#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yrl h TYR 4 N 0.00 -0.43 -1.00 1.20 5.03 -1.77 -2.90 116.97 117.11 1yrl h TYR 4 Ca 0.00 -0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.44 1yrl h TYR 4 Cb 0.00 0.14 -0.09 0.00 1.55 0.00 0.00 36.73 38.33 1yrl h TYR 4 CO 0.00 -0.15 0.62 0.35 -1.32 0.00 0.00 178.16 177.66 1yrl h PHE 5 N -0.67 1.11 0.00 -3.82 3.57 -1.84 0.28 116.94 115.58 1yrl h PHE 5 Ca -0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1yrl h PHE 5 Cb 0.47 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1yrl h PHE 5 CO -0.00 0.39 0.00 -0.91 -2.23 0.00 0.00 178.31 175.56 1yrl h ASN 6 N 0.93 0.00 1.45 0.41 2.35 -1.83 -1.65 115.58 117.23 1yrl h ASN 6 Ca 0.52 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.27 1yrl h ASN 6 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1yrl h ASN 6 CO -0.30 0.00 0.00 0.71 -1.65 0.00 0.00 177.43 176.19 1yrl h THR 7 N 0.00 0.00 -3.63 2.81 1.35 -0.23 -3.45 112.91 109.76 1yrl h THR 7 Ca 0.00 -0.61 -0.48 0.00 -0.55 0.00 0.00 66.41 64.77 1yrl h THR 7 Cb 0.16 1.57 0.05 0.00 -1.73 0.00 0.00 68.15 68.19 1yrl h THR 7 CO 0.00 0.00 0.16 -0.76 -0.25 0.00 0.00 175.52 174.67 1yrl s LEU 8 N -5.31 3.38 0.25 3.87 1.43 -0.62 -5.10 118.68 116.57 1yrl s LEU 8 Ca 0.07 0.80 0.08 0.00 -1.03 0.00 0.00 54.13 54.05 1yrl s LEU 8 Cb 0.09 -3.68 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 1yrl s LEU 8 CO 0.58 -0.88 0.11 0.54 0.23 0.00 0.00 176.35 176.92 1yrl s ASN 9 N -4.23 5.10 0.01 2.29 4.22 -1.26 -4.84 114.94 116.22 1yrl s ASN 9 Ca 0.52 -0.41 -0.01 0.00 -2.14 0.00 0.00 52.86 50.81 1yrl s ASN 9 Cb -0.10 -1.17 -0.00 0.00 1.28 0.00 0.00 41.25 41.26 1yrl s ASN 9 CO 0.45 -0.01 0.29 -0.11 -2.04 0.00 0.00 177.10 175.68 1yrl n LEU 10 N -1.00 -0.05 0.02 3.54 -0.00 -1.26 0.43 117.00 118.68 1yrl n LEU 10 Ca -0.07 0.30 -0.12 0.00 -0.00 0.00 0.00 56.01 56.12 1yrl n LEU 10 Cb 0.58 -0.12 -0.05 0.00 -0.00 0.00 0.00 43.42 43.83 1yrl n LEU 10 CO 0.42 -0.18 0.61 -0.09 -0.00 0.00 0.00 177.39 178.16 1yrl h ARG 11 N 0.00 -0.45 -0.92 1.96 2.43 -2.00 -1.47 114.38 113.93 1yrl h ARG 11 Ca 0.01 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.33 1yrl h ARG 11 Cb 0.02 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.60 1yrl h ARG 11 CO -0.04 -0.30 0.59 1.96 -1.51 0.00 0.00 179.97 180.67 1yrl h GLN 12 N -0.47 0.80 0.69 0.20 4.20 -0.41 -2.07 115.11 118.06 1yrl h GLN 12 Ca 0.08 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1yrl h GLN 12 Cb 0.60 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 28.20 1yrl h GLN 12 CO -0.36 0.53 -0.33 1.96 -0.67 0.00 0.00 178.83 179.96 1yrl h GLN 13 N 0.83 -0.90 -0.94 1.46 4.20 0.05 -3.01 115.11 116.79 1yrl h GLN 13 Ca 0.46 0.06 0.25 0.00 0.06 0.00 0.00 58.65 59.48 1yrl h GLN 13 Cb 0.58 0.20 -0.05 0.00 0.30 0.00 0.00 27.48 28.51 1yrl h GLN 13 CO -0.22 -0.57 0.65 -0.07 -0.67 0.00 0.00 178.83 177.95 1yrl h LEU 14 N -1.15 0.18 0.43 1.46 4.07 -1.07 0.28 115.31 119.51 1yrl h LEU 14 Ca -0.10 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.87 1yrl h LEU 14 Cb 0.74 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.48 1yrl h LEU 14 CO 0.16 0.06 -0.21 0.00 -1.08 0.00 0.00 178.44 177.37 1yrl h ALA 15 N 1.57 -0.58 -0.17 1.53 0.00 -1.25 0.32 119.26 120.67 1yrl h ALA 15 Ca 0.47 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 55.03 1yrl h ALA 15 Cb 1.57 0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.60 1yrl h ALA 15 CO -0.10 -0.81 -0.74 0.37 0.00 0.00 0.00 179.25 177.98 1yrl h GLN 16 N -0.62 0.81 -0.06 0.00 5.75 -1.20 -3.16 115.11 116.63 1yrl h GLN 16 Ca -0.06 -0.64 0.02 0.00 -0.15 0.00 0.00 58.65 57.82 1yrl h GLN 16 Cb 0.46 0.13 -0.00 0.00 1.07 0.00 0.00 27.48 29.14 1yrl h GLN 16 CO 0.10 1.25 0.05 1.25 -2.65 0.00 0.00 178.83 178.82 1yrl h LEU 17 N 0.55 0.00 -3.23 -2.39 5.85 -0.44 -2.59 115.31 113.06 1yrl h LEU 17 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1yrl h LEU 17 Cb 1.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.40 1yrl h LEU 17 CO 0.15 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.86 1yrl n GLY 18 N -1.45 2.81 3.61 3.75 0.00 0.09 -3.92 105.19 110.08 1yrl n GLY 18 Ca -0.02 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 1yrl n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yrl s LYS 19 N -2.04 4.03 0.00 1.61 1.02 -0.98 -4.71 119.74 118.67 1yrl s LYS 19 Ca 0.53 0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.67 1yrl s LYS 19 Cb 0.35 -3.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 1yrl s LYS 19 CO 0.23 -0.32 0.00 0.00 -0.92 0.00 0.00 175.35 174.34 1yrl s ARG 21 N 0.00 2.34 0.07 0.00 1.70 -0.80 -4.64 118.95 117.61 1yrl s ARG 21 Ca 0.00 -0.82 -0.30 0.00 -0.47 0.00 0.00 55.73 54.13 1yrl s ARG 21 Cb 0.00 -2.34 -0.06 0.00 -0.57 0.00 0.00 34.95 31.98 1yrl s ARG 21 CO 0.00 0.58 1.18 0.12 -1.08 0.00 0.00 175.30 176.10 1yrl s PHE 22 N -0.91 3.46 0.34 5.89 5.36 -1.26 -1.07 117.98 129.79 1yrl s PHE 22 Ca 0.15 1.34 -0.09 0.00 -0.96 0.00 0.00 56.93 57.37 1yrl s PHE 22 Cb -0.11 -3.39 -0.06 0.00 -0.34 0.00 0.00 43.02 39.11 1yrl s PHE 22 CO 0.05 -1.16 0.68 -1.64 -1.46 0.00 0.00 175.22 171.69 1yrl s MET 23 N 0.94 3.77 0.43 10.12 -1.94 -1.04 -4.94 119.30 126.64 1yrl s MET 23 Ca 0.58 0.34 -0.23 0.00 -1.71 0.00 0.00 55.69 54.67 1yrl s MET 23 Cb -0.29 -2.49 -0.09 0.00 2.01 0.00 0.00 34.83 33.96 1yrl s MET 23 CO 0.30 0.09 1.03 0.20 -0.01 0.00 0.00 175.02 176.63 1yrl s GLY 24 N -2.97 2.63 0.12 -0.03 0.00 -1.26 -4.75 107.32 101.06 1yrl s GLY 24 Ca 0.49 0.63 -0.31 0.00 0.00 0.00 0.00 44.72 45.53 1yrl s GLY 24 CO 0.28 1.01 1.57 3.21 0.00 0.00 0.00 173.10 179.17 1yrl h ARG 25 N 2.17 -0.53 0.00 2.90 3.08 -1.97 -1.42 114.38 118.62 1yrl h ARG 25 Ca -0.49 0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1yrl h ARG 25 Cb 1.21 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1yrl h ARG 25 CO 0.61 -0.35 0.00 -0.40 -1.07 0.00 0.00 179.97 178.76 1yrl n ASP 26 N -5.44 0.00 0.00 7.04 3.85 -1.26 -2.25 116.55 118.48 1yrl n ASP 26 Ca -0.05 0.41 0.06 0.00 -0.71 0.00 0.00 54.79 54.50 1yrl n ASP 26 Cb 0.37 -0.42 0.28 0.00 -1.35 0.00 0.00 41.12 40.00 1yrl n ASP 26 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1yrl n GLU 27 N -1.42 0.03 -2.60 0.11 1.02 -0.53 -2.77 120.64 114.47 1yrl n GLU 27 Ca 0.01 0.26 -0.28 0.00 -0.02 0.00 0.00 57.16 57.14 1yrl n GLU 27 Cb 0.03 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 29.94 1yrl n GLU 27 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1yrl n PHE 28 N -1.47 3.59 0.02 -0.32 3.01 -0.96 -4.79 117.46 116.55 1yrl n PHE 28 Ca 0.04 -3.35 -0.17 0.00 1.01 0.00 0.00 57.45 54.97 1yrl n PHE 28 Cb 0.14 -0.25 -0.07 0.00 -0.01 0.00 0.00 39.48 39.29 1yrl n PHE 28 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yrl h ALA 29 N 2.73 0.27 0.00 4.37 0.00 -1.76 -3.18 119.26 121.69 1yrl h ALA 29 Ca 0.26 -0.66 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1yrl h ALA 29 Cb 0.76 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1yrl h ALA 29 CO 0.86 0.71 -0.14 -0.44 0.00 0.00 0.00 179.25 180.24 1yrl h ASP 30 N 0.42 0.00 0.00 0.00 3.45 -1.89 -3.48 116.42 114.92 1yrl h ASP 30 Ca -0.09 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.37 1yrl h ASP 30 Cb 1.55 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.32 1yrl h ASP 30 CO 0.18 0.14 0.00 0.61 -1.57 0.00 0.00 179.24 178.60 1yrl n GLY 31 N 0.62 3.44 1.56 2.75 0.00 -1.21 -1.98 105.19 110.36 1yrl n GLY 31 Ca 0.02 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 1yrl n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yrl n ALA 32 N 11.91 4.80 0.49 4.61 0.00 -1.26 -3.87 120.51 137.19 1yrl n ALA 32 Ca 0.00 -3.06 0.11 0.00 0.00 0.00 0.00 53.44 50.49 1yrl n ALA 32 Cb 0.00 -1.00 0.45 0.00 0.00 0.00 0.00 19.45 18.91 1yrl n ALA 32 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1yrl n SER 33 N -1.13 0.55 0.09 0.00 3.41 -0.84 -2.46 113.62 113.24 1yrl n SER 33 Ca 0.43 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.78 1yrl n SER 33 Cb 1.27 -0.74 0.45 0.00 -0.26 0.00 0.00 64.21 64.93 1yrl n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yrl n TYR 34 N -2.08 0.76 0.19 7.33 9.36 -1.26 -3.20 117.16 128.26 1yrl n TYR 34 Ca 0.03 0.24 0.06 0.00 3.32 0.00 0.00 57.90 61.55 1yrl n TYR 34 Cb 0.26 -0.88 -0.09 0.00 -0.63 0.00 0.00 39.34 38.00 1yrl n TYR 34 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1yrl n LEU 35 N -2.14 0.20 -4.56 2.98 7.99 -1.03 -4.93 117.00 115.51 1yrl n LEU 35 Ca 0.05 -0.17 -0.38 0.00 -0.01 0.00 0.00 56.01 55.51 1yrl n LEU 35 Cb 0.38 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.66 1yrl n LEU 35 CO 0.28 0.05 1.93 -1.10 -1.51 0.00 0.00 177.39 177.04 1yrl s GLN 36 N -2.66 2.34 0.00 3.23 -0.21 -1.14 -1.52 119.66 119.71 1yrl s GLN 36 Ca -0.02 1.40 0.00 0.00 0.02 0.00 0.00 55.36 56.77 1yrl s GLN 36 Cb 0.09 -4.52 0.00 0.00 1.00 0.00 0.00 33.01 29.58 1yrl s GLN 36 CO 0.53 -3.01 0.00 0.41 -2.12 0.00 0.00 175.29 171.10 1yrl n GLY 37 N 5.92 1.83 3.14 3.09 0.00 -1.26 -5.03 105.19 112.88 1yrl n GLY 37 Ca 0.33 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.25 1yrl n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yrl s LYS 38 N -0.16 0.75 -0.48 1.61 1.02 -0.57 -5.11 119.74 116.79 1yrl s LYS 38 Ca 0.00 -1.20 -0.29 0.00 0.02 0.00 0.00 55.97 54.50 1yrl s LYS 38 Cb 0.00 -0.19 0.03 0.00 -0.52 0.00 0.00 37.83 37.15 1yrl s LYS 38 CO 0.00 -0.01 1.16 0.15 -0.92 0.00 0.00 175.35 175.73 1yrl s LYS 39 N -3.35 3.70 -0.39 1.68 -0.14 -1.26 -4.31 119.74 115.66 1yrl s LYS 39 Ca 0.07 0.56 -0.10 0.00 -1.36 0.00 0.00 55.97 55.14 1yrl s LYS 39 Cb 0.02 -3.92 0.05 0.00 -1.68 0.00 0.00 37.83 32.30 1yrl s LYS 39 CO -0.04 -1.42 0.23 0.08 -0.76 0.00 0.00 175.35 173.43 1yrl s VAL 40 N 4.55 4.35 -0.09 3.17 1.01 -0.67 -0.88 120.40 131.84 1yrl s VAL 40 Ca 0.48 -1.15 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1yrl s VAL 40 Cb -0.07 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1yrl s VAL 40 CO 0.32 -0.37 -0.04 -0.69 0.00 0.00 0.00 175.10 174.32 1yrl s VAL 41 N 1.48 3.93 -0.32 2.92 1.01 -0.31 -1.16 120.40 127.96 1yrl s VAL 41 Ca 0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1yrl s VAL 41 Cb -0.21 -2.65 0.07 0.00 0.00 0.00 0.00 36.38 33.58 1yrl s VAL 41 CO 0.04 0.57 0.03 -0.63 0.00 0.00 0.00 175.10 175.12 1yrl s ILE 42 N -0.54 2.91 0.10 2.22 1.01 0.44 -1.00 121.20 126.35 1yrl s ILE 42 Ca 0.08 -1.60 -0.31 0.00 0.00 0.00 0.00 60.65 58.83 1yrl s ILE 42 Cb -0.12 -2.77 -0.07 0.00 0.01 0.00 0.00 42.46 39.51 1yrl s ILE 42 CO 0.02 -0.24 1.23 -0.69 0.00 0.00 0.00 174.94 175.26 1yrl s VAL 43 N 1.19 3.78 0.27 2.92 1.01 -0.45 -1.89 120.40 127.23 1yrl s VAL 43 Ca -0.02 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.29 1yrl s VAL 43 Cb -0.20 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1yrl s VAL 43 CO -0.02 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1yrl n GLY 44 N 3.00 -4.17 3.14 4.51 0.00 -0.63 -2.83 105.19 108.20 1yrl n GLY 44 Ca 0.08 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 1yrl n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yrl n GLY 46 N 3.85 2.75 0.44 0.00 0.00 -1.26 -4.32 105.19 106.65 1yrl n GLY 46 Ca -0.20 -1.36 -0.14 0.00 0.00 0.00 0.00 46.02 44.32 1yrl n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yrl h ALA 47 N 1.62 -0.78 -0.22 4.61 0.00 -1.99 -0.04 119.26 122.47 1yrl h ALA 47 Ca -0.05 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1yrl h ALA 47 Cb 0.22 0.84 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 1yrl h ALA 47 CO 0.07 -1.02 -0.16 0.37 0.00 0.00 0.00 179.25 178.51 1yrl h GLN 48 N -0.61 -0.15 0.54 0.00 4.15 -1.96 -2.50 115.11 114.59 1yrl h GLN 48 Ca 0.04 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 1yrl h GLN 48 Cb 0.68 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.39 1yrl h GLN 48 CO -0.35 -0.10 -0.50 0.78 -1.93 0.00 0.00 178.83 176.73 1yrl h GLY 49 N -0.16 -1.28 -0.01 2.39 0.00 -1.75 -2.72 103.07 99.54 1yrl h GLY 49 Ca 0.13 0.59 0.21 0.00 0.00 0.00 0.00 47.33 48.26 1yrl h GLY 49 CO -0.31 -0.39 0.58 -2.00 0.00 0.00 0.00 176.54 174.42 1yrl h LEU 50 N -1.03 0.70 0.36 3.11 5.85 -0.98 -0.85 115.31 122.46 1yrl h LEU 50 Ca -0.07 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1yrl h LEU 50 Cb 0.88 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 1yrl h LEU 50 CO -0.04 0.18 -0.48 0.78 -0.34 0.00 0.00 178.44 178.55 1yrl h ASN 51 N 0.66 -1.34 -0.09 1.25 4.21 -1.14 0.28 115.58 119.39 1yrl h ASN 51 Ca 0.60 0.12 0.00 0.00 1.21 0.00 0.00 56.30 58.24 1yrl h ASN 51 Cb 1.04 0.46 -0.01 0.00 -1.12 0.00 0.00 38.32 38.70 1yrl h ASN 51 CO -0.43 -0.60 0.06 1.56 -1.29 0.00 0.00 177.43 176.72 1yrl h GLN 52 N -0.87 0.11 -0.28 0.81 4.20 -1.15 -2.20 115.11 115.73 1yrl h GLN 52 Ca -0.03 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.74 1yrl h GLN 52 Cb 0.80 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.48 1yrl h GLN 52 CO -0.13 0.08 -0.20 0.78 -0.67 0.00 0.00 178.83 178.69 1yrl h GLY 53 N 0.12 -0.03 1.50 3.46 0.00 -1.02 0.22 103.07 107.33 1yrl h GLY 53 Ca 0.04 0.25 0.07 0.00 0.00 0.00 0.00 47.33 47.69 1yrl h GLY 53 CO -0.01 -0.19 0.18 1.41 0.00 0.00 0.00 176.54 177.93 1yrl h LEU 54 N -0.18 0.00 0.07 3.11 3.38 -0.78 0.34 115.31 121.25 1yrl h LEU 54 Ca 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1yrl h LEU 54 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1yrl h LEU 54 CO -0.39 0.00 -0.03 0.78 0.09 0.00 0.00 178.44 178.89 1yrl h ASN 55 N 0.00 -0.08 0.37 -0.43 4.21 -0.17 -2.98 115.58 116.50 1yrl h ASN 55 Ca 0.12 -0.55 -0.03 0.00 1.21 0.00 0.00 56.30 57.05 1yrl h ASN 55 Cb 0.47 0.02 -0.00 0.00 -1.12 0.00 0.00 38.32 37.69 1yrl h ASN 55 CO -0.00 0.60 -0.13 0.24 -1.29 0.00 0.00 177.43 176.84 1yrl h MET 56 N -0.85 0.00 0.36 0.81 2.86 -0.34 -2.31 114.93 115.47 1yrl h MET 56 Ca -0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1yrl h MET 56 Cb 0.62 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 1yrl h MET 56 CO 0.02 0.13 -0.25 -0.09 1.06 0.00 0.00 176.91 177.78 1yrl h ARG 57 N 0.00 -0.56 0.00 1.72 9.65 -0.33 -1.61 114.38 123.24 1yrl h ARG 57 Ca -0.00 0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1yrl h ARG 57 Cb 0.36 0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 29.07 1yrl h ARG 57 CO 0.02 -0.38 -0.00 -0.44 2.80 0.00 0.00 179.97 181.97 1yrl h ASP 58 N -0.59 0.00 0.69 -3.80 3.32 -1.37 0.19 116.42 114.86 1yrl h ASP 58 Ca -0.05 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 1yrl h ASP 58 Cb 0.48 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1yrl h ASP 58 CO 0.03 0.00 -0.39 0.28 -1.72 0.00 0.00 179.24 177.44 1yrl h SER 59 N 0.00 0.00 0.00 6.45 0.02 -0.92 -3.47 113.55 115.63 1yrl h SER 59 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1yrl h SER 59 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1yrl h SER 59 CO 0.00 0.39 0.00 0.61 -1.14 0.00 0.00 176.83 176.69 1yrl n GLY 60 N 0.05 0.78 2.83 -3.77 0.00 0.65 -5.05 105.19 100.68 1yrl n GLY 60 Ca -0.01 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 1yrl n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yrl s LEU 61 N 0.00 1.53 -0.47 0.99 1.02 -1.00 -4.66 118.68 116.10 1yrl s LEU 61 Ca 0.00 0.01 -0.27 0.00 0.02 0.00 0.00 54.13 53.89 1yrl s LEU 61 Cb 0.00 -0.06 -0.02 0.00 0.02 0.00 0.00 46.19 46.13 1yrl s LEU 61 CO 0.00 -0.06 1.81 -0.62 0.02 0.00 0.00 176.35 177.50 1yrl s ASP 62 N 0.54 5.60 -0.04 2.29 2.15 -1.26 -4.52 116.67 121.43 1yrl s ASP 62 Ca -0.05 0.82 0.05 0.00 0.43 0.00 0.00 52.55 53.80 1yrl s ASP 62 Cb -0.07 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 40.00 1yrl s ASP 62 CO -0.01 -2.03 -0.18 -0.63 -0.17 0.00 0.00 175.17 172.15 1yrl s ILE 63 N 7.92 2.76 0.11 4.11 1.01 -1.26 -1.66 121.20 134.19 1yrl s ILE 63 Ca 0.73 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 60.55 1yrl s ILE 63 Cb -0.17 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 1yrl s ILE 63 CO 0.27 0.59 -0.04 -0.44 0.00 0.00 0.00 174.94 175.32 1yrl s SER 64 N -0.69 0.99 -0.24 3.58 0.01 -0.31 -4.30 113.70 112.74 1yrl s SER 64 Ca 0.11 -1.05 0.02 0.00 1.31 0.00 0.00 55.95 56.34 1yrl s SER 64 Cb -0.10 0.13 0.05 0.00 0.21 0.00 0.00 66.02 66.31 1yrl s SER 64 CO 0.00 -0.53 -0.12 -0.31 0.41 0.00 0.00 173.24 172.69 1yrl s TYR 65 N -3.71 3.05 -0.37 2.43 1.51 -0.37 -0.42 117.35 119.47 1yrl s TYR 65 Ca 0.14 -2.10 -0.24 0.00 -1.01 0.00 0.00 57.07 53.87 1yrl s TYR 65 Cb 0.06 -1.88 0.01 0.00 -0.11 0.00 0.00 41.96 40.04 1yrl s TYR 65 CO -0.03 -0.85 0.81 0.00 -1.11 0.00 0.00 175.55 174.37 1yrl s ALA 66 N 1.18 3.42 0.34 3.71 0.00 -0.79 -2.44 121.76 127.17 1yrl s ALA 66 Ca -0.05 -0.63 0.07 0.00 0.00 0.00 0.00 51.96 51.35 1yrl s ALA 66 Cb -0.18 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 1yrl s ALA 66 CO -0.07 -1.53 0.31 -0.51 0.00 0.00 0.00 175.76 173.96 1yrl s LEU 67 N 3.19 3.62 0.95 0.00 1.43 -1.02 -1.61 118.68 125.24 1yrl s LEU 67 Ca 0.33 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 