#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1u s VAL 3 N 0.00 4.94 -0.50 -0.39 1.01 -1.26 -5.01 120.40 119.19 1x1u s VAL 3 Ca 0.00 1.29 -0.10 0.00 0.00 0.00 0.00 61.98 63.17 1x1u s VAL 3 Cb 0.00 -3.96 0.13 0.00 0.00 0.00 0.00 36.38 32.55 1x1u s VAL 3 CO 0.00 0.38 0.38 -0.63 0.00 0.00 0.00 175.10 175.23 1x1u s ILE 4 N 0.07 4.36 -0.01 2.22 1.09 -1.26 -4.86 121.20 122.80 1x1u s ILE 4 Ca 0.32 -1.83 0.02 0.00 -1.10 0.00 0.00 60.65 58.06 1x1u s ILE 4 Cb -0.18 -3.85 0.03 0.00 -1.06 0.00 0.00 42.46 37.40 1x1u s ILE 4 CO 0.17 -0.80 0.89 -0.46 -0.10 0.00 0.00 174.94 174.64 1x1u n ASN 5 N 4.85 1.46 -4.93 3.58 6.94 -1.26 -4.71 115.26 121.19 1x1u n ASN 5 Ca -0.07 -1.86 -0.27 0.00 -0.02 0.00 0.00 54.58 52.36 1x1u n ASN 5 Cb 0.41 -0.05 -0.03 0.00 -2.36 0.00 0.00 39.78 37.75 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 -0.90 5.21 0.12 5.53 -4.23 -1.26 -1.17 115.64 118.94 1x1u s THR 6 Ca 0.03 -0.42 -0.32 0.00 -1.18 0.00 0.00 61.69 59.80 1x1u s THR 6 Cb 0.03 -3.74 -0.11 0.00 1.34 0.00 0.00 72.50 70.02 1x1u s THR 6 CO 0.00 -0.19 1.56 -0.26 -0.54 0.00 0.00 174.62 175.20 1x1u h PHE 7 N 1.94 -1.46 -0.37 3.99 0.04 -1.97 -0.40 116.94 118.71 1x1u h PHE 7 Ca -0.48 0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.34 1x1u h PHE 7 Cb 1.19 0.65 -0.02 0.00 2.20 0.00 0.00 35.95 39.97 1x1u h PHE 7 CO 0.55 -0.54 0.21 0.22 -0.60 0.00 0.00 178.31 178.15 1x1u h ASP 8 N -0.60 0.46 0.01 2.17 3.58 -1.99 -1.11 116.42 118.94 1x1u h ASP 8 Ca 0.04 -0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.42 1x1u h ASP 8 Cb 0.68 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1x1u h ASP 8 CO -0.39 0.39 -0.03 1.23 -2.88 0.00 0.00 179.24 177.56 1x1u h GLY 9 N 0.48 -0.04 1.06 -0.78 0.00 -1.92 -0.01 103.07 101.86 1x1u h GLY 9 Ca 0.13 0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.39 1x1u h GLY 9 CO -0.02 -0.04 -0.13 -2.08 0.00 0.00 0.00 176.54 174.26 1x1u h VAL 10 N -0.06 1.27 -0.55 4.60 2.07 -1.04 0.21 116.25 122.75 1x1u h VAL 10 Ca 0.01 -1.28 0.03 0.00 0.82 0.00 0.00 66.70 66.29 1x1u h VAL 10 Cb 0.08 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1x1u h VAL 10 CO -0.03 0.44 0.31 0.00 0.02 0.00 0.00 177.57 178.32 1x1u h ALA 11 N 0.88 0.71 -0.38 1.67 0.00 -1.09 0.36 119.26 121.40 1x1u h ALA 11 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1x1u h ALA 11 Cb 0.69 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1x1u h ALA 11 CO 0.05 0.01 0.14 0.22 0.00 0.00 0.00 179.25 179.67 1x1u h ASP 12 N 0.62 0.54 -0.38 0.00 1.82 -0.65 -1.66 116.42 116.70 1x1u h ASP 12 Ca 0.23 -0.19 -0.03 0.00 -0.39 0.00 0.00 57.03 56.66 1x1u h ASP 12 Cb 0.07 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 39.92 1x1u h ASP 12 CO -0.12 0.58 0.13 0.22 -1.61 0.00 0.00 179.24 178.44 1x1u h TYR 13 N 0.47 0.60 -0.28 0.28 5.03 0.05 -2.72 116.97 120.41 1x1u h TYR 13 Ca 0.13 -0.06 0.01 0.00 2.58 0.00 0.00 58.73 61.39 1x1u h TYR 13 Cb 0.22 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.31 1x1u h TYR 13 CO 0.00 0.56 0.15 -0.07 -1.32 0.00 0.00 178.16 177.49 1x1u h LEU 14 N 0.47 0.23 -0.29 2.82 3.38 -0.19 -0.82 115.31 120.90 1x1u h LEU 14 Ca 0.12 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1x1u h LEU 14 Cb 0.24 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1x1u h LEU 14 CO -0.01 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.70 1x1u n GLN 15 N -4.95 0.09 -0.13 1.13 6.02 -0.64 0.17 117.38 119.06 1x1u n GLN 15 Ca -0.01 0.31 -0.25 0.00 -0.01 0.00 0.00 57.00 57.04 1x1u n GLN 15 Cb 0.06 -1.66 -0.11 0.00 1.02 0.00 0.00 30.24 