#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kch s ILE 4 N 0.00 4.94 0.00 1.34 1.01 -1.26 -4.89 121.20 122.35 3kch s ILE 4 Ca 0.00 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.91 3kch s ILE 4 Cb 0.00 -3.77 0.06 0.00 0.01 0.00 0.00 42.46 38.76 3kch s ILE 4 CO 0.00 -0.29 0.90 -0.46 0.00 0.00 0.00 174.94 175.09 3kch n ASN 5 N 5.09 0.08 -4.96 3.58 6.94 -1.26 -4.81 115.26 119.92 3kch n ASN 5 Ca -0.11 -1.76 -0.23 0.00 -0.02 0.00 0.00 54.58 52.46 3kch n ASN 5 Cb 0.46 -0.13 -0.02 0.00 -2.36 0.00 0.00 39.78 37.73 3kch n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3kch s THR 6 N 0.00 5.25 0.15 5.53 -4.23 -1.26 -1.09 115.64 119.99 3kch s THR 6 Ca 0.05 -0.82 -0.23 0.00 -1.18 0.00 0.00 61.69 59.52 3kch s THR 6 Cb 0.06 -3.83 0.02 0.00 1.34 0.00 0.00 72.50 70.09 3kch s THR 6 CO -0.02 -0.29 1.63 -0.26 -0.54 0.00 0.00 174.62 175.14 3kch h PHE 7 N 1.39 -0.61 -0.22 3.99 0.04 -1.98 -0.91 116.94 118.63 3kch h PHE 7 Ca -0.51 0.04 -0.10 0.00 2.80 0.00 0.00 57.97 60.20 3kch h PHE 7 Cb 1.22 0.30 -0.00 0.00 2.20 0.00 0.00 35.95 39.67 3kch h PHE 7 CO 0.48 -0.31 -0.25 -0.44 -0.60 0.00 0.00 178.31 177.19 3kch h ASP 8 N -0.25 0.61 -0.66 2.17 3.32 -1.99 -1.34 116.42 118.29 3kch h ASP 8 Ca 0.13 -0.49 -0.04 0.00 0.02 0.00 0.00 57.03 56.65 3kch h ASP 8 Cb 0.44 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 3kch h ASP 8 CO -0.36 0.97 0.26 1.23 -1.72 0.00 0.00 179.24 179.63 3kch h GLY 9 N 0.25 1.06 1.26 2.75 0.00 -1.95 -1.02 103.07 105.42 3kch h GLY 9 Ca 0.03 -0.58 -0.19 0.00 0.00 0.00 0.00 47.33 46.59 3kch h GLY 9 CO 0.06 0.54 -0.60 -2.08 0.00 0.00 0.00 176.54 174.46 3kch h VAL 10 N 0.93 1.29 -0.32 4.60 2.07 -1.16 -1.99 116.25 121.67 3kch h VAL 10 Ca 0.22 -1.81 0.02 0.00 0.82 0.00 0.00 66.70 65.95 3kch h VAL 10 Cb 0.21 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 3kch h VAL 10 CO -0.02 0.58 0.15 0.00 0.02 0.00 0.00 177.57 178.30 3kch h ALA 11 N 0.74 0.38 -0.19 1.67 0.00 -1.05 -0.81 119.26 120.00 3kch h ALA 11 Ca -0.00 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 3kch h ALA 11 Cb 1.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3kch h ALA 11 CO 0.13 -0.23 -0.52 -0.44 0.00 0.00 0.00 179.25 178.18 3kch h ASP 12 N 0.31 0.59 -0.36 0.00 3.32 -1.15 -2.44 116.42 116.69 3kch h ASP 12 Ca 0.13 -0.30 0.01 0.00 0.02 0.00 0.00 57.03 56.90 3kch h ASP 12 Cb 0.06 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3kch h ASP 12 CO -0.10 1.00 0.21 0.22 -1.72 0.00 0.00 179.24 178.85 3kch h TYR 13 N 0.42 0.40 -0.31 4.55 5.03 -1.11 -2.42 116.97 123.53 3kch h TYR 13 Ca 0.01 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.33 3kch h TYR 13 Cb 1.05 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 39.19 3kch h TYR 13 CO 0.04 0.23 0.18 -0.07 -1.32 0.00 0.00 178.16 177.23 3kch h LEU 14 N 0.43 0.37 -1.35 2.82 3.38 -1.03 0.31 115.31 120.25 3kch h LEU 14 Ca 0.14 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3kch h LEU 14 Cb 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3kch h LEU 14 CO -0.07 0.32 -0.29 1.56 0.09 0.00 0.00 178.44 180.06 3kch h GLN 15 N 0.39 0.00 0.04 1.13 4.20 -1.33 0.21 115.11 119.75 3kch h GLN 15 Ca 0.11 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.50 3kch h GLN 15 Cb 0.02 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3kch h GLN 15 CO -0.02 0.29 -1.75 2.41 -0.67 0.00 0.00 178.83 179.08 3kch n THR 16 N -3.75 1.62 0.76 -0.54 -1.04 -0.92 -4.58 114.28 105.82 3kch n THR 16 Ca -0.01 -0.33 0.08 0.00 -2.04 0.00 0.00 64.05 61.75 3kch n THR 16 Cb 0.39 -1.87 -0.09 0.00 -1.82 0.00 0.00 70.33 66.94 3kch n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3kch