1yrl s LEU 67 Cb -0.13 -2.25 0.16 0.00 0.03 0.00 0.00 46.19 44.00 1yrl s LEU 67 CO 0.18 -0.37 1.09 -0.60 0.23 0.00 0.00 176.35 176.88 1yrl s ARG 68 N -4.01 0.84 0.10 1.70 6.06 -1.26 -4.05 118.95 118.32 1yrl s ARG 68 Ca 0.41 0.99 -0.28 0.00 -2.50 0.00 0.00 55.73 54.35 1yrl s ARG 68 Cb -0.06 -1.75 -0.12 0.00 0.06 0.00 0.00 34.95 33.08 1yrl s ARG 68 CO 0.27 -2.58 1.64 1.57 -2.50 0.00 0.00 175.30 173.71 1yrl h LYS 69 N -1.80 -0.53 -0.29 5.12 2.10 -1.99 -3.06 116.57 116.12 1yrl h LYS 69 Ca -0.50 0.04 -0.03 0.00 -2.00 0.00 0.00 60.65 58.16 1yrl h LYS 69 Cb 1.29 0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.73 1yrl h LYS 69 CO 0.51 -0.36 0.07 0.93 -2.00 0.00 0.00 179.45 178.61 1yrl h GLU 70 N -0.55 0.46 0.00 0.07 3.07 -2.00 -2.92 114.58 112.70 1yrl h GLU 70 Ca -0.01 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 1yrl h GLU 70 Cb 0.51 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1yrl h GLU 70 CO -0.06 0.54 0.44 0.00 -1.40 0.00 0.00 179.01 178.53 1yrl h ALA 71 N 0.90 1.43 0.00 3.43 0.00 -1.91 0.14 119.26 123.25 1yrl h ALA 71 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.68 1yrl h ALA 71 Cb 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1yrl h ALA 71 CO 0.00 -0.43 -2.04 -0.89 0.00 0.00 0.00 179.25 175.90 1yrl n ILE 72 N -2.75 1.45 -0.04 0.00 5.41 -1.11 -2.06 119.36 120.27 1yrl n ILE 72 Ca -0.02 -0.82 -0.13 0.00 1.00 0.00 0.00 62.75 62.78 1yrl n ILE 72 Cb 0.47 -0.72 -0.08 0.00 -0.71 0.00 0.00 39.64 38.60 1yrl n ILE 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1yrl h ALA 73 N 1.04 0.16 -0.87 -1.39 0.00 -0.73 -3.22 119.26 114.25 1yrl h ALA 73 Ca -0.41 -0.31 -0.47 0.00 0.00 0.00 0.00 54.91 53.73 1yrl h ALA 73 Cb 2.09 -0.03 -0.27 0.00 0.00 0.00 0.00 17.79 19.58 1yrl h ALA 73 CO 0.05 0.02 0.51 -0.85 0.00 0.00 0.00 179.25 178.98 1yrl n GLU 74 N -4.62 2.21 -3.55 0.00 0.28 -0.82 -4.97 120.64 109.17 1yrl n GLU 74 Ca -0.07 -3.08 -0.09 0.00 -0.16 0.00 0.00 57.16 53.77 1yrl n GLU 74 Cb 0.34 -2.12 0.00 0.00 1.43 0.00 0.00 31.44 31.10 1yrl n GLU 74 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1yrl n LYS 75 N -1.13 -0.75 -0.17 3.44 5.02 -1.22 -4.87 118.16 118.48 1yrl n LYS 75 Ca 0.55 -0.28 -0.22 0.00 -2.02 0.00 0.00 58.31 56.34 1yrl n LYS 75 Cb 1.48 0.10 0.22 0.00 -0.02 0.00 0.00 35.03 36.80 1yrl n LYS 75 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1yrl n ARG 76 N -1.57 -4.09 -0.03 1.97 1.74 -0.87 -4.41 116.66 109.39 1yrl n ARG 76 Ca -0.03 -1.07 -0.09 0.00 -0.77 0.00 0.00 57.85 55.88 1yrl n ARG 76 Cb 0.12 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.12 1yrl n ARG 76 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yrl h ALA 77 N -3.22 -0.25 -0.71 7.54 0.00 -1.89 -1.43 119.26 119.29 1yrl h ALA 77 Ca -0.29 0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.80 1yrl h ALA 77 Cb 0.98 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 19.25 1yrl h ALA 77 CO 0.17 -0.73 0.28 0.66 0.00 0.00 0.00 179.25 179.63 1yrl h SER 78 N -0.32 0.28 0.41 0.00 4.64 -1.91 -0.44 113.55 116.20 1yrl h SER 78 Ca 0.12 0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.52 1yrl h SER 78 Cb 0.51 0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1yrl h SER 78 CO -0.38 0.13 -0.23 -0.25 -0.87 0.00 0.00 176.83 175.23 1yrl h TRP 79 N 0.45 -0.59 0.13 4.77 7.01 -1.63 -2.14 115.95 123.95 1yrl h TRP 79 Ca 0.38 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.38 1yrl h TRP 79 Cb 0.54 0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.77 1yrl h TRP 79 CO -0.16 -0.36 -0.39 0.00 -2.79 0.00 0.00 178.44 174.74 1yrl h ARG 80 N -0.59 -0.57 -0.71 2.65 3.08 -0.58 -1.30 114.38 116.36 1yrl h ARG 80 Ca -0.05 0.04 0.16 0.00 0.07 0.00 0.00 59.98 60.20 1yrl h ARG 80 Cb 0.47 0.13 -0.12 0.00 0.08 0.00 0.00 29.97 30.53 1yrl h ARG 80 CO 0.06 -0.38 0.01 0.87 -1.07 0.00 0.00 179.97 179.47 1yrl h LYS 81 N -0.59 0.11 0.00 0.04 1.57 -1.10 0.46 116.57 117.06 1yrl h LYS 81 Ca -0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1yrl h LYS 81 Cb 0.58 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1yrl h LYS 81 CO -0.19 0.08 0.00 0.00 -0.57 0.00 0.00 179.45 178.76 1yrl n ALA 82 N -2.88 -0.41 -0.26 3.86 0.00 -0.81 -3.54 120.51 116.47 1yrl n ALA 82 Ca 0.12 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.63 1yrl n ALA 82 Cb 0.43 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.09 1yrl n ALA 82 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1yrl h THR 83 N 0.00 0.43 -0.52 0.00 1.35 -1.13 -0.50 112.91 112.54 1yrl h THR 83 Ca 0.00 -0.08 0.15 0.00 -0.55 0.00 0.00 66.41 65.93 1yrl h THR 83 Cb 0.00 0.19 -0.02 0.00 -1.73 0.00 0.00 68.15 66.58 1yrl h THR 83 CO 0.00 0.04 0.46 -0.33 -0.25 0.00 0.00 175.52 175.44 1yrl h GLU 84 N 0.22 0.00 -0.10 4.72 5.08 -1.00 0.36 114.58 123.86 1yrl h GLU 84 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1yrl h GLU 84 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1yrl h GLU 84 CO -0.58 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.52 1yrl n ASN 85 N -3.98 1.56 0.00 1.42 3.02 -0.21 -4.89 115.26 112.18 1yrl n ASN 85 Ca 0.10 -1.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.04 1yrl n ASN 85 Cb 0.67 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 1yrl n ASN 85 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yrl n GLY 86 N 1.15 0.50 3.78 7.41 0.00 0.13 -5.04 105.19 113.11 1yrl n GLY 86 Ca 0.17 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 1yrl n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yrl s PHE 87 N -2.00 3.71 -0.16 1.61 0.08 -1.16 -5.02 117.98 115.04 1yrl s PHE 87 Ca 0.00 1.18 -0.29 0.00 0.12 0.00 0.00 56.93 57.93 1yrl s PHE 87 Cb 0.00 -2.55 -0.03 0.00 -0.57 0.00 0.00 43.02 39.87 1yrl s PHE 87 CO 0.00 0.42 1.58 0.21 -0.10 0.00 0.00 175.22 177.33 1yrl s LYS 88 N -0.44 3.97 0.24 0.44 2.47 -1.26 -4.20 119.74 120.96 1yrl s LYS 88 Ca 0.29 1.81 0.09 0.00 -1.56 0.00 0.00 55.97 56.61 1yrl s LYS 88 Cb -0.18 -3.98 -0.04 0.00 -1.46 0.00 0.00 37.83 32.16 1yrl s LYS 88 CO 0.17 -1.08 0.00 0.14 0.16 0.00 0.00 175.35 174.74 1yrl s VAL 89 N 4.63 3.55 0.00 4.02 -7.23 -1.26 -1.24 120.40 122.86 1yrl s VAL 89 Ca 0.70 -1.78 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 1yrl s VAL 89 Cb -0.27 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 33.80 1yrl s VAL 89 CO 0.27 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 1yrl n GLY 90 N -0.72 1.78 3.79 2.32 0.00 -1.02 -4.91 105.19 106.43 1yrl n GLY 90 Ca -0.07 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 44.95 1yrl n GLY 90 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1yrl s THR 91 N -2.55 2.24 0.10 2.61 -1.32 -1.26 -2.43 115.64 113.02 1yrl s THR 91 Ca 0.00 -1.61 -0.24 0.00 -1.21 0.00 0.00 61.69 58.64 1yrl s THR 91 Cb 0.00 -2.84 -0.11 0.00 -1.51 0.00 0.00 72.50 68.03 1yrl s THR 91 CO 0.00 0.00 1.71 1.88 -2.21 0.00 0.00 174.62 176.00 1yrl h TYR 92 N 1.24 -0.19 -0.08 9.09 0.99 -1.91 -0.97 116.97 125.16 1yrl h TYR 92 Ca -0.42 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.34 1yrl h TYR 92 Cb 1.26 0.08 -0.00 0.00 1.00 0.00 0.00 36.73 39.07 1yrl h TYR 92 CO 0.69 -0.12 0.08 0.93 -0.00 0.00 0.00 178.16 179.74 1yrl h GLU 93 N -0.14 0.00 -0.14 4.88 3.07 -1.96 -1.23 114.58 119.05 1yrl h GLU 93 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1yrl h GLU 93 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1yrl h GLU 93 CO -0.06 0.00 0.00 -0.85 -1.40 0.00 0.00 179.01 176.70 1yrl n GLU 94 N -4.01 1.51 0.00 2.33 0.28 -0.99 -4.65 120.64 115.11 1yrl n GLU 94 Ca -0.01 -1.59 0.00 0.00 -0.16 0.00 0.00 57.16 55.40 1yrl n GLU 94 Cb 0.18 -1.29 0.00 0.00 1.43 0.00 0.00 31.44 31.76 1yrl n GLU 94 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1yrl n LEU 95 N 0.79 0.37 -0.14 -1.84 4.77 -0.40 -4.84 117.00 115.71 1yrl n LEU 95 Ca 0.10 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.04 1yrl n LEU 95 Cb 0.39 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.50 1yrl n LEU 95 CO 0.09 -0.06 0.78 0.40 -1.33 0.00 0.00 177.39 177.28 1yrl h ILE 96 N 0.00 0.56 -3.78 -0.08 2.04 -1.42 -3.37 117.51 111.46 1yrl h ILE 96 Ca 0.00 -0.00 -0.52 0.00 1.00 0.00 0.00 64.86 65.33 1yrl h ILE 96 Cb 0.72 0.55 0.06 0.00 -0.74 0.00 0.00 36.82 37.41 1yrl h ILE 96 CO 0.00 0.00 0.65 -2.16 0.00 0.00 0.00 178.15 176.65 1yrl s PRO 97 N -6.22 4.35 -0.91 2.37 0.04 -1.11 -2.41 135.00 131.11 1yrl s PRO 97 Ca -0.14 2.21 -0.02 0.00 0.04 0.00 0.00 61.00 63.09 1yrl s PRO 97 Cb 0.15 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1yrl s PRO 97 CO 0.71 -0.22 0.31 1.04 0.04 0.00 0.00 177.00 178.88 1yrl n GLN 98 N 1.12 -2.58 -5.07 4.56 1.13 -1.26 -4.96 117.38 110.32 1yrl n GLN 98 Ca 0.01 0.53 -0.32 0.00 -1.94 0.00 0.00 57.00 55.28 1yrl n GLN 98 Cb 0.42 -4.60 -0.17 0.00 0.11 0.00 0.00 30.24 26.00 1yrl n GLN 98 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1yrl s ALA 99 N -2.86 2.22 0.09 -1.58 0.00 -1.01 -4.75 121.76 113.86 1yrl s ALA 99 Ca 0.15 -0.99 -0.13 0.00 0.00 0.00 0.00 51.96 50.99 1yrl s ALA 99 Cb -0.07 -0.88 -0.18 0.00 0.00 0.00 0.00 23.12 21.99 1yrl s ALA 99 CO 0.19 0.22 1.26 -0.44 0.00 0.00 0.00 175.76 176.98 1yrl h ASP 100 N 6.85 0.91 -3.25 0.00 3.32 -1.33 -3.42 116.42 119.49 1yrl h ASP 100 Ca -0.22 -0.66 -0.46 0.00 0.02 0.00 0.00 57.03 55.70 1yrl h ASP 100 Cb 1.23 -0.27 -0.38 0.00 0.22 0.00 0.00 39.33 40.12 1yrl h ASP 100 CO 0.49 1.46 -0.77 -0.22 -1.72 0.00 0.00 179.24 178.48 1yrl s LEU 101 N -8.25 0.76 -0.50 1.55 2.96 -0.94 0.63 118.68 114.90 1yrl s LEU 101 Ca -0.10 -0.24 -0.09 0.00 -0.22 0.00 0.00 54.13 53.48 1yrl s LEU 101 Cb 0.08 -0.52 0.13 0.00 0.50 0.00 0.00 46.19 46.38 1yrl s LEU 101 CO 0.91 -0.20 0.38 -0.69 -1.32 0.00 0.00 176.35 175.42 1yrl s VAL 102 N 1.92 4.26 -0.46 1.68 1.01 0.11 -1.16 120.40 127.76 1yrl s VAL 102 Ca 0.04 -1.90 -0.27 0.00 0.00 0.00 0.00 61.98 59.85 1yrl s VAL 102 Cb -0.13 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.48 1yrl s VAL 102 CO -0.06 -0.80 1.03 -0.63 0.00 0.00 0.00 175.10 174.64 1yrl s ILE 103 N 1.21 4.35 -0.97 2.22 1.01 -0.17 -1.73 121.20 127.12 1yrl s ILE 103 Ca 0.07 1.00 -0.19 0.00 0.00 0.00 0.00 60.65 61.54 1yrl s ILE 103 Cb -0.25 -4.52 0.12 0.00 0.01 0.00 0.00 42.46 37.83 1yrl s ILE 103 CO -0.01 -0.91 1.20 0.21 0.00 0.00 0.00 174.94 175.42 1yrl s ASN 104 N 2.34 6.65 -1.03 3.58 2.47 -1.05 -1.35 114.94 126.56 1yrl s ASN 104 Ca 0.42 -2.06 -0.02 0.00 0.42 0.00 0.00 52.86 51.63 1yrl s ASN 104 Cb -0.09 -2.42 0.31 0.00 -1.45 0.00 0.00 41.25 37.61 1yrl s ASN 104 CO 0.29 -1.09 1.60 0.18 -3.72 0.00 0.00 177.10 174.35 1yrl n LEU 105 N 6.77 6.70 -4.35 3.21 4.77 -1.13 -4.65 117.00 128.31 1yrl n LEU 105 Ca 0.26 -5.32 -0.19 0.00 -0.03 0.00 0.00 56.01 50.73 1yrl n LEU 105 Cb 0.49 -1.18 -0.10 0.00 -2.33 0.00 0.00 43.42 40.29 1yrl n LEU 105 CO 0.53 1.89 -0.45 0.42 -1.33 0.00 0.00 177.39 178.46 1yrl s THR 106 N -3.54 1.80 0.47 -5.08 -4.23 -1.26 -4.63 115.64 99.17 1yrl s THR 106 Ca 0.35 -2.20 -0.23 0.00 -1.18 0.00 0.00 61.69 58.43 1yrl s THR 106 Cb 0.12 -2.04 -0.08 0.00 1.34 0.00 0.00 72.50 71.84 1yrl s THR 106 CO -0.01 -0.56 1.15 -0.81 -0.54 0.00 0.00 174.62 173.85 1yrl n PRO 107 N -0.33 1.53 -0.14 3.99 -0.04 -1.26 -4.74 135.00 134.01 1yrl n PRO 107 Ca -0.08 0.55 -0.06 0.00 -0.04 0.00 0.00 63.50 63.87 1yrl n PRO 107 Cb 0.60 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 1yrl n PRO 107 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1yrl h ASP 108 N 1.53 -0.97 -1.48 3.54 3.32 -1.99 -0.96 116.42 119.40 1yrl h ASP 108 Ca -0.47 0.19 0.45 0.00 0.02 0.00 0.00 57.03 57.22 1yrl h ASP 108 Cb 1.32 0.48 -0.10 0.00 0.22 0.00 0.00 39.33 41.26 1yrl h ASP 108 CO 0.57 -0.29 1.02 0.50 -1.72 0.00 0.00 179.24 179.31 1yrl h LYS 109 N -0.19 0.06 -0.02 3.56 3.64 -2.03 0.48 116.57 122.07 1yrl h LYS 109 Ca 0.20 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1yrl h LYS 109 Cb 0.52 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1yrl h LYS 109 CO -0.56 0.04 -0.18 1.04 -2.27 0.00 0.00 179.45 177.52 1yrl n GLN 110 N -4.36 1.59 -0.06 1.90 6.02 -0.43 -4.69 117.38 117.35 1yrl n GLN 110 Ca 0.36 -1.25 -0.12 0.00 -0.01 0.00 0.00 57.00 55.99 1yrl n GLN 110 Cb 1.54 -1.34 -0.08 0.00 1.02 0.00 0.00 30.24 31.38 1yrl n GLN 110 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1yrl h HIS 111 N 2.84 -1.37 -0.48 1.08 3.86 0.65 -0.67 115.15 121.06 1yrl h HIS 111 Ca 0.00 0.06 0.05 0.00 -1.16 0.00 0.00 60.37 59.32 1yrl h HIS 111 Cb 0.69 0.62 -0.08 0.00 1.06 0.00 0.00 27.41 29.70 1yrl h HIS 111 CO 0.00 -0.43 -0.53 1.03 0.86 0.00 0.00 177.93 178.86 1yrl h SER 112 N -0.41 -1.79 -0.91 2.45 0.87 -1.84 -0.56 113.55 111.36 1yrl h SER 112 Ca 0.04 0.24 0.12 0.00 -1.23 0.00 0.00 61.79 60.96 1yrl h SER 112 Cb 0.53 0.75 -0.07 0.00 -0.44 0.00 0.00 62.40 63.16 1yrl h SER 112 CO -0.42 -0.35 0.58 0.44 -0.53 0.00 0.00 176.83 176.55 1yrl h ASP 113 N -0.31 0.75 0.32 6.23 5.19 -1.83 0.48 116.42 127.26 1yrl h ASP 113 Ca 0.08 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 1yrl h ASP 113 Cb 0.53 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.92 1yrl h ASP 113 CO -0.61 0.41 -0.19 0.58 -3.12 0.00 0.00 179.24 176.31 1yrl h VAL 114 N 0.81 0.61 -0.02 -1.35 2.07 0.46 -2.82 116.25 116.01 1yrl h VAL 114 Ca 0.44 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.86 1yrl h VAL 114 Cb 0.56 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1yrl h VAL 114 CO -0.20 0.00 -0.47 -0.37 0.02 0.00 0.00 177.57 176.54 1yrl h VAL 115 N -0.48 1.34 0.00 2.57 -1.51 -0.98 -2.06 116.25 115.13 1yrl h VAL 115 Ca -0.04 -1.64 0.00 0.00 -1.23 0.00 0.00 66.70 63.80 1yrl h VAL 115 Cb 0.39 1.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 1yrl h VAL 115 CO 0.04 0.47 0.00 0.54 -1.23 0.00 0.00 177.57 177.40 1yrl n ARG 116 N -3.98 0.47 0.00 5.19 1.74 0.12 -1.96 116.66 118.25 1yrl n ARG 116 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1yrl n ARG 116 Cb 0.50 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 1yrl n ARG 116 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1yrl n THR 117 N -0.04 0.00 0.06 0.55 -2.24 -1.04 -4.89 114.28 106.67 1yrl n THR 117 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 1yrl n THR 117 Cb 0.07 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.16 1yrl n THR 117 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1yrl h VAL 118 N 0.00 1.17 0.35 2.28 2.07 -0.80 -3.37 116.25 117.95 1yrl h VAL 118 Ca 0.00 -2.82 -0.00 0.00 0.82 0.00 0.00 66.70 64.70 1yrl h VAL 118 Cb 0.00 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 1yrl h VAL 118 CO 0.00 0.81 -0.34 1.56 0.02 0.00 0.00 177.57 179.62 1yrl h GLN 119 N 0.06 -0.69 -1.07 1.57 4.20 -1.68 -1.92 115.11 115.59 1yrl h GLN 119 Ca -0.23 0.05 0.34 0.00 0.06 0.00 0.00 58.65 58.86 1yrl h GLN 119 Cb 2.00 0.16 -0.14 0.00 0.30 0.00 0.00 27.48 29.80 1yrl h GLN 119 CO 0.16 -0.46 0.64 -1.35 -0.67 0.00 0.00 178.83 177.15 1yrl h PRO 120 N -0.72 0.28 0.00 1.46 0.11 -1.83 0.44 132.00 131.74 1yrl h PRO 120 Ca -0.02 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1yrl h PRO 120 Cb 0.64 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1yrl h PRO 120 CO -0.05 0.19 -0.25 -0.07 -0.21 0.00 0.00 178.00 177.60 1yrl h LEU 121 N 0.29 0.00 -9.65 2.35 3.38 -1.63 -3.46 115.31 106.60 1yrl h LEU 121 Ca 0.73 -0.02 -0.52 0.00 0.09 0.00 0.00 57.88 58.16 1yrl h LEU 121 Cb 1.83 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.61 1yrl h LEU 121 CO -0.52 0.01 0.66 -0.04 0.09 0.00 0.00 178.44 178.64 1yrl s MET 122 N -3.22 4.38 0.22 1.13 -1.94 0.15 -2.74 119.30 117.28 1yrl s MET 122 Ca 0.06 2.05 -0.04 0.00 -1.71 0.00 0.00 55.69 56.05 1yrl s MET 122 Cb 0.08 -3.21 0.06 0.00 2.01 0.00 0.00 34.83 33.76 1yrl s MET 122 CO 0.69 -0.29 0.18 0.36 -0.01 0.00 0.00 175.02 175.94 1yrl n LYS 123 N 2.93 -1.74 -3.31 2.03 2.85 -1.26 -4.97 118.16 114.68 1yrl n LYS 123 Ca 0.07 -0.28 -0.38 0.00 -1.05 0.00 0.00 58.31 56.66 1yrl n LYS 123 Cb 0.43 -0.30 -0.06 0.00 -0.65 0.00 0.00 35.03 34.45 1yrl n LYS 123 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1yrl s ASP 124 N -2.07 6.95 0.00 -5.58 -1.08 -1.26 -3.77 116.67 109.86 1yrl s ASP 124 Ca 0.12 1.13 0.00 0.00 -0.52 0.00 0.00 52.55 53.28 1yrl s ASP 124 Cb -0.01 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 39.12 1yrl s ASP 124 CO 0.09 0.22 0.00 0.61 0.52 0.00 0.00 175.17 176.62 1yrl n GLY 125 N 2.06 1.36 3.75 2.66 0.00 -1.25 -5.02 105.19 108.75 1yrl n GLY 125 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1yrl n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yrl s ALA 126 N -3.30 2.37 0.02 4.61 0.00 -1.25 -4.69 121.76 119.53 1yrl s ALA 126 Ca 0.00 0.80 0.02 0.00 0.00 0.00 0.00 51.96 52.78 1yrl s ALA 126 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1yrl s ALA 126 CO 0.00 -1.43 0.02 0.00 0.00 0.00 0.00 175.76 174.35 1yrl s ALA 127 N -1.99 3.34 -0.29 0.00 0.00 0.21 -2.17 121.76 120.86 1yrl s ALA 127 Ca 0.73 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.74 1yrl s