#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsa n ASN 5 N 0.00 0.03 -4.96 4.38 6.94 -1.26 -4.79 115.26 115.60 1bsa n ASN 5 Ca 0.00 -1.91 -0.23 0.00 -0.02 0.00 0.00 54.58 52.42 1bsa n ASN 5 Cb 0.00 -0.18 -0.02 0.00 -2.36 0.00 0.00 39.78 37.21 1bsa n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1bsa s THR 6 N 0.00 5.28 0.17 5.53 -4.23 -1.26 -0.40 115.64 120.73 1bsa s THR 6 Ca 0.01 -0.85 -0.15 0.00 -1.18 0.00 0.00 61.69 59.52 1bsa s THR 6 Cb 0.01 -3.81 0.09 0.00 1.34 0.00 0.00 72.50 70.13 1bsa s THR 6 CO -0.01 -0.25 1.69 -0.26 -0.54 0.00 0.00 174.62 175.26 1bsa h PHE 7 N 1.53 -0.03 -0.13 3.99 0.04 -1.98 0.61 116.94 120.96 1bsa h PHE 7 Ca -0.51 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.16 1bsa h PHE 7 Cb 1.22 0.08 0.00 0.00 2.20 0.00 0.00 35.95 39.45 1bsa h PHE 7 CO 0.48 -0.09 -0.43 -0.44 -0.60 0.00 0.00 178.31 177.23 1bsa h ASP 8 N 0.10 0.60 0.13 2.17 3.32 -1.99 -1.74 116.42 119.02 1bsa h ASP 8 Ca 0.21 -0.61 0.01 0.00 0.02 0.00 0.00 57.03 56.66 1bsa h ASP 8 Cb 0.30 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1bsa h ASP 8 CO -0.35 1.11 -0.19 1.23 -1.72 0.00 0.00 179.24 179.31 1bsa h GLY 9 N 0.14 -0.37 1.09 2.75 0.00 -1.88 -1.85 103.07 102.96 1bsa h GLY 9 Ca -0.02 0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.42 1bsa h GLY 9 CO 0.09 -0.18 -0.08 -2.08 0.00 0.00 0.00 176.54 174.29 1bsa h VAL 10 N -0.38 1.27 -0.40 4.60 2.07 -0.99 -1.34 116.25 121.07 1bsa h VAL 10 Ca 0.02 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1bsa h VAL 10 Cb 0.39 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1bsa h VAL 10 CO -0.09 0.44 0.26 0.00 0.02 0.00 0.00 177.57 178.20 1bsa h ALA 11 N 0.94 0.51 -0.33 1.67 0.00 -1.17 0.11 119.26 120.99 1bsa h ALA 11 Ca 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1bsa h ALA 11 Cb 0.65 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1bsa h ALA 11 CO 0.04 -0.02 0.07 -0.44 0.00 0.00 0.00 179.25 178.91 1bsa h ASP 12 N 0.54 0.51 -0.35 0.00 3.32 -1.34 -2.70 116.42 116.41 1bsa h ASP 12 Ca 0.15 -0.24 0.01 0.00 0.02 0.00 0.00 57.03 56.97 1bsa h ASP 12 Cb -0.04 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1bsa h ASP 12 CO -0.03 0.61 0.22 0.22 -1.72 0.00 0.00 179.24 178.54 1bsa h TYR 13 N 0.37 0.41 -0.55 4.55 5.03 -0.86 -2.76 116.97 123.17 1bsa h TYR 13 Ca 0.10 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.37 1bsa h TYR 13 Cb 0.31 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.43 1bsa h TYR 13 CO 0.02 0.25 0.12 -0.07 -1.32 0.00 0.00 178.16 177.16 1bsa h LEU 14 N 0.45 0.85 -1.44 2.82 3.38 -0.71 0.16 115.31 120.82 1bsa h LEU 14 Ca 0.13 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1bsa h LEU 14 Cb -0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1bsa h LEU 14 CO -0.04 0.87 -0.27 1.56 0.09 0.00 0.00 178.44 180.65 1bsa h GLN 15 N 0.79 0.00 0.00 1.13 4.20 -1.40 0.28 115.11 120.11 1bsa h GLN 15 Ca 0.17 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.71 1bsa h GLN 15 Cb 0.37 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1bsa h GLN 15 CO 0.01 0.27 -1.01 1.15 -0.67 0.00 0.00 178.83 178.58 1bsa h THR 16 N 0.00 0.87 0.00 -0.54 2.02 -1.37 -3.41 112.91 110.49 1bsa h THR 16 Ca -0.00 -2.03 0.00 0.00 0.77 0.00 0.00 66.41 65.15 1bsa h THR 16 Cb 0.56 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 1bsa h THR 16 CO 0.04 0.30 -0.90 -1.22 0.37 0.00 0.00 175.52 174.11 1bsa n TYR 17 N -4.48 0.00 -3.24 3.16 4.01 0.55 -5.02 117.16 112.14 1bsa n TYR 17 Ca -0.26 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.25 1bsa n TYR 17 Cb 0.59 -0.07 0.04 