#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bgs s GLU 2 N 0.00 0.86 -0.20 3.17 -1.05 -1.26 -4.72 118.70 115.49 3bgs s GLU 2 Ca 0.00 -0.29 -0.38 0.00 -0.15 0.00 0.00 54.97 54.15 3bgs s GLU 2 Cb 0.00 0.38 -0.14 0.00 -0.44 0.00 0.00 34.13 33.93 3bgs s GLU 2 CO 0.00 -0.28 1.77 -1.71 0.95 0.00 0.00 175.26 175.99 3bgs n ASN 3 N 0.74 2.68 0.01 0.83 2.85 -1.26 -4.84 115.26 116.27 3bgs n ASN 3 Ca -0.19 1.05 0.06 0.00 -0.11 0.00 0.00 54.58 55.38 3bgs n ASN 3 Cb 0.59 -1.21 0.25 0.00 1.24 0.00 0.00 39.78 40.64 3bgs n ASN 3 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3bgs n GLY 4 N 4.18 -0.89 3.74 8.20 0.00 -1.26 -4.73 105.19 114.43 3bgs n GLY 4 Ca 0.25 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 3bgs n GLY 4 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bgs s TYR 5 N -3.02 3.42 0.53 1.61 2.02 -1.26 -5.10 117.35 115.56 3bgs s TYR 5 Ca 0.05 0.34 -0.05 0.00 -0.37 0.00 0.00 57.07 57.05 3bgs s TYR 5 Cb 0.07 -2.15 -0.01 0.00 -0.40 0.00 0.00 41.96 39.48 3bgs s TYR 5 CO 0.21 0.32 0.82 0.95 -1.57 0.00 0.00 175.55 176.28 3bgs s THR 6 N 0.27 4.11 0.26 -0.71 -4.23 -1.26 -4.96 115.64 109.12 3bgs s THR 6 Ca 0.09 -0.02 -0.03 0.00 -1.18 0.00 0.00 61.69 60.55 3bgs s THR 6 Cb -0.11 -3.59 0.23 0.00 1.34 0.00 0.00 72.50 70.37 3bgs s THR 6 CO -0.02 -0.57 1.81 0.22 -0.54 0.00 0.00 174.62 175.53 3bgs h TYR 7 N 0.05 0.90 -0.94 3.99 3.20 -2.00 -1.17 116.97 121.01 3bgs h TYR 7 Ca -0.46 0.03 0.16 0.00 3.14 0.00 0.00 58.73 61.60 3bgs h TYR 7 Cb 1.24 -0.27 -0.10 0.00 1.54 0.00 0.00 36.73 39.14 3bgs h TYR 7 CO 0.50 0.34 0.54 1.49 -1.64 0.00 0.00 178.16 179.39 3bgs h GLU 8 N 0.80 0.72 -0.35 1.82 4.81 -1.99 -1.86 114.58 118.54 3bgs h GLU 8 Ca 0.43 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.61 3bgs h GLU 8 Cb 0.44 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3bgs h GLU 8 CO -0.27 0.48 0.19 -0.44 -0.73 0.00 0.00 179.01 178.24 3bgs h ASP 9 N 0.74 0.43 -0.45 1.04 3.32 -1.58 0.39 116.42 120.31 3bgs h ASP 9 Ca 0.51 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.42 3bgs h ASP 9 Cb 0.72 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3bgs h ASP 9 CO -0.35 0.39 0.06 1.88 -1.72 0.00 0.00 179.24 179.49 3bgs h TYR 10 N 0.44 0.81 -0.33 4.55 0.05 -1.28 -1.60 116.97 119.61 3bgs h TYR 10 Ca 0.12 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 3bgs h TYR 10 Cb 0.05 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.56 3bgs h TYR 10 CO -0.03 0.77 0.14 -0.22 -1.05 0.00 0.00 178.16 177.77 3bgs h LYS 11 N 0.62 0.48 -0.95 4.88 3.64 -1.02 -1.06 116.57 123.15 3bgs h LYS 11 Ca 0.13 -0.08 0.07 0.00 -1.27 0.00 0.00 60.65 59.51 3bgs h LYS 11 Cb 0.41 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 3bgs h LYS 11 CO 0.01 0.46 0.61 -0.91 -2.27 0.00 0.00 179.45 177.36 3bgs h ASN 12 N 0.38 0.95 -0.34 4.20 2.35 -0.10 0.25 115.58 123.27 3bgs h ASN 12 Ca 0.11 0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.72 3bgs h ASN 12 Cb 0.15 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3bgs h ASN 12 CO -0.01 0.60 -0.39 0.74 -1.65 0.00 0.00 177.43 176.72 3bgs h THR 13 N 1.07 1.27 0.04 2.81 2.02 -0.82 -2.27 112.91 117.04 3bgs h THR 13 Ca 0.42 -1.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.03 3bgs h THR 13 Cb 0.23 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3bgs h THR 13 CO -0.17 0.52 -0.02 0.00 0.37 0.00 0.00 175.52 176.22 3bgs h ALA 14 N 0.82 -0.06 -0.82 6.16 0.00 -0.57 -1.90 119.26 122.89 3bgs h ALA 14 Ca 0.06 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 54.94 3bgs h ALA 14 Cb 0.97 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.68 3bgs h ALA 14 CO 0.09 -0.33 0.36 0.93 0.00 0.00 0.00 179.25 180.30 3bgs h GLU 15 N -0.45 0.45 -0.32 0.00 5.08 -0.59 0.63 114.58 119.39 3bgs h GLU 15 Ca -0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3bgs h GLU 15 Cb 0.41 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3bgs h GLU 15 CO 0.01 0.30 0.21 2.35 -1.00 0.00 0.00 179.01 180.88 3bgs h TRP 16 N 0.47 0.40 -0.42 4.33 7.01 -1.24 -0.70 115.95 125.80 3bgs h TRP 16 Ca 0.47 0.01 -0.11 0.00 2.11 0.00 0.00 58.89 61.38 3bgs h TRP 16 Cb 0.77 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.69 3bgs h TRP 16 CO -0.14 0.25 -0.15 -0.07 -2.79 0.00 0.00 178.44 175.53 3bgs h LEU 17 N 0.43 0.86 -2.10 0.65 3.38 -0.65 -2.42 115.31 115.47 3bgs h LEU 17 Ca 0.12 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.75 3bgs h LEU 17 Cb -0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3bgs h LEU 17 CO -0.03 1.05 0.13 -0.07 0.09 0.00 0.00 178.44 179.61 3bgs h LEU 18 N 0.67 0.00 0.00 1.67 3.38 -0.66 -1.18 115.31 119.19 3bgs h LEU 18 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3bgs h LEU 18 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3bgs h LEU 18 CO 0.05 0.00 -0.55 -1.20 0.09 0.00 0.00 178.44 176.83 3bgs n SER 19 N -4.29 0.63 -0.40 -0.43 7.64 -0.29 -4.11 113.62 112.37 3bgs n SER 19 Ca 0.01 0.08 0.04 0.00 1.01 0.00 0.00 58.87 60.01 3bgs n SER 19 Cb 0.25 0.12 0.06 0.00 -1.01 0.00 0.00 64.21 63.63 3bgs n SER 19 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3bgs n HIS 20 N -1.96 0.10 -3.82 1.43 8.25 -0.50 -4.95 115.22 113.77 3bgs n HIS 20 Ca 0.04 -0.14 -0.12 0.00 -0.26 0.00 0.00 57.72 57.24 3bgs n HIS 20 Cb 0.41 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.42 3bgs n HIS 20 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3bgs s THR 21 N -0.81 0.07 -0.32 1.59 -1.32 -0.87 -5.02 115.64 108.96 3bgs s THR 21 Ca 0.13 -0.56 0.23 0.00 -1.21 0.00 0.00 61.69 60.27 3bgs s THR 21 Cb 0.08 -0.50 -0.06 0.00 -1.51 0.00 0.00 72.50 70.51 3bgs s THR 21 CO 0.12 -0.31 1.00 0.29 -2.21 0.00 0.00 174.62 173.51 3bgs n LYS 22 N 1.47 0.53 -1.66 7.08 5.02 -1.26 -4.71 118.16 124.63 3bgs n LYS 22 Ca -0.22 0.06 -0.45 0.00 -2.02 0.00 0.00 58.31 55.69 3bgs n LYS 22 Cb 0.56 -1.74 -0.02 0.00 -0.02 0.00 0.00 35.03 33.81 3bgs n LYS 22 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3bgs n HIS 23 N -2.44 2.01 -3.84 2.13 8.25 -1.26 -5.00 115.22 115.07 3bgs n HIS 23 Ca 0.00 0.52 -0.30 0.00 -0.26 0.00 0.00 57.72 57.68 3bgs n HIS 23 Cb 0.52 -2.41 -0.15 0.00 1.12 0.00 0.00 29.99 29.07 3bgs n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3bgs s ARG 24 N -0.89 1.03 0.40 -0.41 1.81 -1.26 -4.97 118.95 114.66 3bgs s ARG 24 Ca 0.64 -1.24 -0.16 0.00 -1.72 0.00 0.00 55.73 53.26 3bgs s ARG 24 Cb -0.65 -2.39 -0.09 0.00 -0.45 0.00 0.00 34.95 31.36 3bgs s ARG 24 CO 0.54 -0.90 0.84 -1.25 -0.68 0.00 0.00 175.30 173.85 3bgs s PRO 25 N 1.41 4.00 -0.09 3.54 0.04 -1.26 -4.80 135.00 137.84 3bgs s PRO 25 Ca 0.07 0.78 0.04 0.00 0.04 0.00 0.00 61.00 61.93 3bgs s PRO 25 Cb -0.18 -2.31 -0.08 0.00 0.04 0.00 0.00 34.50 31.97 3bgs s PRO 25 CO -0.17 -0.01 -0.03 0.94 0.04 0.00 0.00 177.00 177.76 3bgs n GLN 26 N -0.87 1.41 -4.50 4.56 7.27 0.13 -3.64 117.38 121.75 3bgs n GLN 26 Ca 0.05 0.03 -0.33 0.00 0.07 0.00 0.00 57.00 56.81 3bgs n GLN 26 Cb 0.54 -1.20 -0.14 0.00 2.41 0.00 0.00 30.24 31.84 3bgs n GLN 26 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3bgs s VAL 27 N -2.19 3.07 -0.17 1.69 1.01 -0.85 -0.44 120.40 122.52 3bgs s VAL 27 Ca -0.09 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 3bgs s VAL 27 Cb 0.03 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3bgs s VAL 27 CO 0.27 0.50 0.11 0.00 0.00 0.00 0.00 175.10 175.98 3bgs s ALA 28 N 0.71 3.63 -0.18 5.51 0.00 0.25 -1.36 121.76 130.33 3bgs s ALA 28 Ca -0.05 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.22 3bgs s ALA 28 Cb -0.15 -2.02 0.02 0.00 0.00 0.00 0.00 23.12 20.97 3bgs s ALA 28 CO 0.02 0.30 -0.20 0.42 0.00 0.00 0.00 175.76 176.29 3bgs s ILE 29 N -0.03 2.06 -0.40 0.00 1.01 -0.45 -0.24 121.20 123.15 3bgs s ILE 29 Ca 0.09 -0.94 -0.21 0.00 0.00 0.00 0.00 60.65 59.59 3bgs s ILE 29 Cb -0.12 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.51 3bgs s ILE 29 CO 0.00 0.54 0.67 -0.63 0.00 0.00 0.00 174.94 175.52 3bgs s ILE 30 N 1.29 4.83 -0.33 2.92 1.01 0.49 -0.92 121.20 130.49 3bgs s ILE 30 Ca 0.05 0.40 -0.25 0.00 0.00 0.00 0.00 60.65 60.85 3bgs s ILE 30 Cb -0.13 -4.16 0.01 0.00 0.01 0.00 0.00 42.46 38.18 3bgs s ILE 30 CO -0.13 -0.48 0.88 0.00 0.00 0.00 0.00 174.94 175.21 3bgs n GLY 32 N 4.23 -0.30 3.15 0.00 0.00 -1.08 -4.50 105.19 106.69 3bgs n GLY 32 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 3bgs n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3bgs s SER 33 N -1.44 0.00 -0.96 1.61 0.15 -1.26 -4.82 113.70 106.98 3bgs s SER 33 Ca 0.00 0.79 -0.03 0.00 0.70 0.00 0.00 55.95 57.41 3bgs s SER 33 Cb 0.00 1.11 0.00 0.00 -1.71 0.00 0.00 66.02 65.42 3bgs s SER 33 CO 0.00 -0.24 0.37 0.61 1.20 0.00 0.00 173.24 175.18 3bgs n GLY 34 N 5.38 -0.06 0.25 9.45 0.00 -1.26 -4.65 105.19 114.29 3bgs n GLY 34 Ca -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3bgs n GLY 34 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3bgs n LEU 35 N -2.57 0.00 -0.06 0.99 0.00 -1.26 -4.47 117.00 109.63 3bgs n LEU 35 Ca -0.07 -0.51 -0.08 0.00 0.00 0.00 0.00 56.01 55.35 3bgs n LEU 35 Cb 0.57 0.00 0.08 0.00 0.00 0.00 0.00 43.42 44.07 3bgs n LEU 35 CO 0.29 0.17 0.63 1.23 0.00 0.00 0.00 177.39 179.71 3bgs h GLY 36 N 0.00 0.77 1.34 -3.96 0.00 -1.89 -2.99 103.07 96.34 3bgs h GLY 36 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.61 3bgs h GLY 36 CO 0.00 0.66 0.22 0.61 0.00 0.00 0.00 176.54 178.02 3bgs n GLY 37 N -0.09 -0.54 0.33 4.60 0.00 -1.26 -1.93 105.19 106.30 3bgs n GLY 37 Ca -0.01 0.09 0.22 0.00 0.00 0.00 0.00 46.02 46.32 3bgs n GLY 37 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3bgs h LEU 38 N 0.00 0.00 -0.42 0.99 5.85 -1.91 0.28 115.31 120.10 3bgs h LEU 38 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3bgs h LEU 38 Cb 0.43 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3bgs h