29.54 1x1u n GLN 15 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1x1u n THR 16 N -1.83 1.51 0.02 5.09 -1.04 -0.97 -4.63 114.28 112.43 1x1u n THR 16 Ca 0.03 -0.47 0.07 0.00 -2.04 0.00 0.00 64.05 61.65 1x1u n THR 16 Cb 0.21 -1.68 -0.11 0.00 -1.82 0.00 0.00 70.33 66.93 1x1u n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1x1u n TYR 17 N -3.82 0.42 -3.05 -1.42 4.01 -0.35 -4.99 117.16 107.96 1x1u n TYR 17 Ca -0.51 0.13 -0.13 0.00 -0.16 0.00 0.00 57.90 57.23 1x1u n TYR 17 Cb 0.93 -0.77 0.06 0.00 -0.31 0.00 0.00 39.34 39.25 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 -2.53 -1.62 -3.61 -0.72 8.25 0.13 -5.00 115.22 110.12 1x1u n HIS 18 Ca -0.07 0.65 -0.02 0.00 -0.26 0.00 0.00 57.72 58.02 1x1u n HIS 18 Cb 0.67 -3.95 -0.01 0.00 1.12 0.00 0.00 29.99 27.82 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 -5.23 0.26 0.72 -0.41 -2.85 -1.24 -5.07 119.74 105.91 1x1u s LYS 19 Ca 0.13 -0.12 -0.10 0.00 -1.00 0.00 0.00 55.97 54.89 1x1u s LYS 19 Cb -0.06 0.10 0.04 0.00 -2.06 0.00 0.00 37.83 35.86 1x1u s LYS 19 CO 0.49 -0.11 1.07 -0.51 0.10 0.00 0.00 175.35 176.39 1x1u s LEU 20 N -2.45 2.83 0.69 2.77 1.43 -1.26 -3.91 118.68 118.77 1x1u s LEU 20 Ca 0.12 0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 53.94 1x1u s LEU 20 Cb 0.01 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.71 1x1u s LEU 20 CO -0.04 -1.50 1.07 -2.16 0.23 0.00 0.00 176.35 173.95 1x1u s PRO 21 N -5.34 3.01 0.25 1.29 0.04 -1.26 -4.93 135.00 128.06 1x1u s PRO 21 Ca 0.59 0.68 0.11 0.00 0.04 0.00 0.00 61.00 62.42 1x1u s PRO 21 Cb -0.11 -2.02 0.62 0.00 0.04 0.00 0.00 34.50 33.03 1x1u s PRO 21 CO 0.49 -0.98 1.25 -0.25 0.04 0.00 0.00 177.00 177.54 1x1u n ASP 22 N -3.01 0.30 -0.24 6.66 9.92 -1.26 -2.22 116.55 126.70 1x1u n ASP 22 Ca 0.07 0.54 0.04 0.00 -0.53 0.00 0.00 54.79 54.91 1x1u n ASP 22 Cb 0.55 -0.51 0.17 0.00 -0.64 0.00 0.00 41.12 40.69 1x1u n ASP 22 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1x1u n ASN 23 N -1.92 0.70 -4.49 -2.24 6.94 -1.26 -4.87 115.26 108.12 1x1u n ASN 23 Ca -0.01 -1.88 -0.31 0.00 -0.02 0.00 0.00 54.58 52.36 1x1u n ASN 23 Cb 0.24 -0.08 -0.12 0.00 -2.36 0.00 0.00 39.78 37.46 1x1u n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1x1u s TYR 24 N -1.85 2.65 -0.06 -2.53 2.02 -0.94 -0.54 117.35 116.09 1x1u s TYR 24 Ca 0.14 -0.20 -0.07 0.00 -0.37 0.00 0.00 57.07 56.58 1x1u s TYR 24 Cb 0.07 -1.52 0.02 0.00 -0.40 0.00 0.00 41.96 40.13 1x1u s TYR 24 CO 0.11 0.26 0.19 0.96 -1.57 0.00 0.00 175.55 175.50 1x1u s ILE 25 N -0.91 0.01 0.97 2.71 -5.25 -0.82 -4.92 121.20 112.99 1x1u s ILE 25 Ca 0.15 -0.08 -0.12 0.00 -0.99 0.00 0.00 60.65 59.60 1x1u s ILE 25 Cb -0.11 -0.30 0.17 0.00 2.95 0.00 0.00 42.46 45.18 1x1u s ILE 25 CO 0.05 -0.05 1.09 0.42 -1.79 0.00 0.00 174.94 174.66 1x1u s THR 26 N -0.09 2.34 0.18 8.37 -4.23 -1.19 -1.64 115.64 119.38 1x1u s THR 26 Ca -0.02 0.11 -0.14 0.00 -1.18 0.00 0.00 61.69 60.46 1x1u s THR 26 Cb -0.02 -2.50 0.07 0.00 1.34 0.00 0.00 72.50 71.39 1x1u s THR 26 CO 0.00 -0.15 1.74 0.11 -0.54 0.00 0.00 174.62 175.79 1x1u h LYS 27 N -1.85 0.30 0.07 3.99 1.57 -1.97 -1.13 116.57 117.55 1x1u h LYS 27 Ca -0.53 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.25 1x1u h LYS 27 Cb 1.30 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.52 1x1u h LYS 27 CO 0.54 0.20 -0.18 1.03 -0.57 0.00 0.00 179.45 180.46 1x1u h SER 28 N 0.31 -0.52 -0.78 0.86 0.87 -1.98 0.23 113.55 112.53 1x1u h SER 28 Ca 0.22 0.07 0.08 0.00 -1.23 0.00 0.00 61.79 60.92 1x1u h SER 28 Cb 0.23 0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 