#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3s s GLN 2 N 0.00 4.21 -0.03 0.00 -0.21 -1.26 -5.03 119.66 117.34 1b3s s GLN 2 Ca 0.00 1.06 0.01 0.00 0.02 0.00 0.00 55.36 56.45 1b3s s GLN 2 Cb 0.00 -3.64 0.02 0.00 1.00 0.00 0.00 33.01 30.39 1b3s s GLN 2 CO 0.00 -0.54 -0.02 0.08 -2.12 0.00 0.00 175.29 172.69 1b3s s VAL 3 N 2.89 0.31 -0.29 1.09 1.01 -1.26 -4.52 120.40 119.63 1b3s s VAL 3 Ca 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 1b3s s VAL 3 Cb -0.15 -0.37 0.09 0.00 0.00 0.00 0.00 36.38 35.95 1b3s s VAL 3 CO 0.07 0.16 0.08 -0.63 0.00 0.00 0.00 175.10 174.79 1b3s s ILE 4 N 0.82 0.80 -0.06 2.22 1.01 -1.26 -5.01 121.20 119.72 1b3s s ILE 4 Ca -0.09 -1.24 0.08 0.00 0.00 0.00 0.00 60.65 59.40 1b3s s ILE 4 Cb -0.12 -1.55 0.13 0.00 0.01 0.00 0.00 42.46 40.92 1b3s s ILE 4 CO -0.01 -0.59 1.01 -0.46 0.00 0.00 0.00 174.94 174.89 1b3s n ASN 5 N 4.89 1.47 -4.98 3.58 6.94 -1.26 -4.78 115.26 121.12 1b3s n ASN 5 Ca -0.04 -2.36 -0.20 0.00 -0.02 0.00 0.00 54.58 51.96 1b3s n ASN 5 Cb 0.43 -0.23 -0.01 0.00 -2.36 0.00 0.00 39.78 37.60 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 -1.48 4.72 0.11 5.53 -4.23 -1.26 -1.05 115.64 117.98 1b3s s THR 6 Ca 0.14 -1.00 -0.31 0.00 -1.18 0.00 0.00 61.69 59.34 1b3s s THR 6 Cb 0.12 -3.65 -0.11 0.00 1.34 0.00 0.00 72.50 70.20 1b3s s THR 6 CO 0.01 -0.25 1.59 -0.26 -0.54 0.00 0.00 174.62 175.17 1b3s h PHE 7 N 1.05 -1.16 -0.06 3.99 0.04 -1.98 0.72 116.94 119.53 1b3s h PHE 7 Ca -0.49 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.31 1b3s h PHE 7 Cb 1.24 0.49 -0.00 0.00 2.20 0.00 0.00 35.95 39.88 1b3s h PHE 7 CO 0.44 -0.52 0.04 -0.44 -0.60 0.00 0.00 178.31 177.23 1b3s h ASP 8 N -0.67 0.06 -0.01 2.17 3.32 -1.98 0.78 116.42 120.10 1b3s h ASP 8 Ca 0.01 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.09 1b3s h ASP 8 Cb 0.69 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 1b3s h ASP 8 CO -0.22 0.05 -0.23 1.23 -1.72 0.00 0.00 179.24 178.35 1b3s h GLY 9 N 0.08 -0.33 1.64 2.75 0.00 -1.79 0.20 103.07 105.62 1b3s h GLY 9 Ca 0.02 0.27 -0.17 0.00 0.00 0.00 0.00 47.33 47.46 1b3s h GLY 9 CO -0.01 -0.20 -0.67 -2.08 0.00 0.00 0.00 176.54 173.58 1b3s h VAL 10 N -0.36 1.38 -0.25 4.60 2.07 0.52 -1.19 116.25 123.02 1b3s h VAL 10 Ca 0.06 -2.06 -0.02 0.00 0.82 0.00 0.00 66.70 65.50 1b3s h VAL 10 Cb 0.44 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1b3s h VAL 10 CO -0.21 0.62 0.07 0.00 0.02 0.00 0.00 177.57 178.07 1b3s h ALA 11 N 1.03 0.33 -0.11 1.67 0.00 -0.52 0.66 119.26 122.32 1b3s h ALA 11 Ca -0.02 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1b3s h ALA 11 Cb 1.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1b3s h ALA 11 CO 0.11 -0.03 0.05 -0.44 0.00 0.00 0.00 179.25 178.94 1b3s h ASP 12 N 0.23 0.07 -0.49 0.00 3.32 -0.56 -1.56 116.42 117.43 1b3s h ASP 12 Ca 0.08 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1b3s h ASP 12 Cb 0.26 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1b3s h ASP 12 CO -0.00 0.06 0.32 0.22 -1.72 0.00 0.00 179.24 178.12 1b3s h TYR 13 N 0.11 0.62 -0.66 4.55 5.03 -1.14 0.33 116.97 125.81 1b3s h TYR 13 Ca 0.04 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.37 1b3s h TYR 13 Cb 0.01 -0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.05 1b3s h TYR 13 CO -0.09 0.40 0.43 -0.07 -1.32 0.00 0.00 178.16 177.51 1b3s h LEU 14 N 0.67 0.76 0.00 2.82 3.38 -0.62 0.38 115.31 122.69 1b3s h LEU 14 Ca 0.18 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 1b3s h LEU 14 Cb -0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1b3s h LEU 14 CO -0.04 0.56 -0.65 1.56 