#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 0.17 -4.96 4.38 6.94 -1.26 -4.81 115.26 115.72 1bsa n ASN 5 Ca 0.00 -1.83 -0.23 0.00 -0.02 0.00 0.00 54.58 52.51 1bsa n ASN 5 Cb 0.00 -0.13 -0.02 0.00 -2.36 0.00 0.00 39.78 37.26 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 5.26 0.09 5.53 -4.23 -1.26 -0.31 115.64 120.72 1bsa s THR 6 Ca 0.10 -0.91 -0.33 0.00 -1.18 0.00 0.00 61.69 59.37 1bsa s THR 6 Cb 0.12 -3.81 -0.15 0.00 1.34 0.00 0.00 72.50 69.99 1bsa s THR 6 CO -0.05 -0.26 1.59 -0.26 -0.54 0.00 0.00 174.62 175.10 1bsa h PHE 7 N 1.47 -1.17 -0.34 3.99 0.04 -1.99 -0.92 116.94 118.02 1bsa h PHE 7 Ca -0.51 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.30 1bsa h PHE 7 Cb 1.22 0.45 -0.03 0.00 2.20 0.00 0.00 35.95 39.79 1bsa h PHE 7 CO 0.48 -0.58 0.16 -0.44 -0.60 0.00 0.00 178.31 177.32 1bsa h ASP 8 N -0.87 0.23 -0.19 2.17 3.32 -1.98 -1.58 116.42 117.52 1bsa h ASP 8 Ca -0.04 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.06 1bsa h ASP 8 Cb 0.77 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 1bsa h ASP 8 CO -0.07 0.17 -0.01 1.23 -1.72 0.00 0.00 179.24 178.84 1bsa h GLY 9 N 0.34 0.18 1.32 2.75 0.00 -1.94 0.44 103.07 106.15 1bsa h GLY 9 Ca 0.15 0.03 -0.21 0.00 0.00 0.00 0.00 47.33 47.29 1bsa h GLY 9 CO -0.11 -0.04 -0.78 -2.08 0.00 0.00 0.00 176.54 173.52 1bsa h VAL 10 N 0.05 1.31 -0.19 4.60 2.07 -1.11 -2.66 116.25 120.32 1bsa h VAL 10 Ca 0.09 -2.05 0.05 0.00 0.82 0.00 0.00 66.70 65.61 1bsa h VAL 10 Cb 0.12 2.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 1bsa h VAL 10 CO -0.16 0.64 -0.12 0.00 0.02 0.00 0.00 177.57 177.94 1bsa h ALA 11 N 0.68 0.03 -0.62 1.67 0.00 -1.05 0.32 119.26 120.29 1bsa h ALA 11 Ca -0.05 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1bsa h ALA 11 Cb 1.39 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 1bsa h ALA 11 CO 0.15 -0.55 0.02 -0.44 0.00 0.00 0.00 179.25 178.44 1bsa h ASP 12 N -0.11 1.05 -0.12 0.00 3.32 -0.95 -2.80 116.42 116.80 1bsa h ASP 12 Ca 0.11 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 1bsa h ASP 12 Cb 0.28 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1bsa h ASP 12 CO -0.26 1.08 0.06 0.22 -1.72 0.00 0.00 179.24 178.62 1bsa h TYR 13 N 0.97 0.17 -0.58 4.55 5.03 -1.28 -1.68 116.97 124.15 1bsa h TYR 13 Ca 0.18 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.48 1bsa h TYR 13 Cb 0.53 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.73 1bsa h TYR 13 CO 0.04 0.21 0.37 -0.07 -1.32 0.00 0.00 178.16 177.39 1bsa h LEU 14 N 0.08 0.69 -0.93 2.82 3.38 -0.85 0.93 115.31 121.43 1bsa h LEU 14 Ca 0.04 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1bsa h LEU 14 Cb 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1bsa h LEU 14 CO -0.01 0.52 -0.37 1.56 0.09 0.00 0.00 178.44 180.23 1bsa h GLN 15 N 0.79 0.31 0.13 1.13 4.20 -1.40 0.21 115.11 120.48 1bsa h GLN 15 Ca 0.21 -0.14 -0.32 0.00 0.06 0.00 0.00 58.65 58.46 1bsa h GLN 15 Cb -0.05 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1bsa h GLN 15 CO -0.04 0.65 -1.67 1.15 -0.67 0.00 0.00 178.83 178.25 1bsa h THR 16 N 0.27 0.88 -0.01 -0.54 2.02 -1.07 -3.41 112.91 111.04 1bsa h THR 16 Ca 0.03 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.81 1bsa h THR 16 Cb 0.78 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 1bsa h THR 16 CO 0.06 0.78 -0.24 -1.22 0.37 0.00 0.00 175.52 175.27 1bsa n TYR 17 N -3.74 0.00 -3.85 3.16 4.01 0.32 -5.01 117.16 112.05 1bsa n TYR 17 Ca -0.27 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.18 