LEU 38 CO 0.00 0.00 0.00 0.71 -0.34 0.00 0.00 178.44 178.81 3bgs h THR 39 N 0.00 0.00 0.00 1.05 1.35 -1.66 -2.78 112.91 110.88 3bgs h THR 39 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3bgs h THR 39 Cb 0.02 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 3bgs h THR 39 CO 0.00 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.74 3bgs n ASP 40 N -2.36 0.00 -0.39 5.36 8.00 0.09 -2.65 116.55 124.60 3bgs n ASP 40 Ca 0.04 0.39 0.08 0.00 0.71 0.00 0.00 54.79 56.01 3bgs n ASP 40 Cb 0.34 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 3bgs n ASP 40 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3bgs n LYS 41 N -1.45 1.62 -1.97 -1.24 5.02 -1.05 -4.97 118.16 114.13 3bgs n LYS 41 Ca 0.05 -0.86 -0.33 0.00 -2.02 0.00 0.00 58.31 55.15 3bgs n LYS 41 Cb 0.19 -1.30 0.02 0.00 -0.02 0.00 0.00 35.03 33.93 3bgs n LYS 41 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3bgs s LEU 42 N -2.05 3.49 0.09 -0.35 1.43 -1.08 -4.78 118.68 115.43 3bgs s LEU 42 Ca 0.14 1.92 0.09 0.00 -1.03 0.00 0.00 54.13 55.25 3bgs s LEU 42 Cb 0.13 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.78 3bgs s LEU 42 CO 0.41 -1.34 -0.23 0.42 0.23 0.00 0.00 176.35 175.84 3bgs s THR 43 N -2.34 1.90 -1.39 5.49 -4.23 -0.68 -4.62 115.64 109.77 3bgs s THR 43 Ca 0.66 -1.53 -0.06 0.00 -1.18 0.00 0.00 61.69 59.58 3bgs s THR 43 Cb -0.18 -1.69 0.03 0.00 1.34 0.00 0.00 72.50 72.00 3bgs s THR 43 CO 0.37 0.07 0.87 0.00 -0.54 0.00 0.00 174.62 175.40 3bgs n GLN 44 N 1.24 -5.56 -2.27 3.99 3.00 -1.26 -1.60 117.38 114.91 3bgs n GLN 44 Ca -0.18 0.65 -0.42 0.00 -0.01 0.00 0.00 57.00 57.03 3bgs n GLN 44 Cb 0.53 -5.41 -0.03 0.00 0.00 0.00 0.00 30.24 25.33 3bgs n GLN 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3bgs s ALA 45 N -3.48 3.55 -0.20 -1.58 0.00 -1.26 -4.49 121.76 114.30 3bgs s ALA 45 Ca 0.31 0.86 0.01 0.00 0.00 0.00 0.00 51.96 53.14 3bgs s ALA 45 Cb -0.15 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.43 3bgs s ALA 45 CO 0.81 -0.82 -0.17 -1.14 0.00 0.00 0.00 175.76 174.44 3bgs s GLN 46 N 2.12 2.90 -0.13 0.00 0.74 0.23 -4.97 119.66 120.56 3bgs s GLN 46 Ca 0.62 -0.90 -0.12 0.00 0.05 0.00 0.00 55.36 55.01 3bgs s GLN 46 Cb -0.31 -2.65 -0.05 0.00 1.10 0.00 0.00 33.01 31.10 3bgs s GLN 46 CO 0.26 -0.27 0.27 0.42 -0.55 0.00 0.00 175.29 175.43 3bgs s ILE 47 N 1.27 5.30 -0.13 -2.34 1.01 -1.26 -0.90 121.20 124.15 3bgs s ILE 47 Ca 0.03 0.51 0.01 0.00 0.00 0.00 0.00 60.65 61.20 3bgs s ILE 47 Cb -0.14 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.76 3bgs s ILE 47 CO -0.11 0.47 -0.15 -0.36 0.00 0.00 0.00 174.94 174.79 3bgs s PHE 48 N -0.11 2.12 0.31 3.97 0.08 1.00 -5.00 117.98 120.35 3bgs s PHE 48 Ca 0.17 -1.10 -0.29 0.00 0.12 0.00 0.00 56.93 55.83 3bgs s PHE 48 Cb -0.13 -1.54 -0.10 0.00 -0.57 0.00 0.00 43.02 40.68 3bgs s PHE 48 CO 0.05 -0.58 1.23 -0.51 -0.10 0.00 0.00 175.22 175.31 3bgs s ASP 49 N 1.23 6.95 0.34 1.36 1.11 -1.26 -0.32 116.67 126.07 3bgs s ASP 49 Ca -0.01 2.53 0.07 0.00 0.18 0.00 0.00 52.55 55.32 3bgs s ASP 49 Cb -0.14 -2.64 0.75 0.00 1.07 0.00 0.00 42.92 41.96 3bgs s ASP 49 CO -0.06 -0.39 1.86 1.88 1.18 0.00 0.00 175.17 179.63 3bgs h TYR 50 N 3.53 0.90 -0.32 4.23 0.05 -1.11 -1.48 116.97 122.77 3bgs h TYR 50 Ca -0.48 0.03 0.09 0.00 0.05 0.00 0.00 58.73 58.42 3bgs h TYR 50 Cb 1.22 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.66 3bgs h TYR 50 CO 0.57 0.34 0.45 0.66 -1.05 0.00 0.00 178.16 179.12 3bgs h SER 51 N 0.77 0.00 1.03 3.88 4.64 -1.80 -1.17 113.55 120.89 3bgs h SER 51 Ca 0.46 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.72 3bgs h SER 51 Cb 0.67 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 3bgs h SER 51 CO -0.23 0.00 -1.01 -0.33 -0.87 0.00 0.00 176.83 174.39 3bgs h GLU 52 N 0.00 0.00 -5.88 4.77 5.08 -1.64 -3.46 114.58 113.44 3bgs h GLU 52 Ca 0.15 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.94 3bgs h GLU 52 Cb 1.05 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.23 3bgs h GLU 52 CO -0.00 0.14 0.08 0.42 -1.00 0.00 0.00 179.01 178.65 3bgs s ILE 53 N -3.17 5.05 0.32 3.13 1.01 -0.44 -5.01 121.20 122.08 3bgs s ILE 53 Ca -0.00 1.31 -0.29 0.00 0.00 0.00 0.00 60.65 61.67 3bgs s ILE 53 Cb 0.09 -3.99 -0.13 0.00 0.01 0.00 0.00 42.46 38.44 3bgs s ILE 53 CO 0.78 0.21 1.28 -2.65 0.00 0.00 0.00 174.94 174.57 3bgs n PRO 54 N 4.20 2.04 -0.46 2.79 -0.02 -1.26 -2.72 135.00 139.56 3bgs n PRO 54 Ca -0.02 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3bgs n PRO 54 Cb 0.51 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3bgs n PRO 54 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3bgs n ASN 55 N 1.07 0.00 -4.76 2.55 3.02 -1.26 -4.67 115.26 111.21 3bgs n ASN 55 Ca 0.06 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.21 3bgs n ASN 55 Cb 0.35 -0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 3bgs n ASN 55 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3bgs s PHE 56 N -2.87 3.07 0.37 3.10 0.40 -1.10 -4.94 117.98 116.01 3bgs s PHE 56 Ca 0.00 1.35 -0.25 0.00 -0.60 0.00 0.00 56.93 57.43 3bgs s PHE 56 Cb 0.00 -3.68 -0.13 0.00 0.51 0.00 0.00 43.02 39.72 3bgs s PHE 56 CO 0.00 -1.94 0.80 -2.30 0.70 0.00 0.00 175.22 172.48 3bgs n PRO 57 N 1.18 0.96 -4.28 0.24 -0.02 -1.26 -4.96 135.00 126.85 3bgs n PRO 57 Ca 0.01 0.34 -0.35 0.00 -2.02 0.00 0.00 63.50 61.49 3bgs n PRO 57 Cb 0.42 -1.71 -0.09 0.00 -0.02 0.00 0.00 33.50 32.10 3bgs n PRO 57 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3bgs s ARG 58 N -1.65 3.03 0.11 -0.52 1.81 -1.26 -4.87 118.95 115.60 3bgs s ARG 58 Ca 0.62 -0.40 0.02 0.00 -1.72 0.00 0.00 55.73 54.25 3bgs s ARG 58 Cb -0.64 -2.84 -0.04 0.00 -0.45 0.00 0.00 34.95 30.98 3bgs s ARG 58 CO 0.58 0.70 0.21 0.45 -0.68 0.00 0.00 175.30 176.56 3bgs s SER 59 N -1.05 6.09 0.11 0.23 0.15 -1.26 -5.05 113.70 112.93 3bgs s SER 59 Ca 0.15 0.13 -0.34 0.00 0.70 0.00 0.00 55.95 56.58 3bgs s SER 59 Cb -0.11 -1.79 -0.13 0.00 -1.71 0.00 0.00 66.02 62.27 3bgs s SER 59 CO 0.04 0.11 1.55 0.74 1.20 0.00 0.00 173.24 176.89 3bgs h THR 60 N 1.98 0.00 -3.61 6.45 2.02 -1.99 -3.18 112.91 114.57 3bgs h THR 60 Ca -0.47 0.00 -0.58 0.00 0.77 0.00 0.00 66.41 66.13 3bgs h THR 60 Cb 1.18 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.51 3bgs h THR 60 CO 0.70 0.00 0.74 -0.69 0.37 0.00 0.00 175.52 176.64 3bgs s VAL 61 N -5.73 4.40 0.46 3.16 1.01 -1.26 -4.94 120.40 117.50 3bgs s VAL 61 Ca -0.16 1.12 0.21 0.00 0.00 0.00 0.00 61.98 63.16 3bgs s VAL 61 Cb 0.07 -4.48 0.40 0.00 0.00 0.00 0.00 36.38 32.37 3bgs s VAL 61 CO 0.61 -0.80 1.90 -0.65 0.00 0.00 0.00 175.10 176.15 3bgs h PRO 62 N 8.91 0.26 0.00 2.72 0.11 -1.98 -2.26 132.00 139.75 3bgs h PRO 62 Ca -0.23 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.74 3bgs h PRO 62 Cb 1.07 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3bgs h PRO 62 CO 1.06 0.17 -0.58 0.78 -0.21 0.00 0.00 178.00 179.22 3bgs h GLY 63 N 0.27 0.00 2.00 -0.55 0.00 -1.92 -3.21 103.07 99.66 3bgs h GLY 63 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 3bgs h GLY 63 CO -0.10 0.00 0.00 0.84 0.00 0.00 0.00 176.54 177.28 3bgs h HIS 64 N 0.00 0.00 -0.72 5.60 6.17 -1.78 -2.43 115.15 121.99 3bgs h HIS 64 Ca -0.01 0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.04 3bgs h HIS 64 Cb 1.16 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 31.05 3bgs h HIS 64 CO 0.00 0.00 0.30 0.00 0.71 0.00 0.00 177.93 178.94 3bgs h ALA 65 N 2.17 1.17 0.00 5.26 0.00 -1.69 -3.49 119.26 122.68 3bgs h ALA 65 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3bgs h ALA 65 Cb 0.27 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3bgs h ALA 65 CO 0.00 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.27 3bgs n GLY 66 N -0.97 0.37 3.33 0.00 0.00 -0.92 -4.31 105.19 102.70 3bgs n GLY 66 Ca 0.07 -2.18 -0.14 0.00 0.00 0.00 0.00 46.02 43.76 3bgs n GLY 66 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3bgs s ARG 67 N 0.00 0.81 -0.13 1.61 1.70 -0.90 -0.52 118.95 121.53 3bgs s ARG 67 Ca 0.00 -0.10 -0.18 0.00 -0.47 0.00 0.00 55.73 54.99 3bgs s ARG 67 Cb 0.00 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.71 3bgs s ARG 67 CO 0.00 -0.24 0.45 -0.51 -1.08 0.00 0.00 175.30 173.92 3bgs s LEU 68 N -1.40 4.26 -0.22 -1.89 1.43 0.56 -1.66 118.68 119.77 3bgs s LEU 68 Ca -0.12 0.76 0.02 0.00 -1.03 0.00 0.00 54.13 53.76 3bgs s LEU 68 Cb -0.03 -2.65 0.04 0.00 0.03 0.00 0.00 46.19 43.58 3bgs s LEU 68 CO 0.05 0.00 -0.15 -0.69 0.23 0.00 0.00 176.35 175.80 3bgs s VAL 69 N 0.66 2.18 0.10 -1.59 1.01 -0.34 -0.00 120.40 122.42 3bgs s VAL 69 Ca 0.25 -1.29 -0.08 0.00 0.00 0.00 0.00 61.98 60.86 3bgs s VAL 69 Cb -0.15 -2.11 -0.06 0.00 0.00 0.00 0.00 36.38 34.07 3bgs s VAL 69 CO 0.09 0.24 0.38 -0.36 0.00 0.00 0.00 175.10 175.45 3bgs s PHE 70 N 1.20 3.54 -1.12 5.22 0.08 -0.08 -0.48 117.98 126.34 3bgs s PHE 70 Ca -0.02 0.69 0.00 0.00 0.12 0.00 0.00 56.93 57.72 3bgs s PHE 70 Cb -0.17 -2.09 0.00 0.00 -0.57 0.00 0.00 43.02 40.19 3bgs s PHE 70 CO -0.08 0.49 0.00 0.41 -0.10 0.00 0.00 175.22 175.94 3bgs n GLY 71 N 0.62 -0.59 3.09 4.36 0.00 -0.63 -0.60 105.19 111.44 3bgs n GLY 71 Ca -0.06 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 3bgs n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bgs s PHE 72 N -3.23 1.90 -0.18 1.61 0.08 -0.63 -1.30 117.98 116.23 3bgs s PHE 72 Ca 0.00 -0.78 0.01 0.00 0.12 0.00 0.00 56.93 56.28 3bgs s PHE 72 Cb 0.00 -1.34 0.02 0.00 -0.57 0.00 0.00 43.02 41.13 3bgs s PHE 72 CO 0.00 -0.37 -0.20 -1.17 -0.10 0.00 0.00 175.22 173.38 3bgs s LEU 73 N 0.66 2.11 -0.95 -0.37 2.96 0.27 -1.69 118.68 121.68 3bgs s LEU 73 Ca -0.14 -0.64 -0.14 0.00 -0.22 0.00 0.00 54.13 52.99 3bgs s LEU 73 Cb -0.16 -1.47 0.02 0.00 0.50 0.00 0.00 46.19 45.08 3bgs s LEU 73 CO 0.04 -0.00 0.27 -3.20 -1.32 0.00 0.00 176.35 172.14 3bgs n ASN 74 N 4.61 -1.34 