#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2u s GLN 2 N 0.00 3.59 0.06 0.00 0.74 -1.26 -4.93 119.66 117.86 1b2u s GLN 2 Ca 0.00 2.06 -0.35 0.00 0.05 0.00 0.00 55.36 57.12 1b2u s GLN 2 Cb 0.00 -2.45 -0.14 0.00 1.10 0.00 0.00 33.01 31.52 1b2u s GLN 2 CO 0.00 -0.77 1.65 0.28 -0.55 0.00 0.00 175.29 175.90 1b2u n VAL 3 N -0.51 0.19 -3.82 1.34 0.31 -1.26 -4.95 118.33 109.63 1b2u n VAL 3 Ca 0.07 -0.03 -0.36 0.00 -0.01 0.00 0.00 64.34 64.01 1b2u n VAL 3 Cb 0.46 -1.55 -0.13 0.00 -0.91 0.00 0.00 33.84 31.71 1b2u n VAL 3 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1b2u s ILE 4 N 1.93 3.49 0.00 2.52 1.01 -1.26 -4.96 121.20 123.93 1b2u s ILE 4 Ca 0.84 -1.08 0.11 0.00 0.00 0.00 0.00 60.65 60.52 1b2u s ILE 4 Cb -0.73 -2.91 0.18 0.00 0.01 0.00 0.00 42.46 39.00 1b2u s ILE 4 CO 0.44 -0.05 1.02 -0.46 0.00 0.00 0.00 174.94 175.89 1b2u n ASN 5 N 4.76 0.28 -4.87 3.58 6.94 -1.26 -4.78 115.26 119.91 1b2u n ASN 5 Ca -0.14 -1.89 -0.22 0.00 -0.02 0.00 0.00 54.58 52.32 1b2u n ASN 5 Cb 0.45 -0.16 -0.04 0.00 -2.36 0.00 0.00 39.78 37.68 1b2u n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1b2u s THR 6 N 0.00 4.65 0.11 5.53 -4.23 -1.26 -0.20 115.64 120.24 1b2u s THR 6 Ca 0.14 -1.28 -0.28 0.00 -1.18 0.00 0.00 61.69 59.09 1b2u s THR 6 Cb 0.16 -3.53 -0.10 0.00 1.34 0.00 0.00 72.50 70.37 1b2u s THR 6 CO -0.07 -0.34 1.63 -0.26 -0.54 0.00 0.00 174.62 175.04 1b2u h PHE 7 N 1.38 -0.81 -0.14 3.99 0.04 -1.98 0.38 116.94 119.80 1b2u h PHE 7 Ca -0.49 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.28 1b2u h PHE 7 Cb 1.24 0.33 -0.01 0.00 2.20 0.00 0.00 35.95 39.72 1b2u h PHE 7 CO 0.52 -0.41 0.05 -0.44 -0.60 0.00 0.00 178.31 177.43 1b2u h ASP 8 N -0.55 0.20 -0.65 2.17 3.32 -1.99 -0.68 116.42 118.23 1b2u h ASP 8 Ca 0.02 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 56.81 1b2u h ASP 8 Cb 0.56 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1b2u h ASP 8 CO -0.14 0.33 0.12 1.23 -1.72 0.00 0.00 179.24 179.06 1b2u h GLY 9 N 0.06 1.15 1.30 2.75 0.00 -1.88 -1.18 103.07 105.28 1b2u h GLY 9 Ca 0.05 -0.75 -0.11 0.00 0.00 0.00 0.00 47.33 46.51 1b2u h GLY 9 CO -0.00 0.70 -0.18 -2.08 0.00 0.00 0.00 176.54 174.98 1b2u h VAL 10 N 0.99 1.27 0.22 4.60 2.07 -0.95 0.27 116.25 124.73 1b2u h VAL 10 Ca 0.20 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1b2u h VAL 10 Cb 0.42 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1b2u h VAL 10 CO 0.01 0.44 -0.11 0.00 0.02 0.00 0.00 177.57 177.93 1b2u h ALA 11 N 1.07 -0.30 -0.96 1.67 0.00 -1.03 -0.01 119.26 119.71 1b2u h ALA 11 Ca 0.11 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1b2u h ALA 11 Cb 0.69 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1b2u h ALA 11 CO 0.05 -0.64 0.62 -0.44 0.00 0.00 0.00 179.25 178.84 1b2u h ASP 12 N -0.35 1.11 0.14 0.00 3.32 -1.16 -0.95 116.42 118.54 1b2u h ASP 12 Ca -0.03 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1b2u h ASP 12 Cb 0.27 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1b2u h ASP 12 CO 0.05 0.81 -0.07 0.22 -1.72 0.00 0.00 179.24 178.54 1b2u h TYR 13 N 1.30 -0.18 -0.47 4.55 5.03 -0.29 -0.38 116.97 126.54 1b2u h TYR 13 Ca 0.35 -0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.75 1b2u h TYR 13 Cb -0.13 0.06 -0.09 0.00 1.55 0.00 0.00 36.73 38.11 1b2u h TYR 13 CO -0.00 -0.01 -0.13 -0.07 -1.32 0.00 0.00 178.16 176.62 1b2u h LEU 14 N -0.30 -0.47 -1.16 2.82 3.38 -0.96 0.22 115.31 118.83 1b2u h LEU 14 Ca -0.02 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1b2u h LEU 14 Cb 0.24 0.30 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1b2u h LEU 14 CO 0.03 -0.17 0.29 -0.61 0.09 0.00 0.00 178.44 178.07 1b2u h GLN 15 N -0.02 0.87 0.04 1.13 4.15 -1.05 