1bsa n TYR 17 Cb 0.98 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 40.04 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 -0.28 -2.35 -3.55 -0.72 8.25 0.72 -4.95 115.22 112.34 1bsa n HIS 18 Ca 0.04 0.92 -0.09 0.00 -0.26 0.00 0.00 57.72 58.33 1bsa n HIS 18 Cb 0.23 -4.17 -0.04 0.00 1.12 0.00 0.00 29.99 27.13 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 -6.51 0.67 0.60 -0.41 -2.85 -1.26 -5.08 119.74 104.91 1bsa s LYS 19 Ca 0.59 -0.07 -0.15 0.00 -1.00 0.00 0.00 55.97 55.33 1bsa s LYS 19 Cb -0.29 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 35.76 1bsa s LYS 19 CO 0.81 -0.26 1.05 -0.51 0.10 0.00 0.00 175.35 176.54 1bsa s LEU 20 N -1.80 3.46 0.99 2.77 1.43 -1.26 -4.10 118.68 120.17 1bsa s LEU 20 Ca 0.02 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 54.75 1bsa s LEU 20 Cb -0.01 -4.52 0.19 0.00 0.03 0.00 0.00 46.19 41.88 1bsa s LEU 20 CO -0.03 -1.11 1.09 -2.84 0.23 0.00 0.00 176.35 173.68 1bsa s PRO 21 N -4.22 0.45 0.63 1.29 0.02 -1.26 -4.92 135.00 126.99 1bsa s PRO 21 Ca 0.62 1.07 0.34 0.00 0.02 0.00 0.00 61.00 63.06 1bsa s PRO 21 Cb -0.15 -1.70 1.96 0.00 0.02 0.00 0.00 34.50 34.63 1bsa s PRO 21 CO 0.39 -2.86 2.21 -0.44 -0.33 0.00 0.00 177.00 175.96 1bsa h ASP 22 N -2.01 0.00 0.00 2.53 3.32 -1.96 -2.56 116.42 115.74 1bsa h ASP 22 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1bsa h ASP 22 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1bsa h ASP 22 CO 0.49 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.55 1bsa n ASN 23 N -3.46 0.00 -4.92 6.45 6.94 -1.26 -4.85 115.26 114.16 1bsa n ASN 23 Ca -0.02 -0.97 -0.29 0.00 -0.02 0.00 0.00 54.58 53.28 1bsa n ASN 23 Cb 0.19 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.57 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 -2.00 3.50 0.01 -2.53 2.02 -0.97 -1.68 117.35 115.70 1bsa s TYR 24 Ca 0.29 0.28 -0.09 0.00 -0.37 0.00 0.00 57.07 57.19 1bsa s TYR 24 Cb 0.13 -1.79 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 1bsa s TYR 24 CO 0.22 0.52 0.17 0.96 -1.57 0.00 0.00 175.55 175.86 1bsa s ILE 25 N -1.63 0.09 0.82 2.71 -4.36 -0.76 -4.89 121.20 113.17 1bsa s ILE 25 Ca 0.36 -0.76 -0.12 0.00 -0.26 0.00 0.00 60.65 59.87 1bsa s ILE 25 Cb -0.12 -0.64 0.08 0.00 1.25 0.00 0.00 42.46 43.04 1bsa s ILE 25 CO 0.28 -0.42 1.17 0.42 0.24 0.00 0.00 174.94 176.63 1bsa s THR 26 N -1.83 2.04 0.36 8.37 -4.23 -1.13 0.48 115.64 119.69 1bsa s THR 26 Ca -0.11 0.01 0.09 0.00 -1.18 0.00 0.00 61.69 60.50 1bsa s THR 26 Cb -0.05 -2.99 0.11 0.00 1.34 0.00 0.00 72.50 70.92 1bsa s THR 26 CO -0.00 -0.02 1.83 0.11 -0.54 0.00 0.00 174.62 176.01 1bsa h LYS 27 N -1.10 0.21 -0.37 3.99 1.57 -1.96 -1.64 116.57 117.27 1bsa h LYS 27 Ca -0.46 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.09 1bsa h LYS 27 Cb 1.33 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 1bsa h LYS 27 CO 0.65 0.45 -0.38 0.66 -0.57 0.00 0.00 179.45 180.27 1bsa h SER 28 N 0.19 0.98 -0.25 0.86 4.64 -1.99 0.20 113.55 118.17 1bsa h SER 28 Ca 0.03 -0.47 -0.19 0.00 -0.47 0.00 0.00 61.79 60.69 1bsa h SER 28 Cb 0.55 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1bsa h SER 28 CO 0.04 1.25 -0.57 1.05 -0.87 0.00 0.00 176.83 177.72 1bsa h GLU 29 N 0.72 0.86 -0.35 4.77 4.11 -1.90 -1.67 114.58 121.12 1bsa h GLU 29 Ca 0.06 -0.56 -0.16 0.00 0.07 0.00 0.00 59.36 58.77 1bsa h GLU 29 Cb 0.98 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1bsa h GLU 29 CO 0.09 1.19 -0.42 0.00 0.07 0.00 0.00 179.01 179.95 1bsa h ALA 30 N 0.69 0.52 -0.15 1.06 0.00 -1.15 -0.99 119.26 119.24 1bsa h ALA 30 Ca 0.01 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.48 1bsa h ALA 30 Cb 1.