0.00 3.68 5.15 -1.26 -0.33 115.26 125.77 3bgs n ASN 74 Ca -0.21 -0.91 0.00 0.00 -0.60 0.00 0.00 54.58 52.86 3bgs n ASN 74 Cb 0.50 -1.11 0.00 0.00 -0.53 0.00 0.00 39.78 38.64 3bgs n ASN 74 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3bgs n GLY 75 N -1.91 2.94 3.80 8.20 0.00 -1.26 -4.30 105.19 112.65 3bgs n GLY 75 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 3bgs n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bgs s ARG 76 N -0.03 3.98 -0.35 1.61 1.81 0.55 -5.04 118.95 121.47 3bgs s ARG 76 Ca 0.00 0.22 -0.29 0.00 -1.72 0.00 0.00 55.73 53.95 3bgs s ARG 76 Cb 0.00 -3.30 -0.00 0.00 -0.45 0.00 0.00 34.95 31.20 3bgs s ARG 76 CO 0.00 0.52 1.52 0.00 -0.68 0.00 0.00 175.30 176.66 3bgs s ALA 77 N -0.44 3.08 0.28 2.13 0.00 -1.26 -0.56 121.76 124.99 3bgs s ALA 77 Ca 0.20 0.07 0.10 0.00 0.00 0.00 0.00 51.96 52.32 3bgs s ALA 77 Cb -0.15 -3.92 -0.05 0.00 0.00 0.00 0.00 23.12 19.01 3bgs s ALA 77 CO 0.09 -2.30 -0.01 0.00 0.00 0.00 0.00 175.76 173.53 3bgs s VAL 79 N -2.38 0.56 -0.06 0.00 0.11 -0.47 -1.61 120.40 116.56 3bgs s VAL 79 Ca 0.32 -0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.38 3bgs s VAL 79 Cb -0.05 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.10 3bgs s VAL 79 CO 0.19 0.29 -0.08 -0.04 -3.33 0.00 0.00 175.10 172.13 3bgs s MET 80 N 1.81 2.67 -0.23 1.54 1.00 0.37 -1.34 119.30 125.12 3bgs s MET 80 Ca 0.04 -0.60 -0.15 0.00 0.00 0.00 0.00 55.69 54.98 3bgs s MET 80 Cb -0.12 -2.53 -0.04 0.00 0.00 0.00 0.00 34.83 32.13 3bgs s MET 80 CO -0.06 0.65 0.35 -1.64 0.00 0.00 0.00 175.02 174.33 3bgs s MET 81 N -0.85 4.10 -0.39 2.03 -1.94 -0.09 -1.19 119.30 120.95 3bgs s MET 81 Ca 0.13 0.06 -0.01 0.00 -1.71 0.00 0.00 55.69 54.16 3bgs s MET 81 Cb -0.11 -3.58 0.11 0.00 2.01 0.00 0.00 34.83 33.25 3bgs s MET 81 CO 0.02 -0.12 0.17 -1.14 -0.01 0.00 0.00 175.02 173.94 3bgs s GLN 82 N 1.57 1.90 0.00 2.03 0.74 -0.66 -2.01 119.66 123.22 3bgs s GLN 82 Ca 0.16 -1.82 0.00 0.00 0.05 0.00 0.00 55.36 53.74 3bgs s GLN 82 Cb -0.15 -3.50 0.00 0.00 1.10 0.00 0.00 33.01 30.46 3bgs s GLN 82 CO 0.08 -1.04 0.00 0.41 -0.55 0.00 0.00 175.29 174.19 3bgs n GLY 83 N 4.53 2.64 3.38 2.59 0.00 -1.26 -2.12 105.19 114.94 3bgs n GLY 83 Ca -0.01 -1.32 -0.19 0.00 0.00 0.00 0.00 46.02 44.50 3bgs n GLY 83 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3bgs s ARG 84 N -5.17 1.53 -0.08 1.61 1.70 -1.26 -4.79 118.95 112.48 3bgs s ARG 84 Ca 0.00 -1.84 -0.02 0.00 -0.47 0.00 0.00 55.73 53.41 3bgs s ARG 84 Cb 0.00 -0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 33.79 3bgs s ARG 84 CO 0.00 -0.24 -0.00 -0.06 -1.08 0.00 0.00 175.30 173.91 3bgs s PHE 85 N -3.53 3.14 0.12 5.89 0.08 -1.26 -5.07 117.98 117.35 3bgs s PHE 85 Ca 0.37 0.18 0.11 0.00 0.12 0.00 0.00 56.93 57.71 3bgs s PHE 85 Cb 0.08 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.71 3bgs s PHE 85 CO 0.15 0.46 -0.27 -1.01 -0.10 0.00 0.00 175.22 174.45 3bgs s HIS 86 N -0.87 2.27 0.29 0.36 3.76 -1.26 -4.85 115.29 114.99 3bgs s HIS 86 Ca 0.13 -0.38 0.15 0.00 -0.15 0.00 0.00 55.06 54.80 3bgs s HIS 86 Cb -0.11 -1.24 0.65 0.00 1.11 0.00 0.00 32.58 32.99 3bgs s HIS 86 CO 0.02 0.32 1.75 0.00 -0.85 0.00 0.00 174.74 175.99 3bgs h MET 87 N 3.94 0.00 0.00 1.40 -0.00 -1.82 -2.77 114.93 115.69 3bgs h MET 87 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.20 3bgs h MET 87 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.77 3bgs h MET 87 CO 0.39 0.43 0.00 0.10 -0.00 0.00 0.00 176.91 177.83 3bgs h TYR 88 N 0.00 0.00 -0.00 -0.10 -0.00 -1.88 -0.20 116.97 114.78 3bgs h TYR 88 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3bgs h TYR 88 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.56 3bgs h TYR 88 CO 0.00 0.00 -0.09 0.39 -0.00 0.00 0.00 178.16 178.46 3bgs n GLU 89 N -2.43 0.28 0.00 0.10 1.02 -1.04 -4.78 120.64 113.79 3bgs n GLU 89 Ca -0.01 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 3bgs n GLU 89 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3bgs n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bgs n GLY 90 N 1.39 0.45 3.75 0.62 0.00 -0.09 -5.06 105.19 106.24 3bgs n GLY 90 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3bgs n GLY 90 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bgs s TYR 91 N -2.00 3.59 0.77 1.61 2.02 -1.25 -5.03 117.35 117.05 3bgs s TYR 91 Ca 0.00 1.65 -0.11 0.00 -0.37 0.00 0.00 57.07 58.25 3bgs s TYR 91 Cb 0.00 -3.28 0.05 0.00 -0.40 0.00 0.00 41.96 38.33 3bgs s TYR 91 CO 0.00 -0.57 1.09 -1.25 -1.57 0.00 0.00 175.55 173.24 3bgs s PRO 92 N -0.95 2.32 0.43 -1.71 0.04 -1.26 -4.45 135.00 129.42 3bgs s PRO 92 Ca 0.47 1.14 0.22 0.00 0.04 0.00 0.00 61.00 62.87 3bgs s PRO 92 Cb -0.31 -1.91 0.97 0.00 0.04 0.00 0.00 34.50 33.30 3bgs s PRO 92 CO 0.38 -1.59 1.87 -0.07 0.04 0.00 0.00 177.00 177.63 3bgs h LEU 93 N -1.09 0.00 -0.82 -3.56 3.38 -1.94 -0.60 115.31 110.68 3bgs h LEU 93 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3bgs h LEU 93 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3bgs h LEU 93 CO 0.52 0.26 0.00 4.11 0.09 0.00 0.00 178.44 183.42 3bgs h TRP 94 N 0.00 0.00 0.01 1.13 5.08 -1.92 -2.13 115.95 118.11 3bgs h TRP 94 Ca -0.00 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 59.75 3bgs h TRP 94 Cb 0.66 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.79 3bgs h TRP 94 CO 0.00 0.00 -1.20 0.87 -1.28 0.00 0.00 178.44 176.83 3bgs h LYS 95 N 0.00 0.01 -0.98 0.12 1.57 -1.50 -3.25 116.57 112.55 3bgs h LYS 95 Ca 0.00 -0.02 0.33 0.00 -1.87 0.00 0.00 60.65 59.09 3bgs h LYS 95 Cb 0.39 0.01 -0.17 0.00 0.08 0.00 0.00 32.23 32.54 3bgs h LYS 95 CO 0.00 1.01 0.35 0.28 -0.57 0.00 0.00 179.45 180.52 3bgs h VAL 96 N -0.95 0.11 -0.31 0.50 2.07 -1.30 -2.28 116.25 114.09 3bgs h VAL 96 Ca -0.33 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3bgs h VAL 96 Cb 1.32 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3bgs h VAL 96 CO -0.18 0.02 0.00 0.35 0.02 0.00 0.00 177.57 177.78 3bgs n THR 97 N -5.29 0.45 -0.24 2.57 -2.24 -0.81 -4.56 114.28 104.16 3bgs n THR 97 Ca 0.30 -0.73 0.03 0.00 -2.27 0.00 0.00 64.05 61.38 3bgs n THR 97 Cb 0.99 1.02 0.15 0.00 -2.10 0.00 0.00 70.33 70.39 3bgs n THR 97 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3bgs h PHE 98 N 4.03 0.55 -0.44 4.78 3.57 -1.44 -1.95 116.94 126.04 3bgs h PHE 98 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3bgs h PHE 98 Cb 0.91 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 3bgs h PHE 98 CO 0.20 0.14 0.23 -1.35 -2.23 0.00 0.00 178.31 175.30 3bgs h PRO 99 N 0.51 0.61 -0.71 6.41 0.11 -1.80 -2.63 132.00 134.49 3bgs h PRO 99 Ca 0.37 -0.06 0.10 0.00 0.11 0.00 0.00 66.00 66.52 3bgs h PRO 99 Cb 0.47 -0.12 -0.07 0.00 0.11 0.00 0.00 31.00 31.38 3bgs h PRO 99 CO -0.33 0.46 0.34 0.28 -0.21 0.00 0.00 178.00 178.54 3bgs h VAL 100 N 0.61 0.81 0.00 3.15 2.07 -1.68 0.16 116.25 121.37 3bgs h VAL 100 Ca 0.16 -0.19 -0.11 0.00 0.82 0.00 0.00 66.70 67.37 3bgs h VAL 100 Cb 0.04 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 3bgs h VAL 100 CO -0.02 0.10 -0.52 0.03 0.02 0.00 0.00 177.57 177.18 3bgs h ARG 101 N 0.56 0.00 0.00 1.57 3.08 -1.52 -2.49 114.38 115.58 3bgs h ARG 101 Ca 0.36 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.41 3bgs h ARG 101 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3bgs h ARG 101 CO -0.29 0.52 -0.00 0.28 -1.07 0.00 0.00 179.97 179.41 3bgs h VAL 102 N 0.00 1.25 -0.50 2.04 2.07 -0.93 -2.75 116.25 117.44 3bgs h VAL 102 Ca -0.01 -0.73 0.10 0.00 0.82 0.00 0.00 66.70 66.88 3bgs h VAL 102 Cb 0.97 1.75 -0.10 0.00 -1.52 0.00 0.00 31.29 32.39 3bgs h VAL 102 CO 0.07 0.19 -0.24 -0.26 0.02 0.00 0.00 177.57 177.34 3bgs h PHE 103 N -0.31 -0.63 -0.72 1.57 0.04 -0.55 -0.46 116.94 115.88 3bgs h PHE 103 Ca -0.00 0.06 0.15 0.00 2.80 0.00 0.00 57.97 60.98 3bgs h PHE 103 Cb 0.31 0.35 -0.11 0.00 2.20 0.00 0.00 35.95 38.71 3bgs h PHE 103 CO 0.03 -0.32 0.17 1.25 -0.60 0.00 0.00 178.31 178.84 3bgs h HIS 104 N -0.13 0.26 0.00 -0.55 -0.00 -1.43 0.47 115.15 113.77 3bgs h HIS 104 Ca 0.23 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.64 3bgs h HIS 104 Cb 0.49 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.90 3bgs h HIS 104 CO -0.52 -0.08 0.00 1.28 -0.00 0.00 0.00 177.93 178.61 3bgs n LEU 105 N -5.16 0.00 0.05 0.26 4.77 -0.29 -1.74 117.00 114.90 3bgs n LEU 105 Ca 0.13 0.39 0.13 0.00 -0.03 0.00 0.00 56.01 56.63 3bgs n LEU 105 Cb 0.44 -0.39 0.31 0.00 -2.33 0.00 0.00 43.42 41.44 3bgs n LEU 105 CO 0.13 -0.03 0.59 0.18 -1.33 0.00 0.00 177.39 176.93 3bgs n LEU 106 N -1.39 0.60 0.00 2.23 4.77 0.08 -4.93 117.00 118.36 3bgs n LEU 106 Ca 0.10 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 3bgs n LEU 106 Cb 0.27 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3bgs n LEU 106 CO 0.23 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 3bgs n GLY 107 N 1.38 0.94 3.76 -0.72 0.00 -0.71 -4.62 105.19 105.22 3bgs n GLY 107 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3bgs n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bgs s VAL 108 N -2.00 2.14 0.00 1.61 1.01 -0.77 -4.69 120.40 117.71 3bgs s VAL 108 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3bgs s VAL 108 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.31 3bgs s VAL 108 CO 0.00 0.01 0.13 -0.90 0.00 0.00 0.00 175.10 174.34 3bgs n ASP 109 N -0.29 0.26 -3.95 3.32 5.68 0.42 -4.51 116.55 117.48 3bgs n ASP 109 Ca 0.06 -0.60 -0.15 0.00 -0.50 0.00 0.00 54.79 53.59 3bgs n ASP 109 Cb 0.42 0.61 -0.14 0.00 -1.14 0.00 0.00 41.12 40.87 3bgs n ASP 109 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3bgs s THR 110 N -0.61 0.37 -0.15 2.12 2.01 -1.07 -1.60 115.64 116.70 3bgs s THR 110 Ca 0.00 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 61.76 3bgs s THR 110 Cb 0.00 -0.33 0.01 0.00 0.01 0.00 0.00 72.50 72.20 