0.32 115.11 120.55 1b2u h GLN 15 Ca 0.22 -0.12 -0.14 0.00 0.77 0.00 0.00 58.65 59.39 1b2u h GLN 15 Cb 0.36 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1b2u h GLN 15 CO -0.49 0.68 -0.75 1.15 -1.93 0.00 0.00 178.83 177.50 1b2u h THR 16 N 0.87 1.35 0.00 2.39 2.02 -0.42 -3.39 112.91 115.73 1b2u h THR 16 Ca 0.21 -2.33 0.00 0.00 0.77 0.00 0.00 66.41 65.07 1b2u h THR 16 Cb 0.10 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 1b2u h THR 16 CO -0.03 0.55 -1.11 -1.22 0.37 0.00 0.00 175.52 174.08 1b2u n TYR 17 N -4.37 0.00 -3.51 3.16 4.01 0.70 -5.02 117.16 112.13 1b2u n TYR 17 Ca -0.20 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.32 1b2u n TYR 17 Cb 0.66 -0.09 0.08 0.00 -0.31 0.00 0.00 39.34 39.67 1b2u n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1b2u n HIS 18 N -1.60 -2.63 -3.51 -0.72 8.25 0.11 -4.97 115.22 110.15 1b2u n HIS 18 Ca 0.02 0.96 -0.09 0.00 -0.26 0.00 0.00 57.72 58.36 1b2u n HIS 18 Cb 0.34 -4.91 -0.02 0.00 1.12 0.00 0.00 29.99 26.52 1b2u n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1b2u s LYS 19 N -6.04 0.80 0.61 -0.41 -2.85 -1.25 -5.05 119.74 105.55 1b2u s LYS 19 Ca 0.43 -0.27 -0.12 0.00 -1.00 0.00 0.00 55.97 55.01 1b2u s LYS 19 Cb -0.19 0.37 -0.04 0.00 -2.06 0.00 0.00 37.83 35.91 1b2u s LYS 19 CO 0.70 -0.35 1.03 -0.51 0.10 0.00 0.00 175.35 176.32 1b2u s LEU 20 N -2.40 3.30 0.85 2.77 1.43 -1.26 -3.64 118.68 119.73 1b2u s LEU 20 Ca 0.05 1.50 -0.13 0.00 -1.03 0.00 0.00 54.13 54.52 1b2u s LEU 20 Cb -0.01 -4.48 0.08 0.00 0.03 0.00 0.00 46.19 41.81 1b2u s LEU 20 CO -0.08 -0.94 1.00 -2.65 0.23 0.00 0.00 176.35 173.91 1b2u n PRO 21 N -2.57 -0.04 0.00 1.29 -0.02 -1.26 -4.90 135.00 127.50 1b2u n PRO 21 Ca 0.07 0.06 0.10 0.00 -2.02 0.00 0.00 63.50 61.70 1b2u n PRO 21 Cb 0.54 -2.27 0.55 0.00 -0.02 0.00 0.00 33.50 32.29 1b2u n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1b2u n ASP 22 N -2.93 0.00 -0.29 2.55 8.00 -1.26 -2.54 116.55 120.08 1b2u n ASP 22 Ca 0.12 -0.37 0.02 0.00 0.71 0.00 0.00 54.79 55.27 1b2u n ASP 22 Cb 0.51 -0.12 0.06 0.00 -0.02 0.00 0.00 41.12 41.55 1b2u n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1b2u n ASN 23 N -1.12 0.80 -4.67 -2.24 6.94 -1.26 -4.81 115.26 108.91 1b2u n ASN 23 Ca 0.13 -2.02 -0.35 0.00 -0.02 0.00 0.00 54.58 52.32 1b2u n ASN 23 Cb 0.10 -0.14 -0.09 0.00 -2.36 0.00 0.00 39.78 37.29 1b2u n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1b2u s TYR 24 N -1.77 3.24 0.01 -2.53 2.02 -1.05 -0.34 117.35 116.92 1b2u s TYR 24 Ca 0.09 0.13 0.05 0.00 -0.37 0.00 0.00 57.07 56.96 1b2u s TYR 24 Cb 0.05 -1.94 -0.02 0.00 -0.40 0.00 0.00 41.96 39.65 1b2u s TYR 24 CO 0.05 0.31 -0.17 0.96 -1.57 0.00 0.00 175.55 175.14 1b2u s ILE 25 N -0.25 1.32 0.99 2.71 -4.36 -0.65 -4.87 121.20 116.09 1b2u s ILE 25 Ca 0.07 -0.85 -0.12 0.00 -0.26 0.00 0.00 60.65 59.49 1b2u s ILE 25 Cb -0.12 -1.13 0.19 0.00 1.25 0.00 0.00 42.46 42.65 1b2u s ILE 25 CO 0.02 0.26 1.09 0.42 0.24 0.00 0.00 174.94 176.97 1b2u s THR 26 N -0.55 2.19 0.31 8.37 -4.23 -1.19 -2.03 115.64 118.50 1b2u s THR 26 Ca 0.06 0.06 0.04 0.00 -1.18 0.00 0.00 61.69 60.67 1b2u s THR 26 Cb -0.07 -2.51 0.10 0.00 1.34 0.00 0.00 72.50 71.36 1b2u s THR 26 CO 0.00 -0.08 1.78 0.00 -0.54 0.00 0.00 174.62 175.78 1b2u h ALA 27 N -1.89 1.22 -0.41 3.99 0.00 -1.97 -1.25 119.26 118.94 1b2u h ALA 27 Ca -0.54 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 53.95 1b2u h ALA 27 Cb 1.