#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 4.08 0.00 1.34 1.01 -1.26 -4.97 121.20 121.40 3kch s ILE 4 Ca 0.00 -0.53 0.24 0.00 0.00 0.00 0.00 60.65 60.36 3kch s ILE 4 Cb 0.00 -3.04 0.39 0.00 0.01 0.00 0.00 42.46 39.82 3kch s ILE 4 CO 0.00 0.16 1.15 -0.46 0.00 0.00 0.00 174.94 175.79 3kch n ASN 5 N 4.89 0.91 -4.84 3.58 6.94 -1.26 -4.74 115.26 120.74 3kch n ASN 5 Ca -0.15 -2.00 -0.22 0.00 -0.02 0.00 0.00 54.58 52.19 3kch n ASN 5 Cb 0.49 -0.29 -0.04 0.00 -2.36 0.00 0.00 39.78 37.58 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 4.43 0.14 5.53 -4.23 -1.26 -0.86 115.64 119.39 3kch s THR 6 Ca 0.31 -1.37 -0.17 0.00 -1.18 0.00 0.00 61.69 59.28 3kch s THR 6 Cb 0.36 -3.42 -0.01 0.00 1.34 0.00 0.00 72.50 70.77 3kch s THR 6 CO -0.15 -0.33 1.77 -0.26 -0.54 0.00 0.00 174.62 175.10 3kch h PHE 7 N 1.45 0.26 -0.17 3.99 0.04 -1.98 -1.44 116.94 119.09 3kch h PHE 7 Ca -0.48 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.19 3kch h PHE 7 Cb 1.24 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.32 3kch h PHE 7 CO 0.54 0.14 -0.32 -0.44 -0.60 0.00 0.00 178.31 177.64 3kch h ASP 8 N 0.30 0.57 -0.19 2.17 3.32 -1.98 -0.98 116.42 119.63 3kch h ASP 8 Ca 0.13 -0.55 -0.00 0.00 0.02 0.00 0.00 57.03 56.63 3kch h ASP 8 Cb 0.06 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3kch h ASP 8 CO -0.10 1.01 0.11 1.23 -1.72 0.00 0.00 179.24 179.77 3kch h GLY 9 N 0.15 0.27 1.30 2.75 0.00 -1.96 0.75 103.07 106.34 3kch h GLY 9 Ca 0.01 -0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.12 3kch h GLY 9 CO 0.07 0.11 -0.17 -2.08 0.00 0.00 0.00 176.54 174.47 3kch h VAL 10 N 0.23 1.27 -0.33 4.60 2.07 -1.30 -1.33 116.25 121.46 3kch h VAL 10 Ca 0.07 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 3kch h VAL 10 Cb 0.02 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3kch h VAL 10 CO -0.01 0.43 0.13 0.00 0.02 0.00 0.00 177.57 178.14 3kch h ALA 11 N 1.09 0.43 -0.62 1.67 0.00 -0.75 -0.60 119.26 120.48 3kch h ALA 11 Ca 0.11 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3kch h ALA 11 Cb 0.68 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3kch h ALA 11 CO 0.05 0.02 0.02 -0.44 0.00 0.00 0.00 179.25 178.91 3kch h ASP 12 N 0.39 1.05 -0.32 0.00 3.32 -0.79 -2.67 116.42 117.40 3kch h ASP 12 Ca 0.11 -0.30 0.03 0.00 0.02 0.00 0.00 57.03 56.90 3kch h ASP 12 Cb 0.18 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3kch h ASP 12 CO -0.01 1.09 0.12 0.22 -1.72 0.00 0.00 179.24 178.94 3kch h TYR 13 N 0.98 0.22 -0.97 4.55 5.03 -1.00 -2.75 116.97 123.03 3kch h TYR 13 Ca 0.18 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.51 3kch h TYR 13 Cb 0.53 -0.05 -0.05 0.00 1.55 0.00 0.00 36.73 38.71 3kch h TYR 13 CO 0.04 0.10 0.64 -0.07 -1.32 0.00 0.00 178.16 177.55 3kch h LEU 14 N 0.27 1.12 -0.36 2.82 3.38 -0.90 -0.60 115.31 121.04 3kch h LEU 14 Ca 0.14 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.89 3kch h LEU 14 Cb 0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3kch h LEU 14 CO -0.14 0.82 -0.81 1.56 0.09 0.00 0.00 178.44 179.97 3kch h GLN 15 N 1.32 0.27 0.00 1.13 4.20 -1.18 0.31 115.11 121.15 3kch h GLN 15 Ca 0.35 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 3kch h GLN 15 Cb -0.14 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 3kch h GLN 15 CO -0.08 0.94 -0.04 1.15 -0.67 0.00 0.00 178.83 180.13 3kch h THR 16 N 0.17 1.34 0.00 -0.54 2.02 -1.51 -3.39 112.91 110.99 3kch h THR 16 Ca -0.04 -2.02 0.00 0.00 0.77 0.00 0.00 66.41 65.12 3kch h THR 16 