3bgs s THR 110 CO 0.00 0.06 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.56 3bgs s LEU 111 N -0.22 2.09 -0.19 4.42 2.96 0.13 -0.58 118.68 127.29 3bgs s LEU 111 Ca 0.01 -0.61 -0.08 0.00 -0.22 0.00 0.00 54.13 53.23 3bgs s LEU 111 Cb -0.02 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 3bgs s LEU 111 CO -0.00 0.05 0.07 -0.69 -1.32 0.00 0.00 176.35 174.46 3bgs s VAL 112 N 0.96 4.78 -0.06 1.68 1.01 0.67 -1.78 120.40 127.65 3bgs s VAL 112 Ca -0.04 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 61.95 3bgs s VAL 112 Cb -0.15 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.07 3bgs s VAL 112 CO -0.05 0.44 -0.19 0.68 0.00 0.00 0.00 175.10 175.98 3bgs s VAL 113 N 0.52 1.64 0.17 2.92 -7.23 -0.72 -0.38 120.40 117.32 3bgs s VAL 113 Ca 0.03 -0.81 0.05 0.00 -1.81 0.00 0.00 61.98 59.45 3bgs s VAL 113 Cb -0.13 -1.42 -0.05 0.00 0.56 0.00 0.00 36.38 35.35 3bgs s VAL 113 CO 0.01 0.47 -0.10 0.42 -0.31 0.00 0.00 175.10 175.58 3bgs s THR 114 N 0.21 1.34 0.30 5.32 -4.23 -0.84 -2.24 115.64 115.50 3bgs s THR 114 Ca -0.10 -2.11 -0.19 0.00 -1.18 0.00 0.00 61.69 58.11 3bgs s THR 114 Cb -0.14 -1.96 0.03 0.00 1.34 0.00 0.00 72.50 71.76 3bgs s THR 114 CO 0.04 -0.65 0.72 0.54 -0.54 0.00 0.00 174.62 174.73 3bgs s ASN 115 N -3.23 -0.17 0.02 3.99 2.20 -0.94 -2.63 114.94 114.18 3bgs s ASN 115 Ca 0.20 -0.77 -0.04 0.00 -0.94 0.00 0.00 52.86 51.31 3bgs s ASN 115 Cb 0.02 0.75 -0.04 0.00 -2.00 0.00 0.00 41.25 39.98 3bgs s ASN 115 CO 0.03 -1.42 0.23 0.00 -2.94 0.00 0.00 177.10 173.00 3bgs s ALA 116 N -3.52 3.92 0.05 3.54 0.00 -1.26 -0.75 121.76 123.73 3bgs s ALA 116 Ca 0.13 -0.70 -0.09 0.00 0.00 0.00 0.00 51.96 51.30 3bgs s ALA 116 Cb -0.05 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.11 3bgs s ALA 116 CO 0.08 0.72 0.20 0.00 0.00 0.00 0.00 175.76 176.76 3bgs s ALA 117 N -1.37 -0.34 0.06 0.00 0.00 0.37 -4.75 121.76 115.73 3bgs s ALA 117 Ca 0.29 -0.34 -0.21 0.00 0.00 0.00 0.00 51.96 51.71 3bgs s ALA 117 Cb -0.13 0.32 -0.06 0.00 0.00 0.00 0.00 23.12 23.25 3bgs s ALA 117 CO 0.20 -0.39 0.61 0.20 0.00 0.00 0.00 175.76 176.37 3bgs s GLY 118 N -2.23 2.69 -0.10 0.00 0.00 -0.47 -1.70 107.32 105.52 3bgs s GLY 118 Ca -0.03 0.08 -0.26 0.00 0.00 0.00 0.00 44.72 44.51 3bgs s GLY 118 CO -0.05 0.61 0.82 -0.32 0.00 0.00 0.00 173.10 174.16 3bgs s GLY 119 N -0.85 2.43 -0.19 0.20 0.00 0.13 -1.47 107.32 107.57 3bgs s GLY 119 Ca 0.31 0.17 0.05 0.00 0.00 0.00 0.00 44.72 45.25 3bgs s GLY 119 CO 0.20 1.52 -0.12 1.04 0.00 0.00 0.00 173.10 175.74 3bgs n LEU 120 N 4.51 2.20 -4.67 0.66 4.77 0.18 -1.59 117.00 123.05 3bgs n LEU 120 Ca 0.03 -0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 3bgs n LEU 120 Cb 0.50 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3bgs n LEU 120 CO 0.49 0.73 1.51 0.21 -1.33 0.00 0.00 177.39 179.00 3bgs s ASN 121 N -5.73 6.47 0.00 -1.43 3.84 -0.57 -4.88 114.94 112.64 3bgs s ASN 121 Ca -0.23 2.66 0.12 0.00 0.21 0.00 0.00 52.86 55.62 3bgs s ASN 121 Cb 0.07 -2.55 0.51 0.00 -0.55 0.00 0.00 41.25 38.73 3bgs s ASN 121 CO 0.53 -1.01 1.38 -0.81 -2.79 0.00 0.00 177.10 174.39 3bgs n PRO 122 N 6.66 0.00 0.12 0.43 -0.04 -1.26 -2.20 135.00 138.72 3bgs n PRO 122 Ca 0.19 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 64.06 3bgs n PRO 122 Cb 0.40 -1.51 0.06 0.00 -0.04 0.00 0.00 33.50 32.41 3bgs n PRO 122 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 3bgs h LYS 123 N 0.00 0.00 -7.17 0.54 2.10 -1.99 -3.47 116.57 106.58 3bgs h LYS 123 Ca 0.00 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.12 3bgs h LYS 123 Cb 0.20 0.00 0.14 0.00 -0.90 0.00 0.00 32.23 31.67 3bgs h LYS 123 CO 0.00 0.00 0.40 -0.06 -2.00 0.00 0.00 179.45 177.79 3bgs s PHE 124 N -3.31 2.21 0.07 0.07 0.40 -0.93 -5.05 117.98 111.44 3bgs s PHE 124 Ca 0.02 1.58 0.04 0.00 -0.60 0.00 0.00 56.93 57.96 3bgs s PHE 124 Cb 0.09 -3.41 -0.03 0.00 0.51 0.00 0.00 43.02 40.18 3bgs s PHE 124 CO 0.76 -2.37 -0.11 -1.21 0.70 0.00 0.00 175.22 172.99 3bgs s GLU 125 N -3.85 0.74 0.17 0.44 2.02 -1.26 -5.01 118.70 111.94 3bgs s GLU 125 Ca 0.73 -0.95 -0.33 0.00 0.02 0.00 0.00 54.97 54.44 3bgs s GLU 125 Cb -0.28 -0.59 -0.15 0.00 0.10 0.00 0.00 34.13 33.22 3bgs s GLU 125 CO 0.43 0.12 1.35 0.28 0.02 0.00 0.00 175.26 177.45 3bgs n VAL 126 N 1.14 0.52 0.00 2.63 0.31 -1.26 -0.29 118.33 121.38 3bgs n VAL 126 Ca -0.20 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 3bgs n VAL 126 Cb 0.55 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 3bgs n VAL 126 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3bgs n GLY 127 N 2.44 2.84 3.58 2.92 0.00 0.23 -5.02 105.19 112.18 3bgs n GLY 127 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3bgs n GLY 127 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bgs n ASP 128 N 0.00 0.65 -4.40 1.61 8.00 0.60 -4.74 116.55 118.27 3bgs n ASP 128 Ca 0.00 0.91 -0.35 0.00 0.71 0.00 0.00 54.79 56.06 3bgs n ASP 128 Cb 0.00 -1.33 -0.13 0.00 -0.02 0.00 0.00 41.12 39.64 3bgs n ASP 128 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bgs s ILE 129 N -1.43 3.70 -0.28 0.53 1.01 -1.26 -1.00 121.20 122.46 3bgs s ILE 129 Ca 0.68 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.86 3bgs s ILE 129 Cb -0.50 -2.67 -0.00 0.00 0.01 0.00 0.00 42.46 39.30 3bgs s ILE 129 CO 0.53 0.44 0.09 -0.32 0.00 0.00 0.00 174.94 175.68 3bgs s MET 130 N 1.08 3.30 0.48 2.79 -2.45 0.53 -0.94 119.30 124.09 3bgs s MET 130 Ca 0.02 -0.72 -0.22 0.00 -1.25 0.00 0.00 55.69 53.51 3bgs s MET 130 Cb -0.15 -3.38 -0.07 0.00 1.25 0.00 0.00 34.83 32.48 3bgs s MET 130 CO 0.01 -0.36 1.15 -0.51 1.05 0.00 0.00 175.02 176.35 3bgs s LEU 131 N 1.55 3.95 -0.39 4.11 1.43 -0.18 -0.65 118.68 128.51 3bgs s LEU 131 Ca 0.04 2.25 -0.16 0.00 -1.03 0.00 0.00 54.13 55.23 3bgs s LEU 131 Cb -0.16 -4.33 0.01 0.00 0.03 0.00 0.00 46.19 41.73 3bgs s LEU 131 CO 0.03 -0.96 0.38 -0.63 0.23 0.00 0.00 176.35 175.40 3bgs s ILE 132 N -1.62 5.16 -0.12 -0.59 1.01 -0.16 -1.93 121.20 122.95 3bgs s ILE 132 Ca 0.66 -0.25 0.17 0.00 0.00 0.00 0.00 60.65 61.23 3bgs s ILE 132 Cb -0.27 -3.92 -0.17 0.00 0.01 0.00 0.00 42.46 38.10 3bgs s ILE 132 CO 0.32 -0.26 0.68 -1.14 0.00 0.00 0.00 174.94 174.54 3bgs n ARG 133 N 5.42 0.63 -3.88 2.79 0.63 -0.68 -4.64 116.66 116.94 3bgs n ARG 133 Ca -0.09 0.16 -0.08 0.00 -0.92 0.00 0.00 57.85 56.93 3bgs n ARG 133 Cb 0.48 -1.75 -0.02 0.00 0.45 0.00 0.00 32.46 31.62 3bgs n ARG 133 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3bgs s ASP 134 N -5.66 -0.20 0.06 6.15 -1.08 -1.23 -4.44 116.67 110.28 3bgs s ASP 134 Ca -0.04 -0.72 -0.01 0.00 -0.52 0.00 0.00 52.55 51.26 3bgs s ASP 134 Cb 0.09 0.71 -0.04 0.00 -1.46 0.00 0.00 42.92 42.22 3bgs s ASP 134 CO 0.82 -1.34 -0.02 -1.38 0.52 0.00 0.00 175.17 173.77 3bgs s HIS 135 N -3.80 0.58 -0.24 -5.34 -3.43 -1.26 -1.43 115.29 100.37 3bgs s HIS 135 Ca 0.14 -1.08 0.01 0.00 -0.80 0.00 0.00 55.06 53.32 3bgs s HIS 135 Cb -0.05 -0.41 0.04 0.00 -1.43 0.00 0.00 32.58 30.73 3bgs s HIS 135 CO 0.08 -0.39 -0.11 0.42 -2.00 0.00 0.00 174.74 172.74 3bgs s ILE 136 N -3.92 2.42 -1.21 -5.38 1.01 -0.20 -4.90 121.20 109.03 3bgs s ILE 136 Ca 0.09 -1.22 -0.13 0.00 0.00 0.00 0.00 60.65 59.40 3bgs s ILE 136 Cb 0.08 -2.24 0.18 0.00 0.01 0.00 0.00 42.46 40.49 3bgs s ILE 136 CO -0.08 0.21 1.43 -3.20 0.00 0.00 0.00 174.94 173.29 3bgs n ASN 137 N 4.57 5.26 -0.14 3.58 5.15 -1.26 -1.72 115.26 130.70 3bgs n ASN 137 Ca -0.17 -2.99 -0.08 0.00 -0.60 0.00 0.00 54.58 50.74 3bgs n ASN 137 Cb 0.46 -1.55 0.00 0.00 -0.53 0.00 0.00 39.78 38.17 3bgs n ASN 137 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3bgs h LEU 138 N 9.31 0.51 -1.02 1.20 3.38 -1.97 -2.39 115.31 124.33 3bgs h LEU 138 Ca 0.31 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.27 3bgs h LEU 138 Cb 0.86 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 3bgs h LEU 138 CO 1.24 0.41 0.65 -0.65 0.09 0.00 0.00 178.44 180.18 3bgs h PRO 139 N 0.57 1.22 -0.25 1.13 0.11 -1.85 -2.67 132.00 130.26 3bgs h PRO 139 Ca 0.15 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 3bgs h PRO 139 Cb -0.02 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 30.80 3bgs h PRO 139 CO -0.03 0.81 0.09 0.78 -0.21 0.00 0.00 178.00 179.44 3bgs h GLY 140 N 1.26 0.37 1.41 -0.55 0.00 -1.15 -1.80 103.07 102.61 3bgs h GLY 140 Ca 0.40 -0.17 0.08 0.00 0.00 0.00 0.00 47.33 47.65 3bgs h GLY 140 CO -0.13 0.16 0.22 0.74 0.00 0.00 0.00 176.54 177.53 3bgs h PHE 141 N 0.35 0.03 0.00 5.60 0.04 -1.13 -2.72 116.94 119.11 3bgs h PHE 141 Ca 0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 3bgs h PHE 141 Cb 0.10 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.24 3bgs h PHE 141 CO 0.00 0.01 -0.72 0.43 -0.60 0.00 0.00 178.31 177.44 3bgs n SER 142 N -4.45 0.62 0.00 2.17 7.64 -0.74 -4.94 113.62 113.92 3bgs n SER 142 Ca 0.04 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.60 3bgs n SER 142 Cb 0.37 0.49 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 3bgs n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bgs n GLY 143 N 1.45 1.55 3.47 0.23 0.00 -1.02 -5.04 105.19 105.83 3bgs n GLY 143 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3bgs n GLY 143 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3bgs n GLN 144 N 0.00 3.19 -4.80 1.61 1.13 -0.84 -4.85 117.38 112.81 3bgs n GLN 144 Ca 0.00 -3.28 -0.27 0.00 -1.94 0.00 0.00 57.00 51.51 3bgs n GLN 144 Cb 0.00 -3.42 -0.17 0.00 0.11 0.00 0.00 30.24 26.77 3bgs n GLN 144 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3bgs s ASN 145 N 3.91 2.19 0.62 1.08 3.84 -1.26 -2.55 114.94 122.77 3bgs s ASN 145 Ca 0.52 -0.38 0.38 0.00 0.21 0.00 0.00 52.86 53.59 3bgs s ASN 145 Cb 0.04 -0.94 2.07 0.00 -0.55 0.00 0.00 41.25 41.88 3bgs s ASN 145 CO 0.05 0.09 2.16 1.55 -2.79 0.00 0.00 177.10 178.16 3bgs h PRO 146 N 6.77 0.00 -0.01 0.43 0.13 -1.89 -1.42 