0.00 -0.31 0.00 0.00 39.34 39.59 1bsa n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bsa n HIS 18 N -1.52 -2.19 -3.66 -0.72 8.25 1.00 -4.95 115.22 111.44 1bsa n HIS 18 Ca 0.04 0.65 -0.03 0.00 -0.26 0.00 0.00 57.72 58.12 1bsa n HIS 18 Cb 0.34 -4.45 -0.01 0.00 1.12 0.00 0.00 29.99 26.99 1bsa n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1bsa s LYS 19 N -5.93 0.87 0.45 -0.41 0.00 -1.26 -5.08 119.74 108.39 1bsa s LYS 19 Ca 0.40 -0.45 -0.14 0.00 0.00 0.00 0.00 55.97 55.79 1bsa s LYS 19 Cb -0.18 0.32 -0.07 0.00 0.00 0.00 0.00 37.83 37.89 1bsa s LYS 19 CO 0.49 -0.40 0.87 -0.51 0.00 0.00 0.00 175.35 175.81 1bsa s LEU 20 N -2.80 3.75 1.01 2.77 1.43 -1.26 -4.30 118.68 119.28 1bsa s LEU 20 Ca 0.11 1.35 -0.11 0.00 -1.03 0.00 0.00 54.13 54.45 1bsa s LEU 20 Cb 0.00 -4.26 0.20 0.00 0.03 0.00 0.00 46.19 42.16 1bsa s LEU 20 CO -0.02 -0.48 1.09 -0.81 0.23 0.00 0.00 176.35 176.36 1bsa n PRO 21 N -1.38 -1.15 0.10 1.29 -0.05 -1.26 -4.89 135.00 127.66 1bsa n PRO 21 Ca 0.04 -0.28 0.09 0.00 -0.05 0.00 0.00 63.50 63.30 1bsa n PRO 21 Cb 0.54 -2.30 0.42 0.00 -0.05 0.00 0.00 33.50 32.11 1bsa n PRO 21 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 1bsa n ASP 22 N -4.44 0.41 -0.12 3.54 8.00 -1.26 -3.09 116.55 119.59 1bsa n ASP 22 Ca 0.09 0.66 0.09 0.00 0.71 0.00 0.00 54.79 56.34 1bsa n ASP 22 Cb 0.53 -0.73 0.48 0.00 -0.02 0.00 0.00 41.12 41.39 1bsa n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1bsa n ASN 23 N -2.02 0.35 -4.82 -2.24 6.94 -1.26 -4.85 115.26 107.36 1bsa n ASN 23 Ca 0.00 -1.51 -0.37 0.00 -0.02 0.00 0.00 54.58 52.68 1bsa n ASN 23 Cb 0.09 -0.02 -0.06 0.00 -2.36 0.00 0.00 39.78 37.42 1bsa n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1bsa s TYR 24 N -1.95 3.58 0.02 -2.53 2.02 -1.18 -0.63 117.35 116.67 1bsa s TYR 24 Ca 0.27 0.61 0.01 0.00 -0.37 0.00 0.00 57.07 57.60 1bsa s TYR 24 Cb 0.13 -2.11 -0.01 0.00 -0.40 0.00 0.00 41.96 39.56 1bsa s TYR 24 CO 0.21 0.57 -0.05 0.96 -1.57 0.00 0.00 175.55 175.68 1bsa s ILE 25 N -0.60 0.34 0.77 2.71 -4.36 -0.53 -4.91 121.20 114.62 1bsa s ILE 25 Ca 0.16 -0.67 -0.11 0.00 -0.26 0.00 0.00 60.65 59.77 1bsa s ILE 25 Cb -0.13 -0.38 0.05 0.00 1.25 0.00 0.00 42.46 43.25 1bsa s ILE 25 CO 0.05 -0.22 1.09 0.42 0.24 0.00 0.00 174.94 176.51 1bsa s THR 26 N -0.87 3.32 0.24 8.37 -4.23 -1.22 -0.29 115.64 120.97 1bsa s THR 26 Ca -0.07 0.43 -0.04 0.00 -1.18 0.00 0.00 61.69 60.83 1bsa s THR 26 Cb -0.06 -3.16 0.21 0.00 1.34 0.00 0.00 72.50 70.82 1bsa s THR 26 CO -0.00 -0.56 1.76 0.11 -0.54 0.00 0.00 174.62 175.39 1bsa h LYS 27 N -1.00 0.55 -0.46 3.99 1.57 -1.95 -1.07 116.57 118.19 1bsa h LYS 27 Ca -0.46 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.27 1bsa h LYS 27 Cb 1.25 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1bsa h LYS 27 CO 0.58 0.36 0.22 0.77 -0.57 0.00 0.00 179.45 180.81 1bsa h SER 28 N 0.56 0.60 0.05 0.86 0.02 -1.99 -0.61 113.55 113.04 1bsa h SER 28 Ca 0.40 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 61.13 1bsa h SER 28 Cb 0.53 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1bsa h SER 28 CO -0.34 0.56 -0.29 -0.33 -1.14 0.00 0.00 176.83 175.30 1bsa h GLU 29 N 0.60 0.37 -0.20 3.45 5.08 -1.78 -2.15 114.58 119.95 1bsa h GLU 29 Ca 0.16 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1bsa h GLU 29 Cb 0.12 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1bsa h GLU 29 CO -0.02 0.63 0.07 0.00 -1.00 0.00 0.00 179.01 178.69 1bsa h ALA 30 N 1.37 0.26 -0.89 3.43 0.00 -0.71 -3.01 119.26 119.72 1bsa h ALA 30 Ca 0.05 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.93 1bsa