ALA 127 Cb -0.26 -1.35 0.08 0.00 0.00 0.00 0.00 23.12 21.59 1yrl s ALA 127 CO 0.40 0.67 -0.04 -1.17 0.00 0.00 0.00 175.76 175.62 1yrl s LEU 128 N -1.80 3.84 0.66 0.00 2.96 0.89 0.05 118.68 125.29 1yrl s LEU 128 Ca 0.22 -1.67 -0.04 0.00 -0.22 0.00 0.00 54.13 52.42 1yrl s LEU 128 Cb -0.12 -1.53 0.06 0.00 0.50 0.00 0.00 46.19 45.11 1yrl s LEU 128 CO 0.13 -0.27 0.94 -0.83 -1.32 0.00 0.00 176.35 175.01 1yrl s GLY 129 N 1.06 1.75 0.29 7.98 0.00 -0.71 -2.36 107.32 115.33 1yrl s GLY 129 Ca -0.01 -1.15 -0.02 0.00 0.00 0.00 0.00 44.72 43.55 1yrl s GLY 129 CO -0.07 -0.75 0.41 -1.72 0.00 0.00 0.00 173.10 170.97 1yrl n TYR 130 N -2.75 -1.31 -1.17 1.90 4.02 -0.89 -2.52 117.16 114.44 1yrl n TYR 130 Ca 0.09 -1.94 0.00 0.00 -0.01 0.00 0.00 57.90 56.04 1yrl n TYR 130 Cb 0.60 0.47 0.00 0.00 -0.02 0.00 0.00 39.34 40.39 1yrl n TYR 130 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1yrl n SER 131 N -1.70 0.00 -3.65 7.72 7.64 -1.26 -2.03 113.62 120.33 1yrl n SER 131 Ca 0.00 -1.00 -0.00 0.00 1.01 0.00 0.00 58.87 58.88 1yrl n SER 131 Cb 0.49 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.62 1yrl n SER 131 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1yrl s HIS 132 N 0.00 -0.11 -0.32 1.43 5.65 -1.26 -4.63 115.29 116.05 1yrl s HIS 132 Ca 0.00 0.23 0.03 0.00 0.25 0.00 0.00 55.06 55.57 1yrl s HIS 132 Cb 0.00 0.22 0.47 0.00 -1.18 0.00 0.00 32.58 32.09 1yrl s HIS 132 CO 0.00 -0.05 1.65 0.41 -0.65 0.00 0.00 174.74 176.10 1yrl n GLY 133 N 2.57 3.77 0.29 1.59 0.00 -1.26 -4.44 105.19 107.71 1yrl n GLY 133 Ca -0.15 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1yrl n GLY 133 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1yrl h PHE 134 N 0.72 0.62 0.61 1.61 3.04 -1.97 0.15 116.94 121.72 1yrl h PHE 134 Ca 0.45 -0.04 -0.03 0.00 3.98 0.00 0.00 57.97 62.33 1yrl h PHE 134 Cb 2.28 -0.19 0.01 0.00 2.56 0.00 0.00 35.95 40.61 1yrl h PHE 134 CO 1.12 0.53 -0.29 -0.97 -2.02 0.00 0.00 178.31 176.68 1yrl h ASN 135 N 0.60 -0.69 0.93 0.41 -0.00 -1.89 -0.87 115.58 114.07 1yrl h ASN 135 Ca 0.14 -0.02 -0.05 0.00 -0.00 0.00 0.00 56.30 56.37 1yrl h ASN 135 Cb 0.22 0.18 0.01 0.00 -0.00 0.00 0.00 38.32 38.73 1yrl h ASN 135 CO -0.00 -0.39 -0.45 0.40 -0.00 0.00 0.00 177.43 176.99 1yrl h ILE 136 N -0.97 0.03 0.17 2.57 1.08 -1.68 -2.05 117.51 116.66 1yrl h ILE 136 Ca -0.08 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.31 1yrl h ILE 136 Cb 0.67 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.45 1yrl h ILE 136 CO 0.14 0.00 -0.08 0.58 -0.69 0.00 0.00 178.15 178.10 1yrl h VAL 137 N -1.31 0.93 0.00 1.67 2.07 -1.09 -3.36 116.25 115.16 1yrl h VAL 137 Ca -0.13 -0.92 -0.17 0.00 0.82 0.00 0.00 66.70 66.30 1yrl h VAL 137 Cb 0.96 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 1yrl h VAL 137 CO 0.21 0.20 -0.81 -0.33 0.02 0.00 0.00 177.57 176.85 1yrl h GLU 138 N -0.71 0.00 -6.39 1.57 4.39 -1.28 -2.97 114.58 109.20 1yrl h GLU 138 Ca -0.02 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 58.98 1yrl h GLU 138 Cb 0.50 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 28.91 1yrl h GLU 138 CO 0.04 0.81 -0.79 0.08 -1.16 0.00 0.00 179.01 177.99 1yrl s VAL 139 N -2.91 2.88 0.00 3.13 1.01 -0.77 -4.13 120.40 119.61 1yrl s VAL 139 Ca 0.01 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 1yrl s VAL 139 Cb 0.10 -2.12 -0.10 0.00 0.00 0.00 0.00 36.38 34.27 1yrl s VAL 139 CO 0.79 0.57 1.65 0.61 0.00 0.00 0.00 175.10 178.73 1yrl n GLY 140 N 2.28 1.75 3.66 4.51 0.00 -1.26 -4.15 105.19 111.98 1yrl n GLY 140 Ca -0.17 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 1yrl n GLY 140 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yrl s GLU 141 N 2.04 4.17 -0.36 1.61 2.56 -1.24 -4.96 118.70 122.53 1yrl s GLU 141 Ca 0.24 2.30 -0.13 0.00 0.00 0.00 0.00 54.97 57.38 1yrl s GLU 141 Cb 0.11 -3.99 -0.00 0.00 2.00 0.00 0.00 34.13 32.25 1yrl s GLU 141 CO 0.00 -0.86 0.24 -0.65 -0.56 0.00 0.00 175.26 173.43 1yrl s GLN 142 N 4.01 3.26 -0.03 4.30 -1.52 -1.26 -4.83 119.66 123.60 1yrl s GLN 142 Ca 0.77 -0.80 -0.02 0.00 -1.95 0.00 0.00 55.36 53.36 1yrl s GLN 142 Cb -0.36 -3.80 -0.04 0.00 -0.22 0.00 0.00 33.01 28.59 1yrl s GLN 142 CO 0.33 -0.54 0.11 0.42 -0.25 0.00 0.00 175.29 175.36 1yrl s ILE 143 N 1.67 5.03 -0.20 1.08 1.09 -1.26 -5.03 121.20 123.58 1yrl s ILE 143 Ca 0.05 -0.23 -0.42 0.00 -1.10 0.00 0.00 60.65 58.96 1yrl s ILE 143 Cb -0.18 -3.28 -0.18 0.00 -1.06 0.00 0.00 42.46 37.75 1yrl s ILE 143 CO 0.09 0.40 1.43 0.54 -0.10 0.00 0.00 174.94 177.30 1yrl n ARG 144 N 1.31 0.45 -0.34 2.79 1.74 -1.26 -4.79 116.66 116.56 1yrl n ARG 144 Ca -0.14 0.16 0.36 0.00 -0.77 0.00 0.00 57.85 57.47 1yrl n ARG 144 Cb 0.53 -1.73 0.72 0.00 -1.02 0.00 0.00 32.46 30.96 1yrl n ARG 144 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1yrl h LYS 145 N 4.79 0.00 0.00 5.56 2.10 -1.96 1.12 116.57 128.18 1yrl h LYS 145 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1yrl h LYS 145 Cb 1.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 1yrl h LYS 145 CO 0.84 0.00 -0.62 0.38 -2.00 0.00 0.00 179.45 178.05 1yrl h ASP 146 N 0.00 0.00 -3.40 7.07 2.03 -1.95 -3.41 116.42 116.76 1yrl h ASP 146 Ca 0.59 -0.17 -0.55 0.00 -0.73 0.00 0.00 57.03 56.17 1yrl h ASP 146 Cb 2.55 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 41.02 1yrl h ASP 146 CO -0.01 0.09 0.21 -0.63 -1.03 0.00 0.00 179.24 177.87 1yrl s ILE 147 N -3.19 4.91 -0.15 4.15 1.01 0.39 -3.85 121.20 124.47 1yrl s ILE 147 Ca 0.06 1.71 -0.22 0.00 0.00 0.00 0.00 60.65 62.19 1yrl s ILE 147 Cb 0.13 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1yrl s ILE 147 CO 0.72 0.24 0.69 -0.89 0.00 0.00 0.00 174.94 175.70 1yrl s THR 148 N 0.68 5.01 -0.33 2.92 2.01 -0.92 -4.54 115.64 120.46 1yrl s THR 148 Ca 0.43 1.35 -0.09 0.00 0.31 0.00 0.00 61.69 63.69 1yrl s THR 148 Cb -0.20 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.32 1yrl s THR 148 CO 0.23 0.15 0.15 -0.69 -0.69 0.00 0.00 174.62 173.76 1yrl s VAL 149 N 1.55 4.29 0.50 3.82 1.01 -0.22 -0.07 120.40 131.28 1yrl s VAL 149 Ca 0.33 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1yrl s VAL 149 Cb -0.16 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 1yrl s VAL 149 CO 0.13 -0.08 0.06 0.68 0.00 0.00 0.00 175.10 175.89 1yrl s VAL 150 N 1.53 1.33 -0.11 2.92 -7.23 -1.00 -1.07 120.40 116.76 1yrl s VAL 150 Ca 0.02 -1.92 -0.17 0.00 -1.81 0.00 0.00 61.98 58.10 1yrl s VAL 150 Cb -0.18 -2.25 0.04 0.00 0.56 0.00 0.00 36.38 34.55 1yrl s VAL 150 CO 0.05 0.00 0.43 -0.32 -0.31 0.00 0.00 175.10 174.95 1yrl s MET 151 N -3.92 0.61 -0.31 4.82 1.75 -0.69 -2.08 119.30 119.47 1yrl s MET 151 Ca 0.13 0.35 -0.00 0.00 -1.25 0.00 0.00 55.69 54.92 1yrl s MET 151 Cb 0.02 0.29 0.14 0.00 2.84 0.00 0.00 34.83 38.11 1yrl s MET 151 CO 0.07 -0.12 0.29 0.08 -0.65 0.00 0.00 175.02 174.68 1yrl s VAL 152 N -0.34 -0.32 -0.33 10.11 1.01 -0.86 -1.57 120.40 128.10 1yrl s VAL 152 Ca -0.05 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 1yrl s VAL 152 Cb -0.03 -0.93 0.05 0.00 0.00 0.00 0.00 36.38 35.46 1yrl s VAL 152 CO 0.03 -0.56 0.07 0.00 0.00 0.00 0.00 175.10 174.64 1yrl s ALA 153 N 2.07 2.97 0.42 5.51 0.00 -0.74 -4.51 121.76 127.47 1yrl s ALA 153 Ca 0.11 -1.78 -0.25 0.00 0.00 0.00 0.00 51.96 50.04 1yrl s ALA 153 Cb -0.15 -2.16 -0.08 0.00 0.00 0.00 0.00 23.12 20.73 1yrl s ALA 153 CO -0.26 -1.33 1.24 -2.14 0.00 0.00 0.00 175.76 173.26 1yrl s PRO 154 N 1.34 3.94 -0.90 0.00 0.02 -1.26 -0.95 135.00 137.19 1yrl s PRO 154 Ca -0.03 1.99 -0.07 0.00 0.02 0.00 0.00 61.00 62.91 1yrl s PRO 154 Cb -0.20 -2.66 -0.10 0.00 0.02 0.00 0.00 34.50 31.56 1yrl s PRO 154 CO 0.01 -0.46 3.07 1.63 -0.33 0.00 0.00 177.00 180.92 1yrl n LYS 155 N -0.01 3.13 -3.68 5.54 4.76 0.01 -4.81 118.16 123.09 1yrl n LYS 155 Ca 0.05 -2.03 -0.11 0.00 -2.87 0.00 0.00 58.31 53.35 1yrl n LYS 155 Cb 0.45 -2.43 -0.11 0.00 -1.84 0.00 0.00 35.03 31.10 1yrl n LYS 155 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1yrl h PRO 157 N 7.69 0.80 0.00 0.00 0.13 -1.94 -3.46 132.00 135.22 1yrl h PRO 157 Ca -0.27 -0.51 0.00 0.00 -0.87 0.00 0.00 66.00 64.35 1yrl h PRO 157 Cb 1.14 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1yrl h PRO 157 CO 0.23 1.14 0.00 0.41 -0.23 0.00 0.00 178.00 179.55 1yrl n GLY 158 N 0.36 0.09 0.07 1.56 0.00 -1.26 -4.77 105.19 101.25 1yrl n GLY 158 Ca -0.04 -0.90 0.07 0.00 0.00 0.00 0.00 46.02 45.15 1yrl n GLY 158 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yrl n THR 159 N 0.00 1.59 0.33 2.61 -2.24 -1.26 -4.70 114.28 110.61 1yrl n THR 159 Ca 0.00 -1.86 0.09 0.00 -2.27 0.00 0.00 64.05 60.00 1yrl n THR 159 Cb 0.00 -0.03 0.39 0.00 -2.10 0.00 0.00 70.33 68.59 1yrl n THR 159 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1yrl n GLU 160 N -1.15 0.10 0.10 -0.78 0.00 -1.26 -1.89 120.64 115.76 1yrl n GLU 160 Ca 0.12 0.42 0.02 0.00 0.00 0.00 0.00 57.16 57.72 1yrl n GLU 160 Cb 0.56 -1.73 0.37 0.00 0.00 0.00 0.00 31.44 30.64 1yrl n GLU 160 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 1yrl h VAL 161 N 0.00 1.18 0.08 3.84 3.04 -1.92 0.30 116.25 122.77 1yrl h VAL 161 Ca 0.00 -0.81 -0.29 0.00 -1.01 0.00 0.00 66.70 64.59 1yrl h VAL 161 Cb 0.22 1.19 -0.02 0.00 -2.01 0.00 0.00 31.29 30.67 1yrl h VAL 161 CO 0.00 0.25 -1.57 -0.09 -1.01 0.00 0.00 177.57 175.15 1yrl h ARG 162 N 0.26 0.16 0.17 4.17 9.65 -1.67 -3.26 114.38 123.86 1yrl h ARG 162 Ca 0.05 -0.28 0.01 0.00 -1.10 0.00 0.00 59.98 58.66 1yrl h ARG 162 Cb 0.38 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.05 1yrl h ARG 162 CO 0.02 1.13 -0.18 0.93 2.80 0.00 0.00 179.97 184.67 1yrl h GLU 163 N -0.42 -0.37 0.00 0.20 5.08 -1.35 -1.60 114.58 116.12 1yrl h GLU 163 Ca -0.37 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1yrl h GLU 163 Cb 1.69 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 31.02 1yrl h GLU 163 CO -0.03 -0.25 -0.10 0.93 -1.00 0.00 0.00 179.01 178.56 1yrl h GLU 164 N -0.38 0.00 -0.28 2.33 4.39 -0.60 -2.33 114.58 117.71 1yrl h GLU 164 Ca 0.01 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 1yrl h GLU 164 Cb 0.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1yrl h GLU 164 CO -0.05 0.10 -0.20 -0.92 -1.16 0.00 0.00 179.01 176.78 1yrl h TYR 165 N 0.00 0.74 0.00 4.33 3.20 -1.44 -1.21 116.97 122.59 1yrl h TYR 165 Ca -0.00 -0.20 -0.00 0.00 3.14 0.00 0.00 58.73 61.66 1yrl h TYR 165 Cb 0.21 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.32 1yrl h TYR 165 CO 0.00 0.90 -0.02 0.87 -1.64 0.00 0.00 178.16 178.27 1yrl h LYS 166 N 0.37 0.00 -0.00 1.82 1.57 -0.76 -0.71 116.57 118.85 1yrl h LYS 166 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1yrl h LYS 166 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1yrl h LYS 166 CO 0.05 0.02 -0.13 0.54 -0.57 0.00 0.00 179.45 179.36 1yrl n ARG 167 N -3.20 0.47 -0.39 3.15 1.74 -1.04 -4.89 116.66 112.49 1yrl n ARG 167 Ca -0.02 -0.15 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 1yrl n ARG 167 Cb 0.18 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1yrl n ARG 167 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yrl n GLY 168 N 1.34 0.80 0.00 -0.13 0.00 -0.27 -5.04 105.19 101.89 1yrl n GLY 168 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1yrl n GLY 168 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1yrl n PHE 169 N -2.38 0.00 -3.85 1.61 7.35 -0.48 -5.02 117.46 114.69 1yrl n PHE 169 Ca 0.00 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.67 1yrl n PHE 169 Cb 0.00 0.00 0.02 0.00 0.35 0.00 0.00 39.48 39.85 1yrl n PHE 169 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1yrl n GLY 170 N 5.00 0.66 3.34 7.13 0.00 -1.24 -3.79 105.19 116.30 1yrl n GLY 170 Ca 0.00 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 1yrl n GLY 170 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yrl s VAL 171 N -2.12 2.98 0.00 1.61 1.01 -1.26 -4.49 120.40 118.12 1yrl s VAL 171 Ca 0.20 -0.68 -0.36 0.00 0.00 0.00 0.00 61.98 61.14 1yrl s VAL 171 Cb -0.02 -2.26 -0.15 0.00 0.00 0.00 0.00 36.38 33.95 1yrl s VAL 171 CO 0.04 0.52 1.59 -0.81 0.00 0.00 0.00 175.10 176.43 1yrl n PRO 172 N 3.74 1.62 -4.39 2.72 -0.04 -1.26 -4.40 135.00 132.99 1yrl n PRO 172 Ca -0.18 0.59 -0.28 0.00 -0.04 0.00 0.00 63.50 63.59 1yrl n PRO 172 Cb 0.52 -2.31 -0.12 0.00 -0.04 0.00 0.00 33.50 31.55 1yrl n PRO 172 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1yrl s THR 173 N 1.86 2.44 -0.32 0.52 -4.23 -0.88 -0.81 115.64 114.22 1yrl s THR 173 Ca 0.87 -1.87 -0.05 0.00 -1.18 0.00 0.00 61.69 59.46 1yrl s THR 173 Cb -0.85 -2.14 0.03 0.00 1.34 0.00 0.00 72.50 70.88 1yrl s THR 173 CO 0.49 -0.03 0.07 -0.22 -0.54 0.00 0.00 174.62 174.38 1yrl s LEU 174 N -2.45 4.05 0.20 4.79 0.20 -0.13 -0.93 118.68 124.42 1yrl s LEU 174 Ca 0.19 -1.06 0.03 0.00 0.69 0.00 0.00 54.13 53.98 1yrl s LEU 174 Cb -0.09 -1.82 -0.03 0.00 -0.43 0.00 0.00 46.19 43.82 1yrl s LEU 174 CO 0.09 -0.27 0.33 0.27 -0.29 0.00 0.00 176.35 176.48 1yrl s ILE 175 N 1.38 5.29 0.38 6.68 -4.36 -0.79 -1.79 121.20 127.99 1yrl s ILE 175 Ca -0.01 -0.81 -0.13 0.00 -0.26 0.00 0.00 60.65 59.44 1yrl s ILE 175 Cb -0.19 -3.80 0.05 0.00 1.25 0.00 0.00 42.46 39.77 1yrl s ILE 175 CO 0.01 -0.22 0.73 0.00 0.24 0.00 0.00 174.94 175.70 1yrl s ALA 176 N -1.87 -0.42 -0.26 2.27 0.00 -0.61 -1.68 121.76 119.19 1yrl s ALA 176 Ca 0.35 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 51.27 1yrl s ALA 176 Cb -0.10 0.77 0.09 0.00 0.00 0.00 0.00 23.12 23.88 1yrl s ALA 176 CO 0.29 -0.95 0.60 0.54 0.00 0.00 0.00 175.76 176.24 1yrl s VAL 177 N -2.41 -0.39 -0.07 0.00 0.11 -1.26 -1.71 120.40 114.67 1yrl s VAL 177 Ca 0.19 0.04 -0.30 0.00 -2.93 0.00 0.00 61.98 58.98 1yrl s VAL 177 Cb -0.04 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 1yrl s VAL 177 CO 0.13 0.02 1.36 -2.28 -3.33 0.00 0.00 175.10 171.00 1yrl s HIS 178 N 2.11 2.78 0.13 1.54 2.46 -0.24 -4.75 115.29 119.33 1yrl s HIS 178 Ca -0.08 0.85 -0.20 0.00 0.47 0.00 0.00 55.06 56.11 1yrl s HIS 178 Cb -0.09 -3.61 -0.04 0.00 -0.13 0.00 0.00 32.58 28.72 1yrl s HIS 178 CO -0.18 -2.23 1.72 -1.35 -2.47 0.00 0.00 174.74 170.23 1yrl h PRO 179 N 8.13 0.05 0.00 2.88 0.11 -2.00 -1.97 132.00 139.20 1yrl h PRO 179 Ca -0.34 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1yrl h PRO 179 Cb 1.15 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1yrl h PRO 179 CO 0.93 0.04 0.21 0.39 -0.21 0.00 0.00 178.00 179.35 1yrl n GLU 180 N -5.14 0.03 -2.88 1.05 -0.58 -1.26 -2.57 120.64 109.30 1yrl n GLU 180 Ca -0.03 0.41 -0.16 0.00 -0.42 0.00 0.00 57.16 56.97 1yrl n GLU 180 Cb 0.10 -1.82 -0.00 0.00 -0.57 0.00 0.00 31.44 29.15 1yrl n GLU 180 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1yrl n ASN 181 N -1.58 1.72 -3.03 1.62 4.13 -0.74 -4.90 115.26 112.48 1yrl n ASN 181 Ca -0.00 -3.00 -0.21 0.00 1.68 0.00 0.00 54.58 53.05 1yrl n ASN 181 Cb 0.22 -0.56 -0.03 0.00 -1.54 0.00 0.00 39.78 37.87 1yrl n ASN 181 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1yrl n ASP 182 N 0.03 2.51 0.00 6.41 4.64 -1.06 -1.06 116.55 128.02 1yrl n ASP 182 Ca 0.20 -3.30 0.00 0.00 -1.38 0.00 0.00 54.79 50.31 1yrl n ASP 182 Cb 0.71 -0.58 0.00 0.00 -1.04 0.00 0.00 41.12 40.20 1yrl n ASP 182 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1yrl n PRO 183 N 0.01 0.00 0.00 -0.67 -0.02 -1.26 -1.66 135.00 131.40 1yrl n PRO 183 Ca 0.27 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1yrl n PRO 183 Cb 0.56 -0.90 0.00 0.00 -0.02 0.00 0.00 33.50 33.14 1yrl n PRO 183 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1yrl n LYS 184 N -0.68 0.25 -4.11 -0.52 5.02 -1.26 -4.76 118.16 112.10 1yrl n LYS 184 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1yrl n LYS 184 Cb 0.00 -1.04 -0.05 0.00 -0.02 0.00 0.00 35.03 33.92 1yrl n LYS 184 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yrl n GLY 185 N -0.05 -0.20 0.18 0.72 0.00 -0.66 -4.82 105.19 100.35 1yrl n GLY 185 Ca 0.00 0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.20 1yrl n GLY 185 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1yrl n GLU 186 N -4.46 0.18 0.00 1.61 0.28 -1.26 -4.82 120.64 112.17 1yrl n GLU 186 Ca -0.28 -0.72 0.00 0.00 -0.16 0.00 0.00 57.16 55.99 1yrl n GLU 186 Cb 0.67 -1.06 0.00 0.00 1.43 0.00 0.00 31.44 32.48 1yrl n GLU 186 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1yrl n GLY 187 N 0.34 -3.12 0.42 -1.84 0.00 -1.26 -0.64 105.19 99.09 1yrl n GLY 187 Ca 0.03 0.59 0.22 0.00 0.00 0.00 0.00 46.02 46.86 1yrl n GLY 187 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1yrl h MET 188 N 0.00 0.17 -0.63 1.61 2.86 -1.90 -0.12 114.93 116.91 1yrl h MET 188 Ca 0.00 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 1yrl h MET 188 Cb 0.00 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1yrl h MET 188 CO 0.00 0.11 0.10 0.00 1.06 0.00 0.00 176.91 178.18 1yrl h ALA 189 N 1.62 0.83 0.19 6.32 0.00 -1.21 -0.91 119.26 126.11 1yrl h ALA 189 Ca 0.40 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1yrl h ALA 189 Cb 1.31 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1yrl