Cb 1.40 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 70.35 3kch h THR 16 CO 0.13 0.45 -1.04 -1.22 0.37 0.00 0.00 175.52 174.21 3kch n TYR 17 N -4.64 0.06 -2.65 3.16 4.01 -0.24 -4.97 117.16 111.89 3kch n TYR 17 Ca -0.08 0.02 -0.21 0.00 -0.16 0.00 0.00 57.90 57.46 3kch n TYR 17 Cb 0.37 -0.19 0.01 0.00 -0.31 0.00 0.00 39.34 39.22 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 -1.68 -1.39 -3.56 -0.72 8.25 0.11 -4.97 115.22 111.25 3kch n HIS 18 Ca 0.03 0.21 -0.10 0.00 -0.26 0.00 0.00 57.72 57.59 3kch n HIS 18 Cb 0.38 -4.19 -0.02 0.00 1.12 0.00 0.00 29.99 27.28 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 -5.31 1.42 0.58 -0.41 -2.85 -1.25 -5.05 119.74 106.87 3kch s LYS 19 Ca 0.12 -0.64 -0.17 0.00 -1.00 0.00 0.00 55.97 54.28 3kch s LYS 19 Cb -0.05 0.59 -0.04 0.00 -2.06 0.00 0.00 37.83 36.26 3kch s LYS 19 CO 0.15 -0.63 1.10 -0.51 0.10 0.00 0.00 175.35 175.56 3kch s LEU 20 N -2.80 3.59 1.06 2.77 1.43 -1.26 -4.13 118.68 119.34 3kch s LEU 20 Ca 0.04 2.01 -0.14 0.00 -1.03 0.00 0.00 54.13 55.01 3kch s LEU 20 Cb -0.02 -4.56 0.14 0.00 0.03 0.00 0.00 46.19 41.78 3kch s LEU 20 CO -0.07 -1.28 0.53 -2.65 0.23 0.00 0.00 176.35 173.11 3kch n PRO 21 N -1.77 -1.28 0.07 1.29 -0.02 -1.26 -4.88 135.00 127.15 3kch n PRO 21 Ca 0.10 -0.34 0.11 0.00 -2.02 0.00 0.00 63.50 61.35 3kch n PRO 21 Cb 0.52 -1.96 0.44 0.00 -0.02 0.00 0.00 33.50 32.48 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 -2.75 0.40 -0.00 2.55 8.00 -1.26 -2.50 116.55 120.98 3kch n ASP 22 Ca 0.05 0.58 0.07 0.00 0.71 0.00 0.00 54.79 56.20 3kch n ASP 22 Cb 0.56 -0.67 0.44 0.00 -0.02 0.00 0.00 41.12 41.43 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 -1.93 0.01 -4.76 -2.24 6.94 -1.26 -4.84 115.26 107.19 3kch n ASN 23 Ca 0.04 -1.53 -0.34 0.00 -0.02 0.00 0.00 54.58 52.72 3kch n ASN 23 Cb 0.25 -0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.59 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 -2.00 3.28 0.01 -2.53 2.02 -1.04 -1.40 117.35 115.69 3kch s TYR 24 Ca 0.22 0.24 0.01 0.00 -0.37 0.00 0.00 57.07 57.17 3kch s TYR 24 Cb 0.10 -1.78 -0.01 0.00 -0.40 0.00 0.00 41.96 39.88 3kch s TYR 24 CO 0.17 0.55 -0.03 0.96 -1.57 0.00 0.00 175.55 175.63 3kch s ILE 25 N -1.08 0.20 0.85 2.71 -4.36 -0.36 -4.90 121.20 114.27 3kch s ILE 25 Ca 0.19 -0.42 -0.11 0.00 -0.26 0.00 0.00 60.65 60.04 3kch s ILE 25 Cb -0.12 -0.23 0.10 0.00 1.25 0.00 0.00 42.46 43.46 3kch s ILE 25 CO 0.09 -0.15 1.09 0.42 0.24 0.00 0.00 174.94 176.63 3kch s THR 26 N -0.58 2.85 0.35 8.37 -4.23 -1.19 -0.75 115.64 120.45 3kch s THR 26 Ca -0.05 0.27 0.04 0.00 -1.18 0.00 0.00 61.69 60.77 3kch s THR 26 Cb -0.04 -2.85 0.28 0.00 1.34 0.00 0.00 72.50 71.22 3kch s THR 26 CO -0.00 -0.36 1.98 0.11 -0.54 0.00 0.00 174.62 175.81 3kch h LYS 27 N -1.36 0.80 -0.40 3.99 1.57 -1.96 0.47 116.57 119.68 3kch h LYS 27 Ca -0.48 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.15 3kch h LYS 27 Cb 1.27 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 3kch h LYS 27 CO 0.56 0.53 -0.13 0.66 -0.57 0.00 0.00 179.45 180.50 3kch h SER 28 N 0.82 0.81 -0.52 0.86 4.64 -1.99 -0.67 113.55 117.51 3kch h SER 28 Ca 0.28 -0.38 -0.04 0.00 -0.47 0.00 0.00 61.79 61.18 3kch h SER 28 Cb 0.09 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 3kch h SER 28 CO -0.08 1.01 0.17 -0.33 -0.87 0.00 0.00 176.83 176.73 3kch h GLU 29 N 0.62 0.80 -0.60 4.77 5.08 -1.81 -2.47 114.58 120.96 3kch h GLU 29 Ca 0.10 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3kch h