#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1buj s VAL 2 N 0.00 4.89 -0.21 0.00 -7.23 -1.26 -5.06 120.40 111.53 1buj s VAL 2 Ca 0.00 -0.11 -0.20 0.00 -1.81 0.00 0.00 61.98 59.86 1buj s VAL 2 Cb 0.00 -3.83 -0.03 0.00 0.56 0.00 0.00 36.38 33.09 1buj s VAL 2 CO 0.00 -0.69 0.60 -0.63 -0.31 0.00 0.00 175.10 174.07 1buj s ILE 3 N -2.57 5.03 -0.33 -0.62 -1.09 -1.26 -4.88 121.20 115.47 1buj s ILE 3 Ca 0.45 1.12 0.13 0.00 -2.23 0.00 0.00 60.65 60.12 1buj s ILE 3 Cb -0.10 -3.92 0.41 0.00 -1.58 0.00 0.00 42.46 37.27 1buj s ILE 3 CO 0.41 0.11 1.52 -0.46 -1.23 0.00 0.00 174.94 175.29 1buj n ASN 4 N 5.14 -1.34 -4.71 3.58 6.94 -1.26 -4.85 115.26 118.76 1buj n ASN 4 Ca -0.02 -2.21 -0.24 0.00 -0.02 0.00 0.00 54.58 52.09 1buj n ASN 4 Cb 0.50 0.64 -0.07 0.00 -2.36 0.00 0.00 39.78 38.48 1buj n ASN 4 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1buj s THR 5 N -0.03 2.61 0.11 5.53 -4.23 -1.26 -0.88 115.64 117.48 1buj s THR 5 Ca 0.10 -1.77 -0.18 0.00 -1.18 0.00 0.00 61.69 58.65 1buj s THR 5 Cb 0.44 -2.94 -0.05 0.00 1.34 0.00 0.00 72.50 71.29 1buj s THR 5 CO -0.12 -0.11 1.65 -0.26 -0.54 0.00 0.00 174.62 175.23 1buj h PHE 6 N 1.57 0.43 -0.12 3.99 0.04 -1.97 -0.37 116.94 120.51 1buj h PHE 6 Ca -0.43 -0.03 -0.20 0.00 2.80 0.00 0.00 57.97 60.11 1buj h PHE 6 Cb 1.25 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 39.27 1buj h PHE 6 CO 0.65 0.43 -0.72 -0.44 -0.60 0.00 0.00 178.31 177.63 1buj h ASP 7 N 0.30 0.67 0.10 2.17 5.19 -1.99 -2.72 116.42 120.14 1buj h ASP 7 Ca 0.09 -0.43 -0.01 0.00 -0.62 0.00 0.00 57.03 56.07 1buj h ASP 7 Cb 0.19 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1buj h ASP 7 CO -0.01 1.19 -0.05 1.23 -3.12 0.00 0.00 179.24 178.48 1buj h GLY 8 N 1.00 -0.15 1.06 2.75 0.00 -1.93 -2.53 103.07 103.28 1buj h GLY 8 Ca -0.03 0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 1buj h GLY 8 CO 0.14 -0.05 0.19 -2.08 0.00 0.00 0.00 176.54 174.73 1buj h VAL 9 N -0.66 1.26 -0.85 4.60 2.07 -1.19 -2.22 116.25 119.27 1buj h VAL 9 Ca -0.01 -0.95 0.14 0.00 0.82 0.00 0.00 66.70 66.70 1buj h VAL 9 Cb 0.51 0.51 -0.09 0.00 -1.52 0.00 0.00 31.29 30.71 1buj h VAL 9 CO 0.02 0.37 0.45 0.00 0.02 0.00 0.00 177.57 178.43 1buj h ALA 10 N 1.10 1.27 -0.12 1.67 0.00 -1.45 -0.94 119.26 120.79 1buj h ALA 10 Ca 0.23 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1buj h ALA 10 Cb 0.35 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1buj h ALA 10 CO -0.00 -0.05 -0.00 -0.44 0.00 0.00 0.00 179.25 178.76 1buj h ASP 11 N 0.66 0.20 -0.05 0.00 3.32 -0.97 -3.18 116.42 116.40 1buj h ASP 11 Ca 0.45 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1buj h ASP 11 Cb 0.60 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1buj h ASP 11 CO -0.34 0.46 -0.02 1.88 -1.72 0.00 0.00 179.24 179.50 1buj h TYR 12 N -0.07 0.21 0.31 4.55 -1.99 -0.64 -0.13 116.97 119.21 1buj h TYR 12 Ca 0.03 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1buj h TYR 12 Cb 0.36 -0.07 -0.03 0.00 2.00 0.00 0.00 36.73 39.00 1buj h TYR 12 CO 0.03 0.25 -0.36 -0.07 -0.00 0.00 0.00 178.16 178.01 1buj h LEU 13 N 0.21 -0.98 -0.92 3.88 3.38 -1.24 -0.20 115.31 119.42 1buj h LEU 13 Ca 0.05 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1buj h LEU 13 Cb 0.19 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1buj h LEU 13 CO 0.01 -0.49 0.10 0.40 0.09 0.00 0.00 178.44 178.55 1buj h ILE 14 N -0.71 1.24 0.37 1.22 5.03 -1.37 0.36 117.51 123.65 1buj h ILE 14 Ca -0.01 -0.91 -0.02 0.00 -0.12 0.00 0.00 64.86 63.80 1buj h ILE 14 Cb 0.66 0.69 0.00 0.00 -3.03 0.00 0.00 36.82 35.14 1buj h ILE 14 CO -0.09 0.34 -0.18 -0.09 -0.68 0.00 0.00 178.15 177.44 1buj h ARG 15 N 0.85 -0.47 -0.02 2.37 2.43 -0.63 -3.31 114.38 115.60 1buj h ARG 15 Ca 0.18 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1buj h ARG 15 Cb 0.36 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1buj h ARG 15 CO 0.01 -0.32 -0.19 0.66 -1.51 0.00 0.00 179.97 178.62 1buj n TYR 16 N -4.50 0.00 -2.37 2.20 4.01 -0.13 -4.93 117.16 111.46 1buj n TYR 16 Ca -0.06 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.57 1buj n TYR 16 Cb 0.19 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 1buj n TYR 16 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1buj n LYS 17 N 0.09 -1.48 -3.88 -0.72 3.00 0.09 -4.97 118.16 110.29 1buj n LYS 17 Ca 0.14 0.51 -0.00 0.00 -0.00 0.00 0.00 58.31 58.96 1buj n LYS 17 Cb 0.43 -4.57 0.01 0.00 0.00 0.00 0.00 35.03 30.90 1buj n LYS 17 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1buj s ARG 18 N -4.76 0.81 1.12 1.64 1.70 -1.05 -5.02 118.95 113.40 1buj s ARG 18 Ca 0.06 -0.51 -0.12 0.00 -0.47 0.00 0.00 55.73 54.68 1buj s ARG 18 Cb -0.02 0.23 0.26 0.00 -0.57 0.00 0.00 34.95 34.85 1buj s ARG 18 CO 0.07 -0.38 1.05 -0.51 -1.08 0.00 0.00 175.30 174.45 1buj s LEU 19 N -3.48 1.18 0.79 -1.89 1.43 -1.26 -3.19 118.68 112.25 1buj s LEU 19 Ca 0.23 1.61 -0.11 0.00 -1.03 0.00 0.00 54.13 54.83 1buj s LEU 19 Cb -0.01 -3.61 0.06 0.00 0.03 0.00 0.00 46.19 42.67 1buj s LEU 19 CO 0.01 -4.00 1.09 -2.16 0.23 0.00 0.00 176.35 171.53 1buj s PRO 20 N -4.51 2.17 0.00 1.29 0.04 -1.26 -4.92 135.00 127.81 1buj s PRO 20 Ca 0.68 0.67 0.21 0.00 0.04 0.00 0.00 61.00 62.60 1buj s PRO 20 Cb -0.24 -1.93 0.71 0.00 0.04 0.00 0.00 34.50 33.08 1buj s PRO 20 CO 0.63 -1.57 1.53 -3.47 0.04 0.00 0.00 177.00 174.17 1buj n ASP 21 N -3.40 1.80 0.13 6.66 2.03 -1.26 -3.09 116.55 119.42 1buj n ASP 21 Ca 0.07 -1.74 0.13 0.00 0.52 0.00 0.00 54.79 53.77 1buj n ASP 21 Cb 0.56 -0.12 0.41 0.00 -0.72 0.00 0.00 41.12 41.25 1buj n ASP 21 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1buj h ASN 22 N 2.38 0.00 -3.66 1.67 -1.07 -1.90 -3.42 115.58 109.58 1buj h ASN 22 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 56.30 55.75 1buj h ASN 22 Cb 0.52 0.00 -0.14 0.00 -2.07 0.00 0.00 38.32 36.63 1buj h ASN 22 CO 0.00 0.00 -0.40 -0.31 0.07 0.00 0.00 177.43 176.79 1buj s TYR 23 N -3.17 3.29 0.39 4.14 2.02 -1.18 -2.36 117.35 120.48 1buj s TYR 23 Ca 0.09 0.31 0.08 0.00 -0.37 0.00 0.00 57.07 57.17 1buj s TYR 23 Cb 0.11 -2.40 -0.01 0.00 -0.40 0.00 0.00 41.96 39.26 1buj s TYR 23 CO 0.56 -0.05 0.41 0.96 -1.57 0.00 0.00 175.55 175.87 1buj s ILE 24 N 1.44 3.14 0.65 2.71 -4.36 -0.40 -4.75 121.20 119.64 1buj s ILE 24 Ca 0.11 -1.22 -0.06 0.00 -0.26 0.00 0.00 60.65 59.21 1buj s ILE 24 Cb -0.15 -3.10 0.04 0.00 1.25 0.00 0.00 42.46 40.50 1buj s ILE 24 CO 0.08 -0.06 0.96 0.42 0.24 0.00 0.00 174.94 176.58 1buj s THR 25 N -2.36 2.89 0.21 8.37 -4.23 -1.24 -0.96 115.64 118.31 1buj s THR 25 Ca 0.48 -0.14 -0.09 0.00 -1.18 0.00 0.00 61.69 60.75 1buj s THR 25 Cb -0.06 -3.20 0.14 0.00 1.34 0.00 0.00 72.50 70.72 1buj s THR 25 CO 0.29 -0.21 1.76 0.11 -0.54 0.00 0.00 174.62 176.03 1buj h LYS 26 N -0.41 0.47 -0.74 3.99 1.57 -1.95 -2.13 116.57 117.38 1buj h LYS 26 Ca -0.45 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.35 1buj h LYS 26 Cb 1.29 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.45 1buj h LYS 26 CO 0.60 0.31 0.48 0.77 -0.57 0.00 0.00 179.45 181.05 1buj h SER 27 N 0.48 0.74 -0.07 0.86 0.02 -1.98 0.80 113.55 114.40 1buj h SER 27 Ca 0.31 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.18 1buj h SER 27 Cb 0.33 