#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3s s ILE 4 N 0.00 3.83 -0.01 2.52 1.01 -1.26 -4.63 121.20 122.66 1b3s s ILE 4 Ca 0.00 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.12 1b3s s ILE 4 Cb 0.00 -4.89 0.02 0.00 0.01 0.00 0.00 42.46 37.60 1b3s s ILE 4 CO 0.00 -1.79 0.84 -0.46 0.00 0.00 0.00 174.94 173.53 1b3s n ASN 5 N 9.65 1.26 -4.77 3.58 6.94 -1.26 -4.75 115.26 125.91 1b3s n ASN 5 Ca 0.30 -1.73 -0.23 0.00 -0.02 0.00 0.00 54.58 52.90 1b3s n ASN 5 Cb 0.50 -0.04 -0.05 0.00 -2.36 0.00 0.00 39.78 37.83 1b3s n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1b3s s THR 6 N -0.74 4.18 0.09 5.53 -4.23 -1.26 -0.52 115.64 118.68 1b3s s THR 6 Ca 0.02 -1.50 -0.29 0.00 -1.18 0.00 0.00 61.69 58.75 1b3s s THR 6 Cb 0.02 -3.23 -0.12 0.00 1.34 0.00 0.00 72.50 70.51 1b3s s THR 6 CO 0.00 -0.32 1.46 -0.26 -0.54 0.00 0.00 174.62 174.96 1b3s h PHE 7 N 1.73 -1.32 -0.08 3.99 0.04 -1.98 0.50 116.94 119.83 1b3s h PHE 7 Ca -0.47 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.34 1b3s h PHE 7 Cb 1.24 0.57 -0.00 0.00 2.20 0.00 0.00 35.95 39.95 1b3s h PHE 7 CO 0.59 -0.49 0.04 0.22 -0.60 0.00 0.00 178.31 178.08 1b3s h ASP 8 N -0.59 0.09 0.33 2.17 3.58 -1.98 0.12 116.42 120.15 1b3s h ASP 8 Ca 0.00 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 1b3s h ASP 8 Cb 0.62 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.61 1b3s h ASP 8 CO -0.28 0.13 -0.47 1.23 -2.88 0.00 0.00 179.24 176.97 1b3s h GLY 9 N 0.05 -1.20 1.12 -0.78 0.00 -1.93 0.43 103.07 100.75 1b3s h GLY 9 Ca 0.03 0.59 -0.04 0.00 0.00 0.00 0.00 47.33 47.91 1b3s h GLY 9 CO -0.00 -0.34 0.29 -2.08 0.00 0.00 0.00 176.54 174.41 1b3s h VAL 10 N -0.83 1.25 -0.67 4.60 2.07 0.03 0.14 116.25 122.84 1b3s h VAL 10 Ca -0.04 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.69 1b3s h VAL 10 Cb 0.76 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1b3s h VAL 10 CO -0.13 0.32 0.44 0.00 0.02 0.00 0.00 177.57 178.22 1b3s h ALA 11 N 1.23 0.85 -0.57 1.67 0.00 -0.55 0.21 119.26 122.10 1b3s h ALA 11 Ca 0.25 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1b3s h ALA 11 Cb 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1b3s h ALA 11 CO -0.02 0.25 0.15 0.22 0.00 0.00 0.00 179.25 179.86 1b3s h ASP 12 N 0.88 0.85 -0.10 0.00 3.58 0.49 -1.45 116.42 120.69 1b3s h ASP 12 Ca 0.25 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 1b3s h ASP 12 Cb -0.08 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 40.74 1b3s h ASP 12 CO -0.06 0.85 -0.03 0.22 -2.88 0.00 0.00 179.24 177.34 1b3s h TYR 13 N 0.81 0.21 -0.07 0.28 5.03 -0.43 -2.49 116.97 120.32 1b3s h TYR 13 Ca 0.18 -0.05 0.04 0.00 2.58 0.00 0.00 58.73 61.48 1b3s h TYR 13 Cb 0.32 -0.05 -0.04 0.00 1.55 0.00 0.00 36.73 38.51 1b3s h TYR 13 CO 0.02 0.51 -0.18 -0.07 -1.32 0.00 0.00 178.16 177.13 1b3s h LEU 14 N -0.15 -0.53 -1.14 2.82 3.38 -0.51 -0.03 115.31 119.15 1b3s h LEU 14 Ca 0.02 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.19 1b3s h LEU 14 Cb 0.44 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.36 1b3s h LEU 14 CO 0.01 -0.23 0.60 -0.61 0.09 0.00 0.00 178.44 178.30 1b3s h GLN 15 N -0.25 0.88 0.03 1.13 4.15 -1.26 0.28 115.11 120.07 1b3s h GLN 15 Ca 0.08 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 1b3s h GLN 15 Cb 0.36 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1b3s h GLN 15 CO -0.22 0.59 -0.01 1.15 -1.93 0.00 0.00 178.83 178.41 1b3s h THR 16 N 0.91 1.12 0.00 2.39 2.02 -0.96 -3.39 112.91 115.01 1b3s h THR 16 Ca 0.45 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.89 1b3s h THR 16 Cb 0.47 2.