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1b2u h ALA 27 CO 0.56 0.51 -0.22 1.03 0.00 0.00 0.00 179.25 181.13 1b2u h SER 28 N 0.42 0.90 -0.26 0.00 0.87 -1.99 -0.07 113.55 113.42 1b2u h SER 28 Ca 0.07 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1b2u h SER 28 Cb 0.55 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1b2u h SER 28 CO 0.04 1.11 0.17 -0.33 -0.53 0.00 0.00 176.83 177.29 1b2u h GLU 29 N 0.68 0.34 -0.26 2.24 5.08 -1.88 -0.53 114.58 120.26 1b2u h GLU 29 Ca 0.09 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1b2u h GLU 29 Cb 0.79 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.89 1b2u h GLU 29 CO 0.06 0.23 -0.19 0.00 -1.00 0.00 0.00 179.01 178.11 1b2u h ALA 30 N 1.09 -0.03 -0.96 3.43 0.00 -1.04 -0.35 119.26 121.41 1b2u h ALA 30 Ca 0.09 0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.22 1b2u h ALA 30 Cb -0.04 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 1b2u h ALA 30 CO -0.02 -0.61 0.61 1.96 0.00 0.00 0.00 179.25 181.19 1b2u h GLN 31 N -0.19 0.85 0.00 0.00 4.20 -0.33 -0.06 115.11 119.58 1b2u h GLN 31 Ca 0.14 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 1b2u h GLN 31 Cb 0.40 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1b2u h GLN 31 CO -0.37 0.56 -0.16 0.00 -0.67 0.00 0.00 178.83 178.20 1b2u h ALA 32 N 1.57 1.71 -0.01 3.87 0.00 0.52 0.17 119.26 127.08 1b2u h ALA 32 Ca 0.48 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1b2u h ALA 32 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1b2u h ALA 32 CO -0.25 0.20 -0.01 1.28 0.00 0.00 0.00 179.25 180.47 1b2u n LEU 33 N -4.30 0.69 0.00 0.00 4.77 -0.15 -4.90 117.00 113.11 1b2u n LEU 33 Ca -0.02 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1b2u n LEU 33 Cb 0.22 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1b2u n LEU 33 CO 0.36 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1b2u n GLY 34 N 1.10 0.96 3.74 -0.72 0.00 0.58 -4.88 105.19 105.97 1b2u n GLY 34 Ca 0.21 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1b2u n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1b2u s TRP 35 N -2.00 3.23 -0.29 1.61 -0.00 -0.51 -4.97 118.94 116.01 1b2u s TRP 35 Ca 0.00 1.21 0.00 0.00 -0.00 0.00 0.00 56.10 57.31 1b2u s TRP 35 Cb 0.00 -3.62 0.09 0.00 -0.00 0.00 0.00 33.47 29.94 1b2u s TRP 35 CO 0.00 -1.95 0.05 0.08 -0.00 0.00 0.00 176.95 175.13 1b2u s VAL 36 N 0.08 1.31 0.24 5.86 1.01 -1.26 -4.44 120.40 123.20 1b2u s VAL 36 Ca 0.57 -1.51 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 1b2u s VAL 36 Cb -0.37 -1.88 0.26 0.00 0.00 0.00 0.00 36.38 34.39 1b2u s VAL 36 CO 0.39 -0.50 1.65 0.00 0.00 0.00 0.00 175.10 176.64 1b2u h ALA 37 N 7.96 0.79 0.00 5.51 0.00 -2.00 0.38 119.26 131.91 1b2u h ALA 37 Ca -0.13 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1b2u h ALA 37 Cb 1.04 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1b2u h ALA 37 CO 0.46 -0.41 0.00 -1.13 0.00 0.00 0.00 179.25 178.17 1b2u n SER 38 N -5.30 0.17 0.12 0.00 3.41 -1.26 -1.70 113.62 109.06 1b2u n SER 38 Ca 0.13 0.54 0.10 0.00 -0.26 0.00 0.00 58.87 59.38 1b2u n SER 38 Cb 0.46 -0.58 0.02 0.00 -0.26 0.00 0.00 64.21 63.85 1b2u n SER 38 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1b2u h LYS 39 N 0.00 0.00 -5.43 4.33 1.57 -0.68 -3.48 116.57 112.88 1b2u h LYS 39 Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 1b2u h LYS 39 Cb 0.29 0.00 0.13 0.00 0.08 0.00 0.00 32.23 32.73 1b2u h LYS 39 CO 0.00 0.05 -0.64 0.41 -0.57 0.00 0.00 179.45 178.71 1b2u n GLY 40 N 1.19 -0.40 1.87 3.86 0.00 -0.69 -4.91 105.19 106.11 1b2u n GLY 40 Ca -0.00 0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.19 1b2u n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b2u n ASN 41 N -2.69 5.24 0.01 1.61 6.94 -1.26 -4.14 115.26 120.97 1b2u n ASN 41 Ca -0.03 -3.07 -0.11 0.00 -0.02 0.00 0.00 54.58 51.35 1b2u n ASN 41 Cb 0.57 -0.70 -0.05 0.00 -2.36 0.00 0.00 39.78 37.24 1b2u n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1b2u