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1buj h SER 27 CO -0.27 0.50 -0.23 1.56 -1.14 0.00 0.00 176.83 177.26 1buj h GLN 28 N 0.86 0.27 -0.85 3.45 1.08 -1.78 -1.21 115.11 116.93 1buj h GLN 28 Ca 0.30 -0.20 0.02 0.00 -1.45 0.00 0.00 58.65 57.32 1buj h GLN 28 Cb 0.11 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.53 1buj h GLN 28 CO -0.09 0.83 0.55 0.00 -0.95 0.00 0.00 178.83 179.17 1buj h ALA 29 N 0.44 1.10 -0.45 3.87 0.00 -0.97 -2.61 119.26 120.65 1buj h ALA 29 Ca -0.01 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1buj h ALA 29 Cb 0.85 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1buj h ALA 29 CO 0.05 0.43 -0.26 0.77 0.00 0.00 0.00 179.25 180.24 1buj h SER 30 N 1.10 0.99 -0.87 0.00 0.02 -0.75 -0.96 113.55 113.08 1buj h SER 30 Ca 0.33 -0.39 0.07 0.00 -0.84 0.00 0.00 61.79 60.95 1buj h SER 30 Cb -0.05 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 62.16 1buj h SER 30 CO -0.09 1.18 0.57 0.00 -1.14 0.00 0.00 176.83 177.34 1buj h ALA 31 N 0.88 1.55 0.00 3.77 0.00 -0.98 0.88 119.26 125.36 1buj h ALA 31 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1buj h ALA 31 Cb 0.83 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1buj h ALA 31 CO 0.07 0.31 0.00 -0.07 0.00 0.00 0.00 179.25 179.57 1buj h LEU 32 N 0.97 0.00 0.00 0.00 3.38 -0.98 -3.46 115.31 115.22 1buj h LEU 32 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1buj h LEU 32 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1buj h LEU 32 CO -0.14 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.00 1buj n GLY 33 N 0.53 1.57 3.76 0.83 0.00 0.30 -4.97 105.19 107.21 1buj n GLY 33 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1buj n GLY 33 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1buj s TRP 34 N -2.00 2.59 0.01 1.61 -0.00 -0.46 -4.98 118.94 115.71 1buj s TRP 34 Ca 0.00 1.37 0.04 0.00 -0.00 0.00 0.00 56.10 57.51 1buj s TRP 34 Cb 0.00 -3.75 -0.01 0.00 -0.00 0.00 0.00 33.47 29.71 1buj s TRP 34 CO 0.00 -2.48 -0.13 0.08 -0.00 0.00 0.00 176.95 174.42 1buj s VAL 35 N -1.28 1.02 -1.52 5.86 1.01 -1.23 -4.34 120.40 119.92 1buj s VAL 35 Ca 0.62 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 1buj s VAL 35 Cb -0.39 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1buj s VAL 35 CO 0.50 0.19 2.76 0.00 0.00 0.00 0.00 175.10 178.54 1buj n ALA 36 N 2.48 7.29 0.00 5.51 0.00 -1.26 -3.37 120.51 131.16 1buj n ALA 36 Ca -0.15 -3.73 0.00 0.00 0.00 0.00 0.00 53.44 49.56 1buj n ALA 36 Cb 0.55 -3.18 0.00 0.00 0.00 0.00 0.00 19.45 16.83 1buj n ALA 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1buj n SER 37 N 2.99 0.00 -4.00 0.00 2.88 -1.26 -5.01 113.62 109.23 1buj n SER 37 Ca 0.73 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 58.17 1buj n SER 37 Cb 0.24 0.11 -0.11 0.00 -0.75 0.00 0.00 64.21 63.70 1buj n SER 37 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1buj s LYS 38 N -1.96 0.35 -0.11 -1.46 -2.85 -1.22 -5.00 119.74 107.50 1buj s LYS 38 Ca 0.00 -0.64 -0.06 0.00 -1.00 0.00 0.00 55.97 54.26 1buj s LYS 38 Cb 0.00 0.05 0.02 0.00 -2.06 0.00 0.00 37.83 35.84 1buj s LYS 38 CO 0.00 -0.03 0.12 0.41 0.10 0.00 0.00 175.35 175.95 1buj n GLY 39 N 1.55 -4.17 3.63 0.59 0.00 -1.26 -3.51 105.19 102.02 1buj n GLY 39 Ca -0.24 0.75 -0.30 0.00 0.00 0.00 0.00 46.02 46.23 1buj n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1buj s ASN 40 N -0.42 2.51 0.02 1.61 4.22 -1.26 -4.10 114.94 117.51 1buj s ASN 40 Ca -0.14 1.75 -0.27 0.00 -2.14 0.00 0.00 52.86 52.06 1buj s ASN 40 Cb 0.01 -2.37 -0.15 0.00 1.28 0.00 0.00 41.25 40.02 1buj s ASN 40 CO 0.43 -3.28 1.14 0.25 -2.04 0.00 0.00 177.10 