GLU 29 Cb 0.67 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 3kch h GLU 29 CO 0.05 0.73 0.19 0.00 -1.00 0.00 0.00 179.01 178.98 3kch h ALA 30 N 1.03 0.78 -0.50 3.43 0.00 -0.76 -2.64 119.26 120.60 3kch h ALA 30 Ca 0.17 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3kch h ALA 30 Cb 0.26 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3kch h ALA 30 CO -0.01 0.45 0.32 1.96 0.00 0.00 0.00 179.25 181.97 3kch h GLN 31 N 0.85 0.63 -0.56 0.00 4.20 -1.03 -0.48 115.11 118.72 3kch h GLN 31 Ca 0.19 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.90 3kch h GLN 31 Cb 0.28 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 3kch h GLN 31 CO -0.01 0.42 0.37 0.00 -0.67 0.00 0.00 178.83 178.94 3kch h ALA 32 N 1.20 1.72 -0.60 3.87 0.00 -1.30 -2.08 119.26 122.06 3kch h ALA 32 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3kch h ALA 32 Cb -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3kch h ALA 32 CO -0.06 0.22 0.00 1.47 0.00 0.00 0.00 179.25 180.88 3kch n LEU 33 N -4.47 3.81 0.00 0.00 -0.00 -0.76 -4.89 117.00 110.70 3kch n LEU 33 Ca 0.07 -1.91 0.00 0.00 -0.00 0.00 0.00 56.01 54.16 3kch n LEU 33 Cb 0.14 -0.48 0.00 0.00 -0.00 0.00 0.00 43.42 43.08 3kch n LEU 33 CO 0.35 0.78 0.00 0.61 -0.00 0.00 0.00 177.39 179.13 3kch n GLY 34 N 1.28 1.06 3.69 1.47 0.00 -0.78 -4.87 105.19 107.04 3kch n GLY 34 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.94 2.57 -0.30 1.61 -0.00 -0.26 -4.93 118.94 115.68 3kch s TRP 35 Ca 0.00 0.48 0.03 0.00 -0.00 0.00 0.00 56.10 56.61 3kch s TRP 35 Cb 0.00 -3.87 0.08 0.00 -0.00 0.00 0.00 33.47 29.68 3kch s TRP 35 CO 0.00 -3.42 -0.01 0.08 -0.00 0.00 0.00 176.95 173.60 3kch s VAL 36 N 2.51 2.08 0.28 5.86 1.01 -1.26 -4.46 120.40 126.41 3kch s VAL 36 Ca 0.71 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.73 3kch s VAL 36 Cb -0.37 -2.41 0.29 0.00 0.00 0.00 0.00 36.38 33.88 3kch s VAL 36 CO 0.30 -0.38 1.67 0.00 0.00 0.00 0.00 175.10 176.69 3kch h ALA 37 N 7.72 1.22 0.00 5.51 0.00 -1.99 0.12 119.26 131.84 3kch h ALA 37 Ca -0.11 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kch h ALA 37 Cb 1.03 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3kch h ALA 37 CO 0.49 -0.40 0.00 0.43 0.00 0.00 0.00 179.25 179.77 3kch n SER 38 N -5.17 0.41 -0.52 0.00 7.64 -1.26 -1.64 113.62 113.09 3kch n SER 38 Ca 0.19 0.61 0.09 0.00 1.01 0.00 0.00 58.87 60.77 3kch n SER 38 Cb 0.61 -0.69 0.03 0.00 -1.01 0.00 0.00 64.21 63.15 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 -1.96 1.57 -3.73 1.43 4.76 0.42 -4.97 118.16 115.68 3kch n LYS 39 Ca 0.02 -1.13 -0.26 0.00 -2.87 0.00 0.00 58.31 54.07 3kch n LYS 39 Cb 0.20 -1.32 0.06 0.00 -1.84 0.00 0.00 35.03 32.12 3kch n LYS 39 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kch n GLY 40 N 1.12 -0.52 1.38 0.72 0.00 -0.65 -4.90 105.19 102.34 3kch n GLY 40 Ca 0.08 0.23 0.07 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.95 4.67 -0.31 1.61 6.94 -1.25 -3.99 115.26 119.99 3kch n ASN 41 Ca 0.01 -3.02 -0.04 0.00 -0.02 0.00 0.00 54.58 51.50 3kch n ASN 41 Cb 0.55 -0.62 0.08 0.00 -2.36 0.00 0.00 39.78 37.43 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 2.72 1.02 -0.75 -4.53 5.85 -1.88 -0.67 115.31 117.08 3kch h LEU 42 Ca 0.02 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3kch h LEU 42 Cb 1.74 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.51 3kch h LEU 42 CO 0.37 0.81 0.00 0.00 -0.34 0.00 0.00 178.44 179.28 3kch h ALA 43 N 1.26 1.00 -0.09 1.25 0.00 -1.83 0.82 