n TYR 17 N -4.00 0.00 -2.68 -1.42 4.01 0.11 -4.98 117.16 108.19 3kch n TYR 17 Ca -0.36 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.19 3kch n TYR 17 Cb 0.86 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.90 3kch n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3kch n HIS 18 N -1.34 -1.38 -3.84 -0.72 8.25 0.72 -4.97 115.22 111.93 3kch n HIS 18 Ca 0.03 0.27 -0.05 0.00 -0.26 0.00 0.00 57.72 57.71 3kch n HIS 18 Cb 0.25 -3.94 0.01 0.00 1.12 0.00 0.00 29.99 27.43 3kch n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 3kch s LYS 19 N -5.30 1.55 0.50 -0.41 -2.85 -1.26 -5.05 119.74 106.93 3kch s LYS 19 Ca 0.15 -0.97 -0.17 0.00 -1.00 0.00 0.00 55.97 53.98 3kch s LYS 19 Cb -0.07 0.45 -0.08 0.00 -2.06 0.00 0.00 37.83 36.07 3kch s LYS 19 CO 0.19 -0.72 0.98 -0.51 0.10 0.00 0.00 175.35 175.39 3kch s LEU 20 N -3.22 3.68 1.05 2.77 1.43 -1.26 -4.14 118.68 118.99 3kch s LEU 20 Ca 0.18 1.59 -0.13 0.00 -1.03 0.00 0.00 54.13 54.74 3kch s LEU 20 Cb -0.03 -4.51 0.15 0.00 0.03 0.00 0.00 46.19 41.83 3kch s LEU 20 CO 0.06 -0.55 0.67 -2.65 0.23 0.00 0.00 176.35 174.11 3kch n PRO 21 N -1.41 -1.27 0.01 1.29 -0.02 -1.26 -4.88 135.00 127.46 3kch n PRO 21 Ca 0.07 -0.33 0.08 0.00 -2.02 0.00 0.00 63.50 61.30 3kch n PRO 21 Cb 0.54 -2.03 0.37 0.00 -0.02 0.00 0.00 33.50 32.36 3kch n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3kch n ASP 22 N -3.16 0.05 -0.35 2.55 8.00 -1.26 -2.79 116.55 119.59 3kch n ASP 22 Ca 0.05 0.51 0.02 0.00 0.71 0.00 0.00 54.79 56.09 3kch n ASP 22 Cb 0.55 -0.52 0.06 0.00 -0.02 0.00 0.00 41.12 41.19 3kch n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3kch n ASN 23 N -1.56 0.96 -4.63 -2.24 6.94 -1.26 -4.83 115.26 108.64 3kch n ASN 23 Ca 0.04 -2.04 -0.34 0.00 -0.02 0.00 0.00 54.58 52.22 3kch n ASN 23 Cb 0.20 -0.19 -0.10 0.00 -2.36 0.00 0.00 39.78 37.34 3kch n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 3kch s TYR 24 N -1.71 3.03 0.04 -2.53 2.02 -1.12 -0.40 117.35 116.68 3kch s TYR 24 Ca 0.09 0.08 0.02 0.00 -0.37 0.00 0.00 57.07 56.89 3kch s TYR 24 Cb 0.05 -1.72 -0.02 0.00 -0.40 0.00 0.00 41.96 39.87 3kch s TYR 24 CO 0.05 0.40 -0.06 0.96 -1.57 0.00 0.00 175.55 175.33 3kch s ILE 25 N -0.88 0.41 0.86 2.71 -4.36 -0.05 -4.91 121.20 114.97 3kch s ILE 25 Ca 0.14 -1.03 -0.12 0.00 -0.26 0.00 0.00 60.65 59.38 3kch s ILE 25 Cb -0.11 -0.51 0.11 0.00 1.25 0.00 0.00 42.46 43.20 3kch s ILE 25 CO 0.03 -0.42 1.10 0.42 0.24 0.00 0.00 174.94 176.31 3kch s THR 26 N -1.42 2.68 0.35 8.37 -4.23 -1.20 -0.98 115.64 119.20 3kch s THR 26 Ca -0.12 0.22 0.05 0.00 -1.18 0.00 0.00 61.69 60.66 3kch s THR 26 Cb -0.10 -2.88 0.18 0.00 1.34 0.00 0.00 72.50 71.04 3kch s THR 26 CO -0.00 -0.29 1.91 0.11 -0.54 0.00 0.00 174.62 175.81 3kch h LYS 27 N -1.34 0.55 -0.35 3.99 1.57 -1.97 -0.98 116.57 118.04 3kch h LYS 27 Ca -0.49 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.16 3kch h LYS 27 Cb 1.29 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 3kch h LYS 27 CO 0.59 0.53 0.10 0.77 -0.57 0.00 0.00 179.45 180.86 3kch h SER 28 N 0.54 0.52 -0.67 0.86 0.02 -1.99 -0.53 113.55 112.31 3kch h SER 28 Ca 0.12 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 3kch h SER 28 Cb 0.24 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 3kch h SER 28 CO 0.00 0.61 0.34 -0.33 -1.14 0.00 0.00 176.83 176.31 3kch h GLU 29 N 0.42 0.94 -0.15 3.45 5.08 -1.83 -1.96 114.58 120.53 3kch h GLU 29 Ca 0.11 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3kch h GLU 29 Cb 0.28 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3kch h GLU 29 CO -0.00 0.73 -0.01 0.00 -1.00 0.00 