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 1b3s h THR 16 CO -0.21 0.37 -0.86 -1.22 0.37 0.00 0.00 175.52 173.97 1b3s n TYR 17 N -4.71 0.10 -3.59 3.16 4.02 -0.07 -4.98 117.16 111.09 1b3s n TYR 17 Ca -0.07 0.03 -0.20 0.00 -0.01 0.00 0.00 57.90 57.66 1b3s n TYR 17 Cb 0.30 -0.26 0.06 0.00 -0.02 0.00 0.00 39.34 39.42 1b3s n TYR 17 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1b3s n HIS 18 N -1.69 -2.04 -3.72 -0.72 8.25 0.98 -4.97 115.22 111.31 1b3s n HIS 18 Ca 0.04 0.88 -0.02 0.00 -0.26 0.00 0.00 57.72 58.36 1b3s n HIS 18 Cb 0.38 -4.69 -0.01 0.00 1.12 0.00 0.00 29.99 26.79 1b3s n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1b3s s LYS 19 N -5.74 0.99 0.38 -0.41 -2.85 -1.25 -5.08 119.74 105.78 1b3s s LYS 19 Ca 0.02 -0.55 -0.04 0.00 -1.00 0.00 0.00 55.97 54.40 1b3s s LYS 19 Cb -0.01 0.34 -0.04 0.00 -2.06 0.00 0.00 37.83 36.06 1b3s s LYS 19 CO 0.78 -0.45 0.65 -0.51 0.10 0.00 0.00 175.35 175.91 1b3s s LEU 20 N -2.96 3.88 0.72 2.77 1.43 -1.26 -3.91 118.68 119.34 1b3s s LEU 20 Ca 0.13 0.73 -0.14 0.00 -1.03 0.00 0.00 54.13 53.82 1b3s s LEU 20 Cb 0.00 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.64 1b3s s LEU 20 CO 0.01 -0.37 1.13 -2.16 0.23 0.00 0.00 176.35 175.19 1b3s s PRO 21 N -4.23 2.38 0.18 1.29 0.04 -1.26 -4.91 135.00 128.49 1b3s s PRO 21 Ca 0.44 1.45 0.11 0.00 0.04 0.00 0.00 61.00 63.04 1b3s s PRO 21 Cb -0.10 -1.89 0.58 0.00 0.04 0.00 0.00 34.50 33.12 1b3s s PRO 21 CO 0.37 -1.59 1.28 -0.25 0.04 0.00 0.00 177.00 176.85 1b3s n ASP 22 N -2.86 0.28 -0.71 6.66 9.92 -1.26 -2.77 116.55 125.81 1b3s n ASP 22 Ca 0.11 0.58 0.02 0.00 -0.53 0.00 0.00 54.79 54.97 1b3s n ASP 22 Cb 0.52 -0.60 0.09 0.00 -0.64 0.00 0.00 41.12 40.49 1b3s n ASP 22 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1b3s n ASN 23 N -1.86 1.82 -4.35 -2.24 6.94 -1.26 -4.86 115.26 109.45 1b3s n ASN 23 Ca -0.01 -2.17 -0.32 0.00 -0.02 0.00 0.00 54.58 52.06 1b3s n ASN 23 Cb 0.10 -0.46 -0.15 0.00 -2.36 0.00 0.00 39.78 36.92 1b3s n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1b3s s TYR 24 N -1.46 2.69 -0.04 -2.53 2.02 -1.11 -0.31 117.35 116.61 1b3s s TYR 24 Ca 0.12 -0.62 0.05 0.00 -0.37 0.00 0.00 57.07 56.25 1b3s s TYR 24 Cb 0.09 -1.74 -0.01 0.00 -0.40 0.00 0.00 41.96 39.90 1b3s s TYR 24 CO 0.04 -0.16 -0.18 0.96 -1.57 0.00 0.00 175.55 174.64 1b3s s ILE 25 N 0.04 1.51 0.86 2.71 -4.36 0.99 -4.84 121.20 118.10 1b3s s ILE 25 Ca -0.06 -0.77 -0.11 0.00 -0.26 0.00 0.00 60.65 59.45 1b3s s ILE 25 Cb -0.15 -1.28 0.11 0.00 1.25 0.00 0.00 42.46 42.39 1b3s s ILE 25 CO 0.05 0.43 1.10 0.42 0.24 0.00 0.00 174.94 177.18 1b3s s THR 26 N -0.10 2.80 0.18 8.37 -4.23 -1.16 -1.59 115.64 119.91 1b3s s THR 26 Ca -0.01 0.26 -0.19 0.00 -1.18 0.00 0.00 61.69 60.57 1b3s s THR 26 Cb -0.11 -2.62 0.12 0.00 1.34 0.00 0.00 72.50 71.24 1b3s s THR 26 CO 0.02 -0.34 1.61 0.11 -0.54 0.00 0.00 174.62 175.48 1b3s h LYS 27 N -1.49 -0.15 -0.22 3.99 1.57 -1.97 -1.02 116.57 117.29 1b3s h LYS 27 Ca -0.46 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 1b3s h LYS 27 Cb 1.26 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 1b3s h LYS 27 CO 0.50 -0.10 0.11 1.03 -0.57 0.00 0.00 179.45 180.42 1b3s h SER 28 N -0.15 0.28 -0.44 0.86 0.87 -1.99 -0.25 113.55 112.73 1b3s h SER 28 Ca 0.22 -0.11 0.09 0.00 -1.23 0.00 0.00 61.79 60.76 1b3s h SER 28 Cb 0.49 -0.07 -0.08 0.00 -0.44 0.00 0.00 62.40 62.30 1b3s h SER 28 CO -0.56 0.31 -0.08 -0.33 -0.53 0.00 0.00 176.83 175.64 1b3s h GLU 29 N 0.24 0.03 0.00 2.24 5.08 -1.70 -0.46 114.58 120.01 1b3s h GLU 29 Ca 0.08 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1b3s h GLU 29 Cb 0.10 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1b3s h GLU 