#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1u n GLN 2 N 0.00 -0.84 -2.83 0.00 -0.06 -1.26 -4.93 117.38 107.46 1x1u n GLN 2 Ca 0.00 0.99 -0.40 0.00 -2.00 0.00 0.00 57.00 55.58 1x1u n GLN 2 Cb 0.00 -0.82 -0.05 0.00 -4.06 0.00 0.00 30.24 25.31 1x1u n GLN 2 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1x1u s VAL 3 N -0.36 4.51 -0.37 1.69 1.01 -1.26 -4.98 120.40 120.64 1x1u s VAL 3 Ca 0.00 1.91 -0.07 0.00 0.00 0.00 0.00 61.98 63.83 1x1u s VAL 3 Cb 0.00 -4.25 0.06 0.00 0.00 0.00 0.00 36.38 32.19 1x1u s VAL 3 CO 0.00 0.37 0.15 -0.63 0.00 0.00 0.00 175.10 174.99 1x1u s ILE 4 N -0.25 3.81 0.00 2.22 -1.09 -1.26 -4.92 121.20 119.71 1x1u s ILE 4 Ca 0.43 -1.32 0.12 0.00 -2.23 0.00 0.00 60.65 57.65 1x1u s ILE 4 Cb -0.23 -3.25 0.20 0.00 -1.58 0.00 0.00 42.46 37.60 1x1u s ILE 4 CO 0.28 -0.32 1.05 -0.46 -1.23 0.00 0.00 174.94 174.26 1x1u n ASN 5 N 4.81 0.40 -4.92 3.58 6.94 -1.26 -4.80 115.26 120.00 1x1u n ASN 5 Ca -0.11 -1.95 -0.22 0.00 -0.02 0.00 0.00 54.58 52.29 1x1u n ASN 5 Cb 0.44 -0.21 -0.03 0.00 -2.36 0.00 0.00 39.78 37.62 1x1u n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1x1u s THR 6 N 0.00 5.05 0.18 5.53 -4.23 -1.26 0.06 115.64 120.96 1x1u s THR 6 Ca 0.16 -1.04 -0.15 0.00 -1.18 0.00 0.00 61.69 59.48 1x1u s THR 6 Cb 0.18 -3.71 0.10 0.00 1.34 0.00 0.00 72.50 70.41 1x1u s THR 6 CO -0.08 -0.29 1.69 -0.26 -0.54 0.00 0.00 174.62 175.15 1x1u h PHE 7 N 1.45 -0.01 -0.03 3.99 0.04 -1.98 -1.80 116.94 118.59 1x1u h PHE 7 Ca -0.50 0.03 -0.22 0.00 2.80 0.00 0.00 57.97 60.08 1x1u h PHE 7 Cb 1.23 0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.45 1x1u h PHE 7 CO 0.49 -0.08 -0.88 -0.44 -0.60 0.00 0.00 178.31 176.80 1x1u h ASP 8 N 0.12 0.57 -0.53 2.17 3.32 -1.98 -1.83 116.42 118.26 1x1u h ASP 8 Ca 0.22 -0.43 -0.08 0.00 0.02 0.00 0.00 57.03 56.76 1x1u h ASP 8 Cb 0.32 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1x1u h ASP 8 CO -0.36 1.21 0.02 1.23 -1.72 0.00 0.00 179.24 179.62 1x1u h GLY 9 N 1.16 1.00 0.92 2.75 0.00 -1.93 -1.13 103.07 105.83 1x1u h GLY 9 Ca -0.07 -0.72 -0.15 0.00 0.00 0.00 0.00 47.33 46.39 1x1u h GLY 9 CO 0.16 0.67 -0.48 -2.08 0.00 0.00 0.00 176.54 174.80 1x1u h VAL 10 N 0.81 1.34 0.11 4.60 2.07 -1.38 -2.22 116.25 121.57 1x1u h VAL 10 Ca 0.15 -1.76 0.01 0.00 0.82 0.00 0.00 66.70 65.92 1x1u h VAL 10 Cb 0.51 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1x1u h VAL 10 CO 0.02 0.54 -0.12 0.00 0.02 0.00 0.00 177.57 178.03 1x1u h ALA 11 N 0.53 -0.23 -0.79 1.67 0.00 -1.29 0.25 119.26 119.40 1x1u h ALA 11 Ca -0.02 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.98 1x1u h ALA 11 Cb 1.11 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 1x1u h ALA 11 CO 0.10 -0.65 0.41 -0.44 0.00 0.00 0.00 179.25 178.67 1x1u h ASP 12 N -0.26 0.53 -0.48 0.00 3.32 -1.24 -0.94 116.42 117.34 1x1u h ASP 12 Ca 0.01 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1x1u h ASP 12 Cb 0.26 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1x1u h ASP 12 CO -0.05 0.27 0.03 0.22 -1.72 0.00 0.00 179.24 178.00 1x1u h TYR 13 N 0.65 0.89 -0.67 4.55 5.03 -0.73 0.56 116.97 127.25 1x1u h TYR 13 Ca 0.40 -0.14 -0.04 0.00 2.58 0.00 0.00 58.73 61.53 1x1u h TYR 13 Cb 0.47 -0.24 -0.03 0.00 1.55 0.00 0.00 36.73 38.49 1x1u h TYR 13 CO -0.09 0.84 0.27 -0.07 -1.32 0.00 0.00 178.16 177.79 1x1u h LEU 14 N 0.68 0.90 -0.04 2.82 3.38 0.31 0.58 115.31 123.95 1x1u h LEU 14 Ca 0.14 -0.12 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 1x1u h LEU 14 Cb 0.46 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1x1u h LEU 14 CO 0.02 0.80 -1.02 1.56 0.09 0.00 0.00 178.44 179.90 1x1u h GLN 15 N 0.97 0.07 0.08 1.13 4.20 -1.05 0.85 115.11 121.37 1x1u h