h LEU 42 N 3.29 -0.03 -2.01 -4.53 5.85 -1.90 -2.59 115.31 113.39 1b2u h LEU 42 Ca 0.11 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1b2u h LEU 42 Cb 2.10 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 43.16 1b2u h LEU 42 CO 0.58 -0.00 -0.05 0.00 -0.34 0.00 0.00 178.44 178.63 1b2u h ALA 43 N 1.07 1.09 -0.02 1.25 0.00 -1.85 0.55 119.26 121.34 1b2u h ALA 43 Ca 0.04 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1b2u h ALA 43 Cb 0.04 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1b2u h ALA 43 CO -0.07 0.06 -0.60 -0.44 0.00 0.00 0.00 179.25 178.21 1b2u h ASP 44 N 0.00 0.56 1.16 0.00 3.32 -1.83 -3.07 116.42 116.56 1b2u h ASP 44 Ca -0.00 -0.73 0.00 0.00 0.02 0.00 0.00 57.03 56.32 1b2u h ASP 44 Cb 0.33 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1b2u h ASP 44 CO 0.01 1.22 -0.80 -0.37 -1.72 0.00 0.00 179.24 177.57 1b2u h VAL 45 N -0.04 0.00 -1.47 -1.35 -1.51 -1.30 -3.41 116.25 107.17 1b2u h VAL 45 Ca -0.07 -0.97 -0.40 0.00 -1.23 0.00 0.00 66.70 64.03 1b2u h VAL 45 Cb 1.29 1.56 -0.28 0.00 -2.13 0.00 0.00 31.29 31.73 1b2u h VAL 45 CO 0.12 0.00 -0.79 0.00 -1.23 0.00 0.00 177.57 175.66 1b2u n ALA 46 N -2.14 0.74 -1.66 5.19 0.00 0.17 -4.96 120.51 117.86 1b2u n ALA 46 Ca 0.01 -2.33 -0.46 0.00 0.00 0.00 0.00 53.44 50.67 1b2u n ALA 46 Cb 0.54 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 1b2u n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1b2u n PRO 47 N 2.28 1.91 -1.01 0.00 -0.02 -1.16 -1.60 135.00 135.41 1b2u n PRO 47 Ca 0.21 0.68 -0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1b2u n PRO 47 Cb 0.54 -2.34 -0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1b2u n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b2u n GLY 48 N 2.36 0.31 3.94 -1.23 0.00 -1.26 -5.00 105.19 104.31 1b2u n GLY 48 Ca 0.13 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1b2u n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b2u s LYS 49 N -0.92 3.44 0.15 1.61 -0.14 -0.63 -4.77 119.74 118.48 1b2u s LYS 49 Ca 0.00 -0.56 0.08 0.00 -1.36 0.00 0.00 55.97 54.13 1b2u s LYS 49 Cb 0.00 -2.98 -0.04 0.00 -1.68 0.00 0.00 37.83 33.13 1b2u s LYS 49 CO 0.00 0.54 -0.17 -1.12 -0.76 0.00 0.00 175.35 173.83 1b2u s SER 50 N -3.08 2.47 0.07 2.83 0.01 0.54 -4.81 113.70 111.74 1b2u s SER 50 Ca 0.35 -0.83 -0.31 0.00 1.31 0.00 0.00 55.95 56.47 1b2u s SER 50 Cb -0.11 -0.13 -0.06 0.00 0.21 0.00 0.00 66.02 65.92 1b2u s SER 50 CO 0.28 -0.06 1.28 -0.63 0.41 0.00 0.00 173.24 174.53 1b2u s ILE 51 N -1.97 3.75 0.07 1.44 -1.09 -1.26 -1.64 121.20 120.49 1b2u s ILE 51 Ca 0.13 1.24 -0.27 0.00 -2.23 0.00 0.00 60.65 59.52 1b2u s ILE 51 Cb -0.06 -3.80 0.08 0.00 -1.58 0.00 0.00 42.46 37.11 1b2u s ILE 51 CO 0.05 0.09 0.88 -0.83 -1.23 0.00 0.00 174.94 173.90 1b2u s GLY 52 N 1.14 -0.39 0.00 6.18 0.00 -0.86 -0.55 107.32 112.83 1b2u s GLY 52 Ca 0.61 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.95 1b2u s GLY 52 CO 0.29 0.19 0.00 0.61 0.00 0.00 0.00 173.10 174.19 1b2u n GLY 53 N -0.34 1.62 3.77 0.20 0.00 0.52 -3.18 105.19 107.77 1b2u n GLY 53 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1b2u n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b2u s ASP 54 N -2.11 4.86 0.30 1.61 1.01 -1.24 -4.76 116.67 116.33 1b2u s ASP 54 Ca 0.00 1.97 -0.29 0.00 0.71 0.00 0.00 52.55 54.94 1b2u s ASP 54 Cb 0.00 -2.55 -0.10 0.00 1.01 0.00 0.00 42.92 41.28 1b2u s ASP 54 CO 0.00 -1.80 1.43 -0.63 0.21 0.00 0.00 175.17 174.37 1b2u s ILE 55 N -2.48 2.50 -0.30 0.77 -1.09 -1.26 -1.87 121.20 117.47 1b2u s ILE 55 Ca 0.66 0.46 -0.02 0.00 -2.23 0.00 0.00 60.65 59.52 1b2u s ILE 55 Cb -0.20 -3.29 0.05 0.00 -1.58 0.00 0.00 42.46 37.44 1b2u s ILE 55 CO 0.46 0.09 0.01 0.12 -1.23 