132.00 136.00 3bgs h PRO 146 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3bgs h PRO 146 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3bgs h PRO 146 CO 0.47 0.00 -0.24 1.28 -0.23 0.00 0.00 178.00 179.28 3bgs n LEU 147 N -2.91 1.22 -4.60 1.56 4.77 -1.26 -4.53 117.00 111.24 3bgs n LEU 147 Ca -0.03 -0.35 -0.44 0.00 -0.03 0.00 0.00 56.01 55.16 3bgs n LEU 147 Cb 0.14 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 3bgs n LEU 147 CO 0.17 0.22 0.60 -1.14 -1.33 0.00 0.00 177.39 175.91 3bgs n ARG 148 N -0.45 1.44 0.00 3.23 0.63 -0.54 -4.74 116.66 116.23 3bgs n ARG 148 Ca 0.13 0.50 0.00 0.00 -0.92 0.00 0.00 57.85 57.56 3bgs n ARG 148 Cb 0.36 -1.92 0.00 0.00 0.45 0.00 0.00 32.46 31.36 3bgs n ARG 148 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3bgs n GLY 149 N 1.17 1.52 3.62 5.14 0.00 -1.26 -4.51 105.19 110.87 3bgs n GLY 149 Ca 0.09 -2.11 -0.44 0.00 0.00 0.00 0.00 46.02 43.56 3bgs n GLY 149 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3bgs n PRO 150 N 0.30 1.60 -3.41 1.61 -0.02 -1.26 -4.97 135.00 128.85 3bgs n PRO 150 Ca 0.00 0.56 -0.34 0.00 -2.02 0.00 0.00 63.50 61.70 3bgs n PRO 150 Cb 0.00 -2.01 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 3bgs n PRO 150 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3bgs s ASN 151 N -0.44 6.74 -0.29 2.55 2.47 -1.26 -4.98 114.94 119.73 3bgs s ASN 151 Ca 0.58 0.98 -0.04 0.00 0.42 0.00 0.00 52.86 54.81 3bgs s ASN 151 Cb -0.66 -2.25 0.03 0.00 -1.45 0.00 0.00 41.25 36.92 3bgs s ASN 151 CO 0.60 0.07 0.02 -0.62 -3.72 0.00 0.00 177.10 173.45 3bgs s ASP 152 N -1.88 4.85 0.33 -4.21 -1.08 -1.26 -4.97 116.67 108.44 3bgs s ASP 152 Ca 0.39 -0.99 0.24 0.00 -0.52 0.00 0.00 52.55 51.67 3bgs s ASP 152 Cb -0.14 -1.77 1.18 0.00 -1.46 0.00 0.00 42.92 40.73 3bgs s ASP 152 CO 0.19 -0.22 1.73 -0.33 0.52 0.00 0.00 175.17 177.07 3bgs h GLU 153 N 8.10 0.00 0.00 4.34 4.39 -1.97 -0.68 114.58 128.76 3bgs h GLU 153 Ca -0.27 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.38 3bgs h GLU 153 Cb 1.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 3bgs h GLU 153 CO 0.57 0.00 -0.20 0.00 -1.16 0.00 0.00 179.01 178.23 3bgs h ARG 154 N 0.00 0.00 0.07 2.33 3.08 -2.02 -3.11 114.38 114.73 3bgs h ARG 154 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.67 3bgs h ARG 154 Cb 0.16 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 3bgs h ARG 154 CO 0.00 0.20 -2.21 1.19 -1.07 0.00 0.00 179.97 178.07 3bgs n PHE 155 N -3.69 0.69 -3.16 3.04 3.72 -0.28 -5.10 117.46 112.68 3bgs n PHE 155 Ca -0.01 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 3bgs n PHE 155 Cb 0.32 -1.09 0.00 0.00 -0.94 0.00 0.00 39.48 37.77 3bgs n PHE 155 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bgs n GLY 156 N 2.11 -1.27 3.87 1.37 0.00 -1.07 -3.96 105.19 106.24 3bgs n GLY 156 Ca -0.38 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 3bgs n GLY 156 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bgs s ASP 157 N -3.98 6.25 0.22 1.61 1.01 -1.26 -3.89 116.67 116.62 3bgs s ASP 157 Ca 0.00 1.42 -0.08 0.00 0.71 0.00 0.00 52.55 54.60 3bgs s ASP 157 Cb 0.00 -2.47 0.17 0.00 1.01 0.00 0.00 42.92 41.63 3bgs s ASP 157 CO 0.00 -0.86 1.79 -0.09 0.21 0.00 0.00 175.17 176.23 3bgs h ARG 158 N -0.27 1.20 -2.47 8.23 1.12 -1.96 -3.35 114.38 116.87 3bgs h ARG 158 Ca -0.44 -0.20 -0.60 0.00 -1.11 0.00 0.00 59.98 57.63 3bgs h ARG 158 Cb 1.19 -0.20 -0.41 0.00 -0.01 0.00 0.00 29.97 30.54 3bgs h ARG 158 CO 0.62 0.95 -0.70 1.19 -3.11 0.00 0.00 179.97 178.92 3bgs n PHE 159 N -4.30 2.50 -2.43 2.20 3.72 -1.26 -5.05 117.46 112.84 3bgs n PHE 159 Ca 0.08 -4.04 -0.34 0.00 -0.05 0.00 0.00 57.45 53.10 3bgs n PHE 159 Cb 0.17 -0.47 -0.02 0.00 -0.94 0.00 0.00 39.48 38.22 3bgs n PHE 159 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3bgs s PRO 160 N -1.71 3.67 0.24 -1.08 0.04 -1.26 -5.02 135.00 129.89 3bgs s PRO 160 Ca 0.34 1.36 -0.14 0.00 0.04 0.00 0.00 61.00 62.60 3bgs s PRO 160 Cb 0.08 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 3bgs s PRO 160 CO -0.10 -0.54 0.64 0.00 0.04 0.00 0.00 177.00 177.05 3bgs s ALA 161 N -2.03 3.46 0.00 8.56 0.00 -1.26 -4.98 121.76 125.50 3bgs s ALA 161 Ca 0.67 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.57 3bgs s ALA 161 Cb -0.17 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.32 3bgs s ALA 161 CO 0.23 0.41 0.38 -1.33 0.00 0.00 0.00 175.76 175.45 3bgs n MET 162 N 0.12 0.43 0.28 0.00 2.81 -1.26 -4.75 117.12 114.74 3bgs n MET 162 Ca -0.00 -0.38 0.13 0.00 -1.81 0.00 0.00 57.70 55.64 3bgs n MET 162 Cb 0.52 -0.87 0.80 0.00 -0.71 0.00 0.00 33.22 32.96 3bgs n MET 162 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3bgs h SER 163 N 0.00 0.00 -0.55 7.83 4.64 -2.02 -2.08 113.55 121.38 3bgs h SER 163 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 3bgs h SER 163 Cb 0.03 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.99 3bgs h SER 163 CO 0.00 0.05 0.16 -0.90 -0.87 0.00 0.00 176.83 175.27 3bgs n ASP 164 N -3.90 3.62 -0.34 4.97 5.75 -1.26 -4.80 116.55 120.58 3bgs n ASP 164 Ca -0.03 -3.45 0.05 0.00 -0.01 0.00 0.00 54.79 51.36 3bgs n ASP 164 Cb 0.14 -0.68 0.20 0.00 -1.03 0.00 0.00 41.12 39.75 3bgs n ASP 164 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bgs h ALA 165 N 1.61 1.39 -2.54 2.12 0.00 -1.69 -3.39 119.26 116.75 3bgs h ALA 165 Ca 0.26 0.01 -0.71 0.00 0.00 0.00 0.00 54.91 54.48 3bgs h ALA 165 Cb 2.01 -0.21 -0.20 0.00 0.00 0.00 0.00 17.79 19.39 3bgs h ALA 165 CO 0.57 0.25 -0.41 0.71 0.00 0.00 0.00 179.25 180.37 3bgs s TYR 166 N -6.00 3.23 -0.48 0.00 2.02 -1.26 -4.31 117.35 110.55 3bgs s TYR 166 Ca -0.12 -0.47 -0.39 0.00 -0.37 0.00 0.00 57.07 55.72 3bgs s TYR 166 Cb 0.21 -2.60 -0.16 0.00 -0.40 0.00 0.00 41.96 39.01 3bgs s TYR 166 CO 0.80 -0.55 2.22 -3.47 -1.57 0.00 0.00 175.55 172.98 3bgs n ASP 167 N 5.20 1.35 -0.07 2.29 2.03 -0.48 -4.85 116.55 122.01 3bgs n ASP 167 Ca -0.11 0.49 -0.08 0.00 0.52 0.00 0.00 54.79 55.61 3bgs n ASP 167 Cb 0.48 -1.08 -0.02 0.00 -0.72 0.00 0.00 41.12 39.78 3bgs n ASP 167 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3bgs h ARG 168 N 11.04 -0.25 -0.73 -0.67 2.43 -1.91 -2.73 114.38 121.55 3bgs h ARG 168 Ca -0.17 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.17 3bgs h ARG 168 Cb 1.36 0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 30.86 3bgs h ARG 168 CO 1.09 -0.17 0.19 1.15 -1.51 0.00 0.00 179.97 180.72 3bgs h THR 169 N -0.26 0.53 0.00 0.20 2.02 -2.00 -1.82 112.91 111.59 3bgs h THR 169 Ca 0.15 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.23 3bgs h THR 169 Cb 0.50 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3bgs h THR 169 CO -0.44 0.05 -0.22 1.15 0.37 0.00 0.00 175.52 176.43 3bgs n MET 170 N -5.14 0.19 -0.12 6.66 0.00 -1.09 -0.76 117.12 116.86 3bgs n MET 170 Ca 0.14 0.11 -0.13 0.00 0.00 0.00 0.00 57.70 57.83 3bgs n MET 170 Cb 0.45 -1.68 -0.01 0.00 0.00 0.00 0.00 33.22 31.98 3bgs n MET 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3bgs h ARG 171 N 0.00 0.94 0.43 3.17 3.08 -1.06 -0.72 114.38 120.22 3bgs h ARG 171 Ca 0.00 -0.48 -0.02 0.00 0.07 0.00 0.00 59.98 59.55 3bgs h ARG 171 Cb 0.67 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 3bgs h ARG 171 CO 0.00 1.14 -0.23 1.96 -1.07 0.00 0.00 179.97 181.77 3bgs h GLN 172 N 0.78 -0.59 -0.00 0.04 4.20 -1.06 -2.18 115.11 116.29 3bgs h GLN 172 Ca 0.07 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3bgs h GLN 172 Cb 0.95 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.87 3bgs h GLN 172 CO 0.09 -0.40 0.01 0.00 -0.67 0.00 0.00 178.83 177.87 3bgs h ARG 173 N -0.62 0.00 0.01 1.46 3.08 -0.91 -1.43 114.38 115.96 3bgs h ARG 173 Ca -0.05 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.77 3bgs h ARG 173 Cb 0.49 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 3bgs h ARG 173 CO 0.07 0.00 -1.15 0.00 -1.07 0.00 0.00 179.97 177.82 3bgs h ALA 174 N 1.98 0.42 -0.60 0.04 0.00 -0.73 -2.97 119.26 117.39 3bgs h ALA 174 Ca 0.00 -1.02 0.02 0.00 0.00 0.00 0.00 54.91 53.91 3bgs h ALA 174 Cb 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3bgs h ALA 174 CO -0.00 1.30 0.38 -0.07 0.00 0.00 0.00 179.25 180.86 3bgs h LEU 175 N 0.00 0.64 0.00 0.00 3.38 -0.64 -2.63 115.31 116.07 3bgs h LEU 175 Ca -0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3bgs h LEU 175 Cb 1.83 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.43 3bgs h LEU 175 CO 0.12 0.45 0.00 -1.20 0.09 0.00 0.00 178.44 177.91 3bgs n SER 176 N -4.71 0.00 -0.44 -0.43 7.64 -1.14 -2.58 113.62 111.97 3bgs n SER 176 Ca 0.05 0.80 0.36 0.00 1.01 0.00 0.00 58.87 61.08 3bgs n SER 176 Cb 0.06 -0.30 0.59 0.00 -1.01 0.00 0.00 64.21 63.55 3bgs n SER 176 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3bgs n THR 177 N -1.81 -0.16 -0.07 0.44 -1.04 -1.12 -0.47 114.28 110.04 3bgs n THR 177 Ca 0.00 1.42 -0.13 0.00 -2.04 0.00 0.00 64.05 63.31 3bgs n THR 177 Cb 0.00 -2.34 -0.06 0.00 -1.82 0.00 0.00 70.33 66.11 3bgs n THR 177 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 3bgs h TRP 178 N 0.00 0.55 -0.68 -1.42 2.91 -1.20 -1.96 115.95 114.15 3bgs h TRP 178 Ca 0.74 -0.15 -0.06 0.00 1.13 0.00 0.00 58.89 60.55 3bgs h TRP 178 Cb 2.52 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 31.02 3bgs h TRP 178 CO -0.00 0.77 0.18 -0.22 -1.03 0.00 0.00 178.44 178.14 3bgs h LYS 179 N 0.16 1.07 -0.46 2.65 3.64 -0.65 -2.61 116.57 120.38 3bgs h LYS 179 Ca 0.04 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.19 3bgs h LYS 179 Cb 0.65 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3bgs h LYS 179 CO 0.04 0.94 0.30 1.96 -2.27 0.00 0.00 179.45 180.42 3bgs h GLN 180 N 1.02 0.58 0.00 1.90 1.08 -1.35 0.27 115.11 118.61 3bgs h GLN 180 Ca 0.22 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 3bgs h GLN 180 Cb 0.34 