GLN 15 Ca 0.23 -0.11 -0.30 0.00 0.06 0.00 0.00 58.65 58.53 1x1u h GLN 15 Cb 0.18 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1x1u h GLN 15 CO -0.02 1.02 -1.54 1.15 -0.67 0.00 0.00 178.83 178.77 1x1u h THR 16 N 0.02 1.12 -0.00 -0.54 2.02 -0.71 -3.39 112.91 111.43 1x1u h THR 16 Ca -0.04 -2.81 0.00 0.00 0.77 0.00 0.00 66.41 64.33 1x1u h THR 16 Cb 1.75 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 70.85 1x1u h THR 16 CO 0.14 0.78 -0.01 -1.22 0.37 0.00 0.00 175.52 175.59 1x1u n TYR 17 N -3.37 0.00 -3.68 3.16 4.01 0.18 -5.03 117.16 112.43 1x1u n TYR 17 Ca -0.16 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.37 1x1u n TYR 17 Cb 1.03 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 40.10 1x1u n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1x1u n HIS 18 N -0.43 -1.99 -3.62 -0.72 8.25 0.29 -4.97 115.22 112.04 1x1u n HIS 18 Ca 0.00 0.86 -0.04 0.00 -0.26 0.00 0.00 57.72 58.29 1x1u n HIS 18 Cb 0.01 -4.46 -0.02 0.00 1.12 0.00 0.00 29.99 26.64 1x1u n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1x1u s LYS 19 N -5.96 0.19 0.66 -0.41 -2.85 -1.25 -5.05 119.74 105.08 1x1u s LYS 19 Ca 0.06 -0.06 -0.12 0.00 -1.00 0.00 0.00 55.97 54.85 1x1u s LYS 19 Cb -0.03 0.09 -0.01 0.00 -2.06 0.00 0.00 37.83 35.82 1x1u s LYS 19 CO 0.80 -0.08 1.05 -0.51 0.10 0.00 0.00 175.35 176.71 1x1u s LEU 20 N -2.03 3.22 1.03 2.77 1.43 -1.26 -3.94 118.68 119.90 1x1u s LEU 20 Ca 0.10 1.63 -0.12 0.00 -1.03 0.00 0.00 54.13 54.71 1x1u s LEU 20 Cb -0.01 -4.50 0.21 0.00 0.03 0.00 0.00 46.19 41.92 1x1u s LEU 20 CO -0.04 -1.31 1.08 -2.84 0.23 0.00 0.00 176.35 173.47 1x1u s PRO 21 N -4.87 0.13 0.41 1.29 0.02 -1.26 -4.88 135.00 125.84 1x1u s PRO 21 Ca 0.59 1.08 0.29 0.00 0.02 0.00 0.00 61.00 62.97 1x1u s PRO 21 Cb -0.14 -1.66 1.41 0.00 0.02 0.00 0.00 34.50 34.14 1x1u s PRO 21 CO 0.51 -3.09 1.88 -0.44 -0.33 0.00 0.00 177.00 175.53 1x1u h ASP 22 N -2.18 0.00 -0.10 2.53 3.45 -1.95 -3.06 116.42 115.11 1x1u h ASP 22 Ca -0.53 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.93 1x1u h ASP 22 Cb 1.30 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.07 1x1u h ASP 22 CO 0.48 0.00 0.00 -0.46 -1.57 0.00 0.00 179.24 177.69 1x1u n ASN 23 N -2.56 1.76 -4.44 6.45 0.23 -1.26 -4.84 115.26 110.60 1x1u n ASN 23 Ca -0.00 -2.15 -0.31 0.00 -0.53 0.00 0.00 54.58 51.58 1x1u n ASN 23 Cb 0.14 -0.52 -0.13 0.00 -2.08 0.00 0.00 39.78 37.19 1x1u n ASN 23 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 1x1u s TYR 24 N -1.31 2.55 -0.05 -2.53 2.02 -1.16 -1.35 117.35 115.52 1x1u s TYR 24 Ca 0.09 -0.27 -0.08 0.00 -0.37 0.00 0.00 57.07 56.45 1x1u s TYR 24 Cb 0.07 -1.50 0.01 0.00 -0.40 0.00 0.00 41.96 40.15 1x1u s TYR 24 CO 0.03 0.20 0.20 0.96 -1.57 0.00 0.00 175.55 175.36 1x1u s ILE 25 N -0.84 0.03 0.96 2.71 -4.36 -0.49 -4.92 121.20 114.30 1x1u s ILE 25 Ca 0.13 -0.25 -0.12 0.00 -0.26 0.00 0.00 60.65 60.15 1x1u s ILE 25 Cb -0.10 -0.37 0.17 0.00 1.25 0.00 0.00 42.46 43.41 1x1u s ILE 25 CO 0.03 -0.14 1.09 0.42 0.24 0.00 0.00 174.94 176.59 1x1u s THR 26 N -0.48 2.26 0.22 8.37 -4.23 -1.20 -1.70 115.64 118.90 1x1u s THR 26 Ca -0.06 0.09 -0.07 0.00 -1.18 0.00 0.00 61.69 60.46 1x1u s THR 26 Cb -0.04 -2.58 0.19 0.00 1.34 0.00 0.00 72.50 71.42 1x1u s THR 26 CO 0.01 -0.11 1.84 0.11 -0.54 0.00 0.00 174.62 175.93 1x1u h LYS 27 N -1.78 1.22 -0.56 3.99 1.57 -1.97 -0.52 116.57 118.52 1x1u h LYS 27 Ca -0.53 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.06 1x1u h LYS 27 Cb 1.31 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 1x1u h LYS 27 CO 0.57 0.90 0.18 1.03 -0.57 0.00 0.00 179.45 181.56 1x1u h SER 28 N 1.21 0.81 -0.02 0.86 0.87 -1.99 -1.00 113.55 114.30 1x1u h SER 28 Ca 0.30 