#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 -0.04 -0.66 1.20 3.20 -1.53 -2.33 116.97 116.81 1yrl h TYR 4 Ca 0.00 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.96 1yrl h TYR 4 Cb 0.00 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.21 1yrl h TYR 4 CO 0.00 0.05 0.31 0.35 -1.64 0.00 0.00 178.16 177.23 1yrl h PHE 5 N -0.11 0.54 -0.00 -3.82 3.57 -1.88 -0.92 116.94 114.32 1yrl h PHE 5 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1yrl h PHE 5 Cb 0.10 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 1yrl h PHE 5 CO -0.05 0.19 0.00 -0.91 -2.23 0.00 0.00 178.31 175.31 1yrl h ASN 6 N 0.53 0.00 -0.04 0.41 2.35 -1.75 0.74 115.58 117.82 1yrl h ASN 6 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 1yrl h ASN 6 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1yrl h ASN 6 CO -0.27 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 175.86 1yrl n THR 7 N -3.44 0.05 -3.97 2.81 -2.24 -0.35 -4.84 114.28 102.30 1yrl n THR 7 Ca -0.03 -0.09 -0.29 0.00 -2.27 0.00 0.00 64.05 61.38 1yrl n THR 7 Cb 0.08 -0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.14 1yrl n THR 7 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1yrl s LEU 8 N -1.57 4.19 0.57 3.22 1.43 0.25 -5.12 118.68 121.65 1yrl s LEU 8 Ca 0.29 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.55 1yrl s LEU 8 Cb 0.14 -2.80 0.04 0.00 0.03 0.00 0.00 46.19 43.60 1yrl s LEU 8 CO 0.22 0.12 0.79 0.54 0.23 0.00 0.00 176.35 178.26 1yrl s ASN 9 N -2.77 5.18 0.15 2.29 2.20 -1.26 -4.80 114.94 115.93 1yrl s ASN 9 Ca 0.33 -0.09 -0.31 0.00 -0.94 0.00 0.00 52.86 51.85 1yrl s ASN 9 Cb -0.12 -0.74 -0.08 0.00 -2.00 0.00 0.00 41.25 38.32 1yrl s ASN 9 CO 0.27 -1.22 1.54 0.25 -2.94 0.00 0.00 177.10 175.00 1yrl h LEU 10 N 0.03 -2.02 -0.98 3.54 7.12 -1.99 0.54 115.31 121.55 1yrl h LEU 10 Ca -0.41 0.29 0.10 0.00 0.13 0.00 0.00 57.88 58.00 1yrl h LEU 10 Cb 1.29 0.87 -0.08 0.00 -0.53 0.00 0.00 40.66 42.21 1yrl h LEU 10 CO 0.50 -0.30 0.61 -0.09 -0.13 0.00 0.00 178.44 179.03 1yrl h ARG 11 N -0.17 0.98 -0.26 1.25 2.43 -1.99 -0.83 114.38 115.79 1yrl h ARG 11 Ca 0.13 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.14 1yrl h ARG 11 Cb 0.49 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1yrl h ARG 11 CO -0.80 0.65 -0.24 1.96 -1.51 0.00 0.00 179.97 180.03 1yrl h GLN 12 N 1.01 0.62 0.10 0.20 4.20 -1.47 -2.23 115.11 117.53 1yrl h GLN 12 Ca 0.47 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1yrl h GLN 12 Cb 0.40 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1yrl h GLN 12 CO -0.24 0.91 -0.05 1.96 -0.67 0.00 0.00 178.83 180.74 1yrl h GLN 13 N 0.34 -0.13 -0.68 1.46 4.20 -0.46 -2.38 115.11 117.46 1yrl h GLN 13 Ca 0.04 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.86 1yrl h GLN 13 Cb 0.79 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.53 1yrl h GLN 13 CO 0.06 -0.03 0.30 1.25 -0.67 0.00 0.00 178.83 179.74 1yrl h LEU 14 N -0.19 0.35 -0.34 1.46 5.85 -1.21 0.20 115.31 121.43 1yrl h LEU 14 Ca -0.01 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1yrl h LEU 14 Cb 0.16 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 1yrl h LEU 14 CO 0.02 0.19 -0.09 0.00 -0.34 0.00 0.00 178.44 178.22 1yrl h ALA 15 N 1.44 0.22 -0.07 1.25 0.00 -1.02 -0.74 119.26 120.34 1yrl h ALA 15 Ca 0.34 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 1yrl h ALA 15 Cb 0.41 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1yrl h ALA 15 CO -0.30 -0.47 -0.04 1.96 0.00 0.00 0.00 179.25 180.40 1yrl h GLN 16 N -0.01 0.15 -0.99 0.00 1.08 -0.83 -3.24 115.11 111.26 1yrl h GLN 16 Ca 0.17 -0.07 0.15 0.00 -1.45 0.00 0.00 58.65 57.45 1yrl h GLN 16 Cb 0.26 -0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.60 1yrl h GLN 16 CO -0.36 0.55 0.61 -0.07 -0.95 0.00 0.00 178.83 178.62 1yrl h LEU 17 N -0.26 0.85 -0.24 1.46 4.07 -0.43 -2.62 115.31 118.13 1yrl h LEU 17 Ca 0.01 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1yrl h LEU 17 Cb 0.52 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1yrl h LEU 17 CO 0.01 0.39 0.00 0.61 -1.08 0.00 0.00 178.44 178.37 1yrl n GLY 18 N -1.34 -0.73 3.61 0.83 0.00 -0.30 -3.93 105.19 103.32 1yrl n GLY 18 Ca 0.21 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.98 3.77 -0.33 1.61 1.02 -0.99 -4.62 119.74 118.22 1yrl s LYS 19 Ca 0.38 0.71 -0.01 0.00 0.02 0.00 0.00 55.97 57.07 1yrl s LYS 19 Cb 0.18 -3.89 0.19 0.00 -0.52 0.00 0.00 37.83 33.79 1yrl s LYS 19 CO 0.30 -1.31 0.82 0.00 -0.92 0.00 0.00 175.35 174.23 1yrl s ARG 21 N 2.38 3.27 -0.28 0.00 3.52 -0.85 -4.82 118.95 122.18 1yrl s ARG 21 Ca 0.17 -0.75 -0.29 0.00 -0.13 0.00 0.00 55.73 54.73 1yrl s ARG 21 Cb -0.03 -2.53 -0.00 0.00 -1.56 0.00 0.00 34.95 30.82 1yrl s ARG 21 CO -0.17 0.19 1.34 0.12 -0.81 0.00 0.00 175.30 175.97 1yrl s PHE 22 N 0.38 2.61 0.63 5.12 5.36 -1.26 -0.82 117.98 130.00 1yrl s PHE 22 Ca -0.13 0.83 -0.14 0.00 -0.96 0.00 0.00 56.93 56.54 1yrl s PHE 22 Cb -0.17 -3.88 -0.02 0.00 -0.34 0.00 0.00 43.02 38.61 1yrl s PHE 22 CO 0.06 -1.89 1.05 -1.64 -1.46 0.00 0.00 175.22 171.34 1yrl s MET 23 N 4.18 3.25 0.13 10.12 -1.94 -0.24 -4.97 119.30 129.82 1yrl s MET 23 Ca 0.58 1.06 -0.23 0.00 -1.71 0.00 0.00 55.69 55.39 1yrl s MET 23 Cb -0.18 -2.03 -0.07 0.00 2.01 0.00 0.00 34.83 34.55 1yrl s MET 23 CO 0.23 -0.85 0.69 0.20 -0.01 0.00 0.00 175.02 175.28 1yrl s GLY 24 N -3.29 2.82 0.54 -0.03 0.00 -1.26 -4.68 107.32 101.42 1yrl s GLY 24 Ca 0.60 0.22 0.34 0.00 0.00 0.00 0.00 44.72 45.89 1yrl s GLY 24 CO 0.44 0.70 1.85 -0.09 0.00 0.00 0.00 173.10 176.00 1yrl h ARG 25 N 4.43 0.01 0.00 2.90 2.43 -1.96 0.76 114.38 122.94 1yrl h ARG 25 Ca -0.48 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1yrl h ARG 25 Cb 1.21 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1yrl h ARG 25 CO 0.65 0.00 -0.02 0.38 -1.51 0.00 0.00 179.97 179.48 1yrl h ASP 26 N 0.01 0.00 0.17 -3.80 3.04 -1.99 -2.98 116.42 110.87 1yrl h ASP 26 Ca 0.49 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.28 1yrl h ASP 26 Cb 1.96 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.25 1yrl h ASP 26 CO -0.01 0.02 0.00 -0.62 -2.04 0.00 0.00 179.24 176.59 1yrl n GLU 27 N -3.11 0.43 -1.06 4.15 1.02 0.26 -2.34 120.64 120.00 1yrl n GLU 27 Ca 0.02 0.06 -0.02 0.00 -0.02 0.00 0.00 57.16 57.19 1yrl n GLU 27 Cb 0.41 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.48 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 -1.14 0.76 0.28 -0.32 3.01 -1.12 -4.78 117.46 114.15 1yrl n PHE 28 Ca 0.12 -1.66 0.14 0.00 1.01 0.00 0.00 57.45 57.05 1yrl n PHE 28 Cb 0.10 -0.27 0.81 0.00 -0.01 0.00 0.00 39.48 40.11 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 1.35 1.37 -0.60 4.37 0.00 -1.64 -1.84 119.26 122.28 1yrl h ALA 29 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1yrl h ALA 29 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1yrl h ALA 29 CO 0.21 0.09 0.00 -0.25 0.00 0.00 0.00 179.25 179.30 1yrl n ASP 30 N -3.72 4.17 0.00 0.00 8.00 -1.26 -5.02 116.55 118.72 1yrl n ASP 30 Ca -0.02 -2.33 0.00 0.00 0.71 0.00 0.00 54.79 53.15 1yrl n ASP 30 Cb 0.17 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 1yrl n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yrl n GLY 31 N 1.15 2.08 1.35 0.44 0.00 -0.69 -0.33 105.19 109.18 1yrl n GLY 31 Ca 0.23 0.27 0.08 0.00 0.00 0.00 0.00 46.02 46.61 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 9.19 3.03 -0.17 4.61 0.00 -1.26 -4.06 120.51 131.85 1yrl n ALA 32 Ca 0.00 -1.72 -0.02 0.00 0.00 0.00 0.00 53.44 51.71 1yrl n ALA 32 Cb 0.00 -0.88 0.07 0.00 0.00 0.00 0.00 19.45 18.64 1yrl n ALA 32 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1yrl h SER 33 N 3.33 -0.15 -0.41 0.00 0.02 -1.02 -0.78 113.55 114.55 1yrl h SER 33 Ca 0.00 0.11 0.12 0.00 -0.84 0.00 0.00 61.79 61.18 1yrl h SER 33 Cb 1.41 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 64.13 1yrl h SER 33 CO 0.23 -0.05 0.41 0.22 -1.14 0.00 0.00 176.83 176.50 1yrl h TYR 34 N 0.16 0.00 -0.09 3.45 3.20 -1.83 0.42 116.97 122.27 1yrl h TYR 34 Ca 0.26 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1yrl h TYR 34 Cb 0.39 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1yrl h TYR 34 CO -0.29 0.00 0.00 -0.11 -1.64 0.00 0.00 178.16 176.12 1yrl n LEU 35 N -3.81 2.59 -4.73 2.82 7.94 -0.32 -4.90 117.00 116.60 1yrl n LEU 35 Ca 0.07 -0.93 -0.41 0.00 -1.11 0.00 0.00 56.01 53.63 1yrl n LEU 35 Cb 0.59 -0.05 -0.03 0.00 0.53 0.00 0.00 43.42 44.46 1yrl n LEU 35 CO 0.29 0.46 0.92 -1.10 -1.11 0.00 0.00 177.39 176.85 1yrl s GLN 36 N -1.91 4.44 -0.01 1.96 -1.52 0.15 -2.81 119.66 119.96 1yrl s GLN 36 Ca 0.32 1.91 0.00 0.00 -1.95 0.00 0.00 55.36 55.64 1yrl s GLN 36 Cb 0.20 -3.26 0.00 0.00 -0.22 0.00 0.00 33.01 29.74 1yrl s GLN 36 CO 0.31 -0.20 0.00 0.41 -0.25 0.00 0.00 175.29 175.56 1yrl n GLY 37 N 2.61 0.48 3.73 3.09 0.00 -1.26 -5.03 105.19 108.81 1yrl n GLY 37 Ca 0.07 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.40 2.59 -0.42 1.61 -0.14 -1.12 -5.09 119.74 116.76 1yrl s LYS 38 Ca 0.00 -1.21 -0.18 0.00 -1.36 0.00 0.00 55.97 53.22 1yrl s LYS 38 Cb 0.00 -2.37 0.02 0.00 -1.68 0.00 0.00 37.83 33.80 1yrl s LYS 38 CO 0.00 0.40 0.49 0.15 -0.76 0.00 0.00 175.35 175.63 1yrl s LYS 39 N -3.62 3.17 -0.27 1.68 -0.14 -1.26 -4.26 119.74 115.04 1yrl s LYS 39 Ca 0.31 -0.63 -0.09 0.00 -1.36 0.00 0.00 55.97 54.21 1yrl s LYS 39 Cb -0.08 -3.95 -0.03 0.00 -1.68 0.00 0.00 37.83 32.09 1yrl s LYS 39 CO 0.22 -0.88 0.12 0.08 -0.76 0.00 0.00 175.35 174.13 1yrl s VAL 40 N 2.32 4.67 -0.19 3.17 1.01 -0.51 -1.02 120.40 129.84 1yrl s VAL 40 Ca 0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 1yrl s VAL 40 Cb -0.16 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1yrl s VAL 40 CO 0.15 0.27 -0.05 -0.69 0.00 0.00 0.00 175.10 174.78 1yrl s VAL 41 N 1.66 3.49 -0.17 2.92 1.01 0.01 -2.02 120.40 127.30 1yrl s VAL 41 Ca 0.06 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 1yrl s VAL 41 Cb -0.16 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1yrl s VAL 41 CO 0.06 0.45 0.19 -0.63 0.00 0.00 0.00 175.10 175.17 1yrl s ILE 42 N 1.04 5.38 -0.30 2.22 1.01 -0.31 -0.99 121.20 129.26 1yrl s ILE 42 Ca 0.01 0.31 -0.08 0.00 0.00 0.00 0.00 60.65 60.89 1yrl s ILE 42 Cb -0.15 -3.51 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 1yrl s ILE 42 CO 0.00 0.45 0.11 -0.69 0.00 0.00 0.00 174.94 174.82 1yrl s VAL 43 N 0.17 4.29 0.00 2.92 1.01 0.05 -0.96 120.40 127.89 1yrl s VAL 43 Ca 0.12 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1yrl s VAL 43 Cb -0.12 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1yrl s VAL 43 CO 0.01 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.81 1yrl n GLY 44 N 4.93 0.78 2.84 4.51 0.00 -1.23 -1.89 105.19 115.12 1yrl n GLY 44 Ca -0.14 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.45 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 0.94 1.43 0.10 0.00 0.00 -1.26 -4.61 105.19 101.79 1yrl n GLY 46 Ca 0.30 -1.65 -0.03 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.47 -0.29 -0.61 4.61 0.00 -1.93 -1.33 119.26 118.23 1yrl h ALA 47 Ca 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1yrl h ALA 47 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1yrl h ALA 47 CO 0.00 -0.28 0.41 -0.56 0.00 0.00 0.00 179.25 178.82 1yrl h GLN 48 N -0.62 0.64 0.52 0.00 3.07 -1.93 0.16 115.11 116.95 1yrl h GLN 48 Ca -0.02 -0.04 -0.03 0.00 0.09 0.00 0.00 58.65 58.66 1yrl h GLN 48 Cb 0.15 -0.14 0.01 0.00 0.08 0.00 0.00 27.48 27.57 1yrl h GLN 48 CO 0.03 0.42 -0.25 0.78 0.09 0.00 0.00 178.83 179.90 1yrl h GLY 49 N 0.66 -0.73 1.01 0.06 0.00 -1.81 0.07 103.07 102.33 1yrl h GLY 49 Ca 0.26 0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.79 1yrl h GLY 49 CO -0.07 -0.27 0.08 -2.00 0.00 0.00 0.00 176.54 174.28 1yrl h LEU 50 N -0.76 0.86 -0.27 3.11 5.85 -0.81 -2.41 115.31 120.88 1yrl h LEU 50 Ca -0.07 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 1yrl h LEU 50 Cb 0.56 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1yrl h LEU 50 CO 0.12 0.91 0.11 0.78 -0.34 0.00 0.00 178.44 180.02 1yrl h ASN 51 N 0.78 0.37 -0.18 1.25 2.35 -0.64 -1.24 115.58 118.28 1yrl h ASN 51 Ca 0.16 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1yrl h ASN 51 Cb 0.42 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1yrl h ASN 51 CO 0.01 0.43 0.06 1.56 -1.65 0.00 0.00 177.43 177.85 1yrl h GLN 52 N 0.29 0.35 -0.13 0.81 4.20 -0.96 -2.36 115.11 117.31 1yrl h GLN 52 Ca 0.09 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1yrl h GLN 52 Cb 0.17 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1yrl h GLN 52 CO -0.01 0.32 0.06 0.78 -0.67 0.00 0.00 178.83 179.31 1yrl h GLY 53 N 0.54 0.20 0.61 3.46 0.00 -0.84 -1.71 103.07 105.33 1yrl h GLY 53 Ca 0.09 -0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.36 1yrl h GLY 53 CO -0.00 0.10 0.04 1.41 0.00 0.00 0.00 176.54 178.08 1yrl h LEU 54 N 0.07 -0.04 0.51 3.11 3.38 -0.73 -1.06 115.31 120.55 1yrl h LEU 54 Ca 0.04 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1yrl h LEU 54 Cb 0.13 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1yrl h LEU 54 CO -0.00 0.02 -0.35 0.78 0.09 0.00 0.00 178.44 178.97 1yrl h ASN 55 N 0.14 -0.89 -0.55 -0.43 4.21 -1.39 -0.28 115.58 116.37 1yrl h ASN 55 Ca 0.14 0.06 0.14 0.00 1.21 0.00 0.00 56.30 57.85 1yrl h ASN 55 Cb 0.16 0.27 -0.03 0.00 -1.12 0.00 0.00 38.32 37.61 1yrl h ASN 55 CO -0.20 -0.53 0.39 0.24 -1.29 0.00 0.00 177.43 176.03 1yrl h MET 56 N -0.83 0.10 0.08 0.81 2.86 -1.15 0.18 114.93 116.98 1yrl h MET 56 Ca -0.06 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1yrl h MET 56 Cb 0.69 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1yrl h MET 56 CO 0.04 0.07 -0.04 -0.09 1.06 0.00 0.00 176.91 177.94 1yrl h ARG 57 N 0.10 -0.11 -0.06 1.72 2.43 -0.78 -0.18 114.38 117.51 1yrl h ARG 57 Ca 0.26 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.46 1yrl h ARG 57 Cb 0.91 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1yrl h ARG 57 CO -0.03 0.43 0.11 -0.44 -1.51 0.00 0.00 179.97 178.53 1yrl h ASP 58 N -0.77 0.00 -0.19 -3.80 5.19 -0.20 0.33 116.42 116.99 1yrl h ASP 58 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1yrl h ASP 58 Cb 0.59 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.10 1yrl h ASP 58 CO 0.02 0.00 0.00 -1.20 -3.12 0.00 0.00 179.24 174.94 1yrl n SER 59 N -3.49 1.20 0.00 6.45 7.64 0.54 -4.90 113.62 121.06 1yrl n SER 59 Ca -0.01 -1.84 0.00 0.00 1.01 0.00 0.00 58.87 58.02 1yrl n SER 59 Cb 0.19 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1yrl n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yrl n GLY 60 N 0.93 0.77 3.87 0.23 0.00 0.12 -4.96 105.19 106.14 1yrl n GLY 60 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 2.36 -0.67 0.99 1.02 -0.10 -4.87 118.68 117.41 1yrl s LEU 61 Ca 0.00 0.69 -0.11 0.00 0.02 0.00 0.00 54.13 54.73 1yrl s LEU 61 Cb 0.00 -3.00 0.17 0.00 0.02 0.00 0.00 46.19 43.39 1yrl s LEU 61 CO 0.00 -2.36 0.57 -0.62 0.02 0.00 0.00 176.35 173.96 1yrl s ASP 62 N -4.50 6.15 -0.17 2.29 -1.08 -1.26 -4.61 116.67 113.48 1yrl s ASP 62 Ca 0.66 -2.43 -0.04 0.00 -0.52 0.00 0.00 52.55 50.22 1yrl s ASP 62 Cb -0.10 -2.10 -0.03 0.00 -1.46 0.00 0.00 42.92 39.24 1yrl s ASP 62 CO 0.51 -0.60 -0.02 -0.63 0.52 0.00 0.00 175.17 174.95 1yrl s ILE 63 N 0.58 3.89 0.01 4.11 1.09 -1.26 -1.43 121.20 128.19 1yrl s ILE 63 Ca 0.13 -0.35 0.01 0.00 -1.10 0.00 0.00 60.65 59.34 1yrl s ILE 63 Cb -0.19 -2.73 -0.01 0.00 -1.06 0.00 0.00 42.46 38.48 1yrl s ILE 63 CO -0.04 0.47 -0.02 -0.94 -0.10 0.00 0.00 174.94 174.30 1yrl s SER 64 N 0.63 0.26 -0.12 3.58 1.04 -0.86 -4.40 113.70 113.83 1yrl s SER 64 Ca -0.02 -0.19 -0.13 0.00 0.48 0.00 0.00 55.95 56.10 1yrl s SER 64 Cb -0.14 0.01 -0.05 0.00 0.10 0.00 0.00 66.02 65.94 1yrl s SER 64 CO 0.02 -0.08 0.29 -0.31 0.98 0.00 0.00 173.24 174.14 1yrl s TYR 65 N -0.50 3.54 -0.10 5.02 1.51 -0.05 -1.16 117.35 125.61 1yrl s TYR 65 Ca -0.04 0.66 -0.00 0.00 -1.01 0.00 0.00 57.07 56.67 1yrl s TYR 65 Cb -0.04 -2.26 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 1yrl s TYR 65 CO -0.00 0.41 -0.07 0.00 -1.11 0.00 0.00 175.55 174.78 1yrl s ALA 66 N -0.11 2.93 0.12 3.71 0.00 -0.13 -1.17 121.76 127.09 1yrl s ALA 66 Ca 0.18 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.27 1yrl s ALA 66 Cb -0.14 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 1yrl s ALA 66 CO 0.06 0.43 -0.03 -0.51 0.00 0.00 0.00 175.76 175.70 1yrl s LEU 67 N -0.31 2.31 0.32 0.00 1.43 -0.61 -3.51 118.68 118.31 1yrl s LEU 67 Ca 0.04 -1.08 -0.29 0.00 -1.03 0.00 0.00 54.13 51.78 1yrl s LEU 67 Cb -0.13 0.01 -0.11 0.00 0.03 0.00 0.00 46.19 