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 3bgs h GLN 180 CO -0.00 0.38 0.00 0.52 -0.95 0.00 0.00 178.83 178.78 3bgs h MET 181 N 0.59 0.00 -5.13 1.46 2.86 -0.98 -3.48 114.93 110.26 3bgs h MET 181 Ca 0.17 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.61 3bgs h MET 181 Cb -0.03 0.00 0.16 0.00 0.06 0.00 0.00 31.60 31.79 3bgs h MET 181 CO -0.04 0.00 -0.69 0.41 1.06 0.00 0.00 176.91 177.65 3bgs n GLY 182 N 0.27 -0.92 3.86 8.32 0.00 0.94 -5.01 105.19 112.64 3bgs n GLY 182 Ca 0.02 0.47 -0.37 0.00 0.00 0.00 0.00 46.02 46.14 3bgs n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bgs s GLU 183 N -4.11 3.73 0.04 1.61 0.41 -1.23 -5.03 118.70 114.13 3bgs s GLU 183 Ca 0.37 0.19 -0.22 0.00 -0.41 0.00 0.00 54.97 54.90 3bgs s GLU 183 Cb -0.05 -3.19 -0.12 0.00 -1.78 0.00 0.00 34.13 29.00 3bgs s GLU 183 CO 0.65 0.71 1.34 1.96 -0.49 0.00 0.00 175.26 179.42 3bgs h GLN 184 N 4.68 -0.70 -6.87 1.61 7.50 -1.95 -3.42 115.11 115.96 3bgs h GLN 184 Ca -0.52 0.05 -0.51 0.00 0.50 0.00 0.00 58.65 58.16 3bgs h GLN 184 Cb 1.22 0.16 0.05 0.00 0.05 0.00 0.00 27.48 28.95 3bgs h GLN 184 CO 0.61 -0.46 0.55 1.03 -1.50 0.00 0.00 178.83 179.06 3bgs s ARG 185 N -4.75 4.40 0.62 1.46 1.81 -1.26 -5.03 118.95 116.21 3bgs s ARG 185 Ca -0.11 2.00 -0.15 0.00 -1.72 0.00 0.00 55.73 55.75 3bgs s ARG 185 Cb 0.02 -3.04 -0.02 0.00 -0.45 0.00 0.00 34.95 31.46 3bgs s ARG 185 CO 0.36 -0.07 1.07 -2.00 -0.68 0.00 0.00 175.30 173.98 3bgs s GLU 186 N -1.77 3.15 -0.12 3.54 2.12 -1.26 -4.99 118.70 119.38 3bgs s GLU 186 Ca 0.49 1.21 -0.29 0.00 0.36 0.00 0.00 54.97 56.73 3bgs s GLU 186 Cb -0.35 -2.01 -0.03 0.00 0.26 0.00 0.00 34.13 32.00 3bgs s GLU 186 CO 0.46 -0.95 1.44 -1.17 -0.54 0.00 0.00 175.26 174.50 3bgs s LEU 187 N -4.73 4.24 0.65 2.70 2.96 -1.26 -4.74 118.68 118.51 3bgs s LEU 187 Ca 0.63 1.93 -0.11 0.00 -0.22 0.00 0.00 54.13 56.37 3bgs s LEU 187 Cb -0.17 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 3bgs s LEU 187 CO 0.40 -0.83 1.04 -1.10 -1.32 0.00 0.00 176.35 174.54 3bgs s GLN 188 N 3.73 3.18 -0.08 1.98 -1.52 -0.11 -4.94 119.66 121.91 3bgs s GLN 188 Ca 0.63 0.53 -0.12 0.00 -1.95 0.00 0.00 55.36 54.46 3bgs s GLN 188 Cb -0.27 -2.08 0.03 0.00 -0.22 0.00 0.00 33.01 30.47 3bgs s GLN 188 CO 0.21 -0.79 0.30 -2.00 -0.25 0.00 0.00 175.29 172.75 3bgs s GLU 189 N -5.24 0.45 0.00 2.91 2.12 -1.26 -1.01 118.70 116.67 3bgs s GLU 189 Ca 0.56 0.21 0.00 0.00 0.36 0.00 0.00 54.97 56.10 3bgs s GLU 189 Cb -0.11 0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.49 3bgs s GLU 189 CO 0.52 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.56 3bgs n GLY 190 N 2.38 -0.68 3.64 -1.50 0.00 -0.81 -4.91 105.19 103.30 3bgs n GLY 190 Ca -0.16 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 3bgs n GLY 190 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bgs s THR 191 N -3.00 4.86 -0.25 2.61 2.01 -1.26 -1.69 115.64 118.91 3bgs s THR 191 Ca 0.00 -0.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.88 3bgs s THR 191 Cb 0.00 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 3bgs s THR 191 CO 0.00 0.45 0.21 -0.47 -0.69 0.00 0.00 174.62 174.12 3bgs s TYR 192 N 0.43 3.28 -0.20 4.92 5.04 -0.52 -0.58 117.35 129.74 3bgs s TYR 192 Ca 0.04 0.24 -0.09 0.00 -2.44 0.00 0.00 57.07 54.81 3bgs s TYR 192 Cb -0.12 -2.35 -0.05 0.00 0.35 0.00 0.00 41.96 39.79 3bgs s TYR 192 CO 0.00 -0.03 0.11 0.54 -1.34 0.00 0.00 175.55 174.83 3bgs s VAL 193 N 1.38 5.26 -0.10 3.14 0.11 0.18 -1.03 120.40 129.33 3bgs s VAL 193 Ca 0.09 0.13 -0.18 0.00 -2.93 0.00 0.00 61.98 59.09 3bgs s VAL 193 Cb -0.15 -3.39 -0.04 0.00 -1.53 0.00 0.00 36.38 31.27 3bgs s VAL 193 CO 0.07 0.45 0.48 -0.32 -3.33 0.00 0.00 175.10 172.45 3bgs s MET 194 N 0.36 4.31 0.21 1.54 1.75 -0.70 -1.91 119.30 124.86 3bgs s MET 194 Ca 0.07 0.47 0.10 0.00 -1.25 0.00 0.00 55.69 55.08 3bgs s MET 194 Cb -0.11 -3.41 -0.05 0.00 2.84 0.00 0.00 34.83 34.10 3bgs s MET 194 CO -0.01 0.22 -0.19 0.14 -0.65 0.00 0.00 175.02 174.52 3bgs s VAL 195 N 0.43 2.09 0.17 10.11 -7.23 -0.39 -3.51 120.40 122.06 3bgs s VAL 195 Ca 0.26 -2.13 0.04 0.00 -1.81 0.00 0.00 61.98 58.34 3bgs s VAL 195 Cb -0.15 -2.06 -0.14 0.00 0.56 0.00 0.00 36.38 34.58 3bgs s VAL 195 CO 0.11 -0.36 1.39 0.00 -0.31 0.00 0.00 175.10 175.93 3bgs h ALA 196 N 2.83 0.55 -0.65 1.32 0.00 -1.89 -3.34 119.26 118.07 3bgs h ALA 196 Ca -0.42 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 53.76 3bgs h ALA 196 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3bgs h ALA 196 CO 0.55 0.94 0.00 0.41 0.00 0.00 0.00 179.25 181.16 3bgs n GLY 197 N 0.87 0.33 0.04 0.00 0.00 -1.26 -4.02 105.19 101.15 3bgs n GLY 197 Ca -0.03 -0.88 0.13 0.00 0.00 0.00 0.00 46.02 45.24 3bgs n GLY 197 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3bgs n PRO 198 N 0.00 0.20 -1.82 1.61 -0.04 -1.26 -4.83 135.00 128.86 3bgs n PRO 198 Ca 0.00 -0.09 -0.32 0.00 -0.04 0.00 0.00 63.50 63.05 3bgs n PRO 198 Cb 0.00 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.99 3bgs n PRO 198 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3bgs s SER 199 N -2.86 5.59 0.63 3.54 1.04 -1.26 -5.04 113.70 115.34 3bgs s SER 199 Ca 0.16 1.72 -0.08 0.00 0.48 0.00 0.00 55.95 58.23 3bgs s SER 199 Cb 0.18 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.79 3bgs s SER 199 CO 0.61 -1.30 0.98 -0.36 0.98 0.00 0.00 173.24 174.15 3bgs s PHE 200 N -2.73 3.33 0.62 5.02 0.08 -1.26 -5.03 117.98 118.00 3bgs s PHE 200 Ca 0.61 0.86 -0.15 0.00 0.12 0.00 0.00 56.93 58.38 3bgs s PHE 200 Cb -0.15 -2.84 -0.02 0.00 -0.57 0.00 0.00 43.02 39.43 3bgs s PHE 200 CO 0.45 -0.92 1.06 -1.21 -0.10 0.00 0.00 175.22 174.50 3bgs s GLU 201 N -5.14 3.21 0.81 0.44 8.01 -1.26 -5.04 118.70 119.73 3bgs s GLU 201 Ca 0.55 1.16 -0.07 0.00 0.01 0.00 0.00 54.97 56.62 3bgs s GLU 201 Cb -0.11 -2.02 0.15 0.00 -4.31 0.00 0.00 34.13 27.84 3bgs s GLU 201 CO 0.48 -0.89 1.12 0.95 0.01 0.00 0.00 175.26 176.93 3bgs s THR 202 N -2.58 2.10 0.08 3.63 -4.23 -1.26 -4.88 115.64 108.50 3bgs s THR 202 Ca 0.62 -0.34 -0.20 0.00 -1.18 0.00 0.00 61.69 60.59 3bgs s THR 202 Cb -0.16 -2.76 -0.10 0.00 1.34 0.00 0.00 72.50 70.82 3bgs s THR 202 CO 0.41 0.00 1.54 0.58 -0.54 0.00 0.00 174.62 176.61 3bgs h VAL 203 N -0.94 1.23 -0.37 2.29 2.07 -1.97 -0.61 116.25 117.95 3bgs h VAL 203 Ca -0.40 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 3bgs h VAL 203 Cb 1.26 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 3bgs h VAL 203 CO 0.41 0.24 0.14 0.00 0.02 0.00 0.00 177.57 178.38 3bgs h ALA 204 N 0.82 1.55 -0.24 1.67 0.00 -1.94 -0.98 119.26 120.14 3bgs h ALA 204 Ca 0.06 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3bgs h ALA 204 Cb 0.33 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3bgs h ALA 204 CO 0.01 0.35 -0.34 0.93 0.00 0.00 0.00 179.25 180.20 3bgs h GLU 205 N 0.53 0.65 -0.56 0.00 5.08 -1.88 -2.28 114.58 116.11 3bgs h GLU 205 Ca 0.13 -0.38 0.08 0.00 -1.00 0.00 0.00 59.36 58.18 3bgs h GLU 205 Cb 0.13 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 3bgs h GLU 205 CO -0.01 1.00 0.22 0.00 -1.00 0.00 0.00 179.01 179.21 3bgs h ARG 207 N 0.40 0.55 -0.51 0.00 3.08 -1.12 -0.08 114.38 116.71 3bgs h ARG 207 Ca 0.28 -0.08 0.10 0.00 0.07 0.00 0.00 59.98 60.34 3bgs h ARG 207 Cb 0.31 -0.10 -0.10 0.00 0.08 0.00 0.00 29.97 30.15 3bgs h ARG 207 CO -0.27 0.49 -0.24 0.28 -1.07 0.00 0.00 179.97 179.16 3bgs h VAL 208 N 0.47 0.31 -0.47 2.04 2.07 -1.00 -0.26 116.25 119.41 3bgs h VAL 208 Ca 0.13 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.54 3bgs h VAL 208 Cb 0.12 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 3bgs h VAL 208 CO -0.02 0.00 -0.13 -0.07 0.02 0.00 0.00 177.57 177.37 3bgs h LEU 209 N -0.12 0.88 -0.14 2.57 3.38 -0.80 -1.27 115.31 119.81 3bgs h LEU 209 Ca 0.23 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3bgs h LEU 209 Cb 0.49 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3bgs h LEU 209 CO -0.58 1.01 -0.02 1.56 0.09 0.00 0.00 178.44 180.50 3bgs h GLN 210 N 0.78 0.02 0.00 1.13 4.20 -0.77 -2.48 115.11 117.99 3bgs h GLN 210 Ca 0.12 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3bgs h GLN 210 Cb 0.65 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3bgs h GLN 210 CO 0.05 0.01 0.00 1.63 -0.67 0.00 0.00 178.83 179.85 3bgs n LYS 211 N -5.15 0.10 0.04 1.46 5.02 -0.13 -1.41 118.16 118.10 3bgs n LYS 211 Ca -0.04 0.37 0.13 0.00 -2.02 0.00 0.00 58.31 56.75 3bgs n LYS 211 Cb 0.09 -1.71 0.53 0.00 -0.02 0.00 0.00 35.03 33.92 3bgs n LYS 211 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3bgs n LEU 212 N -1.91 0.28 0.00 -0.35 4.77 -0.53 -4.89 117.00 114.37 3bgs n LEU 212 Ca 0.02 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 3bgs n LEU 212 Cb 0.18 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 3bgs n LEU 212 CO 0.16 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 3bgs n GLY 213 N 1.33 0.89 3.84 -0.72 0.00 -0.50 -5.08 105.19 104.95 3bgs n GLY 213 Ca 0.06 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3bgs n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bgs s ALA 214 N -2.00 3.35 -0.13 4.61 0.00 -0.97 -4.68 121.76 121.94 3bgs s ALA 214 Ca 0.00 0.08 0.08 0.00 0.00 0.00 0.00 51.96 52.12 3bgs s ALA 214 Cb 0.00 -2.79 -0.13 0.00 0.00 0.00 0.00 23.12 20.20 3bgs s ALA 214 CO 0.00 0.33 -0.01 -0.25 0.00 0.00 0.00 175.76 175.83 3bgs n ASP 215 N -0.00 2.27 -4.04 0.00 8.00 0.26 -4.38 116.55 118.66 3bgs n ASP 215 Ca 0.02 -0.02 -0.13 0.00 0.71 0.00 0.00 54.79 55.36 3bgs n ASP 215 Cb 0.52 0.49 -0.12 0.00 -0.02 0.00 0.00 41.12 41.99 3bgs n ASP 215 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bgs s ALA 216 N -2.30 0.50 -0.09 2.24 0.00 -0.78 0.49 121.76 121.84 3bgs s ALA 216 Ca -0.10 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.23 3bgs s ALA 216 Cb 0.04 