0.09 0.00 0.00 178.44 179.96 1b3s h GLN 15 N 0.90 0.00 0.00 1.13 4.20 -0.94 -0.41 115.11 119.98 1b3s h GLN 15 Ca 0.24 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 1b3s h GLN 15 Cb -0.10 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1b3s h GLN 15 CO -0.05 0.48 -0.03 1.15 -0.67 0.00 0.00 178.83 179.71 1b3s h THR 16 N 0.00 0.03 -0.44 -0.54 2.02 -0.10 -3.40 112.91 110.49 1b3s h THR 16 Ca -0.03 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.13 1b3s h THR 16 Cb 1.42 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1b3s h THR 16 CO 0.06 0.01 0.00 -1.22 0.37 0.00 0.00 175.52 174.75 1b3s n TYR 17 N -4.77 0.58 -3.74 3.16 4.01 0.13 -4.98 117.16 111.55 1b3s n TYR 17 Ca -0.01 -0.29 -0.29 0.00 -0.16 0.00 0.00 57.90 57.16 1b3s n TYR 17 Cb 0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.05 1b3s n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1b3s n HIS 18 N 1.29 -1.89 -3.73 -0.72 8.25 -0.16 -4.91 115.22 113.34 1b3s n HIS 18 Ca 0.20 0.66 -0.05 0.00 -0.26 0.00 0.00 57.72 58.27 1b3s n HIS 18 Cb 0.55 -3.18 -0.02 0.00 1.12 0.00 0.00 29.99 28.45 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 -6.41 1.30 0.29 -0.41 -2.85 -1.25 -5.05 119.74 105.34 1b3s s LYS 19 Ca 0.56 -0.69 -0.17 0.00 -1.00 0.00 0.00 55.97 54.68 1b3s s LYS 19 Cb -0.30 0.46 -0.09 0.00 -2.06 0.00 0.00 37.83 35.85 1b3s s LYS 19 CO 0.69 -0.59 0.73 -0.51 0.10 0.00 0.00 175.35 175.77 1b3s s LEU 20 N -2.87 4.17 0.84 2.77 1.43 -1.26 -3.89 118.68 119.87 1b3s s LEU 20 Ca 0.10 1.33 -0.15 0.00 -1.03 0.00 0.00 54.13 54.39 1b3s s LEU 20 Cb -0.02 -3.90 -0.02 0.00 0.03 0.00 0.00 46.19 42.28 1b3s s LEU 20 CO 0.01 -0.12 0.34 -2.65 0.23 0.00 0.00 176.35 174.17 1b3s n PRO 21 N 0.04 0.01 0.00 1.29 -0.01 -1.26 -4.84 135.00 130.22 1b3s n PRO 21 Ca 0.01 0.04 0.07 0.00 -0.01 0.00 0.00 63.50 63.62 1b3s n PRO 21 Cb 0.52 -1.75 0.43 0.00 -0.01 0.00 0.00 33.50 32.69 1b3s n PRO 21 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 175.50 175.24 1b3s n ASP 22 N -0.36 0.00 -1.13 2.55 9.92 -1.26 -3.06 116.55 123.21 1b3s n ASP 22 Ca 0.07 -0.37 0.06 0.00 -0.53 0.00 0.00 54.79 54.02 1b3s n ASP 22 Cb 0.52 -0.05 0.23 0.00 -0.64 0.00 0.00 41.12 41.18 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 -1.05 3.26 -4.46 -2.24 6.94 -1.26 -4.87 115.26 111.58 1b3s n ASN 23 Ca 0.10 -2.30 -0.33 0.00 -0.02 0.00 0.00 54.58 52.03 1b3s n ASN 23 Cb 0.06 -0.47 -0.13 0.00 -2.36 0.00 0.00 39.78 36.89 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 -1.75 2.93 -0.01 -2.53 2.02 -1.17 -0.75 117.35 116.09 1b3s s TYR 24 Ca 0.33 -0.38 0.04 0.00 -0.37 0.00 0.00 57.07 56.68 1b3s s TYR 24 Cb 0.21 -1.88 -0.01 0.00 -0.40 0.00 0.00 41.96 39.89 1b3s s TYR 24 CO 0.16 -0.05 -0.12 0.96 -1.57 0.00 0.00 175.55 174.93 1b3s s ILE 25 N 0.19 0.91 1.03 2.71 -4.36 -0.40 -4.87 121.20 116.41 1b3s s ILE 25 Ca -0.04 -0.50 -0.12 0.00 -0.26 0.00 0.00 60.65 59.73 1b3s s ILE 25 Cb -0.14 -0.76 0.21 0.00 1.25 0.00 0.00 42.46 43.02 1b3s s ILE 25 CO 0.04 0.25 1.07 0.42 0.24 0.00 0.00 174.94 176.97 1b3s s THR 26 N -0.27 2.20 0.27 8.37 -4.23 -1.18 -2.18 115.64 118.62 1b3s s THR 26 Ca 0.04 0.06 -0.03 0.00 -1.18 0.00 0.00 61.69 60.58 1b3s s THR 26 Cb -0.04 -2.28 0.22 0.00 1.34 0.00 0.00 72.50 71.74 1b3s s THR 26 CO -0.00 -0.08 1.90 0.11 -0.54 0.00 0.00 174.62 176.01 1b3s h LYS 27 N -2.13 1.10 0.00 3.99 1.57 -1.97 -0.57 116.57 118.56 1b3s h LYS 27 Ca -0.54 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 57.97 1b3s h LYS 27 Cb 1.31 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 1b3s h LYS 27 CO 0.51 0.79 -0.71 0.66 -0.57 0.00 0.00 