46.00 1yrl s LEU 67 CO 0.02 -0.54 1.48 -0.13 0.23 0.00 0.00 176.35 177.41 1yrl s ARG 68 N -3.89 4.19 0.43 1.70 0.52 -1.26 -3.09 118.95 117.53 1yrl s ARG 68 Ca 0.16 2.46 0.21 0.00 -0.52 0.00 0.00 55.73 58.04 1yrl s ARG 68 Cb 0.06 -3.03 1.17 0.00 0.52 0.00 0.00 34.95 33.68 1yrl s ARG 68 CO -0.02 -0.48 1.80 1.57 0.02 0.00 0.00 175.30 178.18 1yrl h LYS 69 N 3.95 0.32 -0.82 3.54 2.10 -1.97 0.50 116.57 124.20 1yrl h LYS 69 Ca -0.49 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.14 1yrl h LYS 69 Cb 1.23 -0.07 -0.04 0.00 -0.90 0.00 0.00 32.23 32.45 1yrl h LYS 69 CO 0.71 0.21 0.50 0.93 -2.00 0.00 0.00 179.45 179.80 1yrl h GLU 70 N 0.33 1.10 -0.29 0.07 3.07 -1.98 -0.06 114.58 116.82 1yrl h GLU 70 Ca 0.56 -0.09 -0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1yrl h GLU 70 Cb 1.55 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 29.21 1yrl h GLU 70 CO -0.23 0.77 0.17 0.00 -1.40 0.00 0.00 179.01 178.32 1yrl h ALA 71 N 1.27 0.37 -0.64 3.43 0.00 -1.25 0.11 119.26 122.54 1yrl h ALA 71 Ca 0.29 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1yrl h ALA 71 Cb -0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1yrl h ALA 71 CO -0.06 -0.13 0.24 0.82 0.00 0.00 0.00 179.25 180.13 1yrl h ILE 72 N 0.37 1.24 -0.76 0.00 2.04 -1.41 -1.29 117.51 117.70 1yrl h ILE 72 Ca 0.10 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 65.14 1yrl h ILE 72 Cb 0.02 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1yrl h ILE 72 CO -0.02 0.30 0.24 0.00 0.00 0.00 0.00 178.15 178.68 1yrl h ALA 73 N 1.10 1.00 -0.24 1.87 0.00 -0.58 -2.89 119.26 119.52 1yrl h ALA 73 Ca 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1yrl h ALA 73 Cb 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1yrl h ALA 73 CO -0.01 0.67 0.00 0.39 0.00 0.00 0.00 179.25 180.30 1yrl n GLU 74 N -4.25 1.61 -3.90 0.00 1.02 0.34 -4.90 120.64 110.56 1yrl n GLU 74 Ca 0.06 -0.94 -0.29 0.00 -0.02 0.00 0.00 57.16 55.97 1yrl n GLU 74 Cb 0.23 -1.24 0.03 0.00 -0.02 0.00 0.00 31.44 30.43 1yrl n GLU 74 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1yrl n LYS 75 N 0.24 -5.40 -0.89 3.49 4.01 -0.99 -4.92 118.16 113.71 1yrl n LYS 75 Ca 0.10 0.59 -0.30 0.00 -0.51 0.00 0.00 58.31 58.19 1yrl n LYS 75 Cb 0.23 -5.43 0.17 0.00 -0.51 0.00 0.00 35.03 29.49 1yrl n LYS 75 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1yrl s ARG 76 N -6.55 0.85 0.20 1.97 0.52 -0.52 -4.79 118.95 110.63 1yrl s ARG 76 Ca 0.58 1.14 -0.11 0.00 -0.52 0.00 0.00 55.73 56.82 1yrl s ARG 76 Cb -0.29 -1.74 0.15 0.00 0.52 0.00 0.00 34.95 33.59 1yrl s ARG 76 CO 0.83 -2.61 1.86 0.00 0.02 0.00 0.00 175.30 175.40 1yrl h ALA 77 N -1.83 0.89 -0.98 2.13 0.00 -1.91 -2.17 119.26 115.39 1yrl h ALA 77 Ca -0.49 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.50 1yrl h ALA 77 Cb 1.28 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 1yrl h ALA 77 CO 0.48 0.27 0.62 0.66 0.00 0.00 0.00 179.25 181.29 1yrl h SER 78 N 0.91 0.88 -0.32 0.00 4.64 -1.92 0.66 113.55 118.41 1yrl h SER 78 Ca 0.26 0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.58 1yrl h SER 78 Cb -0.07 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1yrl h SER 78 CO -0.07 0.47 0.02 -0.25 -0.87 0.00 0.00 176.83 176.13 1yrl h TRP 79 N 0.95 0.60 -0.23 4.77 7.01 -1.71 -2.73 115.95 124.61 1yrl h TRP 79 Ca 0.49 -0.10 -0.03 0.00 2.11 0.00 0.00 58.89 61.36 1yrl h TRP 79 Cb 0.52 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.41 1yrl h TRP 79 CO -0.00 0.66 0.01 -0.09 -2.79 0.00 0.00 178.44 176.23 1yrl h ARG 80 N 0.37 0.40 -0.49 2.65 2.43 -0.83 -1.92 114.38 116.99 1yrl h ARG 80 Ca 0.09 -0.12 0.10 0.00 -0.81 0.00 0.00 59.98 59.24 1yrl h ARG 80 Cb 0.40 -0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 29.83 1yrl h ARG 80 CO 0.01 0.57 -0.08 0.87 -1.51 0.00 0.00 179.97 179.83 1yrl h LYS 81 N 0.18 0.03 0.30 0.20 6.56 -0.90 0.34 116.57 123.29 1yrl h LYS 81 Ca 0.07 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.64 1yrl h LYS 81 Cb 0.39 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 1yrl h LYS 81 CO 0.01 0.02 -0.15 0.00 -2.06 0.00 0.00 179.45 177.28 1yrl h ALA 82 N 1.48 -0.41 -0.53 3.86 0.00 -1.39 -2.67 119.26 119.60 1yrl h ALA 82 Ca 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1yrl h ALA 82 Cb 0.37 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1yrl h ALA 82 CO -0.48 -0.65 0.28 1.79 0.00 0.00 0.00 179.25 180.20 1yrl h THR 83 N -0.57 1.18 0.00 0.00 1.35 -0.93 -1.31 112.91 112.64 1yrl h THR 83 Ca -0.04 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1yrl h THR 83 Cb 0.42 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 1yrl h THR 83 CO 0.07 0.20 0.00 -0.62 -0.25 0.00 0.00 175.52 174.92 1yrl n GLU 84 N -4.62 0.10 -0.89 4.72 1.02 0.12 -1.57 120.64 119.52 1yrl n GLU 84 Ca 0.03 0.48 -0.05 0.00 -0.02 0.00 0.00 57.16 57.59 1yrl n GLU 84 Cb 0.09 -1.76 0.26 0.00 -0.02 0.00 0.00 31.44 30.01 1yrl n GLU 84 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1yrl n ASN 85 N -1.96 3.94 -3.04 1.62 3.02 -0.52 -4.95 115.26 113.39 1yrl n ASN 85 Ca 0.01 -3.37 -0.22 0.00 -0.03 0.00 0.00 54.58 50.97 1yrl n ASN 85 Cb 0.10 -0.69 0.02 0.00 -0.61 0.00 0.00 39.78 38.60 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 -0.60 -0.51 3.83 7.41 0.00 -0.61 -4.99 105.19 109.72 1yrl n GLY 86 Ca 0.38 0.10 -0.26 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.06 3.21 -0.28 1.61 0.08 -1.07 -5.06 117.98 113.41 1yrl s PHE 87 Ca 0.29 0.01 -0.26 0.00 0.12 0.00 0.00 56.93 57.09 1yrl s PHE 87 Cb -0.14 -1.54 0.00 0.00 -0.57 0.00 0.00 43.02 40.78 1yrl s PHE 87 CO 0.36 0.52 0.91 0.21 -0.10 0.00 0.00 175.22 177.11 1yrl s LYS 88 N -3.15 4.09 -0.12 0.44 2.20 -1.26 -4.52 119.74 117.42 1yrl s LYS 88 Ca 0.32 0.92 0.01 0.00 -0.36 0.00 0.00 55.97 56.85 1yrl s LYS 88 Cb -0.10 -3.69 -0.02 0.00 -1.51 0.00 0.00 37.83 32.51 1yrl s LYS 88 CO 0.24 -0.68 -0.13 0.54 -0.36 0.00 0.00 175.35 174.96 1yrl s VAL 89 N 3.13 3.04 0.00 4.02 0.11 -1.26 -0.87 120.40 128.57 1yrl s VAL 89 Ca 0.38 -0.68 0.00 0.00 -2.93 0.00 0.00 61.98 58.75 1yrl s VAL 89 Cb -0.14 -2.26 0.00 0.00 -1.53 0.00 0.00 36.38 32.45 1yrl s VAL 89 CO 0.11 0.54 0.00 0.61 -3.33 0.00 0.00 175.10 173.02 1yrl n GLY 90 N 3.32 3.93 3.99 6.54 0.00 -0.32 -4.98 105.19 117.67 1yrl n GLY 90 Ca -0.18 -1.53 -0.19 0.00 0.00 0.00 0.00 46.02 44.13 1yrl n GLY 90 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yrl s THR 91 N -2.00 3.21 0.10 2.61 -4.23 -1.26 -1.57 115.64 112.50 1yrl s THR 91 Ca 0.00 -0.89 -0.27 0.00 -1.18 0.00 0.00 61.69 59.34 1yrl s THR 91 Cb 0.00 -3.11 -0.12 0.00 1.34 0.00 0.00 72.50 70.61 1yrl s THR 91 CO 0.00 -0.05 1.66 1.88 -0.54 0.00 0.00 174.62 177.56 1yrl h TYR 92 N 0.55 -0.58 0.00 3.99 0.05 -1.89 -0.70 116.97 118.41 1yrl h TYR 92 Ca -0.42 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.36 1yrl h TYR 92 Cb 1.28 0.22 0.00 0.00 1.01 0.00 0.00 36.73 39.24 1yrl h TYR 92 CO 0.40 -0.32 0.00 -0.85 -1.05 0.00 0.00 178.16 176.34 1yrl n GLU 93 N -5.34 0.02 -0.06 4.88 0.00 -1.26 -0.87 120.64 118.00 1yrl n GLU 93 Ca -0.08 0.38 -0.06 0.00 0.00 0.00 0.00 57.16 57.40 1yrl n GLU 93 Cb 0.25 -1.54 -0.15 0.00 0.00 0.00 0.00 31.44 30.00 1yrl n GLU 93 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1yrl n GLU 94 N -1.58 0.67 -0.01 3.44 2.13 -0.58 -4.67 120.64 120.04 1yrl n GLU 94 Ca 0.02 0.02 -0.01 0.00 0.66 0.00 0.00 57.16 57.85 1yrl n GLU 94 Cb 0.10 -1.58 -0.03 0.00 0.27 0.00 0.00 31.44 30.20 1yrl n GLU 94 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1yrl n LEU 95 N -2.72 0.00 0.09 4.31 4.77 -0.37 -4.81 117.00 118.26 1yrl n LEU 95 Ca -0.24 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.61 1yrl n LEU 95 Cb 1.02 0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 42.09 1yrl n LEU 95 CO 0.44 0.06 0.72 0.40 -1.33 0.00 0.00 177.39 177.67 1yrl h ILE 96 N 0.00 0.97 -1.62 -0.08 1.08 -1.19 -3.26 117.51 113.40 1yrl h ILE 96 Ca -0.06 -0.41 0.47 0.00 -0.39 0.00 0.00 64.86 64.47 1yrl h ILE 96 Cb 0.91 1.22 -0.06 0.00 -3.07 0.00 0.00 36.82 35.82 1yrl h ILE 96 CO 0.00 0.10 1.21 1.55 -0.69 0.00 0.00 178.15 180.33 1yrl h PRO 97 N -0.37 0.00 -0.19 2.37 0.13 -1.72 0.27 132.00 132.48 1yrl h PRO 97 Ca -0.02 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.99 1yrl h PRO 97 Cb 0.30 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.35 1yrl h PRO 97 CO 0.03 0.00 -0.40 1.04 -0.23 0.00 0.00 178.00 178.44 1yrl n GLN 98 N -3.94 1.89 -3.60 0.86 1.13 -1.23 -4.00 117.38 108.50 1yrl n GLN 98 Ca 0.36 -3.37 -0.36 0.00 -1.94 0.00 0.00 57.00 51.68 1yrl n GLN 98 Cb 1.71 -1.76 -0.06 0.00 0.11 0.00 0.00 30.24 30.25 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 -3.29 3.74 -0.12 -1.58 0.00 0.96 -4.72 121.76 116.74 1yrl s ALA 99 Ca 0.42 -0.36 0.20 0.00 0.00 0.00 0.00 51.96 52.22 1yrl s ALA 99 Cb 0.39 -2.27 -0.24 0.00 0.00 0.00 0.00 23.12 21.00 1yrl s ALA 99 CO -0.04 0.54 0.47 -0.25 0.00 0.00 0.00 175.76 176.49 1yrl n ASP 100 N 1.46 0.26 -3.62 0.00 8.00 -0.19 -4.65 116.55 117.81 1yrl n ASP 100 Ca -0.12 0.11 -0.14 0.00 0.71 0.00 0.00 54.79 55.35 1yrl n ASP 100 Cb 0.53 1.15 -0.13 0.00 -0.02 0.00 0.00 41.12 42.64 1yrl n ASP 100 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1yrl s LEU 101 N -5.17 -0.28 -0.34 0.64 2.96 -1.10 -0.55 118.68 114.85 1yrl s LEU 101 Ca -0.07 0.44 -0.09 0.00 -0.22 0.00 0.00 54.13 54.18 1yrl s LEU 101 Cb 0.10 0.65 0.01 0.00 0.50 0.00 0.00 46.19 47.45 1yrl s LEU 101 CO 0.85 -0.26 0.16 -0.69 -1.32 0.00 0.00 176.35 175.10 1yrl s VAL 102 N 2.40 4.42 -0.38 1.68 1.01 0.13 -0.80 120.40 128.86 1yrl s VAL 102 Ca 0.03 -0.70 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 1yrl s VAL 102 Cb -0.13 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1yrl s VAL 102 CO -0.09 -0.07 0.38 -0.63 0.00 0.00 0.00 175.10 174.68 1yrl s ILE 103 N 1.55 5.15 -0.65 2.22 1.01 -0.16 0.38 121.20 130.70 1yrl s ILE 103 Ca 0.03 -0.20 -0.22 0.00 0.00 0.00 0.00 60.65 60.25 1yrl s ILE 103 Cb -0.18 -3.92 0.07 0.00 0.01 0.00 0.00 42.46 38.44 1yrl s ILE 103 CO 0.06 -0.25 0.95 0.21 0.00 0.00 0.00 174.94 175.90 1yrl s ASN 104 N 1.76 6.17 -0.33 3.58 2.47 0.77 -0.77 114.94 128.59 1yrl s ASN 104 Ca 0.11 -1.02 0.07 0.00 0.42 0.00 0.00 52.86 52.44 1yrl s ASN 104 Cb -0.17 -2.41 0.49 0.00 -1.45 0.00 0.00 41.25 37.71 1yrl s ASN 104 CO 0.12 -1.42 1.46 0.18 -3.72 0.00 0.00 177.10 173.72 1yrl n LEU 105 N 7.62 4.62 -4.93 3.21 4.77 -0.79 -4.37 117.00 127.12 1yrl n LEU 105 Ca -0.04 -4.05 -0.25 0.00 -0.03 0.00 0.00 56.01 51.64 1yrl n LEU 105 Cb 0.45 -0.61 0.04 0.00 -2.33 0.00 0.00 43.42 40.97 1yrl n LEU 105 CO 0.64 1.47 0.48 0.42 -1.33 0.00 0.00 177.39 179.07 1yrl s THR 106 N -3.69 3.28 0.47 -5.08 -4.23 -1.22 -4.66 115.64 100.51 1yrl s THR 106 Ca 0.48 -0.24 -0.24 0.00 -1.18 0.00 0.00 61.69 60.51 1yrl s THR 106 Cb 0.42 -3.30 -0.07 0.00 1.34 0.00 0.00 72.50 70.89 1yrl s THR 106 CO 0.00 -0.28 1.31 -2.16 -0.54 0.00 0.00 174.62 172.95 1yrl s PRO 107 N -4.93 3.61 0.27 3.99 0.04 -1.26 -4.80 135.00 131.92 1yrl s PRO 107 Ca 0.55 2.14 -0.09 0.00 0.04 0.00 0.00 61.00 63.64 1yrl s PRO 107 Cb -0.10 -2.51 0.43 0.00 0.04 0.00 0.00 34.50 32.36 1yrl s PRO 107 CO 0.43 -0.78 1.57 -0.44 0.04 0.00 0.00 177.00 177.82 1yrl h ASP 108 N 2.10 -0.89 -1.01 6.66 3.32 -1.99 0.90 116.42 125.51 1yrl h ASP 108 Ca -0.50 0.29 0.24 0.00 0.02 0.00 0.00 57.03 57.07 1yrl h ASP 108 Cb 1.27 0.59 -0.11 0.00 0.22 0.00 0.00 39.33 41.30 1yrl h ASP 108 CO 0.60 -0.32 0.62 0.50 -1.72 0.00 0.00 179.24 178.92 1yrl h LYS 109 N -0.00 0.57 0.00 3.56 3.64 -2.02 0.32 116.57 122.63 1yrl h LYS 109 Ca 0.46 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1yrl h LYS 109 Cb 0.70 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1yrl h LYS 109 CO -0.99 0.37 -0.26 1.04 -2.27 0.00 0.00 179.45 177.35 1yrl n GLN 110 N -4.79 0.21 -0.15 1.90 6.02 0.29 -4.47 117.38 116.39 1yrl n GLN 110 Ca 0.26 0.12 -0.10 0.00 -0.01 0.00 0.00 57.00 57.27 1yrl n GLN 110 Cb 0.73 -1.69 -0.05 0.00 1.02 0.00 0.00 30.24 30.25 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 0.00 -1.31 -0.86 1.08 3.86 -0.68 -0.73 115.15 116.51 1yrl h HIS 111 Ca 0.00 0.07 0.13 0.00 -1.16 0.00 0.00 60.37 59.42 1yrl h HIS 111 Cb 0.69 0.64 -0.09 0.00 1.06 0.00 0.00 27.41 29.70 1yrl h HIS 111 CO 0.00 -0.44 0.47 1.03 0.86 0.00 0.00 177.93 179.84 1yrl h SER 112 N -0.30 0.60 -0.27 2.45 0.87 -1.78 -0.06 113.55 115.06 1yrl h SER 112 Ca 0.14 0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.72 1yrl h SER 112 Cb 0.58 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1yrl h SER 112 CO -0.61 0.28 -0.07 0.44 -0.53 0.00 0.00 176.83 176.34 1yrl h ASP 113 N 0.70 0.52 -0.10 6.23 5.19 -1.63 -2.13 116.42 125.19 1yrl h ASP 113 Ca 0.45 -0.37 0.03 0.00 -0.62 0.00 0.00 57.03 56.52 1yrl h ASP 113 Cb 0.57 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.91 1yrl h ASP 113 CO -0.33 0.77 -0.07 0.58 -3.12 0.00 0.00 179.24 177.07 1yrl h VAL 114 N 0.27 0.78 0.00 -1.35 2.07 -0.27 -2.44 116.25 115.30 1yrl h VAL 114 Ca 0.07 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 1yrl h VAL 114 Cb 0.55 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1yrl h VAL 114 CO 0.03 0.00 -0.24 0.58 0.02 0.00 0.00 177.57 177.95 1yrl h VAL 115 N -0.08 1.15 0.00 2.57 2.07 -1.05 -1.69 116.25 119.22 1yrl h VAL 115 Ca 0.07 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 1yrl h VAL 115 Cb 0.18 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1yrl h VAL 115 CO -0.15 0.24 -0.15 0.03 0.02 0.00 0.00 177.57 177.56 1yrl h ARG 116 N 0.00 0.00 0.00 1.57 2.47 -0.89 -2.50 114.38 115.03 1yrl h ARG 116 Ca -0.00 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.66 1yrl h ARG 116 Cb 0.44 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 1yrl h ARG 116 CO 0.03 0.15 -1.74 0.25 0.56 0.00 0.00 179.97 179.22 1yrl n THR 117 N -3.29 0.21 0.07 2.04 -2.24 -1.06 -4.57 114.28 105.43 1yrl n THR 117 Ca 0.00 -0.39 -0.17 0.00 -2.27 0.00 0.00 64.05 61.22 1yrl n THR 117 Cb 0.40 -0.01 -0.14 0.00 -2.10 0.00 0.00 70.33 68.47 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 1.18 0.29 2.28 2.07 -1.33 -3.37 116.25 117.36 1yrl h VAL 118 Ca -0.08 -2.81 0.00 0.00 0.82 0.00 0.00 66.70 64.63 1yrl h VAL 118 Cb 0.94 2.77 -0.03 0.00 -1.52 0.00 0.00 31.29 33.45 1yrl h VAL 118 CO 0.00 0.82 -0.33 1.56 0.02 0.00 0.00 177.57 179.65 1yrl h GLN 119 N 0.07 -0.63 -1.09 1.57 4.20 -1.69 -1.92 115.11 115.62 1yrl h GLN 119 Ca -0.23 0.04 0.33 0.00 0.06 0.00 0.00 58.65 58.85 1yrl h GLN 119 Cb 2.01 0.14 -0.12 0.00 0.30 0.00 0.00 27.48 29.81 1yrl h GLN 119 CO 0.16 -0.42 0.67 -1.35 -0.67 0.00 0.00 178.83 177.22 1yrl h PRO 120 N -0.66 0.30 0.00 1.46 0.11 -1.81 0.29 132.00 131.69 1yrl h PRO 120 Ca -0.01 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1yrl h PRO 120 Cb 0.61 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.66 1yrl h PRO 120 CO -0.09 0.20 -0.24 -0.07 -0.21 0.00 0.00 178.00 177.59 1yrl h LEU 121 N 0.31 0.00 -9.66 2.35 3.38 -1.61 -3.46 115.31 106.62 1yrl h LEU 121 Ca 0.71 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 58.15 1yrl h LEU 121 Cb 1.81 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.59 1yrl h LEU 121 CO -0.45 0.01 0.69 -0.04 0.09 0.00 0.00 178.44 178.74 1yrl s MET 122 N -3.24 4.35 0.36 1.13 -1.94 0.10 -3.15 119.30 116.92 1yrl s MET 122 Ca 0.05 2.10 -0.06 0.00 -1.71 0.00 0.00 55.69 56.07 1yrl s MET 122 Cb 0.06 -3.19 0.09 0.00 2.01 0.00 0.00 34.83 33.80 1yrl s MET 122 CO 0.70 -0.33 0.29 0.36 -0.01 0.00 0.00 175.02 176.03 1yrl n LYS 123 N 2.91 -1.94 -3.15 2.03 2.85 -1.26 -4.97 118.16 114.63 1yrl n LYS 123 Ca 0.08 -0.47 -0.39 0.00 -1.05 0.00 0.00 58.31 56.48 1yrl n LYS 123 Cb 0.42 -0.48 -0.06 0.00 -0.65 0.00 0.00 35.03 34.27 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 -2.33 7.04 0.00 -5.58 -1.08 -1.26 -3.79 116.67 109.68 1yrl s ASP 124 Ca 0.20 1.24 0.00 0.00 -0.52 0.00 0.00 52.55 53.47 1yrl s ASP 124 Cb -0.02 -2.39 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1yrl s ASP 124 CO 0.15 0.09 0.00 0.61 0.52 0.00 0.00 175.17 176.55 1yrl n GLY 125 N 2.38 1.21 3.72 2.66 0.00 -1.23 -5.03 105.19 108.90 1yrl n GLY 125 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.49 1.86 -0.06 4.61 0.00 -1.25 -4.57 121.76 118.86 1yrl s ALA 126 Ca 0.00 0.45 -0.01 0.00 0.00 0.00 0.00 51.96 52.40 1yrl s ALA 126 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1yrl s ALA 126 CO 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 175.76 173.49 1yrl s ALA 127 N -2.75 3.28 -0.17 0.00 0.00 0.29 -2.02 121.76 120.39 1yrl s ALA 127 Ca 0.64 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.75 1yrl s ALA 