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.20 3bgs s ALA 216 CO 0.45 -0.01 -0.19 0.54 0.00 0.00 0.00 175.76 176.55 3bgs s VAL 217 N -1.17 1.67 0.00 0.00 0.11 -0.54 -0.65 120.40 119.82 3bgs s VAL 217 Ca -0.08 -0.78 0.00 0.00 -2.93 0.00 0.00 61.98 58.18 3bgs s VAL 217 Cb -0.09 -1.47 0.00 0.00 -1.53 0.00 0.00 36.38 33.29 3bgs s VAL 217 CO 0.00 0.47 0.00 0.61 -3.33 0.00 0.00 175.10 172.85 3bgs n GLY 218 N 3.71 3.87 0.30 6.54 0.00 -0.80 -1.36 105.19 117.45 3bgs n GLY 218 Ca -0.20 -1.54 0.08 0.00 0.00 0.00 0.00 46.02 44.35 3bgs n GLY 218 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3bgs n MET 219 N 0.00 1.29 -0.38 1.61 2.81 -1.25 -1.27 117.12 119.93 3bgs n MET 219 Ca 0.00 -2.73 0.00 0.00 -1.81 0.00 0.00 57.70 53.16 3bgs n MET 219 Cb 0.00 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 3bgs n MET 219 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3bgs n SER 220 N -1.22 0.00 0.00 7.83 3.41 -1.26 -4.62 113.62 117.76 3bgs n SER 220 Ca 0.16 -0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 3bgs n SER 220 Cb 0.67 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 3bgs n SER 220 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3bgs n THR 221 N 0.00 0.00 -0.19 6.66 -1.04 -1.26 -4.56 114.28 113.89 3bgs n THR 221 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 3bgs n THR 221 Cb 0.00 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 3bgs n THR 221 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3bgs h VAL 222 N 0.00 0.44 -0.73 12.58 2.07 -1.97 -0.67 116.25 127.96 3bgs h VAL 222 Ca 0.00 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3bgs h VAL 222 Cb 0.00 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 3bgs h VAL 222 CO 0.00 0.00 0.39 -0.65 0.02 0.00 0.00 177.57 177.34 3bgs h PRO 223 N 0.03 1.02 -0.61 1.57 0.11 -1.98 -0.02 132.00 132.12 3bgs h PRO 223 Ca 0.29 -0.12 0.03 0.00 0.11 0.00 0.00 66.00 66.31 3bgs h PRO 223 Cb 0.45 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 31.32 3bgs h PRO 223 CO -0.58 0.77 0.36 0.93 -0.21 0.00 0.00 178.00 179.27 3bgs h GLU 224 N 1.01 0.69 -0.41 1.05 3.07 -1.68 -1.53 114.58 116.78 3bgs h GLU 224 Ca 0.26 -0.04 0.02 0.00 -0.50 0.00 0.00 59.36 59.10 3bgs h GLU 224 Cb 0.05 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 27.78 3bgs h GLU 224 CO -0.04 0.46 0.22 0.28 -1.40 0.00 0.00 179.01 178.53 3bgs h VAL 225 N 0.71 1.01 -0.83 3.13 2.07 -0.71 0.38 116.25 122.01 3bgs h VAL 225 Ca 0.25 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.63 3bgs h VAL 225 Cb 0.05 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 3bgs h VAL 225 CO -0.11 0.08 0.55 0.40 0.02 0.00 0.00 177.57 178.50 3bgs h ILE 226 N 0.46 1.18 -0.10 4.57 2.04 -0.73 0.49 117.51 125.42 3bgs h ILE 226 Ca 0.17 -0.38 -0.20 0.00 1.00 0.00 0.00 64.86 65.45 3bgs h ILE 226 Cb 0.04 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 3bgs h ILE 226 CO -0.10 0.20 -0.76 0.58 0.00 0.00 0.00 178.15 178.08 3bgs h VAL 227 N 1.09 1.35 0.47 1.67 2.07 -0.74 -1.61 116.25 120.55 3bgs h VAL 227 Ca 0.32 -2.10 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 3bgs h VAL 227 Cb -0.07 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 3bgs h VAL 227 CO -0.09 0.64 -0.38 0.00 0.02 0.00 0.00 177.57 177.77 3bgs h ALA 228 N 0.80 -0.88 -0.90 1.67 0.00 0.21 -2.16 119.26 118.01 3bgs h ALA 228 Ca -0.04 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.81 3bgs h ALA 228 Cb 1.35 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 19.60 3bgs h ALA 228 CO 0.14 -1.02 0.58 0.00 0.00 0.00 0.00 179.25 178.95 3bgs h ARG 229 N -0.84 0.87 -0.36 0.00 2.47 -0.91 -1.16 114.38 114.44 3bgs h ARG 229 Ca -0.05 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.58 3bgs h ARG 229 Cb 0.72 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.83 3bgs h ARG 229 CO -0.01 0.57 0.05 1.25 0.56 0.00 0.00 179.97 182.39 3bgs h HIS 230 N 0.89 0.56 -0.22 3.04 2.76 -0.95 -2.77 115.15 118.46 3bgs h HIS 230 Ca 0.42 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 3bgs h HIS 230 Cb 0.41 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.21 3bgs h HIS 230 CO -0.00 0.52 0.00 0.00 -1.30 0.00 0.00 177.93 177.14 3bgs n GLY 232 N 1.40 0.78 3.78 0.00 0.00 -0.82 -4.95 105.19 105.37 3bgs n GLY 232 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3bgs n GLY 232 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bgs s LEU 233 N 0.00 3.76 0.18 0.99 1.02 -0.74 -4.97 118.68 118.92 3bgs s LEU 233 Ca 0.00 2.16 -0.21 0.00 0.02 0.00 0.00 54.13 56.10 3bgs s LEU 233 Cb 0.00 -4.57 -0.08 0.00 0.02 0.00 0.00 46.19 41.56 3bgs s LEU 233 CO 0.00 -1.18 0.71 -0.60 0.02 0.00 0.00 176.35 175.31 3bgs s ARG 234 N -3.26 4.35 -0.03 1.70 3.52 -0.63 -4.37 118.95 120.23 3bgs s ARG 234 Ca 0.72 0.94 0.03 0.00 -0.13 0.00 0.00 55.73 57.29 3bgs s ARG 234 Cb -0.23 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.08 3bgs s ARG 234 CO 0.27 0.50 -0.10 0.08 -0.81 0.00 0.00 175.30 175.23 3bgs s VAL 235 N -1.32 0.91 0.01 7.11 1.01 -1.26 0.19 120.40 127.06 3bgs s VAL 235 Ca 0.38 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.96 3bgs s VAL 235 Cb -0.19 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 3bgs s VAL 235 CO 0.22 0.28 -0.07 0.12 0.00 0.00 0.00 175.10 175.66 3bgs s PHE 236 N 0.22 0.58 0.22 5.22 5.36 -0.74 -1.39 117.98 127.45 3bgs s PHE 236 Ca -0.04 -0.26 -0.18 0.00 -0.96 0.00 0.00 56.93 55.49 3bgs s PHE 236 Cb -0.10 -0.36 0.03 0.00 -0.34 0.00 0.00 43.02 42.25 3bgs s PHE 236 CO 0.01 -0.04 0.57 0.20 -1.46 0.00 0.00 175.22 174.51 3bgs s GLY 237 N -0.72 -0.05 0.18 13.12 0.00 -1.26 -1.76 107.32 116.83 3bgs s GLY 237 Ca -0.03 -0.27 -0.14 0.00 0.00 0.00 0.00 44.72 44.29 3bgs s GLY 237 CO 0.00 -0.23 0.41 -0.11 0.00 0.00 0.00 173.10 173.17 3bgs s PHE 238 N -3.89 0.10 -0.04 1.90 -0.12 -0.95 -0.98 117.98 113.99 3bgs s PHE 238 Ca 0.11 -0.46 0.07 0.00 -0.05 0.00 0.00 56.93 56.60 3bgs s PHE 238 Cb -0.02 0.18 -0.02 0.00 -0.63 0.00 0.00 43.02 42.54 3bgs s PHE 238 CO 0.00 -0.82 -0.25 -1.12 -0.05 0.00 0.00 175.22 172.99 3bgs s SER 239 N -2.91 3.13 -0.21 1.98 0.01 0.18 -2.20 113.70 113.68 3bgs s SER 239 Ca 0.12 -0.47 -0.22 0.00 1.31 0.00 0.00 55.95 56.70 3bgs s SER 239 Cb 0.01 -0.62 -0.02 0.00 0.21 0.00 0.00 66.02 65.60 3bgs s SER 239 CO -0.02 0.29 0.67 -0.22 0.41 0.00 0.00 173.24 174.36 3bgs s LEU 240 N -0.40 4.13 -0.52 2.44 2.96 0.07 -0.35 118.68 127.01 3bgs s LEU 240 Ca 0.04 0.87 -0.28 0.00 -0.22 0.00 0.00 54.13 54.53 3bgs s LEU 240 Cb -0.12 -2.95 0.02 0.00 0.50 0.00 0.00 46.19 43.64 3bgs s LEU 240 CO 0.01 -0.33 1.27 -0.63 -1.32 0.00 0.00 176.35 175.36 3bgs s ILE 241 N 2.12 3.99 -0.62 6.68 -1.09 -0.17 -0.48 121.20 131.63 3bgs s ILE 241 Ca 0.30 0.93 0.22 0.00 -2.23 0.00 0.00 60.65 59.88 3bgs s ILE 241 Cb -0.16 -4.53 -0.19 0.00 -1.58 0.00 0.00 42.46 36.00 3bgs s ILE 241 CO 0.10 -1.11 0.88 0.35 -1.23 0.00 0.00 174.94 173.93 3bgs n THR 242 N 6.84 0.08 -3.46 2.92 -2.24 -0.69 -0.60 114.28 117.13 3bgs n THR 242 Ca 0.12 -0.21 -0.10 0.00 -2.27 0.00 0.00 64.05 61.58 3bgs n THR 242 Cb 0.49 0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 69.11 3bgs n THR 242 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3bgs s ASN 243 N -3.74 -0.48 -0.26 3.42 4.22 -1.26 -4.67 114.94 112.18 3bgs s ASN 243 Ca 0.03 -0.02 -0.07 0.00 -2.14 0.00 0.00 52.86 50.66 3bgs s ASN 243 Cb 0.15 0.52 -0.02 0.00 1.28 0.00 0.00 41.25 43.18 3bgs s ASN 243 CO 0.84 -0.85 0.07 -0.54 -2.04 0.00 0.00 177.10 174.58 3bgs s LYS 244 N -3.52 3.58 0.31 3.55 1.02 -1.26 0.22 119.74 123.62 3bgs s LYS 244 Ca 0.03 -0.53 -0.30 0.00 0.02 0.00 0.00 55.97 55.19 3bgs s LYS 244 Cb -0.01 -3.33 -0.11 0.00 -0.52 0.00 0.00 37.83 33.86 3bgs s LYS 244 CO -0.11 -0.22 1.55 0.14 -0.92 0.00 0.00 175.35 175.78 3bgs s VAL 245 N 1.60 2.15 0.05 3.17 -7.23 -0.62 -4.85 120.40 114.67 3bgs s VAL 245 Ca 0.06 0.13 -0.30 0.00 -1.81 0.00 0.00 61.98 60.06 3bgs s VAL 245 Cb -0.15 -3.08 -0.09 0.00 0.56 0.00 0.00 36.38 33.61 3bgs s VAL 245 CO 0.03 0.02 1.95 -0.38 -0.31 0.00 0.00 175.10 176.42 3bgs n ILE 246 N 1.82 0.69 -0.36 -0.62 2.08 -1.26 -4.90 119.36 116.81 3bgs n ILE 246 Ca 0.06 -0.12 0.04 0.00 0.56 0.00 0.00 62.75 63.28 3bgs n ILE 246 Cb 0.38 -2.28 0.06 0.00 -0.75 0.00 0.00 39.64 37.05 3bgs n ILE 246 CO 0.00 0.00 0.00 1.15 0.56 0.00 0.00 176.55 178.26 3bgs n MET 247 N 7.17 2.49 -3.76 0.38 0.00 -1.26 -4.46 117.12 117.68 3bgs n MET 247 Ca 0.20 -1.90 -0.12 0.00 0.00 0.00 0.00 57.70 55.88 3bgs n MET 247 Cb 0.40 -1.20 -0.07 0.00 0.00 0.00 0.00 33.22 32.35 3bgs n MET 247 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 3bgs s ASP 248 N -1.58 -0.12 0.47 3.17 -4.77 -1.26 -4.97 116.67 107.62 3bgs s ASP 248 Ca 0.13 -0.19 0.27 0.00 -3.30 0.00 0.00 52.55 49.45 3bgs s ASP 248 Cb 0.10 0.35 0.78 0.00 -1.09 0.00 0.00 42.92 43.07 3bgs s ASP 248 CO 0.02 -0.61 1.77 1.88 0.70 0.00 0.00 175.17 178.93 3bgs h TYR 249 N 3.25 0.00 -0.43 2.11 0.05 -2.00 -3.22 116.97 116.74 3bgs h TYR 249 Ca -0.32 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.35 3bgs h TYR 249 Cb 1.20 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.92 3bgs h TYR 249 CO 0.46 0.06 -0.20 0.93 -1.05 0.00 0.00 178.16 178.35 3bgs h GLU 250 N 0.00 0.85 -6.45 4.88 3.07 -2.02 -3.45 114.58 111.45 3bgs h GLU 250 Ca -0.00 -0.34 -0.60 0.00 -0.50 0.00 0.00 59.36 57.92 3bgs h GLU 250 Cb 0.81 -0.04 0.12 0.00 -0.84 0.00 0.00 28.75 28.80 3bgs h GLU 250 CO 0.01 0.98 -0.02 0.45 -1.40 0.00 0.00 179.01 179.02 3bgs n SER 251 N -4.12 0.63 -0.70 1.42 2.88 -1.22 -4.89 113.62 107.64 3bgs n SER 251 Ca 0.00 1.08 0.06 0.00 -1.33 0.00 0.00 58.87 58.69 3bgs n SER 251 Cb 0.43 -1.24 0.16 0.00 -0.75 0.00 0.00 64.21 62.81 3bgs n SER 251 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3bgs n LEU 252 N 1.10 2.93 -4.92 2.46 7.94 -1.26 -4.99 117.00 120.26 3bgs n LEU 