62.33 1x1u h SER 28 CO -0.24 -0.26 0.45 -0.33 -0.53 0.00 0.00 176.83 175.92 1x1u h GLU 29 N -0.34 0.77 -0.42 2.24 5.08 -1.85 0.28 114.58 120.34 1x1u h GLU 29 Ca 0.04 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1x1u h GLU 29 Cb 0.37 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1x1u h GLU 29 CO -0.13 0.51 0.21 0.00 -1.00 0.00 0.00 179.01 178.60 1x1u h ALA 30 N 1.41 0.54 -0.91 3.43 0.00 -0.61 -1.34 119.26 121.77 1x1u h ALA 30 Ca 0.36 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.25 1x1u h ALA 30 Cb 0.26 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1x1u h ALA 30 CO -0.21 0.09 0.56 0.37 0.00 0.00 0.00 179.25 180.06 1x1u h GLN 31 N 0.53 0.96 -0.71 0.00 5.75 0.88 -0.66 115.11 121.86 1x1u h GLN 31 Ca 0.14 -0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.64 1x1u h GLN 31 Cb 0.10 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.39 1x1u h GLN 31 CO -0.02 0.63 0.47 0.00 -2.65 0.00 0.00 178.83 177.26 1x1u h ALA 32 N 1.45 1.69 -0.05 3.38 0.00 0.60 -0.41 119.26 125.91 1x1u h ALA 32 Ca 0.41 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.21 1x1u h ALA 32 Cb 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1x1u h ALA 32 CO -0.20 0.20 -0.41 -0.07 0.00 0.00 0.00 179.25 178.77 1x1u h LEU 33 N 0.76 0.12 0.00 0.00 -0.00 -0.49 -3.46 115.31 112.23 1x1u h LEU 33 Ca 0.30 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 58.14 1x1u h LEU 33 Cb 0.23 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.85 1x1u h LEU 33 CO -0.10 0.52 0.00 0.61 -0.00 0.00 0.00 178.44 179.47 1x1u n GLY 34 N -0.27 1.33 3.73 0.83 0.00 -0.17 -4.97 105.19 105.66 1x1u n GLY 34 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.39 3.38 -0.36 1.61 -0.00 -0.83 -4.97 118.94 116.38 1x1u s TRP 35 Ca 0.00 1.35 0.00 0.00 -0.00 0.00 0.00 56.10 57.45 1x1u s TRP 35 Cb 0.00 -3.48 0.12 0.00 -0.00 0.00 0.00 33.47 30.11 1x1u s TRP 35 CO 0.00 -1.42 0.17 0.08 -0.00 0.00 0.00 176.95 175.79 1x1u s VAL 36 N 0.13 0.89 0.13 5.86 1.01 -1.26 -4.50 120.40 122.66 1x1u s VAL 36 Ca 0.55 -1.85 -0.12 0.00 0.00 0.00 0.00 61.98 60.56 1x1u s VAL 36 Cb -0.33 -1.65 0.11 0.00 0.00 0.00 0.00 36.38 34.51 1x1u s VAL 36 CO 0.36 -0.82 0.91 0.00 0.00 0.00 0.00 175.10 175.55 1x1u n ALA 37 N 4.24 -0.12 -0.14 5.51 0.00 -1.26 0.17 120.51 128.91 1x1u n ALA 37 Ca 0.04 0.57 0.28 0.00 0.00 0.00 0.00 53.44 54.33 1x1u n ALA 37 Cb 0.38 -0.23 0.70 0.00 0.00 0.00 0.00 19.45 20.30 1x1u n ALA 37 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1x1u h SER 38 N 0.00 0.00 0.66 0.00 0.02 -2.02 0.20 113.55 112.41 1x1u h SER 38 Ca 0.19 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.97 1x1u h SER 38 Cb 0.33 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 1x1u h SER 38 CO -0.58 0.00 -1.46 0.29 -1.14 0.00 0.00 176.83 173.94 1x1u n LYS 39 N -3.88 0.62 -3.44 3.45 5.02 0.45 -4.98 118.16 115.40 1x1u n LYS 39 Ca 0.18 0.19 -0.19 0.00 -2.02 0.00 0.00 58.31 56.47 1x1u n LYS 39 Cb 1.02 -1.79 0.08 0.00 -0.02 0.00 0.00 35.03 34.33 1x1u n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x1u n GLY 40 N 1.40 -0.39 1.20 0.72 0.00 0.71 -4.90 105.19 103.93 1x1u n GLY 40 Ca -0.10 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.90 3.48 0.00 1.61 6.94 -1.26 -3.85 115.26 119.28 1x1u n ASN 41 Ca -0.14 -3.35 -0.10 0.00 -0.02 0.00 0.00 54.58 50.97 1x1u n ASN 41 Cb 0.61 -0.62 -0.04 0.00 -2.36 0.00 0.00 39.78 37.38 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 1.57 -0.30 -1.00 -4.53 5.85 -1.91 -1.41 115.31 113.58 1x1u h LEU 42 Ca 0.15 0.06 