h ALA 30 Cb 0.68 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 1bsa h ALA 30 CO 0.05 -0.12 0.53 1.96 0.00 0.00 0.00 179.25 181.67 1bsa h GLN 31 N 0.16 0.84 0.00 0.00 4.20 -0.98 -1.56 115.11 117.77 1bsa h GLN 31 Ca 0.07 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1bsa h GLN 31 Cb 0.21 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1bsa h GLN 31 CO -0.00 0.56 0.00 0.00 -0.67 0.00 0.00 178.83 178.71 1bsa h ALA 32 N 1.49 1.00 -0.01 3.87 0.00 -1.26 -0.61 119.26 123.74 1bsa h ALA 32 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1bsa h ALA 32 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1bsa h ALA 32 CO -0.25 0.00 -0.34 1.28 0.00 0.00 0.00 179.25 179.94 1bsa n LEU 33 N -2.77 1.37 0.00 0.00 4.77 -0.62 -4.94 117.00 114.81 1bsa n LEU 33 Ca 0.00 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 1bsa n LEU 33 Cb 0.22 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1bsa n LEU 33 CO 0.22 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1bsa n GLY 34 N 1.37 1.00 3.70 -0.72 0.00 -0.23 -4.91 105.19 105.39 1bsa n GLY 34 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1bsa n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bsa s TRP 35 N -2.00 3.28 -0.36 1.61 -0.00 -1.02 -4.94 118.94 115.50 1bsa s TRP 35 Ca 0.00 1.23 -0.04 0.00 -0.00 0.00 0.00 56.10 57.30 1bsa s TRP 35 Cb 0.00 -3.43 0.08 0.00 -0.00 0.00 0.00 33.47 30.12 1bsa s TRP 35 CO 0.00 -1.35 0.13 0.08 -0.00 0.00 0.00 176.95 175.81 1bsa s VAL 36 N 1.71 3.37 0.32 5.86 1.01 -1.26 -4.58 120.40 126.83 1bsa s VAL 36 Ca 0.58 -1.63 0.02 0.00 0.00 0.00 0.00 61.98 60.95 1bsa s VAL 36 Cb -0.27 -3.11 0.28 0.00 0.00 0.00 0.00 36.38 33.29 1bsa s VAL 36 CO 0.26 -0.41 1.93 0.00 0.00 0.00 0.00 175.10 176.87 1bsa h ALA 37 N 8.10 1.57 0.00 5.51 0.00 -1.99 -1.43 119.26 131.02 1bsa h ALA 37 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1bsa h ALA 37 Cb 1.06 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1bsa h ALA 37 CO 0.64 0.31 0.00 0.43 0.00 0.00 0.00 179.25 180.62 1bsa n SER 38 N -4.48 0.10 -0.01 0.00 7.64 -1.26 -2.39 113.62 113.22 1bsa n SER 38 Ca 0.13 0.53 0.09 0.00 1.01 0.00 0.00 58.87 60.62 1bsa n SER 38 Cb 0.20 -0.55 -0.13 0.00 -1.01 0.00 0.00 64.21 62.73 1bsa n SER 38 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1bsa n LYS 39 N -1.61 0.74 -3.36 1.43 5.02 -0.57 -5.02 118.16 114.79 1bsa n LYS 39 Ca 0.03 -0.12 -0.18 0.00 -2.02 0.00 0.00 58.31 56.02 1bsa n LYS 39 Cb 0.18 -1.39 0.08 0.00 -0.02 0.00 0.00 35.03 33.87 1bsa n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bsa n GLY 40 N 1.48 -0.32 1.11 0.72 0.00 -0.99 -4.86 105.19 102.33 1bsa n GLY 40 Ca -0.02 0.09 -0.00 0.00 0.00 0.00 0.00 46.02 46.09 1bsa n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bsa n ASN 41 N -2.70 3.05 -0.26 1.61 6.94 -1.25 -3.81 115.26 118.84 1bsa n ASN 41 Ca -0.13 -3.48 -0.01 0.00 -0.02 0.00 0.00 54.58 50.93 1bsa n ASN 41 Cb 0.61 -0.61 0.10 0.00 -2.36 0.00 0.00 39.78 37.52 1bsa n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1bsa h LEU 42 N 1.27 0.69 -1.90 -4.53 5.85 -1.88 -1.12 115.31 113.70 1bsa h LEU 42 Ca 0.16 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1bsa h LEU 42 Cb 1.64 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.54 1bsa h LEU 42 CO 0.36 0.46 -0.11 0.00 -0.34 0.00 0.00 178.44 178.81 1bsa h ALA 43 N 1.35 1.25 0.23 1.25 0.00 -1.85 0.39 119.26 121.88 1bsa h ALA 43 Ca 0.32 -0.10 -0.30 0.00 0.00 0.00 0.00 54.91 54.82 1bsa h ALA 43 Cb 0.12 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 17.93 1bsa h ALA 43 CO -0.15 0.14 -1.32 -0.44 0.00 0.00 0.00 179.25 177.47 1bsa h ASP 44 N 0.00 0.75 0.21 0.00 3.32 -1.58 -3.07 116.42 116.05 1bsa h ASP 44 Ca -0.00 -0.93 -0.33 0.00 0.02 0.00 0.00 57.03 55.79 1bsa h ASP 44 Cb 0.35 -0.24 0.04 0.00 0.22 0.00 0.00 39.33 39.69 1bsa h ASP 44 CO 0.01 1.64 -1.41 -0.37 -1.72 0.00 0.00 179.24 177.39 1bsa h VAL 45 N 0.01 1.28 -2.43 -1.35 -1.51 -1.03 -3.40 116.25 107.82 1bsa h VAL 45 Ca -0.23 -2.62 -0.59 0.00 -1.23 0.00 0.00 66.70 62.03 1bsa h VAL 45 Cb 2.04 2.93 -0.40 0.00 -2.13 0.00 0.00 31.29 33.72 1bsa h VAL 45 CO 0.24 0.79 -0.84 0.00 -1.23 0.00 0.00 177.57 176.53 1bsa n ALA 46 N -2.71 3.10 -1.61 5.19 0.00 0.13 -5.05 120.51 119.57 1bsa n ALA 46 Ca -0.16 -3.80 -0.46 0.00 0.00 0.00 0.00 53.44 49.02 1bsa n ALA 46 Cb 1.07 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 19.63 1bsa n ALA 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bsa n PRO 47 N 1.96 1.49 -0.89 0.00 -0.04 -1.16 -1.99 135.00 134.36 1bsa n PRO 47 Ca 0.25 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 1bsa n PRO 47 Cb 0.45 -2.02 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 1bsa n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bsa n GLY 48 N 1.70 0.71 3.88 0.55 0.00 -1.26 -5.02 105.19 105.76 1bsa n GLY 48 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1bsa n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bsa s LYS 49 N -0.28 3.73 0.07 1.61 3.01 -0.84 -4.84 119.74 122.20 1bsa s LYS 49 Ca 0.00 0.16 0.06 0.00 -1.01 0.00 0.00 55.97 55.18 1bsa s LYS 49 Cb 0.00 -2.67 -0.03 0.00 -1.01 0.00 0.00 37.83 34.13 1bsa s LYS 49 CO 0.00 0.30 -0.16 -1.12 0.51 0.00 0.00 175.35 174.88 1bsa s SER 50 N -2.60 1.95 0.11 2.83 0.01 0.19 -4.82 113.70 111.38 1bsa s SER 50 Ca 0.46 -0.59 -0.29 0.00 1.31 0.00 0.00 55.95 56.84 1bsa s SER 50 Cb -0.11 -0.10 -0.06 0.00 0.21 0.00 0.00 66.02 65.96 1bsa s SER 50 CO 0.24 0.00 0.92 -0.69 0.41 0.00 0.00 173.24 174.12 1bsa s VAL 51 N -1.11 4.50 -0.26 3.43 1.01 -1.26 -1.45 120.40 125.27 1bsa s VAL 51 Ca 0.02 1.98 -0.28 0.00 0.00 0.00 0.00 61.98 63.70 1bsa s VAL 51 Cb -0.09 -4.28 0.17 0.00 0.00 0.00 0.00 36.38 32.18 1bsa s VAL 51 CO 0.02 0.35 1.28 -0.83 0.00 0.00 0.00 175.10 175.93 1bsa s GLY 52 N -0.15 0.06 0.00 4.51 0.00 0.61 -0.90 107.32 111.46 1bsa s GLY 52 Ca 0.45 2.82 0.00 0.00 0.00 0.00 0.00 44.72 47.99 1bsa s GLY 52 CO 0.29 1.33 0.00 0.61 0.00 0.00 0.00 173.10 175.33 1bsa n GLY 53 N 0.92 2.03 3.80 0.20 0.00 0.20 -3.39 105.19 108.96 1bsa n GLY 53 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1bsa n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bsa s ASP 54 N -1.98 5.97 0.32 1.61 1.01 -1.22 -4.73 116.67 117.65 1bsa s ASP 54 Ca 0.00 1.86 -0.29 0.00 0.71 0.00 0.00 52.55 54.84 1bsa s ASP 54 Cb 0.00 -2.54 -0.10 0.00 1.01 0.00 0.00 42.92 41.28 1bsa s ASP 54 CO 0.00 -1.04 1.37 -0.63 0.21 0.00 0.00 175.17 175.08 1bsa s ILE 55 N -2.27 2.59 -0.23 0.77 1.01 -1.26 -0.95 121.20 120.85 1bsa s ILE 55 Ca 0.65 0.57 -0.08 0.00 0.00 0.00 0.00 60.65 61.79 1bsa s ILE 55 Cb -0.16 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 1bsa s ILE 55 CO 0.31 0.13 0.10 0.12 0.00 0.00 0.00 174.94 175.59 1bsa s PHE 56 N -0.88 3.19 0.27 3.97 5.36 0.40 -4.79 117.98 125.50 1bsa s PHE 56 Ca 0.52 -0.08 0.07 0.00 -0.96 0.00 0.00 56.93 56.48 1bsa s PHE 56 Cb -0.41 -2.21 0.36 0.00 -0.34 0.00 0.00 43.02 40.42 1bsa s PHE 56 CO 0.52 -0.09 1.62 0.77 -1.46 0.00 0.00 175.22 176.59 1bsa h SER 57 N 7.61 0.16 -3.11 6.13 0.02 -1.95 -3.38 113.55 119.03 1bsa h SER 57 Ca -0.37 -0.09 -0.27 0.00 -0.84 0.00 0.00 61.79 60.22 1bsa h SER 57 Cb 1.17 -0.05 0.04 0.00 