252 Ca 0.11 -1.89 -0.27 0.00 -1.11 0.00 0.00 56.01 52.85 3bgs n LEU 252 Cb 0.35 -0.23 -0.02 0.00 0.53 0.00 0.00 43.42 44.05 3bgs n LEU 252 CO 0.58 0.72 0.23 -1.61 -1.11 0.00 0.00 177.39 176.20 3bgs s GLU 253 N -1.01 3.58 0.03 1.96 2.02 -1.26 -5.11 118.70 118.91 3bgs s GLU 253 Ca 0.25 -0.06 0.01 0.00 0.02 0.00 0.00 54.97 55.19 3bgs s GLU 253 Cb 0.13 -2.61 -0.02 0.00 0.10 0.00 0.00 34.13 31.73 3bgs s GLU 253 CO 0.18 0.13 -0.06 0.15 0.02 0.00 0.00 175.26 175.68 3bgs s LYS 254 N -3.96 0.44 0.49 1.61 1.02 -1.26 -4.95 119.74 113.13 3bgs s LYS 254 Ca 0.43 -0.62 -0.22 0.00 0.02 0.00 0.00 55.97 55.58 3bgs s LYS 254 Cb -0.10 -0.19 -0.06 0.00 -0.52 0.00 0.00 37.83 36.96 3bgs s LYS 254 CO 0.34 0.03 1.23 0.00 -0.92 0.00 0.00 175.35 176.02 3bgs s ALA 255 N -1.19 2.90 -0.04 5.17 0.00 -1.26 -5.03 121.76 122.30 3bgs s ALA 255 Ca -0.10 1.06 -0.27 0.00 0.00 0.00 0.00 51.96 52.65 3bgs s ALA 255 Cb -0.09 -3.44 0.06 0.00 0.00 0.00 0.00 23.12 19.65 3bgs s ALA 255 CO -0.00 -0.91 0.58 0.54 0.00 0.00 0.00 175.76 175.98 3bgs s ASN 256 N -1.25 -0.54 0.38 0.00 4.22 -1.26 -5.04 114.94 111.45 3bgs s ASN 256 Ca 0.67 0.56 0.11 0.00 -2.14 0.00 0.00 52.86 52.06 3bgs s ASN 256 Cb -0.32 0.48 0.76 0.00 1.28 0.00 0.00 41.25 43.45 3bgs s ASN 256 CO 0.39 -0.57 1.87 -0.74 -2.04 0.00 0.00 177.10 176.01 3bgs h HIS 257 N 3.22 0.11 -0.07 1.54 -0.00 -1.99 -2.53 115.15 115.44 3bgs h HIS 257 Ca -0.28 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.07 3bgs h HIS 257 Cb 1.15 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 28.53 3bgs h HIS 257 CO 0.42 0.36 0.02 1.49 -0.00 0.00 0.00 177.93 180.22 3bgs h GLU 258 N 0.10 0.11 -0.35 5.26 4.81 -1.98 -0.25 114.58 122.27 3bgs h GLU 258 Ca 0.01 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3bgs h GLU 258 Cb 0.52 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 3bgs h GLU 258 CO 0.04 0.28 0.11 1.49 -0.73 0.00 0.00 179.01 180.20 3bgs h GLU 259 N -0.09 0.49 -0.18 1.92 4.22 -1.95 0.75 114.58 119.74 3bgs h GLU 259 Ca 0.02 -0.07 -0.05 0.00 0.08 0.00 0.00 59.36 59.35 3bgs h GLU 259 Cb 0.22 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3bgs h GLU 259 CO -0.00 0.43 -0.08 0.28 -2.18 0.00 0.00 179.01 177.46 3bgs h VAL 260 N 0.49 1.31 -0.13 0.32 2.07 -1.19 -2.23 116.25 116.89 3bgs h VAL 260 Ca 0.12 -1.12 -0.07 0.00 0.82 0.00 0.00 66.70 66.46 3bgs h VAL 260 Cb 0.14 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3bgs h VAL 260 CO -0.01 0.33 -0.22 -0.07 0.02 0.00 0.00 177.57 177.63 3bgs h LEU 261 N 0.06 0.21 0.51 2.57 3.38 -0.74 -1.95 115.31 119.35 3bgs h LEU 261 Ca 0.04 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3bgs h LEU 261 Cb 0.55 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3bgs h LEU 261 CO 0.02 0.44 -0.24 0.00 0.09 0.00 0.00 178.44 178.75 3bgs h ALA 262 N 1.58 -0.68 -0.94 1.53 0.00 -0.76 -1.65 119.26 118.34 3bgs h ALA 262 Ca 0.04 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 54.94 3bgs h ALA 262 Cb 0.50 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 3bgs h ALA 262 CO 0.03 -0.79 0.60 0.00 0.00 0.00 0.00 179.25 179.10 3bgs h ALA 263 N -0.48 1.89 -0.04 0.00 0.00 -1.38 -0.15 119.26 119.11 3bgs h ALA 263 Ca -0.07 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3bgs h ALA 263 Cb 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3bgs h ALA 263 CO 0.11 -0.19 -0.03 0.78 0.00 0.00 0.00 179.25 179.92 3bgs h GLY 264 N 0.64 0.00 0.65 0.00 0.00 -1.10 -2.18 103.07 101.07 3bgs h GLY 264 Ca 0.50 0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.92 3bgs h GLY 264 CO -0.25 -0.04 0.13 0.50 0.00 0.00 0.00 176.54 176.87 3bgs h LYS 265 N -0.04 0.27 -0.22 4.80 1.79 -0.08 -2.43 116.57 120.65 3bgs h LYS 265 Ca 0.03 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.50 3bgs h LYS 265 Cb 0.08 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 3bgs h LYS 265 CO -0.07 0.18 0.11 1.96 -1.08 0.00 0.00 179.45 180.55 3bgs h GLN 266 N 0.28 0.23 -0.06 3.15 1.08 -1.22 -2.74 115.11 115.82 3bgs h GLN 266 Ca 0.18 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 3bgs h GLN 266 Cb 0.16 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 3bgs h GLN 266 CO -0.19 0.15 0.00 0.00 -0.95 0.00 0.00 178.83 177.84 3bgs n ALA 267 N -2.21 2.57 0.17 3.87 0.00 -0.83 -4.37 120.51 119.71 3bgs n ALA 267 Ca -0.02 -0.23 -0.11 0.00 0.00 0.00 0.00 53.44 53.07 3bgs n ALA 267 Cb 0.06 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.25 3bgs n ALA 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bgs h ALA 268 N 3.64 -0.98 -0.20 0.00 0.00 -1.12 -1.48 119.26 119.13 3bgs h ALA 268 Ca 0.00 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3bgs h ALA 268 Cb 0.15 0.56 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 3bgs h ALA 268 CO 0.00 -1.01 -0.18 1.96 0.00 0.00 0.00 179.25 180.02 3bgs h GLN 269 N -0.60 -0.19 -0.83 0.00 1.08 -1.81 -1.94 115.11 110.81 3bgs h GLN 269 Ca -0.04 0.01 0.20 0.00 -1.45 0.00 0.00 58.65 57.37 3bgs h GLN 269 Cb 0.53 0.04 -0.12 0.00 -0.05 0.00 0.00 27.48 27.88 3bgs h GLN 269 CO -0.05 -0.13 0.28 -0.22 -0.95 0.00 0.00 178.83 177.77 3bgs h LYS 270 N -0.20 0.31 -0.14 1.46 3.64 -1.82 -1.33 116.57 118.50 3bgs h LYS 270 Ca 0.12 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 3bgs h LYS 270 Cb 0.38 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3bgs h LYS 270 CO -0.32 0.21 -0.11 -0.07 -2.27 0.00 0.00 179.45 176.89 3bgs h LEU 271 N 0.32 0.33 -1.04 5.20 3.38 -0.63 -0.68 115.31 122.20 3bgs h LEU 271 Ca 0.50 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3bgs h LEU 271 Cb 0.92 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 3bgs h LEU 271 CO -0.54 0.72 0.12 -0.33 0.09 0.00 0.00 178.44 178.50 3bgs h GLU 272 N -0.05 0.80 0.50 1.13 5.08 -0.99 -0.55 114.58 120.51 3bgs h GLU 272 Ca 0.02 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 3bgs h GLU 272 Cb 0.62 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3bgs h GLU 272 CO 0.03 0.73 -0.24 0.37 -1.00 0.00 0.00 179.01 178.90 3bgs h GLN 273 N 0.78 -0.65 -0.67 2.33 4.15 -1.25 -1.79 115.11 118.00 3bgs h GLN 273 Ca 0.17 0.04 0.13 0.00 0.77 0.00 0.00 58.65 59.76 3bgs h GLN 273 Cb 0.30 0.15 -0.13 0.00 0.21 0.00 0.00 27.48 28.01 3bgs h GLN 273 CO -0.00 -0.35 -0.26 0.35 -1.93 0.00 0.00 178.83 176.65 3bgs h PHE 274 N -0.97 -0.65 -0.41 3.99 3.57 -0.88 -1.35 116.94 120.25 3bgs h PHE 274 Ca -0.07 0.07 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 3bgs h PHE 274 Cb 0.61 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 3bgs h PHE 274 CO 0.01 -0.35 -0.28 0.28 -2.23 0.00 0.00 178.31 175.74 3bgs h VAL 275 N -0.07 1.27 -0.11 1.41 2.07 -1.13 -2.87 116.25 116.81 3bgs h VAL 275 Ca 0.30 -1.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 3bgs h VAL 275 Cb 0.54 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3bgs h VAL 275 CO -0.72 0.48 0.07 -1.28 0.02 0.00 0.00 177.57 176.14 3bgs h SER 276 N 0.74 0.13 -0.69 0.57 0.87 -0.35 -2.79 113.55 112.03 3bgs h SER 276 Ca 0.09 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3bgs h SER 276 Cb 0.83 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.73 3bgs h SER 276 CO 0.07 0.13 0.42 0.40 -0.53 0.00 0.00 176.83 177.32 3bgs h ILE 277 N 0.12 1.20 -0.16 2.23 2.04 -1.40 -2.57 117.51 118.97 3bgs h ILE 277 Ca 0.04 -0.43 0.05 0.00 1.00 0.00 0.00 64.86 65.52 3bgs h ILE 277 Cb 0.02 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 3bgs h ILE 277 CO -0.01 0.20 0.13 0.25 0.00 0.00 0.00 178.15 178.73 3bgs h LEU 278 N 0.94 0.00 -0.92 1.44 5.85 -1.35 -2.05 115.31 119.23 3bgs h LEU 278 Ca 0.25 0.00 0.16 0.00 0.84 0.00 0.00 57.88 59.13 3bgs h LEU 278 Cb -0.03 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 40.90 3bgs h LEU 278 CO -0.05 0.00 0.51 0.24 -0.34 0.00 0.00 178.44 178.80 3bgs h MET 279 N 0.00 0.67 0.00 1.25 2.86 -1.19 -0.65 114.93 117.88 3bgs h MET 279 Ca 0.08 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3bgs h MET 279 Cb 0.34 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 3bgs h MET 279 CO -0.00 0.44 -0.00 0.00 1.06 0.00 0.00 176.91 178.41 3bgs h ALA 280 N 1.59 1.57 0.00 6.32 0.00 -1.53 -1.62 119.26 125.59 3bgs h ALA 280 Ca 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3bgs h ALA 280 Cb 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3bgs h ALA 280 CO -0.37 0.00 -0.48 0.43 0.00 0.00 0.00 179.25 178.84 3bgs n SER 281 N -3.91 0.57 -4.70 0.00 7.64 -0.27 -4.80 113.62 108.15 3bgs n SER 281 Ca -0.03 0.08 -0.42 0.00 1.01 0.00 0.00 58.87 59.51 3bgs n SER 281 Cb 0.08 0.05 -0.03 0.00 -1.01 0.00 0.00 64.21 63.30 3bgs n SER 281 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3bgs s ILE 282 N -3.09 4.00 0.60 0.44 1.01 -0.61 -4.97 121.20 118.57 3bgs s ILE 282 Ca 0.09 1.40 -0.19 0.00 0.00 0.00 0.00 60.65 61.95 3bgs s ILE 282 Cb 0.15 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 3bgs s ILE 282 CO 0.69 0.06 0.99 -2.65 0.00 0.00 0.00 174.94 174.02 3bgs n PRO 283 N 4.58 0.94 -1.71 2.79 -0.02 -1.26 -4.97 135.00 135.34 3bgs n PRO 283 Ca 0.10 0.36 -0.31 0.00 -2.02 0.00 0.00 63.50 61.63 3bgs n PRO 283 Cb 0.46 -2.19 0.04 0.00 -0.02 0.00 0.00 33.50 31.78 3bgs n PRO 283 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3bgs s LEU 284 N -2.13 3.24 0.62 2.45 1.43 -1.26 -5.03 118.68 118.00 3bgs s LEU 284 Ca 0.76 1.68 -0.14 0.00 -1.03 0.00 0.00 54.13 55.39 3bgs s LEU 284 Cb -0.42 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.27 3bgs s LEU 284 CO 0.47 -1.36 1.05 -2.16 0.23 0.00 0.00 176.35 174.58 3bgs s PRO 285 N -4.75 3.28 0.00 1.29 0.04 -1.26 -5.23 135.00 128.36 3bgs s PRO 285 Ca 0.60 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.70 3bgs s PRO 285 Cb -0.15 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3bgs s PRO 285 CO 0.50 -0.83 0.00 -3.47 0.04 0.00 0.00 177.00 173.23