127 Cb -0.20 -1.44 -0.00 0.00 0.00 0.00 0.00 23.12 21.48 1yrl s ALA 127 CO 0.57 0.61 -0.13 -1.17 0.00 0.00 0.00 175.76 175.63 1yrl s LEU 128 N -1.07 2.58 0.07 0.00 2.96 0.52 0.19 118.68 123.94 1yrl s LEU 128 Ca 0.15 -0.44 0.07 0.00 -0.22 0.00 0.00 54.13 53.69 1yrl s LEU 128 Cb -0.11 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 1yrl s LEU 128 CO 0.04 0.07 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.15 1yrl s GLY 129 N 0.94 1.66 0.36 7.98 0.00 0.16 -1.82 107.32 116.60 1yrl s GLY 129 Ca -0.02 -1.24 0.04 0.00 0.00 0.00 0.00 44.72 43.49 1yrl s GLY 129 CO -0.01 -1.17 0.07 -0.19 0.00 0.00 0.00 173.10 171.80 1yrl s TYR 130 N -1.05 1.91 -0.00 1.90 1.51 -0.84 -0.17 117.35 120.61 1yrl s TYR 130 Ca 0.17 -1.05 0.02 0.00 -1.01 0.00 0.00 57.07 55.21 1yrl s TYR 130 Cb -0.11 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.44 1yrl s TYR 130 CO 0.08 -0.07 0.05 0.43 -1.11 0.00 0.00 175.55 174.94 1yrl n SER 131 N -0.88 4.45 -3.85 2.29 7.64 -1.26 -2.31 113.62 119.70 1yrl n SER 131 Ca -0.04 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.69 1yrl n SER 131 Cb 0.66 1.08 -0.15 0.00 -1.01 0.00 0.00 64.21 64.79 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 -2.16 0.20 -1.07 1.43 5.65 -1.26 -4.36 115.29 113.72 1yrl s HIS 132 Ca -0.01 0.00 0.02 0.00 0.25 0.00 0.00 55.06 55.32 1yrl s HIS 132 Cb 0.01 -0.24 0.09 0.00 -1.18 0.00 0.00 32.58 31.27 1yrl s HIS 132 CO 0.10 -0.06 0.71 0.41 -0.65 0.00 0.00 174.74 175.25 1yrl n GLY 133 N 3.59 1.35 0.09 1.59 0.00 -1.26 -4.34 105.19 106.21 1yrl n GLY 133 Ca -0.20 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 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 0.48 0.16 -0.95 1.61 3.04 -1.96 -0.15 116.94 119.18 1yrl h PHE 134 Ca 0.00 0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.05 1yrl h PHE 134 Cb 0.60 -0.05 -0.07 0.00 2.56 0.00 0.00 35.95 38.99 1yrl h PHE 134 CO 0.12 0.09 0.61 -0.97 -2.02 0.00 0.00 178.31 176.15 1yrl h ASN 135 N 0.18 0.91 0.02 0.41 -0.00 -1.92 -0.43 115.58 114.75 1yrl h ASN 135 Ca 0.06 0.02 -0.03 0.00 -0.00 0.00 0.00 56.30 56.36 1yrl h ASN 135 Cb 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 38.32 38.16 1yrl h ASN 135 CO -0.04 0.54 -0.13 0.40 -0.00 0.00 0.00 177.43 178.21 1yrl h ILE 136 N 1.01 1.72 0.02 2.57 1.08 -1.80 -1.86 117.51 120.25 1yrl h ILE 136 Ca 0.44 -2.29 -0.00 0.00 -0.39 0.00 0.00 64.86 62.62 1yrl h ILE 136 Cb 0.34 3.27 0.00 0.00 -3.07 0.00 0.00 36.82 37.36 1yrl h ILE 136 CO -0.19 0.60 -0.01 0.58 -0.69 0.00 0.00 178.15 178.44 1yrl h VAL 137 N -0.85 1.14 0.04 1.67 2.07 -0.96 -3.13 116.25 116.23 1yrl h VAL 137 Ca -0.02 -1.76 -0.06 0.00 0.82 0.00 0.00 66.70 65.68 1yrl h VAL 137 Cb 1.06 2.12 0.01 0.00 -1.52 0.00 0.00 31.29 32.96 1yrl h VAL 137 CO 0.02 0.37 -0.25 -0.33 0.02 0.00 0.00 177.57 177.41 1yrl h GLU 138 N -0.97 0.09 0.00 1.57 4.39 -1.27 -1.80 114.58 116.59 1yrl h GLU 138 Ca -0.00 -0.15 -0.14 0.00 0.34 0.00 0.00 59.36 59.40 1yrl h GLU 138 Cb 0.64 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 1yrl h GLU 138 CO 0.01 1.07 -0.67 0.28 -1.16 0.00 0.00 179.01 178.54 1yrl h VAL 139 N -0.81 1.33 0.00 3.13 2.07 -1.47 -3.11 116.25 117.39 1yrl h VAL 139 Ca -0.04 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.05 1yrl h VAL 139 Cb 1.19 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1yrl h VAL 139 CO 0.05 0.66 0.00 0.61 0.02 0.00 0.00 177.57 178.90 1yrl n GLY 140 N 0.73 0.46 3.57 2.17 0.00 -1.02 -4.86 105.19 106.25 1yrl n GLY 140 Ca -0.00 -0.83 -0.49 0.00 0.00 0.00 0.00 46.02 44.70 1yrl n GLY 140 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1yrl n GLU 141 N -2.89 1.11 -3.41 1.61 4.07 -0.73 -4.93 120.64 115.47 1yrl n GLU 141 Ca 0.00 0.40 -0.44 0.00 -0.06 0.00 0.00 57.16 57.06 1yrl n GLU 141 Cb 0.00 -1.90 -0.08 0.00 -0.06 0.00 0.00 31.44 29.40 1yrl n GLU 141 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1yrl s GLN 142 N -0.30 2.97 0.04 5.31 -1.52 -1.26 -4.80 119.66 120.11 1yrl s GLN 142 Ca 0.75 -1.26 -0.19 0.00 -1.95 0.00 0.00 55.36 52.71 1yrl s GLN 142 Cb -0.87 -4.08 -0.06 0.00 -0.22 0.00 0.00 33.01 27.77 1yrl s GLN 142 CO 0.52 -0.95 0.54 0.42 -0.25 0.00 0.00 175.29 175.57 1yrl s ILE 143 N 1.65 4.83 0.16 1.08 -1.09 -1.26 -5.00 121.20 121.56 1yrl s ILE 143 Ca 0.04 1.14 -0.32 0.00 -2.23 0.00 0.00 60.65 59.28 1yrl s ILE 143 Cb -0.23 -3.87 -0.17 0.00 -1.58 0.00 0.00 42.46 36.62 1yrl s ILE 143 CO 0.08 0.54 0.91 -1.14 -1.23 0.00 0.00 174.94 174.09 1yrl n ARG 144 N 1.92 0.54 -0.36 2.79 0.63 -1.26 -4.82 116.66 116.10 1yrl n ARG 144 Ca -0.10 0.19 0.26 0.00 -0.92 0.00 0.00 57.85 57.28 1yrl n ARG 144 Cb 0.51 -1.51 0.52 0.00 0.45 0.00 0.00 32.46 32.43 1yrl n ARG 144 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 1yrl h LYS 145 N 2.33 0.28 -0.00 -0.14 5.09 -1.94 -0.87 116.57 121.32 1yrl h LYS 145 Ca -0.39 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.33 1yrl h LYS 145 Cb 1.39 -0.06 0.00 0.00 0.10 0.00 0.00 32.23 33.66 1yrl h LYS 145 CO 0.63 0.18 -0.22 -0.40 -2.09 0.00 0.00 179.45 177.56 1yrl n ASP 146 N -4.90 0.60 -4.72 7.07 5.75 -1.26 -4.60 116.55 114.48 1yrl n ASP 146 Ca 0.32 -0.51 -0.39 0.00 -0.01 0.00 0.00 54.79 54.20 1yrl n ASP 146 Cb 1.06 0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 41.11 1yrl n ASP 146 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1yrl s ILE 147 N -2.63 5.07 -0.17 2.12 1.01 -0.33 -3.47 121.20 122.80 1yrl s ILE 147 Ca 0.23 1.29 -0.22 0.00 0.00 0.00 0.00 60.65 61.95 1yrl s ILE 147 Cb 0.19 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 1yrl s ILE 147 CO 0.54 0.29 0.66 -0.89 0.00 0.00 0.00 174.94 175.54 1yrl s THR 148 N 0.66 5.01 -0.21 2.92 2.01 -0.86 -4.58 115.64 120.60 1yrl s THR 148 Ca 0.34 1.28 -0.06 0.00 0.31 0.00 0.00 61.69 63.55 1yrl s THR 148 Cb -0.17 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.33 1yrl s THR 148 CO 0.16 0.13 0.03 -0.69 -0.69 0.00 0.00 174.62 173.55 1yrl s VAL 149 N 1.73 4.22 0.27 3.82 1.01 -0.42 -0.35 120.40 130.67 1yrl s VAL 149 Ca 0.31 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1yrl s VAL 149 Cb -0.16 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1yrl s VAL 149 CO 0.12 0.41 0.11 0.68 0.00 0.00 0.00 175.10 176.42 1yrl s VAL 150 N 0.99 0.52 -0.00 2.92 -7.23 -0.76 -1.73 120.40 115.10 1yrl s VAL 150 Ca 0.03 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.18 1yrl s VAL 150 Cb -0.14 -2.61 -0.00 0.00 0.56 0.00 0.00 36.38 34.18 1yrl s VAL 150 CO 0.02 0.00 0.02 -0.32 -0.31 0.00 0.00 175.10 174.51 1yrl s MET 151 N -4.00 0.15 -0.22 4.82 1.75 0.19 -1.99 119.30 120.00 1yrl s MET 151 Ca 0.37 -0.19 -0.04 0.00 -1.25 0.00 0.00 55.69 54.58 1yrl s MET 151 Cb 0.07 0.06 0.07 0.00 2.84 0.00 0.00 34.83 37.88 1yrl s MET 151 CO 0.14 -0.03 0.09 0.08 -0.65 0.00 0.00 175.02 174.66 1yrl s VAL 152 N -0.54 0.12 -0.41 10.11 1.01 -0.98 -1.19 120.40 128.52 1yrl s VAL 152 Ca -0.06 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1yrl s VAL 152 Cb -0.04 -0.86 0.11 0.00 0.00 0.00 0.00 36.38 35.59 1yrl s VAL 152 CO -0.00 -0.42 0.17 0.00 0.00 0.00 0.00 175.10 174.85 1yrl s ALA 153 N 2.03 3.12 0.18 5.51 0.00 0.15 -4.49 121.76 128.26 1yrl s ALA 153 Ca 0.04 -2.68 -0.32 0.00 0.00 0.00 0.00 51.96 49.00 1yrl s ALA 153 Cb -0.16 -2.25 -0.12 0.00 0.00 0.00 0.00 23.12 20.59 1yrl s ALA 153 CO -0.18 -1.81 1.74 -2.30 0.00 0.00 0.00 175.76 173.22 1yrl n PRO 154 N 4.21 2.74 -2.01 0.00 -0.02 -1.26 -1.70 135.00 136.96 1yrl n PRO 154 Ca 0.02 0.99 -0.39 0.00 -2.02 0.00 0.00 63.50 62.10 1yrl n PRO 154 Cb 0.40 -2.84 -0.03 0.00 -0.02 0.00 0.00 33.50 31.01 1yrl n PRO 154 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1yrl n LYS 155 N 4.36 2.43 -3.64 -0.52 4.76 0.64 -4.81 118.16 121.39 1yrl n LYS 155 Ca 0.17 -2.68 -0.08 0.00 -2.87 0.00 0.00 58.31 52.85 1yrl n LYS 155 Cb 0.35 -3.41 -0.07 0.00 -1.84 0.00 0.00 35.03 30.06 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 5.06 0.00 0.00 0.00 0.13 -1.94 -3.47 132.00 131.78 1yrl h PRO 157 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1yrl h PRO 157 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1yrl h PRO 157 CO 0.12 0.46 0.00 0.41 -0.23 0.00 0.00 178.00 178.76 1yrl n GLY 158 N 0.09 4.06 0.47 1.56 0.00 -1.26 -4.57 105.19 105.54 1yrl n GLY 158 Ca -0.01 -0.68 0.11 0.00 0.00 0.00 0.00 46.02 45.44 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 0.15 0.27 2.61 -2.24 -1.26 -4.19 114.28 109.62 1yrl n THR 159 Ca 0.00 -0.29 0.18 0.00 -2.27 0.00 0.00 64.05 61.67 1yrl n THR 159 Cb 0.00 0.30 0.94 0.00 -2.10 0.00 0.00 70.33 69.47 1yrl n THR 159 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1yrl h GLU 160 N 1.95 0.00 0.00 -0.78 9.09 -1.96 0.31 114.58 123.19 1yrl h GLU 160 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 1yrl h GLU 160 Cb 0.42 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.52 1yrl h GLU 160 CO 0.00 0.00 -0.07 -0.24 0.05 0.00 0.00 179.01 178.75 1yrl h VAL 161 N 0.00 0.31 0.06 -1.06 3.04 -1.95 0.40 116.25 117.06 1yrl h VAL 161 Ca 0.04 -0.45 -0.36 0.00 -1.01 0.00 0.00 66.70 64.92 1yrl h VAL 161 Cb 0.34 1.34 -0.04 0.00 -2.01 0.00 0.00 31.29 30.92 1yrl h VAL 161 CO -0.00 0.07 -2.04 -1.14 -1.01 0.00 0.00 177.57 173.45 1yrl n ARG 162 N -3.38 0.69 -0.18 4.17 3.00 0.10 -3.48 116.66 117.58 1yrl n ARG 162 Ca -0.01 0.29 -0.05 0.00 -0.00 0.00 0.00 57.85 58.07 1yrl n ARG 162 Cb 0.23 -1.65 0.05 0.00 0.00 0.00 0.00 32.46 31.09 1yrl n ARG 162 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1yrl h GLU 163 N -0.23 0.59 -0.48 -0.14 5.08 -0.96 -1.53 114.58 116.91 1yrl h GLU 163 Ca -0.48 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 57.78 1yrl h GLU 163 Cb 1.84 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.94 1yrl h GLU 163 CO -0.05 0.39 0.03 0.93 -1.00 0.00 0.00 179.01 179.30 1yrl h GLU 164 N 0.60 0.78 -0.29 2.33 4.39 -0.39 -2.81 114.58 119.20 1yrl h GLU 164 Ca 0.22 -0.20 -0.10 0.00 0.34 0.00 0.00 59.36 59.62 1yrl h GLU 164 Cb 0.05 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1yrl h GLU 164 CO -0.11 0.77 -0.25 -0.92 -1.16 0.00 0.00 179.01 177.33 1yrl h TYR 165 N 0.73 0.63 0.00 4.33 3.20 -1.43 0.10 116.97 124.53 1yrl h TYR 165 Ca 0.15 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1yrl h TYR 165 Cb 0.41 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1yrl h TYR 165 CO 0.02 0.76 0.00 0.87 -1.64 0.00 0.00 178.16 178.17 1yrl h LYS 166 N 0.49 0.00 -0.60 1.82 1.57 -1.07 -2.08 116.57 116.70 1yrl h LYS 166 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1yrl h LYS 166 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1yrl h LYS 166 CO 0.05 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.47 1yrl n ARG 167 N -2.76 2.82 -1.02 3.15 1.74 -0.82 -4.88 116.66 114.89 1yrl n ARG 167 Ca 0.02 -2.03 -0.01 0.00 -0.77 0.00 0.00 57.85 55.06 1yrl n ARG 167 Cb 0.33 -1.65 -0.00 0.00 -1.02 0.00 0.00 32.46 30.11 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 1.00 0.42 0.00 -0.13 0.00 -0.78 -4.97 105.19 100.72 1yrl n GLY 168 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.75 0.00 -3.92 1.61 7.35 0.29 -5.00 117.46 115.04 1yrl n PHE 169 Ca -0.01 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.69 1yrl n PHE 169 Cb 0.13 0.00 0.01 0.00 0.35 0.00 0.00 39.48 39.98 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 0.44 3.57 7.13 0.00 -1.23 -3.65 105.19 116.46 1yrl n GLY 170 Ca 0.00 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.09 3.59 0.52 1.61 1.01 -1.26 -4.61 120.40 119.18 1yrl s VAL 171 Ca 0.21 -0.58 -0.23 0.00 0.00 0.00 0.00 61.98 61.38 1yrl s VAL 171 Cb -0.01 -2.48 -0.06 0.00 0.00 0.00 0.00 36.38 33.83 1yrl s VAL 171 CO 0.01 0.55 1.36 -0.81 0.00 0.00 0.00 175.10 176.21 1yrl n PRO 172 N 2.08 1.79 -4.07 2.72 -0.04 -1.26 -4.27 135.00 131.95 1yrl n PRO 172 Ca -0.17 0.65 -0.12 0.00 -0.04 0.00 0.00 63.50 63.82 1yrl n PRO 172 Cb 0.53 -2.57 -0.11 0.00 -0.04 0.00 0.00 33.50 31.30 1yrl n PRO 172 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1yrl s THR 173 N -1.27 0.54 -0.07 0.52 2.01 0.40 -0.26 115.64 117.51 1yrl s THR 173 Ca 0.69 -1.20 0.01 0.00 0.31 0.00 0.00 61.69 61.50 1yrl s THR 173 Cb -0.43 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 1yrl s THR 173 CO 0.51 -0.46 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.70 1yrl s LEU 174 N -1.79 3.21 0.13 4.42 0.20 -0.69 0.11 118.68 124.28 1yrl s LEU 174 Ca -0.07 -0.00 0.06 0.00 0.69 0.00 0.00 54.13 54.81 1yrl s LEU 174 Cb -0.08 -1.70 -0.04 0.00 -0.43 0.00 0.00 46.19 43.94 1yrl s LEU 174 CO -0.01 0.36 -0.14 0.27 -0.29 0.00 0.00 176.35 176.55 1yrl s ILE 175 N -0.81 1.37 0.14 6.68 -4.36 0.04 0.32 121.20 124.57 1yrl s ILE 175 Ca 0.12 -1.80 -0.24 0.00 -0.26 0.00 0.00 60.65 58.48 1yrl s ILE 175 Cb -0.11 -1.62 0.07 0.00 1.25 0.00 0.00 42.46 42.05 1yrl s ILE 175 CO 0.01 -0.46 0.66 0.00 0.24 0.00 0.00 174.94 175.39 1yrl s ALA 176 N -2.32 -1.62 -0.03 2.27 0.00 -0.33 -1.52 121.76 118.22 1yrl s ALA 176 Ca 0.11 0.53 -0.01 0.00 0.00 0.00 0.00 51.96 52.59 1yrl s ALA 176 Cb -0.04 0.81 0.03 0.00 0.00 0.00 0.00 23.12 23.92 1yrl s ALA 176 CO 0.03 -0.77 0.05 0.54 0.00 0.00 0.00 175.76 175.61 1yrl s VAL 177 N -3.65 -0.09 -0.18 0.00 0.11 -1.26 0.56 120.40 115.88 1yrl s VAL 177 Ca 0.02 0.37 -0.29 0.00 -2.93 0.00 0.00 61.98 59.15 1yrl s VAL 177 Cb -0.01 -0.13 -0.03 0.00 -1.53 0.00 0.00 36.38 34.67 1yrl s VAL 177 CO -0.11 0.16 1.58 -2.28 -3.33 0.00 0.00 175.10 171.11 1yrl s HIS 178 N 1.86 2.17 0.32 1.54 2.46 -0.71 -4.83 115.29 118.10 1yrl s HIS 178 Ca 0.01 0.52 0.08 0.00 0.47 0.00 0.00 55.06 56.15 1yrl s HIS 178 Cb -0.12 -3.91 0.82 0.00 -0.13 0.00 0.00 32.58 29.24 1yrl s HIS 178 CO -0.03 -2.98 1.76 -1.35 -2.47 0.00 0.00 174.74 169.67 1yrl h PRO 179 N 10.16 0.65 0.00 2.88 0.11 -2.00 -0.33 132.00 143.47 1yrl h PRO 179 Ca -0.34 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1yrl h PRO 179 Cb 1.15 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1yrl h PRO 179 CO 0.99 0.43 0.00 0.39 -0.21 0.00 0.00 178.00 179.60 1yrl n GLU 180 N -4.79 0.09 -3.10 1.05 -0.58 -1.26 -3.80 120.64 108.24 1yrl n GLU 180 Ca 0.25 0.34 -0.22 0.00 -0.42 0.00 0.00 57.16 57.11 1yrl n GLU 180 Cb 0.65 -1.67 -0.04 0.00 -0.57 0.00 0.00 31.44 29.82 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 -1.83 2.23 -2.65 1.62 4.13 -0.14 -4.89 115.26 113.73 1yrl n ASN 181 Ca 0.03 -3.26 -0.13 0.00 1.68 0.00 0.00 54.58 52.90 1yrl n ASN 181 Cb 0.19 -0.60 0.02 0.00 -1.54 0.00 0.00 39.78 37.85 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 0.14 2.05 -0.33 6.41 4.64 -1.25 -1.30 116.55 126.91 1yrl n ASP 182 Ca 0.27 -2.92 0.20 0.00 -1.38 0.00 0.00 54.79 50.96 1yrl n ASP 182 Cb 0.55 -0.52 0.41 0.00 -1.04 0.00 0.00 41.12 40.52 1yrl n ASP 182 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1yrl h PRO 183 N 2.92 0.33 -0.44 -0.67 0.11 -1.87 0.19 132.00 132.59 1yrl h PRO 183 Ca -0.02 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1yrl h PRO 183 Cb 1.12 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1yrl h PRO 183 CO 0.57 0.22 0.00 1.63 -0.21 0.00 0.00 178.00 180.21 1yrl n LYS 184 N -5.06 2.52 -2.44 1.05 5.02 -1.26 -4.94 118.16 113.05 1yrl n LYS 184 Ca 0.28 -2.33 -0.19 0.00 -2.02 0.00 0.00 58.31 54.05 1yrl n LYS 184 Cb 0.86 -1.51 -0.01 0.00 -0.02 0.00 0.00 35.03 34.35 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 1.49 -0.50 1.11 0.72 0.00 0.68 -4.85 105.19 103.83 1yrl n GLY 185 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.00 3.28 0.10 1.61 0.28 -1.26 -4.71 120.64 116.94 1yrl n GLU 186 Ca -0.22 -2.65 -0.09 0.00 -0.16 0.00 0.00 57.16 54.05 1yrl n GLU 186 Cb 0.67 -1.71 -0.05 0.00 1.43 0.00 0.00 31.44 31.77 1yrl n GLU 186 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1yrl h GLY 187 N 2.77 -1.09 0.35 -1.84 0.00 -1.89 -1.74 103.07 99.63 1yrl h GLY 187 Ca 0.00 0.52 0.19 0.00 0.00 0.00 0.00 47.33 48.04 1yrl h GLY 187 CO 0.17 -0.34 0.59 -0.33 0.00 0.00 0.00 176.54 176.63 1yrl h MET 188 N -0.45 0.44 0.20 4.80 2.86 -1.93 0.47 114.93 121.33 1yrl h MET 188 Ca -0.02 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1yrl h MET 188 Cb 0.41 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1yrl h MET 188 CO -0.09 0.29 -0.10 0.00 1.06 0.00 0.00 176.91 178.07 1yrl h ALA 189 N 1.61 -0.27 -0.35 6.32 0.00 -1.78 0.38 119.26 125.16 1yrl h ALA 189 Ca 0.46 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 1yrl h ALA 189 Cb 1.08 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1yrl h ALA 189 CO -0.18 -0.59 0.07 0.82 0.00 0.00 0.00 179.25 179.37 1yrl h ILE 190 N -0.39 1.23 -0.56 0.00 2.04 -0.60 -1.89 117.51 117.34 1yrl h ILE 190 Ca -0.03 -0.79 