0.08 0.00 0.84 0.00 0.00 57.88 59.01 1x1u h LEU 42 Cb 1.71 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 42.82 1x1u h LEU 42 CO 0.40 -0.13 0.65 0.00 -0.34 0.00 0.00 178.44 179.01 1x1u h ALA 43 N 0.98 1.42 -0.55 1.25 0.00 -1.84 0.88 119.26 121.39 1x1u h ALA 43 Ca 0.08 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1x1u h ALA 43 Cb 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1x1u h ALA 43 CO -0.18 0.40 0.11 -0.44 0.00 0.00 0.00 179.25 179.14 1x1u h ASP 44 N 1.14 0.80 0.26 0.00 3.32 -1.72 0.28 116.42 120.50 1x1u h ASP 44 Ca 0.45 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1x1u h ASP 44 Cb 0.23 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1x1u h ASP 44 CO -0.19 0.80 -0.99 0.55 -1.72 0.00 0.00 179.24 177.68 1x1u n VAL 45 N -4.26 0.07 -2.75 -1.35 3.14 -0.60 -4.68 118.33 107.89 1x1u n VAL 45 Ca 0.04 -0.13 -0.07 0.00 -2.96 0.00 0.00 64.34 61.22 1x1u n VAL 45 Cb 0.24 0.48 0.04 0.00 -1.06 0.00 0.00 33.84 33.54 1x1u n VAL 45 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x1u n ALA 46 N -1.69 -1.63 -1.74 1.55 0.00 0.30 -4.88 120.51 112.42 1x1u n ALA 46 Ca 0.03 -1.25 -0.41 0.00 0.00 0.00 0.00 53.44 51.81 1x1u n ALA 46 Cb 0.39 -1.44 0.01 0.00 0.00 0.00 0.00 19.45 18.41 1x1u n ALA 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1x1u n PRO 47 N 2.05 2.21 -0.62 0.00 -0.04 0.07 -2.05 135.00 136.62 1x1u n PRO 47 Ca 0.12 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 1x1u n PRO 47 Cb 0.61 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 1x1u n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x1u n GLY 48 N 0.64 1.54 3.97 0.55 0.00 -1.26 -5.01 105.19 105.63 1x1u n GLY 48 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.06 3.08 -0.11 1.61 -0.14 -0.87 -4.72 119.74 118.53 1x1u s LYS 49 Ca 0.00 -0.74 -0.16 0.00 -1.36 0.00 0.00 55.97 53.71 1x1u s LYS 49 Cb 0.00 -2.68 0.04 0.00 -1.68 0.00 0.00 37.83 33.50 1x1u s LYS 49 CO 0.00 -0.12 0.41 -1.12 -0.76 0.00 0.00 175.35 173.76 1x1u s SER 50 N -4.20 -0.38 0.19 2.83 0.01 0.30 -4.87 113.70 107.58 1x1u s SER 50 Ca 0.47 0.62 -0.31 0.00 1.31 0.00 0.00 55.95 58.03 1x1u s SER 50 Cb -0.10 0.68 -0.11 0.00 0.21 0.00 0.00 66.02 66.71 1x1u s SER 50 CO 0.35 -0.27 1.59 -0.63 0.41 0.00 0.00 173.24 174.69 1x1u s ILE 51 N -0.33 2.47 0.00 1.44 1.09 -1.26 -1.95 121.20 122.66 1x1u s ILE 51 Ca -0.05 0.35 0.00 0.00 -1.10 0.00 0.00 60.65 59.85 1x1u s ILE 51 Cb -0.03 -3.22 0.00 0.00 -1.06 0.00 0.00 42.46 38.15 1x1u s ILE 51 CO 0.02 0.03 0.00 0.61 -0.10 0.00 0.00 174.94 175.51 1x1u n GLY 52 N 3.53 1.23 0.00 6.18 0.00 -0.65 -0.14 105.19 115.33 1x1u n GLY 52 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1x1u n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1u n GLY 53 N -0.06 0.65 3.77 -0.02 0.00 0.40 -3.15 105.19 106.78 1x1u n GLY 53 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.99 5.62 0.23 1.61 1.01 -1.17 -4.66 116.67 117.32 1x1u s ASP 54 Ca 0.00 2.13 -0.30 0.00 0.71 0.00 0.00 52.55 55.09 1x1u s ASP 54 Cb 0.00 -2.57 -0.10 0.00 1.01 0.00 0.00 42.92 41.26 1x1u s ASP 54 CO 0.00 -1.29 1.43 -0.51 0.21 0.00 0.00 175.17 175.01 1x1u s ILE 55 N -1.90 2.76 -0.23 0.77 -1.16 -1.26 -0.52 121.20 119.65 1x1u s ILE 55 Ca 0.71 0.62 -0.06 0.00 -0.51 0.00 0.00 60.65 61.41 1x1u s ILE 55 Cb -0.23 -3.40 -0.02 0.00 0.61 0.00 0.00 42.46 39.42 1x1u s ILE 55 CO 0.30 0.09 0.02 0.12 -2.81 0.00 0.00 174.94 172.66 1x1u s PHE 56 N 0.15 3.04 -2.26 3.50 5.36 0.14 -4.76 117.98 123.15 1x1u s PHE 56 Ca 0.60 -0.57 0.30 0.00 -0.96 0.00 0.00 56.93 56.30 1x1u s PHE 