0.00 179.01 178.72 3kch h ALA 30 N 1.16 0.12 -0.33 3.43 0.00 -1.05 -2.70 119.26 119.90 3kch h ALA 30 Ca 0.23 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3kch h ALA 30 Cb 0.08 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3kch h ALA 30 CO -0.03 -0.46 0.02 1.96 0.00 0.00 0.00 179.25 180.74 3kch h GLN 31 N 0.03 0.50 0.00 0.00 4.20 -0.92 0.11 115.11 119.02 3kch h GLN 31 Ca 0.07 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3kch h GLN 31 Cb 0.09 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 3kch h GLN 31 CO -0.13 0.51 -0.02 0.00 -0.67 0.00 0.00 178.83 178.52 3kch h ALA 32 N 1.54 1.07 -0.00 3.87 0.00 -1.05 -1.88 119.26 122.80 3kch h ALA 32 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kch h ALA 32 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3kch h ALA 32 CO 0.01 0.03 -0.40 1.28 0.00 0.00 0.00 179.25 180.17 3kch n LEU 33 N -3.21 0.72 0.00 0.00 4.77 0.31 -4.91 117.00 114.67 3kch n LEU 33 Ca -0.02 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3kch n LEU 33 Cb 0.18 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3kch n LEU 33 CO 0.24 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3kch n GLY 34 N 1.43 1.12 3.72 -0.72 0.00 -0.71 -4.96 105.19 105.08 3kch n GLY 34 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3kch n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kch s TRP 35 N -2.00 3.07 -0.32 1.61 -0.00 -0.85 -4.95 118.94 115.50 3kch s TRP 35 Ca 0.00 0.73 0.03 0.00 -0.00 0.00 0.00 56.10 56.87 3kch s TRP 35 Cb 0.00 -3.89 0.09 0.00 -0.00 0.00 0.00 33.47 29.67 3kch s TRP 35 CO 0.00 -3.18 0.01 0.08 -0.00 0.00 0.00 176.95 173.86 3kch s VAL 36 N 0.91 2.29 0.28 5.86 1.01 -1.26 -4.59 120.40 124.90 3kch s VAL 36 Ca 0.67 -2.14 0.02 0.00 0.00 0.00 0.00 61.98 60.53 3kch s VAL 36 Cb -0.43 -2.60 0.27 0.00 0.00 0.00 0.00 36.38 33.62 3kch s VAL 36 CO 0.33 -0.45 1.74 0.00 0.00 0.00 0.00 175.10 176.73 3kch h ALA 37 N 7.67 1.42 0.00 5.51 0.00 -1.99 0.22 119.26 132.08 3kch h ALA 37 Ca -0.08 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kch h ALA 37 Cb 1.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3kch h ALA 37 CO 0.51 -0.16 0.00 0.43 0.00 0.00 0.00 179.25 180.03 3kch n SER 38 N -4.90 0.22 -0.00 0.00 7.64 -1.26 -1.70 113.62 113.62 3kch n SER 38 Ca 0.20 0.56 0.09 0.00 1.01 0.00 0.00 58.87 60.73 3kch n SER 38 Cb 0.54 -0.61 -0.13 0.00 -1.01 0.00 0.00 64.21 63.00 3kch n SER 38 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3kch n LYS 39 N -1.75 0.73 -3.35 1.43 5.02 0.73 -5.01 118.16 115.95 3kch n LYS 39 Ca 0.02 -0.09 -0.18 0.00 -2.02 0.00 0.00 58.31 56.03 3kch n LYS 39 Cb 0.16 -1.41 0.06 0.00 -0.02 0.00 0.00 35.03 33.82 3kch n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kch n GLY 40 N 1.43 -0.23 0.93 0.72 0.00 -0.69 -4.85 105.19 102.50 3kch n GLY 40 Ca -0.00 0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.15 3kch n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kch n ASN 41 N -2.14 3.85 -0.23 1.61 6.94 -1.26 -3.73 115.26 120.30 3kch n ASN 41 Ca -0.02 -2.82 -0.04 0.00 -0.02 0.00 0.00 54.58 51.68 3kch n ASN 41 Cb 0.56 -0.50 0.07 0.00 -2.36 0.00 0.00 39.78 37.55 3kch n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 3kch h LEU 42 N 2.03 0.67 -1.55 -4.53 5.85 -1.89 -1.16 115.31 114.74 3kch h LEU 42 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3kch h LEU 42 Cb 1.35 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 3kch h LEU 42 CO 0.20 0.47 -0.17 0.00 -0.34 0.00 0.00 178.44 178.59 3kch h ALA 43 N 1.29 1.15 -0.17 1.25 0.00 -1.84 0.18 119.26 121.13 3kch h ALA 43 Ca 0.27 