0.00 0.00 174.94 174.39 1b2u s PHE 56 N -0.55 3.28 0.18 3.97 5.36 0.48 -4.74 117.98 125.97 1b2u s PHE 56 Ca 0.55 -1.92 0.35 0.00 -0.96 0.00 0.00 56.93 54.95 1b2u s PHE 56 Cb -0.43 -2.16 1.50 0.00 -0.34 0.00 0.00 43.02 41.59 1b2u s PHE 56 CO 0.50 -0.81 2.04 0.77 -1.46 0.00 0.00 175.22 176.25 1b2u h SER 57 N 7.99 0.00 -4.86 6.13 0.02 -1.95 -3.36 113.55 117.52 1b2u h SER 57 Ca -0.20 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.34 1b2u h SER 57 Cb 1.06 0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.68 1b2u h SER 57 CO 0.54 0.01 -0.63 -3.20 -1.14 0.00 0.00 176.83 172.40 1b2u n ASN 58 N -3.10 -6.18 -0.27 3.07 5.15 -1.26 -4.87 115.26 107.80 1b2u n ASN 58 Ca 0.00 -0.36 0.09 0.00 -0.60 0.00 0.00 54.58 53.71 1b2u n ASN 58 Cb 0.28 -4.96 0.33 0.00 -0.53 0.00 0.00 39.78 34.90 1b2u n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1b2u h ARG 59 N -1.73 0.79 -0.08 1.20 3.08 -2.00 -0.78 114.38 114.87 1b2u h ARG 59 Ca -0.54 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.46 1b2u h ARG 59 Cb 1.37 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1b2u h ARG 59 CO 0.57 0.52 0.00 0.39 -1.07 0.00 0.00 179.97 180.38 1b2u n GLU 60 N -4.54 1.57 -1.79 0.04 1.02 -1.26 -4.95 120.64 110.73 1b2u n GLU 60 Ca 0.16 -0.84 -0.16 0.00 -0.02 0.00 0.00 57.16 56.30 1b2u n GLU 60 Cb 0.36 -1.43 -0.04 0.00 -0.02 0.00 0.00 31.44 30.31 1b2u n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b2u n GLY 61 N 1.10 0.85 0.18 0.62 0.00 -0.30 -4.89 105.19 102.75 1b2u n GLY 61 Ca 0.18 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 46.00 1b2u n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b2u h LYS 62 N 0.00 0.00 -6.04 1.61 1.57 -1.92 -3.43 116.57 108.36 1b2u h LYS 62 Ca -0.34 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.84 1b2u h LYS 62 Cb 1.13 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 1b2u h LYS 62 CO 0.46 0.38 -0.41 -0.51 -0.57 0.00 0.00 179.45 178.80 1b2u s LEU 63 N -6.80 4.31 0.18 2.94 1.43 -1.26 -4.99 118.68 114.49 1b2u s LEU 63 Ca 0.01 0.41 -0.32 0.00 -1.03 0.00 0.00 54.13 53.21 1b2u s LEU 63 Cb 0.10 -3.12 -0.11 0.00 0.03 0.00 0.00 46.19 43.09 1b2u s LEU 63 CO 0.69 0.10 1.64 -2.16 0.23 0.00 0.00 176.35 176.85 1b2u s PRO 64 N -2.64 4.18 0.09 1.29 0.04 -1.26 -5.00 135.00 131.69 1b2u s PRO 64 Ca 0.38 2.46 0.04 0.00 0.04 0.00 0.00 61.00 63.92 1b2u s PRO 64 Cb -0.12 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1b2u s PRO 64 CO 0.27 -0.67 0.03 0.20 0.04 0.00 0.00 177.00 176.86 1b2u s GLY 65 N 1.21 1.96 -0.08 0.56 0.00 -1.26 -5.09 107.32 104.62 1b2u s GLY 65 Ca 0.72 -1.08 -0.22 0.00 0.00 0.00 0.00 44.72 44.14 1b2u s GLY 65 CO 0.32 -1.06 0.52 1.25 0.00 0.00 0.00 173.10 174.12 1b2u s LYS 66 N -2.34 0.82 0.28 2.90 2.20 -1.26 -5.07 119.74 117.27 1b2u s LYS 66 Ca 0.27 0.23 -0.30 0.00 -0.36 0.00 0.00 55.97 55.81 1b2u s LYS 66 Cb -0.12 0.38 -0.12 0.00 -1.51 0.00 0.00 37.83 36.46 1b2u s LYS 66 CO 0.20 -0.22 1.53 0.43 -0.36 0.00 0.00 175.35 176.93 1b2u n SER 67 N 1.50 3.49 0.00 1.43 7.64 -1.26 -1.28 113.62 125.14 1b2u n SER 67 Ca -0.19 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.85 1b2u n SER 67 Cb 0.56 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 1b2u n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1b2u n GLY 68 N 2.03 3.27 3.70 0.23 0.00 -1.26 -5.02 105.19 108.14 1b2u n GLY 68 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1b2u n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1b2u s ARG 69 N -0.55 4.46 0.13 1.61 3.52 -0.41 -4.96 118.95 122.75 1b2u s ARG 69 Ca 0.00 1.22 0.07 0.00 -0.13 0.00 0.00 55.73 56.89 1b2u s ARG 69 Cb 0.00 -3.49 -0.04 0.00 -1.56 0.00 0.00 34.95 29.86 1b2u s ARG 69 CO 0.00 -0.13 -0.05 0.95 -0.81 0.00 0.00 175.30 175.26 1b2u s THR 70 N 1.38 3.56 0.12 4.11 -4.23 -1.26 -4.74 115.64 114.58 1b2u s THR 70 Ca 0.46 -1.32 0.10 0.00 -1.18 0.00 0.00 61.69 59.75 1b2u s THR 70 Cb -0.19 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 1b2u s THR 70 CO 0.21 0.02 -0.26 0.26 -0.54 0.00 0.00 174.62 174.31 1b2u s TRP 71 N -1.45 2.22 0.20 3.99 0.52 -1.26 -1.08 118.94 122.08 1b2u s TRP 71 Ca 0.24 -0.39 0.02 0.00 0.02 0.00 0.00 56.10 55.99 1b2u s TRP 71 Cb -0.10 -1.21 -0.05 0.00 -1.15 0.00 0.00 33.47 30.96 1b2u s TRP 71 CO 0.16 0.31 0.03 1.03 0.02 0.00 0.00 176.95 178.50 1b2u s ARG 72 N -1.99 1.19 0.25 4.98 0.52 0.29 -0.38 118.95 123.81 1b2u s ARG 72 Ca 0.13 -1.60 0.01 0.00 -0.52 0.00 0.00 55.73 53.75 1b2u s ARG 72 Cb -0.10 -0.26 -0.05 0.00 0.52 0.00 0.00 34.95 35.06 1b2u s ARG 72 CO 0.05 -0.18 0.10 -1.83 0.02 0.00 0.00 175.30 173.47 1b2u s GLU 73 N -3.95 1.39 -0.10 3.54 -1.05 -0.78 -0.65 118.70 117.10 1b2u s GLU 73 Ca 0.28 -1.75 -0.25 0.00 -0.15 0.00 0.00 54.97 53.10 1b2u s GLU 73 Cb 0.06 -0.20 0.06 0.00 -0.44 0.00 0.00 34.13 33.62 1b2u s GLU 73 CO 0.07 -0.31 0.59 0.00 0.95 0.00 0.00 175.26 176.56 1b2u s ALA 74 N -3.81 -1.50 0.33 -0.84 0.00 -0.14 -0.35 121.76 115.45 1b2u s ALA 74 Ca 0.38 1.25 -0.28 0.00 0.00 0.00 0.00 51.96 53.31 1b2u s ALA 74 Cb 0.08 -0.29 -0.10 0.00 0.00 0.00 0.00 23.12 22.81 1b2u s ALA 74 CO 0.13 -0.32 1.26 -0.51 0.00 0.00 0.00 175.76 176.32 1b2u s ASP 75 N -0.76 6.82 0.01 0.00 1.11 0.28 -0.61 116.67 123.52 1b2u s ASP 75 Ca -0.08 2.59 0.07 0.00 0.18 0.00 0.00 52.55 55.30 1b2u s ASP 75 Cb -0.02 -2.64 -0.03 0.00 1.07 0.00 0.00 42.92 41.30 1b2u s ASP 75 CO 0.06 -0.49 -0.21 -0.63 1.18 0.00 0.00 175.17 175.08 1b2u s ILE 76 N -1.17 2.53 -1.55 0.77 -1.09 -0.62 -4.69 121.20 115.39 1b2u s ILE 76 Ca 0.49 -1.12 0.00 0.00 -2.23 0.00 0.00 60.65 57.79 1b2u s ILE 76 Cb -0.38 -1.99 0.00 0.00 -1.58 0.00 0.00 42.46 38.51 1b2u s ILE 76 CO 0.50 0.45 0.00 0.59 -1.23 0.00 0.00 174.94 175.25 1b2u n ASN 77 N 1.96 -5.07 -4.87 3.58 3.02 0.72 -4.54 115.26 110.06 1b2u n ASN 77 Ca -0.16 0.07 -0.33 0.00 -0.03 0.00 0.00 54.58 54.12 1b2u n ASN 77 Cb 0.52 -4.15 -0.05 0.00 -0.61 0.00 0.00 39.78 35.49 1b2u n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b2u s TYR 78 N -2.82 3.53 0.10 3.10 5.04 -1.26 -4.96 117.35 120.08 1b2u s TYR 78 Ca 0.00 0.78 0.00 0.00 -2.44 0.00 0.00 57.07 55.41 1b2u s TYR 78 Cb 0.00 -2.16 0.00 0.00 0.35 0.00 0.00 41.96 40.15 1b2u s TYR 78 CO 0.00 0.44 0.00 2.41 -1.34 0.00 0.00 175.55 177.06 1b2u n THR 79 N 0.50 0.53 -3.78 4.34 -1.04 -1.26 -4.92 114.28 108.65 1b2u n THR 79 Ca -0.05 0.18 -0.04 0.00 -2.04 0.00 0.00 64.05 62.10 1b2u n THR 79 Cb 0.52 -1.22 -0.01 0.00 -1.82 0.00 0.00 70.33 67.81 1b2u n THR 79 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1b2u s SER 80 N -5.43 -0.14 0.00 8.00 1.04 -1.26 -4.76 113.70 111.15 1b2u s SER 80 Ca 0.00 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1b2u s SER 80 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1b2u s SER 80 CO 0.00 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.88 1b2u n GLY 81 N -0.51 -0.96 3.78 7.32 0.00 -1.26 -4.90 105.19 108.65 1b2u n GLY 81 Ca -0.06 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.10 1b2u n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b2u s PHE 82 N 0.00 2.70 0.86 1.61 0.08 -1.26 -4.64 117.98 117.33 1b2u s PHE 82 Ca 0.00 1.55 -0.10 0.00 0.12 0.00 0.00 56.93 58.49 1b2u s PHE 82 Cb 0.00 -3.24 0.11 0.00 -0.57 0.00 0.00 43.02 39.32 1b2u s PHE 82 CO 0.00 -1.52 1.12 1.03 -0.10 0.00 0.00 175.22 175.75 1b2u s ARG 83 N -3.44 1.49 0.00 0.44 0.52 -1.26 -5.03 118.95 111.68 1b2u s ARG 83 Ca 0.71 1.32 0.00 0.00 -0.52 0.00 0.00 55.73 