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1bsa h ALA 30 CO 0.13 0.64 0.00 1.96 0.00 0.00 0.00 179.25 181.98 1bsa h GLN 31 N 0.70 0.05 -0.39 0.00 4.20 -0.53 -0.03 115.11 119.11 1bsa h GLN 31 Ca 0.05 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.82 1bsa h GLN 31 Cb 1.01 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.72 1bsa h GLN 31 CO 0.10 0.03 0.04 0.00 -0.67 0.00 0.00 178.83 178.34 1bsa h ALA 32 N 1.12 0.39 0.00 3.87 0.00 -1.13 -1.37 119.26 122.14 1bsa h ALA 32 Ca 0.07 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1bsa h ALA 32 Cb 0.08 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1bsa h ALA 32 CO -0.11 -0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.06 1bsa n LEU 33 N -5.14 0.00 0.00 0.00 4.77 -0.39 -4.82 117.00 111.42 1bsa n LEU 33 Ca 0.02 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1bsa n LEU 33 Cb 0.19 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1bsa n LEU 33 CO 0.22 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.64 1bsa n GLY 34 N -0.81 1.21 3.71 -0.72 0.00 -0.52 -4.88 105.19 103.18 1bsa n GLY 34 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 2.93 -0.29 1.61 -0.00 -0.07 -4.91 118.94 116.22 1bsa s TRP 35 Ca 0.00 0.67 0.00 0.00 -0.00 0.00 0.00 56.10 56.78 1bsa s TRP 35 Cb 0.00 -3.82 0.09 0.00 -0.00 0.00 0.00 33.47 29.73 1bsa s TRP 35 CO 0.00 -3.08 0.05 0.08 -0.00 0.00 0.00 176.95 174.00 1bsa s VAL 36 N 1.69 1.24 0.18 5.86 1.01 -1.26 -4.44 120.40 124.67 1bsa s VAL 36 Ca 0.68 -1.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 1bsa s VAL 36 Cb -0.39 -1.81 0.12 0.00 0.00 0.00 0.00 36.38 34.29 1bsa s VAL 36 CO 0.30 -0.48 1.63 0.00 0.00 0.00 0.00 175.10 176.55 1bsa h ALA 37 N 7.99 0.11 0.00 5.51 0.00 -1.99 -0.86 119.26 130.02 1bsa h ALA 37 Ca -0.13 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1bsa h ALA 37 Cb 1.04 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1bsa h ALA 37 CO 0.45 -0.56 0.00 0.43 0.00 0.00 0.00 179.25 179.57 1bsa n SER 38 N -5.39 0.10 0.03 0.00 7.64 -1.26 -2.15 113.62 112.58 1bsa n SER 38 Ca 0.03 0.52 0.12 0.00 1.01 0.00 0.00 58.87 60.55 1bsa n SER 38 Cb 0.30 -0.54 0.09 0.00 -1.01 0.00 0.00 64.21 63.05 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 0.23 -3.41 1.43 4.01 -0.36 -4.99 118.16 113.46 1bsa n LYS 39 Ca 0.04 0.02 -0.24 0.00 -0.51 0.00 0.00 58.31 57.62 1bsa n LYS 39 Cb 0.20 -1.60 0.06 0.00 -0.51 0.00 0.00 35.03 33.19 1bsa n LYS 39 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1bsa n GLY 40 N 1.39 -0.54 1.36 0.72 0.00 -0.92 -4.94 105.19 102.26 1bsa n GLY 40 Ca 0.03 0.21 0.09 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.84 4.42 -0.24 1.61 6.94 -1.25 -3.86 115.26 120.03 1bsa n ASN 41 Ca -0.03 -2.49 0.05 0.00 -0.02 0.00 0.00 54.58 52.08 1bsa n ASN 41 Cb 0.58 -0.53 0.16 0.00 -2.36 0.00 0.00 39.78 37.64 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 3.43 -0.15 0.00 -4.53 5.85 -1.87 0.38 115.31 118.42 1bsa h LEU 42 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1bsa h LEU 42 Cb 1.37 0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.66 1bsa h LEU 42 CO 0.21 -0.10 0.00 0.00 -0.34 0.00 0.00 178.44 178.21 1bsa n ALA 43 N -2.77 2.37 -0.10 1.25 0.00 -1.26 0.88 120.51 120.88 1bsa n ALA 43 Ca 0.13 -0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.22 1bsa n ALA 