0.14 0.00 0.00 62.40 63.71 1bsa h SER 57 CO 0.63 0.68 -0.40 -3.20 -1.14 0.00 0.00 176.83 173.39 1bsa n ASN 58 N -3.90 -4.59 -0.03 3.07 5.15 -1.26 -4.95 115.26 108.75 1bsa n ASN 58 Ca -0.02 -0.19 -0.08 0.00 -0.60 0.00 0.00 54.58 53.69 1bsa n ASN 58 Cb 0.57 -3.47 -0.02 0.00 -0.53 0.00 0.00 39.78 36.34 1bsa n ASN 58 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 1bsa h ARG 59 N -0.91 -0.20 0.00 1.20 -0.00 -1.99 0.39 114.38 112.86 1bsa h ARG 59 Ca -0.35 0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.64 1bsa h ARG 59 Cb 1.24 0.05 0.00 0.00 -0.00 0.00 0.00 29.97 31.26 1bsa h ARG 59 CO 0.38 -0.13 0.00 0.39 -0.00 0.00 0.00 179.97 180.61 1bsa n GLU 60 N -5.34 0.27 -3.35 0.08 1.02 -1.26 -4.86 120.64 107.20 1bsa n GLU 60 Ca -0.02 0.10 -0.24 0.00 -0.02 0.00 0.00 57.16 56.98 1bsa n GLU 60 Cb 0.25 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.18 1bsa n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bsa n GLY 61 N -0.24 -0.49 0.02 0.62 0.00 0.13 -4.83 105.19 100.40 1bsa n GLY 61 Ca 0.07 0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.34 1bsa n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bsa n LYS 62 N -3.90 0.25 -4.44 1.61 5.02 -1.26 -4.76 118.16 110.67 1bsa n LYS 62 Ca -0.03 -0.04 -0.31 0.00 -2.02 0.00 0.00 58.31 55.90 1bsa n LYS 62 Cb 0.56 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.96 1bsa n LYS 62 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bsa s LEU 63 N -2.78 3.00 -0.22 -0.35 1.43 -1.26 -4.92 118.68 113.58 1bsa s LEU 63 Ca 0.20 -0.28 -0.31 0.00 -1.03 0.00 0.00 54.13 52.72 1bsa s LEU 63 Cb 0.19 -1.76 -0.08 0.00 0.03 0.00 0.00 46.19 44.58 1bsa s LEU 63 CO 0.52 0.25 2.17 -2.65 0.23 0.00 0.00 176.35 176.86 1bsa n PRO 64 N 1.32 1.83 -1.85 1.29 -0.02 -1.26 -4.99 135.00 131.31 1bsa n PRO 64 Ca -0.15 0.54 -0.29 0.00 -2.02 0.00 0.00 63.50 61.58 1bsa n PRO 64 Cb 0.52 -2.97 0.09 0.00 -0.02 0.00 0.00 33.50 31.12 1bsa n PRO 64 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1bsa s GLY 65 N 7.37 1.60 0.00 -1.23 0.00 -1.26 -5.08 107.32 108.72 1bsa s GLY 65 Ca 1.01 -0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.15 1bsa s GLY 65 CO 0.41 -0.10 0.00 1.17 0.00 0.00 0.00 173.10 174.57 1bsa n LYS 66 N -3.32 0.00 -1.57 2.90 4.81 -1.26 -5.06 118.16 114.66 1bsa n LYS 66 Ca 0.08 0.00 -0.61 0.00 -0.87 0.00 0.00 58.31 56.90 1bsa n LYS 66 Cb 0.60 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.56 1bsa n LYS 66 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1bsa n SER 67 N 0.00 1.04 0.00 3.14 2.88 -1.26 0.55 113.62 119.96 1bsa n SER 67 Ca 0.00 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 1bsa n SER 67 Cb 0.00 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 1bsa n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bsa n GLY 68 N 3.50 0.28 3.72 0.46 0.00 -1.26 -5.00 105.19 106.89 1bsa n GLY 68 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 1bsa n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bsa s ARG 69 N -0.92 4.56 0.23 1.61 3.52 0.19 -4.96 118.95 123.19 1bsa s ARG 69 Ca 0.00 1.26 0.10 0.00 -0.13 0.00 0.00 55.73 56.96 1bsa s ARG 69 Cb 0.00 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.93 1bsa s ARG 69 CO 0.00 0.11 -0.09 0.99 -0.81 0.00 0.00 175.30 175.50 1bsa s THR 70 N 0.49 3.10 0.01 4.11 2.01 -1.26 -4.80 115.64 119.30 1bsa s THR 70 Ca 0.45 -1.92 0.06 0.00 0.31 0.00 0.00 61.69 60.59 1bsa s THR 70 Cb -0.21 -2.