29 CO -0.01 0.02 -0.45 0.00 -1.00 0.00 0.00 179.01 177.57 1b3s h ALA 30 N 1.43 0.99 -0.69 3.43 0.00 -1.05 -2.96 119.26 120.41 1b3s h ALA 30 Ca 0.22 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1b3s h ALA 30 Cb 0.33 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1b3s h ALA 30 CO -0.43 0.56 0.16 -0.56 0.00 0.00 0.00 179.25 178.98 1b3s h GLN 31 N 0.00 1.11 -0.02 0.00 -0.00 0.48 -0.41 115.11 116.27 1b3s h GLN 31 Ca -0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 58.65 58.38 1b3s h GLN 31 Cb 0.96 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.48 28.30 1b3s h GLN 31 CO 0.06 0.99 0.01 0.00 -0.00 0.00 0.00 178.83 179.89 1b3s h ALA 32 N 1.11 1.94 -0.01 0.06 0.00 -1.01 -1.63 119.26 119.72 1b3s h ALA 32 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1b3s h ALA 32 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1b3s h ALA 32 CO 0.00 -0.02 -0.08 1.28 0.00 0.00 0.00 179.25 180.43 1b3s n LEU 33 N -4.43 1.08 0.00 0.00 4.77 -0.67 -4.92 117.00 112.83 1b3s n LEU 33 Ca -0.03 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1b3s n LEU 33 Cb 0.11 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1b3s n LEU 33 CO 0.33 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1b3s n GLY 34 N 1.21 0.65 3.67 -0.72 0.00 -0.61 -4.79 105.19 104.61 1b3s n GLY 34 Ca 0.17 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.69 1b3s n GLY 34 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1b3s n TRP 35 N -1.18 2.16 -3.86 1.61 -0.00 -0.25 -4.93 117.44 110.99 1b3s n TRP 35 Ca 0.00 0.24 -0.30 0.00 -0.00 0.00 0.00 57.50 57.44 1b3s n TRP 35 Cb 0.00 -2.55 -0.14 0.00 -0.00 0.00 0.00 31.31 28.61 1b3s n TRP 35 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 1b3s s VAL 36 N 2.63 1.78 0.43 5.87 -7.23 -1.26 -4.52 120.40 118.11 1b3s s VAL 36 Ca 0.89 -2.35 0.31 0.00 -1.81 0.00 0.00 61.98 59.02 1b3s s VAL 36 Cb -0.78 -2.29 0.48 0.00 0.56 0.00 0.00 36.38 34.35 1b3s s VAL 36 CO 0.49 -0.73 1.56 0.00 -0.31 0.00 0.00 175.10 176.12 1b3s n ALA 37 N 4.02 1.32 0.94 1.32 0.00 -1.26 0.11 120.51 126.97 1b3s n ALA 37 Ca 0.04 0.89 0.14 0.00 0.00 0.00 0.00 53.44 54.50 1b3s n ALA 37 Cb 0.38 -1.05 0.58 0.00 0.00 0.00 0.00 19.45 19.36 1b3s n ALA 37 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1b3s n SER 38 N -4.78 0.13 0.05 0.00 3.41 -1.26 -3.15 113.62 108.03 1b3s n SER 38 Ca 0.40 0.49 0.11 0.00 -0.26 0.00 0.00 58.87 59.62 1b3s n SER 38 Cb 1.53 -0.52 0.01 0.00 -0.26 0.00 0.00 64.21 64.97 1b3s n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1b3s n LYS 39 N -1.61 0.45 -3.72 4.33 5.02 0.31 -4.98 118.16 117.96 1b3s n LYS 39 Ca 0.07 0.03 -0.23 0.00 -2.02 0.00 0.00 58.31 56.15 1b3s n LYS 39 Cb 0.35 -1.68 0.04 0.00 -0.02 0.00 0.00 35.03 33.72 1b3s n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b3s n GLY 40 N 1.28 -0.35 0.94 0.72 0.00 -1.04 -4.89 105.19 101.85 1b3s n GLY 40 Ca 0.01 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.25 1b3s n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b3s n ASN 41 N -3.01 3.88 -0.17 1.61 6.94 -1.26 -3.85 115.26 119.41 1b3s n ASN 41 Ca -0.21 -2.83 -0.02 0.00 -0.02 0.00 0.00 54.58 51.50 1b3s n ASN 41 Cb 0.64 -0.50 0.07 0.00 -2.36 0.00 0.00 39.78 37.63 1b3s n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1b3s h LEU 42 N 2.05 0.06 -1.91 -4.53 5.85 -1.90 -0.97 115.31 113.96 1b3s h LEU 42 Ca 0.00 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1b3s h LEU 42 Cb 1.37 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.50 1b3s h LEU 42 CO 0.21 0.06 -0.12 0.00 -0.34 0.00 0.00 178.44 178.25 1b3s h ALA 43 N 1.39 1.52 -0.19 1.25 0.00 -1.85 