h ALA 189 CO -0.07 0.60 -0.09 0.82 0.00 0.00 0.00 179.25 180.50 1yrl h ILE 190 N 0.95 0.22 -0.77 0.00 2.04 -0.20 -2.88 117.51 116.87 1yrl h ILE 190 Ca 0.19 -0.93 0.17 0.00 1.00 0.00 0.00 64.86 65.30 1yrl h ILE 190 Cb 0.44 0.39 -0.14 0.00 -0.74 0.00 0.00 36.82 36.77 1yrl h ILE 190 CO 0.01 0.06 -0.06 0.00 0.00 0.00 0.00 178.15 178.17 1yrl h ALA 191 N -0.90 0.71 -0.67 1.87 0.00 -1.14 0.42 119.26 119.55 1yrl h ALA 191 Ca -0.03 0.27 0.07 0.00 0.00 0.00 0.00 54.91 55.22 1yrl h ALA 191 Cb 0.30 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1yrl h ALA 191 CO 0.04 -0.43 0.35 0.87 0.00 0.00 0.00 179.25 180.09 1yrl h LYS 192 N 0.06 0.62 -0.05 0.00 1.79 -1.25 0.30 116.57 118.03 1yrl h LYS 192 Ca 0.41 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.83 1yrl h LYS 192 Cb 0.70 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1yrl h LYS 192 CO -0.72 0.41 0.00 0.00 -1.08 0.00 0.00 179.45 178.06 1yrl h ALA 193 N 1.37 0.07 -0.26 3.86 0.00 -0.12 -1.86 119.26 122.32 1yrl h ALA 193 Ca 0.31 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1yrl h ALA 193 Cb 0.25 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1yrl h ALA 193 CO -0.21 -0.27 -0.13 2.35 0.00 0.00 0.00 179.25 180.99 1yrl h TRP 194 N -0.19 -0.32 -1.00 0.00 7.01 -0.15 0.23 115.95 121.52 1yrl h TRP 194 Ca 0.01 0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.11 1yrl h TRP 194 Cb 0.32 0.18 -0.07 0.00 -2.10 0.00 0.00 29.16 27.49 1yrl h TRP 194 CO 0.03 -0.20 0.65 0.00 -2.79 0.00 0.00 178.44 176.13 1yrl h ALA 195 N 1.11 1.39 -0.13 2.65 0.00 -0.91 -1.03 119.26 122.34 1yrl h ALA 195 Ca 0.14 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1yrl h ALA 195 Cb 0.31 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1yrl h ALA 195 CO -0.32 0.45 -0.40 0.00 0.00 0.00 0.00 179.25 178.98 1yrl h ALA 196 N 1.45 1.08 0.00 0.00 0.00 -0.31 -1.59 119.26 119.89 1yrl h ALA 196 Ca 0.43 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1yrl h ALA 196 Cb 0.15 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1yrl h ALA 196 CO -0.17 0.59 -0.01 0.00 0.00 0.00 0.00 179.25 179.66 1yrl h ALA 197 N 1.34 1.02 -0.63 0.00 0.00 0.74 -0.16 119.26 121.57 1yrl h ALA 197 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1yrl h ALA 197 Cb 0.81 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1yrl h ALA 197 CO 0.06 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.57 1yrl n THR 198 N -3.12 1.35 -0.86 0.00 -2.24 -0.93 -2.50 114.28 105.98 1yrl n THR 198 Ca -0.01 -1.11 0.00 0.00 -2.27 0.00 0.00 64.05 60.66 1yrl n THR 198 Cb 0.19 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1yrl n THR 198 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yrl n GLY 199 N 1.22 0.34 0.36 3.38 0.00 -0.07 -4.65 105.19 105.76 1yrl n GLY 199 Ca 0.23 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.43 1yrl n GLY 199 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1yrl h GLY 200 N 0.00 0.00 2.00 -0.02 0.00 -1.51 0.60 103.07 104.14 1yrl h GLY 200 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1yrl h GLY 200 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 174.15 1yrl n HIS 201 N -3.84 0.09 0.20 5.60 1.44 -1.26 -1.97 115.22 115.48 1yrl n HIS 201 Ca 0.04 0.03 0.09 0.00 -2.01 0.00 0.00 57.72 55.88 1yrl n HIS 201 Cb 0.45 -0.55 0.16 0.00 0.12 0.00 0.00 29.99 30.17 1yrl n HIS 201 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1yrl h ARG 202 N 0.00 0.00 0.00 -1.40 3.08 -1.22 -3.36 114.38 111.48 1yrl h ARG 202 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 1yrl h ARG 202 Cb 0.35 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 1yrl h ARG 202 CO 0.00 0.17 -2.05 0.00 -1.07 0.00 0.00 179.97 177.02 1yrl n ALA 203 N -2.14 1.66 0.00 0.04 0.00 -1.08 -4.33 120.51 114.65 1yrl n ALA 203 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1yrl n ALA 203 Cb 0.58 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.18 1yrl n ALA 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yrl n GLY 204 N 2.32 3.68 3.33 0.00 0.00 -0.83 -4.51 105.19 109.18 1yrl n GLY 204 Ca -0.34 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 1yrl n GLY 204 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yrl s VAL 205 N 0.00 3.36 -0.26 1.61 1.01 -1.26 -2.07 120.40 122.79 1yrl s VAL 205 Ca 0.00 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 1yrl s VAL 205 Cb 0.00 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1yrl s VAL 205 CO 0.00 0.45 0.45 -0.76 0.00 0.00 0.00 175.10 175.23 1yrl s LEU 206 N 1.21 4.05 -0.74 3.92 1.43 -0.10 -2.48 118.68 125.96 1yrl s LEU 206 Ca 0.02 0.42 -0.25 0.00 -1.03 0.00 0.00 54.13 53.30 1yrl s LEU 206 Cb -0.14 -2.56 0.05 0.00 0.03 0.00 0.00 46.19 43.57 1yrl s LEU 206 CO -0.02 -0.23 1.17 -0.70 0.23 0.00 0.00 176.35 176.80 1yrl s GLU 207 N 2.17 3.20 0.00 1.70 2.12 -0.23 -1.88 118.70 125.78 1yrl s GLU 207 Ca 0.18 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 54.95 1yrl s GLU 207 Cb -0.16 -4.30 0.00 0.00 0.26 0.00 0.00 34.13 29.93 1yrl s GLU 207 CO 0.09 -2.02 0.00 0.45 -0.54 0.00 0.00 175.26 173.24 1yrl n SER 208 N 8.64 0.00 -4.08 -1.70 2.88 -0.68 -1.91 113.62 116.77 1yrl n SER 208 Ca 0.03 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.50 1yrl n SER 208 Cb 0.48 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.84 1yrl n SER 208 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1yrl s SER 209 N 0.73 0.48 0.39 -3.46 1.04 -1.23 -4.51 113.70 107.14 1yrl s SER 209 Ca 0.00 -0.98 0.11 0.00 0.48 0.00 0.00 55.95 55.55 1yrl s SER 209 Cb 0.00 0.20 0.89 0.00 0.10 0.00 0.00 66.02 67.22 1yrl s SER 209 CO 0.00 -0.60 1.93 -0.26 0.98 0.00 0.00 173.24 175.29 1yrl h PHE 210 N 3.15 0.65 -0.02 5.02 -1.00 -1.90 -1.62 116.94 121.22 1yrl h PHE 210 Ca -0.34 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.43 1yrl h PHE 210 Cb 1.14 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 40.50 1yrl h PHE 210 CO 0.53 0.29 -0.11 0.28 -1.61 0.00 0.00 178.31 177.68 1yrl h VAL 211 N 0.59 1.52 -0.85 -0.55 2.07 -1.95 -2.53 116.25 114.56 1yrl h VAL 211 Ca 0.36 -1.69 0.06 0.00 0.82 0.00 0.00 66.70 66.25 1yrl h VAL 211 Cb 0.58 2.60 -0.06 0.00 -1.52 0.00 0.00 31.29 32.89 1yrl h VAL 211 CO -0.13 0.46 0.52 0.00 0.02 0.00 0.00 177.57 178.44 1yrl h ALA 212 N 0.33 1.17 0.71 1.67 0.00 -1.59 -0.95 119.26 120.60 1yrl h ALA 212 Ca -0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1yrl h ALA 212 Cb 0.80 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1yrl h ALA 212 CO 0.02 0.26 -0.34 1.49 0.00 0.00 0.00 179.25 180.67 1yrl h GLU 213 N 0.95 -0.92 0.20 0.00 4.22 -1.34 -1.95 114.58 115.73 1yrl h GLU 213 Ca 0.37 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.88 1yrl h GLU 213 Cb 0.18 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1yrl h GLU 213 CO -0.18 -0.62 -0.45 0.28 -2.18 0.00 0.00 179.01 175.87 1yrl h VAL 214 N -1.01 0.00 -0.97 0.32 2.07 -1.28 0.54 116.25 115.92 1yrl h VAL 214 Ca -0.10 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.60 1yrl h VAL 214 Cb 0.74 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.40 1yrl h VAL 214 CO 0.16 0.00 0.57 0.11 0.02 0.00 0.00 177.57 178.43 1yrl h LYS 215 N -0.71 0.72 0.13 1.57 6.56 -1.26 -0.50 116.57 123.07 1yrl h LYS 215 Ca -0.02 -0.04 -0.17 0.00 -1.06 0.00 0.00 60.65 59.35 1yrl h LYS 215 Cb 0.68 -0.16 0.02 0.00 -0.57 0.00 0.00 32.23 32.20 1yrl h LYS 215 CO -0.19 0.47 -0.76 0.66 -2.06 0.00 0.00 179.45 177.57 1yrl h SER 216 N 0.74 0.42 -0.72 0.86 4.64 -1.03 -3.01 113.55 115.44 1yrl h SER 216 Ca 0.55 -0.95 0.10 0.00 -0.47 0.00 0.00 61.79 61.02 1yrl h SER 216 Cb 0.83 -0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 62.71 1yrl h SER 216 CO -0.38 1.37 0.35 -0.78 -0.87 0.00 0.00 176.83 176.52 1yrl h ASP 217 N -0.43 0.43 -0.38 4.97 3.58 0.44 -1.12 116.42 123.91 1yrl h ASP 217 Ca -0.14 0.07 -0.13 0.00 0.42 0.00 0.00 57.03 57.26 1yrl h ASP 217 Cb 1.59 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.63 1yrl h ASP 217 CO 0.13 0.23 -0.26 -0.07 -2.88 0.00 0.00 179.24 176.39 1yrl h LEU 218 N 0.57 0.89 0.04 2.28 3.38 -1.21 -2.89 115.31 118.37 1yrl h LEU 218 Ca 0.37 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1yrl h LEU 218 Cb 0.43 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1yrl h LEU 218 CO -0.30 1.13 -0.02 -0.03 0.09 0.00 0.00 178.44 179.31 1yrl h MET 219 N 0.65 -0.06 -0.16 1.13 4.05 -1.24 -2.53 114.93 116.78 1yrl h MET 219 Ca 0.07 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.50 1yrl h MET 219 Cb 0.83 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.64 1yrl h MET 219 CO 0.07 -0.01 0.09 0.78 0.23 0.00 0.00 176.91 178.08 1yrl h GLY 220 N -0.09 0.21 0.93 1.39 0.00 -1.29 -1.92 103.07 102.31 1yrl h GLY 220 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1yrl h GLY 220 CO 0.01 0.06 -0.04 1.05 0.00 0.00 0.00 176.54 177.62 1yrl h GLU 221 N 0.19 -0.09 0.00 4.80 4.11 -1.47 0.02 114.58 122.13 1yrl h GLU 221 Ca 0.06 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.50 1yrl h GLU 221 Cb -0.01 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1yrl h GLU 221 CO -0.03 -0.06 0.00 0.00 0.07 0.00 0.00 179.01 178.99 1yrl n GLN 222 N -5.15 0.17 0.00 1.06 10.64 -0.96 -1.51 117.38 121.64 1yrl n GLN 222 Ca -0.07 0.35 0.00 0.00 -1.83 0.00 0.00 57.00 55.45 1yrl n GLN 222 Cb 0.08 -1.80 0.00 0.00 -0.86 0.00 0.00 30.24 27.66 1yrl n GLN 222 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1yrl n THR 223 N -2.12 0.00 -0.30 -0.39 -2.24 -0.73 -3.77 114.28 104.73 1yrl n THR 223 Ca 0.03 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.80 1yrl n THR 223 Cb 0.26 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.52 1yrl n THR 223 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yrl n ILE 224 N 0.00 -0.40 -0.31 2.28 0.00 -1.21 -1.56 119.36 118.16 1yrl n ILE 224 Ca 0.00 1.80 0.08 0.00 0.00 0.00 0.00 62.75 64.64 1yrl n ILE 224 Cb 0.00 -2.38 0.25 0.00 0.00 0.00 0.00 39.64 37.50 1yrl n ILE 224 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1yrl h LEU 225 N 0.00 0.55 0.00 9.51 3.38 -1.20 -3.33 115.31 124.23 1yrl h LEU 225 Ca 0.27 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1yrl h LEU 225 Cb 0.46 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1yrl h LEU 225 CO -0.76 0.21 -0.10 0.00 0.09 0.00 0.00 178.44 177.88 1yrl h GLY 227 N 0.00 1.46 0.75 0.00 0.00 -0.68 -0.04 103.07 104.55 1yrl h GLY 227 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 1yrl h GLY 227 CO 0.00 -0.38 -0.05 -0.33 0.00 0.00 0.00 176.54 175.78 1yrl h MET 228 N 0.23 0.29 -0.56 4.80 2.86 -1.40 -2.23 114.93 118.93 1yrl h MET 228 Ca 0.58 -0.12 0.07 0.00 -2.06 0.00 0.00 59.70 58.17 1yrl h MET 228 Cb 1.18 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.77 1yrl h MET 228 CO -0.65 0.60 0.24 -0.07 1.06 0.00 0.00 176.91 178.09 1yrl h LEU 229 N -0.03 0.29 -0.15 1.22 4.07 -1.18 1.09 115.31 120.63 1yrl h LEU 229 Ca 0.03 0.05 -0.03 0.00 0.08 0.00 0.00 57.88 58.02 1yrl h LEU 229 Cb 0.50 0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.25 1yrl h LEU 229 CO 0.02 0.19 -0.02 -0.61 -1.08 0.00 0.00 178.44 176.94 1yrl h GLN 230 N 0.45 0.27 -0.51 1.13 4.15 -1.17 0.83 115.11 120.27 1yrl h GLN 230 Ca 0.27 -0.10 -0.07 0.00 0.77 0.00 0.00 58.65 59.52 1yrl h GLN 230 Cb 0.26 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1yrl h GLN 230 CO -0.23 0.53 0.04 0.00 -1.93 0.00 0.00 178.83 177.24 1yrl h ALA 231 N 0.73 1.13 -0.29 3.38 0.00 -1.07 -1.41 119.26 121.74 1yrl h ALA 231 Ca 0.04 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1yrl h ALA 231 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1yrl h ALA 231 CO 0.01 0.57 -0.05 0.78 0.00 0.00 0.00 179.25 180.56 1yrl h GLY 232 N 0.97 0.59 0.96 0.00 0.00 0.14 -0.66 103.07 105.07 1yrl h GLY 232 Ca 0.16 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1yrl h GLY 232 CO 0.01 0.43 -0.19 1.76 0.00 0.00 0.00 176.54 178.56 1yrl h SER 233 N 0.31 -0.45 -0.24 0.19 0.02 -0.56 -0.65 113.55 112.17 1yrl h SER 233 Ca 0.08 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1yrl h SER 233 Cb 0.51 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1yrl h SER 233 CO 0.02 -0.31 0.16 -0.07 -1.14 0.00 0.00 176.83 175.50 1yrl h LEU 234 N -0.49 0.27 -0.81 5.07 3.38 -1.28 -0.93 115.31 120.51 1yrl h LEU 234 Ca -0.04 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1yrl h LEU 234 Cb 0.39 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1yrl h LEU 234 CO 0.06 0.20 0.54 -0.07 0.09 0.00 0.00 178.44 179.25 1yrl h LEU 235 N 0.32 0.93 0.04 1.67 3.38 -0.98 -2.01 115.31 118.66 1yrl h LEU 235 Ca 0.09 -0.02 -0.28 0.00 0.09 0.00 0.00 57.88 57.76 1yrl h LEU 235 Cb -0.03 -0.23 0.02 0.00 0.09 0.00 0.00 40.66 40.51 1yrl h LEU 235 CO -0.02 0.67 -1.12 0.00 0.09 0.00 0.00 178.44 178.06 1yrl h PHE 237 N 0.35 -0.57 -0.77 0.00 3.57 -1.12 0.56 116.94 118.97 1yrl h PHE 237 Ca -0.15 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.42 1yrl h PHE 237 Cb 1.78 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 40.66 1yrl h PHE 237 CO 0.11 -0.35 0.50 -0.44 -2.23 0.00 0.00 178.31 175.90 1yrl h ASP 238 N -0.60 0.65 0.03 0.41 3.32 -1.43 -1.31 116.42 117.49 1yrl h ASP 238 Ca -0.06 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1yrl h ASP 238 Cb 0.46 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1yrl h ASP 238 CO 0.09 0.39 -0.01 0.50 -1.72 0.00 0.00 179.24 178.49 1yrl h LYS 239 N 0.72 -0.03 -0.54 3.56 1.63 -0.61 -0.10 116.57 121.20 1yrl h LYS 239 Ca 0.35 0.00 0.10 0.00 -0.85 0.00 0.00 60.65 60.26 1yrl h LYS 239 Cb 0.41 0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 31.96 1yrl h LYS 239 CO -0.13 0.43 0.04 -0.07 -3.45 0.00 0.00 179.45 176.27 1yrl h LEU 240 N -0.51 -0.15 -0.02 5.20 3.38 0.63 -0.03 115.31 123.81 1yrl h LEU 240 Ca -0.00 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1yrl h LEU 240 Cb 0.48 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1yrl h LEU 240 CO 0.01 -0.05 0.00 0.58 0.09 0.00 0.00 178.44 179.07 1yrl h VAL 241 N 0.16 1.20 -0.67 1.22 2.07 -1.25 -1.05 116.25 117.93 1yrl h VAL 241 Ca 0.28 -0.59 0.18 0.00 0.82 0.00 0.00 66.70 67.39 1yrl h VAL 241 Cb 0.42 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1yrl h VAL 241 CO -0.42 0.16 0.47 -0.08 0.02 0.00 0.00 177.57 177.72 1yrl h GLU 242 N -0.20 0.07 -0.55 1.57 4.81 -0.18 -0.20 114.58 119.91 1yrl h GLU 242 Ca 0.01 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1yrl h GLU 242 Cb 0.25 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1yrl h GLU 242 CO 0.00 0.05 0.00 0.39 -0.73 0.00 0.00 179.01 178.72 1yrl n GLU 243 N -4.37 2.45 0.00 1.92 -0.58 -0.10 -4.94 120.64 115.02 1yrl n GLU 243 Ca 0.13 -1.89 0.00 0.00 -0.42 0.00 0.00 57.16 54.98 1yrl n GLU 243 Cb 0.69 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 1yrl n GLU 243 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yrl n GLY 244 N 1.16 0.88 3.75 0.62 0.00 -0.09 -5.06 105.19 106.45 1yrl n GLY 244 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1yrl n GLY 244 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yrl s THR 245 N -2.00 4.47 -0.05 2.61 2.01 -0.43 -4.96 115.64 117.29 1yrl s THR 245 Ca 0.00 1.88 -0.34 0.00 0.31 0.00 0.00 61.69 63.54 1yrl s THR 245 Cb 0.00 -4.23 -0.12 0.00 0.01 0.00 0.00 72.50 68.16 1yrl s THR 245 CO 0.00 0.40 1.82 -0.67 -0.69 0.00 0.00 174.62 175.48 1yrl n ASP 246 N 2.36 3.32 -0.29 3.53 2.03 -1.26 -4.32 116.55 121.92 1yrl n ASP 246 Ca -0.01 1.00 0.08 0.00 0.52 0.00 0.00 54.79 56.37 1yrl n ASP 246 Cb 0.49 -1.37 0.19 0.00 -0.72 0.00 0.00 41.12 39.71 1yrl n ASP 246 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1yrl h PRO 247 N 8.52 0.07 -0.54 -0.67 0.13 -1.94 0.20 132.00 137.77 1yrl h PRO 247 Ca -0.48 -0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1yrl h PRO 247 Cb 1.27 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1yrl h PRO 247 CO 0.94 0.05 0.36 0.00 -0.23 0.00 0.00 178.00 179.11 1yrl h ALA 248 N 1.80 1.70 -0.02 -0.56 0.00 -1.89 0.14 119.26 120.42 1yrl h ALA 248 Ca 0.47 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 55.15 1yrl h ALA 248 Cb 0.85 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1yrl h ALA 248 CO -0.76 0.25 -0.85 -0.92 0.00 0.00 0.00 179.25 176.97 1yrl h TYR 249 N 0.65 0.45 -0.36 0.00 3.20 -0.97 0.24 116.97 120.19 1yrl h TYR 249 Ca 0.21 -0.23 -0.11 0.00 3.14 0.00 0.00 58.73 61.74 1yrl h TYR 249 Cb 0.05 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 1yrl h TYR 249 CO -0.00 1.03 -0.21 0.00 -1.64 0.00 0.00 178.16 177.34 1yrl h ALA 250 N 0.90 0.51 -0.49 1.82 0.00 0.00 -1.30 119.26 120.70 1yrl h ALA 250 Ca -0.05 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1yrl h ALA 250 Cb 1.46 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1yrl h ALA 250 CO 0.14 0.47 0.29 1.05 0.00 0.00 0.00 179.25 181.20 1yrl h GLU 251 N 0.56 0.65 -0.02 0.00 -0.00 -0.75 -1.85 114.58 113.18 1yrl h GLU 251 Ca 0.08 -0.05 -0.21 0.00 -0.00 0.00 0.00 59.36 59.17 