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.68 1bsa s THR 70 CO 0.26 -0.27 -0.17 0.26 -0.69 0.00 0.00 174.62 174.01 1bsa s TRP 71 N -2.09 1.52 0.12 4.92 0.52 -1.26 -1.15 118.94 121.52 1bsa s TRP 71 Ca 0.28 -0.31 0.03 0.00 0.02 0.00 0.00 56.10 56.12 1bsa s TRP 71 Cb -0.07 -0.95 -0.04 0.00 -1.15 0.00 0.00 33.47 31.26 1bsa s TRP 71 CO 0.17 0.01 -0.09 1.03 0.02 0.00 0.00 176.95 178.09 1bsa s ARG 72 N -0.69 0.95 0.17 4.98 0.52 0.95 -0.45 118.95 125.38 1bsa s ARG 72 Ca 0.06 -1.38 0.08 0.00 -0.52 0.00 0.00 55.73 53.97 1bsa s ARG 72 Cb -0.07 -0.44 -0.04 0.00 0.52 0.00 0.00 34.95 34.91 1bsa s ARG 72 CO 0.00 0.04 -0.17 -1.83 0.02 0.00 0.00 175.30 173.36 1bsa s GLU 73 N -3.70 1.26 -0.07 3.54 -1.05 -0.13 -0.85 118.70 117.71 1bsa s GLU 73 Ca 0.14 -1.43 -0.08 0.00 -0.15 0.00 0.00 54.97 53.45 1bsa s GLU 73 Cb 0.03 -1.25 0.02 0.00 -0.44 0.00 0.00 34.13 32.49 1bsa s GLU 73 CO -0.02 0.24 0.21 0.00 0.95 0.00 0.00 175.26 176.65 1bsa s ALA 74 N -2.26 -0.52 0.29 -0.84 0.00 -0.22 0.62 121.76 118.84 1bsa s ALA 74 Ca 0.17 0.52 -0.28 0.00 0.00 0.00 0.00 51.96 52.36 1bsa s ALA 74 Cb -0.05 -0.29 -0.09 0.00 0.00 0.00 0.00 23.12 22.69 1bsa s ALA 74 CO 0.06 -0.12 1.01 -0.51 0.00 0.00 0.00 175.76 176.20 1bsa s ASP 75 N -0.09 7.34 0.11 0.00 1.11 -0.07 0.11 116.67 125.17 1bsa s ASP 75 Ca -0.02 2.04 0.10 0.00 0.18 0.00 0.00 52.55 54.85 1bsa s ASP 75 Cb -0.02 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.32 1bsa s ASP 75 CO 0.01 -0.07 -0.24 -0.63 1.18 0.00 0.00 175.17 175.41 1bsa s ILE 76 N -1.33 2.42 -1.81 0.77 -1.09 -0.51 -4.73 121.20 114.92 1bsa s ILE 76 Ca 0.46 -1.62 0.00 0.00 -2.23 0.00 0.00 60.65 57.27 1bsa s ILE 76 Cb -0.26 -2.06 0.00 0.00 -1.58 0.00 0.00 42.46 38.56 1bsa s ILE 76 CO 0.32 0.14 0.00 0.59 -1.23 0.00 0.00 174.94 174.77 1bsa n ASN 77 N 1.03 -5.10 -4.77 3.58 3.02 0.46 -4.55 115.26 108.93 1bsa n ASN 77 Ca -0.17 0.39 -0.39 0.00 -0.03 0.00 0.00 54.58 54.38 1bsa n ASN 77 Cb 0.53 -4.13 -0.06 0.00 -0.61 0.00 0.00 39.78 35.51 1bsa n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bsa s TYR 78 N -2.67 3.72 0.01 3.10 5.04 -1.26 -4.94 117.35 120.36 1bsa s TYR 78 Ca 0.00 1.29 0.00 0.00 -2.44 0.00 0.00 57.07 55.92 1bsa s TYR 78 Cb 0.00 -2.65 0.00 0.00 0.35 0.00 0.00 41.96 39.66 1bsa s TYR 78 CO 0.00 0.37 0.00 0.25 -1.34 0.00 0.00 175.55 174.83 1bsa n THR 79 N 2.55 0.05 -3.90 4.34 -2.24 -1.26 -4.94 114.28 108.89 1bsa n THR 79 Ca -0.06 0.02 -0.09 0.00 -2.27 0.00 0.00 64.05 61.65 1bsa n THR 79 Cb 0.51 -1.07 -0.02 0.00 -2.10 0.00 0.00 70.33 67.65 1bsa n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bsa s SER 80 N -5.04 -0.01 0.36 3.42 1.04 -1.26 -4.75 113.70 107.46 1bsa s SER 80 Ca 0.00 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1bsa s SER 80 Cb 0.00 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1bsa s SER 80 CO 0.00 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.43 1bsa n GLY 81 N -0.47 -0.11 3.73 7.32 0.00 -1.25 -4.85 105.19 109.56 1bsa n GLY 81 Ca -0.04 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 1bsa n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bsa s PHE 82 N 0.00 2.09 0.31 1.61 0.08 -1.25 -4.52 117.98 116.30 1bsa s PHE 82 Ca 0.00 1.59 -0.29 0.00 0.12 0.00 0.00 56.93 58.35 1bsa s PHE 82 Cb 0.00 -3.47 -0.11 0.00 -0.57 0.00 0.00 43.02 38.87 1bsa s PHE 82 CO 0.00 -2.57 1.48 1.03 -0.10 0.00 0.00 175.22 175.06 1bsa s ARG 83 N -3.87 4.19 0.00 0.44 0.52 -1.26 -5.00 118.95 113.98 1bsa s ARG 83 Ca 0.75 2.45 0.00 0.00 -0.52 0.00 0.00 55.73 58.41 1bsa s ARG 83 Cb -0.29 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.14 1bsa s ARG 83 CO 0.44 -0.48 0.00 0.27 0.02 0.00 0.00 175.30 175.55 1bsa n ASN 84 N 1.51 0.00 -0.80 0.23 0.23 -1.26 -5.01 115.26 110.17 1bsa n