56 Cb -0.41 -2.17 1.43 0.00 -0.34 0.00 0.00 43.02 41.53 1x1u s PHE 56 CO 0.41 -0.38 1.96 0.43 -1.46 0.00 0.00 175.22 176.18 1x1u n SER 57 N 4.73 0.81 -4.14 6.13 7.64 -1.26 -3.95 113.62 123.58 1x1u n SER 57 Ca -0.17 -1.25 -0.37 0.00 1.01 0.00 0.00 58.87 58.09 1x1u n SER 57 Cb 0.51 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 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 -0.37 -1.58 0.32 6.43 5.15 -1.26 -4.77 115.26 119.17 1x1u n ASN 58 Ca 0.21 -1.24 0.16 0.00 -0.60 0.00 0.00 54.58 53.11 1x1u n ASN 58 Cb 0.25 -1.89 0.85 0.00 -0.53 0.00 0.00 39.78 38.45 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 -2.15 0.00 -0.13 1.20 3.08 -2.01 -0.79 114.38 113.59 1x1u h ARG 59 Ca -0.68 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.36 1x1u h ARG 59 Cb 1.40 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.44 1x1u h ARG 59 CO 0.61 0.00 -0.02 0.39 -1.07 0.00 0.00 179.97 179.88 1x1u n GLU 60 N -2.96 2.02 -1.90 0.04 1.02 -1.26 -4.96 120.64 112.64 1x1u n GLU 60 Ca -0.02 -2.74 -0.13 0.00 -0.02 0.00 0.00 57.16 54.25 1x1u n GLU 60 Cb 0.37 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.09 1x1u n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x1u n GLY 61 N -1.02 0.40 0.11 0.62 0.00 -0.30 -4.86 105.19 100.15 1x1u n GLY 61 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.26 -7.07 1.61 1.57 -1.93 -3.44 116.57 107.57 1x1u h LYS 62 Ca -0.29 -0.11 -0.47 0.00 -1.87 0.00 0.00 60.65 57.91 1x1u h LYS 62 Cb 1.05 -0.01 0.03 0.00 0.08 0.00 0.00 32.23 33.38 1x1u h LYS 62 CO 0.39 0.58 0.39 -0.51 -0.57 0.00 0.00 179.45 179.72 1x1u s LEU 63 N -9.33 3.85 0.08 2.94 1.43 -1.26 -4.98 118.68 111.41 1x1u s LEU 63 Ca -0.14 1.95 -0.31 0.00 -1.03 0.00 0.00 54.13 54.59 1x1u s LEU 63 Cb 0.05 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.64 1x1u s LEU 63 CO 0.72 -0.80 1.46 -2.16 0.23 0.00 0.00 176.35 175.80 1x1u s PRO 64 N -3.22 4.28 0.17 1.29 0.04 -1.26 -5.03 135.00 131.26 1x1u s PRO 64 Ca 0.67 2.13 0.06 0.00 0.04 0.00 0.00 61.00 63.90 1x1u s PRO 64 Cb -0.17 -3.38 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 1x1u s PRO 64 CO 0.20 -0.55 0.10 0.20 0.04 0.00 0.00 177.00 176.99 1x1u s GLY 65 N 1.54 1.72 0.10 0.56 0.00 -1.26 -5.10 107.32 104.88 1x1u s GLY 65 Ca 0.67 -1.26 -0.10 0.00 0.00 0.00 0.00 44.72 44.02 1x1u s GLY 65 CO 0.30 -1.27 0.23 1.25 0.00 0.00 0.00 173.10 173.61 1x1u s LYS 66 N -3.06 0.90 -0.18 2.90 2.20 -1.26 -5.07 119.74 116.16 1x1u s LYS 66 Ca 0.30 -0.92 -0.29 0.00 -0.36 0.00 0.00 55.97 54.70 1x1u s LYS 66 Cb -0.10 0.37 -0.05 0.00 -1.51 0.00 0.00 37.83 36.54 1x1u s LYS 66 CO 0.22 -0.30 1.93 0.45 -0.36 0.00 0.00 175.35 177.28 1x1u s SER 67 N -2.86 6.00 0.00 1.43 0.15 -1.26 -1.90 113.70 115.26 1x1u s SER 67 Ca 0.05 1.88 0.00 0.00 0.70 0.00 0.00 55.95 58.58 1x1u s SER 67 Cb 0.04 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1x1u s SER 67 CO -0.11 -1.53 0.00 0.61 1.20 0.00 0.00 173.24 173.41 1x1u n GLY 68 N 5.13 0.62 3.67 9.45 0.00 -1.26 -5.06 105.19 117.75 1x1u n GLY 68 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.77 4.25 0.15 1.61 3.52 -0.80 -4.93 118.95 121.98 1x1u s ARG 69 Ca 0.00 0.70 0.10 0.00 -0.13 0.00 0.00 55.73 56.40 1x1u s ARG 69 Cb 0.00 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 1x1u s ARG 69 CO 0.00 -0.22 -0.21 0.95 -0.81 0.00 0.00 175.30 175.02 1x1u s THR 70 N 1.82 2.61 0.22 4.11 -4.23 -1.26 -4.74 115.64 114.16 1x1u s THR 70 Ca 0.31 -1.74 0.11 0.00 -1.18 0.00 0.00 61.69 59.19 1x1u s THR 70 Cb -0.16 -2.22 -0.05 0.00 1.34 0.00 0.00 72.50 71.42 1x1u s