43 Cb 0.46 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 18.40 1bsa n ALA 43 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bsa n ASP 44 N -1.01 2.01 0.08 0.00 8.00 0.13 -3.72 116.55 122.03 1bsa n ASP 44 Ca 0.17 0.02 0.11 0.00 0.71 0.00 0.00 54.79 55.81 1bsa n ASP 44 Cb 0.08 -0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 40.56 1bsa n ASP 44 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1bsa n VAL 45 N -3.47 0.50 -3.02 2.53 0.24 -0.92 -4.64 118.33 109.56 1bsa n VAL 45 Ca -0.43 -0.54 -0.17 0.00 -2.04 0.00 0.00 64.34 61.16 1bsa n VAL 45 Cb 0.98 -0.28 -0.01 0.00 -1.47 0.00 0.00 33.84 33.06 1bsa n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bsa n ALA 46 N -2.20 0.93 -1.63 2.33 0.00 0.25 -4.95 120.51 115.24 1bsa n ALA 46 Ca -0.01 -2.63 -0.46 0.00 0.00 0.00 0.00 53.44 50.33 1bsa n ALA 46 Cb 0.56 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 1bsa n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bsa n PRO 47 N 1.11 1.66 0.00 0.00 -0.02 -1.24 -2.36 135.00 134.14 1bsa n PRO 47 Ca 0.17 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1bsa n PRO 47 Cb 0.60 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1bsa n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bsa n GLY 48 N 2.03 2.84 3.83 -1.23 0.00 -1.26 -5.03 105.19 106.38 1bsa n GLY 48 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.14 4.11 0.10 1.61 3.01 -1.00 -4.90 119.74 122.54 1bsa s LYS 49 Ca 0.00 0.83 0.05 0.00 -1.01 0.00 0.00 55.97 55.84 1bsa s LYS 49 Cb 0.00 -2.45 -0.03 0.00 -1.01 0.00 0.00 37.83 34.34 1bsa s LYS 49 CO 0.00 0.15 -0.14 -1.12 0.51 0.00 0.00 175.35 174.75 1bsa s SER 50 N -2.14 1.85 0.11 2.83 0.01 -0.68 -4.86 113.70 110.82 1bsa s SER 50 Ca 0.54 -0.74 -0.19 0.00 1.31 0.00 0.00 55.95 56.87 1bsa s SER 50 Cb -0.11 -0.06 -0.07 0.00 0.21 0.00 0.00 66.02 65.99 1bsa s SER 50 CO 0.17 -0.13 0.60 0.68 0.41 0.00 0.00 173.24 174.97 1bsa s VAL 51 N -1.85 4.71 -0.16 3.43 -7.23 -1.26 -1.84 120.40 116.21 1bsa s VAL 51 Ca 0.05 1.20 -0.34 0.00 -1.81 0.00 0.00 61.98 61.07 1bsa s VAL 51 Cb -0.07 -3.89 0.14 0.00 0.56 0.00 0.00 36.38 33.12 1bsa s VAL 51 CO 0.02 0.47 1.21 -0.83 -0.31 0.00 0.00 175.10 175.67 1bsa s GLY 52 N -1.26 -0.31 0.00 2.32 0.00 0.18 -1.90 107.32 106.35 1bsa s GLY 52 Ca 0.32 1.47 0.00 0.00 0.00 0.00 0.00 44.72 46.52 1bsa s GLY 52 CO 0.20 0.48 0.00 0.61 0.00 0.00 0.00 173.10 174.39 1bsa n GLY 53 N -0.14 0.34 3.81 0.20 0.00 0.50 -2.83 105.19 107.06 1bsa n GLY 53 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.42 6.70 0.32 1.61 1.01 -1.22 -4.70 116.67 117.97 1bsa s ASP 54 Ca 0.00 1.82 -0.29 0.00 0.71 0.00 0.00 52.55 54.80 1bsa s ASP 54 Cb 0.00 -2.55 -0.10 0.00 1.01 0.00 0.00 42.92 41.27 1bsa s ASP 54 CO 0.00 -0.53 1.33 -0.63 0.21 0.00 0.00 175.17 175.55 1bsa s ILE 55 N -2.03 2.71 -0.30 0.77 -1.09 -1.26 -0.42 121.20 119.58 1bsa s ILE 55 Ca 0.63 0.70 -0.03 0.00 -2.23 0.00 0.00 60.65 59.71 1bsa s ILE 55 Cb -0.14 -3.44 0.04 0.00 -1.58 0.00 0.00 42.46 37.34 1bsa s ILE 55 CO 0.18 0.16 0.02 0.12 -1.23 0.00 0.00 174.94 174.18 1bsa s PHE 56 N -0.96 3.21 0.38 3.97 5.36 0.08 -4.83 117.98 125.19 1bsa s PHE 56 Ca 0.50 -1.60 0.07 0.00 -0.96 0.00 0.00 56.93 54.95 1bsa s PHE 56 Cb -0.40 -2.15 0.81 0.00 -0.34 0.00 0.00 43.02 40.94 1bsa s PHE 56 CO 0.52 -0.74 1.99 0.66 -1.46 0.00 0.00 175.22 176.18 1bsa h SER 57 N 8.08 0.57 -4.08 6.13 4.64 -1.95 -3.39 113.55 123.55 1bsa h SER 57 Ca -0.25 -0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.84 1bsa h SER 