0.18 119.26 121.57 1b3s h ALA 43 Ca 0.26 -0.11 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 1b3s h ALA 43 Cb 0.34 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1b3s h ALA 43 CO -0.31 0.15 -0.73 -0.44 0.00 0.00 0.00 179.25 177.92 1b3s h ASP 44 N 0.00 0.96 0.39 0.00 3.32 -1.54 -2.39 116.42 117.16 1b3s h ASP 44 Ca -0.00 -0.61 0.00 0.00 0.02 0.00 0.00 57.03 56.44 1b3s h ASP 44 Cb 0.25 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1b3s h ASP 44 CO 0.02 1.41 -1.16 1.33 -1.72 0.00 0.00 179.24 179.11 1b3s n VAL 45 N -3.96 0.17 -3.15 -1.35 0.24 -0.97 -4.58 118.33 104.74 1b3s n VAL 45 Ca -0.07 -0.29 -0.20 0.00 -2.04 0.00 0.00 64.34 61.74 1b3s n VAL 45 Cb 0.72 0.18 -0.05 0.00 -1.47 0.00 0.00 33.84 33.22 1b3s n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b3s n ALA 46 N -1.90 1.41 -1.67 2.33 0.00 0.62 -4.93 120.51 116.38 1b3s n ALA 46 Ca 0.01 -2.63 -0.46 0.00 0.00 0.00 0.00 53.44 50.36 1b3s n ALA 46 Cb 0.46 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.90 1b3s n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1b3s n PRO 47 N 2.31 2.10 0.00 0.00 -0.02 -0.90 -1.95 135.00 136.54 1b3s n PRO 47 Ca 0.23 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1b3s n PRO 47 Cb 0.53 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1b3s n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b3s n GLY 48 N 3.44 3.01 3.76 -1.23 0.00 -1.26 -5.01 105.19 107.91 1b3s n GLY 48 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1b3s n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b3s s LYS 49 N -0.08 1.66 -0.07 1.61 -0.14 -0.82 -4.71 119.74 117.20 1b3s s LYS 49 Ca 0.00 0.70 -0.07 0.00 -1.36 0.00 0.00 55.97 55.24 1b3s s LYS 49 Cb 0.00 -1.86 0.02 0.00 -1.68 0.00 0.00 37.83 34.30 1b3s s LYS 49 CO 0.00 -1.93 0.20 -1.12 -0.76 0.00 0.00 175.35 171.73 1b3s s SER 50 N -3.70 -0.19 0.05 2.83 0.01 0.58 -4.84 113.70 108.45 1b3s s SER 50 Ca 0.62 0.34 -0.30 0.00 1.31 0.00 0.00 55.95 57.92 1b3s s SER 50 Cb -0.16 0.39 -0.09 0.00 0.21 0.00 0.00 66.02 66.37 1b3s s SER 50 CO 0.55 -0.10 1.85 -0.63 0.41 0.00 0.00 173.24 175.33 1b3s s ILE 51 N -0.05 2.99 -0.00 1.44 -1.09 -1.25 -0.01 121.20 123.22 1b3s s ILE 51 Ca -0.02 0.18 -0.28 0.00 -2.23 0.00 0.00 60.65 58.30 1b3s s ILE 51 Cb -0.02 -3.12 0.10 0.00 -1.58 0.00 0.00 42.46 37.84 1b3s s ILE 51 CO 0.00 -0.01 0.82 -0.83 -1.23 0.00 0.00 174.94 173.69 1b3s s GLY 52 N 3.64 -0.48 0.00 6.18 0.00 -0.62 -0.01 107.32 116.04 1b3s s GLY 52 Ca 0.83 1.13 0.00 0.00 0.00 0.00 0.00 44.72 46.68 1b3s s GLY 52 CO 0.38 0.51 0.00 0.61 0.00 0.00 0.00 173.10 174.59 1b3s n GLY 53 N 0.06 0.61 3.83 0.20 0.00 0.28 -3.00 105.19 107.17 1b3s n GLY 53 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1b3s n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b3s s ASP 54 N -2.93 6.05 0.46 1.61 1.01 -1.22 -4.77 116.67 116.88 1b3s s ASP 54 Ca 0.00 1.66 -0.24 0.00 0.71 0.00 0.00 52.55 54.68 1b3s s ASP 54 Cb 0.00 -2.51 -0.07 0.00 1.01 0.00 0.00 42.92 41.34 1b3s s ASP 54 CO 0.00 -0.98 1.32 -0.63 0.21 0.00 0.00 175.17 175.09 1b3s s ILE 55 N -2.68 2.45 -0.24 0.77 1.09 -1.26 -2.00 121.20 119.32 1b3s s ILE 55 Ca 0.60 0.37 0.00 0.00 -1.10 0.00 0.00 60.65 60.53 1b3s s ILE 55 Cb -0.13 -3.21 0.04 0.00 -1.06 0.00 0.00 42.46 38.10 1b3s s ILE 55 CO 0.40 0.03 -0.11 0.12 -0.10 0.00 0.00 174.94 175.28 1b3s s PHE 56 N -1.30 3.06 -1.78 3.97 5.36 0.17 -4.76 117.98 122.70 1b3s s PHE 56 Ca 0.62 -1.81 0.31 0.00 -0.96 0.00 0.00 56.93 55.09 1b3s s PHE 56 Cb -0.38 -1.99 1.63 0.00 -0.34 0.00 0.00 43.02 41.94 1b3s s PHE 56 CO 0.48 -0.80 2.09 0.43 -1.46 0.00 0.00 175.22 175.96 1b3s n SER 57 N 4.59 