THR 70 CO 0.11 0.01 -0.18 0.26 -0.54 0.00 0.00 174.62 174.28 1x1u s TRP 71 N -1.35 2.40 0.19 3.99 0.52 -1.25 0.48 118.94 123.93 1x1u s TRP 71 Ca 0.19 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 56.01 1x1u s TRP 71 Cb -0.09 -1.13 -0.05 0.00 -1.15 0.00 0.00 33.47 31.05 1x1u s TRP 71 CO 0.10 0.58 0.04 1.03 0.02 0.00 0.00 176.95 178.72 1x1u s ARG 72 N -3.05 1.18 0.14 4.98 0.52 -0.44 0.26 118.95 122.54 1x1u s ARG 72 Ca 0.25 -1.60 -0.01 0.00 -0.52 0.00 0.00 55.73 53.86 1x1u s ARG 72 Cb -0.07 -0.18 -0.04 0.00 0.52 0.00 0.00 34.95 35.17 1x1u s ARG 72 CO 0.13 -0.21 0.05 -1.83 0.02 0.00 0.00 175.30 173.47 1x1u s GLU 73 N -3.98 0.95 -0.16 3.54 -1.05 0.32 -2.31 118.70 116.02 1x1u s GLU 73 Ca 0.29 -1.45 -0.27 0.00 -0.15 0.00 0.00 54.97 53.39 1x1u s GLU 73 Cb 0.07 0.21 0.07 0.00 -0.44 0.00 0.00 34.13 34.03 1x1u s GLU 73 CO 0.07 -0.26 0.67 0.00 0.95 0.00 0.00 175.26 176.70 1x1u s ALA 74 N -4.02 -1.70 0.71 -0.84 0.00 -0.96 0.15 121.76 115.11 1x1u s ALA 74 Ca 0.25 1.62 -0.13 0.00 0.00 0.00 0.00 51.96 53.69 1x1u s ALA 74 Cb 0.07 -0.61 0.03 0.00 0.00 0.00 0.00 23.12 22.62 1x1u s ALA 74 CO 0.02 -0.34 1.10 -0.51 0.00 0.00 0.00 175.76 176.03 1x1u s ASP 75 N -0.36 4.80 0.00 0.00 1.11 0.80 -0.95 116.67 122.07 1x1u s ASP 75 Ca -0.05 1.92 0.01 0.00 0.18 0.00 0.00 52.55 54.61 1x1u s ASP 75 Cb -0.03 -2.54 -0.00 0.00 1.07 0.00 0.00 42.92 41.42 1x1u s ASP 75 CO 0.05 -1.84 -0.04 -0.63 1.18 0.00 0.00 175.17 173.89 1x1u s ILE 76 N -2.60 0.28 -0.49 0.77 -1.09 -0.74 -4.74 121.20 112.59 1x1u s ILE 76 Ca 0.64 -0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.82 1x1u s ILE 76 Cb -0.19 -0.26 0.00 0.00 -1.58 0.00 0.00 42.46 40.43 1x1u s ILE 76 CO 0.48 0.02 0.00 0.59 -1.23 0.00 0.00 174.94 174.80 1x1u n ASN 77 N 2.82 -3.80 -4.80 3.58 5.03 -0.31 -4.45 115.26 113.33 1x1u n ASN 77 Ca -0.14 0.11 -0.39 0.00 0.87 0.00 0.00 54.58 55.04 1x1u n ASN 77 Cb 0.58 -1.71 -0.06 0.00 -1.02 0.00 0.00 39.78 37.57 1x1u n ASN 77 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1x1u s TYR 78 N -2.09 3.84 0.11 3.10 5.04 -1.26 -4.94 117.35 121.14 1x1u s TYR 78 Ca 0.00 1.39 0.00 0.00 -2.44 0.00 0.00 57.07 56.02 1x1u s TYR 78 Cb 0.00 -2.59 0.00 0.00 0.35 0.00 0.00 41.96 39.72 1x1u s TYR 78 CO 0.00 0.56 0.00 0.25 -1.34 0.00 0.00 175.55 175.02 1x1u n THR 79 N 1.70 0.34 -3.85 4.34 -2.24 -1.26 -4.99 114.28 108.33 1x1u n THR 79 Ca -0.09 0.11 -0.09 0.00 -2.27 0.00 0.00 64.05 61.71 1x1u n THR 79 Cb 0.50 -1.02 0.01 0.00 -2.10 0.00 0.00 70.33 67.72 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 -5.28 0.09 0.38 3.42 1.04 -1.26 -4.75 113.70 107.34 1x1u s SER 80 Ca 0.00 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.28 1x1u s SER 80 Cb 0.00 0.82 0.00 0.00 0.10 0.00 0.00 66.02 66.94 1x1u s SER 80 CO 0.00 -1.62 0.00 0.61 0.98 0.00 0.00 173.24 173.21 1x1u n GLY 81 N -0.53 0.78 3.80 7.32 0.00 -1.25 -4.79 105.19 110.52 1x1u n GLY 81 Ca -0.07 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 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 3.83 0.55 1.61 0.08 -1.26 -4.50 117.98 118.28 1x1u s PHE 82 Ca 0.00 1.40 -0.20 0.00 0.12 0.00 0.00 56.93 58.25 1x1u s PHE 82 Cb 0.00 -2.59 -0.07 0.00 -0.57 0.00 0.00 43.02 39.79 1x1u s PHE 82 CO 0.00 0.55 0.96 0.54 -0.10 0.00 0.00 175.22 177.17 1x1u n ARG 83 N 1.59 1.04 0.00 0.44 1.74 -1.26 -5.02 116.66 115.19 1x1u n ARG 83 Ca -0.08 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1x1u n ARG 83 Cb 0.50 -2.12 0.00 0.00 -1.02 0.00 0.00 32.46 29.82 1x1u n ARG 83 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1x1u