57 Cb 1.08 -0.12 0.09 0.00 -0.31 0.00 0.00 62.40 63.14 1bsa h SER 57 CO 0.56 0.38 -0.44 -3.20 -0.87 0.00 0.00 176.83 173.26 1bsa n ASN 58 N -4.47 -3.64 0.17 4.97 5.15 -1.26 -4.98 115.26 111.18 1bsa n ASN 58 Ca 0.09 -0.35 0.10 0.00 -0.60 0.00 0.00 54.58 53.81 1bsa n ASN 58 Cb 0.21 -3.31 0.09 0.00 -0.53 0.00 0.00 39.78 36.24 1bsa n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1bsa h ARG 59 N -1.47 0.00 0.00 1.20 3.08 -2.00 -3.20 114.38 111.99 1bsa h ARG 59 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1bsa h ARG 59 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1bsa h ARG 59 CO 0.33 0.10 0.00 0.93 -1.07 0.00 0.00 179.97 180.26 1bsa h GLU 60 N 0.00 0.00 -5.46 0.04 5.08 -1.99 -3.47 114.58 108.78 1bsa h GLU 60 Ca -0.01 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.93 1bsa h GLU 60 Cb 1.10 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.35 1bsa h GLU 60 CO 0.01 0.00 -0.65 0.41 -1.00 0.00 0.00 179.01 177.78 1bsa n GLY 61 N 0.63 -0.51 0.22 -3.84 0.00 -1.21 -4.97 105.19 95.51 1bsa n GLY 61 Ca 0.04 0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.36 1bsa n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bsa h LYS 62 N -1.68 0.00 -6.43 1.61 1.57 -1.91 -3.44 116.57 106.30 1bsa h LYS 62 Ca -0.53 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.59 1bsa h LYS 62 Cb 1.35 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.50 1bsa h LYS 62 CO 0.59 0.00 -0.72 -0.51 -0.57 0.00 0.00 179.45 178.24 1bsa s LEU 63 N -5.47 3.10 0.15 2.94 1.43 -1.26 -4.92 118.68 114.65 1bsa s LEU 63 Ca 0.03 -0.27 -0.31 0.00 -1.03 0.00 0.00 54.13 52.54 1bsa s LEU 63 Cb 0.09 -1.84 -0.10 0.00 0.03 0.00 0.00 46.19 44.36 1bsa s LEU 63 CO 0.49 0.23 1.72 -2.16 0.23 0.00 0.00 176.35 176.85 1bsa s PRO 64 N -1.84 4.16 0.48 1.29 0.04 -1.26 -5.03 135.00 132.84 1bsa s PRO 64 Ca 0.20 2.51 0.01 0.00 0.04 0.00 0.00 61.00 63.75 1bsa s PRO 64 Cb -0.11 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 31.09 1bsa s PRO 64 CO 0.11 -0.75 0.71 0.20 0.04 0.00 0.00 177.00 177.31 1bsa s GLY 65 N 1.87 1.67 -0.29 0.56 0.00 -1.26 -5.09 107.32 104.78 1bsa s GLY 65 Ca 0.76 -1.16 -0.26 0.00 0.00 0.00 0.00 44.72 44.06 1bsa s GLY 65 CO 0.33 -0.95 1.32 1.25 0.00 0.00 0.00 173.10 175.05 1bsa s LYS 66 N -4.62 0.19 -0.26 2.90 2.20 -1.26 -5.07 119.74 113.81 1bsa s LYS 66 Ca 0.52 0.19 -0.38 0.00 -0.36 0.00 0.00 55.97 55.93 1bsa s LYS 66 Cb -0.10 0.09 -0.14 0.00 -1.51 0.00 0.00 37.83 36.17 1bsa s LYS 66 CO 0.38 -0.03 1.85 0.43 -0.36 0.00 0.00 175.35 177.62 1bsa n SER 67 N 1.59 2.53 0.00 1.43 7.64 -1.26 -1.46 113.62 124.10 1bsa n SER 67 Ca -0.10 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.73 1bsa n SER 67 Cb 0.57 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 1bsa n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bsa n GLY 68 N 4.69 0.89 3.72 0.23 0.00 -1.26 -5.02 105.19 108.44 1bsa n GLY 68 Ca 0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.04 4.57 -0.01 1.61 3.52 -0.53 -4.98 118.95 123.08 1bsa s ARG 69 Ca 0.00 1.26 0.03 0.00 -0.13 0.00 0.00 55.73 56.90 1bsa s ARG 69 Cb 0.00 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.95 1bsa s ARG 69 CO 0.00 0.12 -0.10 0.99 -0.81 0.00 0.00 175.30 175.51 1bsa s THR 70 N 0.43 3.43 -0.04 4.11 2.01 -1.26 -4.79 115.64 119.52 1bsa s THR 70 Ca 0.45 -0.77 0.05 0.00 0.31 0.00 0.00 61.69 61.73 1bsa s THR 70 Cb -0.21 -2.44 -0.02 0.00 0.01 0.00 0.00 72.50 69.83 1bsa s THR 70 CO 0.26 0.46 -0.19 0.26 -0.69 0.00 0.00 174.62 174.72 1bsa