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1x1u h SER 28 Cb 0.04 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.79 1x1u h SER 28 CO -0.05 0.80 0.00 -0.33 -0.53 0.00 0.00 176.83 176.72 1x1u h GLU 29 N 0.78 0.03 -0.61 2.24 5.08 -1.84 -0.11 114.58 120.16 1x1u h GLU 29 Ca 0.18 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.64 1x1u h GLU 29 Cb 0.27 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.43 1x1u h GLU 29 CO -0.01 0.30 0.17 0.00 -1.00 0.00 0.00 179.01 178.47 1x1u h ALA 30 N 0.74 0.75 -0.69 3.43 0.00 -1.00 0.13 119.26 122.62 1x1u h ALA 30 Ca 0.01 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1x1u h ALA 30 Cb 0.28 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1x1u h ALA 30 CO 0.00 -0.26 0.28 0.37 0.00 0.00 0.00 179.25 179.64 1x1u h GLN 31 N 0.32 1.01 0.00 0.00 4.15 -0.99 -0.19 115.11 119.40 1x1u h GLN 31 Ca 0.32 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1x1u h GLN 31 Cb 0.44 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.96 1x1u h GLN 31 CO -0.37 0.81 0.00 0.00 -1.93 0.00 0.00 178.83 177.35 1x1u h ALA 32 N 1.32 1.00 -0.40 3.38 0.00 0.12 0.15 119.26 124.83 1x1u h ALA 32 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1x1u h ALA 32 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1x1u h ALA 32 CO -0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.51 1x1u n LEU 33 N -3.05 3.36 0.00 0.00 4.77 -0.30 -4.93 117.00 116.84 1x1u n LEU 33 Ca -0.02 -1.46 0.00 0.00 -0.03 0.00 0.00 56.01 54.50 1x1u n LEU 33 Cb 0.15 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1x1u n LEU 33 CO 0.22 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 1x1u n GLY 34 N 1.49 0.95 3.75 -0.72 0.00 0.54 -4.86 105.19 106.34 1x1u n GLY 34 Ca 0.20 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1x1u n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1x1u s TRP 35 N -2.00 3.28 -0.33 1.61 -0.00 -0.24 -4.96 118.94 116.31 1x1u s TRP 35 Ca 0.00 1.38 -0.01 0.00 -0.00 0.00 0.00 56.10 57.47 1x1u s TRP 35 Cb 0.00 -3.54 0.11 0.00 -0.00 0.00 0.00 33.47 30.03 1x1u s TRP 35 CO 0.00 -1.55 0.13 0.08 -0.00 0.00 0.00 176.95 175.61 1x1u s VAL 36 N -0.46 0.69 0.24 5.86 1.01 -1.26 -4.43 120.40 122.04 1x1u s VAL 36 Ca 0.52 -1.46 -0.11 0.00 0.00 0.00 0.00 61.98 60.93 1x1u s VAL 36 Cb -0.36 -1.52 0.34 0.00 0.00 0.00 0.00 36.38 34.84 1x1u s VAL 36 CO 0.42 -0.75 1.42 0.00 0.00 0.00 0.00 175.10 176.20 1x1u n ALA 37 N 4.67 0.09 0.29 5.51 0.00 -1.26 0.65 120.51 130.46 1x1u n ALA 37 Ca 0.00 0.97 0.19 0.00 0.00 0.00 0.00 53.44 54.60 1x1u n ALA 37 Cb 0.40 -0.53 0.99 0.00 0.00 0.00 0.00 19.45 20.32 1x1u n ALA 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1x1u h SER 38 N 0.00 0.00 0.74 0.00 4.64 -2.02 -0.15 113.55 116.76 1x1u h SER 38 Ca 0.39 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.65 1x1u h SER 38 Cb 0.62 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1x1u h SER 38 CO -0.93 0.00 -1.30 0.29 -0.87 0.00 0.00 176.83 174.02 1x1u n LYS 39 N -2.83 0.62 -3.46 4.77 4.76 0.21 -4.97 118.16 117.25 1x1u n LYS 39 Ca -0.02 0.11 -0.22 0.00 -2.87 0.00 0.00 58.31 55.30 1x1u n LYS 39 Cb 0.08 -1.77 0.07 0.00 -1.84 0.00 0.00 35.03 31.57 1x1u n LYS 39 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x1u n GLY 40 N 1.27 -0.45 1.60 0.72 0.00 -0.07 -4.92 105.19 103.35 1x1u n GLY 40 Ca -0.04 0.18 0.04 0.00 0.00 0.00 0.00 46.02 46.20 1x1u n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x1u n ASN 41 N -2.67 4.84 -0.17 1.61 6.94 -1.26 -3.79 115.26 120.77 1x1u n ASN 41 Ca -0.00 -3.07 -0.02 0.00 -0.02 0.00 0.00 54.58 51.47 1x1u n ASN 41 Cb 0.56 -0.66 0.08 0.00 -2.36 0.00 0.00 39.78 37.40 1x1u n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1x1u