0.05 0.00 1.00 0.00 0.00 64.86 65.09 1yrl h ILE 190 Cb 0.30 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1yrl h ILE 190 CO 0.05 0.27 0.29 0.00 0.00 0.00 0.00 178.15 178.76 1yrl h ALA 191 N 0.92 0.73 -0.22 1.87 0.00 0.11 -1.47 119.26 121.19 1yrl h ALA 191 Ca 0.11 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1yrl h ALA 191 Cb 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1yrl h ALA 191 CO 0.00 -0.05 -0.52 0.87 0.00 0.00 0.00 179.25 179.55 1yrl h LYS 192 N 0.56 0.64 0.63 0.00 1.57 -0.17 -2.24 116.57 117.55 1yrl h LYS 192 Ca 0.25 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1yrl h LYS 192 Cb 0.16 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1yrl h LYS 192 CO -0.17 1.00 -0.37 0.00 -0.57 0.00 0.00 179.45 179.34 1yrl h ALA 193 N 0.93 -1.20 -0.52 3.86 0.00 -0.98 -0.06 119.26 121.29 1yrl h ALA 193 Ca 0.02 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.83 1yrl h ALA 193 Cb 1.07 0.47 -0.11 0.00 0.00 0.00 0.00 17.79 19.22 1yrl h ALA 193 CO 0.10 -1.16 -0.29 2.35 0.00 0.00 0.00 179.25 180.26 1yrl h TRP 194 N -0.92 -0.77 -0.17 0.00 7.01 -1.34 0.13 115.95 119.89 1yrl h TRP 194 Ca -0.08 0.06 0.05 0.00 2.11 0.00 0.00 58.89 61.03 1yrl h TRP 194 Cb 0.73 0.41 -0.07 0.00 -2.10 0.00 0.00 29.16 28.14 1yrl h TRP 194 CO -0.03 -0.35 -0.32 0.00 -2.79 0.00 0.00 178.44 174.94 1yrl h ALA 195 N 1.05 -0.35 -0.83 2.65 0.00 -1.27 -0.44 119.26 120.07 1yrl h ALA 195 Ca 0.22 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.22 1yrl h ALA 195 Cb 0.52 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1yrl h ALA 195 CO -0.61 -0.79 0.54 0.00 0.00 0.00 0.00 179.25 178.39 1yrl h ALA 196 N 0.46 1.56 -0.72 0.00 0.00 0.04 -0.62 119.26 119.98 1yrl h ALA 196 Ca 0.11 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1yrl h ALA 196 Cb 0.54 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1yrl h ALA 196 CO -0.38 0.33 0.47 0.00 0.00 0.00 0.00 179.25 179.68 1yrl h ALA 197 N 1.54 1.61 -0.00 0.00 0.00 0.80 0.23 119.26 123.44 1yrl h ALA 197 Ca 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1yrl h ALA 197 Cb 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1yrl h ALA 197 CO -0.12 0.31 -0.04 0.25 0.00 0.00 0.00 179.25 179.65 1yrl n THR 198 N -4.46 0.00 -0.04 0.00 -2.24 -0.30 -3.41 114.28 103.83 1yrl n THR 198 Ca 0.09 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1yrl n THR 198 Cb 0.14 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 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 1.46 0.42 0.41 3.38 0.00 0.07 -4.81 105.19 106.12 1yrl n GLY 199 Ca 0.08 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.32 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 0.66 2.00 -0.02 0.00 -1.58 -1.91 103.07 102.22 1yrl h GLY 200 Ca 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1yrl h GLY 200 CO 0.00 -0.01 -0.01 1.12 0.00 0.00 0.00 176.54 177.64 1yrl h HIS 201 N 0.30 0.00 -0.01 5.60 2.07 -1.85 -0.99 115.15 120.27 1yrl h HIS 201 Ca 0.46 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.85 1yrl h HIS 201 Cb 1.30 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.27 1yrl h HIS 201 CO -0.00 0.01 -0.61 0.00 -3.07 0.00 0.00 177.93 174.26 1yrl h ARG 202 N 0.00 0.03 0.00 5.12 3.08 -1.70 -3.32 114.38 117.59 1yrl h ARG 202 Ca -0.00 -0.02 -0.26 0.00 0.07 0.00 0.00 59.98 59.77 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 0.63 -2.16 0.00 -1.07 0.00 0.00 179.97 177.37 1yrl n ALA 203 N -2.43 1.81 0.00 0.04 0.00 -0.98 -4.31 120.51 114.64 1yrl n ALA 203 Ca -0.01 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.40 1yrl n ALA 203 Cb 0.61 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 1.78 4.41 3.15 0.00 0.00 -0.41 -4.62 105.19 109.49 1yrl n GLY 204 Ca -0.24 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.47 1.60 -0.20 1.61 1.01 -1.26 -0.45 120.40 122.25 1yrl s VAL 205 Ca 0.00 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 1yrl s VAL 205 Cb 0.00 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1yrl s VAL 205 CO 0.00 0.46 0.05 -0.76 0.00 0.00 0.00 175.10 174.85 1yrl s LEU 206 N 0.20 3.67 -0.62 3.92 1.02 0.12 -1.08 118.68 125.91 1yrl s LEU 206 Ca -0.09 -0.01 -0.21 0.00 0.02 0.00 0.00 54.13 53.84 1yrl s LEU 206 Cb -0.14 -1.94 0.08 0.00 0.02 0.00 0.00 46.19 44.21 1yrl s LEU 206 CO 0.04 0.12 0.83 -0.70 0.02 0.00 0.00 176.35 176.67 1yrl s GLU 207 N 0.67 3.09 0.00 1.70 2.12 -0.00 -0.78 118.70 125.49 1yrl s GLU 207 Ca 0.03 -1.03 0.00 0.00 0.36 0.00 0.00 54.97 54.32 1yrl s GLU 207 Cb -0.13 -4.23 0.00 0.00 0.26 0.00 0.00 34.13 30.02 1yrl s GLU 207 CO 0.02 -1.66 0.00 0.45 -0.54 0.00 0.00 175.26 173.53 1yrl n SER 208 N 7.02 0.00 -4.13 -1.70 2.88 -0.57 -2.00 113.62 115.12 1yrl n SER 208 Ca -0.06 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.39 1yrl n SER 208 Cb 0.44 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.80 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 0.74 0.56 0.21 -3.46 1.04 -1.25 -4.55 113.70 106.99 1yrl s SER 209 Ca 0.00 -1.08 -0.09 0.00 0.48 0.00 0.00 55.95 55.26 1yrl s SER 209 Cb 0.00 0.21 0.23 0.00 0.10 0.00 0.00 66.02 66.56 1yrl s SER 209 CO 0.00 -0.62 1.81 -0.26 0.98 0.00 0.00 173.24 175.15 1yrl h PHE 210 N 3.01 0.70 -0.38 5.02 -1.00 -1.91 0.20 116.94 122.59 1yrl h PHE 210 Ca -0.35 0.02 -0.10 0.00 2.81 0.00 0.00 57.97 60.36 1yrl h PHE 210 Cb 1.16 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 40.50 1yrl h PHE 210 CO 0.51 0.35 -0.16 0.28 -1.61 0.00 0.00 178.31 177.68 1yrl h VAL 211 N 0.71 1.28 -0.40 -0.55 2.07 -1.93 -0.87 116.25 116.57 1yrl h VAL 211 Ca 0.29 -1.28 -0.10 0.00 0.82 0.00 0.00 66.70 66.44 1yrl h VAL 211 Cb 0.15 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1yrl h VAL 211 CO -0.17 0.42 -0.15 0.00 0.02 0.00 0.00 177.57 177.70 1yrl h ALA 212 N 0.81 0.99 -0.32 1.67 0.00 -1.61 -2.26 119.26 118.54 1yrl h ALA 212 Ca 0.09 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1yrl h ALA 212 Cb 0.70 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1yrl h ALA 212 CO 0.05 0.60 -0.20 1.49 0.00 0.00 0.00 179.25 181.19 1yrl h GLU 213 N 0.66 0.71 -0.12 0.00 4.22 -0.82 -2.68 114.58 116.55 1yrl h GLU 213 Ca 0.11 -0.33 -0.02 0.00 0.08 0.00 0.00 59.36 59.20 1yrl h GLU 213 Cb 0.63 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1yrl h GLU 213 CO 0.04 0.93 -0.02 0.28 -2.18 0.00 0.00 179.01 178.07 1yrl h VAL 214 N 0.47 1.28 0.28 0.32 2.07 -1.04 -1.90 116.25 117.73 1yrl h VAL 214 Ca 0.07 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1yrl h VAL 214 Cb 0.74 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1yrl h VAL 214 CO 0.06 0.26 -0.13 0.11 0.02 0.00 0.00 177.57 177.88 1yrl h LYS 215 N -0.08 -0.36 -0.52 1.57 1.79 -1.50 -2.09 116.57 115.38 1yrl h LYS 215 Ca 0.03 0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1yrl h LYS 215 Cb 0.41 0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.12 1yrl h LYS 215 CO 0.01 -0.03 0.34 0.66 -1.08 0.00 0.00 179.45 179.34 1yrl h SER 216 N -0.73 0.58 -0.67 0.86 4.64 -1.59 -1.89 113.55 114.75 1yrl h SER 216 Ca -0.04 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1yrl h SER 216 Cb 0.49 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 1yrl h SER 216 CO 0.06 0.41 0.40 -0.78 -0.87 0.00 0.00 176.83 176.06 1yrl h ASP 217 N 0.68 0.80 -0.61 4.97 1.82 -1.38 -0.77 116.42 121.93 1yrl h ASP 217 Ca 0.19 -0.06 -0.05 0.00 -0.39 0.00 0.00 57.03 56.72 1yrl h ASP 217 Cb -0.06 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 39.72 1yrl h ASP 217 CO -0.05 0.62 0.17 -0.07 -1.61 0.00 0.00 179.24 178.30 1yrl h LEU 218 N 0.90 0.91 -0.33 2.28 3.38 -1.16 -2.58 115.31 118.71 1yrl h LEU 218 Ca 0.24 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1yrl h LEU 218 Cb -0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1yrl h LEU 218 CO -0.05 0.89 0.15 -0.03 0.09 0.00 0.00 178.44 179.49 1yrl h MET 219 N 0.88 0.48 0.86 1.13 4.05 -1.01 -2.56 114.93 118.76 1yrl h MET 219 Ca 0.19 -0.08 -0.04 0.00 -0.28 0.00 0.00 59.70 59.50 1yrl h MET 219 Cb 0.32 -0.08 0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1yrl h MET 219 CO -0.00 0.45 -0.42 0.78 0.23 0.00 0.00 176.91 177.95 1yrl h GLY 220 N 0.39 -1.21 0.64 1.39 0.00 -1.05 -1.84 103.07 101.39 1yrl h GLY 220 Ca 0.11 0.45 0.06 0.00 0.00 0.00 0.00 47.33 47.95 1yrl h GLY 220 CO -0.01 -0.44 0.30 1.05 0.00 0.00 0.00 176.54 177.44 1yrl h GLU 221 N -1.16 0.54 -0.02 4.80 4.11 -1.51 -0.81 114.58 120.53 1yrl h GLU 221 Ca -0.12 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.28 1yrl h GLU 221 Cb 0.89 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1yrl h GLU 221 CO 0.19 0.36 0.00 0.00 0.07 0.00 0.00 179.01 179.63 1yrl n GLN 222 N -4.87 1.13 0.00 1.06 10.64 -0.97 -1.88 117.38 122.50 1yrl n GLN 222 Ca 0.07 -0.19 0.00 0.00 -1.83 0.00 0.00 57.00 55.05 1yrl n GLN 222 Cb 0.18 -1.39 0.00 0.00 -0.86 0.00 0.00 30.24 28.16 1yrl n GLN 222 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1yrl n THR 223 N -0.67 0.00 -0.08 -0.39 -1.04 -0.53 -4.21 114.28 107.36 1yrl n THR 223 Ca 0.18 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.06 1yrl n THR 223 Cb 0.13 -0.51 -0.14 0.00 -1.82 0.00 0.00 70.33 67.99 1yrl n THR 223 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yrl n ILE 224 N -1.01 1.51 0.06 12.58 0.00 -0.72 0.74 119.36 132.52 1yrl n ILE 224 Ca 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 62.75 61.99 1yrl n ILE 224 Cb 0.00 -0.99 0.25 0.00 0.00 0.00 0.00 39.64 38.90 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 0.01 0.36 0.00 9.51 3.38 -1.40 -3.37 115.31 123.81 1yrl h LEU 225 Ca -0.49 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1yrl h LEU 225 Cb 2.08 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1yrl h LEU 225 CO 0.02 0.63 -0.26 0.00 0.09 0.00 0.00 178.44 178.91 1yrl h GLY 227 N 0.00 0.04 1.03 0.00 0.00 -1.41 -1.12 103.07 101.61 1yrl h GLY 227 Ca 0.00 0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.54 1yrl h GLY 227 CO 0.00 -0.20 0.20 -0.33 0.00 0.00 0.00 176.54 176.21 1yrl h MET 228 N -0.14 1.04 -0.18 4.80 2.86 0.14 -1.44 114.93 122.00 1yrl h MET 228 Ca 0.19 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1yrl h MET 228 Cb 0.44 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1yrl h MET 228 CO -0.48 0.91 0.08 -0.07 1.06 0.00 0.00 176.91 178.42 1yrl h LEU 229 N 0.97 0.23 0.37 1.22 4.07 -1.60 0.43 115.31 121.01 1yrl h LEU 229 Ca 0.21 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 1yrl h LEU 229 Cb 0.31 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.99 1yrl h LEU 229 CO -0.00 0.29 -0.22 -0.61 -1.08 0.00 0.00 178.44 176.82 1yrl h GLN 230 N 0.16 -0.54 -0.08 1.13 4.15 -1.09 0.20 115.11 119.04 1yrl h GLN 230 Ca 0.06 0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.56 1yrl h GLN 230 Cb 0.12 0.12 -0.06 0.00 0.21 0.00 0.00 27.48 27.87 1yrl h GLN 230 CO -0.01 -0.36 -0.32 0.00 -1.93 0.00 0.00 178.83 176.22 1yrl h ALA 231 N 0.05 -0.41 -0.62 3.38 0.00 -1.13 -0.97 119.26 119.56 1yrl h ALA 231 Ca -0.04 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1yrl h ALA 231 Cb 0.46 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1yrl h ALA 231 CO 0.05 -0.81 0.34 0.78 0.00 0.00 0.00 179.25 179.61 1yrl h GLY 232 N -0.43 0.90 0.76 0.00 0.00 0.03 0.28 103.07 104.60 1yrl h GLY 232 Ca 0.08 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.20 1yrl h GLY 232 CO -0.32 0.15 0.00 1.76 0.00 0.00 0.00 176.54 178.14 1yrl h SER 233 N 0.64 -0.05 0.01 0.19 0.02 -0.01 0.39 113.55 114.75 1yrl h SER 233 Ca 0.27 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1yrl h SER 233 Cb 0.15 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1yrl h SER 233 CO -0.17 -0.00 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.44 1yrl h LEU 234 N 0.06 -0.02 -0.28 5.07 3.38 -0.76 -0.17 115.31 122.60 1yrl h LEU 234 Ca 0.08 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.82 1yrl h LEU 234 Cb 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1yrl h LEU 234 CO -0.13 0.24 0.11 -0.07 0.09 0.00 0.00 178.44 178.68 1yrl h LEU 235 N -0.27 0.14 -0.35 1.67 3.38 -0.24 -1.91 115.31 117.73 1yrl h LEU 235 Ca -0.00 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1yrl h LEU 235 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1yrl h LEU 235 CO 0.00 0.11 -0.28 0.00 0.09 0.00 0.00 178.44 178.37 1yrl h PHE 237 N 0.59 -0.52 -0.32 0.00 3.57 -0.96 -0.19 116.94 119.11 1yrl h PHE 237 Ca 0.06 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.62 1yrl h PHE 237 Cb 0.85 0.17 -0.07 0.00 2.79 0.00 0.00 35.95 39.69 1yrl h PHE 237 CO 0.06 -0.27 -0.13 -0.44 -2.23 0.00 0.00 178.31 175.30 1yrl h ASP 238 N -0.65 -0.46 -0.21 0.41 3.32 -1.39 -1.10 116.42 116.35 1yrl h ASP 238 Ca -0.06 0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.16 1yrl h ASP 238 Cb 0.48 0.26 -0.05 0.00 0.22 0.00 0.00 39.33 40.24 1yrl h ASP 238 CO 0.09 -0.17 -0.13 0.50 -1.72 0.00 0.00 179.24 177.81 1yrl h LYS 239 N -0.08 -0.12 -0.83 3.56 1.63 -1.15 0.22 116.57 119.81 1yrl h LYS 239 Ca 0.16 0.01 0.18 0.00 -0.85 0.00 0.00 60.65 60.15 1yrl h LYS 239 Cb 0.32 0.03 -0.11 0.00 -0.60 0.00 0.00 32.23 31.87 1yrl h LYS 239 CO -0.38 -0.08 0.34 -0.07 -3.45 0.00 0.00 179.45 175.82 1yrl h LEU 240 N -0.12 0.30 -0.11 5.20 3.38 0.08 0.98 115.31 125.01 1yrl h LEU 240 Ca 0.12 0.13 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 1yrl h LEU 240 Cb 0.30 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1yrl h LEU 240 CO -0.28 0.06 -0.32 0.58 0.09 0.00 0.00 178.44 178.57 1yrl h VAL 241 N 0.43 1.39 -1.00 1.22 2.07 -0.30 -1.38 116.25 118.68 1yrl h VAL 241 Ca 0.48 -1.64 0.09 0.00 0.82 0.00 0.00 66.70 66.45 1yrl h VAL 241 Cb 0.82 2.15 -0.07 0.00 -1.52 0.00 0.00 31.29 32.67 1yrl h VAL 241 CO -0.47 0.48 0.64 -0.08 0.02 0.00 0.00 177.57 178.16 1yrl h GLU 242 N -0.03 1.06 -0.05 1.57 4.81 0.41 -0.57 114.58 121.78 1yrl h GLU 242 Ca -0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1yrl h GLU 242 Cb 0.93 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1yrl h GLU 242 CO 0.07 0.70 0.00 0.39 -0.73 0.00 0.00 179.01 179.44 1yrl n GLU 243 N -4.56 1.14 0.00 1.92 -0.58 0.24 -4.90 120.64 113.91 1yrl n GLU 243 Ca 0.17 -0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 1yrl n GLU 243 Cb 0.25 -1.12 0.00 0.00 -0.57 0.00 0.00 31.44 30.01 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 0.66 3.11 3.43 0.62 0.00 -0.22 -5.07 105.19 107.73 1yrl n GLY 244 Ca 0.05 -1.03 -0.49 0.00 0.00 0.00 0.00 46.02 44.55 1yrl n GLY 244 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1yrl n THR 245 N 0.00 1.74 -1.73 2.61 -1.04 -0.53 -4.80 114.28 110.53 1yrl n THR 245 Ca 0.00 -0.43 -0.42 0.00 -2.04 0.00 0.00 64.05 61.16 1yrl n THR 245 Cb 0.00 -0.10 -0.02 0.00 -1.82 0.00 0.00 70.33 68.39 1yrl n THR 245 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1yrl n ASP 246 N 1.88 3.84 0.01 8.00 2.03 -1.26 -4.26 116.55 126.79 1yrl n ASP 246 Ca 0.18 1.12 -0.10 0.00 0.52 0.00 0.00 54.79 56.51 1yrl n ASP 246 Cb 0.24 -1.58 -0.03 0.00 -0.72 0.00 0.00 41.12 39.02 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 5.39 -0.20 -0.72 -0.67 0.13 -1.94 0.26 132.00 134.25 1yrl h PRO 247 Ca -0.46 0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.79 1yrl h PRO 247 Cb 1.22 0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 1yrl h PRO 247 CO 0.84 -0.14 0.48 0.00 -0.23 0.00 0.00 178.00 178.95 1yrl h ALA 248 N 0.81 1.87 0.10 -0.56 0.00 -1.92 0.17 119.26 119.73 1yrl h ALA 248 Ca 0.08 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.72 1yrl h ALA 248 Cb 0.33 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1yrl h ALA 248 CO -0.22 -0.02 -1.17 -0.92 0.00 0.00 0.00 179.25 176.91 1yrl h TYR 249 N 0.60 0.55 -0.57 0.00 3.20 -1.69 0.62 116.97 119.68 1yrl h TYR 249 Ca 0.33 -0.37 -0.07 0.00 3.14 0.00 0.00 58.73 61.76 1yrl h TYR 249 Cb 0.50 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1yrl h TYR 249 CO -0.00 1.26 0.08 0.00 -1.64 0.00 0.00 178.16 177.86 1yrl h ALA 250 N 0.60 0.76 -0.13 1.82 0.00 0.89 -1.98 119.26 121.23 1yrl h ALA 250 Ca -0.13 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 1yrl h ALA 250 Cb 1.88 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1yrl h ALA 250 CO 0.20 0.52 -0.23 1.05 0.00 0.00 0.00 179.25 180.79 1yrl h GLU 251 N 0.86 0.22 -0.42 0.00 -0.00 -0.79 -2.21 114.58 112.24 1yrl h GLU 251 Ca 0.17 -0.07 -0.11 0.00 -0.00 0.00 0.00 59.36 59.36 1yrl h GLU 251 Cb 0.43 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 29.15 1yrl h GLU 251 CO 0.01 0.45 -0.16 -0.22 -0.00 0.00 0.00 179.01 179.10 1yrl h LYS 252 