119.26 121.66 3kch h ALA 43 Ca 0.30 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.98 3kch h ALA 43 Cb -0.00 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kch h ALA 43 CO -0.05 0.00 -0.83 -0.44 0.00 0.00 0.00 179.25 177.92 3kch h ASP 44 N 0.00 0.78 0.00 0.00 3.32 -1.47 -3.14 116.42 115.90 3kch h ASP 44 Ca 0.00 -0.54 0.00 0.00 0.02 0.00 0.00 57.03 56.51 3kch h ASP 44 Cb 0.53 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3kch h ASP 44 CO 0.00 1.33 -1.47 1.33 -1.72 0.00 0.00 179.24 178.71 3kch n VAL 45 N -3.87 0.00 -3.14 -1.35 0.24 -1.01 -4.64 118.33 104.55 3kch n VAL 45 Ca -0.07 -0.25 -0.21 0.00 -2.04 0.00 0.00 64.34 61.76 3kch n VAL 45 Cb 0.77 0.50 -0.05 0.00 -1.47 0.00 0.00 33.84 33.59 3kch n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kch n ALA 46 N -1.86 1.70 -1.70 2.33 0.00 0.25 -4.92 120.51 116.31 3kch n ALA 46 Ca -0.00 -2.91 -0.43 0.00 0.00 0.00 0.00 53.44 50.10 3kch n ALA 46 Cb 0.43 -0.92 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 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 1.82 2.34 -0.67 0.00 -0.02 -1.19 -1.67 135.00 135.61 3kch n PRO 47 Ca 0.21 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 3kch n PRO 47 Cb 0.54 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 2.27 1.23 3.92 -1.23 0.00 -1.26 -5.02 105.19 105.09 3kch n GLY 48 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.17 3.54 0.14 1.61 -0.14 -0.67 -4.85 119.74 119.19 3kch s LYS 49 Ca 0.00 -0.29 0.08 0.00 -1.36 0.00 0.00 55.97 54.40 3kch s LYS 49 Cb 0.00 -2.86 -0.04 0.00 -1.68 0.00 0.00 37.83 33.25 3kch s LYS 49 CO 0.00 0.43 -0.18 -1.12 -0.76 0.00 0.00 175.35 173.72 3kch s SER 50 N -2.94 2.51 0.08 2.83 0.01 -0.50 -4.86 113.70 110.84 3kch s SER 50 Ca 0.39 -0.79 -0.31 0.00 1.31 0.00 0.00 55.95 56.55 3kch s SER 50 Cb -0.11 -0.14 -0.07 0.00 0.21 0.00 0.00 66.02 65.91 3kch s SER 50 CO 0.28 -0.02 1.42 -0.63 0.41 0.00 0.00 173.24 174.70 3kch s ILE 51 N -1.74 3.37 -0.18 1.44 -1.09 -1.26 -1.22 121.20 120.52 3kch s ILE 51 Ca 0.11 0.93 -0.31 0.00 -2.23 0.00 0.00 60.65 59.14 3kch s ILE 51 Cb -0.07 -3.59 0.14 0.00 -1.58 0.00 0.00 42.46 37.36 3kch s ILE 51 CO 0.05 0.05 1.15 -0.83 -1.23 0.00 0.00 174.94 174.13 3kch s GLY 52 N 1.41 -0.21 0.00 6.18 0.00 0.07 -0.33 107.32 114.43 3kch s GLY 52 Ca 0.65 1.96 0.00 0.00 0.00 0.00 0.00 44.72 47.33 3kch s GLY 52 CO 0.29 0.80 0.00 0.61 0.00 0.00 0.00 173.10 174.80 3kch n GLY 53 N 0.28 0.86 3.84 0.20 0.00 0.80 -3.20 105.19 107.98 3kch n GLY 53 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.41 6.76 0.24 1.61 1.01 -1.23 -4.77 116.67 118.87 3kch s ASP 54 Ca 0.00 1.45 -0.30 0.00 0.71 0.00 0.00 52.55 54.41 3kch s ASP 54 Cb 0.00 -2.45 -0.10 0.00 1.01 0.00 0.00 42.92 41.38 3kch s ASP 54 CO 0.00 -0.37 1.41 -0.63 0.21 0.00 0.00 175.17 175.80 3kch s ILE 55 N -2.24 2.78 -0.19 0.77 -1.09 -1.26 -0.32 121.20 119.64 3kch s ILE 55 Ca 0.57 0.65 -0.04 0.00 -2.23 0.00 0.00 60.65 59.60 3kch s ILE 55 Cb -0.10 -3.42 -0.02 0.00 -1.58 0.00 0.00 42.46 37.35 3kch s ILE 55 CO 0.21 0.10 -0.03 0.12 -1.23 0.00 0.00 174.94 174.11 3kch s PHE 56 N 0.05 2.99 -0.30 3.97 5.36 -0.10 -4.81 117.98 125.15 3kch s PHE 56 Ca 0.59 -0.58 0.24 0.00 -0.96 0.00 0.00 56.93 56.22 3kch s PHE 56 Cb -0.41 -2.05 0.49 0.00 -0.34 0.00 0.00 43.02 40.71 3kch s PHE 56 CO 0.42 -0.29 1.66 0.66 -1.46 0.00 0.00 175.22 176.20 3kch h SER 57 N 7.47 0.00 -6.06 6.13 4.64 -1.96 -3.39 113.55 120.39 3kch h SER 57 Ca -0.36 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.54 