57.24 1b2u s ARG 83 Cb -0.22 -1.80 0.00 0.00 0.52 0.00 0.00 34.95 33.45 1b2u s ARG 83 CO 0.29 -2.23 0.00 0.27 0.02 0.00 0.00 175.30 173.65 1b2u n ASN 84 N -3.94 0.90 -1.27 0.23 0.23 -1.26 -5.06 115.26 105.09 1b2u n ASN 84 Ca 0.10 -0.20 0.08 0.00 -0.53 0.00 0.00 54.58 54.03 1b2u n ASN 84 Cb 0.53 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.53 1b2u n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1b2u n SER 85 N -0.43 4.34 -4.58 0.53 3.41 -1.26 -4.97 113.62 110.66 1b2u n SER 85 Ca 0.00 -2.59 -0.34 0.00 -0.26 0.00 0.00 58.87 55.67 1b2u n SER 85 Cb 0.00 -0.52 -0.11 0.00 -0.26 0.00 0.00 64.21 63.32 1b2u n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1b2u s ASP 86 N -1.20 5.14 -0.00 4.04 1.01 -1.26 -2.11 116.67 122.30 1b2u s ASP 86 Ca 0.44 0.00 -0.07 0.00 0.71 0.00 0.00 52.55 53.64 1b2u s ASP 86 Cb 0.31 -1.75 0.00 0.00 1.01 0.00 0.00 42.92 42.49 1b2u s ASP 86 CO 0.18 0.23 0.13 -0.13 0.21 0.00 0.00 175.17 175.78 1b2u s ARG 87 N 0.04 0.45 0.01 8.23 1.81 -0.16 -1.59 118.95 127.74 1b2u s ARG 87 Ca 0.02 -0.36 0.03 0.00 -1.72 0.00 0.00 55.73 53.70 1b2u s ARG 87 Cb -0.13 0.19 -0.03 0.00 -0.45 0.00 0.00 34.95 34.53 1b2u s ARG 87 CO 0.02 -0.11 -0.05 -1.50 -0.68 0.00 0.00 175.30 172.98 1b2u s ILE 88 N -1.27 3.77 -0.07 1.52 2.07 0.22 -1.57 121.20 125.86 1b2u s ILE 88 Ca -0.14 -0.75 0.03 0.00 -1.41 0.00 0.00 60.65 58.39 1b2u s ILE 88 Cb -0.07 -2.66 0.01 0.00 0.13 0.00 0.00 42.46 39.87 1b2u s ILE 88 CO 0.01 0.38 -0.17 -0.76 -1.91 0.00 0.00 174.94 172.49 1b2u s LEU 89 N -1.48 1.84 -0.03 8.50 2.01 0.16 -0.96 118.68 128.72 1b2u s LEU 89 Ca 0.18 -0.40 -0.03 0.00 0.01 0.00 0.00 54.13 53.89 1b2u s LEU 89 Cb -0.11 -1.05 0.01 0.00 0.01 0.00 0.00 46.19 45.04 1b2u s LEU 89 CO 0.08 0.10 0.09 -0.72 1.01 0.00 0.00 176.35 176.92 1b2u s TYR 90 N 0.43 -0.08 0.48 0.29 1.13 0.17 -0.64 117.35 119.14 1b2u s TYR 90 Ca -0.14 0.19 0.05 0.00 -1.41 0.00 0.00 57.07 55.77 1b2u s TYR 90 Cb -0.16 0.02 0.02 0.00 -1.10 0.00 0.00 41.96 40.75 1b2u s TYR 90 CO 0.05 -0.07 0.66 -1.54 -2.51 0.00 0.00 175.55 172.14 1b2u s SER 91 N -0.12 5.47 0.52 -0.18 1.04 -0.87 -0.55 113.70 119.01 1b2u s SER 91 Ca -0.02 -0.30 0.31 0.00 0.48 0.00 0.00 55.95 56.43 1b2u s SER 91 Cb -0.02 -0.67 1.20 0.00 0.10 0.00 0.00 66.02 66.63 1b2u s SER 91 CO 0.00 -0.95 1.92 0.77 0.98 0.00 0.00 173.24 175.97 1b2u h SER 92 N 0.39 0.00 -0.47 7.02 4.64 -1.46 -1.23 113.55 122.44 1b2u h SER 92 Ca -0.40 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.88 1b2u h SER 92 Cb 1.29 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.35 1b2u h SER 92 CO 0.47 0.04 0.04 -0.90 -0.87 0.00 0.00 176.83 175.62 1b2u n ASP 93 N -3.15 4.75 -1.77 4.97 5.75 -1.26 -4.98 116.55 120.86 1b2u n ASP 93 Ca 0.01 -3.05 -0.13 0.00 -0.01 0.00 0.00 54.79 51.61 1b2u n ASP 93 Cb 0.35 -0.64 0.02 0.00 -1.03 0.00 0.00 41.12 39.81 1b2u n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1b2u n TRP 94 N -0.02 -1.05 -2.89 2.11 7.02 -0.47 -5.03 117.44 117.11 1b2u n TRP 94 Ca 0.28 0.26 -0.39 0.00 -1.02 0.00 0.00 57.50 56.62 1b2u n TRP 94 Cb 1.11 -2.97 -0.06 0.00 -2.42 0.00 0.00 31.31 26.96 1b2u n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1b2u s LEU 95 N -3.96 4.58 -0.03 -0.99 1.43 -1.26 -4.84 118.68 113.61 1b2u s LEU 95 Ca 0.15 1.76 0.03 0.00 -1.03 0.00 0.00 54.13 55.04 1b2u s LEU 95 Cb -0.07 -3.48 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1b2u s LEU 95 CO 0.19 0.16 -0.12 -0.63 0.23 0.00 0.00 176.35 176.18 1b2u s ILE 96 N -1.21 1.04 0.17 -0.59 1.01 -0.50 -2.04 121.20 119.07 1b2u s ILE 96 Ca 0.39 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.58 1b2u s ILE 96 Cb -0.24 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.28 1b2u