1yrl h GLU 251 Cb 0.77 -0.14 -0.00 0.00 -0.00 0.00 0.00 28.75 29.37 1yrl h GLU 251 CO 0.06 0.46 -0.89 -0.22 -0.00 0.00 0.00 179.01 178.42 1yrl h LYS 252 N 0.67 0.40 -0.73 1.06 3.64 -1.25 -1.54 116.57 118.81 1yrl h LYS 252 Ca 0.18 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1yrl h LYS 252 Cb -0.02 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 1yrl h LYS 252 CO -0.03 1.07 0.46 -0.07 -2.27 0.00 0.00 179.45 178.61 1yrl h LEU 253 N 0.23 0.86 -0.01 5.20 3.38 -0.53 -1.84 115.31 122.61 1yrl h LEU 253 Ca -0.07 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1yrl h LEU 253 Cb 1.51 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1yrl h LEU 253 CO 0.15 0.64 -0.05 0.40 0.09 0.00 0.00 178.44 179.67 1yrl h ILE 254 N 0.99 1.53 -0.64 1.22 1.08 -1.37 0.23 117.51 120.55 1yrl h ILE 254 Ca 0.26 -1.63 0.08 0.00 -0.39 0.00 0.00 64.86 63.19 1yrl h ILE 254 Cb -0.08 2.59 -0.06 0.00 -3.07 0.00 0.00 36.82 36.20 1yrl h ILE 254 CO -0.05 0.43 0.31 -0.61 -0.69 0.00 0.00 178.15 177.53 1yrl h GLN 255 N -0.60 0.53 0.00 2.37 4.15 -1.18 -3.08 115.11 117.30 1yrl h GLN 255 Ca -0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1yrl h GLN 255 Cb 0.73 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.30 1yrl h GLN 255 CO 0.01 0.35 -0.98 1.19 -1.93 0.00 0.00 178.83 177.47 1yrl n PHE 256 N -4.89 0.00 0.10 3.99 3.72 -0.70 -3.19 117.46 116.49 1yrl n PHE 256 Ca 0.09 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.36 1yrl n PHE 256 Cb 0.23 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.68 1yrl n PHE 256 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1yrl h GLY 257 N 4.91 -0.25 0.15 1.37 0.00 -0.84 -2.55 103.07 105.85 1yrl h GLY 257 Ca 0.00 0.09 0.17 0.00 0.00 0.00 0.00 47.33 47.60 1yrl h GLY 257 CO 0.00 -0.09 0.53 1.49 0.00 0.00 0.00 176.54 178.47 1yrl h TRP 258 N -0.55 0.93 -0.15 5.60 4.06 -1.80 0.54 115.95 124.58 1yrl h TRP 258 Ca -0.02 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.95 1yrl h TRP 258 Cb 0.42 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.30 1yrl h TRP 258 CO 0.02 0.20 0.04 1.49 -3.56 0.00 0.00 178.44 176.64 1yrl h GLU 259 N 0.69 0.25 0.37 0.49 4.81 -1.72 -1.43 114.58 118.03 1yrl h GLU 259 Ca 0.53 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.69 1yrl h GLU 259 Cb 0.80 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1yrl h GLU 259 CO -0.38 0.39 -0.18 1.15 -0.73 0.00 0.00 179.01 179.26 1yrl h THR 260 N 0.06 0.63 -0.39 0.32 2.02 -0.84 -1.76 112.91 112.95 1yrl h THR 260 Ca 0.05 -0.38 0.04 0.00 0.77 0.00 0.00 66.41 66.89 1yrl h THR 260 Cb 0.25 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 1yrl h THR 260 CO 0.00 0.07 0.14 0.40 0.37 0.00 0.00 175.52 176.51 1yrl h ILE 261 N -0.72 0.90 0.00 3.11 2.04 -1.01 -2.43 117.51 119.40 1yrl h ILE 261 Ca -0.05 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1yrl h ILE 261 Cb 0.50 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1yrl h ILE 261 CO 0.08 0.06 -0.00 0.00 0.00 0.00 0.00 178.15 178.29 1yrl h THR 262 N 0.31 0.00 -0.11 -0.27 1.03 -1.24 -2.71 112.91 109.91 1yrl h THR 262 Ca 0.17 -0.21 -0.16 0.00 -0.01 0.00 0.00 66.41 66.21 1yrl h THR 262 Cb 0.15 1.21 0.01 0.00 -1.07 0.00 0.00 68.15 68.44 1yrl h THR 262 CO -0.17 0.00 -0.54 -0.08 -0.01 0.00 0.00 175.52 174.72 1yrl h GLU 263 N 0.00 0.57 -0.78 0.00 4.57 -0.79 -0.61 114.58 117.54 1yrl h GLU 263 Ca -0.00 -0.46 -0.03 0.00 -1.18 0.00 0.00 59.36 57.69 1yrl h GLU 263 Cb 0.21 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.86 1yrl h GLU 263 CO 0.00 1.08 0.37 0.00 -1.18 0.00 0.00 179.01 179.28 1yrl h ALA 264 N 0.49 1.00 -0.57 2.92 0.00 -1.49 -1.32 119.26 120.29 1yrl h ALA 264 Ca -0.03 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.79 1yrl h ALA 264 Cb 1.18 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 1yrl h ALA 264 CO 0.11 0.57 0.25 1.25 0.00 0.00 0.00 179.25 181.43 1yrl h LEU 265 N 1.10 0.30 -1.93 0.00 5.85 -1.32 0.14 115.31 119.46 1yrl h LEU 265 Ca 0.27 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 1yrl h LEU 265 Cb 0.13 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1yrl h LEU 265 CO -0.03 0.20 -0.06 0.50 -0.34 0.00 0.00 178.44 178.71 1yrl h LYS 266 N 0.46 0.00 0.03 1.25 3.64 -0.05 0.57 116.57 122.47 1yrl h LYS 266 Ca 0.27 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.37 1yrl h LYS 266 Cb 0.27 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 1yrl h LYS 266 CO -0.24 0.06 -1.56 1.96 -2.27 0.00 0.00 179.45 177.40 1yrl h GLN 267 N 0.00 0.06 -0.02 1.90 1.08 -0.03 -3.43 115.11 114.68 1yrl h GLN 267 Ca -0.00 -0.10 -0.16 0.00 -1.45 0.00 0.00 58.65 56.94 1yrl h GLN 267 Cb 0.10 0.04 -0.28 0.00 -0.05 0.00 0.00 27.48 27.29 1yrl h GLN 267 CO 0.01 0.75 -0.72 0.41 -0.95 0.00 0.00 178.83 178.33 1yrl n GLY 268 N 1.57 0.86 4.41 3.46 0.00 0.30 -5.04 105.19 110.74 1yrl n GLY 268 Ca -0.15 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.46 1yrl n GLY 268 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yrl n GLY 269 N 0.20 -1.25 0.43 -0.02 0.00 0.20 -1.69 105.19 103.06 1yrl n GLY 269 Ca -0.08 -0.97 0.25 0.00 0.00 0.00 0.00 46.02 45.21 1yrl n GLY 269 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1yrl h ILE 270 N -0.57 0.51 -0.20 -0.61 2.04 -1.92 -1.91 117.51 114.84 1yrl h ILE 270 Ca 0.01 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.81 1yrl h ILE 270 Cb 0.56 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 1yrl h ILE 270 CO 0.00 0.06 -0.11 0.74 0.00 0.00 0.00 178.15 178.84 1yrl h THR 271 N 0.31 0.66 -0.10 -0.27 2.02 -1.88 -0.46 112.91 113.19 1yrl h THR 271 Ca 0.57 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.59 1yrl h THR 271 Cb 1.62 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 1yrl h THR 271 CO -0.23 0.00 -0.62 0.25 0.37 0.00 0.00 175.52 175.29 1yrl h LEU 272 N -0.09 0.41 0.34 2.58 5.85 -0.54 -2.13 115.31 121.73 1yrl h LEU 272 Ca 0.11 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1yrl h LEU 272 Cb 0.26 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1yrl h LEU 272 CO -0.26 0.93 -0.17 -0.03 -0.34 0.00 0.00 178.44 178.57 1yrl h MET 273 N 0.27 -0.45 -0.83 1.25 4.05 -0.99 -2.37 114.93 115.85 1yrl h MET 273 Ca -0.01 0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.45 1yrl h MET 273 Cb 1.15 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 32.01 1yrl h MET 273 CO 0.10 -0.30 0.54 0.52 0.23 0.00 0.00 176.91 178.01 1yrl h MET 274 N -0.47 1.10 0.00 0.39 2.86 -1.10 -2.09 114.93 115.63 1yrl h MET 274 Ca -0.04 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1yrl h MET 274 Cb 0.36 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1yrl h MET 274 CO 0.07 0.74 0.01 -0.25 1.06 0.00 0.00 176.91 178.54 1yrl n ASP 275 N -4.40 0.56 0.16 1.22 10.43 -0.80 -1.11 116.55 122.61 1yrl n ASP 275 Ca 0.09 0.76 0.12 0.00 2.57 0.00 0.00 54.79 58.34 1yrl n ASP 275 Cb 0.03 -0.83 0.21 0.00 1.84 0.00 0.00 41.12 42.37 1yrl n ASP 275 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 1yrl h ARG 276 N 0.00 0.00 -7.20 -1.24 2.47 -1.10 -3.46 114.38 103.86 1yrl h ARG 276 Ca 0.00 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.22 1yrl h ARG 276 Cb 0.02 0.00 0.05 0.00 -1.65 0.00 0.00 29.97 28.39 1yrl h ARG 276 CO 0.00 0.00 0.29 -0.51 0.56 0.00 0.00 179.97 180.31 1yrl s LEU 277 N -5.52 3.36 0.74 3.04 1.43 -0.26 -4.93 118.68 116.53 1yrl s LEU 277 Ca 0.07 1.19 -0.11 0.00 -1.03 0.00 0.00 54.13 54.25 1yrl s LEU 277 Cb 0.08 -4.18 0.03 0.00 0.03 0.00 0.00 46.19 42.16 1yrl s LEU 277 CO 0.67 -0.80 1.08 -0.94 0.23 0.00 0.00 176.35 176.59 1yrl s SER 278 N -4.17 4.87 0.09 2.29 1.04 -1.26 -4.64 113.70 111.92 1yrl s SER 278 Ca 0.52 1.76 -0.36 0.00 0.48 0.00 0.00 55.95 58.35 1yrl s SER 278 Cb -0.11 -2.51 -0.16 0.00 0.10 0.00 0.00 66.02 63.33 1yrl s SER 278 CO 0.50 -1.79 1.56 0.78 0.98 0.00 0.00 173.24 175.27 1yrl h ASN 279 N -0.89 -1.46 -0.89 7.02 2.35 -1.94 0.96 115.58 120.73 1yrl h ASN 279 Ca -0.44 0.13 0.15 0.00 -0.55 0.00 0.00 56.30 55.60 1yrl h ASN 279 Cb 1.22 0.50 -0.07 0.00 0.05 0.00 0.00 38.32 40.02 1yrl h ASN 279 CO 0.53 -0.64 0.57 1.55 -1.65 0.00 0.00 177.43 177.80 1yrl h PRO 280 N -0.94 0.62 -0.46 0.81 0.13 -1.86 0.16 132.00 130.45 1yrl h PRO 280 Ca -0.05 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.97 1yrl h PRO 280 Cb 0.85 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 1yrl h PRO 280 CO -0.13 0.41 -0.03 0.00 -0.23 0.00 0.00 178.00 178.02 1yrl h ALA 281 N 1.61 0.63 -0.53 -0.56 0.00 -1.49 -1.65 119.26 117.26 1yrl h ALA 281 Ca 0.45 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1yrl h ALA 281 Cb 0.80 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1yrl h ALA 281 CO -0.20 0.45 0.30 -0.22 0.00 0.00 0.00 179.25 179.58 1yrl h LYS 282 N 0.68 0.73 -0.11 0.00 3.64 0.32 0.17 116.57 122.00 1yrl h LYS 282 Ca 0.13 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1yrl h LYS 282 Cb 0.54 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1yrl h LYS 282 CO 0.03 0.55 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.68 1yrl h LEU 283 N 0.71 -0.08 -0.49 5.20 3.38 -0.60 -0.66 115.31 122.78 1yrl h LEU 283 Ca 0.19 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1yrl h LEU 283 Cb 0.02 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1yrl h LEU 283 CO -0.03 -0.02 0.30 -0.09 0.09 0.00 0.00 178.44 178.68 1yrl h ARG 284 N 0.02 0.66 -0.76 1.13 9.65 -0.98 -1.40 114.38 122.69 1yrl h ARG 284 Ca 0.05 -0.06 0.04 0.00 -1.10 0.00 0.00 59.98 58.92 1yrl h ARG 284 Cb 0.07 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 28.46 1yrl h ARG 284 CO -0.10 0.48 0.47 0.00 2.80 0.00 0.00 179.97 183.62 1yrl h ALA 285 N 1.14 1.01 -0.25 2.80 0.00 -0.74 0.64 119.26 123.86 1yrl h ALA 285 Ca 0.18 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1yrl h ALA 285 Cb -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1yrl h ALA 285 CO -0.03 0.23 0.09 -0.92 0.00 0.00 0.00 179.25 178.61 1yrl h TYR 286 N 0.89 0.16 -0.77 0.00 3.20 -0.49 0.22 116.97 120.18 1yrl h TYR 286 Ca 0.32 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.15 1yrl h TYR 286 Cb 0.09 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 1yrl h TYR 286 CO -0.04 0.08 0.29 0.00 -1.64 0.00 0.00 178.16 176.85 1yrl h ALA 287 N 1.16 1.01 -0.50 1.82 0.00 -0.61 -1.77 119.26 120.36 1yrl h ALA 287 Ca 0.11 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1yrl h ALA 287 Cb 0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1yrl h ALA 287 CO -0.11 0.65 0.06 -0.07 0.00 0.00 0.00 179.25 179.77 1yrl h LEU 288 N 1.13 0.75 -0.53 0.00 3.38 -0.43 -1.95 115.31 117.65 1yrl h LEU 288 Ca 0.26 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1yrl h LEU 288 Cb 0.24 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1yrl h LEU 288 CO -0.02 0.78 0.31 -1.28 0.09 0.00 0.00 178.44 178.32 1yrl h SER 289 N 0.75 0.65 -0.01 -0.43 0.87 0.10 0.13 113.55 115.61 1yrl h SER 289 Ca 0.16 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1yrl h SER 289 Cb 0.38 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1yrl h SER 289 CO 0.01 0.54 0.00 -0.33 -0.53 0.00 0.00 176.83 176.52 1yrl h GLU 290 N 0.71 0.02 -0.72 2.24 4.39 -0.96 -1.48 114.58 118.78 1yrl h GLU 290 Ca 0.19 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.95 1yrl h GLU 290 Cb 0.02 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.61 1yrl h GLU 290 CO -0.03 0.21 0.41 1.96 -1.16 0.00 0.00 179.01 180.40 1yrl h GLN 291 N -0.18 0.73 -0.38 2.33 4.20 -1.22 -1.42 115.11 119.17 1yrl h GLN 291 Ca 0.00 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1yrl h GLN 291 Cb 0.20 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1yrl h GLN 291 CO -0.00 0.48 0.10 -0.07 -0.67 0.00 0.00 178.83 178.67 1yrl h LEU 292 N 0.75 0.51 -0.27 1.46 4.07 -0.76 -1.96 115.31 119.11 1yrl h LEU 292 Ca 0.32 -0.07 -0.20 0.00 0.08 0.00 0.00 57.88 58.01 1yrl h LEU 292 Cb 0.19 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 1yrl h LEU 292 CO -0.18 0.51 -0.88 0.11 -1.08 0.00 0.00 178.44 176.91 1yrl h LYS 293 N 0.55 0.25 -0.33 1.13 1.57 -0.54 -1.76 116.57 117.43 1yrl h LYS 293 Ca 0.13 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.57 1yrl h LYS 293 Cb 0.20 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1yrl h LYS 293 CO -0.00 0.98 -0.08 1.49 -0.57 0.00 0.00 179.45 181.27 1yrl h GLU 294 N 0.14 0.64 -0.14 3.15 4.81 -0.89 -1.71 114.58 120.58 1yrl h GLU 294 Ca -0.05 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 58.90 1yrl h GLU 294 Cb 1.51 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.85 1yrl h GLU 294 CO 0.14 0.82 -0.05 0.82 -0.73 0.00 0.00 179.01 180.01 1yrl h ILE 295 N 0.43 1.30 -0.00 2.32 2.04 -1.37 -3.27 117.51 118.95 1yrl h ILE 295 Ca 0.08 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.92 1yrl h ILE 295 Cb 0.58 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 1yrl h ILE 295 CO 0.03 0.30 -0.05 0.23 0.00 0.00 0.00 178.15 178.67 1yrl n MET 296 N -4.69 0.56 0.05 2.37 2.81 -0.66 -4.29 117.12 113.27 1yrl n MET 296 Ca -0.06 -0.09 -0.12 0.00 -1.81 0.00 0.00 57.70 55.62 1yrl n MET 296 Cb 0.27 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.23 1yrl n MET 296 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1yrl h ALA 297 N 3.53 -0.50 -0.97 3.04 0.00 -1.36 -0.91 119.26 122.10 1yrl h ALA 297 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1yrl h ALA 297 Cb 0.30 0.61 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 1yrl h ALA 297 CO 0.00 -0.85 0.63 -1.00 0.00 0.00 0.00 179.25 178.02 1yrl h PRO 298 N -0.49 1.02 -0.59 0.00 0.13 -1.82 -0.21 132.00 130.05 1yrl h PRO 298 Ca 0.06 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 65.05 1yrl h PRO 298 Cb 0.58 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 31.46 1yrl h PRO 298 CO -0.29 0.68 0.03 1.25 -0.23 0.00 0.00 178.00 179.44 1yrl h LEU 299 N 1.05 0.99 -0.51 1.56 5.85 -1.67 0.40 115.31 122.98 1yrl h LEU 299 Ca 0.45 -0.29 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 1yrl h LEU 299 Cb 0.32 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1yrl h LEU 299 CO -0.20 1.04 0.08 -0.26 -0.34 0.00 0.00 178.44 178.75 1yrl h PHE 300 N 0.91 0.91 0.39 1.25 -1.00 -0.67 -2.06 116.94 116.68 1yrl h PHE 300 Ca 0.17 -0.13 -0.01 0.00 2.81 0.00 0.00 57.97 60.81 1yrl h PHE 300 Cb 0.51 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 1yrl h PHE 300 CO 0.04 0.83 -0.25 1.96 -1.61 0.00 0.00 178.31 179.27 1yrl h GLN 301 N 0.74 -0.60 -0.62 1.51 4.20 -0.68 -1.57 115.11 118.09 1yrl h GLN 301 Ca 0.16 0.04 0.13 0.00 0.06 0.00 0.00 58.65 59.03 1yrl h GLN 301 Cb 0.41 0.14 -0.11 0.00 0.30 0.00 0.00 27.48 28.22 1yrl h GLN 301 CO 0.01 -0.40 -0.05 -0.22 -0.67 0.00 0.00 178.83 177.50 1yrl h LYS 302 N -0.62 0.07 0.09 1.46 3.64 -0.08 0.17 116.57 121.30 1yrl h LYS 302 Ca -0.04 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1yrl h LYS 302 Cb 0.52 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 1yrl h LYS 302 CO 0.03 0.04 -0.25 0.45 -2.27 0.00 0.00 179.45 177.45 1yrl h HIS 303 N 0.07 -0.67 -0.29 1.91 3.86 -1.02 0.26 115.15 119.27 1yrl h HIS 303 Ca 0.32 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.57 1yrl h HIS 303 Cb 0.51 0.28 -0.03 0.00 1.06 0.00 0.00 27.41 29.23 1yrl h HIS 303 CO -0.42 -0.35 0.11 1.98 0.86 0.00 0.00 177.93 180.11 1yrl h MET 304 N -0.44 0.23 -0.51 2.45 1.85 -0.51 -0.54 114.93 117.46 1yrl h MET 304 Ca 0.04 -0.01 0.04 0.00 -0.61 0.00 0.00 59.70 59.15 1yrl h MET 304 Cb 0.48 -0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.42 1yrl h MET 304 CO -0.16 0.15 0.27 -0.44 -0.40 0.00 0.00 176.91 176.34 1yrl h ASP 305 N 0.24 0.41 0.35 1.39 3.32 -0.38 -1.11 116.42 120.65 1yrl h ASP 305 Ca 0.12 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 1yrl h ASP 305 Cb 0.08 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1yrl h ASP 305 CO -0.12 0.28 -0.38 0.44 -1.72 0.00 0.00 179.24 177.75 1yrl h ASP 306 N 0.53 0.03 -0.23 6.45 3.32 -0.59 0.64 116.42 126.59 1yrl h ASP 306 Ca 0.22 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.17 1yrl h ASP 306 Cb 0.10 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1yrl h ASP 306 CO -0.14 0.41 -0.14 0.40 -1.72 0.00 0.00 179.24 178.05 1yrl h ILE 307 N 0.03 1.25 0.22 0.35 2.04 -0.10 -0.83 117.51 120.48 1yrl h ILE 307 Ca 0.00 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 1yrl h ILE 307 Cb 0.68 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1yrl h ILE 307 CO 0.05 0.38 -0.11 0.40 0.00 0.00 0.00 178.15 178.88 1yrl h ILE 308 N 0.58 0.00 0.00 -0.67 1.08 -0.71 -3.26 117.51 114.52 1yrl h ILE 308 Ca 0.10 -0.62 0.00 0.00 -0.39 0.00 0.00 64.86 63.95 1yrl h ILE 308 Cb 0.58 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 1yrl h ILE 308 CO 0.04 0.00 0.23 -1.54 -0.69 0.00 0.00 178.15 176.19 1yrl n SER 309 N -4.51 0.31 0.00 1.72 3.41 0.17 -4.74 113.62 109.97 1yrl n SER 309 Ca -0.04 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1yrl n SER 309 Cb 0.12 