ASN 84 Ca 0.04 -0.76 0.07 0.00 -0.53 0.00 0.00 54.58 53.41 1bsa n ASN 84 Cb 0.39 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.31 1bsa n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1bsa n SER 85 N -2.28 3.50 -4.68 0.53 3.41 -1.26 -4.95 113.62 107.89 1bsa n SER 85 Ca 0.00 -2.58 -0.37 0.00 -0.26 0.00 0.00 58.87 55.66 1bsa n SER 85 Cb 0.00 -0.41 -0.08 0.00 -0.26 0.00 0.00 64.21 63.46 1bsa n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bsa s ASP 86 N -1.52 6.33 0.04 4.04 1.01 -1.26 -2.01 116.67 123.30 1bsa s ASP 86 Ca 0.34 0.38 0.01 0.00 0.71 0.00 0.00 52.55 53.99 1bsa s ASP 86 Cb 0.25 -2.18 -0.03 0.00 1.01 0.00 0.00 42.92 41.98 1bsa s ASP 86 CO 0.12 0.01 -0.05 -0.13 0.21 0.00 0.00 175.17 175.33 1bsa s ARG 87 N 1.02 0.45 -0.08 8.23 1.81 0.33 -1.42 118.95 129.30 1bsa s ARG 87 Ca 0.15 -0.78 -0.00 0.00 -1.72 0.00 0.00 55.73 53.38 1bsa s ARG 87 Cb -0.14 -0.04 -0.03 0.00 -0.45 0.00 0.00 34.95 34.30 1bsa s ARG 87 CO 0.06 -0.02 -0.04 -1.50 -0.68 0.00 0.00 175.30 173.11 1bsa s ILE 88 N -1.85 3.94 -0.11 1.52 2.07 0.12 -2.07 121.20 124.82 1bsa s ILE 88 Ca -0.10 -0.39 0.02 0.00 -1.41 0.00 0.00 60.65 58.77 1bsa s ILE 88 Cb -0.07 -2.63 -0.01 0.00 0.13 0.00 0.00 42.46 39.88 1bsa s ILE 88 CO -0.02 0.60 -0.16 -0.76 -1.91 0.00 0.00 174.94 172.69 1bsa s LEU 89 N -0.81 2.56 -0.01 8.50 2.01 0.05 -1.06 118.68 129.92 1bsa s LEU 89 Ca 0.12 -0.36 0.01 0.00 0.01 0.00 0.00 54.13 53.91 1bsa s LEU 89 Cb -0.11 -1.55 0.00 0.00 0.01 0.00 0.00 46.19 44.54 1bsa s LEU 89 CO 0.02 0.19 -0.02 -0.72 1.01 0.00 0.00 176.35 176.83 1bsa s TYR 90 N 0.17 0.21 0.26 0.29 1.13 -0.03 -0.47 117.35 118.91 1bsa s TYR 90 Ca -0.09 -0.03 0.05 0.00 -1.41 0.00 0.00 57.07 55.59 1bsa s TYR 90 Cb -0.15 -0.18 -0.03 0.00 -1.10 0.00 0.00 41.96 40.50 1bsa s TYR 90 CO 0.05 -0.03 0.39 -1.54 -2.51 0.00 0.00 175.55 171.92 1bsa s SER 91 N 0.16 6.29 0.64 -0.18 1.04 -0.91 -0.03 113.70 120.70 1bsa s SER 91 Ca -0.01 0.08 0.36 0.00 0.48 0.00 0.00 55.95 56.86 1bsa s SER 91 Cb -0.03 -1.82 1.98 0.00 0.10 0.00 0.00 66.02 66.24 1bsa s SER 91 CO -0.00 -0.12 2.17 0.77 0.98 0.00 0.00 173.24 177.04 1bsa h SER 92 N 1.10 0.00 -0.69 7.02 4.64 -1.50 -0.34 113.55 123.79 1bsa h SER 92 Ca -0.51 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.37 1bsa h SER 92 Cb 1.23 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.07 1bsa h SER 92 CO 0.60 0.00 0.07 -0.90 -0.87 0.00 0.00 176.83 175.73 1bsa n ASP 93 N -3.28 4.50 -4.10 4.97 5.75 -1.26 -4.98 116.55 118.14 1bsa n ASP 93 Ca -0.01 -3.76 -0.34 0.00 -0.01 0.00 0.00 54.79 50.66 1bsa n ASP 93 Cb 0.22 -0.68 -0.01 0.00 -1.03 0.00 0.00 41.12 39.63 1bsa n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bsa n TRP 94 N -0.98 -1.94 -3.01 2.11 7.02 -0.14 -5.02 117.44 115.48 1bsa n TRP 94 Ca 0.47 0.83 -0.39 0.00 -1.02 0.00 0.00 57.50 57.39 1bsa n TRP 94 Cb 1.01 -3.29 -0.06 0.00 -2.42 0.00 0.00 31.31 26.55 1bsa n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1bsa s LEU 95 N -7.26 4.56 -0.08 -0.99 1.43 -1.26 -4.87 118.68 110.20 1bsa s LEU 95 Ca 0.72 1.60 0.03 0.00 -1.03 0.00 0.00 54.13 55.45 1bsa s LEU 95 Cb -0.38 -3.32 0.01 0.00 0.03 0.00 0.00 46.19 42.53 1bsa s LEU 95 CO 0.89 0.19 -0.16 -0.63 0.23 0.00 0.00 176.35 176.87 1bsa s ILE 96 N -1.20 1.43 0.28 -0.59 -1.09 -1.19 -2.15 121.20 116.68 1bsa s ILE 96 Ca 0.36 -0.64 0.04 0.00 -2.23 0.00 0.00 60.65 58.19 1bsa s ILE 96 Cb -0.22 -1.28 -0.06 0.00 -1.58 0.00 0.00 42.46 39.32 1bsa s ILE 96 CO 0.25 0.42 0.00 -0.31 -1.23 0.00 0.00 174.94 174.08 1bsa s TYR 97 N 0.65 1.80 0.11 3.97 1.51 0.38 -0.98 117.35 124.79 1bsa s TYR 