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3kch h ALA 43 Cb 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kch h ALA 43 CO -0.11 0.22 -0.26 -0.44 0.00 0.00 0.00 179.25 178.67 3kch h ASP 44 N 0.00 0.51 0.53 0.00 3.32 -1.58 -3.09 116.42 116.11 3kch h ASP 44 Ca -0.00 -0.53 -0.29 0.00 0.02 0.00 0.00 57.03 56.23 3kch h ASP 44 Cb 0.53 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 3kch h ASP 44 CO 0.02 0.94 -1.40 -0.37 -1.72 0.00 0.00 179.24 176.71 3kch h VAL 45 N 0.10 1.31 -2.48 -1.35 -1.51 -1.00 -3.41 116.25 107.91 3kch h VAL 45 Ca 0.02 -2.92 -0.59 0.00 -1.23 0.00 0.00 66.70 61.97 3kch h VAL 45 Cb 0.83 2.85 -0.39 0.00 -2.13 0.00 0.00 31.29 32.44 3kch h VAL 45 CO 0.06 0.85 -0.87 0.00 -1.23 0.00 0.00 177.57 176.38 3kch n ALA 46 N -2.60 3.02 -1.72 5.19 0.00 0.61 -5.04 120.51 119.98 3kch n ALA 46 Ca -0.13 -3.61 -0.43 0.00 0.00 0.00 0.00 53.44 49.28 3kch n ALA 46 Cb 1.04 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 19.63 3kch n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3kch n PRO 47 N 2.30 2.48 -0.17 0.00 -0.02 -1.17 -1.94 135.00 136.48 3kch n PRO 47 Ca 0.26 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.63 3kch n PRO 47 Cb 0.45 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 3kch n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kch n GLY 48 N 2.39 1.37 3.92 -1.23 0.00 -1.26 -5.03 105.19 105.34 3kch n GLY 48 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3kch n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kch s LYS 49 N -0.45 3.50 0.17 1.61 -0.14 -0.82 -4.80 119.74 118.80 3kch s LYS 49 Ca 0.00 -0.35 0.10 0.00 -1.36 0.00 0.00 55.97 54.36 3kch s LYS 49 Cb 0.00 -2.96 -0.04 0.00 -1.68 0.00 0.00 37.83 33.15 3kch s LYS 49 CO 0.00 0.54 -0.22 -1.12 -0.76 0.00 0.00 175.35 173.79 3kch s SER 50 N -2.65 3.03 0.16 2.83 0.01 0.47 -4.84 113.70 112.72 3kch s SER 50 Ca 0.37 -0.83 -0.30 0.00 1.31 0.00 0.00 55.95 56.49 3kch s SER 50 Cb -0.12 -0.20 -0.08 0.00 0.21 0.00 0.00 66.02 65.82 3kch s SER 50 CO 0.27 0.06 1.33 -0.63 0.41 0.00 0.00 173.24 174.68 3kch s ILE 51 N -1.70 3.30 -0.30 1.44 -1.09 -1.26 -0.87 121.20 120.72 3kch s ILE 51 Ca 0.17 1.01 -0.35 0.00 -2.23 0.00 0.00 60.65 59.24 3kch s ILE 51 Cb -0.08 -3.65 0.17 0.00 -1.58 0.00 0.00 42.46 37.33 3kch s ILE 51 CO 0.08 0.12 1.40 -0.83 -1.23 0.00 0.00 174.94 174.47 3kch s GLY 52 N 0.64 -0.08 0.00 6.18 0.00 -0.15 -0.08 107.32 113.83 3kch s GLY 52 Ca 0.59 2.29 0.00 0.00 0.00 0.00 0.00 44.72 47.60 3kch s GLY 52 CO 0.35 0.81 0.00 0.61 0.00 0.00 0.00 173.10 174.87 3kch n GLY 53 N 0.18 1.40 3.78 0.20 0.00 0.11 -3.27 105.19 107.59 3kch n GLY 53 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3kch n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kch s ASP 54 N -1.97 6.50 0.26 1.61 1.01 -1.23 -4.74 116.67 118.11 3kch s ASP 54 Ca 0.00 2.10 -0.30 0.00 0.71 0.00 0.00 52.55 55.07 3kch s ASP 54 Cb 0.00 -2.59 -0.10 0.00 1.01 0.00 0.00 42.92 41.25 3kch s ASP 54 CO 0.00 -0.67 1.33 -0.63 0.21 0.00 0.00 175.17 175.41 3kch s ILE 55 N -1.67 2.92 -0.22 0.77 1.01 -1.26 -1.71 121.20 121.04 3kch s ILE 55 Ca 0.61 0.82 -0.07 0.00 0.00 0.00 0.00 60.65 62.01 3kch s ILE 55 Cb -0.23 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 3kch s ILE 55 CO 0.28 0.15 0.06 0.12 0.00 0.00 0.00 174.94 175.56 3kch s PHE 56 N -0.40 3.15 0.15 3.97 5.36 0.63 -4.85 117.98 125.99 3kch s PHE 56 Ca 0.54 -0.19 0.24 0.00 -0.96 0.00 0.00 56.93 56.56 3kch s PHE 56 Cb -0.39 -2.15 0.93 0.00 -0.34 0.00 0.00 43.02 41.06 3kch s PHE 56 CO 0.44 -0.12 1.83 0.66 -1.46 0.00 0.00 175.22 176.58 3kch h SER 57 N 7.49 0.00 -6.14 6.13 4.64 -1.95 -3.39 113.55 120.33 