N 0.20 0.84 -0.64 1.06 1.63 -1.42 0.13 116.57 118.38 1yrl h LYS 252 Ca 0.03 -0.35 0.03 0.00 -0.85 0.00 0.00 60.65 59.51 1yrl h LYS 252 Cb 0.53 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.09 1yrl h LYS 252 CO 0.04 0.98 0.39 1.25 -3.45 0.00 0.00 179.45 178.66 1yrl h LEU 253 N 0.66 0.64 0.08 5.20 6.46 -0.90 -2.47 115.31 124.98 1yrl h LEU 253 Ca 0.10 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1yrl h LEU 253 Cb 0.71 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1yrl h LEU 253 CO 0.05 0.44 -0.04 0.40 -0.62 0.00 0.00 178.44 178.68 1yrl h ILE 254 N 0.77 1.13 -0.65 4.05 1.08 -1.27 0.56 117.51 123.18 1yrl h ILE 254 Ca 0.26 -1.42 0.13 0.00 -0.39 0.00 0.00 64.86 63.44 1yrl h ILE 254 Cb 0.03 1.96 -0.12 0.00 -3.07 0.00 0.00 36.82 35.62 1yrl h ILE 254 CO -0.11 0.32 -0.13 -0.61 -0.69 0.00 0.00 178.15 176.93 1yrl h GLN 255 N -0.83 0.02 -0.03 2.37 4.15 -0.94 -2.49 115.11 117.37 1yrl h GLN 255 Ca -0.01 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1yrl h GLN 255 Cb 0.60 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.29 1yrl h GLN 255 CO 0.02 0.01 -0.05 1.19 -1.93 0.00 0.00 178.83 178.07 1yrl n PHE 256 N -5.41 0.00 0.10 3.99 3.72 -0.94 -3.12 117.46 115.80 1yrl n PHE 256 Ca 0.08 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.35 1yrl n PHE 256 Cb 0.35 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.80 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 4.32 -0.26 0.14 1.37 0.00 -0.39 -2.71 103.07 105.53 1yrl h GLY 257 Ca 0.00 0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.49 1yrl h GLY 257 CO 0.00 -0.10 -0.22 1.49 0.00 0.00 0.00 176.54 177.71 1yrl h TRP 258 N -0.60 -0.59 -0.30 5.60 4.06 -1.80 -1.63 115.95 120.69 1yrl h TRP 258 Ca -0.03 0.04 0.07 0.00 2.06 0.00 0.00 58.89 61.03 1yrl h TRP 258 Cb 0.44 0.30 -0.07 0.00 -1.00 0.00 0.00 29.16 28.83 1yrl h TRP 258 CO 0.03 -0.30 -0.16 1.49 -3.56 0.00 0.00 178.44 175.94 1yrl h GLU 259 N -0.21 -0.12 -0.12 0.49 4.81 -1.79 0.29 114.58 117.93 1yrl h GLU 259 Ca 0.15 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1yrl h GLU 259 Cb 0.44 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1yrl h GLU 259 CO -0.40 -0.08 0.06 1.15 -0.73 0.00 0.00 179.01 179.01 1yrl h THR 260 N -0.13 1.00 -0.03 0.32 2.02 -1.05 -1.51 112.91 113.53 1yrl h THR 260 Ca 0.16 -0.04 -0.16 0.00 0.77 0.00 0.00 66.41 67.14 1yrl h THR 260 Cb 0.37 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1yrl h THR 260 CO -0.38 0.02 -0.68 0.16 0.37 0.00 0.00 175.52 175.01 1yrl h ILE 261 N 0.13 1.44 0.00 3.11 3.07 -1.06 -2.97 117.51 121.23 1yrl h ILE 261 Ca 0.05 -2.21 0.00 0.00 1.55 0.00 0.00 64.86 64.25 1yrl h ILE 261 Cb 0.01 2.17 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 1yrl h ILE 261 CO -0.04 0.64 0.00 0.71 -1.05 0.00 0.00 178.15 178.42 1yrl h THR 262 N 0.11 0.00 -0.72 0.16 1.35 -0.28 -2.63 112.91 110.90 1yrl h THR 262 Ca -0.01 -0.59 -0.04 0.00 -0.55 0.00 0.00 66.41 65.21 1yrl h THR 262 Cb 1.22 1.55 -0.03 0.00 -1.73 0.00 0.00 68.15 69.15 1yrl h THR 262 CO 0.10 0.00 0.31 -0.08 -0.25 0.00 0.00 175.52 175.60 1yrl h GLU 263 N 0.00 1.06 -0.45 4.72 4.57 -1.10 0.33 114.58 123.72 1yrl h GLU 263 Ca 0.00 -0.18 -0.06 0.00 -1.18 0.00 0.00 59.36 57.94 1yrl h GLU 263 Cb 0.65 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 1yrl h GLU 263 CO 0.00 0.86 0.04 0.00 -1.18 0.00 0.00 179.01 178.73 1yrl h ALA 264 N 1.15 0.60 -0.79 2.92 0.00 -1.56 -1.35 119.26 120.23 1yrl h ALA 264 Ca 0.24 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1yrl h ALA 264 Cb 0.18 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1yrl h ALA 264 CO -0.02 0.35 0.48 1.25 0.00 0.00 0.00 179.25 181.30 1yrl h LEU 265 N 0.61 0.74 -0.19 0.00 5.85 -1.03 0.36 115.31 121.64 1yrl h LEU 265 Ca 0.13 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1yrl h LEU 265 Cb 0.43 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1yrl h LEU 265 CO 0.01 0.47 0.12 0.50 -0.34 0.00 0.00 178.44 179.21 1yrl h LYS 266 N 0.87 0.26 -0.14 1.25 3.64 0.14 0.85 116.57 123.43 1yrl h LYS 266 Ca 0.35 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.58 1yrl h LYS 266 Cb 0.17 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1yrl h LYS 266 CO -0.17 0.19 -0.47 1.96 -2.27 0.00 0.00 179.45 178.69 1yrl h GLN 267 N 0.24 0.35 -0.18 1.90 1.08 -0.72 -3.39 115.11 114.40 1yrl h GLN 267 Ca 0.07 -0.19 -0.20 0.00 -1.45 0.00 0.00 58.65 56.88 1yrl h GLN 267 Cb -0.00 0.01 -0.29 0.00 -0.05 0.00 0.00 27.48 27.14 1yrl h GLN 267 CO -0.01 0.75 -0.75 0.41 -0.95 0.00 0.00 178.83 178.27 1yrl n GLY 268 N 0.01 1.58 7.00 3.46 0.00 0.07 -5.07 105.19 112.24 1yrl n GLY 268 Ca -0.02 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.63 -0.32 0.31 -0.02 0.00 0.29 -2.26 105.19 102.55 1yrl n GLY 269 Ca -0.05 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 1.19 -0.24 -0.61 2.04 -1.92 -2.93 117.51 115.04 1yrl h ILE 270 Ca 0.00 -0.56 0.06 0.00 1.00 0.00 0.00 64.86 65.36 1yrl h ILE 270 Cb 0.00 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 1yrl h ILE 270 CO 0.00 0.22 -0.18 0.74 0.00 0.00 0.00 178.15 178.93 1yrl h THR 271 N 0.73 0.49 -0.48 -0.27 2.02 -1.89 -1.08 112.91 112.44 1yrl h THR 271 Ca 0.18 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.27 1yrl h THR 271 Cb 0.13 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1yrl h THR 271 CO -0.02 0.00 -0.03 0.25 0.37 0.00 0.00 175.52 176.09 1yrl h LEU 272 N -0.18 0.86 -0.14 2.58 5.85 -1.31 -1.50 115.31 121.47 1yrl h LEU 272 Ca 0.14 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.57 1yrl h LEU 272 Cb 0.39 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1yrl h LEU 272 CO -0.35 0.98 -0.10 -0.03 -0.34 0.00 0.00 178.44 178.60 1yrl h MET 273 N 0.72 -0.10 -0.75 1.25 4.05 -1.30 -1.42 114.93 117.36 1yrl h MET 273 Ca 0.13 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.53 1yrl h MET 273 Cb 0.56 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.35 1yrl h MET 273 CO 0.03 -0.07 0.36 0.52 0.23 0.00 0.00 176.91 177.98 1yrl h MET 274 N -0.11 1.08 0.00 0.39 2.86 -1.14 -2.68 114.93 115.33 1yrl h MET 274 Ca 0.09 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1yrl h MET 274 Cb 0.24 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 1yrl h MET 274 CO -0.21 0.83 -0.07 -0.44 1.06 0.00 0.00 176.91 178.09 1yrl h ASP 275 N 1.07 0.00 0.30 1.22 3.45 -0.24 -1.81 116.42 120.42 1yrl h ASP 275 Ca 0.26 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.69 1yrl h ASP 275 Cb 0.11 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.87 1yrl h ASP 275 CO -0.03 0.07 -0.15 0.03 -1.57 0.00 0.00 179.24 177.59 1yrl h ARG 276 N 0.00 0.00 -7.25 3.56 2.47 -1.00 -3.44 114.38 108.73 1yrl h ARG 276 Ca -0.00 0.00 -0.49 0.00 -1.26 0.00 0.00 59.98 58.23 1yrl h ARG 276 Cb 0.20 0.00 0.05 0.00 -1.65 0.00 0.00 29.97 28.57 1yrl h ARG 276 CO 0.01 0.15 0.38 -0.51 0.56 0.00 0.00 179.97 180.56 1yrl s LEU 277 N -7.74 3.43 0.48 3.04 1.43 -0.68 -4.99 118.68 113.67 1yrl s LEU 277 Ca -0.03 1.63 -0.21 0.00 -1.03 0.00 0.00 54.13 54.49 1yrl s LEU 277 Cb 0.14 -4.51 -0.08 0.00 0.03 0.00 0.00 46.19 41.78 1yrl s LEU 277 CO 0.62 -0.96 1.08 -0.94 0.23 0.00 0.00 176.35 176.38 1yrl s SER 278 N -3.30 6.23 0.07 2.29 1.04 -1.26 -4.64 113.70 114.13 1yrl s SER 278 Ca 0.60 2.06 -0.14 0.00 0.48 0.00 0.00 55.95 58.94 1yrl s SER 278 Cb -0.13 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.38 1yrl s SER 278 CO 0.41 -0.86 1.25 0.78 0.98 0.00 0.00 173.24 175.80 1yrl h ASN 279 N 1.68 -1.00 -0.49 7.02 2.35 -1.94 0.78 115.58 123.98 1yrl h ASN 279 Ca -0.49 0.15 0.14 0.00 -0.55 0.00 0.00 56.30 55.55 1yrl h ASN 279 Cb 1.23 0.44 -0.02 0.00 0.05 0.00 0.00 38.32 40.02 1yrl h ASN 279 CO 0.59 -0.11 0.35 1.55 -1.65 0.00 0.00 177.43 178.16 1yrl h PRO 280 N -0.01 0.02 -0.13 0.81 0.13 -1.87 -0.03 132.00 130.91 1yrl h PRO 280 Ca 0.07 -0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.06 1yrl h PRO 280 Cb 0.20 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.33 1yrl h PRO 280 CO -0.43 0.01 -0.48 0.00 -0.23 0.00 0.00 178.00 176.87 1yrl h ALA 281 N 1.75 0.24 0.13 -0.56 0.00 -0.57 -2.91 119.26 117.34 1yrl h ALA 281 Ca 0.23 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1yrl h ALA 281 Cb 0.91 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1yrl h ALA 281 CO -0.01 0.40 -0.27 -0.22 0.00 0.00 0.00 179.25 179.15 1yrl h LYS 282 N 0.19 -0.48 -0.71 0.00 3.64 0.22 -0.44 116.57 119.00 1yrl h LYS 282 Ca -0.02 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.49 1yrl h LYS 282 Cb 1.11 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 32.96 1yrl h LYS 282 CO 0.10 -0.32 0.33 -0.07 -2.27 0.00 0.00 179.45 177.22 1yrl h LEU 283 N -0.50 0.40 -0.38 5.20 3.38 -1.37 0.33 115.31 122.37 1yrl h LEU 283 Ca 0.03 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1yrl h LEU 283 Cb 0.52 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1yrl h LEU 283 CO -0.15 0.22 0.21 -0.09 0.09 0.00 0.00 178.44 178.72 1yrl h ARG 284 N 0.55 0.54 -0.35 1.13 9.65 -1.25 0.81 114.38 125.45 1yrl h ARG 284 Ca 0.36 -0.06 0.04 0.00 -1.10 0.00 0.00 59.98 59.21 1yrl h ARG 284 Cb 0.42 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.86 1yrl h ARG 284 CO -0.30 0.44 0.14 0.00 2.80 0.00 0.00 179.97 183.05 1yrl h ALA 285 N 1.07 0.42 0.10 2.80 0.00 0.22 0.18 119.26 124.04 1yrl h ALA 285 Ca 0.13 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1yrl h ALA 285 Cb 0.06 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1yrl h ALA 285 CO -0.02 -0.25 -0.31 -0.92 0.00 0.00 0.00 179.25 177.75 1yrl h TYR 286 N 0.30 -0.85 -0.38 0.00 3.20 0.18 -0.33 116.97 119.09 1yrl h TYR 286 Ca 0.16 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.13 1yrl h TYR 286 Cb 0.11 0.36 -0.08 0.00 1.54 0.00 0.00 36.73 38.66 1yrl h TYR 286 CO -0.13 -0.42 -0.18 0.00 -1.64 0.00 0.00 178.16 175.80 1yrl h ALA 287 N 0.16 0.11 -0.82 1.82 0.00 -0.18 -1.45 119.26 118.90 1yrl h ALA 287 Ca 0.04 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1yrl h ALA 287 Cb 0.56 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 1yrl h ALA 287 CO -0.20 -0.55 0.51 -0.07 0.00 0.00 0.00 179.25 178.95 1yrl h LEU 288 N -0.11 0.82 -0.79 0.00 3.38 -0.28 -1.75 115.31 116.59 1yrl h LEU 288 Ca 0.19 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 1yrl h LEU 288 Cb 0.40 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1yrl h LEU 288 CO -0.45 0.55 0.08 0.77 0.09 0.00 0.00 178.44 179.48 1yrl h SER 289 N 0.96 0.95 -0.59 -0.43 4.64 -0.31 0.67 113.55 119.46 1yrl h SER 289 Ca 0.35 -0.22 -0.10 0.00 -0.47 0.00 0.00 61.79 61.35 1yrl h SER 289 Cb 0.10 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 1yrl h SER 289 CO -0.15 0.97 -0.00 -0.33 -0.87 0.00 0.00 176.83 176.45 1yrl h GLU 290 N 0.93 1.05 -0.39 4.77 4.39 -0.81 0.62 114.58 125.15 1yrl h GLU 290 Ca 0.19 -0.33 -0.09 0.00 0.34 0.00 0.00 59.36 59.46 1yrl h GLU 290 Cb 0.43 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1yrl h GLU 290 CO 0.01 1.03 -0.14 1.96 -1.16 0.00 0.00 179.01 180.71 1yrl h GLN 291 N 0.96 0.71 -0.53 2.33 4.20 -0.97 -2.44 115.11 119.37 1yrl h GLN 291 Ca 0.17 -0.24 -0.11 0.00 0.06 0.00 0.00 58.65 58.53 1yrl h GLN 291 Cb 0.56 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 1yrl h GLN 291 CO 0.03 0.82 -0.12 -0.07 -0.67 0.00 0.00 178.83 178.82 1yrl h LEU 292 N 0.64 1.01 -1.34 1.46 4.07 -0.34 -2.39 115.31 118.42 1yrl h LEU 292 Ca 0.11 -0.34 -0.05 0.00 0.08 0.00 0.00 57.88 57.68 1yrl h LEU 292 Cb 0.60 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1yrl h LEU 292 CO 0.04 1.12 -0.24 0.11 -1.08 0.00 0.00 178.44 178.39 1yrl h LYS 293 N 0.89 0.00 -0.03 1.13 1.57 -0.62 -0.30 116.57 119.20 1yrl h LYS 293 Ca 0.14 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.69 1yrl h LYS 293 Cb 0.68 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.01 1yrl h LYS 293 CO 0.05 0.24 -0.85 1.49 -0.57 0.00 0.00 179.45 179.81 1yrl h GLU 294 N 0.00 0.64 -0.13 3.15 4.81 -1.20 -2.42 114.58 119.43 1yrl h GLU 294 Ca -0.00 -0.64 -0.08 0.00 -0.13 0.00 0.00 59.36 58.51 1yrl h GLU 294 Cb 0.64 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1yrl h GLU 294 CO 0.03 1.24 -0.23 0.82 -0.73 0.00 0.00 179.01 180.14 1yrl h ILE 295 N 0.28 1.37 0.00 2.32 2.04 -1.11 -3.33 117.51 119.08 1yrl h ILE 295 Ca -0.10 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.27 1yrl h ILE 295 Cb 1.51 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.63 1yrl h ILE 295 CO 0.17 0.44 -0.15 0.23 0.00 0.00 0.00 178.15 178.84 1yrl n MET 296 N -4.47 0.16 -0.35 2.37 2.81 -0.15 -4.21 117.12 113.27 1yrl n MET 296 Ca -0.07 0.11 0.13 0.00 -1.81 0.00 0.00 57.70 56.05 1yrl n MET 296 Cb 0.43 -1.66 0.32 0.00 -0.71 0.00 0.00 33.22 31.60 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 2.72 1.67 -0.17 3.04 0.00 -1.54 0.12 119.26 125.10 1yrl h ALA 297 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1yrl h ALA 297 Cb 0.64 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1yrl h ALA 297 CO 0.00 -0.04 -0.11 -1.00 0.00 0.00 0.00 179.25 178.11 1yrl h PRO 298 N 0.78 0.37 -0.73 0.00 0.13 -1.82 -1.43 132.00 129.29 1yrl h PRO 298 Ca 0.57 -0.17 -0.00 0.00 -0.87 0.00 0.00 66.00 65.52 1yrl h PRO 298 Cb 0.87 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.96 1yrl h PRO 298 CO -0.37 0.70 0.44 1.25 -0.23 0.00 0.00 178.00 179.79 1yrl h LEU 299 N 0.04 0.88 -0.49 1.56 5.85 -1.60 0.15 115.31 121.70 1yrl h LEU 299 Ca 0.04 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1yrl h LEU 299 Cb 0.60 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1yrl h LEU 299 CO 0.03 0.68 0.31 -0.26 -0.34 0.00 0.00 178.44 178.86 1yrl h PHE 300 N 1.00 0.59 -0.47 1.25 -1.00 -0.79 -1.98 116.94 115.54 1yrl h PHE 300 Ca 0.26 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 61.03 1yrl h PHE 300 Cb -0.03 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.31 1yrl h PHE 300 CO -0.01 0.36 0.20 1.96 -1.61 0.00 0.00 178.31 179.21 1yrl h GLN 301 N 0.63 0.69 -0.53 1.51 4.20 -0.64 -1.99 115.11 118.98 1yrl h GLN 301 Ca 0.19 -0.12 0.07 0.00 0.06 0.00 0.00 58.65 58.85 1yrl h GLN 301 Cb -0.03 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 27.57 1yrl h GLN 301 CO -0.06 0.61 0.21 -0.22 -0.67 0.00 0.00 178.83 178.70 1yrl h LYS 302 N 0.61 0.39 -0.38 1.46 3.64 -0.34 0.49 116.57 122.44 1yrl h LYS 302 Ca 0.16 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1yrl h LYS 302 Cb 0.17 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1yrl h LYS 302 CO -0.02 0.25 0.18 0.45 -2.27 0.00 0.00 179.45 178.05 1yrl h HIS 303 N 0.40 0.54 -0.48 1.91 3.86 -1.12 0.29 115.15 120.55 1yrl h HIS 303 Ca 0.26 -0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.39 1yrl h HIS 303 Cb 0.27 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 1yrl h HIS 303 CO -0.15 0.45 0.10 1.98 0.86 0.00 0.00 177.93 181.17 1yrl h MET 304 N 0.47 0.79 -0.14 2.45 1.85 -0.69 -0.22 114.93 119.44 1yrl h MET 304 Ca 0.13 -0.20 -0.00 0.00 -0.61 0.00 0.00 59.70 59.02 1yrl h MET 304 Cb 0.11 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.04 1yrl h MET 304 CO -0.02 0.78 0.07 -0.44 -0.40 0.00 0.00 176.91 176.91 1yrl h ASP 305 N 0.66 0.17 0.06 1.39 3.32 0.24 0.13 116.42 122.39 1yrl h ASP 305 Ca 0.15 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1yrl h ASP 305 Cb 0.36 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1yrl h ASP 305 CO 0.01 0.21 -0.07 0.44 -1.72 0.00 0.00 179.24 178.11 1yrl h ASP 306 N 0.12 0.05 -0.09 6.45 5.19 -0.26 0.11 116.42 127.97 1yrl h ASP 306 Ca 0.05 -0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.30 1yrl h ASP 306 Cb 0.08 -0.01 0.01 0.00 0.18 0.00 0.00 39.33 39.59 1yrl h ASP 306 CO -0.01 0.13 -0.53 0.40 -3.12 0.00 0.00 179.24 176.12 1yrl h ILE 307 N 0.05 1.37 -0.49 0.35 2.04 -0.50 -0.07 117.51 120.26 1yrl h ILE 307 Ca 0.01 -1.86 -0.05 0.00 1.00 0.00 0.00 64.86 63.96 1yrl h ILE 307 Cb 0.17 2.22 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 1yrl h ILE 307 CO 0.01 0.56 0.10 0.40 0.00 0.00 0.00 178.15 179.21 1yrl h ILE 308 N 0.12 1.25 0.00 -0.67 1.08 -0.39 -3.16 117.51 115.74 1yrl h ILE 308 Ca -0.04 -0.89 0.00 0.00 -0.39 0.00 0.00 64.86 63.54 1yrl h ILE 308 Cb 1.18 0.88 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 1yrl h ILE 308 CO 0.11 0.32 0.00 -1.54 -0.69 0.00 0.00 178.15 176.35 1yrl n SER 309 N -4.44 0.00 0.00 1.72 3.41 0.32 -4.89 113.62 109.75 1yrl n SER 309 Ca 0.01 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1yrl n SER 309 Cb 0.24 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 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 