s ILE 96 CO 0.28 0.31 -0.04 -0.31 0.00 0.00 0.00 174.94 175.18 1b2u s TYR 97 N 0.18 1.30 0.14 3.97 1.51 0.18 0.05 117.35 124.69 1b2u s TYR 97 Ca -0.04 -0.89 0.01 0.00 -1.01 0.00 0.00 57.07 55.13 1b2u s TYR 97 Cb -0.10 -0.72 -0.04 0.00 -0.11 0.00 0.00 41.96 40.98 1b2u s TYR 97 CO 0.01 -0.05 0.01 -1.59 -1.11 0.00 0.00 175.55 172.81 1b2u s LYS 98 N -3.83 0.99 0.00 -0.62 -2.85 -0.29 0.37 119.74 113.51 1b2u s LYS 98 Ca 0.22 -1.46 -0.00 0.00 -1.00 0.00 0.00 55.97 53.72 1b2u s LYS 98 Cb 0.05 -0.09 -0.00 0.00 -2.06 0.00 0.00 37.83 35.72 1b2u s LYS 98 CO 0.03 -0.15 -0.00 -0.08 0.10 0.00 0.00 175.35 175.25 1b2u s THR 99 N -3.78 0.02 -0.49 3.79 -1.32 -0.61 -0.64 115.64 112.61 1b2u s THR 99 Ca 0.21 -0.19 0.04 0.00 -1.21 0.00 0.00 61.69 60.54 1b2u s THR 99 Cb 0.06 -0.07 0.05 0.00 -1.51 0.00 0.00 72.50 71.03 1b2u s THR 99 CO 0.01 -0.11 0.72 0.35 -2.21 0.00 0.00 174.62 173.39 1b2u n THR 100 N 2.76 0.18 -2.18 5.08 -2.24 -1.26 -0.99 114.28 115.63 1b2u n THR 100 Ca -0.15 -0.59 -0.25 0.00 -2.27 0.00 0.00 64.05 60.79 1b2u n THR 100 Cb 0.59 0.98 0.01 0.00 -2.10 0.00 0.00 70.33 69.81 1b2u n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1b2u n ASP 101 N 0.17 4.88 -3.65 3.42 5.68 -1.25 -4.58 116.55 121.22 1b2u n ASP 101 Ca 0.03 -3.74 -0.26 0.00 -0.50 0.00 0.00 54.79 50.32 1b2u n ASP 101 Cb 0.14 -0.39 0.04 0.00 -1.14 0.00 0.00 41.12 39.77 1b2u n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1b2u n HIS 102 N -0.63 -1.97 -0.93 2.11 -0.00 -0.89 -2.93 115.22 109.98 1b2u n HIS 102 Ca 0.42 0.65 0.00 0.00 -0.00 0.00 0.00 57.72 58.79 1b2u n HIS 102 Cb 0.85 -3.84 0.00 0.00 -0.00 0.00 0.00 29.99 27.00 1b2u n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1b2u n TYR 103 N -4.08 0.00 -0.00 1.57 4.01 -1.26 -4.87 117.16 112.53 1b2u n TYR 103 Ca -0.17 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.45 1b2u n TYR 103 Cb 0.63 -1.09 -0.08 0.00 -0.31 0.00 0.00 39.34 38.49 1b2u n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1b2u h GLN 104 N 0.63 0.05 -4.97 -0.72 4.20 -1.96 -3.45 115.11 108.89 1b2u h GLN 104 Ca 0.00 -0.01 -0.32 0.00 0.06 0.00 0.00 58.65 58.38 1b2u h GLN 104 Cb 0.44 -0.01 -0.17 0.00 0.30 0.00 0.00 27.48 28.03 1b2u h GLN 104 CO 0.00 0.29 -0.73 0.95 -0.67 0.00 0.00 178.83 178.67 1b2u s THR 105 N -5.17 0.95 0.02 -0.54 -4.23 -1.26 -5.12 115.64 100.30 1b2u s THR 105 Ca -0.14 -1.68 0.04 0.00 -1.18 0.00 0.00 61.69 58.73 1b2u s THR 105 Cb 0.04 -1.40 -0.02 0.00 1.34 0.00 0.00 72.50 72.46 1b2u s THR 105 CO 0.68 -0.58 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.69 1b2u s PHE 106 N -2.53 1.09 -0.09 3.99 0.40 -1.26 -4.45 117.98 115.14 1b2u s PHE 106 Ca 0.06 -0.31 0.04 0.00 -0.60 0.00 0.00 56.93 56.13 1b2u s PHE 106 Cb -0.02 -0.66 -0.00 0.00 0.51 0.00 0.00 43.02 42.84 1b2u s PHE 106 CO -0.00 0.01 -0.23 0.99 0.70 0.00 0.00 175.22 176.69 1b2u s THR 107 N -0.71 1.97 -0.02 0.64 2.01 0.18 -4.93 115.64 114.79 1b2u s THR 107 Ca 0.01 -0.98 -0.30 0.00 0.31 0.00 0.00 61.69 60.73 1b2u s THR 107 Cb -0.07 -1.70 -0.06 0.00 0.01 0.00 0.00 72.50 70.68 1b2u s THR 107 CO 0.01 0.54 1.52 -0.75 -0.69 0.00 0.00 174.62 175.25 1b2u s LYS 108 N 0.23 4.23 -0.01 4.92 2.20 -1.26 -1.14 119.74 128.91 1b2u s LYS 108 Ca -0.14 2.09 0.07 0.00 -0.36 0.00 0.00 55.97 57.62 1b2u s LYS 108 Cb -0.17 -3.72 -0.09 0.00 -1.51 0.00 0.00 37.83 32.34 1b2u s LYS 108 CO 0.07 -0.70 0.21 0.44 -0.36 0.00 0.00 175.35 175.00 1b2u n ILE 109 N 4.99 0.00 -1.10 5.43 -5.35 0.11 -4.95 119.36 118.48 1b2u n ILE 109 Ca 0.15 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1b2u n ILE 109 Cb 0.43 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 38.96 1b2u n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33