s TRP 71 N -0.91 2.56 0.16 4.92 0.52 -1.26 -1.47 118.94 123.46 1bsa s TRP 71 Ca 0.15 -0.27 0.05 0.00 0.02 0.00 0.00 56.10 56.05 1bsa s TRP 71 Cb -0.11 -1.58 -0.04 0.00 -1.15 0.00 0.00 33.47 30.58 1bsa s TRP 71 CO 0.05 0.10 -0.11 1.03 0.02 0.00 0.00 176.95 178.03 1bsa s ARG 72 N -0.67 1.11 0.17 4.98 0.52 -0.72 -0.74 118.95 123.60 1bsa s ARG 72 Ca 0.10 -1.47 0.04 0.00 -0.52 0.00 0.00 55.73 53.88 1bsa s ARG 72 Cb -0.10 -0.73 -0.05 0.00 0.52 0.00 0.00 34.95 34.59 1bsa s ARG 72 CO 0.00 0.10 -0.06 -1.83 0.02 0.00 0.00 175.30 173.53 1bsa s GLU 73 N -3.68 1.11 -0.12 3.54 -1.05 0.44 -1.58 118.70 117.37 1bsa s GLU 73 Ca 0.17 -1.51 -0.11 0.00 -0.15 0.00 0.00 54.97 53.37 1bsa s GLU 73 Cb 0.02 -0.52 0.03 0.00 -0.44 0.00 0.00 34.13 33.22 1bsa s GLU 73 CO 0.02 -0.01 0.32 0.00 0.95 0.00 0.00 175.26 176.54 1bsa s ALA 74 N -3.44 -0.79 0.33 -0.84 0.00 -0.47 -0.37 121.76 116.17 1bsa s ALA 74 Ca 0.20 0.89 -0.26 0.00 0.00 0.00 0.00 51.96 52.79 1bsa s ALA 74 Cb 0.04 -0.51 -0.10 0.00 0.00 0.00 0.00 23.12 22.55 1bsa s ALA 74 CO 0.02 -0.16 0.97 -0.51 0.00 0.00 0.00 175.76 176.09 1bsa s ASP 75 N 0.13 7.26 0.07 0.00 1.11 -0.80 -0.69 116.67 123.75 1bsa s ASP 75 Ca -0.00 1.91 0.10 0.00 0.18 0.00 0.00 52.55 54.73 1bsa s ASP 75 Cb -0.02 -2.59 -0.03 0.00 1.07 0.00 0.00 42.92 41.35 1bsa s ASP 75 CO 0.01 -0.13 -0.26 -0.63 1.18 0.00 0.00 175.17 175.34 1bsa s ILE 76 N -1.56 2.13 -0.35 0.77 -1.09 -0.94 -4.74 121.20 115.43 1bsa s ILE 76 Ca 0.50 -1.47 0.00 0.00 -2.23 0.00 0.00 60.65 57.45 1bsa s ILE 76 Cb -0.21 -1.84 0.00 0.00 -1.58 0.00 0.00 42.46 38.83 1bsa s ILE 76 CO 0.26 0.28 0.00 0.59 -1.23 0.00 0.00 174.94 174.84 1bsa n ASN 77 N 1.55 -4.78 -4.72 3.58 3.02 0.58 -4.55 115.26 109.95 1bsa n ASN 77 Ca -0.17 0.08 -0.42 0.00 -0.03 0.00 0.00 54.58 54.04 1bsa n ASN 77 Cb 0.52 -2.57 -0.04 0.00 -0.61 0.00 0.00 39.78 37.09 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 -1.66 3.70 0.05 3.10 5.04 -1.26 -4.93 117.35 121.39 1bsa s TYR 78 Ca 0.00 1.71 0.00 0.00 -2.44 0.00 0.00 57.07 56.34 1bsa s TYR 78 Cb 0.00 -3.12 0.00 0.00 0.35 0.00 0.00 41.96 39.19 1bsa s TYR 78 CO 0.00 -0.03 0.00 0.25 -1.34 0.00 0.00 175.55 174.43 1bsa n THR 79 N 3.44 0.44 -3.56 4.34 -2.24 -1.26 -4.94 114.28 110.50 1bsa n THR 79 Ca 0.05 0.14 -0.09 0.00 -2.27 0.00 0.00 64.05 61.89 1bsa n THR 79 Cb 0.50 -1.41 -0.02 0.00 -2.10 0.00 0.00 70.33 67.30 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 -5.35 -0.39 0.00 3.42 1.04 -1.26 -4.78 113.70 106.38 1bsa s SER 80 Ca 0.00 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1bsa s SER 80 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1bsa s SER 80 CO 0.00 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.95 1bsa n GLY 81 N -0.35 -0.31 3.78 7.32 0.00 -1.26 -4.90 105.19 109.48 1bsa n GLY 81 Ca -0.10 -1.56 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 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 2.94 0.47 1.61 0.08 -1.25 -4.45 117.98 117.38 1bsa s PHE 82 Ca 0.00 1.57 -0.23 0.00 0.12 0.00 0.00 56.93 58.39 1bsa s PHE 82 Cb 0.00 -3.22 -0.09 0.00 -0.57 0.00 0.00 43.02 39.15 1bsa s PHE 82 CO 0.00 -1.15 1.05 0.54 -0.10 0.00 0.00 175.22 175.56 1bsa n ARG 83 N -0.74 1.36 -0.22 0.44 1.74 -1.26 -5.01 116.66 112.97 1bsa n ARG 83 Ca 0.08 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 1bsa n ARG 83 Cb 0.50 -2.15 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 1bsa n ARG 83 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1bsa n ASN 84 N 0.11 0.00 -0.98 0.55 