0.15 -3.91 6.13 7.64 -1.26 -4.13 113.62 122.82 1b3s n SER 57 Ca -0.17 -0.67 -0.28 0.00 1.01 0.00 0.00 58.87 58.76 1b3s n SER 57 Cb 0.46 -0.11 0.01 0.00 -1.01 0.00 0.00 64.21 63.57 1b3s n SER 57 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1b3s n ASN 58 N -1.03 -3.07 -0.19 6.43 5.15 -1.26 -4.83 115.26 116.47 1b3s n ASN 58 Ca 0.19 -0.85 0.30 0.00 -0.60 0.00 0.00 54.58 53.62 1b3s n ASN 58 Cb 0.19 -3.66 0.69 0.00 -0.53 0.00 0.00 39.78 36.48 1b3s n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1b3s h ARG 59 N -1.92 0.00 -0.50 1.20 3.08 -2.01 0.44 114.38 114.66 1b3s h ARG 59 Ca -0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.45 1b3s h ARG 59 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1b3s h ARG 59 CO 0.65 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.94 1b3s n GLU 60 N -3.84 3.15 -2.60 0.04 -0.58 -1.26 -4.96 120.64 110.59 1b3s n GLU 60 Ca 0.20 -2.55 -0.20 0.00 -0.42 0.00 0.00 57.16 54.19 1b3s n GLU 60 Cb 1.14 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 30.39 1b3s n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1b3s n GLY 61 N 0.74 -0.51 0.23 0.62 0.00 0.15 -4.89 105.19 101.54 1b3s n GLY 61 Ca 0.20 0.04 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 1b3s n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b3s h LYS 62 N -0.39 0.81 -6.80 1.61 1.57 -1.93 -3.44 116.57 107.99 1b3s h LYS 62 Ca -0.47 -0.60 -0.48 0.00 -1.87 0.00 0.00 60.65 57.22 1b3s h LYS 62 Cb 1.34 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.74 1b3s h LYS 62 CO 0.54 1.22 0.24 -0.51 -0.57 0.00 0.00 179.45 180.37 1b3s s LEU 63 N -8.49 4.22 0.27 2.94 1.43 -1.26 -4.99 118.68 112.79 1b3s s LEU 63 Ca -0.10 1.60 -0.30 0.00 -1.03 0.00 0.00 54.13 54.29 1b3s s LEU 63 Cb 0.09 -4.01 -0.11 0.00 0.03 0.00 0.00 46.19 42.20 1b3s s LEU 63 CO 0.90 -0.12 1.58 -2.16 0.23 0.00 0.00 176.35 176.78 1b3s s PRO 64 N -2.40 4.16 0.08 1.29 0.04 -1.26 -5.00 135.00 131.91 1b3s s PRO 64 Ca 0.51 2.51 0.04 0.00 0.04 0.00 0.00 61.00 64.10 1b3s s PRO 64 Cb -0.15 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 1b3s s PRO 64 CO 0.20 -0.60 0.02 0.20 0.04 0.00 0.00 177.00 176.85 1b3s s GLY 65 N 0.59 1.94 0.05 0.56 0.00 -1.26 -5.10 107.32 104.11 1b3s s GLY 65 Ca 0.64 -1.07 -0.09 0.00 0.00 0.00 0.00 44.72 44.20 1b3s s GLY 65 CO 0.44 -1.04 0.19 1.25 0.00 0.00 0.00 173.10 173.94 1b3s s LYS 66 N -2.25 0.72 -0.18 2.90 2.20 -1.26 -5.07 119.74 116.80 1b3s s LYS 66 Ca 0.26 -0.69 -0.29 0.00 -0.36 0.00 0.00 55.97 54.88 1b3s s LYS 66 Cb -0.12 0.30 -0.03 0.00 -1.51 0.00 0.00 37.83 36.46 1b3s s LYS 66 CO 0.18 -0.21 1.67 -1.54 -0.36 0.00 0.00 175.35 175.10 1b3s s SER 67 N -2.23 6.37 0.00 1.43 1.04 -1.26 -2.00 113.70 117.05 1b3s s SER 67 Ca -0.03 1.78 0.00 0.00 0.48 0.00 0.00 55.95 58.18 1b3s s SER 67 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1b3s s SER 67 CO -0.05 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 173.54 1b3s n GLY 68 N 4.64 3.04 3.66 7.32 0.00 -1.26 -5.05 105.19 117.54 1b3s n GLY 68 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1b3s n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1b3s s ARG 69 N -0.59 4.23 0.27 1.61 3.52 -0.85 -4.96 118.95 122.18 1b3s s ARG 69 Ca 0.00 1.85 0.09 0.00 -0.13 0.00 0.00 55.73 57.54 1b3s s ARG 69 Cb 0.00 -3.80 -0.04 0.00 -1.56 0.00 0.00 34.95 29.55 1b3s s ARG 69 CO 0.00 -0.72 0.00 0.95 -0.81 0.00 0.00 175.30 174.73 1b3s s THR 70 N 3.46 3.43 0.06 4.11 -4.23 -1.26 -4.69 115.64 116.52 1b3s s THR 70 Ca 0.61 -1.90 0.09 0.00 -1.18 0.00 0.00 61.69 59.31 1b3s s THR 70 Cb -0.26 -2.85 -0.03 0.00 1.34 0.00 0.00 72.50 70.69 1b3s s THR 70 CO 0.21 -0.37 -0.24 0.26 -0.54 0.00 0.00 174.62 173.94 1b3s s TRP 71 N -2.33 2.05 0.27 3.99 0.52 -1.26 -1.11 118.94 121.07 1b3s s TRP 71 Ca 0.32 -0.39 0.07 0.00 0.02 0.00 0.00 56.10 56.11 1b3s s TRP 71 Cb -0.06 -1.20 -0.06 0.00 -1.15 0.00 0.00 33.47 31.01 1b3s s TRP 71 CO 0.20 0.15 -0.08 1.03 0.02 0.00 0.00 176.95 178.27 1b3s s ARG 72 N -1.42 1.52 0.05 4.98 0.52 -0.09 0.44 118.95 124.95 1b3s s ARG 72 Ca 0.10 -1.75 -0.04 0.00 -0.52 0.00 0.00 55.73 53.52 1b3s s ARG 72 Cb -0.10 -1.17 -0.02 0.00 0.52 0.00 0.00 34.95 34.18 1b3s s ARG 72 CO 0.03 0.08 0.05 -1.83 0.02 0.00 0.00 175.30 173.64 1b3s s GLU 73 N -3.70 0.63 -0.04 3.54 -1.05 -0.85 -1.43 118.70 115.80 1b3s s GLU 73 Ca 0.28 -1.00 -0.22 0.00 -0.15 0.00 0.00 54.97 53.89 1b3s s GLU 73 Cb 0.03 0.24 0.04 0.00 -0.44 0.00 0.00 34.13 33.99 1b3s s GLU 73 CO 0.11 -0.15 0.47 0.00 0.95 0.00 0.00 175.26 176.65 1b3s s ALA 74 N -3.38 -1.22 0.54 -0.84 0.00 -0.43 -0.56 121.76 115.87 1b3s s ALA 74 Ca 0.02 0.81 -0.19 0.00 0.00 0.00 0.00 51.96 52.60 1b3s s ALA 74 Cb 0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 23.12 23.07 1b3s s ALA 74 CO -0.08 -0.30 1.07 -0.51 0.00 0.00 0.00 175.76 175.94 1b3s s ASP 75 N -1.15 5.94 0.07 0.00 1.11 0.99 -0.11 116.67 123.52 1b3s s ASP 75 Ca -0.12 1.98 0.08 0.00 0.18 0.00 0.00 52.55 54.68 1b3s s ASP 75 Cb -0.03 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.37 1b3s s ASP 75 CO 0.06 -1.06 -0.22 -0.63 1.18 0.00 0.00 175.17 174.49 1b3s s ILE 76 N -2.05 1.82 -1.54 0.77 -1.09 0.10 -4.73 121.20 114.48 1b3s s ILE 76 Ca 0.68 -1.37 0.00 0.00 -2.23 0.00 0.00 60.65 57.73 1b3s s ILE 76 Cb -0.19 -1.60 0.00 0.00 -1.58 0.00 0.00 42.46 39.09 1b3s s ILE 76 CO 0.27 0.16 0.00 0.59 -1.23 0.00 0.00 174.94 174.74 1b3s n ASN 77 N 1.57 -5.18 -4.68 3.58 3.02 0.32 -4.53 115.26 109.36 1b3s n ASN 77 Ca -0.18 0.07 -0.37 0.00 -0.03 0.00 0.00 54.58 54.08 1b3s n ASN 77 Cb 0.53 -4.35 -0.08 0.00 -0.61 0.00 0.00 39.78 35.27 1b3s n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b3s s TYR 78 N -2.88 3.37 -0.07 3.10 5.04 -1.26 -4.93 117.35 119.72 1b3s s TYR 78 Ca 0.00 0.45 -0.03 0.00 -2.44 0.00 0.00 57.07 55.05 1b3s s TYR 78 Cb 0.00 -2.38 -0.03 0.00 0.35 0.00 0.00 41.96 39.90 1b3s s TYR 78 CO 0.00 0.07 -0.09 0.25 -1.34 0.00 0.00 175.55 174.45 1b3s n THR 79 N 4.16 0.38 -3.48 4.34 -2.24 -1.26 -4.91 114.28 111.27 1b3s n THR 79 Ca -0.12 -0.09 -0.14 0.00 -2.27 0.00 0.00 64.05 61.43 1b3s n THR 79 Cb 0.52 -1.59 -0.04 0.00 -2.10 0.00 0.00 70.33 67.11 1b3s n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1b3s s SER 80 N -5.62 -0.56 0.16 3.42 1.04 -1.26 -4.80 113.70 106.08 1b3s s SER 80 Ca -0.10 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1b3s s SER 80 Cb 0.04 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1b3s s SER 80 CO 0.12 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1b3s n GLY 81 N 0.19 0.57 3.71 7.32 0.00 -1.25 -4.85 105.19 110.88 1b3s n GLY 81 Ca -0.16 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 1b3s n GLY 81 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1b3s s PHE 82 N 0.00 3.61 0.68 1.61 -0.12 -1.26 -4.57 117.98 117.93 1b3s s PHE 82 Ca 0.00 1.52 -0.17 0.00 -0.05 0.00 0.00 56.93 58.24 1b3s s PHE 82 Cb 0.00 -3.01 -0.06 0.00 -0.63 0.00 0.00 43.02 39.32 1b3s s PHE 82 CO 0.00 0.00 0.47 0.54 -0.05 0.00 0.00 175.22 176.18 1b3s n ARG 83 N 3.97 0.34 -0.84 1.99 1.74 -1.26 -5.03 116.66 117.57 1b3s n ARG 83 Ca 0.04 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 1b3s n ARG 83 Cb 0.51 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 1b3s n ARG 83 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1b3s n