173.60 1buj h LEU 41 N -1.99 -0.83 -1.96 3.54 5.85 -1.86 -3.01 115.31 115.05 1buj h LEU 41 Ca -0.51 0.03 0.24 0.00 0.84 0.00 0.00 57.88 58.48 1buj h LEU 41 Cb 1.29 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.50 1buj h LEU 41 CO 0.49 -0.46 0.61 0.00 -0.34 0.00 0.00 178.44 178.73 1buj h ALA 42 N -1.27 2.76 -0.24 1.25 0.00 -1.73 0.29 119.26 120.31 1buj h ALA 42 Ca -0.10 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1buj h ALA 42 Cb 0.76 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1buj h ALA 42 CO 0.17 -1.00 0.10 1.49 0.00 0.00 0.00 179.25 180.00 1buj h GLU 43 N 0.03 0.21 0.05 0.00 4.81 -1.89 -2.47 114.58 115.31 1buj h GLU 43 Ca 0.41 -0.01 -0.35 0.00 -0.13 0.00 0.00 59.36 59.28 1buj h GLU 43 Cb 1.58 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.87 1buj h GLU 43 CO -0.02 0.14 -2.06 0.28 -0.73 0.00 0.00 179.01 176.62 1buj n VAL 44 N -5.01 1.62 -3.58 0.32 0.31 0.79 -4.63 118.33 108.14 1buj n VAL 44 Ca -0.02 -0.71 -0.29 0.00 -0.01 0.00 0.00 64.34 63.31 1buj n VAL 44 Cb 0.07 -1.29 -0.12 0.00 -0.91 0.00 0.00 33.84 31.60 1buj n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1buj s ALA 45 N -2.55 1.79 0.59 3.52 0.00 0.10 -4.93 121.76 120.27 1buj s ALA 45 Ca -0.18 -2.48 -0.16 0.00 0.00 0.00 0.00 51.96 49.15 1buj s ALA 45 Cb 0.07 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 1buj s ALA 45 CO 0.76 -2.06 1.05 -1.25 0.00 0.00 0.00 175.76 174.27 1buj s PRO 46 N 0.31 3.37 0.00 0.00 0.04 -0.93 -3.49 135.00 134.29 1buj s PRO 46 Ca 0.22 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1buj s PRO 46 Cb -0.15 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1buj s PRO 46 CO -0.06 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 176.62 1buj n GLY 47 N -1.12 0.87 3.14 0.56 0.00 -1.26 -4.96 105.19 102.43 1buj n GLY 47 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1buj n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1buj s LYS 48 N -0.09 1.19 0.46 1.61 3.01 -1.23 -4.91 119.74 119.79 1buj s LYS 48 Ca 0.00 -0.63 0.03 0.00 -1.01 0.00 0.00 55.97 54.36 1buj s LYS 48 Cb 0.00 -1.18 -0.03 0.00 -1.01 0.00 0.00 37.83 35.61 1buj s LYS 48 CO 0.00 0.32 0.04 -1.12 0.51 0.00 0.00 175.35 175.10 1buj s SER 49 N -0.60 3.63 -0.03 2.83 0.01 -0.99 -4.73 113.70 113.82 1buj s SER 49 Ca 0.05 -1.60 -0.20 0.00 1.31 0.00 0.00 55.95 55.50 1buj s SER 49 Cb -0.07 0.35 -0.05 0.00 0.21 0.00 0.00 66.02 66.47 1buj s SER 49 CO 0.00 -0.80 0.59 -0.63 0.41 0.00 0.00 173.24 172.80 1buj s ILE 50 N -2.97 4.97 -0.04 1.44 -1.09 -1.26 -1.27 121.20 120.98 1buj s ILE 50 Ca 0.16 1.22 -0.30 0.00 -2.23 0.00 0.00 60.65 59.50 1buj s ILE 50 Cb 0.03 -3.92 0.11 0.00 -1.58 0.00 0.00 42.46 37.10 1buj s ILE 50 CO 0.09 0.39 1.10 -0.83 -1.23 0.00 0.00 174.94 174.45 1buj s GLY 51 N 0.02 -0.36 0.00 6.18 0.00 -0.13 -1.49 107.32 111.54 1buj s GLY 51 Ca 0.31 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.99 1buj s GLY 51 CO 0.16 0.29 0.00 0.61 0.00 0.00 0.00 173.10 174.16 1buj n GLY 52 N -0.29 0.70 3.91 0.20 0.00 -0.65 -3.71 105.19 105.33 1buj n GLY 52 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1buj n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1buj s ASP 53 N -2.20 6.46 0.23 1.61 1.11 -1.22 -4.89 116.67 117.77 1buj s ASP 53 Ca 0.00 0.56 -0.29 0.00 0.18 0.00 0.00 52.55 52.99 1buj s ASP 53 Cb 0.00 -2.08 -0.09 0.00 1.07 0.00 0.00 42.92 41.83 1buj s ASP 53 CO 0.00 -0.00 0.92 -0.69 1.18 0.00 0.00 175.17 176.58 1buj s VAL 54 N -1.76 4.13 0.00 -1.27 1.01 -1.26 -1.25 120.40 120.00 1buj s VAL 54 Ca 0.41 2.04 0.08 0.00 0.00 0.00 0.00 61.98 64.51 1buj s VAL 54 Cb -0.12 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 1buj s VAL 54 CO 0.26 0.50 -0.26 0.12 0.00 0.00 0.00 175.10 175.72 1buj s PHE 55 N -1.12 2.28 -0.58 5.22 2.19 -0.90 -4.82 117.98 120.24 1buj s PHE 55 Ca 0.41 -0.42 -0.25 0.00 0.33 0.00 0.00 56.93 57.00 1buj s PHE 55 Cb -0.26 -1.43 0.04 0.00 -1.31 0.00 0.00 43.02 40.06 1buj s PHE 55 CO 0.31 0.01 1.00 -1.54 1.83 0.00 0.00 175.22 176.83 1buj s SER 56 N -0.80 6.32 -0.04 6.13 1.04 -1.26 -4.33 113.70 120.76 1buj s SER 56 Ca 0.10 -0.39 -0.08 0.00 0.48 0.00 0.00 55.95 56.06 1buj s SER 56 Cb -0.10 -2.46 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 1buj s SER 56 CO -0.00 -1.33 0.42 -1.13 0.98 0.00 0.00 173.24 172.17 1buj h ASN 57 N 9.42 -0.24 -6.63 7.02 -1.24 -1.94 -3.46 115.58 118.51 1buj h ASN 57 Ca -0.26 0.01 -0.53 0.00 0.71 0.00 0.00 56.30 56.23 1buj h ASN 57 Cb 1.07 0.06 -0.10 0.00 0.73 0.00 0.00 38.32 40.09 1buj h ASN 57 CO 1.13 0.07 -0.90 -1.14 -1.29 0.00 0.00 177.43 175.30 1buj n ARG 58 N -4.12 -2.82 -3.87 6.67 0.63 -1.26 0.09 116.66 111.98 1buj n ARG 58 Ca -0.04 0.34 -0.28 0.00 -0.92 0.00 0.00 57.85 56.95 1buj n ARG 58 Cb 0.11 -4.39 0.03 0.00 0.45 0.00 0.00 32.46 28.66 1buj n ARG 58 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1buj n GLU 59 N -4.43 -5.35 -2.77 -0.14 1.02 -1.26 -4.88 120.64 102.83 1buj n GLU 59 Ca -0.29 0.60 -0.41 0.00 -0.02 0.00 0.00 57.16 57.04 1buj n GLU 59 Cb 0.67 -5.40 0.02 0.00 -0.02 0.00 0.00 31.44 26.71 1buj n GLU 59 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1buj n GLY 60 N -1.68 5.82 2.26 0.62 0.00 0.11 -4.70 105.19 107.63 1buj n GLY 60 Ca -0.04 -2.61 0.00 0.00 0.00 0.00 0.00 46.02 43.36 1buj n GLY 60 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1buj n ARG 61 N 0.39 0.00 -4.20 1.61 3.00 -1.26 -4.99 116.66 111.21 1buj n ARG 61 Ca 0.40 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.98 1buj n ARG 61 Cb 0.29 -1.43 -0.08 0.00 0.00 0.00 0.00 32.46 31.24 1buj n ARG 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1buj s LEU 62 N 0.00 3.35 0.93 6.15 1.43 -1.26 -4.83 118.68 124.45 1buj s LEU 62 Ca 0.00 -0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 52.59 1buj s LEU 62 Cb 0.00 -1.99 0.15 0.00 0.03 0.00 0.00 46.19 44.38 1buj s LEU 62 CO 0.00 0.09 1.15 -2.16 0.23 0.00 0.00 176.35 175.65 1buj s PRO 63 N -2.96 0.97 0.08 1.29 0.04 -1.26 -4.36 135.00 128.80 1buj s PRO 63 Ca 0.28 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1buj s PRO 63 Cb -0.09 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1buj s PRO 63 CO 0.19 -2.30 0.00 0.43 0.04 0.00 0.00 177.00 175.36 1buj n SER 64 N -3.82 -4.60 -3.26 6.66 7.64 -1.26 -4.85 113.62 110.14 1buj n SER 64 Ca 0.07 0.51 -0.11 0.00 1.01 0.00 0.00 58.87 60.36 1buj n SER 64 Cb 0.59 -2.52 -0.01 0.00 -1.01 0.00 0.00 64.21 61.26 1buj n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1buj s ALA 65 N -0.19 -0.10 -1.02 -0.43 0.00 -1.26 -4.66 121.76 114.10 1buj s ALA 65 Ca 0.00 -1.05 -0.08 0.00 0.00 0.00 0.00 51.96 50.83 1buj s ALA 65 Cb 0.00 0.93 -0.05 0.00 0.00 0.00 0.00 23.12 24.01 1buj s ALA 65 CO 0.00 -0.89 0.86 0.43 0.00 0.00 0.00 175.76 176.15 1buj n SER 66 N -1.21 -6.50 0.00 0.00 7.64 -1.26 -4.03 113.62 108.26 1buj n SER 66 Ca -0.03 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.15 1buj n SER 66 Cb 0.61 -4.76 0.00 0.00 -1.01 0.00 0.00 64.21 59.05 1buj n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1buj n GLY 67 N -1.41 1.48 3.32 0.23 0.00 -1.26 -5.08 105.19 102.47 1buj n GLY 67 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 1buj n GLY 67 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1buj