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1yrl n SER 309 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yrl n GLY 310 N -1.29 1.14 0.36 5.00 0.00 -0.68 -4.90 105.19 104.82 1yrl n GLY 310 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1yrl n GLY 310 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1yrl h GLU 311 N 3.33 0.45 0.31 1.61 4.57 -1.48 0.97 114.58 124.34 1yrl h GLU 311 Ca 0.00 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1yrl h GLU 311 Cb 0.00 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1yrl h GLU 311 CO 0.00 0.30 -0.15 0.35 -1.18 0.00 0.00 179.01 178.33 1yrl h PHE 312 N 0.47 -0.39 -0.98 0.92 3.57 -1.67 -1.48 116.94 117.37 1yrl h PHE 312 Ca 0.30 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.94 1yrl h PHE 312 Cb 0.55 0.13 -0.09 0.00 2.79 0.00 0.00 35.95 39.33 1yrl h PHE 312 CO -0.00 -0.24 0.61 0.66 -2.23 0.00 0.00 178.31 177.11 1yrl h SER 313 N -0.82 0.81 0.12 0.41 4.64 -1.79 0.17 113.55 117.08 1yrl h SER 313 Ca -0.04 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1yrl h SER 313 Cb 0.32 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1yrl h SER 313 CO 0.07 0.38 -0.06 -1.28 -0.87 0.00 0.00 176.83 175.07 1yrl h SER 314 N 0.83 -0.13 -0.64 4.97 0.87 -0.87 -0.94 113.55 117.64 1yrl h SER 314 Ca 0.51 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 61.00 1yrl h SER 314 Cb 0.70 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.67 1yrl h SER 314 CO -0.29 -0.03 0.33 1.23 -0.53 0.00 0.00 176.83 177.55 1yrl h GLY 315 N -0.23 0.96 0.86 5.77 0.00 0.02 -2.24 103.07 108.21 1yrl h GLY 315 Ca -0.02 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 1yrl h GLY 315 CO 0.03 0.43 -0.04 1.98 0.00 0.00 0.00 176.54 178.93 1yrl h MET 316 N 0.87 0.50 -0.33 4.80 -1.53 -0.70 -2.63 114.93 115.91 1yrl h MET 316 Ca 0.22 -0.18 0.07 0.00 -3.44 0.00 0.00 59.70 56.37 1yrl h MET 316 Cb 0.07 -0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.07 1yrl h MET 316 CO -0.03 0.69 0.23 0.52 0.14 0.00 0.00 176.91 178.46 1yrl h MET 317 N 0.25 0.13 0.06 0.39 2.86 -1.06 0.11 114.93 117.67 1yrl h MET 317 Ca 0.07 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1yrl h MET 317 Cb 0.50 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1yrl h MET 317 CO 0.02 0.08 -0.03 0.00 1.06 0.00 0.00 176.91 178.05 1yrl h ALA 318 N 1.83 -0.08 -0.49 6.32 0.00 -1.04 -1.93 119.26 123.88 1yrl h ALA 318 Ca 0.15 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1yrl h ALA 318 Cb 0.43 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1yrl h ALA 318 CO -0.02 -0.53 0.33 0.22 0.00 0.00 0.00 179.25 179.25 1yrl h ASP 319 N -0.10 0.33 -0.59 0.00 3.58 -0.60 -1.37 116.42 117.68 1yrl h ASP 319 Ca -0.01 0.00 0.08 0.00 0.42 0.00 0.00 57.03 57.53 1yrl h ASP 319 Cb 0.08 -0.07 -0.07 0.00 1.72 0.00 0.00 39.33 40.99 1yrl h ASP 319 CO 0.01 0.21 0.23 -0.50 -2.88 0.00 0.00 179.24 176.32 1yrl h TRP 320 N 0.38 0.41 0.00 0.28 4.06 -0.35 0.13 115.95 120.86 1yrl h TRP 320 Ca 0.22 0.03 -0.09 0.00 2.06 0.00 0.00 58.89 61.10 1yrl h TRP 320 Cb 0.37 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.42 1yrl h TRP 320 CO -0.00 0.12 -0.44 0.00 -3.56 0.00 0.00 178.44 174.56 1yrl h ALA 321 N 1.39 0.89 -0.22 1.49 0.00 -1.13 -3.04 119.26 118.65 1yrl h ALA 321 Ca 0.29 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1yrl h ALA 321 Cb 0.33 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1yrl h ALA 321 CO -0.28 0.55 0.08 -1.71 0.00 0.00 0.00 179.25 177.89 1yrl n ASN 322 N -3.46 2.73 -1.72 0.00 4.05 -0.48 -4.83 115.26 111.54 1yrl n ASN 322 Ca 0.00 -2.35 -0.16 0.00 0.45 0.00 0.00 54.58 52.52 1yrl n ASN 322 Cb 0.58 -0.57 -0.02 0.00 1.23 0.00 0.00 39.78 41.00 1yrl n ASN 322 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1yrl n ASP 323 N 0.12 -4.84 -3.00 1.20 10.43 -1.13 -2.78 116.55 116.55 1yrl n ASP 323 Ca 0.12 0.07 -0.22 0.00 2.57 0.00 0.00 54.79 57.33 1yrl n ASP 323 Cb 0.66 -3.91 0.05 0.00 1.84 0.00 0.00 41.12 39.75 1yrl n ASP 323 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1yrl n ASP 324 N -0.99 -5.97 -0.04 -2.24 8.00 0.35 -4.93 116.55 110.73 1yrl n ASP 324 Ca -0.19 -0.33 -0.10 0.00 0.71 0.00 0.00 54.79 54.88 1yrl n ASP 324 Cb 0.62 -4.74 -0.07 0.00 -0.02 0.00 0.00 41.12 36.92 1yrl n ASP 324 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1yrl h LYS 325 N -1.65 -0.34 -0.08 -1.24 1.63 -1.68 -0.59 116.57 112.62 1yrl h LYS 325 Ca -0.51 0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.33 1yrl h LYS 325 Cb 1.35 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 33.03 1yrl h LYS 325 CO 0.54 -0.23 -0.04 0.87 -3.45 0.00 0.00 179.45 177.14 1yrl h LYS 326 N -0.35 -0.04 -0.79 1.90 1.57 -1.90 0.53 116.57 117.49 1yrl h LYS 326 Ca 0.03 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.92 1yrl h LYS 326 Cb 0.44 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.69 1yrl h LYS 326 CO -0.34 -0.03 0.42 1.25 -0.57 0.00 0.00 179.45 180.19 1yrl h LEU 327 N -0.04 0.57 -0.02 2.94 7.12 -1.91 0.39 115.31 124.36 1yrl h LEU 327 Ca 0.05 0.06 -0.23 0.00 0.13 0.00 0.00 57.88 57.89 1yrl h LEU 327 Cb 0.11 -0.04 0.02 0.00 -0.53 0.00 0.00 40.66 40.22 1yrl h LEU 327 CO -0.10 0.31 -0.88 -0.07 -0.13 0.00 0.00 178.44 177.56 1yrl h LEU 328 N 0.69 0.81 -0.48 2.25 3.38 -0.86 -1.95 115.31 119.15 1yrl h LEU 328 Ca 0.39 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1yrl h LEU 328 Cb 0.42 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1yrl h LEU 328 CO -0.28 1.43 0.32 0.74 0.09 0.00 0.00 178.44 180.74 1yrl h THR 329 N 0.26 1.13 -0.63 0.22 2.02 -0.43 -0.26 112.91 115.22 1yrl h THR 329 Ca -0.11 -0.24 -0.08 0.00 0.77 0.00 0.00 66.41 66.75 1yrl h THR 329 Cb 1.55 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 1yrl h THR 329 CO 0.17 0.12 0.07 -0.50 0.37 0.00 0.00 175.52 175.76 1yrl h TRP 330 N 0.65 1.13 -0.52 3.16 6.55 -0.98 -1.67 115.95 124.26 1yrl h TRP 330 Ca 0.18 -0.17 0.01 0.00 0.95 0.00 0.00 58.89 59.86 1yrl h TRP 330 Cb -0.07 -0.31 -0.03 0.00 -0.86 0.00 0.00 29.16 27.90 1yrl h TRP 330 CO -0.04 0.97 0.33 -0.09 -1.05 0.00 0.00 178.44 178.56 1yrl h ARG 331 N 0.98 0.65 -0.17 0.49 2.43 -0.75 -0.91 114.38 117.10 1yrl h ARG 331 Ca 0.19 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1yrl h ARG 331 Cb 0.47 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1yrl h ARG 331 CO 0.02 0.43 0.09 1.49 -1.51 0.00 0.00 179.97 180.49 1yrl h GLU 332 N 0.67 0.24 -0.50 0.20 4.81 -0.76 -2.17 114.58 117.08 1yrl h GLU 332 Ca 0.20 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1yrl h GLU 332 Cb -0.03 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 1yrl h GLU 332 CO -0.07 0.26 0.26 1.49 -0.73 0.00 0.00 179.01 180.22 1yrl h GLU 333 N 0.16 0.49 -0.33 1.92 4.57 -1.10 -2.54 114.58 117.75 1yrl h GLU 333 Ca 0.06 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1yrl h GLU 333 Cb 0.09 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1yrl h GLU 333 CO -0.01 0.33 0.18 1.15 -1.18 0.00 0.00 179.01 179.48 1yrl h THR 334 N 0.51 1.01 0.00 0.32 2.02 -1.00 -1.98 112.91 113.79 1yrl h THR 334 Ca 0.21 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1yrl h THR 334 Cb 0.11 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1yrl h THR 334 CO -0.14 0.07 0.00 0.61 0.37 0.00 0.00 175.52 176.42 1yrl n GLY 335 N -1.19 -0.73 0.99 2.16 0.00 -0.83 -1.10 105.19 104.49 1yrl n GLY 335 Ca -0.00 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.11 1yrl n GLY 335 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yrl n LYS 336 N -1.50 2.26 -2.30 1.61 4.76 -0.75 -4.71 118.16 117.54 1yrl n LYS 336 Ca 0.02 -2.03 -0.37 0.00 -2.87 0.00 0.00 58.31 53.06 1yrl n LYS 336 Cb 0.08 -1.46 -0.01 0.00 -1.84 0.00 0.00 35.03 31.80 1yrl n LYS 336 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1yrl s THR 337 N -1.65 3.20 0.18 -0.18 -4.23 -0.26 -4.91 115.64 107.80 1yrl s THR 337 Ca 0.31 0.89 -0.16 0.00 -1.18 0.00 0.00 61.69 61.54 1yrl s THR 337 Cb 0.20 -3.44 0.13 0.00 1.34 0.00 0.00 72.50 70.73 1yrl s THR 337 CO 0.29 -0.03 1.65 0.00 -0.54 0.00 0.00 174.62 175.99 1yrl h ALA 338 N 2.01 0.27 -0.74 3.99 0.00 -1.93 -0.35 119.26 122.50 1yrl h ALA 338 Ca -0.49 0.18 0.15 0.00 0.00 0.00 0.00 54.91 54.74 1yrl h ALA 338 Cb 1.24 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 19.37 1yrl h ALA 338 CO 0.60 -0.47 0.50 0.35 0.00 0.00 0.00 179.25 180.23 1yrl h PHE 339 N -0.03 0.47 0.00 0.00 3.04 -1.94 0.56 116.94 119.04 1yrl h PHE 339 Ca 0.22 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.11 1yrl h PHE 339 Cb 0.36 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 1yrl h PHE 339 CO -0.41 0.18 -0.35 0.93 -2.02 0.00 0.00 178.31 176.63 1yrl h GLU 340 N 0.40 0.00 0.00 1.11 4.39 -1.36 -3.34 114.58 115.78 1yrl h GLU 340 Ca 0.36 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.05 1yrl h GLU 340 Cb 0.84 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1yrl h GLU 340 CO -0.11 0.35 -1.60 0.25 -1.16 0.00 0.00 179.01 176.74 1yrl n THR 341 N -3.28 0.05 -1.38 1.13 -2.24 -0.60 -5.02 114.28 102.94 1yrl n THR 341 Ca 0.02 -0.31 -0.37 0.00 -2.27 0.00 0.00 64.05 61.12 1yrl n THR 341 Cb 0.61 0.16 0.06 0.00 -2.10 0.00 0.00 70.33 69.05 1yrl n THR 341 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yrl n ALA 342 N -1.97 -1.01 -1.77 6.98 0.00 0.19 -4.94 120.51 117.99 1yrl n ALA 342 Ca -0.03 -0.14 -0.39 0.00 0.00 0.00 0.00 53.44 52.88 1yrl n ALA 342 Cb 0.37 -1.92 -0.05 0.00 0.00 0.00 0.00 19.45 17.85 1yrl n ALA 342 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1yrl s PRO 343 N -2.66 4.59 -0.17 0.00 0.04 -1.26 -5.02 135.00 130.52 1yrl s PRO 343 Ca 0.69 1.53 -0.21 0.00 0.04 0.00 0.00 61.00 63.05 1yrl s PRO 343 Cb -0.38 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 1yrl s PRO 343 CO 0.54 0.24 0.63 -1.14 0.04 0.00 0.00 177.00 177.32 1yrl s GLN 344 N -1.75 4.26 0.26 4.56 0.74 -1.26 -3.94 119.66 122.52 1yrl s GLN 344 Ca 0.48 0.65 -0.29 0.00 0.05 0.00 0.00 55.36 56.24 1yrl s GLN 344 Cb -0.25 -3.55 -0.15 0.00 1.10 0.00 0.00 33.01 30.17 1yrl s GLN 344 CO 0.31 -0.16 0.99 0.98 -0.55 0.00 0.00 175.29 176.86 1yrl n TYR 345 N 4.75 1.10 0.05 1.67 4.19 0.83 -4.91 117.16 124.84 1yrl n TYR 345 Ca -0.02 0.73 -0.16 0.00 3.31 0.00 0.00 57.90 61.76 1yrl n TYR 345 Cb 0.50 -2.23 -0.14 0.00 0.49 0.00 0.00 39.34 37.96 1yrl n TYR 345 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 1yrl h GLU 346 N 2.17 0.22 -7.25 2.98 4.57 -1.95 -3.48 114.58 111.83 1yrl h GLU 346 Ca -0.39 -0.37 -0.45 0.00 -1.18 0.00 0.00 59.36 56.97 1yrl h GLU 346 Cb 1.35 0.14 0.19 0.00 -0.16 0.00 0.00 28.75 30.26 1yrl h GLU 346 CO 0.62 1.05 0.11 0.20 -1.18 0.00 0.00 179.01 179.81 1yrl s GLY 347 N -5.03 1.56 0.34 1.92 0.00 -1.26 -5.01 107.32 99.84 1yrl s GLY 347 Ca -0.10 -0.21 -0.10 0.00 0.00 0.00 0.00 44.72 44.32 1yrl s GLY 347 CO 0.84 0.45 0.69 1.25 0.00 0.00 0.00 173.10 176.33 1yrl s LYS 348 N -4.71 3.79 -0.11 2.90 2.47 -1.26 -5.08 119.74 117.74 1yrl s LYS 348 Ca 0.67 0.39 0.02 0.00 -1.56 0.00 0.00 55.97 55.48 1yrl s LYS 348 Cb -0.22 -2.48 0.01 0.00 -1.46 0.00 0.00 37.83 33.68 1yrl s LYS 348 CO 0.61 0.10 -0.16 0.42 0.16 0.00 0.00 175.35 176.47 1yrl s ILE 349 N -2.17 1.58 0.54 5.43 1.01 -1.26 -5.12 121.20 121.21 1yrl s ILE 349 Ca 0.50 -0.69 -0.20 0.00 0.00 0.00 0.00 60.65 60.26 1yrl s ILE 349 Cb -0.10 -1.44 -0.06 0.00 0.01 0.00 0.00 42.46 40.87 1yrl s ILE 349 CO 0.27 0.46 1.12 -0.83 0.00 0.00 0.00 174.94 175.96 1yrl s GLY 350 N 0.98 2.63 0.17 6.18 0.00 -1.26 -4.93 107.32 111.09 1yrl s GLY 350 Ca -0.06 0.82 -0.20 0.00 0.00 0.00 0.00 44.72 45.27 1yrl s GLY 350 CO -0.02 1.17 1.62 -2.09 0.00 0.00 0.00 173.10 173.78 1yrl h GLU 351 N 1.24 -0.17 -0.06 2.90 4.81 -2.01 -0.27 114.58 121.02 1yrl h GLU 351 Ca -0.50 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 58.76 1yrl h GLU 351 Cb 1.26 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 1yrl h GLU 351 CO 0.57 -0.11 0.05 0.37 -0.73 0.00 0.00 179.01 179.16 1yrl h GLN 352 N -0.18 0.00 -0.45 1.92 5.75 -2.00 -2.00 115.11 118.15 1yrl h GLN 352 Ca 0.19 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.63 1yrl h GLN 352 Cb 0.47 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 1yrl h GLN 352 CO -0.49 0.00 0.06 0.93 -2.65 0.00 0.00 178.83 176.68 1yrl h GLU 353 N 0.00 0.75 -0.56 1.69 5.08 -1.41 0.62 114.58 120.75 1yrl h GLU 353 Ca 0.03 -0.21 0.12 0.00 -1.00 0.00 0.00 59.36 58.30 1yrl h GLU 353 Cb 0.13 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1yrl h GLU 353 CO -0.00 0.78 0.38 1.88 -1.00 0.00 0.00 179.01 181.05 1yrl h TYR 354 N 0.60 0.28 0.07 4.33 -1.99 -1.21 0.25 116.97 119.30 1yrl h TYR 354 Ca 0.13 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.87 1yrl h TYR 354 Cb 0.40 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.04 1yrl h TYR 354 CO 0.03 0.12 -0.03 0.74 -0.00 0.00 0.00 178.16 179.02 1yrl h PHE 355 N 0.25 -0.08 -0.82 4.88 -1.00 -1.39 -2.82 116.94 115.96 1yrl h PHE 355 Ca 0.26 -0.00 0.20 0.00 2.81 0.00 0.00 57.97 61.24 1yrl h PHE 355 Cb 0.70 0.03 -0.12 0.00 3.61 0.00 0.00 35.95 40.16 1yrl h PHE 355 CO -0.00 -0.05 0.24 -0.44 -1.61 0.00 0.00 178.31 176.45 1yrl h ASP 356 N -0.44 0.08 0.24 2.17 3.32 -0.62 0.29 116.42 121.46 1yrl h ASP 356 Ca -0.01 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1yrl h ASP 356 Cb 0.07 0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1yrl h ASP 356 CO 0.02 -0.06 -0.13 0.29 -1.72 0.00 0.00 179.24 177.63 1yrl n LYS 357 N -5.15 0.90 -1.30 3.56 5.02 0.86 -3.97 118.16 118.08 1yrl n LYS 357 Ca 0.18 -0.41 -0.14 0.00 -2.02 0.00 0.00 58.31 55.93 1yrl n LYS 357 Cb 0.57 -1.49 0.12 0.00 -0.02 0.00 0.00 35.03 34.21 1yrl n LYS 357 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yrl n GLY 358 N 1.26 5.62 0.44 0.72 0.00 0.10 0.95 105.19 114.28 1yrl n GLY 358 Ca 0.15 -1.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 1yrl n GLY 358 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1yrl h VAL 359 N 1.43 0.07 -0.34 1.61 2.07 -1.57 -0.60 116.25 118.92 1yrl h VAL 359 Ca 0.30 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.86 1yrl h VAL 359 Cb 1.42 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1yrl h VAL 359 CO 0.63 0.00 0.23 0.25 0.02 0.00 0.00 177.57 178.70 1yrl h LEU 360 N -0.54 0.23 -0.38 2.57 5.85 -0.38 -0.87 115.31 121.79 1yrl h LEU 360 Ca 0.05 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1yrl h LEU 360 Cb 0.66 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1yrl h LEU 360 CO -0.42 0.16 -0.01 0.24 -0.34 0.00 0.00 178.44 178.07 1yrl h MET 361 N 0.27 0.68 -0.11 1.25 2.86 -1.49 -0.22 114.93 118.17 1yrl h MET 361 Ca 0.14 -0.22 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1yrl h MET 361 Cb 0.24 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1yrl h MET 361 CO -0.03 0.78 0.02 0.82 1.06 0.00 0.00 176.91 179.57 1yrl h ILE 362 N 0.50 0.96 -0.58 -1.22 2.04 0.15 -1.67 117.51 117.68 1yrl h ILE 362 Ca 0.11 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.99 1yrl h ILE 362 Cb 0.49 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 1yrl h ILE 362 CO 0.02 0.01 0.31 0.00 0.00 0.00 0.00 178.15 178.49 1yrl h ALA 363 N 1.08 0.76 -0.78 1.87 0.00 -1.08 -0.45 119.26 120.65 1yrl h ALA 363 Ca 0.05 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1yrl h ALA 363 Cb 0.04 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1yrl h ALA 363 CO -0.06 -0.03 0.51 0.52 0.00 0.00 0.00 179.25 180.19 1yrl h MET 364 N 0.58 0.89 -0.30 0.00 2.86 -0.61 0.37 114.93 118.73 1yrl h MET 364 Ca 0.26 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.74 1yrl h MET 364 Cb 0.15 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1yrl h MET 364 CO -0.17 0.59 -0.23 0.28 1.06 0.00 0.00 176.91 178.44 1yrl h VAL 365 N 0.92 1.30 0.20 -2.22 2.07 -0.36 0.34 116.25 118.49 1yrl h VAL 365 Ca 0.32 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 1yrl h VAL 365 Cb 0.11 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1yrl h VAL 365 CO -0.10 0.44 -0.10 0.50 0.02 0.00 0.00 177.57 178.34 1yrl h LYS 366 N 0.44 -0.26 0.01 1.57 3.64 0.18 -0.18 116.57 121.97 1yrl h LYS 366 Ca 0.06 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1yrl h LYS 366 Cb 0.78 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 1yrl h LYS 366 CO 0.06 -0.11 -0.11 0.00 -2.27 0.00 0.00 179.45 177.02 1yrl h ALA 367 N 0.45 -0.13 -0.29 5.00 0.00 -0.30 -1.82 119.26 122.16 1yrl h ALA 367 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1yrl h ALA 367 Cb 0.27 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1yrl h ALA 367 CO 0.04 -0.61 0.15 0.78 0.00 0.00 0.00 179.25 179.62 1yrl h GLY 368 N -0.19 0.40 0.87 0.00 0.00 -0.84 0.68 103.07 103.98 1yrl h GLY 368 Ca 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1yrl h GLY 368 CO -0.11 0.09 -0.22 -2.08 0.00 0.00 0.00 176.54 174.23 1yrl h VAL 369 N 0.32 0.55 0.13 4.60 2.07 -0.91 -0.59 116.25 122.42 1yrl h VAL 369 Ca 0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 