ASN 84 N 0.11 0.21 -1.72 0.55 0.23 -1.26 -5.04 115.26 108.34 1b3s n ASN 84 Ca 0.10 -0.76 0.08 0.00 -0.53 0.00 0.00 54.58 53.47 1b3s n ASN 84 Cb 0.49 0.00 0.38 0.00 -2.08 0.00 0.00 39.78 38.57 1b3s n ASN 84 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1b3s n SER 85 N -2.13 5.14 -4.54 0.53 7.64 -1.26 -4.94 113.62 114.06 1b3s n SER 85 Ca 0.00 -2.63 -0.37 0.00 1.01 0.00 0.00 58.87 56.89 1b3s n SER 85 Cb 0.00 -0.62 -0.11 0.00 -1.01 0.00 0.00 64.21 62.46 1b3s n SER 85 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1b3s s ASP 86 N -0.84 5.55 0.05 6.43 1.01 -1.26 -2.46 116.67 125.14 1b3s s ASP 86 Ca 0.52 -0.08 0.03 0.00 0.71 0.00 0.00 52.55 53.74 1b3s s ASP 86 Cb 0.36 -2.00 -0.02 0.00 1.01 0.00 0.00 42.92 42.27 1b3s s ASP 86 CO 0.21 0.00 -0.10 -0.13 0.21 0.00 0.00 175.17 175.37 1b3s s ARG 87 N 1.41 0.64 -0.08 8.23 1.81 -0.85 -0.73 118.95 129.39 1b3s s ARG 87 Ca 0.06 -0.79 0.02 0.00 -1.72 0.00 0.00 55.73 53.30 1b3s s ARG 87 Cb -0.15 -0.52 -0.02 0.00 -0.45 0.00 0.00 34.95 33.81 1b3s s ARG 87 CO 0.05 0.11 -0.13 -1.50 -0.68 0.00 0.00 175.30 173.16 1b3s s ILE 88 N -1.25 3.18 -0.24 1.52 2.07 0.85 -2.09 121.20 125.24 1b3s s ILE 88 Ca -0.06 -0.66 -0.01 0.00 -1.41 0.00 0.00 60.65 58.51 1b3s s ILE 88 Cb -0.09 -2.28 0.03 0.00 0.13 0.00 0.00 42.46 40.25 1b3s s ILE 88 CO 0.01 0.57 -0.08 -0.76 -1.91 0.00 0.00 174.94 172.77 1b3s s LEU 89 N -0.43 3.10 -0.10 8.50 2.01 0.13 -1.32 118.68 130.58 1b3s s LEU 89 Ca 0.05 -0.92 0.04 0.00 0.01 0.00 0.00 54.13 53.31 1b3s s LEU 89 Cb -0.12 -1.63 0.00 0.00 0.01 0.00 0.00 46.19 44.45 1b3s s LEU 89 CO 0.02 -0.12 -0.24 -0.72 1.01 0.00 0.00 176.35 176.30 1b3s s TYR 90 N 1.29 2.51 0.31 0.29 1.13 -0.51 0.23 117.35 122.60 1b3s s TYR 90 Ca -0.01 -1.03 0.03 0.00 -1.41 0.00 0.00 57.07 54.66 1b3s s TYR 90 Cb -0.17 -1.68 -0.03 0.00 -1.10 0.00 0.00 41.96 38.98 1b3s s TYR 90 CO -0.06 -0.41 0.47 -1.54 -2.51 0.00 0.00 175.55 171.51 1b3s s SER 91 N 0.35 6.22 0.41 -0.18 1.04 0.40 -0.91 113.70 121.03 1b3s s SER 91 Ca -0.19 0.20 0.10 0.00 0.48 0.00 0.00 55.95 56.54 1b3s s SER 91 Cb -0.18 -1.81 0.91 0.00 0.10 0.00 0.00 66.02 65.04 1b3s s SER 91 CO 0.09 -0.26 2.00 0.77 0.98 0.00 0.00 173.24 176.82 1b3s h SER 92 N 0.91 0.47 -0.84 7.02 4.64 -1.46 0.25 113.55 124.55 1b3s h SER 92 Ca -0.50 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.42 1b3s h SER 92 Cb 1.23 -0.10 -0.24 0.00 -0.31 0.00 0.00 62.40 62.98 1b3s h SER 92 CO 0.60 0.30 0.51 -0.90 -0.87 0.00 0.00 176.83 176.48 1b3s n ASP 93 N -4.47 3.82 -3.72 4.97 5.75 -1.26 -4.95 116.55 116.69 1b3s n ASP 93 Ca 0.08 -3.35 -0.25 0.00 -0.01 0.00 0.00 54.79 51.26 1b3s n ASP 93 Cb 0.24 -0.78 0.03 0.00 -1.03 0.00 0.00 41.12 39.57 1b3s n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1b3s n TRP 94 N -0.78 -1.89 -3.57 2.11 7.02 0.89 -5.02 117.44 116.20 1b3s n TRP 94 Ca 0.49 0.69 -0.38 0.00 -1.02 0.00 0.00 57.50 57.29 1b3s n TRP 94 Cb 1.48 -3.91 -0.06 0.00 -2.42 0.00 0.00 31.31 26.41 1b3s n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1b3s s LEU 95 N -6.58 4.46 -0.10 -0.99 1.43 -1.25 -4.83 118.68 110.82 1b3s s LEU 95 Ca 0.19 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.17 1b3s s LEU 95 Cb -0.06 -2.50 0.02 0.00 0.03 0.00 0.00 46.19 43.68 1b3s s LEU 95 CO 0.84 0.34 -0.09 -0.63 0.23 0.00 0.00 176.35 177.04 1b3s s ILE 96 N -1.08 1.04 0.41 -0.59 1.01 -1.26 -0.45 121.20 120.28 1b3s s ILE 96 Ca 0.22 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.58 1b3s s ILE 96 Cb -0.16 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 1b3s s ILE 96 CO 0.12 0.36 0.07 -0.31 0.00 0.00 0.00 174.94 175.18 1b3s s TYR 97 N 1.41 1.92 0.05 