179.45 180.14 1b3s h SER 28 N 1.11 0.00 -0.40 0.86 4.64 -1.98 0.36 113.55 118.14 1b3s h SER 28 Ca 0.28 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.51 1b3s h SER 28 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1b3s h SER 28 CO -0.05 0.71 -0.10 -0.33 -0.87 0.00 0.00 176.83 176.18 1b3s h GLU 29 N 0.00 0.77 -0.25 4.77 5.08 -1.81 0.95 114.58 124.09 1b3s h GLU 29 Ca -0.01 -0.30 -0.11 0.00 -1.00 0.00 0.00 59.36 57.94 1b3s h GLU 29 Cb 1.40 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1b3s h GLU 29 CO 0.09 0.91 -0.32 0.00 -1.00 0.00 0.00 179.01 178.69 1b3s h ALA 30 N 0.84 0.98 -0.40 3.43 0.00 -0.97 -2.65 119.26 120.50 1b3s h ALA 30 Ca 0.10 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1b3s h ALA 30 Cb 0.63 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1b3s h ALA 30 CO 0.04 0.60 -0.08 1.96 0.00 0.00 0.00 179.25 181.78 1b3s h GLN 31 N 0.45 0.75 -0.04 0.00 4.20 0.05 0.12 115.11 120.63 1b3s h GLN 31 Ca 0.05 -0.28 0.01 0.00 0.06 0.00 0.00 58.65 58.49 1b3s h GLN 31 Cb 0.78 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 1b3s h GLN 31 CO 0.06 0.88 0.03 0.00 -0.67 0.00 0.00 178.83 179.13 1b3s h ALA 32 N 0.85 2.01 -0.00 3.87 0.00 -0.72 0.25 119.26 125.52 1b3s h ALA 32 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1b3s h ALA 32 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1b3s h ALA 32 CO 0.04 -0.02 -0.17 1.28 0.00 0.00 0.00 179.25 180.38 1b3s n LEU 33 N -4.53 0.19 0.00 0.00 4.77 -1.01 -4.92 117.00 111.50 1b3s n LEU 33 Ca -0.02 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1b3s n LEU 33 Cb 0.11 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1b3s n LEU 33 CO 0.34 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1b3s n GLY 34 N 1.48 1.36 3.71 -0.72 0.00 0.87 -4.83 105.19 107.06 1b3s n GLY 34 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1b3s n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1b3s s TRP 35 N -2.00 3.33 -0.31 1.61 -0.00 0.36 -4.93 118.94 117.01 1b3s s TRP 35 Ca 0.00 1.20 0.03 0.00 -0.00 0.00 0.00 56.10 57.33 1b3s s TRP 35 Cb 0.00 -3.48 0.09 0.00 -0.00 0.00 0.00 33.47 30.08 1b3s s TRP 35 CO 0.00 -1.53 0.01 0.08 -0.00 0.00 0.00 176.95 175.50 1b3s s VAL 36 N 1.32 1.98 0.36 5.86 1.01 -1.26 -4.54 120.40 125.13 1b3s s VAL 36 Ca 0.60 -1.93 0.18 0.00 0.00 0.00 0.00 61.98 60.82 1b3s s VAL 36 Cb -0.30 -2.36 0.34 0.00 0.00 0.00 0.00 36.38 34.06 1b3s s VAL 36 CO 0.28 -0.42 1.62 0.00 0.00 0.00 0.00 175.10 176.58 1b3s h ALA 37 N 7.75 2.09 -0.00 5.51 0.00 -1.99 -0.20 119.26 132.41 1b3s h ALA 37 Ca -0.10 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1b3s h ALA 37 Cb 1.03 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1b3s h ALA 37 CO 0.49 -0.79 -0.07 -1.13 0.00 0.00 0.00 179.25 177.75 1b3s n SER 38 N -5.14 0.09 0.05 0.00 3.41 -1.26 -2.90 113.62 107.88 1b3s n SER 38 Ca 0.35 0.20 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 1b3s n SER 38 Cb 1.15 -0.34 0.14 0.00 -0.26 0.00 0.00 64.21 64.90 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 -1.41 0.29 -3.50 4.33 5.02 -0.09 -4.96 118.16 117.84 1b3s n LYS 39 Ca 0.09 0.07 -0.21 0.00 -2.02 0.00 0.00 58.31 56.23 1b3s n LYS 39 Cb 0.31 -1.67 0.08 0.00 -0.02 0.00 0.00 35.03 33.73 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 1.34 -0.44 1.49 0.72 0.00 -1.14 -4.93 105.19 102.23 1b3s n GLY 40 Ca 0.03 0.18 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.86 3.22 -0.14 1.61 6.94 -1.26 -3.88 115.26 118.89 1b3s n ASN 41 Ca -0.06 -3.59 -0.06 0.00 -0.02 0.00 0.00 54.58 50.86 1b3s n ASN 41 Cb 0.58 -0.69 0.03 0.00 -2.36 0.00 