h LEU 42 N 2.90 -0.04 -1.39 -4.53 5.85 -1.89 -1.30 115.31 114.90 1x1u h LEU 42 Ca 0.08 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 1x1u h LEU 42 Cb 1.91 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 43.08 1x1u h LEU 42 CO 0.47 0.00 -0.18 0.00 -0.34 0.00 0.00 178.44 178.39 1x1u h ALA 43 N 1.42 1.50 -0.20 1.25 0.00 -1.84 0.39 119.26 121.78 1x1u h ALA 43 Ca 0.27 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1x1u h ALA 43 Cb 0.38 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1x1u h ALA 43 CO -0.36 0.36 -0.04 -0.44 0.00 0.00 0.00 179.25 178.76 1x1u h ASP 44 N 0.16 0.38 1.07 0.00 3.45 -1.61 -2.33 116.42 117.54 1x1u h ASP 44 Ca 0.03 -0.36 -0.06 0.00 0.43 0.00 0.00 57.03 57.07 1x1u h ASP 44 Cb 0.43 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.09 1x1u h ASP 44 CO 0.03 0.65 -0.97 -0.37 -1.57 0.00 0.00 179.24 177.01 1x1u h VAL 45 N 0.10 0.21 -1.92 -1.35 -1.51 -1.23 -3.41 116.25 107.14 1x1u h VAL 45 Ca 0.05 -1.38 -0.51 0.00 -1.23 0.00 0.00 66.70 63.63 1x1u h VAL 45 Cb 0.48 1.78 -0.35 0.00 -2.13 0.00 0.00 31.29 31.08 1x1u h VAL 45 CO 0.02 0.12 -0.96 0.00 -1.23 0.00 0.00 177.57 175.52 1x1u n ALA 46 N -2.24 1.97 -1.62 5.19 0.00 0.13 -4.96 120.51 118.98 1x1u n ALA 46 Ca -0.02 -2.92 -0.48 0.00 0.00 0.00 0.00 53.44 50.02 1x1u n ALA 46 Cb 0.65 -0.88 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 1x1u n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1x1u n PRO 47 N 2.17 1.60 -0.88 0.00 -0.02 -0.88 -1.62 135.00 135.38 1x1u n PRO 47 Ca 0.24 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1x1u n PRO 47 Cb 0.52 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1x1u n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x1u n GLY 48 N 2.49 0.69 3.93 -1.23 0.00 -1.26 -5.01 105.19 104.81 1x1u n GLY 48 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1x1u n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x1u s LYS 49 N -0.30 3.51 0.03 1.61 -0.14 -0.64 -4.79 119.74 119.02 1x1u s LYS 49 Ca 0.00 -0.29 0.00 0.00 -1.36 0.00 0.00 55.97 54.32 1x1u s LYS 49 Cb 0.00 -2.70 -0.02 0.00 -1.68 0.00 0.00 37.83 33.43 1x1u s LYS 49 CO 0.00 0.22 -0.04 -1.12 -0.76 0.00 0.00 175.35 173.65 1x1u s SER 50 N -3.72 0.35 0.15 2.83 0.01 -0.46 -4.80 113.70 108.05 1x1u s SER 50 Ca 0.40 -0.54 -0.30 0.00 1.31 0.00 0.00 55.95 56.82 1x1u s SER 50 Cb -0.10 0.10 -0.07 0.00 0.21 0.00 0.00 66.02 66.16 1x1u s SER 50 CO 0.33 -0.30 1.13 -0.63 0.41 0.00 0.00 173.24 174.18 1x1u s ILE 51 N -1.59 3.90 -0.25 1.44 1.09 -1.26 -1.39 121.20 123.14 1x1u s ILE 51 Ca -0.14 1.56 -0.32 0.00 -1.10 0.00 0.00 60.65 60.65 1x1u s ILE 51 Cb -0.09 -4.00 0.17 0.00 -1.06 0.00 0.00 42.46 37.48 1x1u s ILE 51 CO -0.01 0.23 1.29 -0.83 -0.10 0.00 0.00 174.94 175.52 1x1u s GLY 52 N 0.21 -0.07 0.00 6.18 0.00 -0.69 -0.57 107.32 112.38 1x1u s GLY 52 Ca 0.52 2.35 0.00 0.00 0.00 0.00 0.00 44.72 47.59 1x1u s GLY 52 CO 0.34 0.91 0.00 0.61 0.00 0.00 0.00 173.10 174.96 1x1u n GLY 53 N 0.34 1.95 3.76 0.20 0.00 0.64 -3.21 105.19 108.87 1x1u n GLY 53 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1x1u n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x1u s ASP 54 N -1.59 5.05 0.35 1.61 1.01 -1.24 -4.74 116.67 117.12 1x1u s ASP 54 Ca 0.00 2.12 -0.28 0.00 0.71 0.00 0.00 52.55 55.10 1x1u s ASP 54 Cb 0.00 -2.57 -0.11 0.00 1.01 0.00 0.00 42.92 41.26 1x1u s ASP 54 CO 0.00 -1.68 1.44 -0.63 0.21 0.00 0.00 175.17 174.51 1x1u s ILE 55 N -2.13 2.27 -0.28 0.77 1.09 -1.26 -1.86 121.20 119.81 1x1u s ILE 55 Ca 0.70 0.26 -0.06 0.00 -1.10 0.00 0.00 60.65 60.45 1x1u s ILE 55 Cb -0.23 -3.17 0.00 0.00 -1.06 0.00 0.00 42.46 38.00 1x1u s ILE 55 CO 0.39 0.06 0.05 0.12 -0.10 0.00 0.00 174.94 175.46 1x1u s PHE 56 N -0.99 3.11 -2.00 3.97 5.36 0.27 -4.73 117.98 122.98 1x1u s PHE 56 Ca 0.53 -0.97 0.29 0.00 -0.96 0.00 0.00 56.93 55.82 1x1u s PHE 56 Cb -0.44 -2.21 1.76 0.00 -0.34 0.00 0.00 43.02 41.78 1x1u s PHE 56 CO 0.58 -0.56 2.12 0.43 -1.46 0.00 0.00 175.22 176.33 1x1u n SER 57 N 4.84 0.00 -4.04 6.13 7.64 -1.26 -3.98 113.62 122.95 1x1u n SER 57 Ca -0.15 -1.03 -0.40 0.00 1.01 0.00 0.00 58.87 58.30 1x1u n SER 57 Cb 0.49 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.70 1x1u n SER 57 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x1u n ASN 58 N -0.97 -3.25 0.23 6.43 5.15 -1.26 -4.80 115.26 116.79 1x1u n ASN 58 Ca 0.22 -1.12 0.16 0.00 -0.60 0.00 0.00 54.58 53.24 1x1u n ASN 58 Cb 0.10 -1.34 0.70 0.00 -0.53 0.00 0.00 39.78 38.71 1x1u n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1x1u h ARG 59 N -1.80 0.00 -0.01 1.20 3.08 -2.00 -2.35 114.38 112.50 1x1u h ARG 59 Ca -0.61 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.44 1x1u h ARG 59 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1x1u h ARG 59 CO 0.45 0.00 -0.69 0.39 -1.07 0.00 0.00 179.97 179.05 1x1u n GLU 60 N -2.73 0.49 -1.13 0.04 -0.58 -1.26 -4.96 120.64 110.52 1x1u n GLU 60 Ca 0.00 -0.39 -0.04 0.00 -0.42 0.00 0.00 57.16 56.31 1x1u n GLU 60 Cb 0.21 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.57 1x1u n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x1u n GLY 61 N 1.46 0.67 0.20 0.62 0.00 -0.89 -4.90 105.19 102.36 1x1u n GLY 61 Ca 0.07 -0.30 0.06 0.00 0.00 0.00 0.00 46.02 45.85 1x1u n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x1u h LYS 62 N 0.29 0.00 -6.46 1.61 1.57 -1.93 -3.43 116.57 108.22 1x1u h LYS 62 Ca -0.09 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.16 1x1u h LYS 62 Cb 0.52 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 1x1u h LYS 62 CO 0.13 0.33 -0.06 -0.51 -0.57 0.00 0.00 179.45 178.78 1x1u s LEU 63 N -7.37 4.20 -0.09 2.94 1.43 -1.26 -5.00 118.68 113.53 1x1u s LEU 63 Ca -0.01 1.05 -0.29 0.00 -1.03 0.00 0.00 54.13 53.85 1x1u s LEU 63 Cb 0.12 -3.64 -0.06 0.00 0.03 0.00 0.00 46.19 42.65 1x1u s LEU 63 CO 0.68 -0.04 1.88 -2.16 0.23 0.00 0.00 176.35 176.94 1x1u s PRO 64 N -2.57 3.86 0.31 1.29 0.04 -1.26 -4.99 135.00 131.68 1x1u s PRO 64 Ca 0.46 2.20 -0.05 0.00 0.04 0.00 0.00 61.00 63.64 1x1u s PRO 64 Cb -0.12 -4.15 -0.05 0.00 0.04 0.00 0.00 34.50 30.22 1x1u s PRO 64 CO 0.20 -1.25 0.59 0.20 0.04 0.00 0.00 177.00 176.77 1x1u s GLY 65 N 5.00 1.82 -0.28 0.56 0.00 -1.26 -5.10 107.32 108.06 1x1u s GLY 65 Ca 0.84 -0.54 -0.24 0.00 0.00 0.00 0.00 44.72 44.79 1x1u s GLY 65 CO 0.35 -0.42 0.99 1.25 0.00 0.00 0.00 173.10 175.27 1x1u s LYS 66 N -3.68 0.53 0.15 2.90 2.20 -1.26 -5.08 119.74 115.49 1x1u s LYS 66 Ca 0.45 0.66 -0.34 0.00 -0.36 0.00 0.00 55.97 56.37 1x1u s LYS 66 Cb -0.11 0.24 -0.14 0.00 -1.51 0.00 0.00 37.83 36.31 1x1u s LYS 66 CO 0.31 -0.07 1.54 0.43 -0.36 0.00 0.00 175.35 177.20 1x1u n SER 67 N 2.46 2.85 0.00 1.43 7.64 -1.26 -0.82 113.62 125.93 1x1u n SER 67 Ca -0.13 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.83 1x1u n SER 67 Cb 0.56 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 1x1u n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1u n GLY 68 N 3.27 2.34 3.65 0.23 0.00 -1.26 -5.02 105.19 108.40 1x1u n GLY 68 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1x1u n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x1u s ARG 69 N -0.50 4.16 -0.03 1.61 3.52 0.00 -4.95 118.95 122.76 1x1u s ARG 69 Ca 0.00 0.40 0.05 0.00 -0.13 0.00 0.00 55.73 56.05 1x1u s ARG 69 Cb 0.00 -3.58 -0.03 0.00 -1.56 0.00 0.00 34.95 29.78 1x1u s ARG 69 CO 0.00 -0.20 -0.16 0.95 -0.81 0.00 0.00 