0.23 -1.26 -5.02 115.26 108.89 1bsa n ASN 84 Ca 0.10 -0.59 0.12 0.00 -0.53 0.00 0.00 54.58 53.68 1bsa n ASN 84 Cb 0.41 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 38.27 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 -1.76 3.01 -4.76 0.53 3.41 -1.26 -4.95 113.62 107.83 1bsa n SER 85 Ca 0.00 -1.97 -0.37 0.00 -0.26 0.00 0.00 58.87 56.27 1bsa n SER 85 Cb 0.00 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 63.83 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 -1.88 6.60 -0.01 4.04 1.01 -1.26 -2.65 116.67 122.52 1bsa s ASP 86 Ca 0.31 0.71 -0.06 0.00 0.71 0.00 0.00 52.55 54.22 1bsa s ASP 86 Cb 0.21 -2.22 0.00 0.00 1.01 0.00 0.00 42.92 41.92 1bsa s ASP 86 CO 0.31 0.15 0.12 -0.13 0.21 0.00 0.00 175.17 175.82 1bsa s ARG 87 N 0.01 0.38 -0.09 8.23 1.81 -0.50 -2.23 118.95 126.58 1bsa s ARG 87 Ca 0.21 -0.28 -0.01 0.00 -1.72 0.00 0.00 55.73 53.92 1bsa s ARG 87 Cb -0.14 0.16 -0.03 0.00 -0.45 0.00 0.00 34.95 34.48 1bsa s ARG 87 CO 0.08 -0.08 -0.03 -1.50 -0.68 0.00 0.00 175.30 173.09 1bsa s ILE 88 N -1.04 4.02 -0.13 1.52 2.07 0.13 -1.67 121.20 126.10 1bsa s ILE 88 Ca -0.11 -0.35 0.01 0.00 -1.41 0.00 0.00 60.65 58.78 1bsa s ILE 88 Cb -0.06 -2.68 -0.01 0.00 0.13 0.00 0.00 42.46 39.84 1bsa s ILE 88 CO 0.01 0.59 -0.16 -0.76 -1.91 0.00 0.00 174.94 172.71 1bsa s LEU 89 N -0.69 2.54 -0.03 8.50 2.01 0.42 -1.37 118.68 130.06 1bsa s LEU 89 Ca 0.11 -0.41 0.01 0.00 0.01 0.00 0.00 54.13 53.84 1bsa s LEU 89 Cb -0.12 -1.56 0.02 0.00 0.01 0.00 0.00 46.19 44.55 1bsa s LEU 89 CO 0.02 0.14 -0.01 -0.72 1.01 0.00 0.00 176.35 176.79 1bsa s TYR 90 N 0.49 0.35 0.68 0.29 1.13 -0.61 -0.77 117.35 118.91 1bsa s TYR 90 Ca -0.11 -0.02 -0.07 0.00 -1.41 0.00 0.00 57.07 55.46 1bsa s TYR 90 Cb -0.16 -0.41 0.05 0.00 -1.10 0.00 0.00 41.96 40.34 1bsa s TYR 90 CO 0.05 -0.12 1.00 -1.54 -2.51 0.00 0.00 175.55 172.42 1bsa s SER 91 N 0.91 4.98 0.57 -0.18 1.04 -0.73 -1.75 113.70 118.55 1bsa s SER 91 Ca -0.10 0.53 0.31 0.00 0.48 0.00 0.00 55.95 57.17 1bsa s SER 91 Cb -0.13 -1.25 1.73 0.00 0.10 0.00 0.00 66.02 66.47 1bsa s SER 91 CO -0.01 -1.49 2.19 0.77 0.98 0.00 0.00 173.24 175.67 1bsa h SER 92 N -0.53 0.00 -0.48 7.02 4.64 -1.61 -0.05 113.55 122.55 1bsa h SER 92 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1bsa h SER 92 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1bsa h SER 92 CO 0.61 0.05 0.00 -0.90 -0.87 0.00 0.00 176.83 175.71 1bsa n ASP 93 N -3.66 3.99 -2.86 4.97 5.75 -1.26 -5.01 116.55 118.47 1bsa n ASP 93 Ca -0.02 -2.42 -0.20 0.00 -0.01 0.00 0.00 54.79 52.13 1bsa n ASP 93 Cb 0.15 -0.46 0.04 0.00 -1.03 0.00 0.00 41.12 39.82 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 0.60 -2.01 -3.05 2.11 7.02 -0.03 -5.01 117.44 117.06 1bsa n TRP 94 Ca 0.21 0.61 -0.39 0.00 -1.02 0.00 0.00 57.50 56.91 1bsa n TRP 94 Cb 0.74 -4.25 -0.06 0.00 -2.42 0.00 0.00 31.31 25.32 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 -6.14 4.53 -0.10 -0.99 1.43 -1.26 -4.86 118.68 111.29 1bsa s LEU 95 Ca 0.35 1.54 0.03 0.00 -1.03 0.00 0.00 54.13 55.03 1bsa s LEU 95 Cb -0.16 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1bsa s LEU 95 CO 0.44 0.18 -0.22 -0.63 0.23 0.00 0.00 176.35 176.35 1bsa s ILE 96 N -1.22 1.90 0.15 -0.59 -1.09 -1.22 -1.77 121.20 117.36 1bsa s ILE 96 Ca 0.36 -0.92 0.05 0.00 -2.23 0.00 0.00 60.65 57.91 1bsa s ILE 96 Cb -0.21 -1.66 -0.04 0.00 -1.58 0.00 0.00 42.46 38.97 1bsa s ILE 96 CO 0.24 0.52 -0.10 -0.31 -1.23 0.00 0.00 174.94 174.06 1bsa s TYR 97 N 0.49 1.31 0.08 3.97 1.51 