s ARG 68 N 0.00 3.22 0.24 1.61 6.06 -1.26 -5.09 118.95 123.74 1buj s ARG 68 Ca 0.00 -0.75 -0.02 0.00 -2.50 0.00 0.00 55.73 52.46 1buj s ARG 68 Cb 0.00 -3.18 -0.05 0.00 0.06 0.00 0.00 34.95 31.78 1buj s ARG 68 CO 0.00 -0.32 0.46 0.99 -2.50 0.00 0.00 175.30 173.94 1buj s THR 69 N 1.48 5.13 0.03 4.11 2.01 -1.26 -4.46 115.64 122.68 1buj s THR 69 Ca 0.04 -0.20 0.06 0.00 0.31 0.00 0.00 61.69 61.90 1buj s THR 69 Cb -0.16 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 1buj s THR 69 CO -0.00 -0.25 -0.18 0.26 -0.69 0.00 0.00 174.62 173.75 1buj s TRP 70 N -1.98 1.60 0.04 4.92 0.52 -1.26 -1.98 118.94 120.80 1buj s TRP 70 Ca 0.41 -0.36 0.03 0.00 0.02 0.00 0.00 56.10 56.20 1buj s TRP 70 Cb -0.11 -0.96 -0.02 0.00 -1.15 0.00 0.00 33.47 31.23 1buj s TRP 70 CO 0.30 0.06 -0.10 1.03 0.02 0.00 0.00 176.95 178.26 1buj s ARG 71 N -1.06 0.66 0.37 4.98 0.52 -0.55 -2.12 118.95 121.74 1buj s ARG 71 Ca 0.06 -0.68 0.08 0.00 -0.52 0.00 0.00 55.73 54.67 1buj s ARG 71 Cb -0.08 -0.57 -0.06 0.00 0.52 0.00 0.00 34.95 34.76 1buj s ARG 71 CO 0.01 0.13 0.01 -1.83 0.02 0.00 0.00 175.30 173.65 1buj s GLU 72 N -1.21 2.01 -0.03 3.54 -1.05 -0.38 -1.17 118.70 120.42 1buj s GLU 72 Ca -0.03 -1.89 -0.27 0.00 -0.15 0.00 0.00 54.97 52.62 1buj s GLU 72 Cb -0.08 -1.82 0.06 0.00 -0.44 0.00 0.00 34.13 31.86 1buj s GLU 72 CO 0.01 0.05 0.60 0.00 0.95 0.00 0.00 175.26 176.87 1buj s ALA 73 N -2.60 -1.57 0.30 -0.84 0.00 -0.71 -1.64 121.76 114.70 1buj s ALA 73 Ca 0.35 1.07 -0.28 0.00 0.00 0.00 0.00 51.96 53.10 1buj s ALA 73 Cb 0.04 0.07 -0.09 0.00 0.00 0.00 0.00 23.12 23.14 1buj s ALA 73 CO 0.19 -0.38 1.04 -0.51 0.00 0.00 0.00 175.76 176.10 1buj s ASP 74 N -1.33 7.27 -0.08 0.00 1.01 -0.56 -1.55 116.67 121.44 1buj s ASP 74 Ca -0.11 2.11 0.05 0.00 0.71 0.00 0.00 52.55 55.31 1buj s ASP 74 Cb -0.01 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.31 1buj s ASP 74 CO 0.07 -0.13 -0.24 -0.63 0.21 0.00 0.00 175.17 174.46 1buj s ILE 75 N -1.30 2.00 -1.22 0.77 -1.09 -0.79 -4.80 121.20 114.77 1buj s ILE 75 Ca 0.47 -1.01 -0.08 0.00 -2.23 0.00 0.00 60.65 57.80 1buj s ILE 75 Cb -0.27 -1.71 -0.01 0.00 -1.58 0.00 0.00 42.46 38.88 1buj s ILE 75 CO 0.35 0.55 0.74 0.59 -1.23 0.00 0.00 174.94 175.94 1buj n ASN 76 N 3.24 -3.22 -3.15 3.58 3.02 -0.06 -4.73 115.26 113.95 1buj n ASN 76 Ca -0.18 -0.88 0.05 0.00 -0.03 0.00 0.00 54.58 53.54 1buj n ASN 76 Cb 0.52 -3.93 -0.00 0.00 -0.61 0.00 0.00 39.78 35.76 1buj n ASN 76 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1buj s TYR 77 N -3.59 -0.71 -0.17 3.10 2.02 -1.26 -5.05 117.35 111.69 1buj s TYR 77 Ca 0.22 0.48 -0.06 0.00 -0.37 0.00 0.00 57.07 57.34 1buj s TYR 77 Cb -0.06 0.15 -0.09 0.00 -0.40 0.00 0.00 41.96 41.56 1buj s TYR 77 CO 0.82 -0.41 -0.20 0.28 -1.57 0.00 0.00 175.55 174.47 1buj n VAL 78 N 5.23 0.97 -2.87 0.71 0.31 -1.26 -4.74 118.33 116.68 1buj n VAL 78 Ca 0.05 -0.28 -0.31 0.00 -0.01 0.00 0.00 64.34 63.79 1buj n VAL 78 Cb 0.56 -1.54 -0.04 0.00 -0.91 0.00 0.00 33.84 31.91 1buj n VAL 78 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1buj s SER 79 N -6.30 6.58 0.00 4.52 1.04 -1.26 -4.17 113.70 114.12 1buj s SER 79 Ca -0.24 1.20 0.00 0.00 0.48 0.00 0.00 55.95 57.39 1buj s SER 79 Cb 0.08 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.85 1buj s SER 79 CO 0.33 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.79 1buj n GLY 80 N -1.13 0.48 3.94 7.32 0.00 -1.26 -4.89 105.19 109.64 1buj n GLY 80 Ca 0.03 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.80 1buj n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1buj s PHE 81 N -1.60 1.30 0.12 