175.30 175.08 1x1u s THR 70 N 1.82 2.94 0.13 4.11 -4.23 -1.26 -4.69 115.64 114.45 1x1u s THR 70 Ca 0.24 -0.83 0.04 0.00 -1.18 0.00 0.00 61.69 59.96 1x1u s THR 70 Cb -0.15 -2.15 -0.04 0.00 1.34 0.00 0.00 72.50 71.49 1x1u s THR 70 CO 0.09 0.55 0.13 0.26 -0.54 0.00 0.00 174.62 175.12 1x1u s TRP 71 N -0.75 3.21 0.05 3.99 0.52 -1.26 -1.45 118.94 123.26 1x1u s TRP 71 Ca 0.12 0.04 -0.00 0.00 0.02 0.00 0.00 56.10 56.28 1x1u s TRP 71 Cb -0.11 -1.58 -0.04 0.00 -1.15 0.00 0.00 33.47 30.60 1x1u s TRP 71 CO 0.01 0.52 -0.04 1.03 0.02 0.00 0.00 176.95 178.50 1x1u s ARG 72 N -2.83 0.61 0.15 4.98 0.52 -0.21 0.95 118.95 123.12 1x1u s ARG 72 Ca 0.31 -1.15 0.03 0.00 -0.52 0.00 0.00 55.73 54.40 1x1u s ARG 72 Cb -0.11 0.11 -0.04 0.00 0.52 0.00 0.00 34.95 35.42 1x1u s ARG 72 CO 0.24 -0.08 -0.05 -1.83 0.02 0.00 0.00 175.30 173.59 1x1u s GLU 73 N -3.52 1.03 -0.06 3.54 -1.05 -0.78 -1.54 118.70 116.33 1x1u s GLU 73 Ca 0.04 -1.46 -0.18 0.00 -0.15 0.00 0.00 54.97 53.22 1x1u s GLU 73 Cb 0.05 -0.38 0.04 0.00 -0.44 0.00 0.00 34.13 33.39 1x1u s GLU 73 CO -0.08 -0.03 0.43 0.00 0.95 0.00 0.00 175.26 176.53 1x1u s ALA 74 N -3.53 -1.08 0.19 -0.84 0.00 -0.51 -0.26 121.76 115.74 1x1u s ALA 74 Ca 0.18 0.79 -0.30 0.00 0.00 0.00 0.00 51.96 52.64 1x1u s ALA 74 Cb 0.05 -0.16 -0.08 0.00 0.00 0.00 0.00 23.12 22.92 1x1u s ALA 74 CO 0.01 -0.27 1.22 -0.51 0.00 0.00 0.00 175.76 176.20 1x1u s ASP 75 N -0.87 7.05 0.07 0.00 1.11 0.26 0.08 116.67 124.37 1x1u s ASP 75 Ca -0.09 2.28 0.08 0.00 0.18 0.00 0.00 52.55 54.99 1x1u s ASP 75 Cb -0.04 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.31 1x1u s ASP 75 CO 0.04 -0.39 -0.19 -0.63 1.18 0.00 0.00 175.17 175.17 1x1u s ILE 76 N -0.09 2.70 -1.07 0.77 -1.09 -0.72 -4.66 121.20 117.04 1x1u s ILE 76 Ca 0.53 -1.34 0.00 0.00 -2.23 0.00 0.00 60.65 57.61 1x1u s ILE 76 Cb -0.33 -2.17 0.00 0.00 -1.58 0.00 0.00 42.46 38.38 1x1u s ILE 76 CO 0.37 0.25 0.00 0.59 -1.23 0.00 0.00 174.94 174.93 1x1u n ASN 77 N 1.31 -5.14 -4.76 3.58 3.02 0.11 -4.56 115.26 108.81 1x1u n ASN 77 Ca -0.16 0.25 -0.39 0.00 -0.03 0.00 0.00 54.58 54.24 1x1u n ASN 77 Cb 0.52 -3.53 -0.05 0.00 -0.61 0.00 0.00 39.78 36.11 1x1u n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1x1u s TYR 78 N -2.06 3.75 0.10 3.10 6.14 -1.26 -4.95 117.35 122.16 1x1u s TYR 78 Ca 0.00 1.40 0.00 0.00 0.64 0.00 0.00 57.07 59.11 1x1u s TYR 78 Cb 0.00 -2.73 0.00 0.00 0.42 0.00 0.00 41.96 39.65 1x1u s TYR 78 CO 0.00 0.35 0.00 0.25 0.64 0.00 0.00 175.55 176.79 1x1u n THR 79 N 2.56 1.21 -3.85 4.34 -2.24 -1.26 -4.92 114.28 110.12 1x1u n THR 79 Ca -0.05 0.40 -0.07 0.00 -2.27 0.00 0.00 64.05 62.06 1x1u n THR 79 Cb 0.50 -1.57 -0.02 0.00 -2.10 0.00 0.00 70.33 67.14 1x1u n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x1u s SER 80 N -5.97 -0.27 0.00 3.42 1.04 -1.26 -4.75 113.70 105.91 1x1u s SER 80 Ca 0.00 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.84 1x1u s SER 80 Cb 0.00 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.84 1x1u s SER 80 CO 0.00 -1.34 0.00 0.61 0.98 0.00 0.00 173.24 173.49 1x1u n GLY 81 N -0.46 -0.19 3.79 7.32 0.00 -1.25 -4.86 105.19 109.54 1x1u n GLY 81 Ca -0.04 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 1x1u n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x1u s PHE 82 N 0.00 3.47 0.46 1.61 0.08 -1.26 -4.52 117.98 117.82 1x1u s PHE 82 Ca 0.00 1.69 -0.25 0.00 0.12 0.00 0.00 56.93 58.50 1x1u s PHE 82 Cb 0.00 -2.94 -0.08 0.00 -0.57 0.00 0.00 43.02 39.44 1x1u s PHE 82 CO 0.00 -0.07 1.38 1.03 -0.10 0.00 0.00 175.22 177.46 1x1u s ARG 83 N -2.55 3.65 0.00 0.44 0.52 -1.26 -5.02 118.95 114.73 1x1u s ARG 83 Ca 0.56 2.30 0.00 0.00 -0.52 0.00 0.00 55.73 58.08 1x1u s ARG 83 Cb -0.16 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.72 1x1u s ARG 83 CO 0.21 -0.81 0.00 0.27 0.02 0.00 0.00 175.30 174.99 1x1u n ASN 84 N -0.29 0.00 -0.87 0.23 0.23 -1.26 -5.02 115.26 108.28 1x1u n ASN 84 Ca 0.06 -0.03 0.08 0.00 -0.53 0.00 0.00 54.58 54.16 1x1u n ASN 84 Cb 0.43 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.38 1x1u n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1x1u n SER 85 N -0.09 3.80 -4.57 0.53 3.41 -1.26 -5.00 113.62 110.44 1x1u n SER 85 Ca 0.00 -3.04 -0.34 0.00 -0.26 0.00 0.00 58.87 55.23 1x1u n SER 85 Cb 0.00 -0.54 -0.11 0.00 -0.26 0.00 0.00 64.21 63.30 1x1u n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1x1u s ASP 86 N -1.99 5.19 0.01 4.04 1.01 -1.26 -2.59 116.67 121.09 1x1u s ASP 86 Ca 0.42 -0.01 -0.04 0.00 0.71 0.00 0.00 52.55 53.62 1x1u s ASP 86 Cb 0.34 -1.83 -0.01 0.00 1.01 0.00 0.00 42.92 42.43 1x1u s ASP 86 CO 0.08 0.19 0.07 -0.13 0.21 0.00 0.00 175.17 175.60 1x1u s ARG 87 N 0.24 0.42 -0.07 8.23 1.81 -0.58 -1.76 118.95 127.24 1x1u s ARG 87 Ca 0.00 -0.48 0.01 0.00 -1.72 0.00 0.00 55.73 53.54 1x1u s ARG 87 Cb -0.13 0.17 -0.03 0.00 -0.45 0.00 0.00 34.95 34.51 1x1u s ARG 87 CO 0.02 -0.09 -0.08 -1.50 -0.68 0.00 0.00 175.30 172.97 1x1u s ILE 88 N -1.41 3.62 -0.12 1.52 2.07 0.11 -1.83 121.20 125.16 1x1u s ILE 88 Ca -0.15 -0.50 0.03 0.00 -1.41 0.00 0.00 60.65 58.61 1x1u s ILE 88 Cb -0.09 -2.48 0.00 0.00 0.13 0.00 0.00 42.46 40.03 1x1u s ILE 88 CO 0.01 0.59 -0.22 -0.76 -1.91 0.00 0.00 174.94 172.65 1x1u s LEU 89 N -0.70 2.17 -0.00 8.50 2.01 0.18 -1.42 118.68 129.43 1x1u s LEU 89 Ca 0.11 -0.56 0.03 0.00 0.01 0.00 0.00 54.13 53.72 1x1u s LEU 89 Cb -0.11 -1.45 -0.01 0.00 0.01 0.00 0.00 46.19 44.63 1x1u s LEU 89 CO 0.02 0.12 -0.09 -0.72 1.01 0.00 0.00 176.35 176.69 1x1u s TYR 90 N 0.59 0.79 0.35 0.29 1.13 -0.59 0.20 117.35 120.11 1x1u s TYR 90 Ca -0.12 -0.17 0.07 0.00 -1.41 0.00 0.00 57.07 55.44 1x1u s TYR 90 Cb -0.17 -0.50 -0.01 0.00 -1.10 0.00 0.00 41.96 40.19 1x1u s TYR 90 CO 0.03 -0.01 0.48 -1.54 -2.51 0.00 0.00 175.55 172.00 1x1u s SER 91 N -0.31 5.91 0.56 -0.18 1.04 -0.64 -1.05 113.70 119.02 1x1u s SER 91 Ca 0.03 -0.23 0.31 0.00 0.48 0.00 0.00 55.95 56.54 1x1u s SER 91 Cb -0.04 -1.14 1.69 0.00 0.10 0.00 0.00 66.02 66.63 1x1u s SER 91 CO -0.00 -0.48 2.16 0.77 0.98 0.00 0.00 173.24 176.66 1x1u h SER 92 N 0.86 0.00 -0.55 7.02 4.64 -1.61 0.25 113.55 124.16 1x1u h SER 92 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1x1u h SER 92 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1x1u h SER 92 CO 0.52 0.06 0.00 -0.90 -0.87 0.00 0.00 176.83 175.64 1x1u n ASP 93 N -3.55 5.24 -3.11 4.97 5.75 -1.26 -4.97 116.55 119.62 1x1u n ASP 93 Ca -0.02 -2.81 -0.19 0.00 -0.01 0.00 0.00 54.79 51.77 1x1u n ASP 93 Cb 0.18 -0.64 0.07 0.00 -1.03 0.00 0.00 41.12 39.71 1x1u n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1x1u n TRP 94 N 0.62 -2.30 -3.33 2.11 7.02 0.08 -5.04 117.44 116.60 1x1u n TRP 94 Ca 0.26 0.85 -0.38 0.00 -1.02 0.00 0.00 57.50 57.21 1x1u n TRP 94 Cb 1.07 -4.48 -0.06 0.00 -2.42 0.00 0.00 31.31 25.42 1x1u n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1x1u s LEU 95 N -6.18 4.50 -0.12 -0.99 1.02 -1.26 -4.83 118.68 110.82 1x1u s LEU 95 Ca 0.37 1.19 0.02 0.00 0.02 0.00 0.00 54.13 55.72 1x1u s LEU 95 Cb -0.16 -2.86 0.01 0.00 0.02 0.00 0.00 46.19 43.20 1x1u s LEU 95 CO 0.62 0.27 -0.18 -0.63 0.02 0.00 0.00 176.35 176.45 1x1u s ILE 96 N -1.14 1.74 0.31 -0.59 -1.09 -0.81 -1.62 121.20 118.00 1x1u s ILE 96 Ca 0.29 -0.79 0.05 0.00 -2.23 0.00 0.00 60.65 57.96 1x1u s ILE 96 Cb -0.19 -1.56 -0.06 0.00 -1.58 0.00 0.00 42.46 39.08 1x1u s ILE 96 CO 0.18 0.49 0.01 -0.31 -1.23 0.00 0.00 174.94 174.08 