1yrl h VAL 369 Cb 0.03 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1yrl h VAL 369 CO -0.08 0.00 -0.06 -0.33 0.02 0.00 0.00 177.57 177.12 1yrl h GLU 370 N -0.53 -0.17 -0.94 1.57 5.08 -1.27 -1.53 114.58 116.79 1yrl h GLU 370 Ca -0.03 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.42 1yrl h GLU 370 Cb 0.45 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 1yrl h GLU 370 CO 0.02 -0.01 0.59 1.25 -1.00 0.00 0.00 179.01 179.86 1yrl h LEU 371 N -0.29 0.90 -0.28 1.33 5.85 -0.84 0.61 115.31 122.59 1yrl h LEU 371 Ca -0.02 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1yrl h LEU 371 Cb 0.24 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1yrl h LEU 371 CO 0.03 0.54 -0.00 0.00 -0.34 0.00 0.00 178.44 178.67 1yrl h ALA 372 N 1.46 0.38 0.43 1.25 0.00 -0.94 0.01 119.26 121.85 1yrl h ALA 372 Ca 0.43 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1yrl h ALA 372 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1yrl h ALA 372 CO -0.21 0.13 -0.21 0.35 0.00 0.00 0.00 179.25 179.31 1yrl h PHE 373 N 0.28 -0.54 -0.31 0.00 3.57 -0.56 -0.94 116.94 118.44 1yrl h PHE 373 Ca 0.08 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.64 1yrl h PHE 373 Cb 0.43 0.18 -0.08 0.00 2.79 0.00 0.00 35.95 39.27 1yrl h PHE 373 CO 0.04 -0.29 -0.26 0.93 -2.23 0.00 0.00 178.31 176.49 1yrl h GLU 374 N -0.65 -0.23 -0.22 1.11 5.08 0.26 -0.70 114.58 119.23 1yrl h GLU 374 Ca -0.06 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1yrl h GLU 374 Cb 0.49 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1yrl h GLU 374 CO 0.10 -0.15 0.01 1.15 -1.00 0.00 0.00 179.01 179.12 1yrl h THR 375 N -0.24 1.13 -0.04 1.13 2.02 -0.88 -0.44 112.91 115.58 1yrl h THR 375 Ca 0.16 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 1yrl h THR 375 Cb 0.49 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1yrl h THR 375 CO -0.45 0.17 -0.09 0.24 0.37 0.00 0.00 175.52 175.76 1yrl h MET 376 N 0.31 0.14 -0.70 6.66 2.86 -0.31 -3.17 114.93 120.72 1yrl h MET 376 Ca 0.07 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1yrl h MET 376 Cb 0.19 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 1yrl h MET 376 CO 0.00 0.67 0.45 0.28 1.06 0.00 0.00 176.91 179.37 1yrl h VAL 377 N -0.38 1.14 0.00 -2.22 2.07 -0.89 0.58 116.25 116.55 1yrl h VAL 377 Ca 0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1yrl h VAL 377 Cb 0.67 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1yrl h VAL 377 CO 0.02 0.16 0.00 0.47 0.02 0.00 0.00 177.57 178.24 1yrl n ASP 378 N -4.63 0.00 -0.14 0.57 8.00 -0.20 -1.47 116.55 118.68 1yrl n ASP 378 Ca 0.07 -0.34 0.07 0.00 0.71 0.00 0.00 54.79 55.30 1yrl n ASP 378 Cb 0.05 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.25 1yrl n ASP 378 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1yrl n SER 379 N -0.74 1.82 0.00 -2.24 7.64 0.18 -4.99 113.62 115.30 1yrl n SER 379 Ca 0.03 -2.71 0.00 0.00 1.01 0.00 0.00 58.87 57.20 1yrl n SER 379 Cb 0.01 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1yrl n SER 379 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yrl n GLY 380 N -1.03 0.69 3.77 0.23 0.00 -0.54 -5.02 105.19 103.28 1yrl n GLY 380 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1yrl n GLY 380 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yrl s ILE 381 N -2.77 4.79 0.41 -0.61 1.01 -1.09 -3.52 121.20 119.42 1yrl s ILE 381 Ca 0.00 1.37 -0.26 0.00 0.00 0.00 0.00 60.65 61.76 1yrl s ILE 381 Cb 0.00 -3.99 -0.09 0.00 0.01 0.00 0.00 42.46 38.40 1yrl s ILE 381 CO 0.00 0.44 1.32 -0.63 0.00 0.00 0.00 174.94 176.06 1yrl s ILE 382 N -0.40 2.56 0.31 2.92 1.09 -1.25 -4.00 121.20 122.41 1yrl s ILE 382 Ca 0.33 0.50 0.05 0.00 -1.10 0.00 0.00 60.65 60.42 1yrl s ILE 382 Cb -0.19 -3.29 0.30 0.00 -1.06 0.00 0.00 42.46 38.21 1yrl s ILE 382 CO 0.20 0.07 1.82 -0.33 -0.10 0.00 0.00 174.94 176.60 1yrl h GLU 383 N 2.63 0.82 -0.55 2.79 5.08 -1.96 0.27 114.58 123.68 1yrl h GLU 383 Ca -0.50 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 57.84 1yrl h GLU 383 Cb 1.25 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1yrl h GLU 383 CO 0.62 0.54 0.33 0.93 -1.00 0.00 0.00 179.01 180.44 1yrl h GLU 384 N 0.84 0.65 -0.07 2.33 4.39 -1.91 0.64 114.58 121.45 1yrl h GLU 384 Ca 0.52 -0.04 -0.18 0.00 0.34 0.00 0.00 59.36 60.00 1yrl h GLU 384 Cb 0.70 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1yrl h GLU 384 CO -0.29 0.43 -0.72 1.03 -1.16 0.00 0.00 179.01 178.29 1yrl h SER 385 N 0.67 0.45 -0.12 1.42 0.87 -1.12 -3.15 113.55 112.57 1yrl h SER 385 Ca 0.22 -0.30 -0.10 0.00 -1.23 0.00 0.00 61.79 60.38 1yrl h SER 385 Cb 0.00 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1yrl h SER 385 CO -0.09 1.03 -0.22 0.00 -0.53 0.00 0.00 176.83 177.02 1yrl h ALA 386 N 0.96 1.08 0.50 6.23 0.00 -0.12 -3.13 119.26 124.78 1yrl h ALA 386 Ca -0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1yrl h ALA 386 Cb 1.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1yrl h ALA 386 CO 0.12 0.56 -0.26 -0.92 0.00 0.00 0.00 179.25 178.76 1yrl h TYR 387 N 0.48 -0.68 -0.98 0.00 3.20 -0.84 -2.05 116.97 116.09 1yrl h TYR 387 Ca 0.07 -0.01 0.28 0.00 3.14 0.00 0.00 58.73 62.21 1yrl h TYR 387 Cb 0.65 0.23 -0.05 0.00 1.54 0.00 0.00 36.73 39.10 1yrl h TYR 387 CO 0.02 -0.41 0.69 1.88 -1.64 0.00 0.00 178.16 178.71 1yrl h TYR 388 N -0.70 0.14 -0.05 -3.82 -1.99 -1.61 0.24 116.97 109.18 1yrl h TYR 388 Ca -0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.67 1yrl h TYR 388 Cb 0.54 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.23 1yrl h TYR 388 CO 0.07 0.02 0.00 0.39 -0.00 0.00 0.00 178.16 178.64 1yrl n GLU 389 N -4.31 2.01 -0.09 4.88 -0.58 -1.15 -3.53 120.64 117.86 1yrl n GLU 389 Ca 0.21 -1.48 0.01 0.00 -0.42 0.00 0.00 57.16 55.48 1yrl n GLU 389 Cb 0.99 -1.47 0.01 0.00 -0.57 0.00 0.00 31.44 30.41 1yrl n GLU 389 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1yrl n SER 390 N 0.78 0.59 0.00 1.62 3.41 -0.03 -4.15 113.62 115.83 1yrl n SER 390 Ca 0.17 -1.53 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 1yrl n SER 390 Cb 0.48 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1yrl n SER 390 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1yrl n LEU 391 N -0.21 0.00 -0.18 1.04 7.94 -0.57 -4.57 117.00 120.46 1yrl n LEU 391 Ca 0.01 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.90 1yrl n LEU 391 Cb 0.49 0.49 0.07 0.00 0.53 0.00 0.00 43.42 45.00 1yrl n LEU 391 CO 0.00 -0.50 0.82 -0.74 -1.11 0.00 0.00 177.39 175.86 1yrl h HIS 392 N 0.00 -0.09 0.00 1.96 2.76 -1.65 -2.37 115.15 115.75 1yrl h HIS 392 Ca 0.00 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1yrl h HIS 392 Cb 0.00 0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.09 1yrl h HIS 392 CO 0.00 -0.16 -0.32 0.39 -1.30 0.00 0.00 177.93 176.54 1yrl n GLU 393 N -5.28 0.08 -0.28 5.26 1.02 -1.23 -4.15 120.64 116.06 1yrl n GLU 393 Ca 0.07 0.04 0.08 0.00 -0.02 0.00 0.00 57.16 57.33 1yrl n GLU 393 Cb 0.30 -1.56 0.24 0.00 -0.02 0.00 0.00 31.44 30.39 1yrl n GLU 393 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1yrl h LEU 394 N 0.00 0.29 -0.76 -4.62 5.85 -1.76 -0.41 115.31 113.90 1yrl h LEU 394 Ca 0.00 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1yrl h LEU 394 Cb 0.57 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 1yrl h LEU 394 CO 0.00 0.06 0.47 -0.65 -0.34 0.00 0.00 178.44 177.97 1yrl h PRO 395 N 0.43 0.85 -0.62 5.25 0.11 -1.73 -1.50 132.00 134.79 1yrl h PRO 395 Ca 0.48 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.50 1yrl h PRO 395 Cb 0.80 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.69 1yrl h PRO 395 CO -0.46 0.56 0.26 -0.07 -0.21 0.00 0.00 178.00 178.08 1yrl h LEU 396 N 0.87 0.84 -1.21 2.35 3.38 -1.35 -1.83 115.31 118.38 1yrl h LEU 396 Ca 0.32 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1yrl h LEU 396 Cb 0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1yrl h LEU 396 CO -0.15 0.77 -0.20 0.40 0.09 0.00 0.00 178.44 179.36 1yrl h ILE 397 N 0.86 1.22 -0.20 1.22 1.08 -1.03 -2.19 117.51 118.47 1yrl h ILE 397 Ca 0.21 -1.03 -0.08 0.00 -0.39 0.00 0.00 64.86 63.57 1yrl h ILE 397 Cb 0.19 1.31 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 1yrl h ILE 397 CO -0.02 0.32 -0.24 0.00 -0.69 0.00 0.00 178.15 177.52 1yrl h ALA 398 N 1.52 1.23 -0.12 1.87 0.00 -0.66 -2.13 119.26 120.97 1yrl h ALA 398 Ca 0.05 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1yrl h ALA 398 Cb 0.51 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1yrl h ALA 398 CO 0.03 0.50 -0.19 -0.91 0.00 0.00 0.00 179.25 178.68 1yrl h ASN 399 N 0.32 0.19 0.74 0.00 2.35 -0.71 -2.25 115.58 116.23 1yrl h ASN 399 Ca 0.05 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 1yrl h ASN 399 Cb 0.60 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.93 1yrl h ASN 399 CO 0.04 0.40 -0.35 0.74 -1.65 0.00 0.00 177.43 176.61 1yrl h THR 400 N 0.19 0.15 -0.79 2.81 2.02 -1.19 -2.61 112.91 113.49 1yrl h THR 400 Ca 0.03 -0.20 0.14 0.00 0.77 0.00 0.00 66.41 67.16 1yrl h THR 400 Cb 0.46 0.18 -0.09 0.00 -1.74 0.00 0.00 68.15 66.96 1yrl h THR 400 CO 0.03 0.01 0.37 0.40 0.37 0.00 0.00 175.52 176.70 1yrl h ILE 401 N -1.16 0.71 0.00 3.11 2.04 -1.36 0.18 117.51 121.03 1yrl h ILE 401 Ca -0.10 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 1yrl h ILE 401 Cb 0.78 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1yrl h ILE 401 CO 0.17 0.10 -0.00 0.00 0.00 0.00 0.00 178.15 178.41 1yrl h ALA 402 N 1.54 1.33 0.16 1.87 0.00 -1.33 0.26 119.26 123.09 1yrl h ALA 402 Ca 0.43 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 55.04 1yrl h ALA 402 Cb 0.61 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1yrl h ALA 402 CO -0.37 0.00 -1.45 -0.09 0.00 0.00 0.00 179.25 177.35 1yrl h ARG 403 N 0.00 0.35 -0.18 0.00 2.43 -0.27 -3.44 114.38 113.27 1yrl h ARG 403 Ca -0.00 -0.59 -0.25 0.00 -0.81 0.00 0.00 59.98 58.33 1yrl h ARG 403 Cb 0.01 0.22 -0.19 0.00 -0.42 0.00 0.00 29.97 29.60 1yrl h ARG 403 CO 0.00 1.28 -0.49 1.63 -1.51 0.00 0.00 179.97 180.88 1yrl n LYS 404 N -3.82 1.14 0.00 0.20 4.76 -0.94 -5.05 118.16 114.45 1yrl n LYS 404 Ca -0.22 -2.05 0.00 0.00 -2.87 0.00 0.00 58.31 53.16 1yrl n LYS 404 Cb 0.98 -0.46 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 1yrl n LYS 404 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1yrl n ARG 405 N -0.29 0.00 0.15 1.97 5.12 0.88 -2.03 116.66 122.46 1yrl n ARG 405 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1yrl n ARG 405 Cb 0.80 0.00 0.27 0.00 -1.16 0.00 0.00 32.46 32.38 1yrl n ARG 405 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1yrl h LEU 406 N 0.00 0.08 -0.55 0.55 3.38 -1.92 -3.18 115.31 113.66 1yrl h LEU 406 Ca 0.00 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.03 1yrl h LEU 406 Cb 0.00 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 40.62 1yrl h LEU 406 CO 0.00 0.51 -0.38 0.22 0.09 0.00 0.00 178.44 178.89 1yrl h TYR 407 N 0.06 -1.08 -0.53 1.13 3.20 -1.94 -0.32 116.97 117.49 1yrl h TYR 407 Ca 0.00 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1yrl h TYR 407 Cb 0.81 0.55 -0.03 0.00 1.54 0.00 0.00 36.73 39.61 1yrl h TYR 407 CO 0.00 -0.40 0.31 1.49 -1.64 0.00 0.00 178.16 177.92 1yrl h GLU 408 N -0.21 0.73 0.41 1.82 4.57 -1.39 -0.19 114.58 120.32 1yrl h GLU 408 Ca 0.20 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 1yrl h GLU 408 Cb 0.56 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.97 1yrl h GLU 408 CO -0.66 0.54 -0.52 1.98 -1.18 0.00 0.00 179.01 179.17 1yrl h MET 409 N 0.71 -0.92 0.00 1.92 4.05 -1.29 0.56 114.93 119.96 1yrl h MET 409 Ca 0.19 0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.67 1yrl h MET 409 Cb 0.02 0.21 -0.00 0.00 -0.80 0.00 0.00 31.60 31.02 1yrl h MET 409 CO -0.03 -0.61 -0.00 -0.91 0.23 0.00 0.00 176.91 175.58 1yrl h ASN 410 N -0.95 0.00 1.47 1.39 2.35 -0.98 -1.60 115.58 117.24 1yrl h ASN 410 Ca -0.05 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.59 1yrl h ASN 410 Cb 0.86 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.21 1yrl h ASN 410 CO -0.12 0.00 -0.51 1.62 -1.65 0.00 0.00 177.43 176.77 1yrl h VAL 411 N 0.00 0.88 0.00 2.81 3.04 -0.37 -3.36 116.25 119.26 1yrl h VAL 411 Ca -0.00 -2.23 -0.00 0.00 -1.01 0.00 0.00 66.70 63.46 1yrl h VAL 411 Cb 0.01 2.42 -0.00 0.00 -2.01 0.00 0.00 31.29 31.71 1yrl h VAL 411 CO 0.00 0.50 -0.04 0.58 -1.01 0.00 0.00 177.57 177.60 1yrl h VAL 412 N 0.00 0.29 -4.08 1.51 2.07 -0.00 -3.46 116.25 112.58 1yrl h VAL 412 Ca -0.01 -1.23 -0.54 0.00 0.82 0.00 0.00 66.70 65.75 1yrl h VAL 412 Cb 1.38 0.56 0.19 0.00 -1.52 0.00 0.00 31.29 31.90 1yrl h VAL 412 CO 0.07 0.10 0.22 2.30 0.02 0.00 0.00 177.57 180.27 1yrl n ILE 413 N -4.74 1.74 -0.50 4.57 -5.35 -0.72 -4.97 119.36 109.39 1yrl n ILE 413 Ca -0.02 -0.20 -0.29 0.00 -0.27 0.00 0.00 62.75 61.96 1yrl n ILE 413 Cb 0.10 -1.11 0.27 0.00 -1.74 0.00 0.00 39.64 37.16 1yrl n ILE 413 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1yrl s SER 414 N -2.10 -0.09 0.10 7.28 1.04 -1.26 -4.72 113.70 113.95 1yrl s SER 414 Ca 0.71 1.12 -0.14 0.00 0.48 0.00 0.00 55.95 58.12 1yrl s SER 414 Cb -0.29 -1.67 -0.09 0.00 0.10 0.00 0.00 66.02 64.08 1yrl s SER 414 CO 0.53 -4.80 1.42 0.44 0.98 0.00 0.00 173.24 171.80 1yrl h ASP 415 N -3.04 0.79 -0.97 7.02 3.45 -1.94 -1.26 116.42 120.48 1yrl h ASP 415 Ca -0.52 -0.48 0.12 0.00 0.43 0.00 0.00 57.03 56.58 1yrl h ASP 415 Cb 1.34 -0.22 -0.08 0.00 -0.56 0.00 0.00 39.33 39.80 1yrl h ASP 415 CO 0.39 1.12 0.62 0.74 -1.57 0.00 0.00 179.24 180.54 1yrl h THR 416 N 0.49 0.91 -0.03 0.35 2.02 -1.99 0.54 112.91 115.21 1yrl h THR 416 Ca 0.04 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1yrl h THR 416 Cb 0.91 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1yrl h THR 416 CO 0.08 0.17 -0.01 0.00 0.37 0.00 0.00 175.52 176.13 1yrl h ALA 417 N 1.55 0.04 -0.66 6.16 0.00 -1.86 -1.31 119.26 123.19 1yrl h ALA 417 Ca 0.48 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1yrl h ALA 417 Cb 0.52 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1yrl h ALA 417 CO -0.24 -0.25 0.41 1.49 0.00 0.00 0.00 179.25 180.66 1yrl h GLU 418 N -0.33 0.78 0.01 0.00 4.81 0.03 0.35 114.58 120.22 1yrl h GLU 418 Ca 0.01 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1yrl h GLU 418 Cb 0.42 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1yrl h GLU 418 CO 0.00 0.51 -0.00 -0.92 -0.73 0.00 0.00 179.01 177.88 1yrl h TYR 419 N 0.80 -0.01 -0.71 0.92 3.20 0.04 -0.48 116.97 120.73 1yrl h TYR 419 Ca 0.27 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.20 1yrl h TYR 419 Cb 0.02 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.24 1yrl h TYR 419 CO -0.05 0.00 0.39 0.78 -1.64 0.00 0.00 178.16 177.65 1yrl h GLY 420 N -0.02 1.05 0.41 1.82 0.00 -0.54 0.25 103.07 106.04 1yrl h GLY 420 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1yrl h GLY 420 CO 0.00 0.15 -0.30 -0.57 0.00 0.00 0.00 176.54 175.82 1yrl h ASN 421 N 0.71 -0.78 -0.62 0.19 -1.24 0.11 -1.65 115.58 112.30 1yrl h ASN 421 Ca 0.33 0.05 0.13 0.00 0.71 0.00 0.00 56.30 57.51 1yrl h ASN 421 Cb 0.23 0.24 -0.10 0.00 0.73 0.00 0.00 38.32 39.42 1yrl h ASN 421 CO -0.20 -0.43 0.04 1.88 -1.29 0.00 0.00 177.43 177.43 1yrl h TYR 422 N -0.68 0.04 -0.92 0.67 0.99 -0.83 0.29 116.97 116.54 1yrl h TYR 422 Ca -0.05 0.04 0.22 0.00 2.00 0.00 0.00 58.73 60.94 1yrl h TYR 422 Cb 0.56 0.08 -0.12 0.00 1.00 0.00 0.00 36.73 38.25 1yrl h TYR 422 CO -0.08 -0.13 0.46 1.25 -0.00 0.00 0.00 178.16 179.66 1yrl h LEU 423 N 0.16 0.45 0.09 3.88 5.85 -0.28 -1.49 115.31 123.97 1yrl h LEU 423 Ca 0.33 0.14 -0.15 0.00 0.84 0.00 0.00 57.88 59.04 1yrl h LEU 423 Cb 0.53 0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.65 1yrl h LEU 423 CO -0.50 0.05 -0.72 0.15 -0.34 0.00 0.00 178.44 177.09 1yrl h PHE 424 N 0.48 0.33 0.11 1.25 3.57 0.07 -3.38 116.94 119.36 1yrl h PHE 424 Ca 0.58 -0.24 0.02 0.00 3.53 0.00 0.00 57.97 61.86 1yrl h PHE 424 Cb 1.07 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 1yrl h PHE 424 CO -0.09 1.28 -0.36 0.77 -2.23 0.00 0.00 178.31 177.67 1yrl h SER 425 N -0.59 -1.05 0.00 0.41 0.02 -0.03 0.14 113.55 112.44 1yrl h SER 425 Ca -0.15 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1yrl h SER 425 Cb 1.45 0.40 0.00 0.00 0.14 0.00 0.00 62.40 64.39 1yrl h SER 425 CO 0.06 -0.44 0.00 -1.22 -1.14 0.00 0.00 176.83 174.09 1yrl n TYR 426 N -5.44 0.00 -0.04 3.45 4.01 -0.61 -0.73 117.16 117.81 1yrl n TYR 426 Ca -0.07 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.63 1yrl n TYR 426 Cb 0.35 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.34 1yrl n TYR 426 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1yrl n ALA 427 N -0.94 1.84 -0.06 -0.72 0.00 -0.77 -4.59 120.51 115.27 1yrl n ALA 427 Ca 0.05 -0.36 -0.14 0.00 0.00 0.00 0.00 53.44 52.99 1yrl n ALA 427 Cb 0.02 0.24 -0.07 0.00 0.00 0.00 0.00 19.45 19.65 1yrl n ALA 427 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yrl h VAL 429 N 0.11 0.60 -0.13 0.00 2.07 -1.18 -1.26 116.25 116.46 1yrl h VAL 429 Ca 0.02 -0.02 -0.14 0.00 0.82 0.00 0.00 66.70 67.38 1yrl h VAL 429 Cb 0.80 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1yrl h VAL 429 CO 0.06 0.01 -0.53 -0.65 0.02 0.00 0.00 177.57 176.48 1yrl h PRO 430 N 0.06 0.36 -0.94 1.57 0.11 -1.81 -3.12 132.00 128.24 1yrl h PRO 430 Ca 0.23 -0.22 0.07 0.00 0.11 0.00 0.00 66.00 66.19 1yrl h PRO 430 Cb 0.34 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 31.40 1yrl h PRO 430 CO -0.42 0.80 0.59 1.25 -0.21 0.00 0.00 178.00 180.02 1yrl h LEU 431 N 0.28 0.94 -1.58 2.35 5.85 -1.01 -2.40 115.31 119.74 1yrl h LEU 431 Ca 0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1yrl h LEU 431 Cb 1.02 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1yrl h LEU 431 CO 0.09 0.59 0.00 0.18 -0.34 0.00 0.00 178.44 178.96 1yrl n LEU 432 N -4.57 2.36 -0.21 2.25 4.32 -0.58 -4.44 117.00 116.14 1yrl n LEU 432 Ca 0.14 -1.00 -0.00 0.00 -0.02 0.00 0.00 56.01 55.13 1yrl n LEU 432 Cb 0.20 -0.16 0.11 0.00 -1.62 0.00 0.00 43.42 41.95 1yrl n LEU 432 CO 0.31 0.50 1.01 0.50 -1.22 0.00 0.00 177.39 178.49 1yrl h LYS 433 N 3.10 0.45 0.00 3.23 3.64 -1.37 -0.42 116.57 125.19 1yrl h LYS 433 Ca 0.00 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 1yrl h LYS 433 Cb 0.68 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1yrl h LYS 433 CO 0.00 0.30 -0.43 -1.00 -2.27 0.00 0.00 179.45 176.04 1yrl h PRO 434 N 0.46 0.00 -0.19 1.90 0.13 -1.79 -2.61 132.00 129.90 1yrl h PRO 434 Ca 0.31 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.39 1yrl h PRO 434 Cb 0.