0.00 39.78 37.34 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 1.28 0.31 -2.13 -4.53 5.85 -1.90 -2.20 115.31 111.99 1b3s h LEU 42 Ca 0.31 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 1b3s h LEU 42 Cb 2.02 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 43.02 1b3s h LEU 42 CO 0.59 0.22 -0.03 0.00 -0.34 0.00 0.00 178.44 178.89 1b3s h ALA 43 N 1.23 1.76 0.00 1.25 0.00 -1.84 -0.82 119.26 120.84 1b3s h ALA 43 Ca 0.19 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1b3s h ALA 43 Cb 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1b3s h ALA 43 CO -0.14 0.03 -0.49 -0.44 0.00 0.00 0.00 179.25 178.21 1b3s h ASP 44 N 0.00 0.00 0.00 0.00 3.32 -1.76 -2.96 116.42 115.02 1b3s h ASP 44 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1b3s h ASP 44 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1b3s h ASP 44 CO 0.00 0.49 -0.72 1.33 -1.72 0.00 0.00 179.24 178.62 1b3s n VAL 45 N -3.38 0.00 -2.90 -1.35 0.24 -0.91 -4.76 118.33 105.27 1b3s n VAL 45 Ca 0.01 -0.23 -0.13 0.00 -2.04 0.00 0.00 64.34 61.94 1b3s n VAL 45 Cb 0.65 0.86 0.02 0.00 -1.47 0.00 0.00 33.84 33.90 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 -1.39 -0.03 -1.76 2.33 0.00 -0.36 -4.87 120.51 114.43 1b3s n ALA 46 Ca 0.01 -2.09 -0.42 0.00 0.00 0.00 0.00 53.44 50.94 1b3s n ALA 46 Cb 0.20 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 1b3s n ALA 46 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1b3s s PRO 47 N -0.15 4.13 0.00 0.00 0.04 -1.12 -1.28 135.00 136.63 1b3s s PRO 47 Ca 0.32 2.57 0.00 0.00 0.04 0.00 0.00 61.00 63.93 1b3s s PRO 47 Cb 0.24 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1b3s s PRO 47 CO -0.16 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 176.59 1b3s n GLY 48 N 3.38 0.57 3.96 0.56 0.00 -1.26 -5.00 105.19 107.40 1b3s n GLY 48 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.37 3.44 0.06 1.61 -0.14 -0.40 -4.84 119.74 119.10 1b3s s LYS 49 Ca 0.00 -0.71 0.04 0.00 -1.36 0.00 0.00 55.97 53.94 1b3s s LYS 49 Cb 0.00 -2.89 -0.03 0.00 -1.68 0.00 0.00 37.83 33.24 1b3s s LYS 49 CO 0.00 0.43 -0.12 -1.12 -0.76 0.00 0.00 175.35 173.78 1b3s s SER 50 N -3.87 1.39 0.08 2.83 0.01 0.07 -4.83 113.70 109.38 1b3s s SER 50 Ca 0.34 -0.56 -0.31 0.00 1.31 0.00 0.00 55.95 56.74 1b3s s SER 50 Cb -0.09 -0.03 -0.08 0.00 0.21 0.00 0.00 66.02 66.02 1b3s s SER 50 CO 0.29 -0.10 1.56 -0.63 0.41 0.00 0.00 173.24 174.77 1b3s s ILE 51 N -1.22 3.11 -0.28 1.44 -1.09 -1.26 -1.28 121.20 120.63 1b3s s ILE 51 Ca -0.04 0.64 -0.28 0.00 -2.23 0.00 0.00 60.65 58.74 1b3s s ILE 51 Cb -0.09 -3.41 0.18 0.00 -1.58 0.00 0.00 42.46 37.56 1b3s s ILE 51 CO 0.01 0.01 1.33 -0.83 -1.23 0.00 0.00 174.94 174.24 1b3s s GLY 52 N 1.90 0.11 0.00 6.18 0.00 -0.93 0.19 107.32 114.78 1b3s s GLY 52 Ca 0.70 2.92 0.00 0.00 0.00 0.00 0.00 44.72 48.34 1b3s s GLY 52 CO 0.31 1.33 0.00 0.61 0.00 0.00 0.00 173.10 175.34 1b3s n GLY 53 N 0.85 1.37 3.79 0.20 0.00 0.40 -3.09 105.19 108.71 1b3s n GLY 53 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.93 5.42 0.34 1.61 1.01 -1.24 -4.73 116.67 117.15 1b3s s ASP 54 Ca 0.00 1.86 -0.29 0.00 0.71 0.00 0.00 52.55 54.83 1b3s s ASP 54 Cb 0.00 -2.53 -0.11 0.00 1.01 0.00 0.00 42.92 41.28 1b3s s ASP 54 CO 0.00 -1.42 1.53 -0.63 0.21 0.00 0.00 175.17 174.86 1b3s s ILE 55 N -2.51 2.05 -0.24 0.77 1.01 -1.26 -1.82 121.20 119.19 1b3s s ILE 55 Ca 0.64 0.05 -0.04 0.00 0.00 0.00 0.00 60.65 61.30 1b3s s ILE 55 Cb -0.17 -3.03 0.01 0.00 0.01 0.00 0.00 42.46 39.27 1b3s s ILE 55 CO 0.42 0.01 -0.03 0.12 0.00 0.00 0.00 174.94 175.46 1b3s s PHE 56 N -0.66 3.03 -1.70 3.97 5.36 0.15 -4.72 117.98 123.40 1b3s s PHE 56 Ca 0.57 -1.18 0.31 0.00 -0.96 0.00 0.00 56.93 55.66 1b3s s PHE 56 Cb -0.47 -2.12 1.61 0.00 -0.34 0.00 0.00 43.02 41.70 1b3s s PHE 56 CO 0.57 -0.62 2.08 0.43 -1.46 0.00 0.00 175.22 176.22 1b3s n SER 57 N 4.76 0.11 -3.77 6.13 7.64 -1.26 -4.04 113.62 123.20 1b3s n SER 57 Ca -0.17 -0.56 -0.33 0.00 1.01 0.00 0.00 58.87 58.83 1b3s n SER 57 Cb 0.49 -0.14 0.03 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 -1.09 -5.11 0.22 6.43 5.15 -1.26 -4.83 115.26 114.76 1b3s n ASN 58 Ca 0.18 -1.02 0.15 0.00 -0.60 0.00 0.00 54.58 53.28 1b3s n ASN 58 Cb 0.20 -2.77 0.49 0.00 -0.53 0.00 0.00 39.78 37.17 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 -1.70 0.00 -0.02 1.20 3.08 -2.00 -2.65 114.38 112.29 1b3s h ARG 59 Ca -0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.42 1b3s h ARG 59 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.40 1b3s h ARG 59 CO 0.46 0.00 -0.29 0.39 -1.07 0.00 0.00 179.97 179.46 1b3s n GLU 60 N -2.84 1.56 -1.04 0.04 -0.58 -1.26 -4.97 120.64 111.55 1b3s n GLU 60 Ca 0.02 -1.07 -0.02 0.00 -0.42 0.00 0.00 57.16 55.68 1b3s n GLU 60 Cb 0.36 -1.36 -0.01 0.00 -0.57 0.00 0.00 31.44 29.87 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 1.21 0.51 0.26 0.62 0.00 -1.00 -4.92 105.19 101.87 1b3s n GLY 61 Ca 0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 46.02 45.74 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 0.49 0.49 -6.58 1.61 1.57 -1.93 -3.43 116.57 108.79 1b3s h LYS 62 Ca -0.03 -0.12 -0.52 0.00 -1.87 0.00 0.00 60.65 58.11 1b3s h LYS 62 Cb 0.21 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1b3s h LYS 62 CO 0.05 0.57 0.04 -0.51 -0.57 0.00 0.00 179.45 179.03 1b3s s LEU 63 N -8.94 4.18 -0.14 2.94 1.43 -1.26 -4.97 118.68 111.92 1b3s s LEU 63 Ca -0.07 1.22 -0.29 0.00 -1.03 0.00 0.00 54.13 53.96 1b3s s LEU 63 Cb 0.15 -3.79 -0.06 0.00 0.03 0.00 0.00 46.19 42.52 1b3s s LEU 63 CO 0.77 -0.09 2.09 -2.16 0.23 0.00 0.00 176.35 177.19 1b3s s PRO 64 N -2.59 3.51 0.72 1.29 0.04 -1.26 -4.98 135.00 131.73 1b3s s PRO 64 Ca 0.48 2.19 -0.10 0.00 0.04 0.00 0.00 61.00 63.61 1b3s s PRO 64 Cb -0.12 -4.28 0.04 0.00 0.04 0.00 0.00 34.50 30.18 1b3s s PRO 64 CO 0.19 -1.67 1.08 0.20 0.04 0.00 0.00 177.00 176.84 1b3s s GLY 65 N 6.72 1.62 -0.30 0.56 0.00 -1.26 -5.09 107.32 109.57 1b3s s GLY 65 Ca 0.94 -0.60 -0.22 0.00 0.00 0.00 0.00 44.72 44.84 1b3s s GLY 65 CO 0.37 -0.20 1.40 1.25 0.00 0.00 0.00 173.10 175.92 1b3s s LYS 66 N -5.35 0.04 -0.09 2.90 2.20 -1.26 -5.06 119.74 113.12 1b3s s LYS 66 Ca 0.59 0.06 -0.37 0.00 -0.36 0.00 0.00 55.97 55.88 1b3s s LYS 66 Cb -0.11 0.02 -0.15 0.00 -1.51 0.00 0.00 37.83 36.08 1b3s s LYS 66 CO 0.49 -0.01 1.64 0.45 -0.36 0.00 0.00 175.35 177.56 1b3s n SER 67 N 2.01 2.49 0.00 1.43 2.88 -1.26 -0.71 113.62 120.46 1b3s n SER 67 Ca -0.12 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1b3s n SER 67 Cb 0.57 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 1b3s n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1b3s n GLY 68 N 3.69 0.53 3.26 0.46 0.00 -1.26 -5.05 105.19 106.83 1b3s n GLY 68 Ca 0.22 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.77 3.20 0.26 1.61 3.52 0.11 -4.95 118.95 121.94 1b3s s ARG 69 Ca 0.00 -0.77 0.11 0.00 -0.13 0.00 0.00 55.73 54.94 1b3s s ARG 69 Cb 0.00 -2.55 -0.05 0.00 -1.56 0.00 0.00 34.95 30.79 1b3s s ARG 69 CO 0.00 0.07 -0.15 0.95 -0.81 0.00 0.00 175.30 175.36 1b3s s THR 70 N 0.66 2.72 0.10 4.11 -4.23 -1.26 -4.69 115.64 113.05 1b3s s THR 70 Ca -0.09 -2.23 0.08 0.00 -1.18 0.00 0.00 61.69 58.27 1b3s s THR 70 Cb -0.16 -2.42 -0.03 0.00 1.34 0.00 0.00 72.50 71.23 1b3s s THR 70 CO 0.02 -0.36 -0.21 0.26 -0.54 0.00 0.00 174.62 173.80 1b3s s TRP 71 N -2.36 1.76 0.23 3.99 0.52 -1.26 -0.59 118.94 121.23 1b3s s TRP 71 Ca 0.29 -0.42 0.02 0.00 0.02 0.00 0.00 56.10 56.02 1b3s s TRP 71 Cb -0.06 -0.97 -0.05 0.00 -1.15 0.00 0.00 33.47 31.25 1b3s s TRP 71 CO 0.16 0.19 0.03 1.03 0.02 0.00 0.00 176.95 178.38 1b3s s ARG 72 N -1.88 1.31 0.17 4.98 0.52 0.12 0.29 118.95 124.46 1b3s s ARG 72 Ca 0.06 -1.67 -0.00 0.00 -0.52 0.00 0.00 55.73 53.60 1b3s s ARG 72 Cb -0.10 -0.43 -0.04 0.00 0.52 0.00 0.00 34.95 34.90 1b3s s ARG 72 CO 0.04 -0.17 0.06 -1.83 0.02 0.00 0.00 175.30 173.42 1b3s s GLU 73 N -3.93 1.08 -0.06 3.54 -1.05 -0.76 -1.24 118.70 116.29 1b3s s GLU 73 Ca 0.30 -1.54 -0.28 0.00 -0.15 0.00 0.00 54.97 53.31 1b3s s GLU 73 Cb 0.07 0.06 0.06 0.00 -0.44 0.00 0.00 34.13 33.88 1b3s s GLU 73 CO 0.09 -0.26 0.62 0.00 0.95 0.00 0.00 175.26 176.66 1b3s s ALA 74 N -3.94 -1.60 0.17 -0.84 0.00 -0.43 -0.46 121.76 114.68 1b3s s ALA 74 Ca 0.28 1.19 -0.30 0.00 0.00 0.00 0.00 51.96 53.14 1b3s s ALA 74 Cb 0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 23.12 23.05 1b3s s ALA 74 CO 0.06 -0.35 0.99 -0.51 0.00 0.00 0.00 175.76 175.95 1b3s s ASP 75 N -1.10 7.48 0.09 0.00 1.11 0.13 -1.38 116.67 122.99 1b3s s ASP 75 Ca -0.11 1.93 0.07 0.00 0.18 0.00 0.00 52.55 54.63 1b3s s ASP 75 Cb -0.01 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 1b3s s ASP 75 CO 0.08 -0.03 -0.14 -0.63 1.18 0.00 0.00 175.17 175.63 1b3s s ILE 76 N -0.48 3.13 -1.76 0.77 -1.09 -0.29 -4.65 121.20 116.83 1b3s s ILE 76 Ca 0.45 -1.29 0.00 0.00 -2.23 0.00 0.00 60.65 57.59 1b3s s ILE 76 Cb -0.26 -2.42 0.00 0.00 -1.58 0.00 0.00 42.46 38.20 1b3s s ILE 76 CO 0.32 0.17 0.00 0.59 -1.23 0.00 0.00 174.94 174.79 1b3s n ASN 77 N 0.95 -5.19 -4.80 3.58 3.02 -0.22 -4.57 115.26 108.03 1b3s n ASN 77 Ca -0.15 0.41 -0.38 0.00 -0.03 0.00 0.00 54.58 54.43 1b3s n ASN 77 Cb 0.52 -4.15 -0.06 0.00 -0.61 0.00 0.00 39.78 35.48 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 -2.55 3.73 0.00 3.10 5.04 -1.26 -4.97 117.35 120.45 1b3s s TYR 78 Ca 0.00 1.16 0.00 0.00 -2.44 0.00 0.00 57.07 55.79 1b3s s TYR 78 Cb 0.00 -2.49 0.00 0.00 0.35 0.00 0.00 41.96 39.82 1b3s s TYR 78 CO 0.00 0.50 0.00 2.41 -1.34 0.00 0.00 175.55 177.12 1b3s n THR 79 N 2.18 0.00 -3.55 4.34 -1.04 -1.26 -4.90 114.28 110.04 1b3s n THR 79 Ca -0.10 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.84 1b3s n THR 79 Cb 0.51 -1.42 -0.02 0.00 -1.82 0.00 0.00 70.33 67.58 1b3s n THR 79 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1b3s s SER 80 N -4.96 -0.29 0.00 8.00 1.04 -1.26 -4.77 113.70 111.46 1b3s s SER 80 Ca 0.00 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1b3s s SER 80 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1b3s s SER 80 CO 0.00 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1b3s n GLY 81 N -0.24 -0.71 3.76 7.32 0.00 -1.25 -4.87 105.19 109.20 1b3s n GLY 81 Ca -0.06 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 1b3s n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b3s s PHE 82 N 0.00 3.08 0.72 1.61 0.08 -1.26 -4.61 117.98 117.61 1b3s s PHE 82 Ca 0.00 1.34 -0.15 0.00 0.12 0.00 0.00 56.93 58.24 1b3s s PHE 82 Cb 0.00 -3.68 0.04 0.00 -0.57 0.00 0.00 43.02 38.80 1b3s s PHE 82 CO 0.00 -1.94 1.23 1.03 -0.10 0.00 0.00 175.22 175.44 1b3s s ARG 83 N -1.39 2.13 0.00 0.44 0.52 -1.26 -5.03 118.95 114.37 1b3s s ARG 83 Ca 0.51 1.85 0.00 0.00 -0.52 0.00 0.00 55.73 57.58 1b3s s ARG 83 Cb -0.39 -1.82 0.00 0.00 0.52 0.00 0.00 34.95 33.25 1b3s s ARG 83 CO 