3kch h SER 57 Cb 1.18 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.32 3kch h SER 57 CO 0.60 0.07 -0.75 -3.20 -0.87 0.00 0.00 176.83 172.69 3kch n ASN 58 N -3.13 -4.20 -0.31 4.97 5.15 -1.26 -4.85 115.26 111.63 3kch n ASN 58 Ca 0.03 -0.70 0.13 0.00 -0.60 0.00 0.00 54.58 53.44 3kch n ASN 58 Cb 0.52 -4.39 0.37 0.00 -0.53 0.00 0.00 39.78 35.74 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 -2.20 0.68 -0.05 1.20 2.43 -2.01 -2.15 114.38 112.28 3kch h ARG 59 Ca -0.58 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.54 3kch h ARG 59 Cb 1.37 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3kch h ARG 59 CO 0.60 0.45 0.00 0.39 -1.51 0.00 0.00 179.97 179.90 3kch n GLU 60 N -4.64 1.71 -1.94 0.20 4.71 -1.26 -4.91 120.64 114.51 3kch n GLU 60 Ca 0.20 -1.04 -0.14 0.00 -0.01 0.00 0.00 57.16 56.18 3kch n GLU 60 Cb 0.55 -1.46 -0.03 0.00 -1.01 0.00 0.00 31.44 29.49 3kch n GLU 60 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kch n GLY 61 N 1.18 0.41 0.09 0.62 0.00 -0.81 -4.92 105.19 101.76 3kch n GLY 61 Ca 0.18 -0.33 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 0.00 -6.45 1.61 1.57 -1.91 -3.44 116.57 107.95 3kch h LYS 62 Ca -0.31 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.93 3kch h LYS 62 Cb 1.11 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 3kch h LYS 62 CO 0.40 0.83 -0.12 -0.51 -0.57 0.00 0.00 179.45 179.48 3kch s LEU 63 N -6.88 4.14 0.17 2.94 1.43 -1.26 -4.97 118.68 114.25 3kch s LEU 63 Ca 0.01 0.89 -0.32 0.00 -1.03 0.00 0.00 54.13 53.68 3kch s LEU 63 Cb 0.10 -3.66 -0.10 0.00 0.03 0.00 0.00 46.19 42.55 3kch s LEU 63 CO 0.79 -0.10 1.64 -2.16 0.23 0.00 0.00 176.35 176.75 3kch s PRO 64 N -2.94 4.18 0.06 1.29 0.04 -1.26 -4.98 135.00 131.39 3kch s PRO 64 Ca 0.47 2.45 -0.11 0.00 0.04 0.00 0.00 61.00 63.85 3kch s PRO 64 Cb -0.11 -3.20 -0.06 0.00 0.04 0.00 0.00 34.50 31.17 3kch s PRO 64 CO 0.23 -0.68 0.40 0.20 0.04 0.00 0.00 177.00 177.19 3kch s GLY 65 N 1.39 2.36 -0.06 0.56 0.00 -1.26 -5.09 107.32 105.21 3kch s GLY 65 Ca 0.73 -0.35 -0.12 0.00 0.00 0.00 0.00 44.72 44.97 3kch s GLY 65 CO 0.32 -0.11 0.29 1.25 0.00 0.00 0.00 173.10 174.85 3kch s LYS 66 N -1.76 0.50 0.19 2.90 2.20 -1.26 -5.07 119.74 117.45 3kch s LYS 66 Ca 0.31 0.09 -0.32 0.00 -0.36 0.00 0.00 55.97 55.69 3kch s LYS 66 Cb -0.14 0.23 -0.12 0.00 -1.51 0.00 0.00 37.83 36.28 3kch s LYS 66 CO 0.17 -0.11 1.70 0.43 -0.36 0.00 0.00 175.35 177.18 3kch n SER 67 N 2.08 3.80 0.00 1.43 7.64 -1.26 -0.83 113.62 126.49 3kch n SER 67 Ca -0.17 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.76 3kch n SER 67 Cb 0.57 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 3kch n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kch n GLY 68 N 3.88 0.64 3.65 0.23 0.00 -1.26 -5.02 105.19 107.30 3kch n GLY 68 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.06 4.13 -0.13 1.61 3.52 -0.01 -4.94 118.95 123.07 3kch s ARG 69 Ca 0.00 0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.77 3kch s ARG 69 Cb 0.00 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 3kch s ARG 69 CO 0.00 -0.16 0.03 0.99 -0.81 0.00 0.00 175.30 175.36 3kch s THR 70 N 1.68 4.56 -0.10 4.11 2.01 -1.26 -4.75 115.64 121.90 3kch s THR 70 Ca 0.19 -0.14 -0.03 0.00 0.31 0.00 0.00 61.69 62.02 3kch s THR 70 Cb -0.15 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 3kch s THR 70 CO 0.09 0.55 0.05 0.26 -0.69 0.00 0.00 174.62 174.87 3kch s TRP 71 N -0.35 3.30 0.20 4.92 0.52 -1.26 -1.10 118.94 125.18 3kch