1.10 0.88 0.16 5.00 0.00 -1.01 -4.87 105.19 106.46 1yrl n GLY 310 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 3.22 0.00 -0.01 1.61 4.57 -1.60 -1.06 114.58 121.31 1yrl h GLU 311 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1yrl h GLU 311 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1yrl h GLU 311 CO 0.00 0.48 -0.10 0.35 -1.18 0.00 0.00 179.01 178.56 1yrl h PHE 312 N 0.00 0.12 -0.30 0.92 3.57 -1.36 -1.54 116.94 118.35 1yrl h PHE 312 Ca -0.00 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1yrl h PHE 312 Cb 0.86 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 1yrl h PHE 312 CO 0.00 0.81 0.12 0.66 -2.23 0.00 0.00 178.31 177.67 1yrl h SER 313 N -0.62 0.41 -0.58 0.41 4.64 -1.80 0.41 113.55 116.43 1yrl h SER 313 Ca -0.01 -0.16 0.10 0.00 -0.47 0.00 0.00 61.79 61.25 1yrl h SER 313 Cb 0.84 -0.11 -0.08 0.00 -0.31 0.00 0.00 62.40 62.74 1yrl h SER 313 CO 0.02 0.46 0.15 -1.28 -0.87 0.00 0.00 176.83 175.32 1yrl h SER 314 N 0.34 0.07 -0.09 4.97 0.87 -1.28 0.38 113.55 118.80 1yrl h SER 314 Ca 0.10 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1yrl h SER 314 Cb 0.18 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1yrl h SER 314 CO -0.01 0.05 0.05 1.23 -0.53 0.00 0.00 176.83 177.62 1yrl h GLY 315 N 0.30 0.14 1.77 5.77 0.00 -0.61 -1.33 103.07 109.10 1yrl h GLY 315 Ca 0.30 -0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.49 1yrl h GLY 315 CO -0.36 0.06 -0.28 1.98 0.00 0.00 0.00 176.54 177.94 1yrl h MET 316 N 0.06 0.27 -0.16 4.80 -1.53 -0.12 -1.55 114.93 116.69 1yrl h MET 316 Ca 0.03 -0.10 -0.09 0.00 -3.44 0.00 0.00 59.70 56.10 1yrl h MET 316 Cb 0.07 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.09 1yrl h MET 316 CO -0.01 0.53 -0.30 0.52 0.14 0.00 0.00 176.91 177.80 1yrl h MET 317 N 0.24 0.32 -0.84 0.39 2.86 -0.05 -0.50 114.93 117.35 1yrl h MET 317 Ca 0.04 -0.12 0.05 0.00 -2.06 0.00 0.00 59.70 57.60 1yrl h MET 317 Cb 0.62 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.21 1yrl h MET 317 CO 0.04 0.59 0.55 0.00 1.06 0.00 0.00 176.91 179.16 1yrl h ALA 318 N 1.41 1.52 -0.10 6.32 0.00 -0.22 -1.31 119.26 126.89 1yrl h ALA 318 Ca 0.04 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1yrl h ALA 318 Cb 0.68 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1yrl h ALA 318 CO 0.05 0.38 -0.67 0.22 0.00 0.00 0.00 179.25 179.23 1yrl h ASP 319 N 1.00 0.47 -0.51 0.00 3.58 -0.98 -2.90 116.42 117.07 1yrl h ASP 319 Ca 0.34 -0.29 0.06 0.00 0.42 0.00 0.00 57.03 57.56 1yrl h ASP 319 Cb 0.10 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 40.96 1yrl h ASP 319 CO -0.11 1.01 0.23 -0.50 -2.88 0.00 0.00 179.24 176.99 1yrl h TRP 320 N 0.29 0.41 0.00 0.28 6.55 0.00 0.33 115.95 123.82 1yrl h TRP 320 Ca -0.02 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1yrl h TRP 320 Cb 1.23 -0.11 0.00 0.00 -0.86 0.00 0.00 29.16 29.42 1yrl h TRP 320 CO 0.04 0.17 0.00 0.00 -1.05 0.00 0.00 178.44 177.60 1yrl n ALA 321 N -2.37 2.56 -1.39 1.49 0.00 -0.86 -3.09 120.51 116.86 1yrl n ALA 321 Ca 0.05 -0.12 0.05 0.00 0.00 0.00 0.00 53.44 53.42 1yrl n ALA 321 Cb 0.17 -1.32 0.19 0.00 0.00 0.00 0.00 19.45 18.49 1yrl n ALA 321 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1yrl n ASN 322 N -0.83 2.20 -3.07 0.00 4.05 -0.04 -4.95 115.26 112.62 1yrl n ASN 322 Ca 0.15 -3.60 -0.22 0.00 0.45 0.00 0.00 54.58 51.36 1yrl n ASN 322 Cb 0.07 -0.53 0.05 0.00 1.23 0.00 0.00 39.78 40.60 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 -1.16 -6.07 -2.55 1.20 10.43 -1.18 -2.74 116.55 114.49 1yrl n ASP 323 Ca 0.21 -0.35 -0.14 0.00 2.57 0.00 0.00 54.79 57.09 1yrl n ASP 323 Cb 0.76 -4.84 -0.00 0.00 1.84 0.00 0.00 41.12 38.88 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 -2.50 -3.93 -0.14 -2.24 8.00 -0.32 -4.89 116.55 110.53 1yrl n ASP 324 Ca -0.08 0.13 -0.10 0.00 0.71 0.00 0.00 54.79 55.45 1yrl n ASP 324 Cb 0.60 -3.33 -0.07 0.00 -0.02 0.00 0.00 41.12 38.30 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 -0.13 -0.24 -0.90 -1.24 1.63 -1.69 0.85 116.57 114.84 1yrl h LYS 325 Ca -0.31 0.02 0.07 0.00 -0.85 0.00 0.00 60.65 59.57 1yrl h LYS 325 Cb 1.23 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 32.85 1yrl h LYS 325 CO 0.37 -0.16 0.57 0.87 -3.45 0.00 0.00 179.45 177.64 1yrl h LYS 326 N -0.25 0.99 -0.17 1.90 1.57 -1.90 0.22 116.57 118.94 1yrl h LYS 326 Ca 0.07 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1yrl h LYS 326 Cb 0.42 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1yrl h LYS 326 CO -0.49 0.66 0.06 1.25 -0.57 0.00 0.00 179.45 180.36 1yrl h LEU 327 N 1.02 0.24 -0.36 2.94 7.12 -1.80 -1.53 115.31 122.94 1yrl h LEU 327 Ca 0.40 -0.18 -0.18 0.00 0.13 0.00 0.00 57.88 58.04 1yrl h LEU 327 Cb 0.19 -0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 40.26 1yrl h LEU 327 CO -0.18 0.36 -0.62 -0.07 -0.13 0.00 0.00 178.44 177.80 1yrl h LEU 328 N 0.11 0.78 -0.38 2.25 3.38 -0.51 -0.87 115.31 120.07 1yrl h LEU 328 Ca 0.06 -0.45 -0.11 0.00 0.09 0.00 0.00 57.88 57.47 1yrl h LEU 328 Cb 0.20 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1yrl h LEU 328 CO -0.00 1.21 -0.20 0.71 0.09 0.00 0.00 178.44 180.25 1yrl h THR 329 N 0.51 1.28 -0.24 0.22 1.35 -0.57 -1.05 112.91 114.41 1yrl h THR 329 Ca -0.01 -1.34 -0.08 0.00 -0.55 0.00 0.00 66.41 64.44 1yrl h THR 329 Cb 1.20 1.33 -0.01 0.00 -1.73 0.00 0.00 68.15 68.94 1yrl h THR 329 CO 0.12 0.44 -0.18 -0.50 -0.25 0.00 0.00 175.52 175.16 1yrl h TRP 330 N 0.60 0.45 -0.16 4.73 6.55 -1.26 -1.04 115.95 125.83 1yrl h TRP 330 Ca 0.08 -0.08 -0.02 0.00 0.95 0.00 0.00 58.89 59.83 1yrl h TRP 330 Cb 0.75 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 28.93 1yrl h TRP 330 CO 0.06 0.58 0.03 -0.09 -1.05 0.00 0.00 178.44 177.97 1yrl h ARG 331 N 0.38 0.26 -0.70 0.49 2.43 -0.89 -0.91 114.38 115.45 1yrl h ARG 331 Ca 0.07 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1yrl h ARG 331 Cb 0.54 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 1yrl h ARG 331 CO 0.04 0.44 0.24 1.49 -1.51 0.00 0.00 179.97 180.67 1yrl h GLU 332 N 0.04 1.07 -0.09 0.20 4.81 -0.96 -1.95 114.58 117.70 1yrl h GLU 332 Ca 0.05 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1yrl h GLU 332 Cb 0.30 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1yrl h GLU 332 CO 0.00 0.91 0.01 0.93 -0.73 0.00 0.00 179.01 180.13 1yrl h GLU 333 N 1.02 0.16 -0.38 1.92 5.08 -1.09 -2.58 114.58 118.69 1yrl h GLU 333 Ca 0.23 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.61 1yrl h GLU 333 Cb 0.26 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1yrl h GLU 333 CO -0.01 0.37 0.26 0.00 -1.00 0.00 0.00 179.01 178.63 1yrl h THR 334 N -0.08 0.92 0.00 1.13 1.03 -1.07 0.30 112.91 115.14 1yrl h THR 334 Ca 0.03 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 66.35 1yrl h THR 334 Cb 0.29 0.68 0.00 0.00 -1.07 0.00 0.00 68.15 68.05 1yrl h THR 334 CO 0.00 0.04 0.00 0.61 -0.01 0.00 0.00 175.52 176.16 1yrl n GLY 335 N -1.55 -1.16 0.89 2.99 0.00 -0.74 -2.57 105.19 103.05 1yrl n GLY 335 Ca 0.05 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.44 2.10 -2.28 1.61 5.02 0.09 -4.72 118.16 118.55 1yrl n LYS 336 Ca 0.07 -1.96 -0.36 0.00 -2.02 0.00 0.00 58.31 54.04 1yrl n LYS 336 Cb 0.23 -1.40 -0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1yrl n LYS 336 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1yrl s THR 337 N -1.32 3.18 0.18 -0.18 -4.23 -1.06 -4.89 115.64 107.31 1yrl s THR 337 Ca 0.29 0.79 -0.19 0.00 -1.18 0.00 0.00 61.69 61.40 1yrl s THR 337 Cb 0.18 -3.36 0.12 0.00 1.34 0.00 0.00 72.50 70.78 1yrl s THR 337 CO 0.25 -0.10 1.61 0.00 -0.54 0.00 0.00 174.62 175.84 1yrl h ALA 338 N 1.57 0.05 -0.69 3.99 0.00 -1.94 -1.03 119.26 121.21 1yrl h ALA 338 Ca -0.50 0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.67 1yrl h ALA 338 Cb 1.25 0.59 -0.08 0.00 0.00 0.00 0.00 17.79 19.56 1yrl h ALA 338 CO 0.58 -0.61 0.30 0.35 0.00 0.00 0.00 179.25 179.88 1yrl h PHE 339 N -0.15 0.52 0.00 0.00 3.04 -1.94 1.08 116.94 119.49 1yrl h PHE 339 Ca 0.21 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.19 1yrl h PHE 339 Cb 0.49 -0.13 -0.00 0.00 2.56 0.00 0.00 35.95 38.87 1yrl h PHE 339 CO -0.51 0.14 -0.02 0.93 -2.02 0.00 0.00 178.31 176.83 1yrl h GLU 340 N 0.49 0.00 0.00 1.11 4.39 -1.50 -3.07 114.58 116.01 1yrl h GLU 340 Ca 0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 1yrl h GLU 340 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1yrl h GLU 340 CO -0.32 0.02 -0.73 0.25 -1.16 0.00 0.00 179.01 177.08 1yrl n THR 341 N -3.16 0.00 -1.64 1.13 -2.24 -0.53 -5.00 114.28 102.84 1yrl n THR 341 Ca -0.01 -0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 61.09 1yrl n THR 341 Cb 0.23 0.73 0.01 0.00 -2.10 0.00 0.00 70.33 69.20 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 -1.40 0.58 -1.70 6.98 0.00 0.36 -4.93 120.51 120.41 1yrl n ALA 342 Ca 0.00 0.24 -0.34 0.00 0.00 0.00 0.00 53.44 53.34 1yrl n ALA 342 Cb 0.14 -2.15 0.01 0.00 0.00 0.00 0.00 19.45 17.44 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 -2.11 3.33 -0.11 0.00 0.04 -1.26 -4.99 135.00 129.90 1yrl s PRO 343 Ca 0.63 1.43 -0.13 0.00 0.04 0.00 0.00 61.00 62.97 1yrl s PRO 343 Cb -0.54 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 31.94 1yrl s PRO 343 CO 0.57 -0.83 0.31 -1.14 0.04 0.00 0.00 177.00 175.94 1yrl s GLN 344 N -3.60 4.03 0.17 4.56 0.74 -1.26 -3.92 119.66 120.37 1yrl s GLN 344 Ca 0.69 0.16 -0.33 0.00 0.05 0.00 0.00 55.36 55.92 1yrl s GLN 344 Cb -0.20 -3.33 -0.15 0.00 1.10 0.00 0.00 33.01 30.43 1yrl s GLN 344 CO 0.30 0.45 1.33 0.98 -0.55 0.00 0.00 175.29 177.81 1yrl n TYR 345 N 2.82 1.72 -0.03 1.67 -0.00 0.22 -4.92 117.16 118.63 1yrl n TYR 345 Ca -0.14 0.54 -0.14 0.00 -0.00 0.00 0.00 57.90 58.17 1yrl n TYR 345 Cb 0.52 -2.38 -0.11 0.00 -0.00 0.00 0.00 39.34 37.38 1yrl n TYR 345 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 1yrl h GLU 346 N 4.26 0.06 0.00 2.98 4.57 -1.96 -3.47 114.58 121.03 1yrl h GLU 346 Ca -0.45 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1yrl h GLU 346 Cb 1.31 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 1yrl h GLU 346 CO 0.76 0.69 0.00 0.41 -1.18 0.00 0.00 179.01 179.69 1yrl n GLY 347 N 0.65 -3.47 3.54 1.92 0.00 -1.26 -5.05 105.19 101.52 1yrl n GLY 347 Ca -0.09 -1.24 -0.26 0.00 0.00 0.00 0.00 46.02 44.43 1yrl n GLY 347 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yrl s LYS 348 N -1.83 1.95 -0.09 1.61 2.47 -1.26 -5.13 119.74 117.46 1yrl s LYS 348 Ca 0.00 -1.35 0.02 0.00 -1.56 0.00 0.00 55.97 53.08 1yrl s LYS 348 Cb 0.00 -2.08 0.02 0.00 -1.46 0.00 0.00 37.83 34.30 1yrl s LYS 348 CO 0.00 0.42 -0.13 0.42 0.16 0.00 0.00 175.35 176.22 1yrl s ILE 349 N -1.77 1.29 0.63 5.43 1.01 -1.26 -5.13 121.20 121.39 1yrl s ILE 349 Ca 0.25 -0.53 -0.15 0.00 0.00 0.00 0.00 60.65 60.21 1yrl s ILE 349 Cb -0.08 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 1yrl s ILE 349 CO 0.14 0.40 1.09 -0.83 0.00 0.00 0.00 174.94 175.74 1yrl s GLY 350 N 0.97 2.15 0.16 6.18 0.00 -1.26 -4.94 107.32 110.58 1yrl s GLY 350 Ca -0.08 0.48 -0.21 0.00 0.00 0.00 0.00 44.72 44.92 1yrl s GLY 350 CO -0.00 0.82 1.63 -2.09 0.00 0.00 0.00 173.10 173.46 1yrl h GLU 351 N 0.24 -0.17 0.00 2.90 4.81 -2.02 -0.84 114.58 119.50 1yrl h GLU 351 Ca -0.47 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1yrl h GLU 351 Cb 1.23 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 1yrl h GLU 351 CO 0.56 -0.11 -0.03 0.37 -0.73 0.00 0.00 179.01 179.06 1yrl h GLN 352 N -0.18 0.00 -0.55 1.92 5.75 -2.01 -2.43 115.11 117.62 1yrl h GLN 352 Ca 0.17 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.56 1yrl h GLN 352 Cb 0.45 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.98 1yrl h GLN 352 CO -0.45 0.03 -0.10 0.93 -2.65 0.00 0.00 178.83 176.60 1yrl h GLU 353 N 0.00 1.03 -0.61 1.69 5.08 -1.51 -0.10 114.58 120.16 1yrl h GLU 353 Ca -0.00 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1yrl h GLU 353 Cb 0.18 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1yrl h GLU 353 CO 0.00 1.07 0.40 1.88 -1.00 0.00 0.00 179.01 181.36 1yrl h TYR 354 N 0.91 0.74 0.28 4.33 -1.99 -1.37 0.48 116.97 120.36 1yrl h TYR 354 Ca 0.14 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.88 1yrl h TYR 354 Cb 0.67 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 39.15 1yrl h TYR 354 CO 0.05 0.46 -0.14 0.74 -0.00 0.00 0.00 178.16 179.27 1yrl h PHE 355 N 0.79 -0.35 -0.43 4.88 -1.00 -1.49 -2.23 116.94 117.11 1yrl h PHE 355 Ca 0.23 -0.01 0.06 0.00 2.81 0.00 0.00 57.97 61.06 1yrl h PHE 355 Cb -0.04 0.12 -0.05 0.00 3.61 0.00 0.00 35.95 39.58 1yrl h PHE 355 CO -0.00 -0.11 0.14 -0.44 -1.61 0.00 0.00 178.31 176.29 1yrl h ASP 356 N -1.04 0.13 -0.08 2.17 3.32 -0.87 -1.28 116.42 118.77 1yrl h ASP 356 Ca -0.04 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1yrl h ASP 356 Cb 0.41 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1yrl h ASP 356 CO 0.06 0.11 0.00 0.29 -1.72 0.00 0.00 179.24 177.98 1yrl n LYS 357 N -5.03 1.30 -0.93 3.56 5.02 0.17 -3.84 118.16 118.41 1yrl n LYS 357 Ca 0.03 -0.46 0.03 0.00 -2.02 0.00 0.00 58.31 55.90 1yrl n LYS 357 Cb 0.17 -1.31 0.16 0.00 -0.02 0.00 0.00 35.03 34.03 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 0.91 4.40 0.27 0.72 0.00 -0.49 -0.62 105.19 110.38 1yrl n GLY 358 Ca 0.14 -1.33 0.05 0.00 0.00 0.00 0.00 46.02 44.87 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 2.32 0.36 -0.69 1.61 2.07 -1.51 0.14 116.25 120.55 1yrl h VAL 359 Ca -0.02 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 1yrl h VAL 359 Cb 1.22 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1yrl h VAL 359 CO 0.08 0.02 0.16 0.25 0.02 0.00 0.00 177.57 178.10 1yrl h LEU 360 N 0.11 1.06 -1.05 2.57 5.85 -0.19 -1.57 115.31 122.10 1yrl h LEU 360 Ca 0.40 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1yrl h LEU 360 Cb 0.70 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 1yrl h LEU 360 CO -0.65 1.02 0.64 0.24 -0.34 0.00 0.00 178.44 179.36 1yrl h MET 361 N 1.04 1.22 -0.44 1.25 2.86 -1.03 0.26 114.93 120.10 1yrl h MET 361 Ca 0.21 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.73 1yrl h MET 361 Cb 0.39 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1yrl h MET 361 CO 0.00 0.81 0.07 0.82 1.06 0.00 0.00 176.91 179.68 1yrl h ILE 362 N 1.26 1.24 -0.74 -1.22 2.04 -0.97 -1.87 117.51 117.25 1yrl h ILE 362 Ca 0.38 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 1yrl h ILE 362 Cb -0.04 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1yrl h ILE 362 CO -0.11 0.31 0.26 0.00 0.00 0.00 0.00 178.15 178.61 1yrl h ALA 363 N 0.94 1.06 -0.73 1.87 0.00 -0.23 -0.45 119.26 121.71 1yrl h ALA 363 Ca 0.13 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1yrl h ALA 363 Cb 0.37 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1yrl h ALA 363 CO 0.01 0.65 0.26 0.52 0.00 0.00 0.00 179.25 180.69 1yrl h MET 364 N 1.09 1.12 0.24 0.00 2.86 -0.27 0.32 114.93 120.29 1yrl h MET 364 Ca 0.24 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1yrl h MET 364 Cb 0.26 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1yrl h MET 364 CO -0.01 0.94 -0.12 0.28 1.06 0.00 0.00 176.91 179.06 1yrl h VAL 365 N 1.07 0.79 -0.10 -2.22 2.07 -0.98 0.31 116.25 117.20 1yrl h VAL 365 Ca 0.24 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.60 1yrl h VAL 365 Cb 0.26 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1yrl h VAL 365 CO -0.01 0.04 -0.04 0.50 0.02 0.00 0.00 177.57 178.07 1yrl h LYS 366 N -0.42 -0.03 -0.09 1.57 3.64 -0.76 0.16 116.57 120.64 1yrl h LYS 366 Ca -0.03 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1yrl h LYS 366 Cb 0.32 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1yrl h LYS 366 CO 0.06 -0.02 -0.06 0.00 -2.27 0.00 0.00 179.45 177.16 1yrl h ALA 367 N 1.06 0.02 -0.74 5.00 0.00 -0.21 -1.65 119.26 122.74 1yrl h ALA 367 Ca 0.05 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1yrl h ALA 367 Cb 0.11 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1yrl h ALA 367 CO -0.12 -0.52 0.22 0.78 0.00 0.00 0.00 179.25 179.61 1yrl h GLY 368 N -0.06 1.24 0.83 0.00 0.00 -0.17 -1.99 103.07 102.92 1yrl h GLY 368 Ca 0.06 -0.75 -0.03 0.00 0.00 0.00 0.00 47.33 46.61 1yrl h GLY 368 CO -0.13 0.70 -0.32 -2.08 0.00 0.00 0.00 176.54 174.71 1yrl h VAL 369 N 1.10 0.22 -0.59 4.60 2.07 -0.39 -0.86 116.25 122.40 1yrl h VAL 369 Ca 0.24 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1yrl h VAL 369 Cb 0.33 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 1yrl h VAL 369 CO -0.01 0.02 0.30 -0.33 0.02 0.00 0.00 177.57 177.57 1yrl h GLU 370 N -1.08 