0.49 -1.86 0.00 0.27 0.02 0.00 0.00 175.30 174.22 1b3s n ASN 84 N -2.62 0.58 -1.36 0.23 0.23 -1.26 -5.04 115.26 106.03 1b3s n ASN 84 Ca 0.14 -0.50 0.11 0.00 -0.53 0.00 0.00 54.58 53.80 1b3s n ASN 84 Cb 0.50 0.00 0.32 0.00 -2.08 0.00 0.00 39.78 38.52 1b3s n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1b3s n SER 85 N -1.22 4.06 -4.64 0.53 3.41 -1.26 -4.94 113.62 109.56 1b3s n SER 85 Ca 0.00 -2.08 -0.38 0.00 -0.26 0.00 0.00 58.87 56.15 1b3s n SER 85 Cb 0.00 -0.50 -0.09 0.00 -0.26 0.00 0.00 64.21 63.37 1b3s n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1b3s s ASP 86 N -0.99 6.23 0.05 4.04 1.01 -1.26 -2.60 116.67 123.15 1b3s s ASP 86 Ca 0.48 0.26 0.03 0.00 0.71 0.00 0.00 52.55 54.03 1b3s s ASP 86 Cb 0.26 -2.17 -0.03 0.00 1.01 0.00 0.00 42.92 42.00 1b3s s ASP 86 CO 0.31 -0.04 -0.10 -0.13 0.21 0.00 0.00 175.17 175.42 1b3s s ARG 87 N 1.43 0.63 -0.08 8.23 1.81 -0.58 -1.14 118.95 129.25 1b3s s ARG 87 Ca 0.13 -0.82 -0.00 0.00 -1.72 0.00 0.00 55.73 53.31 1b3s s ARG 87 Cb -0.15 -0.47 -0.03 0.00 -0.45 0.00 0.00 34.95 33.85 1b3s s ARG 87 CO 0.07 0.10 -0.05 -1.50 -0.68 0.00 0.00 175.30 173.24 1b3s s ILE 88 N -1.33 3.81 -0.11 1.52 2.07 -0.48 -1.18 121.20 125.49 1b3s s ILE 88 Ca -0.07 -0.43 0.03 0.00 -1.41 0.00 0.00 60.65 58.76 1b3s s ILE 88 Cb -0.10 -2.58 -0.00 0.00 0.13 0.00 0.00 42.46 39.91 1b3s s ILE 88 CO 0.01 0.58 -0.20 -0.76 -1.91 0.00 0.00 174.94 172.66 1b3s s LEU 89 N -0.63 2.28 -0.00 8.50 2.01 0.16 -1.32 118.68 129.69 1b3s s LEU 89 Ca 0.10 -0.50 0.01 0.00 0.01 0.00 0.00 54.13 53.75 1b3s s LEU 89 Cb -0.12 -1.47 -0.00 0.00 0.01 0.00 0.00 46.19 44.61 1b3s s LEU 89 CO 0.02 0.15 -0.02 -0.72 1.01 0.00 0.00 176.35 176.78 1b3s s TYR 90 N 0.41 0.22 0.42 0.29 1.13 -0.38 -0.65 117.35 118.79 1b3s s TYR 90 Ca -0.15 -0.06 0.08 0.00 -1.41 0.00 0.00 57.07 55.53 1b3s s TYR 90 Cb -0.17 -0.14 0.01 0.00 -1.10 0.00 0.00 41.96 40.55 1b3s s TYR 90 CO 0.07 -0.01 0.55 -1.54 -2.51 0.00 0.00 175.55 172.11 1b3s s SER 91 N -0.10 5.62 0.49 -0.18 1.04 -0.89 0.16 113.70 119.84 1b3s s SER 91 Ca 0.00 -0.44 0.17 0.00 0.48 0.00 0.00 55.95 56.17 1b3s s SER 91 Cb -0.01 -0.67 1.19 0.00 0.10 0.00 0.00 66.02 66.63 1b3s s SER 91 CO -0.00 -0.74 2.07 0.77 0.98 0.00 0.00 173.24 176.31 1b3s h SER 92 N 0.67 0.00 -0.81 7.02 4.64 -1.21 -1.09 113.55 122.78 1b3s h SER 92 Ca -0.40 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.59 1b3s h SER 92 Cb 1.28 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.17 1b3s h SER 92 CO 0.46 0.11 0.42 -0.90 -0.87 0.00 0.00 176.83 176.05 1b3s n ASP 93 N -4.30 4.29 -3.07 4.97 5.75 -1.26 -4.94 116.55 118.00 1b3s n ASP 93 Ca -0.03 -3.31 -0.21 0.00 -0.01 0.00 0.00 54.79 51.23 1b3s n ASP 93 Cb 0.18 -0.77 0.01 0.00 -1.03 0.00 0.00 41.12 39.51 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 -0.52 -1.76 -2.49 2.11 7.02 -0.41 -5.00 117.44 116.39 1b3s n TRP 94 Ca 0.47 0.40 -0.40 0.00 -1.02 0.00 0.00 57.50 56.94 1b3s n TRP 94 Cb 1.46 -3.49 -0.04 0.00 -2.42 0.00 0.00 31.31 26.83 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 -6.40 4.55 -0.12 -0.99 1.43 -1.26 -4.83 118.68 111.05 1b3s s LEU 95 Ca 0.29 2.24 0.02 0.00 -1.03 0.00 0.00 54.13 55.65 1b3s s LEU 95 Cb -0.14 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.47 1b3s s LEU 95 CO 0.36 -0.14 -0.18 -0.63 0.23 0.00 0.00 176.35 175.99 1b3s s ILE 96 N -1.06 1.71 0.17 -0.59 -1.09 -1.26 -2.10 121.20 116.97 1b3s s ILE 96 Ca 0.45 -0.77 0.06 0.00 -2.23 0.00 0.00 60.65 58.16 1b3s s ILE 96 Cb -0.32 -1.54 -0.04 0.00 -1.58 0.00 0.00 42.46 38.98 1b3s s ILE 96 CO 0.40 0.48 -0.12 -0.31 -1.23 0.00 0.00 174.94 