3kch h SER 57 Ca -0.37 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.53 3kch h SER 57 Cb 1.18 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.31 3kch h SER 57 CO 0.63 0.23 -0.84 -3.20 -0.87 0.00 0.00 176.83 172.78 3kch n ASN 58 N -3.42 -1.05 -0.17 4.97 5.15 -1.26 -4.89 115.26 114.58 3kch n ASN 58 Ca -0.00 -0.84 -0.06 0.00 -0.60 0.00 0.00 54.58 53.08 3kch n ASN 58 Cb 0.43 -3.93 0.11 0.00 -0.53 0.00 0.00 39.78 35.85 3kch n ASN 58 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 3kch h ARG 59 N -1.86 0.95 -0.14 1.20 2.43 -2.00 -2.69 114.38 112.27 3kch h ARG 59 Ca -0.61 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.31 3kch h ARG 59 Cb 1.36 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3kch h ARG 59 CO 0.57 0.90 0.00 0.39 -1.51 0.00 0.00 179.97 180.32 3kch n GLU 60 N -4.22 1.57 -2.81 0.20 1.02 -1.26 -4.92 120.64 110.22 3kch n GLU 60 Ca 0.04 -0.86 -0.20 0.00 -0.02 0.00 0.00 57.16 56.12 3kch n GLU 60 Cb 0.29 -1.35 0.01 0.00 -0.02 0.00 0.00 31.44 30.36 3kch n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kch n GLY 61 N 1.04 -0.51 0.15 0.62 0.00 -1.02 -4.89 105.19 100.59 3kch n GLY 61 Ca 0.15 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.36 3kch n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kch h LYS 62 N -0.70 0.00 -5.85 1.61 1.57 -1.91 -3.44 116.57 107.84 3kch h LYS 62 Ca -0.46 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.69 3kch h LYS 62 Cb 1.33 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.58 3kch h LYS 62 CO 0.53 0.00 -0.44 -0.51 -0.57 0.00 0.00 179.45 178.46 3kch s LEU 63 N -5.36 4.37 0.15 2.94 1.43 -1.26 -4.93 118.68 116.01 3kch s LEU 63 Ca 0.07 0.45 -0.31 0.00 -1.03 0.00 0.00 54.13 53.30 3kch s LEU 63 Cb 0.09 -2.64 -0.09 0.00 0.03 0.00 0.00 46.19 43.58 3kch s LEU 63 CO 0.68 0.26 1.50 -2.16 0.23 0.00 0.00 176.35 176.86 3kch s PRO 64 N -1.85 4.25 0.35 1.29 0.04 -1.26 -4.98 135.00 132.84 3kch s PRO 64 Ca 0.27 2.25 -0.05 0.00 0.04 0.00 0.00 61.00 63.51 3kch s PRO 64 Cb -0.13 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 3kch s PRO 64 CO 0.17 -0.54 0.63 0.20 0.04 0.00 0.00 177.00 177.50 3kch s GLY 65 N 1.13 1.75 -0.24 0.56 0.00 -1.26 -5.08 107.32 104.18 3kch s GLY 65 Ca 0.68 -0.53 -0.27 0.00 0.00 0.00 0.00 44.72 44.61 3kch s GLY 65 CO 0.31 -0.40 1.00 1.25 0.00 0.00 0.00 173.10 175.26 3kch s LYS 66 N -3.90 0.56 0.06 2.90 2.20 -1.26 -5.07 119.74 115.22 3kch s LYS 66 Ca 0.45 0.47 -0.34 0.00 -0.36 0.00 0.00 55.97 56.20 3kch s LYS 66 Cb -0.10 0.27 -0.13 0.00 -1.51 0.00 0.00 37.83 36.36 3kch s LYS 66 CO 0.33 -0.11 1.69 0.45 -0.36 0.00 0.00 175.35 177.35 3kch n SER 67 N 1.77 3.18 -0.40 1.43 2.88 -1.26 -0.74 113.62 120.47 3kch n SER 67 Ca -0.12 1.04 -0.05 0.00 -1.33 0.00 0.00 58.87 58.41 3kch n SER 67 Cb 0.56 -1.40 -0.02 0.00 -0.75 0.00 0.00 64.21 62.60 3kch n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kch n GLY 68 N 3.77 0.76 3.70 0.46 0.00 -1.26 -5.00 105.19 107.61 3kch n GLY 68 Ca 0.19 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 3kch n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kch s ARG 69 N -2.02 4.17 0.14 1.61 3.52 0.08 -4.94 118.95 121.52 3kch s ARG 69 Ca 0.00 -0.09 0.11 0.00 -0.13 0.00 0.00 55.73 55.62 3kch s ARG 69 Cb 0.00 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 3kch s ARG 69 CO 0.00 0.16 -0.25 0.95 -0.81 0.00 0.00 175.30 175.35 3kch s THR 70 N 0.75 2.21 -0.06 4.11 -4.23 -1.26 -4.78 115.64 112.37 3kch s THR 70 Ca 0.12 -1.81 0.02 0.00 -1.18 0.00 0.00 61.69 58.83 3kch s THR 70 Cb -0.13 -1.98 -0.03 0.00 1.34 0.00 0.00 72.50 71.71 3kch s THR 70 CO 0.03 0.01 -0.10 