0.54 -0.34 1.57 5.08 -1.34 -1.35 114.58 117.66 1yrl h GLU 370 Ca -0.09 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1yrl h GLU 370 Cb 0.73 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1yrl h GLU 370 CO 0.15 0.36 0.13 1.25 -1.00 0.00 0.00 179.01 179.90 1yrl h LEU 371 N 0.56 0.47 -0.09 1.33 5.85 -1.37 0.52 115.31 122.58 1yrl h LEU 371 Ca 0.27 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1yrl h LEU 371 Cb 0.21 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1yrl h LEU 371 CO -0.20 0.52 0.05 0.00 -0.34 0.00 0.00 178.44 178.47 1yrl h ALA 372 N 0.97 0.12 -0.17 1.25 0.00 -0.92 -0.13 119.26 120.38 1yrl h ALA 372 Ca 0.11 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1yrl h ALA 372 Cb 0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1yrl h ALA 372 CO -0.01 -0.33 -0.05 0.35 0.00 0.00 0.00 179.25 179.21 1yrl h PHE 373 N 0.03 -0.10 -0.02 0.00 3.57 -1.00 -1.22 116.94 118.19 1yrl h PHE 373 Ca 0.03 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1yrl h PHE 373 Cb 0.10 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1yrl h PHE 373 CO -0.04 -0.08 -0.03 0.93 -2.23 0.00 0.00 178.31 176.86 1yrl h GLU 374 N -0.01 -0.04 -0.56 1.11 5.08 0.15 -0.12 114.58 120.20 1yrl h GLU 374 Ca 0.08 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1yrl h GLU 374 Cb 0.13 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1yrl h GLU 374 CO -0.18 -0.03 0.33 1.15 -1.00 0.00 0.00 179.01 179.28 1yrl h THR 375 N -0.04 1.04 -0.06 1.13 2.02 -0.85 -0.14 112.91 116.01 1yrl h THR 375 Ca 0.02 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1yrl h THR 375 Cb 0.07 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1yrl h THR 375 CO -0.05 0.12 0.03 0.24 0.37 0.00 0.00 175.52 176.23 1yrl h MET 376 N 0.64 0.09 -0.40 6.66 2.86 -1.02 -2.38 114.93 121.38 1yrl h MET 376 Ca 0.23 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1yrl h MET 376 Cb 0.05 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1yrl h MET 376 CO -0.11 0.21 0.21 0.28 1.06 0.00 0.00 176.91 178.56 1yrl h VAL 377 N -0.05 1.13 0.00 -2.22 2.07 -0.71 -0.15 116.25 116.32 1yrl h VAL 377 Ca 0.02 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1yrl h VAL 377 Cb 0.15 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1yrl h VAL 377 CO -0.00 0.15 0.00 0.47 0.02 0.00 0.00 177.57 178.20 1yrl n ASP 378 N -4.42 0.00 -1.27 0.57 8.00 -0.09 -2.56 116.55 116.77 1yrl n ASP 378 Ca 0.03 0.44 0.08 0.00 0.71 0.00 0.00 54.79 56.05 1yrl n ASP 378 Cb 0.10 -0.47 0.31 0.00 -0.02 0.00 0.00 41.12 41.04 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 -1.47 4.56 0.00 -2.24 7.64 -0.11 -4.93 113.62 117.07 1yrl n SER 379 Ca 0.05 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 57.00 1yrl n SER 379 Cb 0.20 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 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 0.00 0.75 3.81 0.23 0.00 -1.06 -5.02 105.19 103.90 1yrl n GLY 380 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.64 4.74 0.33 -0.61 1.01 -0.94 -3.06 121.20 120.03 1yrl s ILE 381 Ca 0.00 1.23 -0.26 0.00 0.00 0.00 0.00 60.65 61.61 1yrl s ILE 381 Cb 0.00 -3.90 -0.10 0.00 0.01 0.00 0.00 42.46 38.47 1yrl s ILE 381 CO 0.00 0.55 0.99 0.27 0.00 0.00 0.00 174.94 176.75 1yrl s ILE 382 N -1.07 3.98 0.23 2.92 -5.25 -1.25 -3.97 121.20 116.78 1yrl s ILE 382 Ca 0.29 1.67 -0.16 0.00 -0.99 0.00 0.00 60.65 61.46 1yrl s ILE 382 Cb -0.20 -3.93 0.25 0.00 2.95 0.00 0.00 42.46 41.53 1yrl s ILE 382 CO 0.19 0.15 1.58 -0.33 -1.79 0.00 0.00 174.94 174.74 1yrl h GLU 383 N 3.13 -0.05 -0.69 0.37 5.08 -1.96 -0.82 114.58 119.64 1yrl h GLU 383 Ca -0.47 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.04 1yrl h GLU 383 Cb 1.20 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.33 1yrl h GLU 383 CO 0.65 -0.03 -0.13 0.93 -1.00 0.00 0.00 179.01 179.42 1yrl h GLU 384 N -0.05 0.02 0.23 2.33 3.07 -1.93 0.75 114.58 119.00 1yrl h GLU 384 Ca 0.34 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.18 1yrl h GLU 384 Cb 0.59 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1yrl h GLU 384 CO -0.85 0.01 -0.11 0.77 -1.40 0.00 0.00 179.01 177.43 1yrl h SER 385 N 0.02 -0.26 -0.70 1.42 0.02 -1.49 -2.52 113.55 110.03 1yrl h SER 385 Ca 0.34 -0.07 0.12 0.00 -0.84 0.00 0.00 61.79 61.34 1yrl h SER 385 Cb 0.54 0.07 -0.08 0.00 0.14 0.00 0.00 62.40 63.07 1yrl h SER 385 CO -0.69 -0.10 0.29 0.00 -1.14 0.00 0.00 176.83 175.19 1yrl h ALA 386 N 0.33 0.96 -0.50 3.77 0.00 -0.50 -1.31 119.26 122.02 1yrl h ALA 386 Ca -0.03 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1yrl h ALA 386 Cb 0.32 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1yrl h ALA 386 CO 0.05 -0.17 0.28 -0.92 0.00 0.00 0.00 179.25 178.50 1yrl h TYR 387 N 0.47 0.53 0.00 0.00 3.20 0.60 -1.28 116.97 120.49 1yrl h TYR 387 Ca 0.37 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.19 1yrl h TYR 387 Cb 0.50 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1yrl h TYR 387 CO -0.16 0.29 -0.30 1.88 -1.64 0.00 0.00 178.16 178.23 1yrl h TYR 388 N 0.56 0.00 -0.64 -3.82 -1.99 -0.85 -2.63 116.97 107.60 1yrl h TYR 388 Ca 0.21 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.94 1yrl h TYR 388 Cb 0.05 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.78 1yrl h TYR 388 CO -0.08 0.30 0.00 0.39 -0.00 0.00 0.00 178.16 178.78 1yrl n GLU 389 N -3.60 2.71 -0.08 4.88 -0.58 -0.59 -3.84 120.64 119.53 1yrl n GLU 389 Ca -0.01 -2.53 0.00 0.00 -0.42 0.00 0.00 57.16 54.20 1yrl n GLU 389 Cb 0.43 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 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 1.48 0.00 0.00 1.62 3.41 -0.52 -4.10 113.62 115.51 1yrl n SER 390 Ca 0.22 -1.16 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 1yrl n SER 390 Cb 0.59 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.00 -0.02 -0.19 1.04 7.94 -1.05 -4.57 117.00 120.15 1yrl n LEU 391 Ca 0.00 0.01 -0.01 0.00 -1.11 0.00 0.00 56.01 54.90 1yrl n LEU 391 Cb 0.53 0.48 0.07 0.00 0.53 0.00 0.00 43.42 45.03 1yrl n LEU 391 CO 0.00 -0.46 0.79 -0.74 -1.11 0.00 0.00 177.39 175.87 1yrl h HIS 392 N 0.00 -0.17 -0.00 1.96 2.76 -1.62 -1.89 115.15 116.19 1yrl h HIS 392 Ca 0.00 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1yrl h HIS 392 Cb 0.00 0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.13 1yrl h HIS 392 CO 0.00 -0.20 -0.17 0.39 -1.30 0.00 0.00 177.93 176.65 1yrl n GLU 393 N -5.33 0.43 -0.21 5.26 1.02 -1.25 -4.16 120.64 116.40 1yrl n GLU 393 Ca 0.07 -0.16 -0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1yrl n GLU 393 Cb 0.31 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.35 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 0.38 0.31 -1.41 -4.62 5.85 -1.69 -1.02 115.31 113.11 1yrl h LEU 394 Ca 0.00 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1yrl h LEU 394 Cb 0.42 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1yrl h LEU 394 CO 0.00 0.18 0.43 -0.65 -0.34 0.00 0.00 178.44 178.06 1yrl h PRO 395 N 0.47 0.75 -0.24 5.25 0.11 -1.73 -0.97 132.00 135.63 1yrl h PRO 395 Ca 0.31 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.31 1yrl h PRO 395 Cb 0.35 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1yrl h PRO 395 CO -0.28 0.49 -0.09 -0.07 -0.21 0.00 0.00 178.00 177.84 1yrl h LEU 396 N 0.77 0.50 -0.70 2.35 3.38 -1.47 -2.03 115.31 118.12 1yrl h LEU 396 Ca 0.26 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1yrl h LEU 396 Cb 0.07 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1yrl h LEU 396 CO -0.07 0.78 -0.05 0.40 0.09 0.00 0.00 178.44 179.59 1yrl h ILE 397 N 0.22 1.26 -0.63 1.22 5.03 -1.00 -2.42 117.51 121.20 1yrl h ILE 397 Ca 0.06 -1.16 0.05 0.00 -0.12 0.00 0.00 64.86 63.68 1yrl h ILE 397 Cb 0.58 0.89 -0.05 0.00 -3.03 0.00 0.00 36.82 35.22 1yrl h ILE 397 CO 0.03 0.41 0.36 0.00 -0.68 0.00 0.00 178.15 178.27 1yrl h ALA 398 N 1.06 0.82 -0.86 1.87 0.00 -1.13 -0.61 119.26 120.42 1yrl h ALA 398 Ca 0.15 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.22 1yrl h ALA 398 Cb 0.58 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1yrl h ALA 398 CO 0.03 0.05 0.56 -0.91 0.00 0.00 0.00 179.25 178.99 1yrl h ASN 399 N 0.68 0.58 -0.42 0.00 2.35 -0.86 -0.30 115.58 117.60 1yrl h ASN 399 Ca 0.27 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 56.02 1yrl h ASN 399 Cb 0.12 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1yrl h ASN 399 CO -0.15 0.29 0.13 0.74 -1.65 0.00 0.00 177.43 176.78 1yrl h THR 400 N 0.61 1.22 -0.38 2.81 2.02 -0.91 -2.64 112.91 115.64 1yrl h THR 400 Ca 0.43 -0.73 -0.09 0.00 0.77 0.00 0.00 66.41 66.79 1yrl h THR 400 Cb 0.78 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1yrl h THR 400 CO -0.19 0.26 -0.12 0.40 0.37 0.00 0.00 175.52 176.24 1yrl h ILE 401 N 0.54 1.25 0.00 3.11 2.04 -0.61 -1.74 117.51 122.10 1yrl h ILE 401 Ca 0.14 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1yrl h ILE 401 Cb 0.27 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1yrl h ILE 401 CO -0.00 0.38 0.00 0.00 0.00 0.00 0.00 178.15 178.53 1yrl n ALA 402 N -2.48 1.55 -0.07 1.87 0.00 -0.29 -1.56 120.51 119.53 1yrl n ALA 402 Ca 0.01 -0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.24 1yrl n ALA 402 Cb 0.36 -1.24 -0.13 0.00 0.00 0.00 0.00 19.45 18.44 1yrl n ALA 402 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1yrl n ARG 403 N -1.70 0.68 -2.72 0.00 0.63 -0.69 -4.83 116.66 108.04 1yrl n ARG 403 Ca 0.03 0.26 -0.08 0.00 -0.92 0.00 0.00 57.85 57.14 1yrl n ARG 403 Cb 0.16 -1.63 0.10 0.00 0.45 0.00 0.00 32.46 31.54 1yrl n ARG 403 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1yrl n LYS 404 N -3.60 1.15 0.00 -0.14 4.76 -1.02 -5.06 118.16 114.25 1yrl n LYS 404 Ca -0.39 -2.03 0.00 0.00 -2.87 0.00 0.00 58.31 53.02 1yrl n LYS 404 Cb 0.97 -0.41 0.00 0.00 -1.84 0.00 0.00 35.03 33.75 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 -0.33 0.00 0.10 1.97 5.12 -0.60 -1.82 116.66 121.10 1yrl n ARG 405 Ca 0.01 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.92 1yrl n ARG 405 Cb 0.81 0.00 0.26 0.00 -1.16 0.00 0.00 32.46 32.37 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 0.23 -0.61 0.55 3.38 -1.92 -3.10 115.31 113.83 1yrl h LEU 406 Ca 0.00 -0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.01 1yrl h LEU 406 Cb 0.00 -0.06 -0.12 0.00 0.09 0.00 0.00 40.66 40.57 1yrl h LEU 406 CO 0.00 0.58 -0.13 0.22 0.09 0.00 0.00 178.44 179.20 1yrl h TYR 407 N 0.19 -0.29 -0.38 1.13 3.20 -1.95 -0.86 116.97 118.01 1yrl h TYR 407 Ca 0.02 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1yrl h TYR 407 Cb 0.73 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 1yrl h TYR 407 CO 0.01 -0.25 0.23 1.49 -1.64 0.00 0.00 178.16 178.00 1yrl h GLU 408 N 0.01 0.51 0.06 1.82 4.57 -1.28 -1.28 114.58 119.00 1yrl h GLU 408 Ca 0.30 -0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.45 1yrl h GLU 408 Cb 0.46 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 1yrl h GLU 408 CO -0.62 0.38 -0.15 1.98 -1.18 0.00 0.00 179.01 179.43 1yrl h MET 409 N 0.50 -0.26 0.00 1.92 4.05 -1.32 0.12 114.93 119.93 1yrl h MET 409 Ca 0.14 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.55 1yrl h MET 409 Cb 0.00 0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 30.86 1yrl h MET 409 CO -0.03 -0.18 -0.12 -0.91 0.23 0.00 0.00 176.91 175.91 1yrl h ASN 410 N -0.27 0.00 0.12 1.39 2.35 -1.10 -0.50 115.58 117.57 1yrl h ASN 410 Ca 0.03 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.59 1yrl h ASN 410 Cb 0.31 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.70 1yrl h ASN 410 CO -0.10 0.12 -0.84 0.58 -1.65 0.00 0.00 177.43 175.54 1yrl h VAL 411 N 0.00 1.47 -0.04 2.81 2.07 -0.56 -3.35 116.25 118.64 1yrl h VAL 411 Ca -0.00 -2.45 -0.00 0.00 0.82 0.00 0.00 66.70 65.07 1yrl h VAL 411 Cb 0.45 3.04 -0.00 0.00 -1.52 0.00 0.00 31.29 33.26 1yrl h VAL 411 CO 0.02 0.70 0.02 0.58 0.02 0.00 0.00 177.57 178.90 1yrl h VAL 412 N -0.24 1.14 -4.28 2.57 2.07 -0.47 -3.44 116.25 113.60 1yrl h VAL 412 Ca -0.14 -0.43 -0.51 0.00 0.82 0.00 0.00 66.70 66.44 1yrl h VAL 412 Cb 1.63 1.36 0.12 0.00 -1.52 0.00 0.00 31.29 32.87 1yrl h VAL 412 CO 0.16 0.12 0.34 0.27 0.02 0.00 0.00 177.57 178.48 1yrl s ILE 413 N -5.51 3.41 0.87 4.57 -4.36 -0.22 -4.84 121.20 115.13 1yrl s ILE 413 Ca -0.14 0.52 -0.11 0.00 -0.26 0.00 0.00 60.65 60.66 1yrl s ILE 413 Cb 0.05 -3.04 0.12 0.00 1.25 0.00 0.00 42.46 40.83 1yrl s ILE 413 CO 0.67 -0.54 1.11 -0.94 0.24 0.00 0.00 174.94 175.48 1yrl s SER 414 N -3.20 3.52 0.35 4.36 1.04 -1.26 -4.74 113.70 113.78 1yrl s SER 414 Ca 0.62 1.88 0.03 0.00 0.48 0.00 0.00 55.95 58.96 1yrl s SER 414 Cb -0.18 -2.47 0.65 0.00 0.10 0.00 0.00 66.02 64.13 1yrl s SER 414 CO 0.51 -2.67 2.00 0.44 0.98 0.00 0.00 173.24 174.50 1yrl h ASP 415 N -1.57 0.68 -0.61 7.02 3.32 -1.94 0.13 116.42 123.44 1yrl h ASP 415 Ca -0.46 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.52 1yrl h ASP 415 Cb 1.26 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 1yrl h ASP 415 CO 0.48 0.52 0.21 0.74 -1.72 0.00 0.00 179.24 179.47 1yrl h THR 416 N 0.79 1.24 -0.35 0.35 2.02 -1.99 0.50 112.91 115.48 1yrl h THR 416 Ca 0.21 -0.80 -0.12 0.00 0.77 0.00 0.00 66.41 66.47 1yrl h THR 416 Cb -0.04 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1yrl h THR 416 CO -0.04 0.31 -0.26 0.00 0.37 0.00 0.00 175.52 175.90 1yrl h ALA 417 N 1.07 0.90 0.02 6.16 0.00 -1.65 -0.80 119.26 124.97 1yrl h ALA 417 Ca 0.20 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1yrl h ALA 417 Cb 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1yrl h ALA 417 CO -0.01 0.62 -0.01 1.49 0.00 0.00 0.00 179.25 181.34 1yrl h GLU 418 N 0.61 -0.03 -0.66 0.00 4.81 -0.25 0.87 114.58 119.94 1yrl h GLU 418 Ca 0.08 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1yrl h GLU 418 Cb 0.75 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 1yrl h GLU 418 CO 0.06 0.17 0.42 -0.92 -0.73 0.00 0.00 179.01 178.01 1yrl h TYR 419 N -0.22 0.79 -0.73 0.92 3.20 -0.87 -1.45 116.97 118.61 1yrl h TYR 419 Ca -0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1yrl h TYR 419 Cb 0.21 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1yrl h TYR 419 CO -0.01 0.47 0.42 0.78 -1.64 0.00 0.00 178.16 178.18 1yrl h GLY 420 N 0.84 1.07 0.99 1.82 0.00 -0.93 0.55 103.07 107.41 1yrl h GLY 420 Ca 0.25 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 1yrl h GLY 420 CO -0.08 0.45 -0.48 -0.57 0.00 0.00 0.00 176.54 175.85 1yrl h ASN 421 N 1.00 -1.16 -0.27 0.19 -1.24 -0.35 -2.78 115.58 110.97 1yrl h ASN 421 Ca 0.26 0.04 0.06 0.00 0.71 0.00 0.00 56.30 57.37 1yrl h ASN 421 Cb 0.00 0.31 -0.08 0.00 0.73 0.00 0.00 38.32 39.28 1yrl h ASN 421 CO -0.04 -0.81 -0.39 1.88 -1.29 0.00 0.00 177.43 176.78 1yrl h TYR 422 N -1.33 -1.12 -1.31 0.67 0.99 -1.13 0.50 116.97 114.25 1yrl h TYR 422 Ca -0.13 0.06 0.43 0.00 2.00 0.00 0.00 58.73 61.08 1yrl h TYR 422 Cb 1.02 0.53 -0.13 0.00 1.00 0.00 0.00 36.73 39.15 1yrl h TYR 422 CO -0.02 -0.44 0.84 1.25 -0.00 0.00 0.00 178.16 179.80 1yrl h LEU 423 N -0.38 0.25 0.07 3.88 5.85 -0.80 0.45 115.31 124.63 1yrl h LEU 423 Ca 0.12 0.14 -0.29 0.00 0.84 0.00 0.00 57.88 58.69 1yrl h LEU 423 Cb 0.59 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1yrl h LEU 423 CO -0.47 -0.18 -1.54 0.15 -0.34 0.00 0.00 178.44 176.05 1yrl h PHE 424 N 0.09 0.27 -0.09 1.25 3.57 -0.73 -3.38 116.94 117.93 1yrl h PHE 424 Ca 0.81 -0.20 0.03 0.00 3.53 0.00 0.00 57.97 62.15 1yrl h PHE 424 Cb 2.54 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 41.23 1yrl h PHE 424 CO -0.01 1.61 -0.13 0.77 -2.23 0.00 0.00 178.31 178.32 1yrl h SER 425 N -0.47 -0.41 0.00 0.41 0.02 0.19 0.49 113.55 113.78 1yrl h SER 425 Ca -0.36 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1yrl h SER 425 Cb 1.66 0.19 0.00 0.00 0.14 0.00 0.00 62.40 64.39 1yrl h SER 425 CO -0.04 -0.18 0.00 -1.22 -1.14 0.00 0.00 176.83 174.25 1yrl n TYR 426 N -5.27 0.00 -0.06 3.45 4.02 -0.11 -1.82 117.16 117.36 1yrl n TYR 426 Ca -0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.75 1yrl n TYR 426 Cb 0.19 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.47 1yrl n TYR 426 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1yrl n ALA 427 N -0.95 1.96 -0.12 -0.72 0.00 -0.36 -4.65 120.51 115.68 1yrl n ALA 427 Ca 0.08 -0.47 -0.04 0.00 0.00 0.00 0.00 53.44 53.00 1yrl n ALA 427 Cb 0.03 0.29 0.16 0.00 0.00 0.00 0.00 19.45 19.93 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 0.77 1.12 -0.52 0.00 2.07 -1.61 -2.34 116.25 115.74 1yrl h VAL 429 Ca 0.15 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 1yrl