s TRP 71 Ca 0.08 0.30 0.08 0.00 0.02 0.00 0.00 56.10 56.58 3kch s TRP 71 Cb -0.12 -1.83 -0.05 0.00 -1.15 0.00 0.00 33.47 30.32 3kch s TRP 71 CO 0.02 0.56 -0.15 1.03 0.02 0.00 0.00 176.95 178.43 3kch s ARG 72 N -0.94 1.33 0.28 4.98 0.52 -0.38 -0.92 118.95 123.81 3kch s ARG 72 Ca 0.14 -1.58 0.09 0.00 -0.52 0.00 0.00 55.73 53.86 3kch s ARG 72 Cb -0.12 -1.13 -0.05 0.00 0.52 0.00 0.00 34.95 34.17 3kch s ARG 72 CO 0.03 0.19 -0.13 -1.83 0.02 0.00 0.00 175.30 173.58 3kch s GLU 73 N -3.62 1.60 -0.04 3.54 -1.05 0.56 -1.21 118.70 118.49 3kch s GLU 73 Ca 0.22 -1.77 -0.11 0.00 -0.15 0.00 0.00 54.97 53.16 3kch s GLU 73 Cb -0.01 -1.46 0.02 0.00 -0.44 0.00 0.00 34.13 32.24 3kch s GLU 73 CO 0.07 0.18 0.25 0.00 0.95 0.00 0.00 175.26 176.71 3kch s ALA 74 N -2.76 -0.61 0.30 -0.84 0.00 -0.00 -0.14 121.76 117.71 3kch s ALA 74 Ca 0.29 0.33 -0.29 0.00 0.00 0.00 0.00 51.96 52.29 3kch s ALA 74 Cb -0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 23.12 22.94 3kch s ALA 74 CO 0.13 -0.20 1.12 -0.51 0.00 0.00 0.00 175.76 176.30 3kch s ASP 75 N -0.86 7.16 0.02 0.00 1.11 0.55 -1.03 116.67 123.62 3kch s ASP 75 Ca -0.09 2.30 0.09 0.00 0.18 0.00 0.00 52.55 55.02 3kch s ASP 75 Cb -0.05 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.29 3kch s ASP 75 CO 0.02 -0.22 -0.26 -0.63 1.18 0.00 0.00 175.17 175.26 3kch s ILE 76 N -1.20 2.06 -1.44 0.77 -1.09 -0.81 -4.69 121.20 114.80 3kch s ILE 76 Ca 0.46 -1.27 0.00 0.00 -2.23 0.00 0.00 60.65 57.61 3kch s ILE 76 Cb -0.32 -1.75 0.00 0.00 -1.58 0.00 0.00 42.46 38.81 3kch s ILE 76 CO 0.41 0.42 0.00 0.59 -1.23 0.00 0.00 174.94 175.14 3kch n ASN 77 N 2.01 -4.63 -4.74 3.58 3.02 -0.04 -4.50 115.26 109.97 3kch n ASN 77 Ca -0.17 0.32 -0.40 0.00 -0.03 0.00 0.00 54.58 54.30 3kch n ASN 77 Cb 0.52 -3.35 -0.05 0.00 -0.61 0.00 0.00 39.78 36.28 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 -2.52 3.83 0.02 3.10 5.04 -1.26 -4.91 117.35 120.66 3kch s TYR 78 Ca 0.00 1.74 0.00 0.00 -2.44 0.00 0.00 57.07 56.37 3kch s TYR 78 Cb 0.00 -2.97 0.00 0.00 0.35 0.00 0.00 41.96 39.34 3kch s TYR 78 CO 0.00 0.29 0.00 0.25 -1.34 0.00 0.00 175.55 174.75 3kch n THR 79 N 2.47 0.17 -3.64 4.34 -2.24 -1.26 -4.94 114.28 109.17 3kch n THR 79 Ca -0.00 0.06 -0.09 0.00 -2.27 0.00 0.00 64.05 61.75 3kch n THR 79 Cb 0.49 -1.30 -0.02 0.00 -2.10 0.00 0.00 70.33 67.40 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 -5.14 -0.38 0.00 3.42 1.04 -1.26 -4.76 113.70 106.62 3kch s SER 80 Ca 0.00 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3kch s SER 80 Cb 0.00 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.75 3kch s SER 80 CO 0.00 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.74 3kch n GLY 81 N -0.41 -1.34 3.75 7.32 0.00 -1.26 -4.88 105.19 108.38 3kch n GLY 81 Ca -0.10 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 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 2.34 0.52 1.61 0.08 -1.26 -4.43 117.98 116.84 3kch s PHE 82 Ca 0.00 1.51 -0.23 0.00 0.12 0.00 0.00 56.93 58.33 3kch s PHE 82 Cb 0.00 -3.52 -0.06 0.00 -0.57 0.00 0.00 43.02 38.87 3kch s PHE 82 CO 0.00 -2.33 1.40 1.03 -0.10 0.00 0.00 175.22 175.21 3kch s ARG 83 N -3.35 3.30 0.00 0.44 0.52 -1.26 -5.01 118.95 113.59 3kch s ARG 83 Ca 0.78 2.33 0.00 0.00 -0.52 0.00 0.00 55.73 58.32 3kch s ARG 83 Cb -0.31 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 32.76 3kch s ARG 83 CO 0.34 -1.09 0.00 0.27 0.02 0.00 0.00 175.30 174.84 3kch n ASN 84 N -0.76 0.00 -0.64 0.23 0.23 -1.26 -5.03 115.26 108.03 3kch