n ASN 84 N -0.34 0.00 -0.84 0.55 0.23 -1.26 -5.03 115.26 108.57 1x1u n ASN 84 Ca 0.12 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.25 1x1u n ASN 84 Cb 0.45 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 38.40 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 0.00 3.73 -4.71 0.53 3.41 -1.26 -4.98 113.62 110.35 1x1u n SER 85 Ca 0.00 -2.92 -0.35 0.00 -0.26 0.00 0.00 58.87 55.34 1x1u n SER 85 Cb 0.00 -0.51 -0.08 0.00 -0.26 0.00 0.00 64.21 63.36 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 -1.87 6.14 -0.01 4.04 1.01 -1.26 -2.60 116.67 122.11 1x1u s ASP 86 Ca 0.40 0.19 -0.07 0.00 0.71 0.00 0.00 52.55 53.78 1x1u s ASP 86 Cb 0.32 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 42.17 1x1u s ASP 86 CO 0.09 0.16 0.14 -0.13 0.21 0.00 0.00 175.17 175.65 1x1u s ARG 87 N 0.48 0.43 -0.08 8.23 1.81 -0.27 -1.78 118.95 127.77 1x1u s ARG 87 Ca 0.07 -0.27 0.02 0.00 -1.72 0.00 0.00 55.73 53.83 1x1u s ARG 87 Cb -0.12 0.18 -0.02 0.00 -0.45 0.00 0.00 34.95 34.54 1x1u s ARG 87 CO -0.01 -0.10 -0.13 -1.50 -0.68 0.00 0.00 175.30 172.89 1x1u s ILE 88 N -1.09 3.14 -0.10 1.52 2.07 -0.13 -1.47 121.20 125.14 1x1u s ILE 88 Ca -0.12 -0.67 0.03 0.00 -1.41 0.00 0.00 60.65 58.48 1x1u s ILE 88 Cb -0.06 -2.27 -0.00 0.00 0.13 0.00 0.00 42.46 40.25 1x1u s ILE 88 CO 0.01 0.57 -0.22 -0.76 -1.91 0.00 0.00 174.94 172.63 1x1u s LEU 89 N -0.33 2.23 -0.02 8.50 2.01 0.10 -2.27 118.68 128.90 1x1u s LEU 89 Ca 0.03 -0.51 0.02 0.00 0.01 0.00 0.00 54.13 53.68 1x1u s LEU 89 Cb -0.13 -1.45 0.01 0.00 0.01 0.00 0.00 46.19 44.63 1x1u s LEU 89 CO 0.02 0.17 -0.06 -0.72 1.01 0.00 0.00 176.35 176.77 1x1u s TYR 90 N 0.32 0.67 0.56 0.29 1.13 -0.98 0.53 117.35 119.87 1x1u s TYR 90 Ca -0.17 -0.15 0.01 0.00 -1.41 0.00 0.00 57.07 55.35 1x1u s TYR 90 Cb -0.17 -0.52 0.03 0.00 -1.10 0.00 0.00 41.96 40.19 1x1u s TYR 90 CO 0.08 -0.10 0.79 -1.54 -2.51 0.00 0.00 175.55 172.27 1x1u s SER 91 N 0.39 5.28 0.52 -0.18 1.04 -0.54 -1.32 113.70 118.89 1x1u s SER 91 Ca -0.05 0.05 0.21 0.00 0.48 0.00 0.00 55.95 56.64 1x1u s SER 91 Cb -0.09 -0.94 1.37 0.00 0.10 0.00 0.00 66.02 66.46 1x1u s SER 91 CO -0.00 -1.15 2.12 0.77 0.98 0.00 0.00 173.24 175.96 1x1u h SER 92 N 0.04 0.00 -0.62 7.02 4.64 -0.32 0.19 113.55 124.50 1x1u h SER 92 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1x1u h SER 92 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1x1u h SER 92 CO 0.53 0.08 0.00 -0.90 -0.87 0.00 0.00 176.83 175.67 1x1u n ASP 93 N -4.14 5.00 -2.46 4.97 5.75 -1.26 -4.97 116.55 119.45 1x1u n ASP 93 Ca -0.03 -2.58 -0.14 0.00 -0.01 0.00 0.00 54.79 52.03 1x1u n ASP 93 Cb 0.16 -0.61 0.05 0.00 -1.03 0.00 0.00 41.12 39.69 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 0.99 -1.75 -3.26 2.11 7.02 0.06 -5.04 117.44 117.55 1x1u n TRP 94 Ca 0.26 0.63 -0.34 0.00 -1.02 0.00 0.00 57.50 57.04 1x1u n TRP 94 Cb 0.97 -3.60 -0.06 0.00 -2.42 0.00 0.00 31.31 26.20 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 -4.93 4.22 -0.09 -0.99 1.43 -1.26 -4.84 118.68 112.22 1x1u s LEU 95 Ca 0.32 1.16 0.00 0.00 -1.03 0.00 0.00 54.13 54.58 1x1u s LEU 95 Cb -0.14 -3.66 0.02 0.00 0.03 0.00 0.00 46.19 42.44 1x1u s LEU 95 CO 0.46 -0.04 -0.07 -0.63 0.23 0.00 0.00 176.35 176.30 1x1u s ILE 96 N -1.71 0.89 0.40 -0.59 1.01 -0.14 -1.46 121.20 119.59 1x1u s ILE 96 Ca 0.46 -0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.91 1x1u s ILE 96 Cb -0.13 -0.90 -0.06 0.00 0.01 0.00 0.00 42.46 41.38 1x1u s ILE 96 CO 0.20 0.33 0.04 -0.31 0.00 0.00 0.00 174.94 175.19 1x1u s TYR 97 N 1.44 2.17 0.06 3.97 1.51 