0.26 -0.54 0.00 0.00 174.62 174.28 3kch s TRP 71 N -1.26 2.85 0.24 3.99 0.52 -1.26 -1.64 118.94 122.38 3kch s TRP 71 Ca 0.15 -0.07 0.06 0.00 0.02 0.00 0.00 56.10 56.26 3kch s TRP 71 Cb -0.09 -1.69 -0.05 0.00 -1.15 0.00 0.00 33.47 30.48 3kch s TRP 71 CO 0.07 0.26 -0.06 1.03 0.02 0.00 0.00 176.95 178.26 3kch s ARG 72 N -0.72 1.41 0.13 4.98 0.52 0.04 -0.27 118.95 125.04 3kch s ARG 72 Ca 0.11 -1.69 0.05 0.00 -0.52 0.00 0.00 55.73 53.68 3kch s ARG 72 Cb -0.11 -0.95 -0.04 0.00 0.52 0.00 0.00 34.95 34.37 3kch s ARG 72 CO 0.01 0.02 -0.12 -1.83 0.02 0.00 0.00 175.30 173.40 3kch s GLU 73 N -3.76 1.03 -0.05 3.54 -1.05 -0.69 -0.49 118.70 117.24 3kch s GLU 73 Ca 0.27 -1.31 -0.10 0.00 -0.15 0.00 0.00 54.97 53.68 3kch s GLU 73 Cb 0.03 -0.79 0.02 0.00 -0.44 0.00 0.00 34.13 32.96 3kch s GLU 73 CO 0.09 0.13 0.23 0.00 0.95 0.00 0.00 175.26 176.67 3kch s ALA 74 N -2.56 -0.58 0.40 -0.84 0.00 -0.24 0.10 121.76 118.03 3kch s ALA 74 Ca 0.11 0.37 -0.25 0.00 0.00 0.00 0.00 51.96 52.20 3kch s ALA 74 Cb -0.02 -0.14 -0.09 0.00 0.00 0.00 0.00 23.12 22.87 3kch s ALA 74 CO 0.02 -0.18 1.14 -0.51 0.00 0.00 0.00 175.76 176.23 3kch s ASP 75 N -0.67 6.61 0.08 0.00 1.11 0.88 -0.54 116.67 124.14 3kch s ASP 75 Ca -0.08 2.27 0.09 0.00 0.18 0.00 0.00 52.55 55.01 3kch s ASP 75 Cb -0.04 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.31 3kch s ASP 75 CO 0.02 -0.61 -0.23 -0.63 1.18 0.00 0.00 175.17 174.90 3kch s ILE 76 N -1.46 1.88 -1.88 0.77 -1.09 -0.67 -4.74 121.20 114.00 3kch s ILE 76 Ca 0.57 -1.48 0.00 0.00 -2.23 0.00 0.00 60.65 57.51 3kch s ILE 76 Cb -0.29 -1.66 0.00 0.00 -1.58 0.00 0.00 42.46 38.93 3kch s ILE 76 CO 0.36 0.10 0.00 0.59 -1.23 0.00 0.00 174.94 174.76 3kch n ASN 77 N 1.34 -5.23 -4.75 3.58 3.02 -0.25 -4.54 115.26 108.43 3kch n ASN 77 Ca -0.18 0.37 -0.39 0.00 -0.03 0.00 0.00 54.58 54.35 3kch n ASN 77 Cb 0.53 -4.34 -0.05 0.00 -0.61 0.00 0.00 39.78 35.31 3kch n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3kch s TYR 78 N -2.72 3.68 0.00 3.10 5.04 -1.26 -4.92 117.35 120.26 3kch s TYR 78 Ca 0.00 1.25 0.00 0.00 -2.44 0.00 0.00 57.07 55.88 3kch s TYR 78 Cb 0.00 -2.67 0.00 0.00 0.35 0.00 0.00 41.96 39.64 3kch s TYR 78 CO 0.00 0.31 0.00 0.25 -1.34 0.00 0.00 175.55 174.77 3kch n THR 79 N 2.87 0.00 -3.60 4.34 -2.24 -1.26 -4.92 114.28 109.46 3kch n THR 79 Ca -0.05 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.65 3kch n THR 79 Cb 0.51 -0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 68.32 3kch n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kch s SER 80 N -3.44 -0.34 0.00 3.42 1.04 -1.26 -4.72 113.70 108.40 3kch s SER 80 Ca 0.00 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.24 3kch s SER 80 Cb 0.00 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3kch s SER 80 CO 0.00 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 173.97 3kch n GLY 81 N -0.36 -1.79 3.73 7.32 0.00 -1.24 -4.90 105.19 107.95 3kch n GLY 81 Ca -0.09 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 3kch n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kch s PHE 82 N 0.00 2.03 0.59 1.61 0.08 -1.25 -4.39 117.98 116.66 3kch s PHE 82 Ca 0.00 1.51 -0.20 0.00 0.12 0.00 0.00 56.93 58.36 3kch s PHE 82 Cb 0.00 -3.67 -0.03 0.00 -0.57 0.00 0.00 43.02 38.75 3kch s PHE 82 CO 0.00 -2.93 1.30 1.03 -0.10 0.00 0.00 175.22 174.53 3kch s ARG 83 N -3.49 2.87 0.00 0.44 0.52 -1.26 -5.01 118.95 113.02 3kch s ARG 83 Ca 0.81 2.09 0.00 0.00 -0.52 0.00 0.00 55.73 58.12 3kch s ARG 83 Cb -0.36 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.07 3kch s ARG 83 CO 0.41 -1.36 0.00 0.27 0.02 0.00 0.00 175.30 174.65 3kch n ASN 