n ASN 84 Ca 0.09 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 54.21 3kch n ASN 84 Cb 0.44 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 38.24 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 0.00 2.48 -4.71 0.53 3.41 -1.26 -4.95 113.62 109.11 3kch n SER 85 Ca 0.00 -1.71 -0.37 0.00 -0.26 0.00 0.00 58.87 56.53 3kch n SER 85 Cb 0.00 -0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.14 6.42 0.01 4.04 1.01 -1.26 -2.30 116.67 123.45 3kch s ASP 86 Ca 0.20 0.49 -0.02 0.00 0.71 0.00 0.00 52.55 53.94 3kch s ASP 86 Cb 0.13 -2.19 -0.01 0.00 1.01 0.00 0.00 42.92 41.86 3kch s ASP 86 CO 0.19 0.06 0.01 -0.13 0.21 0.00 0.00 175.17 175.51 3kch s ARG 87 N 0.65 0.31 -0.13 8.23 1.81 0.04 -1.92 118.95 127.94 3kch s ARG 87 Ca 0.17 -0.48 -0.06 0.00 -1.72 0.00 0.00 55.73 53.63 3kch s ARG 87 Cb -0.13 0.11 -0.04 0.00 -0.45 0.00 0.00 34.95 34.44 3kch s ARG 87 CO 0.05 -0.06 0.10 -1.50 -0.68 0.00 0.00 175.30 173.21 3kch s ILE 88 N -1.25 5.13 -0.15 1.52 2.07 -0.20 -0.82 121.20 127.51 3kch s ILE 88 Ca -0.14 0.07 -0.01 0.00 -1.41 0.00 0.00 60.65 59.16 3kch s ILE 88 Cb -0.08 -3.25 -0.01 0.00 0.13 0.00 0.00 42.46 39.25 3kch s ILE 88 CO -0.00 0.57 -0.10 -0.76 -1.91 0.00 0.00 174.94 172.73 3kch s LEU 89 N -0.64 2.81 -0.01 8.50 2.01 0.54 -0.82 118.68 131.07 3kch s LEU 89 Ca 0.12 -0.31 0.02 0.00 0.01 0.00 0.00 54.13 53.97 3kch s LEU 89 Cb -0.12 -1.65 0.00 0.00 0.01 0.00 0.00 46.19 44.43 3kch s LEU 89 CO 0.02 0.14 -0.07 -0.72 1.01 0.00 0.00 176.35 176.73 3kch s TYR 90 N 0.53 0.65 0.48 0.29 1.13 -0.35 0.36 117.35 120.45 3kch s TYR 90 Ca -0.07 -0.13 0.05 0.00 -1.41 0.00 0.00 57.07 55.51 3kch s TYR 90 Cb -0.15 -0.46 0.02 0.00 -1.10 0.00 0.00 41.96 40.27 3kch s TYR 90 CO 0.04 -0.05 0.66 -1.54 -2.51 0.00 0.00 175.55 172.15 3kch s SER 91 N 0.05 5.48 0.56 -0.18 1.04 -0.11 -1.25 113.70 119.30 3kch s SER 91 Ca -0.00 -0.28 0.37 0.00 0.48 0.00 0.00 55.95 56.52 3kch s SER 91 Cb -0.05 -0.71 1.83 0.00 0.10 0.00 0.00 66.02 67.19 3kch s SER 91 CO -0.00 -0.93 2.12 0.77 0.98 0.00 0.00 173.24 176.17 3kch h SER 92 N 0.40 0.00 -0.45 7.02 4.64 -1.45 -0.94 113.55 122.77 3kch h SER 92 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3kch h SER 92 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3kch h SER 92 CO 0.47 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.53 3kch n ASP 93 N -2.94 3.88 -0.60 4.97 5.75 -1.26 -4.98 116.55 121.37 3kch n ASP 93 Ca -0.01 -2.42 -0.05 0.00 -0.01 0.00 0.00 54.79 52.29 3kch n ASP 93 Cb 0.16 -0.45 -0.00 0.00 -1.03 0.00 0.00 41.12 39.80 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 0.51 -0.24 -2.19 2.11 7.02 -0.36 -5.03 117.44 119.27 3kch n TRP 94 Ca 0.20 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.28 3kch n TRP 94 Cb 0.72 -1.73 -0.02 0.00 -2.42 0.00 0.00 31.31 27.86 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 -1.51 4.35 -0.10 -0.99 1.43 -1.26 -4.86 118.68 115.73 3kch s LEU 95 Ca 0.00 2.54 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 3kch s LEU 95 Cb 0.00 -3.78 0.02 0.00 0.03 0.00 0.00 46.19 42.46 3kch s LEU 95 CO 0.00 -0.57 -0.09 -0.63 0.23 0.00 0.00 176.35 175.28 3kch s ILE 96 N -1.23 1.08 0.30 -0.59 -1.09 -1.26 -0.93 121.20 117.48 3kch s ILE 96 Ca 0.52 -0.36 0.11 0.00 -2.23 0.00 0.00 60.65 58.68 3kch s ILE 96 Cb -0.36 -1.06 -0.05 0.00 -1.58 0.00 0.00 42.46 39.40 3kch s ILE 96 CO 0.47 0.37 -0.16 -0.31 -1.23 0.00 0.00 174.94 174.08 3kch s TYR 97 N 1.35 2.34 0.10 3.97 1.51 0.16 -0.62 117.35 126.16 3kch s TYR 97 Ca -0.01 -0.37 0.07 0.00 -1.01 0.00 0.00 57.07 55.74 3kch s TYR 97 Cb -0.14 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.57 3kch s TYR 97 CO -0.04 0.68 -0.16 -1.59 -1.11 0.00 0.00 175.55 173.32 3kch s LYS 98 N -3.55 1.00 0.01 -0.62 -2.85 0.16 -0.34 119.74 113.55 3kch s LYS 98 Ca 0.31 -1.13 0.04 0.00 -1.00 0.00 0.00 55.97 54.18 3kch s LYS 98 Cb -0.03 -1.06 -0.01 0.00 -2.06 0.00 0.00 37.83 34.67 3kch s LYS 98 CO 0.16 0.23 -0.12 -0.08 0.10 0.00 0.00 175.35 175.64 3kch s THR 99 N -1.55 0.94 -0.20 3.79 -1.32 0.00 -0.67 115.64 116.63 3kch s THR 99 Ca 0.05 -0.69 0.02 0.00 -1.21 0.00 0.00 61.69 59.86 3kch s THR 99 Cb -0.08 -0.82 0.06 0.00 -1.51 0.00 0.00 72.50 70.15 3kch s THR 99 CO 0.03 0.13 1.01 0.35 -2.21 0.00 0.00 174.62 173.94 3kch n THR 100 N 2.42 0.92 -2.47 5.08 -2.24 -1.26 -0.78 114.28 115.96 3kch n THR 100 Ca -0.16 -0.96 -0.06 0.00 -2.27 0.00 0.00 64.05 60.61 3kch n THR 100 Cb 0.56 0.54 0.05 0.00 -2.10 0.00 0.00 70.33 69.38 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 -0.26 2.46 -3.02 3.42 5.68 -1.20 -4.58 116.55 119.05 3kch n ASP 101 Ca 0.02 -2.65 -0.14 0.00 -0.50 0.00 0.00 54.79 51.52 3kch n ASP 101 Cb 0.27 -0.42 0.07 0.00 -1.14 0.00 0.00 41.12 39.90 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 -0.52 -1.85 -1.28 2.11 8.25 -0.97 -2.99 115.22 117.97 3kch n HIS 102 Ca 0.18 0.78 -0.10 0.00 -0.26 0.00 0.00 57.72 58.32 3kch n HIS 102 Cb 0.89 -4.53 -0.04 0.00 1.12 0.00 0.00 29.99 27.43 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 -3.56 0.00 0.03 4.41 4.01 -1.26 -4.89 117.16 115.90 3kch n TYR 103 Ca -0.23 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.32 3kch n TYR 103 Cb 0.64 -2.04 -0.14 0.00 -0.31 0.00 0.00 39.34 37.48 3kch n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3kch h GLN 104 N 0.09 0.25 -5.26 -0.72 4.20 -1.95 -3.47 115.11 108.26 3kch h GLN 104 Ca -0.20 -0.43 -0.38 0.00 0.06 0.00 0.00 58.65 57.70 3kch h GLN 104 Cb 0.76 0.16 -0.17 0.00 0.30 0.00 0.00 27.48 28.54 3kch h GLN 104 CO 0.29 1.20 -0.74 0.95 -0.67 0.00 0.00 178.83 179.87 3kch s THR 105 N -2.39 1.27 0.09 -0.54 -4.23 -1.26 -5.11 115.64 103.47 3kch s THR 105 Ca -0.14 -1.87 0.06 0.00 -1.18 0.00 0.00 61.69 58.56 3kch s THR 105 Cb 0.00 -1.66 -0.03 0.00 1.34 0.00 0.00 72.50 72.15 3kch s THR 105 CO 0.81 -0.56 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.81 3kch s PHE 106 N -2.65 1.40 -0.03 3.99 0.08 -1.26 -4.42 117.98 115.08 3kch s PHE 106 Ca 0.12 -0.48 0.03 0.00 0.12 0.00 0.00 56.93 56.72 3kch s PHE 106 Cb -0.02 -0.76 0.00 0.00 -0.57 0.00 0.00 43.02 41.67 3kch s PHE 106 CO 0.02 0.12 -0.11 0.99 -0.10 0.00 0.00 175.22 176.14 3kch s THR 107 N -1.53 0.95 0.19 0.64 2.01 0.16 -4.93 115.64 113.13 3kch s THR 107 Ca 0.03 -0.44 -0.30 0.00 0.31 0.00 0.00 61.69 61.29 3kch s THR 107 Cb -0.08 -0.85 -0.09 0.00 0.01 0.00 0.00 72.50 71.49 3kch s THR 107 CO 0.03 0.29 1.31 -0.75 -0.69 0.00 0.00 174.62 174.82 3kch s LYS 108 N 0.25 4.38 0.00 4.92 2.20 -1.26 0.36 119.74 130.59 3kch s LYS 108 Ca -0.05 2.05 0.00 0.00 -0.36 0.00 0.00 55.97 57.61 3kch s LYS 108 Cb -0.10 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 3kch s LYS 108 CO 0.01 -0.27 0.00 0.44 -0.36 0.00 0.00 175.35 175.17 3kch n ILE 109 N 2.80 0.00 -1.36 5.43 -5.35 0.20 -4.90 119.36 116.19 3kch n ILE 109 Ca 0.07 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 3kch n ILE 109 Cb 0.43 0.96 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 3kch n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33