h VAL 429 Cb 0.43 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1yrl h VAL 429 CO 0.02 0.12 0.15 -0.65 0.02 0.00 0.00 177.57 177.22 1yrl h PRO 430 N 0.37 0.81 -0.97 1.57 0.11 -1.81 -2.84 132.00 129.24 1yrl h PRO 430 Ca 0.11 -0.18 0.22 0.00 0.11 0.00 0.00 66.00 66.25 1yrl h PRO 430 Cb 0.03 -0.11 -0.12 0.00 0.11 0.00 0.00 31.00 30.91 1yrl h PRO 430 CO -0.02 0.76 0.55 1.25 -0.21 0.00 0.00 178.00 180.33 1yrl h LEU 431 N 0.71 0.63 -0.73 2.35 5.85 -1.24 -0.73 115.31 122.15 1yrl h LEU 431 Ca 0.17 0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1yrl h LEU 431 Cb 0.29 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1yrl h LEU 431 CO -0.00 0.14 -0.17 0.18 -0.34 0.00 0.00 178.44 178.25 1yrl n LEU 432 N -4.88 1.30 -0.16 2.25 4.32 -0.90 -4.43 117.00 114.50 1yrl n LEU 432 Ca 0.24 -0.39 -0.07 0.00 -0.02 0.00 0.00 56.01 55.77 1yrl n LEU 432 Cb 0.65 -0.07 -0.01 0.00 -1.62 0.00 0.00 43.42 42.37 1yrl n LEU 432 CO 0.17 0.23 0.62 0.50 -1.22 0.00 0.00 177.39 177.70 1yrl h LYS 433 N 1.78 -0.21 -0.81 3.23 3.64 -0.89 0.48 116.57 123.79 1yrl h LYS 433 Ca 0.00 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1yrl h LYS 433 Cb 0.53 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 1yrl h LYS 433 CO 0.00 -0.14 0.39 -1.00 -2.27 0.00 0.00 179.45 176.42 1yrl h PRO 434 N -0.22 1.17 -0.48 1.90 0.13 -1.78 -2.01 132.00 130.71 1yrl h PRO 434 Ca 0.19 -0.17 0.06 0.00 -0.87 0.00 0.00 66.00 65.21 1yrl h PRO 434 Cb 0.55 -0.21 -0.05 0.00 0.13 0.00 0.00 31.00 31.42 1yrl h PRO 434 CO -0.61 0.90 0.19 0.35 -0.23 0.00 0.00 178.00 178.60 1yrl h PHE 435 N 1.16 0.33 -0.28 1.56 3.57 -1.27 -1.27 116.94 120.75 1yrl h PHE 435 Ca 0.28 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.75 1yrl h PHE 435 Cb 0.12 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1yrl h PHE 435 CO 0.01 0.13 -0.07 0.52 -2.23 0.00 0.00 178.31 176.67 1yrl h MET 436 N 0.37 0.44 0.00 1.11 2.86 -0.72 -2.58 114.93 116.42 1yrl h MET 436 Ca 0.23 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1yrl h MET 436 Cb 0.22 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1yrl h MET 436 CO -0.22 0.53 0.00 0.00 1.06 0.00 0.00 176.91 178.28 1yrl h ALA 437 N 1.51 1.00 -0.36 6.32 0.00 -0.48 -2.44 119.26 124.80 1yrl h ALA 437 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1yrl h ALA 437 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1yrl h ALA 437 CO 0.02 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.66 1yrl n GLU 438 N -2.75 2.89 -1.69 0.00 -0.58 -0.97 -5.02 120.64 112.51 1yrl n GLU 438 Ca -0.01 -2.15 -0.43 0.00 -0.42 0.00 0.00 57.16 54.14 1yrl n GLU 438 Cb 0.13 -1.34 -0.01 0.00 -0.57 0.00 0.00 31.44 29.65 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 0.49 3.44 -4.96 -4.62 4.77 -0.92 -4.98 117.00 110.21 1yrl n LEU 439 Ca 0.13 1.18 -0.22 0.00 -0.03 0.00 0.00 56.01 57.07 1yrl n LEU 439 Cb 0.48 -1.47 0.03 0.00 -2.33 0.00 0.00 43.42 40.13 1yrl n LEU 439 CO 0.09 -0.46 0.37 -1.10 -1.33 0.00 0.00 177.39 174.96 1yrl s GLN 440 N -1.32 2.67 0.12 3.23 -0.21 -1.26 -5.01 119.66 117.88 1yrl s GLN 440 Ca 0.60 -0.64 -0.31 0.00 0.02 0.00 0.00 55.36 55.03 1yrl s GLN 440 Cb -0.59 -2.48 -0.09 0.00 1.00 0.00 0.00 33.01 30.86 1yrl s GLN 440 CO 0.57 -0.63 1.48 -1.25 -2.12 0.00 0.00 175.29 173.35 1yrl s PRO 441 N -4.75 4.27 0.00 2.91 0.04 -1.26 -2.47 135.00 133.74 1yrl s PRO 441 Ca 0.55 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.79 1yrl s PRO 441 Cb -0.10 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1yrl s PRO 441 CO 0.39 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 177.30 1yrl n GLY 442 N 3.65 2.88 0.30 0.56 0.00 -1.26 -4.95 105.19 106.37 1yrl n GLY 442 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.95 -3.08 1.61 3.32 -1.71 -3.41 116.42 114.10 1yrl h ASP 443 Ca 0.00 -0.23 -0.10 0.00 0.02 0.00 0.00 57.03 56.71 1yrl h ASP 443 Cb 0.00 -0.25 -0.26 0.00 0.22 0.00 0.00 39.33 39.04 1yrl h ASP 443 CO 0.00 0.97 -0.29 -0.22 -1.72 0.00 0.00 179.24 177.99 1yrl s LEU 444 N -9.32 -0.26 0.00 1.55 2.96 -1.26 0.57 118.68 112.92 1yrl s LEU 444 Ca -0.11 0.96 0.00 0.00 -0.22 0.00 0.00 54.13 54.76 1yrl s LEU 444 Cb 0.14 1.42 0.00 0.00 0.50 0.00 0.00 46.19 48.26 1yrl s LEU 444 CO 0.84 -0.20 0.00 0.61 -1.32 0.00 0.00 176.35 176.27 1yrl n GLY 445 N 4.47 3.05 3.40 7.98 0.00 0.21 -4.95 105.19 119.35 1yrl n GLY 445 Ca -0.20 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 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 0.00 1.82 0.48 1.61 2.20 -1.26 -4.74 119.74 119.85 1yrl s LYS 446 Ca 0.00 -1.12 -0.20 0.00 -0.36 0.00 0.00 55.97 54.29 1yrl s LYS 446 Cb 0.00 -2.04 -0.09 0.00 -1.51 0.00 0.00 37.83 34.19 1yrl s LYS 446 CO 0.00 0.51 1.03 0.00 -0.36 0.00 0.00 175.35 176.53 1yrl s ALA 447 N -0.91 2.88 -0.25 3.13 0.00 -1.26 -4.19 121.76 121.16 1yrl s ALA 447 Ca 0.13 0.60 -0.19 0.00 0.00 0.00 0.00 51.96 52.51 1yrl s ALA 447 Cb -0.10 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1yrl s ALA 447 CO 0.04 -0.29 0.54 0.42 0.00 0.00 0.00 175.76 176.47 1yrl s ILE 448 N -1.99 5.06 0.15 0.00 1.01 -1.26 -4.80 121.20 119.37 1yrl s ILE 448 Ca 0.67 0.95 -0.34 0.00 0.00 0.00 0.00 60.65 61.93 1yrl s ILE 448 Cb -0.16 -3.85 -0.16 0.00 0.01 0.00 0.00 42.46 38.30 1yrl s ILE 448 CO 0.20 0.09 1.26 -0.81 0.00 0.00 0.00 174.94 175.68 1yrl n PRO 449 N 5.43 1.31 -1.62 2.79 -0.04 -1.26 -4.72 135.00 136.89 1yrl n PRO 449 Ca -0.03 0.47 -0.33 0.00 -0.04 0.00 0.00 63.50 63.56 1yrl n PRO 449 Cb 0.50 -2.04 0.07 0.00 -0.04 0.00 0.00 33.50 31.98 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 -0.06 2.52 0.00 0.54 8.01 -1.26 -4.82 118.70 123.63 1yrl s GLU 450 Ca 0.76 1.53 0.00 0.00 0.01 0.00 0.00 54.97 57.27 1yrl s GLU 450 Cb -0.85 -1.90 0.00 0.00 -4.31 0.00 0.00 34.13 27.07 1yrl s GLU 450 CO 0.50 -1.50 0.00 0.41 0.01 0.00 0.00 175.26 174.68 1yrl n GLY 451 N -0.16 -1.12 3.85 -1.39 0.00 -1.26 -5.05 105.19 100.06 1yrl n GLY 451 Ca 0.12 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 1yrl n GLY 451 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yrl s ALA 452 N -1.00 3.01 0.04 4.61 0.00 -1.26 -4.62 121.76 122.53 1yrl s ALA 452 Ca 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 51.96 51.91 1yrl s ALA 452 Cb 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.01 1yrl s ALA 452 CO 0.00 -0.65 0.18 0.14 0.00 0.00 0.00 175.76 175.44 1yrl s VAL 453 N -2.96 0.11 0.15 0.00 -7.23 -1.26 -4.81 120.40 104.40 1yrl s VAL 453 Ca 0.57 -0.90 -0.31 0.00 -1.81 0.00 0.00 61.98 59.53 1yrl s VAL 453 Cb -0.11 -0.87 -0.10 0.00 0.56 0.00 0.00 36.38 35.85 1yrl s VAL 453 CO 0.47 -0.50 1.66 -0.62 -0.31 0.00 0.00 175.10 175.80 1yrl s ASP 454 N -2.04 6.52 0.21 4.85 2.15 -1.26 -4.89 116.67 122.22 1yrl s ASP 454 Ca -0.06 2.66 -0.09 0.00 0.43 0.00 0.00 52.55 55.49 1yrl s ASP 454 Cb -0.02 -2.58 0.24 0.00 -0.30 0.00 0.00 42.92 40.26 1yrl s ASP 454 CO -0.03 -0.90 1.80 0.78 -0.17 0.00 0.00 175.17 176.65 1yrl h ASN 455 N 7.43 0.52 -0.55 -0.34 -0.26 -1.99 -1.76 115.58 118.61 1yrl h ASN 455 Ca -0.43 0.03 -0.00 0.00 -0.56 0.00 0.00 56.30 55.34 1yrl h ASN 455 Cb 1.20 -0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 38.37 1yrl h ASN 455 CO 0.93 0.33 0.34 1.23 -1.06 0.00 0.00 177.43 179.21 1yrl h GLY 456 N 0.65 0.80 0.90 2.83 0.00 -1.99 -1.01 103.07 105.25 1yrl h GLY 456 Ca 0.30 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 1yrl h GLY 456 CO -0.19 0.32 -0.02 -1.61 0.00 0.00 0.00 176.54 175.04 1yrl h GLN 457 N 0.75 0.58 -0.43 4.80 4.15 -1.86 0.89 115.11 123.98 1yrl h GLN 457 Ca 0.20 -0.19 0.01 0.00 0.77 0.00 0.00 58.65 59.44 1yrl h GLN 457 Cb -0.03 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.59 1yrl h GLN 457 CO -0.04 0.72 0.27 1.25 -1.93 0.00 0.00 178.83 179.10 1yrl h LEU 458 N 0.37 0.45 0.06 -2.39 5.85 -1.21 0.39 115.31 118.82 1yrl h LEU 458 Ca 0.09 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1yrl h LEU 458 Cb 0.48 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1yrl h LEU 458 CO 0.02 0.32 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.22 1yrl h ARG 459 N 0.54 -0.24 -0.76 1.25 2.43 -0.96 0.18 114.38 116.81 1yrl h ARG 459 Ca 0.17 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1yrl h ARG 459 Cb -0.02 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 1yrl h ARG 459 CO -0.06 -0.16 0.35 -0.44 -1.51 0.00 0.00 179.97 178.15 1yrl h ASP 460 N -0.25 1.00 -0.13 -3.80 3.32 -0.38 -2.11 116.42 114.07 1yrl h ASP 460 Ca 0.03 -0.12 -0.18 0.00 0.02 0.00 0.00 57.03 56.78 1yrl h ASP 460 Cb 0.28 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 1yrl h ASP 460 CO -0.09 0.85 -0.56 0.58 -1.72 0.00 0.00 179.24 178.30 1yrl h VAL 461 N 1.08 1.30 -0.80 -1.35 2.07 0.08 -0.91 116.25 117.72 1yrl h VAL 461 Ca 0.26 -1.78 -0.02 0.00 0.82 0.00 0.00 66.70 65.98 1yrl h VAL 461 Cb 0.13 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1yrl h VAL 461 CO -0.03 0.57 0.41 0.78 0.02 0.00 0.00 177.57 179.32 1yrl h ASN 462 N 0.55 1.02 -0.40 0.57 2.35 -0.39 -1.67 115.58 117.60 1yrl h ASN 462 Ca 0.01 -0.11 -0.16 0.00 -0.55 0.00 0.00 56.30 55.49 1yrl h ASN 462 Cb 1.14 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 1yrl h ASN 462 CO 0.12 0.84 -0.36 -0.33 -1.65 0.00 0.00 177.43 176.05 1yrl h GLU 463 N 1.12 0.95 -0.69 0.81 4.39 -1.31 -2.65 114.58 117.20 1yrl h GLU 463 Ca 0.28 -0.49 0.04 0.00 0.34 0.00 0.00 59.36 59.53 1yrl h GLU 463 Cb 0.07 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 1yrl h GLU 463 CO -0.04 1.15 0.46 0.00 -1.16 0.00 0.00 179.01 179.41 1yrl h ALA 464 N 0.79 1.61 0.19 3.43 0.00 -0.80 -0.41 119.26 124.07 1yrl h ALA 464 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1yrl h ALA 464 Cb 0.95 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1yrl h ALA 464 CO 0.09 0.31 -0.09 0.82 0.00 0.00 0.00 179.25 180.38 1yrl h ILE 465 N 0.83 0.00 0.00 0.00 2.04 -1.11 -3.20 117.51 116.07 1yrl h ILE 465 Ca 0.28 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 66.03 1yrl h ILE 465 Cb 0.07 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 1yrl h ILE 465 CO -0.08 0.00 0.00 -2.11 0.00 0.00 0.00 178.15 175.96 1yrl n ARG 466 N -2.97 0.14 0.11 2.37 1.85 -1.02 -2.01 116.66 115.13 1yrl n ARG 466 Ca -0.03 0.18 0.12 0.00 -1.00 0.00 0.00 57.85 57.12 1yrl n ARG 466 Cb 0.10 -1.50 0.15 0.00 -1.05 0.00 0.00 32.46 30.16 1yrl n ARG 466 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1yrl h SER 467 N 0.00 0.00 -3.84 2.89 0.87 -1.14 -3.40 113.55 108.94 1yrl h SER 467 Ca 0.00 -0.08 -0.54 0.00 -1.23 0.00 0.00 61.79 59.94 1yrl h SER 467 Cb 0.19 0.00 0.11 0.00 -0.44 0.00 0.00 62.40 62.25 1yrl h SER 467 CO 0.00 0.04 0.80 1.57 -0.53 0.00 0.00 176.83 178.71 1yrl n HIS 468 N -2.48 3.00 -0.33 2.24 -0.00 -0.85 -4.80 115.22 111.99 1yrl n HIS 468 Ca 0.03 0.41 0.19 0.00 -0.00 0.00 0.00 57.72 58.35 1yrl n HIS 468 Cb 0.49 -2.55 0.40 0.00 -0.00 0.00 0.00 29.99 28.33 1yrl n HIS 468 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1yrl h ALA 469 N 3.23 1.73 0.00 1.57 0.00 -1.91 0.14 119.26 124.03 1yrl h ALA 469 Ca -0.50 0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 1yrl h ALA 469 Cb 1.24 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1yrl h ALA 469 CO 0.66 -0.45 -0.39 0.97 0.00 0.00 0.00 179.25 180.04 1yrl h ILE 470 N 0.38 1.11 -0.07 0.00 2.10 -1.95 -1.89 117.51 117.19 1yrl h ILE 470 Ca 0.66 -1.43 -0.22 0.00 1.08 0.00 0.00 64.86 64.96 1yrl h ILE 470 Cb 1.39 1.81 0.00 0.00 -1.09 0.00 0.00 36.82 38.93 1yrl h ILE 470 CO -0.57 0.38 -0.84 -0.33 -1.08 0.00 0.00 178.15 175.71 1yrl h GLU 471 N 0.00 0.55 0.39 2.19 4.39 -1.05 0.44 114.58 121.49 1yrl h GLU 471 Ca -0.00 -0.50 -0.02 0.00 0.34 0.00 0.00 59.36 59.18 1yrl h GLU 471 Cb 0.78 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1yrl h GLU 471 CO 0.05 1.13 -0.19 1.96 -1.16 0.00 0.00 179.01 180.80 1yrl h GLN 472 N 0.35 -0.51 -0.72 2.33 1.08 -1.09 -1.38 115.11 115.17 1yrl h GLN 472 Ca -0.06 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.31 1yrl h GLN 472 Cb 1.45 0.11 -0.10 0.00 -0.05 0.00 0.00 27.48 28.90 1yrl h GLN 472 CO 0.15 -0.34 0.25 0.28 -0.95 0.00 0.00 178.83 178.22 1yrl h VAL 473 N -0.60 0.62 -0.35 -0.54 2.07 -1.44 -1.55 116.25 114.46 1yrl h VAL 473 Ca -0.05 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.41 1yrl h VAL 473 Cb 0.40 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 1yrl h VAL 473 CO 0.09 0.07 -0.10 1.23 0.02 0.00 0.00 177.57 178.88 1yrl h GLY 474 N 0.37 0.23 0.49 2.17 0.00 -0.84 0.10 103.07 105.60 1yrl h GLY 474 Ca 0.40 0.13 0.08 0.00 0.00 0.00 0.00 47.33 47.94 1yrl h GLY 474 CO -0.43 -0.14 0.27 1.70 0.00 0.00 0.00 176.54 177.95 1yrl h LYS 475 N -0.02 0.48 0.70 4.80 3.64 -0.22 0.32 116.57 126.27 1yrl h LYS 475 Ca 0.17 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1yrl h LYS 475 Cb 0.28 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1yrl h LYS 475 CO -0.37 0.32 -0.34 -0.22 -2.27 0.00 0.00 179.45 176.57 1yrl h LYS 476 N 0.49 -0.91 -0.48 1.90 3.64 -1.00 -1.85 116.57 118.35 1yrl h LYS 476 Ca 0.30 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1yrl h LYS 476 Cb 0.32 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1yrl h LYS 476 CO -0.26 -0.58 0.30 -0.07 -2.27 0.00 0.00 179.45 176.57 1yrl h LEU 477 N -1.16 0.57 -0.79 5.20 3.38 -0.66 -0.49 115.31 121.35 1yrl h LEU 477 Ca -0.10 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 1yrl h LEU 477 Cb 0.75 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1yrl h LEU 477 CO 0.16 0.43 -0.42 0.03 0.09 0.00 0.00 178.44 178.73 1yrl h ARG 478 N 0.66 0.40 0.56 1.13 3.08 -0.37 -2.51 114.38 117.33 1yrl h ARG 478 Ca 0.18 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1yrl h ARG 478 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1yrl h ARG 478 CO -0.04 0.75 -0.43 0.78 -1.07 0.00 0.00 179.97 179.96 1yrl h GLY 479 N 1.16 -1.20 -0.62 0.04 0.00 -0.23 0.13 103.07 102.34 1yrl h GLY 479 Ca 0.03 0.53 0.08 0.00 0.00 0.00 0.00 47.33 47.97 1yrl h GLY 479 CO 0.07 -0.38 -0.50 -0.97 0.00 0.00 0.00 176.54 174.76 1yrl h TYR 480 N -0.96 -1.53 -0.49 5.60 0.99 -1.26 0.34 116.97 119.66 1yrl h TYR 480 Ca -0.07 0.09 0.07 0.00 2.00 0.00 0.00 58.73 60.82 1yrl h TYR 480 Cb 0.80 0.76 -0.03 0.00 1.00 0.00 0.00 36.73 39.26 1yrl h TYR 480 CO -0.16 -0.43 0.33 0.52 -0.00 0.00 0.00 178.16 178.42 1yrl h MET 481 N -0.21 0.35 -0.16 4.88 2.86 -1.29 -0.63 114.93 120.72 1yrl h MET 481 Ca 0.16 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.68 1yrl h MET 481 Cb 0.54 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1yrl h MET 481 CO -0.74 0.23 -0.32 1.15 1.06 0.00 0.00 176.91 178.29 1yrl h THR 482 N 0.36 1.28 -0.06 2.22 2.02 0.25 -1.65 112.91 117.32 1yrl h THR 482 Ca 0.22 -1.33 -0.11 0.00 0.77 0.00 0.00 66.41 65.95 1yrl h THR 482 Cb 0.40 1.50 0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1yrl h THR 482 CO -0.05 0.41 -0.41 0.44 0.37 0.00 0.00 175.52 176.28 1yrl h ASP 483 N 0.28 0.47 -0.70 4.18 3.32 0.11 0.43 116.42 124.52 1yrl h ASP 483 Ca 0.04 -0.67 0.09 0.00 0.02 0.00 0.00 57.03 56.50 1yrl h ASP 483 Cb 0.71 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 40.05 1yrl h ASP 483 CO 0.05 1.07 0.35 0.24 -1.72 0.00 0.00 179.24 179.23 1yrl h MET 484 N -0.10 0.58 -0.21 3.56 2.86 -1.25 0.22 114.93 120.59 1yrl h MET 484 Ca -0.03 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.43 1yrl h MET 484 Cb 1.07 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 1yrl h MET 484 CO 0.08 0.39 -0.46 -0.22 1.06 0.00 0.00 176.91 177.76 1yrl h LYS 485 N 0.60 0.54 -0.55 1.72 3.64 -1.27 -2.70 116.57 118.56 1yrl h LYS 485 Ca 0.34 -0.30 0.09 0.00 -1.27 0.00 0.00 60.65 59.51 1yrl h LYS 485 Cb 0.34 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1yrl h LYS 485 CO -0.26 0.89 0.37 -0.09 -2.27 0.00 0.00 179.45 178.10 1yrl h ARG 486 N 0.44 0.35 -2.69 1.90 2.43 0.29 -2.66 114.38 114.44 1yrl h ARG 486 Ca 0.03 -0.02 -0.50 0.00 -0.81 0.00 0.00 59.98 58.68 1yrl h ARG 486 Cb 0.98 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1yrl h ARG 486 CO 0.09 0.23 2.43 -0.89 -1.51 0.00 0.00 179.97 180.32 1yrl n ILE 487 N -4.47 3.81 -3.35 1.20 5.41 0.08 -4.59 119.36 117.44 1yrl n ILE 487 Ca 0.09 -2.18 -0.32 0.00 1.00 0.00 0.00 62.75 61.34 1yrl n ILE 487 Cb 0.36 -2.40 -0.06 0.00 -0.71 0.00 0.00 39.64 36.84 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 3.25 4.32 -0.85 -1.39 0.00 -1.00 -5.03 120.51 119.80 1yrl n ALA 488 Ca 0.66 -4.76 0.00 0.00 0.00 0.00 0.00 53.44 49.34 1yrl n ALA 488 Cb 0.45 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1yrl n ALA 488 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83