97 Ca -0.14 -0.88 0.02 0.00 -1.01 0.00 0.00 57.07 55.06 1bsa s TYR 97 Cb -0.16 -1.09 -0.04 0.00 -0.11 0.00 0.00 41.96 40.56 1bsa s TYR 97 CO 0.04 0.06 -0.05 -1.59 -1.11 0.00 0.00 175.55 172.89 1bsa s LYS 98 N -3.84 0.89 -0.02 -0.62 -2.85 0.23 -0.77 119.74 112.77 1bsa s LYS 98 Ca 0.32 -1.38 -0.02 0.00 -1.00 0.00 0.00 55.97 53.89 1bsa s LYS 98 Cb 0.06 -0.23 0.00 0.00 -2.06 0.00 0.00 37.83 35.61 1bsa s LYS 98 CO 0.12 -0.04 0.06 -0.08 0.10 0.00 0.00 175.35 175.51 1bsa s THR 99 N -3.62 0.02 -0.04 3.79 -1.32 -0.88 -0.41 115.64 113.17 1bsa s THR 99 Ca 0.14 -0.15 0.06 0.00 -1.21 0.00 0.00 61.69 60.53 1bsa s THR 99 Cb 0.05 -0.14 0.10 0.00 -1.51 0.00 0.00 72.50 71.00 1bsa s THR 99 CO -0.03 -0.08 0.96 0.35 -2.21 0.00 0.00 174.62 173.61 1bsa n THR 100 N 2.77 0.88 -2.41 5.08 -2.24 -1.26 -0.51 114.28 116.59 1bsa n THR 100 Ca -0.14 -1.00 -0.01 0.00 -2.27 0.00 0.00 64.05 60.62 1bsa n THR 100 Cb 0.59 0.34 0.06 0.00 -2.10 0.00 0.00 70.33 69.22 1bsa n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bsa n ASP 101 N -0.60 1.91 -2.96 3.42 5.75 -1.17 -4.61 116.55 118.29 1bsa n ASP 101 Ca 0.05 -2.57 -0.15 0.00 -0.01 0.00 0.00 54.79 52.12 1bsa n ASP 101 Cb 0.54 -0.40 0.07 0.00 -1.03 0.00 0.00 41.12 40.29 1bsa n ASP 101 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1bsa n HIS 102 N -0.32 -1.87 -1.77 2.11 8.25 -0.85 -3.16 115.22 117.61 1bsa n HIS 102 Ca 0.14 0.77 -0.21 0.00 -0.26 0.00 0.00 57.72 58.16 1bsa n HIS 102 Cb 0.93 -4.43 -0.07 0.00 1.12 0.00 0.00 29.99 27.53 1bsa n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1bsa n TYR 103 N -3.72 -0.20 0.02 4.41 4.01 -1.26 -4.87 117.16 115.55 1bsa n TYR 103 Ca -0.18 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.37 1bsa n TYR 103 Cb 0.62 -3.58 -0.12 0.00 -0.31 0.00 0.00 39.34 35.95 1bsa n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1bsa h GLN 104 N 0.00 0.44 -3.90 -0.72 7.50 -1.96 -3.47 115.11 113.00 1bsa h GLN 104 Ca -0.44 -0.52 -0.16 0.00 0.50 0.00 0.00 58.65 58.03 1bsa h GLN 104 Cb 1.36 0.16 -0.20 0.00 0.05 0.00 0.00 27.48 28.85 1bsa h GLN 104 CO 0.62 1.18 -0.64 0.95 -1.50 0.00 0.00 178.83 179.44 1bsa s THR 105 N -3.05 0.12 0.06 -0.54 -4.23 -1.26 -5.12 115.64 101.62 1bsa s THR 105 Ca -0.13 -0.98 0.08 0.00 -1.18 0.00 0.00 61.69 59.49 1bsa s THR 105 Cb 0.04 -0.49 -0.03 0.00 1.34 0.00 0.00 72.50 73.36 1bsa s THR 105 CO 0.84 -0.54 -0.22 -0.36 -0.54 0.00 0.00 174.62 173.80 1bsa s PHE 106 N -1.82 1.94 -0.08 3.99 0.08 -1.26 -4.44 117.98 116.39 1bsa s PHE 106 Ca -0.12 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 56.57 1bsa s PHE 106 Cb -0.07 -1.13 0.01 0.00 -0.57 0.00 0.00 43.02 41.26 1bsa s PHE 106 CO -0.02 0.14 -0.17 0.99 -0.10 0.00 0.00 175.22 176.06 1bsa s THR 107 N -0.88 1.48 0.12 0.64 2.01 0.45 -4.94 115.64 114.52 1bsa s THR 107 Ca 0.09 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.10 1bsa s THR 107 Cb -0.09 -1.32 -0.07 0.00 0.01 0.00 0.00 72.50 71.03 1bsa s THR 107 CO 0.03 0.43 1.23 -0.75 -0.69 0.00 0.00 174.62 174.87 1bsa s LYS 108 N 0.53 4.43 0.00 4.92 2.20 -1.26 -0.60 119.74 129.97 1bsa s LYS 108 Ca -0.16 1.87 0.00 0.00 -0.36 0.00 0.00 55.97 57.32 1bsa s LYS 108 Cb -0.17 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1bsa s LYS 108 CO 0.06 -0.22 0.11 0.44 -0.36 0.00 0.00 175.35 175.37 1bsa n ILE 109 N 3.36 0.00 -1.35 5.43 -5.35 -0.16 -4.94 119.36 116.35 1bsa n ILE 109 Ca 0.08 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1bsa n ILE 109 Cb 0.45 1.08 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 1bsa n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33