0.05 -0.52 117.35 124.24 1bsa s TYR 97 Ca -0.16 -0.75 0.02 0.00 -1.01 0.00 0.00 57.07 55.16 1bsa s TYR 97 Cb -0.17 -0.67 -0.04 0.00 -0.11 0.00 0.00 41.96 40.98 1bsa s TYR 97 CO 0.06 0.10 -0.07 -1.59 -1.11 0.00 0.00 175.55 172.94 1bsa s LYS 98 N -3.75 0.71 0.00 -0.62 -2.85 -0.28 -0.44 119.74 112.52 1bsa s LYS 98 Ca 0.18 -1.12 0.02 0.00 -1.00 0.00 0.00 55.97 54.05 1bsa s LYS 98 Cb 0.02 -0.22 -0.01 0.00 -2.06 0.00 0.00 37.83 35.57 1bsa s LYS 98 CO 0.01 0.00 -0.07 -0.08 0.10 0.00 0.00 175.35 175.32 1bsa s THR 99 N -2.81 0.51 0.00 3.79 -1.32 -0.67 -0.83 115.64 114.31 1bsa s THR 99 Ca 0.04 -0.42 0.00 0.00 -1.21 0.00 0.00 61.69 60.10 1bsa s THR 99 Cb -0.00 -0.46 0.00 0.00 -1.51 0.00 0.00 72.50 70.53 1bsa s THR 99 CO -0.03 0.04 0.62 0.35 -2.21 0.00 0.00 174.62 173.39 1bsa n THR 100 N 2.65 0.38 -2.63 5.08 -2.24 -1.26 -1.40 114.28 114.85 1bsa n THR 100 Ca -0.15 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.06 1bsa n THR 100 Cb 0.57 0.95 0.03 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.19 2.25 -3.61 3.42 5.68 -1.22 -4.53 116.55 118.34 1bsa n ASP 101 Ca 0.00 -2.70 -0.22 0.00 -0.50 0.00 0.00 54.79 51.37 1bsa n ASP 101 Cb 0.28 -0.48 0.04 0.00 -1.14 0.00 0.00 41.12 39.82 1bsa n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1bsa n HIS 102 N -0.37 -2.01 -1.81 2.11 8.25 -1.09 -2.69 115.22 117.62 1bsa n HIS 102 Ca 0.16 0.78 -0.15 0.00 -0.26 0.00 0.00 57.72 58.25 1bsa n HIS 102 Cb 0.81 -4.24 -0.04 0.00 1.12 0.00 0.00 29.99 27.64 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 -4.09 -0.31 0.05 4.41 4.01 -1.26 -4.90 117.16 115.06 1bsa n TYR 103 Ca -0.23 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.31 1bsa n TYR 103 Cb 0.65 -2.85 -0.13 0.00 -0.31 0.00 0.00 39.34 36.70 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 -4.38 -0.72 4.20 -1.93 -3.47 115.11 109.26 1bsa h GLN 104 Ca -0.33 -0.59 -0.24 0.00 0.06 0.00 0.00 58.65 57.55 1bsa h GLN 104 Cb 1.10 0.20 -0.21 0.00 0.30 0.00 0.00 27.48 28.86 1bsa h GLN 104 CO 0.44 1.24 -0.72 0.95 -0.67 0.00 0.00 178.83 180.06 1bsa s THR 105 N -2.87 0.40 0.06 -0.54 -4.23 -1.26 -5.10 115.64 102.10 1bsa s THR 105 Ca -0.12 -1.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.44 1bsa s THR 105 Cb 0.03 -0.49 -0.03 0.00 1.34 0.00 0.00 72.50 73.35 1bsa s THR 105 CO 0.86 -0.40 -0.13 -0.36 -0.54 0.00 0.00 174.62 174.05 1bsa s PHE 106 N -1.36 1.10 -0.04 3.99 0.08 -1.26 -4.35 117.98 116.15 1bsa s PHE 106 Ca -0.11 -0.43 0.04 0.00 0.12 0.00 0.00 56.93 56.55 1bsa s PHE 106 Cb -0.10 -0.63 -0.00 0.00 -0.57 0.00 0.00 43.02 41.71 1bsa s PHE 106 CO -0.00 0.03 -0.16 0.99 -0.10 0.00 0.00 175.22 175.97 1bsa s THR 107 N -1.16 1.36 0.21 0.64 2.01 -0.01 -4.92 115.64 113.78 1bsa s THR 107 Ca -0.02 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 1bsa s THR 107 Cb -0.09 -1.16 -0.08 0.00 0.01 0.00 0.00 72.50 71.17 1bsa s THR 107 CO 0.02 0.39 1.05 -0.75 -0.69 0.00 0.00 174.62 174.64 1bsa s LYS 108 N -0.02 4.67 -0.00 4.92 2.20 -1.26 -1.13 119.74 129.13 1bsa s LYS 108 Ca -0.02 1.66 0.02 0.00 -0.36 0.00 0.00 55.97 57.27 1bsa s LYS 108 Cb -0.10 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 32.93 1bsa s LYS 108 CO 0.02 0.22 0.06 0.44 -0.36 0.00 0.00 175.35 175.73 1bsa n ILE 109 N 1.92 0.00 -1.03 5.43 -5.35 0.33 -4.91 119.36 115.75 1bsa n ILE 109 Ca 0.01 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 1bsa n ILE 109 Cb 0.46 0.88 0.00 0.00 -1.74 0.00 0.00 39.64 39.24 1bsa n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33