84 N -1.48 0.00 -1.01 0.23 0.23 -1.26 -5.02 115.26 106.95 3kch n ASN 84 Ca 0.13 -0.19 0.10 0.00 -0.53 0.00 0.00 54.58 54.10 3kch n ASN 84 Cb 0.47 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 38.35 3kch n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3kch n SER 85 N -0.56 3.22 -4.75 0.53 3.41 -1.26 -4.90 113.62 109.32 3kch n SER 85 Ca 0.00 -1.93 -0.35 0.00 -0.26 0.00 0.00 58.87 56.32 3kch n SER 85 Cb 0.00 -0.21 -0.08 0.00 -0.26 0.00 0.00 64.21 63.66 3kch n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3kch s ASP 86 N -1.39 6.21 0.00 4.04 1.01 -1.26 -2.06 116.67 123.22 3kch s ASP 86 Ca 0.34 0.26 -0.03 0.00 0.71 0.00 0.00 52.55 53.82 3kch s ASP 86 Cb 0.20 -2.08 -0.01 0.00 1.01 0.00 0.00 42.92 42.04 3kch s ASP 86 CO 0.28 0.21 0.04 -0.13 0.21 0.00 0.00 175.17 175.78 3kch s ARG 87 N 0.18 0.30 -0.09 8.23 1.81 -0.32 -1.67 118.95 127.40 3kch s ARG 87 Ca 0.09 -0.38 -0.06 0.00 -1.72 0.00 0.00 55.73 53.66 3kch s ARG 87 Cb -0.11 0.12 -0.04 0.00 -0.45 0.00 0.00 34.95 34.47 3kch s ARG 87 CO -0.01 -0.06 0.15 -1.50 -0.68 0.00 0.00 175.30 173.20 3kch s ILE 88 N -1.08 5.47 -0.17 1.52 2.07 0.30 -1.25 121.20 128.07 3kch s ILE 88 Ca -0.12 0.09 0.01 0.00 -1.41 0.00 0.00 60.65 59.23 3kch s ILE 88 Cb -0.07 -3.43 0.02 0.00 0.13 0.00 0.00 42.46 39.10 3kch s ILE 88 CO 0.00 0.53 -0.20 -0.76 -1.91 0.00 0.00 174.94 172.60 3kch s LEU 89 N -1.30 2.11 -0.01 8.50 2.01 0.17 -1.08 118.68 129.08 3kch s LEU 89 Ca 0.19 -0.63 0.04 0.00 0.01 0.00 0.00 54.13 53.74 3kch s LEU 89 Cb -0.12 -1.46 -0.01 0.00 0.01 0.00 0.00 46.19 44.61 3kch s LEU 89 CO 0.08 0.02 -0.13 -0.72 1.01 0.00 0.00 176.35 176.62 3kch s TYR 90 N 1.16 1.15 0.39 0.29 1.13 0.36 0.07 117.35 121.90 3kch s TYR 90 Ca 0.02 -0.22 0.06 0.00 -1.41 0.00 0.00 57.07 55.51 3kch s TYR 90 Cb -0.14 -0.73 -0.00 0.00 -1.10 0.00 0.00 41.96 39.99 3kch s TYR 90 CO -0.10 -0.02 0.55 -1.54 -2.51 0.00 0.00 175.55 171.93 3kch s SER 91 N -0.35 5.83 0.37 -0.18 1.04 -0.52 -0.78 113.70 119.11 3kch s SER 91 Ca 0.05 -0.16 0.27 0.00 0.48 0.00 0.00 55.95 56.60 3kch s SER 91 Cb -0.05 -1.12 1.17 0.00 0.10 0.00 0.00 66.02 66.12 3kch s SER 91 CO -0.00 -0.60 1.82 0.77 0.98 0.00 0.00 173.24 176.20 3kch h SER 92 N 0.70 0.00 -0.31 7.02 4.64 -1.66 -0.97 113.55 122.97 3kch h SER 92 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3kch h SER 92 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3kch h SER 92 CO 0.52 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.58 3kch n ASP 93 N -2.54 4.16 -0.68 4.97 5.75 -1.26 -4.99 116.55 121.95 3kch n ASP 93 Ca 0.01 -3.00 -0.06 0.00 -0.01 0.00 0.00 54.79 51.73 3kch n ASP 93 Cb 0.24 -0.57 -0.01 0.00 -1.03 0.00 0.00 41.12 39.76 3kch n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3kch n TRP 94 N -0.34 -0.25 -2.11 2.11 7.02 -0.37 -5.02 117.44 118.49 3kch n TRP 94 Ca 0.22 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.29 3kch n TRP 94 Cb 0.94 -1.82 -0.03 0.00 -2.42 0.00 0.00 31.31 27.98 3kch n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 3kch s LEU 95 N -1.76 4.41 -0.11 -0.99 1.43 -1.26 -4.87 118.68 115.53 3kch s LEU 95 Ca 0.00 2.57 0.03 0.00 -1.03 0.00 0.00 54.13 55.70 3kch s LEU 95 Cb 0.00 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.61 3kch s LEU 95 CO 0.00 -0.61 -0.20 -0.63 0.23 0.00 0.00 176.35 175.14 3kch s ILE 96 N -0.14 1.82 0.27 -0.59 -1.09 -1.26 -1.44 121.20 118.76 3kch s ILE 96 Ca 0.57 -0.85 0.11 0.00 -2.23 0.00 0.00 60.65 58.24 3kch s ILE 96 Cb -0.39 -1.61 -0.05 0.00 -1.58 0.00 0.00 42.46 38.83 3kch s ILE 96 CO 0.43 0.50 -0.18 -0.31 -1.23 0.00 0.00 174.94 174.16 3kch s TYR 97 N 0.68 2.17 0.11 