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 1yrl h PRO 434 CO -0.28 0.43 -0.06 0.35 -0.23 0.00 0.00 178.00 178.21 1yrl h PHE 435 N 0.00 0.42 -0.47 1.56 3.57 -1.58 -3.02 116.94 117.42 1yrl h PHE 435 Ca -0.00 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 1yrl h PHE 435 Cb 0.90 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1yrl h PHE 435 CO 0.00 0.64 0.23 0.52 -2.23 0.00 0.00 178.31 177.47 1yrl h MET 436 N 0.08 0.66 0.00 1.11 2.86 -1.05 -1.66 114.93 116.93 1yrl h MET 436 Ca 0.05 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1yrl h MET 436 Cb 0.51 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1yrl h MET 436 CO 0.02 0.51 0.00 0.00 1.06 0.00 0.00 176.91 178.50 1yrl h ALA 437 N 1.60 1.00 -0.06 6.32 0.00 -1.33 -2.80 119.26 123.99 1yrl h ALA 437 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1yrl h ALA 437 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1yrl h ALA 437 CO -0.02 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.62 1yrl n GLU 438 N -2.50 1.56 -1.56 0.00 -0.58 -0.63 -5.01 120.64 111.92 1yrl n GLU 438 Ca -0.00 -1.62 -0.41 0.00 -0.42 0.00 0.00 57.16 54.71 1yrl n GLU 438 Cb 0.14 -1.35 0.02 0.00 -0.57 0.00 0.00 31.44 29.68 1yrl n GLU 438 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1yrl n LEU 439 N 1.01 1.91 -4.94 -4.62 4.77 -1.06 -4.99 117.00 109.08 1yrl n LEU 439 Ca 0.11 0.95 -0.20 0.00 -0.03 0.00 0.00 56.01 56.84 1yrl n LEU 439 Cb 0.45 -1.28 -0.02 0.00 -2.33 0.00 0.00 43.42 40.24 1yrl n LEU 439 CO 0.11 -2.04 0.00 -1.10 -1.33 0.00 0.00 177.39 173.04 1yrl s GLN 440 N -2.00 2.97 0.20 3.23 -0.21 -1.26 -5.02 119.66 117.56 1yrl s GLN 440 Ca 0.65 -1.12 -0.32 0.00 0.02 0.00 0.00 55.36 54.59 1yrl s GLN 440 Cb -0.54 -2.69 -0.12 0.00 1.00 0.00 0.00 33.01 30.66 1yrl s GLN 440 CO 0.56 0.08 1.71 -0.35 -2.12 0.00 0.00 175.29 175.17 1yrl n PRO 441 N -1.53 2.68 0.00 2.91 -0.04 -1.26 -2.14 135.00 135.61 1yrl n PRO 441 Ca -0.01 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 1yrl n PRO 441 Cb 0.59 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 1yrl n PRO 441 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yrl n GLY 442 N 3.90 1.69 0.29 0.55 0.00 -1.26 -4.92 105.19 105.44 1yrl n GLY 442 Ca 0.16 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.27 1yrl n GLY 442 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yrl h ASP 443 N 1.03 0.03 -2.88 1.61 3.32 -1.68 -3.41 116.42 114.43 1yrl h ASP 443 Ca 0.00 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1yrl h ASP 443 Cb 0.00 -0.01 -0.25 0.00 0.22 0.00 0.00 39.33 39.29 1yrl h ASP 443 CO 0.00 0.02 -0.26 -0.22 -1.72 0.00 0.00 179.24 177.06 1yrl s LEU 444 N -9.03 -0.47 0.00 1.55 2.96 -1.26 0.39 118.68 112.81 1yrl s LEU 444 Ca -0.05 1.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.93 1yrl s LEU 444 Cb 0.18 1.58 0.00 0.00 0.50 0.00 0.00 46.19 48.45 1yrl s LEU 444 CO 0.69 -0.21 0.00 0.61 -1.32 0.00 0.00 176.35 176.11 1yrl n GLY 445 N 4.70 2.25 2.88 7.98 0.00 0.27 -4.94 105.19 118.33 1yrl n GLY 445 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 1yrl n GLY 445 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yrl s LYS 446 N -0.33 0.03 0.58 1.61 2.20 -1.26 -4.86 119.74 117.71 1yrl s LYS 446 Ca 0.00 0.09 -0.18 0.00 -0.36 0.00 0.00 55.97 55.52 1yrl s LYS 446 Cb 0.00 -0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.24 1yrl s LYS 446 CO 0.00 -0.04 1.14 0.00 -0.36 0.00 0.00 175.35 176.09 1yrl s ALA 447 N 0.28 2.61 -0.41 3.13 0.00 -1.26 -4.25 121.76 121.85 1yrl s ALA 447 Ca -0.02 0.80 -0.14 0.00 0.00 0.00 0.00 51.96 52.59 1yrl s ALA 447 Cb -0.03 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.75 1yrl s ALA 447 CO -0.01 -0.97 0.30 0.42 0.00 0.00 0.00 175.76 175.50 1yrl s ILE 448 N -1.87 5.15 0.26 0.00 1.01 -1.26 -4.83 121.20 119.66 1yrl s ILE 448 Ca 0.72 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 60.33 1yrl s ILE 448 Cb -0.24 -3.90 -0.14 0.00 0.01 0.00 0.00 42.46 38.19 1yrl s ILE 448 CO 0.31 -0.34 1.06 -0.81 0.00 0.00 0.00 174.94 175.17 1yrl n PRO 449 N 5.14 1.35 -1.16 2.79 -0.04 -1.26 -4.60 135.00 137.22 1yrl n PRO 449 Ca -0.11 0.48 -0.31 0.00 -0.04 0.00 0.00 63.50 63.51 1yrl n PRO 449 Cb 0.46 -1.89 0.11 0.00 -0.04 0.00 0.00 33.50 32.14 1yrl n PRO 449 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1yrl s GLU 450 N -1.23 1.98 0.00 0.54 8.01 -1.26 -4.78 118.70 121.96 1yrl s GLU 450 Ca 0.62 1.21 0.00 0.00 0.01 0.00 0.00 54.97 56.81 1yrl s GLU 450 Cb -0.73 -1.86 0.00 0.00 -4.31 0.00 0.00 34.13 27.23 1yrl s GLU 450 CO 0.58 -1.85 0.00 0.41 0.01 0.00 0.00 175.26 174.41 1yrl n GLY 451 N -0.97 -2.12 3.67 -1.39 0.00 -1.26 -5.05 105.19 98.07 1yrl n GLY 451 Ca 0.09 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 1yrl n GLY 451 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yrl n ALA 452 N 0.00 0.17 -3.13 4.61 0.00 -1.26 -4.62 120.51 116.28 1yrl n ALA 452 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 53.44 53.13 1yrl n ALA 452 Cb 0.00 -2.21 -0.08 0.00 0.00 0.00 0.00 19.45 17.16 1yrl n ALA 452 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1yrl s VAL 453 N -1.81 0.07 0.15 0.00 -7.23 -1.26 -4.85 120.40 105.47 1yrl s VAL 453 Ca 0.76 -0.58 -0.32 0.00 -1.81 0.00 0.00 61.98 60.02 1yrl s VAL 453 Cb -0.34 -0.74 -0.12 0.00 0.56 0.00 0.00 36.38 35.74 1yrl s VAL 453 CO 0.48 -0.32 1.74 -0.67 -0.31 0.00 0.00 175.10 176.02 1yrl n ASP 454 N 0.99 3.74 0.20 4.85 2.03 -1.26 -4.88 116.55 122.22 1yrl n ASP 454 Ca -0.20 1.03 -0.15 0.00 0.52 0.00 0.00 54.79 56.00 1yrl n ASP 454 Cb 0.57 -1.51 -0.07 0.00 -0.72 0.00 0.00 41.12 39.39 1yrl n ASP 454 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1yrl h ASN 455 N 7.35 -0.71 -0.91 1.67 -0.26 -1.99 -0.63 115.58 120.09 1yrl h ASN 455 Ca -0.45 0.06 0.10 0.00 -0.56 0.00 0.00 56.30 55.45 1yrl h ASN 455 Cb 1.23 0.24 -0.07 0.00 -1.06 0.00 0.00 38.32 38.65 1yrl h ASN 455 CO 0.94 -0.40 0.55 1.23 -1.06 0.00 0.00 177.43 178.69 1yrl h GLY 456 N -0.59 1.43 0.84 2.83 0.00 -1.99 0.62 103.07 106.20 1yrl h GLY 456 Ca -0.02 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1yrl h GLY 456 CO -0.04 0.18 -0.04 -1.61 0.00 0.00 0.00 176.54 175.03 1yrl h GLN 457 N 0.93 -0.11 -0.66 4.80 4.15 -1.86 0.51 115.11 122.86 1yrl h GLN 457 Ca 0.43 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.86 1yrl h GLN 457 Cb 0.36 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 1yrl h GLN 457 CO -0.24 0.08 0.42 1.25 -1.93 0.00 0.00 178.83 178.41 1yrl h LEU 458 N -0.27 0.77 0.08 -2.39 5.85 -0.61 0.91 115.31 119.63 1yrl h LEU 458 Ca -0.01 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1yrl h LEU 458 Cb 0.23 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1yrl h LEU 458 CO 0.02 0.57 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.56 1yrl h ARG 459 N 0.90 -0.10 0.06 1.25 2.43 -0.59 -1.41 114.38 116.92 1yrl h ARG 459 Ca 0.24 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.44 1yrl h ARG 459 Cb -0.08 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1yrl h ARG 459 CO -0.05 0.14 -0.21 -0.44 -1.51 0.00 0.00 179.97 177.91 1yrl h ASP 460 N -0.33 -0.59 -0.71 -3.80 3.32 -0.29 -1.29 116.42 112.72 1yrl h ASP 460 Ca -0.01 0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.16 1yrl h ASP 460 Cb 0.29 0.23 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 1yrl h ASP 460 CO 0.02 -0.28 0.43 0.58 -1.72 0.00 0.00 179.24 178.27 1yrl h VAL 461 N -0.36 1.04 -0.46 -1.35 2.07 -0.86 0.24 116.25 116.56 1yrl h VAL 461 Ca 0.04 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.34 1yrl h VAL 461 Cb 0.41 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 1yrl h VAL 461 CO -0.15 0.15 0.17 0.78 0.02 0.00 0.00 177.57 178.53 1yrl h ASN 462 N 0.81 0.17 0.31 0.57 -0.26 -0.71 -0.14 115.58 116.34 1yrl h ASN 462 Ca 0.30 0.05 -0.02 0.00 -0.56 0.00 0.00 56.30 56.08 1yrl h ASN 462 Cb 0.11 0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.41 1yrl h ASN 462 CO -0.15 0.13 -0.15 -0.33 -1.06 0.00 0.00 177.43 175.87 1yrl h GLU 463 N 0.34 -0.40 -0.88 0.81 4.39 -0.55 -2.41 114.58 115.87 1yrl h GLU 463 Ca 0.22 0.03 0.24 0.00 0.34 0.00 0.00 59.36 60.19 1yrl h GLU 463 Cb 0.22 0.09 -0.14 0.00 -0.10 0.00 0.00 28.75 28.82 1yrl h GLU 463 CO -0.22 -0.12 0.26 0.00 -1.16 0.00 0.00 179.01 177.76 1yrl h ALA 464 N -0.06 1.31 0.41 3.43 0.00 -0.74 0.45 119.26 124.06 1yrl h ALA 464 Ca -0.04 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1yrl h ALA 464 Cb 0.46 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1yrl h ALA 464 CO 0.07 -0.47 -0.20 0.82 0.00 0.00 0.00 179.25 179.48 1yrl h ILE 465 N 0.22 0.00 0.00 0.00 2.04 -0.87 -3.15 117.51 115.75 1yrl h ILE 465 Ca 0.56 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.40 1yrl h ILE 465 Cb 1.14 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1yrl h ILE 465 CO -0.65 0.00 0.00 -2.11 0.00 0.00 0.00 178.15 175.39 1yrl n ARG 466 N -3.52 0.37 0.00 2.37 1.85 -0.70 -2.56 116.66 114.45 1yrl n ARG 466 Ca -0.07 0.08 0.12 0.00 -1.00 0.00 0.00 57.85 56.98 1yrl n ARG 466 Cb 0.22 -1.50 0.13 0.00 -1.05 0.00 0.00 32.46 30.25 1yrl n ARG 466 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1yrl n SER 467 N -1.20 1.72 -4.75 2.89 3.41 0.15 -4.60 113.62 111.23 1yrl n SER 467 Ca 0.11 -1.32 -0.38 0.00 -0.26 0.00 0.00 58.87 57.01 1yrl n SER 467 Cb 0.13 0.36 0.04 0.00 -0.26 0.00 0.00 64.21 64.47 1yrl n SER 467 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1yrl s HIS 468 N -2.47 2.34 0.16 7.33 5.04 -1.06 -4.84 115.29 121.79 1yrl s HIS 468 Ca 0.21 1.40 -0.22 0.00 -1.54 0.00 0.00 55.06 54.90 1yrl s HIS 468 Cb 0.19 -3.75 0.05 0.00 0.04 0.00 0.00 32.58 29.10 1yrl s HIS 468 CO 0.55 -2.74 1.62 0.00 -2.34 0.00 0.00 174.74 171.82 1yrl h ALA 469 N 1.48 -0.14 -0.00 1.58 0.00 -1.92 -1.17 119.26 119.08 1yrl h ALA 469 Ca -0.51 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1yrl h ALA 469 Cb 1.30 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 19.67 1yrl h ALA 469 CO 0.57 -0.69 0.01 0.97 0.00 0.00 0.00 179.25 180.11 1yrl h ILE 470 N -0.25 0.55 -0.14 0.00 2.10 -1.97 -0.22 117.51 117.57 1yrl h ILE 470 Ca 0.16 0.00 -0.21 0.00 1.08 0.00 0.00 64.86 65.88 1yrl h ILE 470 Cb 0.50 1.00 0.01 0.00 -1.09 0.00 0.00 36.82 37.23 1yrl h ILE 470 CO -0.45 0.00 -0.76 -0.33 -1.08 0.00 0.00 178.15 175.53 1yrl h GLU 471 N 0.00 0.72 0.32 2.19 4.39 -1.56 -0.83 114.58 119.81 1yrl h GLU 471 Ca 0.00 -0.58 -0.02 0.00 0.34 0.00 0.00 59.36 59.11 1yrl h GLU 471 Cb 0.01 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1yrl h GLU 471 CO -0.00 1.19 -0.15 1.96 -1.16 0.00 0.00 179.01 180.85 1yrl h GLN 472 N 0.49 -0.41 -0.93 2.33 1.08 -0.60 0.24 115.11 117.30 1yrl h GLN 472 Ca -0.05 0.03 0.18 0.00 -1.45 0.00 0.00 58.65 57.36 1yrl h GLN 472 Cb 1.38 0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 28.82 1yrl h GLN 472 CO 0.15 -0.28 0.60 -0.39 -0.95 0.00 0.00 178.83 177.96 1yrl h VAL 473 N -0.47 0.74 0.31 -0.54 -1.51 -1.47 -1.47 116.25 111.84 1yrl h VAL 473 Ca -0.04 -0.21 -0.00 0.00 -1.23 0.00 0.00 66.70 65.21 1yrl h VAL 473 Cb 0.33 0.07 -0.02 0.00 -2.13 0.00 0.00 31.29 29.55 1yrl h VAL 473 CO 0.07 0.11 -0.28 1.23 -1.23 0.00 0.00 177.57 177.47 1yrl h GLY 474 N 0.61 -0.66 0.75 5.19 0.00 -0.95 0.40 103.07 108.41 1yrl h GLY 474 Ca 0.49 0.32 0.06 0.00 0.00 0.00 0.00 47.33 48.21 1yrl h GLY 474 CO -0.24 -0.26 0.61 1.70 0.00 0.00 0.00 176.54 178.35 1yrl h LYS 475 N -0.61 1.08 0.77 4.80 3.64 -0.03 0.43 116.57 126.64 1yrl h LYS 475 Ca -0.02 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1yrl h LYS 475 Cb 0.55 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1yrl h LYS 475 CO -0.04 0.72 -0.37 -0.22 -2.27 0.00 0.00 179.45 177.26 1yrl h LYS 476 N 1.11 -1.00 0.03 1.90 3.64 -0.63 0.06 116.57 121.69 1yrl h LYS 476 Ca 0.41 0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.85 1yrl h LYS 476 Cb 0.15 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1yrl h LYS 476 CO -0.17 -0.66 -0.02 -0.07 -2.27 0.00 0.00 179.45 176.27 1yrl h LEU 477 N -1.08 -0.04 -1.89 5.20 3.38 0.04 -1.59 115.31 119.33 1yrl h LEU 477 Ca -0.11 -0.08 0.13 0.00 0.09 0.00 0.00 57.88 57.91 1yrl h LEU 477 Cb 0.80 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1yrl h LEU 477 CO 0.17 0.06 0.36 0.03 0.09 0.00 0.00 178.44 179.15 1yrl h ARG 478 N -0.13 0.11 -0.30 1.13 3.08 -0.17 0.13 114.38 118.23 1yrl h ARG 478 Ca -0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1yrl h ARG 478 Cb 0.12 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1yrl h ARG 478 CO 0.01 0.07 0.04 0.78 -1.07 0.00 0.00 179.97 179.80 1yrl h GLY 479 N 0.11 0.54 0.99 0.04 0.00 -0.05 -1.78 103.07 102.93 1yrl h GLY 479 Ca 0.25 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 1yrl h GLY 479 CO -0.03 0.34 -0.43 -0.97 0.00 0.00 0.00 176.54 175.45 1yrl h TYR 480 N 0.32 -1.11 -0.61 5.60 0.99 -0.04 -2.38 116.97 119.73 1yrl h TYR 480 Ca 0.09 -0.03 0.18 0.00 2.00 0.00 0.00 58.73 60.97 1yrl h TYR 480 Cb 0.36 0.37 -0.02 0.00 1.00 0.00 0.00 36.73 38.43 1yrl h TYR 480 CO 0.02 -0.69 0.53 0.52 -0.00 0.00 0.00 178.16 178.54 1yrl h MET 481 N -1.23 0.00 0.00 4.88 2.86 -1.14 0.37 114.93 120.67 1yrl h MET 481 Ca -0.12 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.37 1yrl h MET 481 Cb 0.92 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.56 1yrl h MET 481 CO 0.20 0.00 -0.72 1.15 1.06 0.00 0.00 176.91 178.60 1yrl h THR 482 N 0.00 1.43 -0.04 2.22 2.02 -0.93 -2.30 112.91 115.31 1yrl h THR 482 Ca 0.29 -2.55 -0.02 0.00 0.77 0.00 0.00 66.41 64.89 1yrl h THR 482 Cb 1.34 2.41 0.00 0.00 -1.74 0.00 0.00 68.15 70.17 1yrl h THR 482 CO -0.00 0.71 -0.06 0.44 0.37 0.00 0.00 175.52 176.97 1yrl h ASP 483 N 0.00 0.12 -0.54 4.18 3.32 0.21 0.54 116.42 124.26 1yrl h ASP 483 Ca -0.01 -0.55 0.10 0.00 0.02 0.00 0.00 57.03 56.59 1yrl h ASP 483 Cb 1.35 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.84 1yrl h ASP 483 CO 0.09 0.65 0.37 0.24 -1.72 0.00 0.00 179.24 178.87 1yrl h MET 484 N -0.41 0.27 0.06 3.56 2.86 -1.44 -1.44 114.93 118.39 1yrl h MET 484 Ca 0.00 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1yrl h MET 484 Cb 0.62 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1yrl h MET 484 CO 0.01 0.18 -0.03 -0.22 1.06 0.00 0.00 176.91 177.92 1yrl h LYS 485 N 0.28 -0.08 0.00 1.72 3.64 -1.11 -3.14 116.57 117.89 1yrl h LYS 485 Ca 0.25 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1yrl h LYS 485 Cb 0.61 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1yrl h LYS 485 CO -0.05 0.51 0.20 -2.13 -2.27 0.00 0.00 179.45 175.71 1yrl n ARG 486 N -4.81 0.08 -1.92 1.90 0.63 0.19 -3.05 116.66 109.68 1yrl n ARG 486 Ca -0.08 0.54 -0.41 0.00 -0.92 0.00 0.00 57.85 56.98 1yrl n ARG 486 Cb 0.31 -1.97 -0.01 0.00 0.45 0.00 0.00 32.46 31.24 1yrl n ARG 486 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1yrl n ILE 487 N -1.96 4.37 -0.66 5.15 5.41 -0.86 -4.53 119.36 126.28 1yrl n ILE 487 Ca -0.01 -3.73 -0.01 0.00 1.00 0.00 0.00 62.75 60.01 1yrl n ILE 487 Cb 0.22 -2.39 0.29 0.00 -0.71 0.00 0.00 39.64 37.05 1yrl n ILE 487 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1yrl n ALA 488 N 3.76 4.04 1.63 -1.39 0.00 -1.17 -5.05 120.51 122.33 1yrl n ALA 488 Ca 0.56 -1.81 0.13 0.00 0.00 0.00 0.00 53.44 52.31 1yrl n ALA 488 Cb 0.31 -1.18 0.77 0.00 0.00 0.00 0.00 19.45 19.36 1yrl n ALA 488 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83