174.16 1b3s s TYR 97 N 0.94 1.44 0.13 3.97 1.51 0.18 -1.44 117.35 124.08 1b3s s TYR 97 Ca -0.06 -0.67 0.00 0.00 -1.01 0.00 0.00 57.07 55.33 1b3s s TYR 97 Cb -0.15 -0.70 -0.04 0.00 -0.11 0.00 0.00 41.96 40.95 1b3s s TYR 97 CO -0.02 0.19 0.01 -1.59 -1.11 0.00 0.00 175.55 173.03 1b3s s LYS 98 N -3.62 0.94 -0.00 -0.62 -2.85 0.17 0.40 119.74 114.16 1b3s s LYS 98 Ca 0.18 -1.44 -0.01 0.00 -1.00 0.00 0.00 55.97 53.71 1b3s s LYS 98 Cb 0.01 0.01 -0.00 0.00 -2.06 0.00 0.00 37.83 35.78 1b3s s LYS 98 CO 0.03 -0.17 0.02 -0.08 0.10 0.00 0.00 175.35 175.25 1b3s s THR 99 N -3.85 0.02 0.00 3.79 -1.32 -0.33 -0.41 115.64 113.55 1b3s s THR 99 Ca 0.21 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 1b3s s THR 99 Cb 0.07 -0.10 0.00 0.00 -1.51 0.00 0.00 72.50 70.96 1b3s s THR 99 CO 0.00 -0.11 0.67 0.35 -2.21 0.00 0.00 174.62 173.32 1b3s n THR 100 N 2.73 0.39 -2.31 5.08 -2.24 -1.26 -1.52 114.28 115.16 1b3s n THR 100 Ca -0.15 -0.65 -0.21 0.00 -2.27 0.00 0.00 64.05 60.77 1b3s n THR 100 Cb 0.59 0.86 0.02 0.00 -2.10 0.00 0.00 70.33 69.70 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 4.23 -3.79 3.42 5.68 -1.24 -4.64 116.55 120.01 1b3s n ASP 101 Ca 0.00 -3.47 -0.32 0.00 -0.50 0.00 0.00 54.79 50.50 1b3s n ASP 101 Cb 0.13 -0.41 0.03 0.00 -1.14 0.00 0.00 41.12 39.73 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 -0.58 -2.43 -1.03 2.12 0.00 -1.07 -2.55 120.51 114.97 1b3s n ALA 102 Ca 0.36 -0.29 -0.01 0.00 0.00 0.00 0.00 53.44 53.50 1b3s n ALA 102 Cb 0.84 -3.33 -0.00 0.00 0.00 0.00 0.00 19.45 16.95 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 -4.35 0.00 -0.03 0.00 4.01 -1.26 -4.89 117.16 110.65 1b3s n TYR 103 Ca -0.15 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.46 1b3s n TYR 103 Cb 0.61 -1.45 -0.09 0.00 -0.31 0.00 0.00 39.34 38.10 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 0.29 0.13 -5.22 -0.72 4.20 -1.92 -3.45 115.11 108.43 1b3s h GLN 104 Ca -0.02 -0.07 -0.39 0.00 0.06 0.00 0.00 58.65 58.23 1b3s h GLN 104 Cb 0.70 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 28.27 1b3s h GLN 104 CO 0.03 0.59 -0.77 0.95 -0.67 0.00 0.00 178.83 178.96 1b3s s THR 105 N -4.24 1.02 -0.02 -0.54 -4.23 -1.26 -5.12 115.64 101.25 1b3s s THR 105 Ca -0.15 -1.26 0.07 0.00 -1.18 0.00 0.00 61.69 59.16 1b3s s THR 105 Cb 0.03 -0.99 -0.02 0.00 1.34 0.00 0.00 72.50 72.86 1b3s s THR 105 CO 0.70 -0.25 -0.22 -0.36 -0.54 0.00 0.00 174.62 173.96 1b3s s PHE 106 N -1.28 1.94 -0.08 3.99 0.40 -1.26 -4.39 117.98 117.30 1b3s s PHE 106 Ca -0.03 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 55.95 1b3s s PHE 106 Cb -0.10 -1.25 -0.01 0.00 0.51 0.00 0.00 43.02 42.16 1b3s s PHE 106 CO 0.02 -0.05 -0.19 0.99 0.70 0.00 0.00 175.22 176.69 1b3s s THR 107 N -0.47 2.53 0.03 0.64 2.01 0.45 -4.91 115.64 115.92 1b3s s THR 107 Ca 0.07 -0.88 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 1b3s s THR 107 Cb -0.09 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 1b3s s THR 107 CO -0.01 0.56 1.22 -0.75 -0.69 0.00 0.00 174.62 174.95 1b3s s LYS 108 N -0.06 4.40 0.00 4.92 2.20 -1.26 -0.66 119.74 129.28 1b3s s LYS 108 Ca -0.05 1.77 0.00 0.00 -0.36 0.00 0.00 55.97 57.33 1b3s s LYS 108 Cb -0.14 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1b3s s LYS 108 CO 0.04 -0.33 0.38 0.44 -0.36 0.00 0.00 175.35 175.53 1b3s n ILE 109 N 4.14 0.00 -0.88 5.43 -5.35 -0.52 -4.95 119.36 117.24 1b3s n ILE 109 Ca 0.10 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1b3s n ILE 109 Cb 0.46 1.22 0.00 0.00 -1.74 0.00 0.00 39.64 39.58 1b3s n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33