3.97 1.51 0.11 -0.59 117.35 125.31 3kch s TYR 97 Ca -0.12 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 55.61 3kch s TYR 97 Cb -0.16 -0.98 -0.03 0.00 -0.11 0.00 0.00 41.96 40.67 3kch s TYR 97 CO 0.02 0.62 -0.17 -1.59 -1.11 0.00 0.00 175.55 173.33 3kch s LYS 98 N -3.55 1.03 -0.00 -0.62 -2.85 0.20 -0.66 119.74 113.29 3kch s LYS 98 Ca 0.29 -1.16 0.02 0.00 -1.00 0.00 0.00 55.97 54.12 3kch s LYS 98 Cb -0.03 -1.11 -0.01 0.00 -2.06 0.00 0.00 37.83 34.62 3kch s LYS 98 CO 0.13 0.24 -0.07 -0.08 0.10 0.00 0.00 175.35 175.67 3kch s THR 99 N -1.54 0.56 -0.14 3.79 -1.32 -0.38 -1.23 115.64 115.38 3kch s THR 99 Ca 0.06 -0.37 0.16 0.00 -1.21 0.00 0.00 61.69 60.33 3kch s THR 99 Cb -0.08 -0.49 0.29 0.00 -1.51 0.00 0.00 72.50 70.71 3kch s THR 99 CO 0.04 0.11 1.17 0.35 -2.21 0.00 0.00 174.62 174.08 3kch n THR 100 N 2.78 1.82 -2.76 5.08 -2.24 -1.26 -1.17 114.28 116.52 3kch n THR 100 Ca -0.14 -2.03 -0.04 0.00 -2.27 0.00 0.00 64.05 59.58 3kch n THR 100 Cb 0.57 -0.13 0.04 0.00 -2.10 0.00 0.00 70.33 68.71 3kch n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3kch n ASP 101 N -1.14 1.66 -3.59 3.42 5.68 -1.14 -4.62 116.55 116.82 3kch n ASP 101 Ca 0.15 -2.30 -0.21 0.00 -0.50 0.00 0.00 54.79 51.93 3kch n ASP 101 Cb 0.62 -0.49 0.05 0.00 -1.14 0.00 0.00 41.12 40.16 3kch n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3kch n HIS 102 N -0.43 -2.03 -1.43 2.11 8.25 -0.88 -2.65 115.22 118.16 3kch n HIS 102 Ca 0.09 0.82 -0.15 0.00 -0.26 0.00 0.00 57.72 58.23 3kch n HIS 102 Cb 0.81 -4.40 -0.06 0.00 1.12 0.00 0.00 29.99 27.45 3kch n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3kch n TYR 103 N -4.10 0.00 0.12 4.41 4.02 -1.26 -4.87 117.16 115.47 3kch n TYR 103 Ca -0.25 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.41 3kch n TYR 103 Cb 0.66 -2.69 -0.15 0.00 -0.02 0.00 0.00 39.34 37.14 3kch n TYR 103 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3kch h GLN 104 N 0.02 0.50 -4.89 -0.72 4.20 -1.91 -3.47 115.11 108.84 3kch h GLN 104 Ca -0.30 -0.82 -0.30 0.00 0.06 0.00 0.00 58.65 57.29 3kch h GLN 104 Cb 1.03 0.30 -0.17 0.00 0.30 0.00 0.00 27.48 28.94 3kch h GLN 104 CO 0.44 1.39 -0.72 0.95 -0.67 0.00 0.00 178.83 180.22 3kch s THR 105 N -2.61 0.89 0.06 -0.54 -4.23 -1.26 -5.11 115.64 102.85 3kch s THR 105 Ca -0.10 -1.70 0.05 0.00 -1.18 0.00 0.00 61.69 58.76 3kch s THR 105 Cb 0.03 -1.42 -0.03 0.00 1.34 0.00 0.00 72.50 72.43 3kch s THR 105 CO 0.92 -0.62 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.88 3kch s PHE 106 N -2.68 1.18 -0.08 3.99 0.40 -1.26 -4.37 117.98 115.16 3kch s PHE 106 Ca 0.07 -0.44 0.02 0.00 -0.60 0.00 0.00 56.93 55.98 3kch s PHE 106 Cb -0.01 -0.67 0.01 0.00 0.51 0.00 0.00 43.02 42.86 3kch s PHE 106 CO -0.01 0.04 -0.13 0.99 0.70 0.00 0.00 175.22 176.81 3kch s THR 107 N -1.19 1.28 0.14 0.64 2.01 -0.37 -4.95 115.64 113.19 3kch s THR 107 Ca -0.02 -0.54 -0.30 0.00 0.31 0.00 0.00 61.69 61.14 3kch s THR 107 Cb -0.10 -1.17 -0.07 0.00 0.01 0.00 0.00 72.50 71.17 3kch s THR 107 CO 0.02 0.39 1.22 -0.75 -0.69 0.00 0.00 174.62 174.81 3kch s LYS 108 N 0.78 4.45 0.00 4.92 2.20 -1.26 -0.63 119.74 130.20 3kch s LYS 108 Ca -0.12 1.86 0.00 0.00 -0.36 0.00 0.00 55.97 57.36 3kch s LYS 108 Cb -0.16 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 3kch s LYS 108 CO 0.02 -0.19 0.00 0.44 -0.36 0.00 0.00 175.35 175.27 3kch n ILE 109 N 3.15 0.00 -1.06 5.43 -5.35 0.24 -4.93 119.36 116.84 3kch n ILE 109 Ca 0.07 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 3kch n ILE 109 Cb 0.45 0.76 0.00 0.00 -1.74 0.00 0.00 39.64 39.11 3kch n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33