1.61 0.08 -1.26 -3.78 117.98 114.45 1buj s PHE 81 Ca 0.00 0.21 -0.33 0.00 0.12 0.00 0.00 56.93 56.93 1buj s PHE 81 Cb 0.00 -4.24 -0.13 0.00 -0.57 0.00 0.00 43.02 38.08 1buj s PHE 81 CO 0.00 -2.83 1.69 0.54 -0.10 0.00 0.00 175.22 174.52 1buj n ARG 82 N -3.85 2.32 -2.98 0.44 5.12 -1.26 -4.94 116.66 111.52 1buj n ARG 82 Ca 0.17 0.84 -0.18 0.00 -1.93 0.00 0.00 57.85 56.74 1buj n ARG 82 Cb 0.59 -2.65 0.03 0.00 -1.16 0.00 0.00 32.46 29.27 1buj n ARG 82 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1buj s ASN 83 N 1.75 5.38 -0.12 0.55 4.22 -1.26 -5.04 114.94 120.42 1buj s ASN 83 Ca 0.81 -0.54 -0.07 0.00 -2.14 0.00 0.00 52.86 50.92 1buj s ASN 83 Cb -0.63 -0.30 -0.26 0.00 1.28 0.00 0.00 41.25 41.33 1buj s ASN 83 CO 0.39 -1.04 0.37 0.00 -2.04 0.00 0.00 177.10 174.78 1buj n ALA 84 N -2.07 0.88 -2.18 3.54 0.00 -1.26 -4.82 120.51 114.61 1buj n ALA 84 Ca 0.11 -0.58 -0.41 0.00 0.00 0.00 0.00 53.44 52.56 1buj n ALA 84 Cb 0.60 -0.69 -0.03 0.00 0.00 0.00 0.00 19.45 19.34 1buj n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1buj s ASP 85 N -7.05 5.87 0.06 0.00 1.11 -1.26 -4.05 116.67 111.35 1buj s ASP 85 Ca -0.22 0.69 -0.03 0.00 0.18 0.00 0.00 52.55 53.17 1buj s ASP 85 Cb 0.07 -2.53 -0.03 0.00 1.07 0.00 0.00 42.92 41.49 1buj s ASP 85 CO 0.77 -1.84 0.02 -0.13 1.18 0.00 0.00 175.17 175.17 1buj s ARG 86 N 5.86 0.64 -0.08 8.23 0.52 -0.35 -1.88 118.95 131.89 1buj s ARG 86 Ca 0.66 -1.11 0.03 0.00 -0.52 0.00 0.00 55.73 54.79 1buj s ARG 86 Cb -0.15 0.23 0.01 0.00 0.52 0.00 0.00 34.95 35.56 1buj s ARG 86 CO 0.28 -0.14 -0.18 -1.17 0.02 0.00 0.00 175.30 174.11 1buj s LEU 87 N -2.79 1.86 -0.12 2.53 0.20 -0.60 -1.60 118.68 118.17 1buj s LEU 87 Ca 0.05 -0.41 0.01 0.00 0.69 0.00 0.00 54.13 54.46 1buj s LEU 87 Cb 0.06 -1.09 0.02 0.00 -0.43 0.00 0.00 46.19 44.75 1buj s LEU 87 CO -0.09 0.10 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.24 1buj s VAL 88 N 0.46 1.38 0.08 1.68 1.01 0.05 -1.74 120.40 123.33 1buj s VAL 88 Ca -0.15 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.33 1buj s VAL 88 Cb -0.16 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1buj s VAL 88 CO 0.06 0.42 -0.14 -0.72 0.00 0.00 0.00 175.10 174.72 1buj s TYR 89 N 1.25 1.28 0.67 5.22 1.13 -0.31 -1.31 117.35 125.27 1buj s TYR 89 Ca -0.02 -0.49 -0.03 0.00 -1.41 0.00 0.00 57.07 55.13 1buj s TYR 89 Cb -0.14 -0.71 0.08 0.00 -1.10 0.00 0.00 41.96 40.10 1buj s TYR 89 CO -0.05 0.08 0.95 -1.54 -2.51 0.00 0.00 175.55 172.47 1buj s SER 90 N -1.93 4.71 0.27 -0.18 1.04 -0.76 -1.49 113.70 115.37 1buj s SER 90 Ca 0.01 0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.45 1buj s SER 90 Cb -0.09 -0.62 0.37 0.00 0.10 0.00 0.00 66.02 65.78 1buj s SER 90 CO 0.02 -1.60 1.76 0.28 0.98 0.00 0.00 173.24 174.68 1buj h SER 91 N -0.41 0.68 -0.50 7.02 0.02 -1.76 -1.65 113.55 116.95 1buj h SER 91 Ca -0.41 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1buj h SER 91 Cb 1.29 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1buj h SER 91 CO 0.50 0.79 0.00 -0.90 -1.14 0.00 0.00 176.83 176.08 1buj n ASP 92 N -4.20 4.21 -2.46 3.07 5.75 -1.26 -4.93 116.55 116.73 1buj n ASP 92 Ca 0.02 -2.48 -0.02 0.00 -0.01 0.00 0.00 54.79 52.29 1buj n ASP 92 Cb 0.32 -0.56 0.01 0.00 -1.03 0.00 0.00 41.12 39.86 1buj n ASP 92 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1buj n TRP 93 N 0.75 -1.69 -4.37 2.11 7.02 -0.62 -5.04 117.44 115.60 1buj n TRP 93 Ca 0.21 0.63 -0.33 0.00 -1.02 0.00 0.00 57.50 56.99 1buj n TRP 93 Cb 0.83 -3.16 -0.16 0.00 -2.42 0.00 0.00 31.31 26.40 1buj n TRP 93 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1buj s LEU 94 N -3.52 2.26 -0.12 -0.99 1.43 -1.26 -4.90 118.68 111.58 1buj s LEU 94 Ca 0.07 -0.57 -0.06 0.00 -1.03 0.00 0.00 54.13 52.54 1buj s LEU 94 Cb -0.01 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1buj s LEU 94 CO 0.44 0.04 0.10 -0.63 0.23 0.00 0.00 176.35 176.54 1buj s ILE 95 N 1.05 5.19 0.04 -0.59 1.01 -1.26 -1.82 121.20 124.81 1buj s ILE 95 Ca -0.01 0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.75 1buj s ILE 95 Cb -0.14 -3.