1x1u s TYR 97 N 0.85 1.99 0.04 3.97 2.02 0.13 -0.77 117.35 125.58 1x1u s TYR 97 Ca -0.08 -0.84 -0.08 0.00 -0.37 0.00 0.00 57.07 55.69 1x1u s TYR 97 Cb -0.15 -1.25 0.00 0.00 -0.40 0.00 0.00 41.96 40.15 1x1u s TYR 97 CO -0.00 0.14 0.17 -1.59 -1.57 0.00 0.00 175.55 172.69 1x1u s LYS 98 N -3.82 0.67 -0.02 -0.62 -2.85 -0.48 0.49 119.74 113.12 1x1u s LYS 98 Ca 0.34 -0.66 -0.02 0.00 -1.00 0.00 0.00 55.97 54.62 1x1u s LYS 98 Cb 0.07 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 36.12 1x1u s LYS 98 CO 0.14 -0.19 0.06 -0.08 0.10 0.00 0.00 175.35 175.38 1x1u s THR 99 N -2.58 0.02 0.00 3.79 -1.32 -0.76 -0.98 115.64 113.81 1x1u s THR 99 Ca -0.05 -0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.27 1x1u s THR 99 Cb -0.01 -0.14 0.00 0.00 -1.51 0.00 0.00 72.50 70.84 1x1u s THR 99 CO -0.04 -0.09 0.54 0.35 -2.21 0.00 0.00 174.62 173.17 1x1u n THR 100 N 2.76 0.27 -2.11 5.08 -2.24 -1.26 -1.52 114.28 115.26 1x1u n THR 100 Ca -0.14 -0.48 -0.21 0.00 -2.27 0.00 0.00 64.05 60.95 1x1u n THR 100 Cb 0.59 1.06 0.02 0.00 -2.10 0.00 0.00 70.33 69.90 1x1u n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1x1u n ASP 101 N -0.13 4.56 -3.60 3.42 5.68 -1.24 -4.65 116.55 120.59 1x1u n ASP 101 Ca 0.00 -3.56 -0.27 0.00 -0.50 0.00 0.00 54.79 50.45 1x1u n ASP 101 Cb 0.18 -0.36 0.05 0.00 -1.14 0.00 0.00 41.12 39.85 1x1u n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1x1u n HIS 102 N -0.70 -2.02 -1.38 2.11 -0.00 -1.07 -2.70 115.22 109.47 1x1u n HIS 102 Ca 0.40 0.57 -0.13 0.00 -0.00 0.00 0.00 57.72 58.55 1x1u n HIS 102 Cb 0.95 -3.65 -0.06 0.00 -0.00 0.00 0.00 29.99 27.24 1x1u n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1x1u n TYR 103 N -4.00 0.00 -0.03 1.57 4.02 -1.26 -4.89 117.16 112.57 1x1u n TYR 103 Ca -0.11 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.64 1x1u n TYR 103 Cb 0.60 -2.60 -0.12 0.00 -0.02 0.00 0.00 39.34 37.21 1x1u n TYR 103 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1x1u h GLN 104 N 0.04 0.11 -4.55 -0.72 4.20 -1.93 -3.47 115.11 108.79 1x1u h GLN 104 Ca -0.27 -0.13 -0.22 0.00 0.06 0.00 0.00 58.65 58.09 1x1u h GLN 104 Cb 1.02 0.04 -0.17 0.00 0.30 0.00 0.00 27.48 28.67 1x1u h GLN 104 CO 0.39 0.91 -0.71 0.95 -0.67 0.00 0.00 178.83 179.71 1x1u s THR 105 N -2.96 0.57 0.16 -0.54 -4.23 -1.26 -5.12 115.64 102.26 1x1u s THR 105 Ca -0.17 -1.62 0.05 0.00 -1.18 0.00 0.00 61.69 58.77 1x1u s THR 105 Cb -0.00 -1.28 -0.04 0.00 1.34 0.00 0.00 72.50 72.51 1x1u s THR 105 CO 0.72 -0.73 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.60 1x1u s PHE 106 N -2.91 1.39 -0.04 3.99 0.08 -1.26 -4.47 117.98 114.77 1x1u s PHE 106 Ca 0.04 -0.69 -0.00 0.00 0.12 0.00 0.00 56.93 56.40 1x1u s PHE 106 Cb 0.00 -0.69 0.03 0.00 -0.57 0.00 0.00 43.02 41.79 1x1u s PHE 106 CO -0.04 0.16 0.00 0.99 -0.10 0.00 0.00 175.22 176.24 1x1u s THR 107 N -3.12 0.23 -0.02 0.64 2.01 -0.16 -4.93 115.64 110.29 1x1u s THR 107 Ca 0.17 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.98 1x1u s THR 107 Cb 0.01 -0.34 -0.05 0.00 0.01 0.00 0.00 72.50 72.13 1x1u s THR 107 CO 0.02 0.18 1.31 -0.75 -0.69 0.00 0.00 174.62 174.69 1x1u s LYS 108 N 1.31 4.32 -0.00 4.92 2.20 -1.26 -1.38 119.74 129.85 1x1u s LYS 108 Ca -0.06 1.84 0.03 0.00 -0.36 0.00 0.00 55.97 57.43 1x1u s LYS 108 Cb -0.13 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.60 1x1u s LYS 108 CO -0.02 -0.50 0.11 0.44 -0.36 0.00 0.00 175.35 175.01 1x1u n ILE 109 N 4.59 0.00 -1.28 5.43 -5.35 0.05 -4.98 119.36 117.82 1x1u n ILE 109 Ca 0.12 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1x1u n ILE 109 Cb 0.45 0.73 0.00 0.00 -1.74 0.00 0.00 39.64 39.08 1x1u n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33