0.19 -0.70 117.35 125.99 1x1u s TYR 97 Ca -0.01 -0.86 -0.10 0.00 -1.01 0.00 0.00 57.07 55.09 1x1u s TYR 97 Cb -0.13 -1.54 0.00 0.00 -0.11 0.00 0.00 41.96 40.18 1x1u s TYR 97 CO -0.04 0.21 0.21 -1.59 -1.11 0.00 0.00 175.55 173.22 1x1u s LYS 98 N -3.80 0.77 -0.04 -0.62 -2.85 -0.88 0.02 119.74 112.34 1x1u s LYS 98 Ca 0.30 -0.75 -0.03 0.00 -1.00 0.00 0.00 55.97 54.49 1x1u s LYS 98 Cb 0.08 0.32 0.01 0.00 -2.06 0.00 0.00 37.83 36.18 1x1u s LYS 98 CO 0.15 -0.24 0.10 -0.08 0.10 0.00 0.00 175.35 175.38 1x1u s THR 99 N -3.09 -0.00 0.00 3.79 -1.32 -0.54 -2.37 115.64 112.11 1x1u s THR 99 Ca -0.01 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1x1u s THR 99 Cb 0.01 -0.15 0.00 0.00 -1.51 0.00 0.00 72.50 70.86 1x1u s THR 99 CO -0.07 0.01 0.43 0.35 -2.21 0.00 0.00 174.62 173.13 1x1u n THR 100 N 3.12 0.00 -2.24 5.08 -2.24 -1.25 -1.11 114.28 115.64 1x1u n THR 100 Ca -0.13 -0.43 -0.25 0.00 -2.27 0.00 0.00 64.05 60.97 1x1u n THR 100 Cb 0.59 1.14 0.01 0.00 -2.10 0.00 0.00 70.33 69.97 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 -0.00 4.77 -3.65 3.42 3.85 -1.23 -4.59 116.55 119.11 1x1u n ASP 101 Ca 0.00 -3.71 -0.28 0.00 -0.71 0.00 0.00 54.79 50.09 1x1u n ASP 101 Cb 0.03 -0.40 0.03 0.00 -1.35 0.00 0.00 41.12 39.44 1x1u n ASP 101 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.20 177.76 1x1u n HIS 102 N -0.60 -2.01 -1.34 2.11 -0.00 -1.07 -2.63 115.22 109.67 1x1u n HIS 102 Ca 0.41 0.55 -0.12 0.00 -0.00 0.00 0.00 57.72 58.56 1x1u n HIS 102 Cb 0.83 -3.38 -0.05 0.00 -0.00 0.00 0.00 29.99 27.39 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 -3.77 0.00 -0.02 1.57 4.02 -1.26 -4.89 117.16 112.82 1x1u n TYR 103 Ca -0.11 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.61 1x1u n TYR 103 Cb 0.59 -2.64 -0.13 0.00 -0.02 0.00 0.00 39.34 37.14 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 0.16 -6.02 -0.72 4.20 -1.92 -3.46 115.11 107.39 1x1u h GLN 104 Ca -0.24 -0.24 -0.56 0.00 0.06 0.00 0.00 58.65 57.67 1x1u h GLN 104 Cb 1.08 0.08 -0.25 0.00 0.30 0.00 0.00 27.48 28.70 1x1u h GLN 104 CO 0.36 1.06 -0.83 0.99 -0.67 0.00 0.00 178.83 179.73 1x1u s THR 105 N -2.59 1.62 -0.04 -0.54 2.01 -1.26 -5.11 115.64 109.73 1x1u s THR 105 Ca -0.16 -1.23 0.02 0.00 0.31 0.00 0.00 61.69 60.63 1x1u s THR 105 Cb -0.00 -1.42 0.01 0.00 0.01 0.00 0.00 72.50 71.09 1x1u s THR 105 CO 0.76 0.15 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.40 1x1u s PHE 106 N -0.86 0.90 -0.02 4.92 0.08 -1.26 -4.33 117.98 117.42 1x1u s PHE 106 Ca 0.07 -0.25 0.03 0.00 0.12 0.00 0.00 56.93 56.89 1x1u s PHE 106 Cb -0.09 -0.70 -0.00 0.00 -0.57 0.00 0.00 43.02 41.66 1x1u s PHE 106 CO 0.02 -0.15 -0.11 0.95 -0.10 0.00 0.00 175.22 175.83 1x1u s THR 107 N 0.53 0.93 0.23 0.64 -4.23 -1.00 -4.93 115.64 107.81 1x1u s THR 107 Ca -0.08 -0.46 -0.30 0.00 -1.18 0.00 0.00 61.69 59.66 1x1u s THR 107 Cb -0.12 -0.81 -0.10 0.00 1.34 0.00 0.00 72.50 72.82 1x1u s THR 107 CO 0.01 0.28 1.48 -0.75 -0.54 0.00 0.00 174.62 175.10 1x1u s LYS 108 N 0.03 4.24 0.00 3.99 2.20 -1.26 -2.08 119.74 126.86 1x1u s LYS 108 Ca -0.01 2.34 0.00 0.00 -0.36 0.00 0.00 55.97 57.94 1x1u s LYS 108 Cb -0.08 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1x1u s LYS 108 CO 0.00 -0.48 0.18 0.44 -0.36 0.00 0.00 175.35 175.13 1x1u n ILE 109 N 2.73 0.00 -0.91 5.43 -5.35 0.12 -4.95 119.36 116.43 1x1u n ILE 109 Ca 0.09 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 1x1u n ILE 109 Cb 0.40 1.15 0.00 0.00 -1.74 0.00 0.00 39.64 39.45 1x1u n ILE 109 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65