3.97 1.51 0.13 -0.15 117.35 126.20 1b3s s TYR 97 Ca -0.01 -1.06 -0.09 0.00 -1.01 0.00 0.00 57.07 54.90 1b3s s TYR 97 Cb -0.13 -1.35 0.00 0.00 -0.11 0.00 0.00 41.96 40.37 1b3s s TYR 97 CO -0.05 -0.03 0.18 -1.59 -1.11 0.00 0.00 175.55 172.95 1b3s s LYS 98 N -3.80 0.71 0.02 -0.62 -2.85 -0.34 -0.69 119.74 112.17 1b3s s LYS 98 Ca 0.25 -0.71 0.02 0.00 -1.00 0.00 0.00 55.97 54.53 1b3s s LYS 98 Cb 0.05 0.29 -0.01 0.00 -2.06 0.00 0.00 37.83 36.09 1b3s s LYS 98 CO 0.13 -0.20 -0.06 -0.08 0.10 0.00 0.00 175.35 175.23 1b3s s THR 99 N -2.81 0.43 -0.00 3.79 -1.32 -0.89 -1.78 115.64 113.06 1b3s s THR 99 Ca -0.03 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 59.77 1b3s s THR 99 Cb 0.00 -0.45 0.00 0.00 -1.51 0.00 0.00 72.50 70.54 1b3s s THR 99 CO -0.05 -0.18 0.70 0.35 -2.21 0.00 0.00 174.62 173.23 1b3s n THR 100 N 2.13 0.40 -2.09 5.08 -2.24 -1.25 -2.01 114.28 114.30 1b3s n THR 100 Ca -0.18 -0.40 -0.05 0.00 -2.27 0.00 0.00 64.05 61.14 1b3s n THR 100 Cb 0.56 0.80 0.09 0.00 -2.10 0.00 0.00 70.33 69.68 1b3s n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1b3s n ASP 101 N -0.20 2.62 -3.48 3.42 5.68 -1.22 -4.73 116.55 118.64 1b3s n ASP 101 Ca 0.00 -3.23 -0.21 0.00 -0.50 0.00 0.00 54.79 50.86 1b3s n ASP 101 Cb 0.40 -0.42 0.06 0.00 -1.14 0.00 0.00 41.12 40.02 1b3s n ASP 101 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b3s n ALA 102 N -0.63 -2.33 -1.18 2.12 0.00 -1.03 -3.13 120.51 114.34 1b3s n ALA 102 Ca 0.23 -0.05 -0.06 0.00 0.00 0.00 0.00 53.44 53.56 1b3s n ALA 102 Cb 0.88 -4.06 -0.03 0.00 0.00 0.00 0.00 19.45 16.24 1b3s n ALA 102 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1b3s n TYR 103 N -3.82 0.00 0.03 0.00 4.01 -1.26 -4.90 117.16 111.22 1b3s n TYR 103 Ca -0.16 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.38 1b3s n TYR 103 Cb 0.63 -1.89 -0.10 0.00 -0.31 0.00 0.00 39.34 37.67 1b3s n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1b3s h GLN 104 N 0.18 0.72 -4.38 -0.72 4.20 -1.96 -3.46 115.11 109.69 1b3s h GLN 104 Ca -0.12 -0.75 -0.27 0.00 0.06 0.00 0.00 58.65 57.57 1b3s h GLN 104 Cb 0.80 0.21 -0.23 0.00 0.30 0.00 0.00 27.48 28.56 1b3s h GLN 104 CO 0.18 1.32 -0.73 0.95 -0.67 0.00 0.00 178.83 179.88 1b3s s THR 105 N -3.38 0.42 -0.01 -0.54 -4.23 -1.26 -5.11 115.64 101.52 1b3s s THR 105 Ca -0.10 -0.83 0.06 0.00 -1.18 0.00 0.00 61.69 59.64 1b3s s THR 105 Cb 0.07 -0.47 -0.01 0.00 1.34 0.00 0.00 72.50 73.42 1b3s s THR 105 CO 0.92 -0.28 -0.19 -0.36 -0.54 0.00 0.00 174.62 174.16 1b3s s PHE 106 N -1.08 1.73 0.01 3.99 0.40 -1.26 -4.37 117.98 117.40 1b3s s PHE 106 Ca -0.08 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 55.96 1b3s s PHE 106 Cb -0.08 -1.11 -0.01 0.00 0.51 0.00 0.00 43.02 42.32 1b3s s PHE 106 CO 0.00 -0.03 -0.11 0.95 0.70 0.00 0.00 175.22 176.73 1b3s s THR 107 N -0.45 0.84 -0.00 0.64 -4.23 -0.73 -4.93 115.64 106.77 1b3s s THR 107 Ca 0.07 -0.65 -0.30 0.00 -1.18 0.00 0.00 61.69 59.63 1b3s s THR 107 Cb -0.07 -0.74 -0.05 0.00 1.34 0.00 0.00 72.50 72.97 1b3s s THR 107 CO -0.01 0.09 1.35 -0.75 -0.54 0.00 0.00 174.62 174.76 1b3s s LYS 108 N -0.63 4.31 -0.09 3.99 2.20 -1.26 -1.20 119.74 127.06 1b3s s LYS 108 Ca 0.02 1.90 0.11 0.00 -0.36 0.00 0.00 55.97 57.64 1b3s s LYS 108 Cb -0.06 -3.54 -0.16 0.00 -1.51 0.00 0.00 37.83 32.57 1b3s s LYS 108 CO 0.00 -0.52 0.09 0.44 -0.36 0.00 0.00 175.35 175.00 1b3s n ILE 109 N 4.58 0.63 -0.86 5.43 -5.35 0.79 -4.96 119.36 119.61 1b3s n ILE 109 Ca 0.12 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 1b3s n ILE 109 Cb 0.44 -0.49 0.00 0.00 -1.74 0.00 0.00 39.64 37.85 1b3s n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33