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 1buj s ILE 95 CO -0.06 0.59 -0.07 -0.31 0.00 0.00 0.00 174.94 175.10 1buj s TYR 96 N -0.82 0.59 0.30 3.97 1.51 -0.43 -2.56 117.35 119.91 1buj s TYR 96 Ca 0.13 -0.54 0.08 0.00 -1.01 0.00 0.00 57.07 55.73 1buj s TYR 96 Cb -0.12 -0.36 -0.04 0.00 -0.11 0.00 0.00 41.96 41.33 1buj s TYR 96 CO 0.03 -0.12 0.17 -1.59 -1.11 0.00 0.00 175.55 172.93 1buj s LYS 97 N -1.73 2.60 -0.25 -0.62 0.00 -0.38 -0.77 119.74 118.58 1buj s LYS 97 Ca -0.10 -1.32 -0.15 0.00 0.00 0.00 0.00 55.97 54.41 1buj s LYS 97 Cb -0.09 -2.36 0.07 0.00 0.00 0.00 0.00 37.83 35.46 1buj s LYS 97 CO -0.00 0.24 0.63 -0.08 0.00 0.00 0.00 175.35 176.13 1buj s THR 98 N -2.29 -0.01 -0.85 3.79 -1.32 -0.63 -2.47 115.64 111.87 1buj s THR 98 Ca 0.36 0.02 0.20 0.00 -1.21 0.00 0.00 61.69 61.06 1buj s THR 98 Cb -0.06 -0.91 -0.22 0.00 -1.51 0.00 0.00 72.50 69.80 1buj s THR 98 CO 0.24 0.01 0.80 0.35 -2.21 0.00 0.00 174.62 173.80 1buj n THR 99 N 4.26 0.00 -1.90 5.08 -2.24 -1.26 -1.21 114.28 117.00 1buj n THR 99 Ca -0.21 -0.07 -0.27 0.00 -2.27 0.00 0.00 64.05 61.23 1buj n THR 99 Cb 0.58 0.91 0.03 0.00 -2.10 0.00 0.00 70.33 69.76 1buj n THR 99 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1buj n ASP 100 N -1.53 5.58 -2.80 3.42 5.68 -1.26 -4.34 116.55 121.29 1buj n ASP 100 Ca 0.03 -3.76 -0.12 0.00 -0.50 0.00 0.00 54.79 50.44 1buj n ASP 100 Cb 0.33 -0.50 0.06 0.00 -1.14 0.00 0.00 41.12 39.87 1buj n ASP 100 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1buj n HIS 101 N -0.74 -1.69 -3.80 2.11 -0.00 -1.26 -2.11 115.22 107.73 1buj n HIS 101 Ca 0.48 0.68 -0.20 0.00 -0.00 0.00 0.00 57.72 58.68 1buj n HIS 101 Cb 0.87 -4.11 0.01 0.00 -0.00 0.00 0.00 29.99 26.75 1buj n HIS 101 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.34 178.82 1buj n TYR 102 N -3.16 -0.62 -0.12 1.57 4.11 -1.26 -4.84 117.16 112.84 1buj n TYR 102 Ca -0.16 0.05 -0.23 0.00 -0.00 0.00 0.00 57.90 57.56 1buj n TYR 102 Cb 0.61 -1.19 -0.09 0.00 -0.00 0.00 0.00 39.34 38.68 1buj n TYR 102 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1buj n ALA 103 N -2.60 0.98 -2.34 -3.48 0.00 -0.90 -5.04 120.51 107.14 1buj n ALA 103 Ca -0.06 -0.84 -0.17 0.00 0.00 0.00 0.00 53.44 52.36 1buj n ALA 103 Cb 0.25 -0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.52 1buj n ALA 103 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1buj s THR 104 N -2.50 0.66 0.05 0.00 -4.23 -1.26 -4.98 115.64 103.36 1buj s THR 104 Ca -0.33 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.17 1buj s THR 104 Cb 0.10 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1buj s THR 104 CO 0.49 0.00 -0.03 -0.36 -0.54 0.00 0.00 174.62 174.18 1buj s PHE 105 N -3.68 0.50 -0.02 3.99 0.08 -1.26 -4.62 117.98 112.96 1buj s PHE 105 Ca 0.38 -1.02 0.00 0.00 0.12 0.00 0.00 56.93 56.41 1buj s PHE 105 Cb 0.08 -0.37 0.02 0.00 -0.57 0.00 0.00 43.02 42.18 1buj s PHE 105 CO 0.14 -0.37 0.00 0.99 -0.10 0.00 0.00 175.22 175.88 1buj s THR 106 N -3.74 0.12 0.10 0.64 2.01 -1.03 -4.96 115.64 108.77 1buj s THR 106 Ca 0.05 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 1buj s THR 106 Cb 0.07 -0.20 -0.06 0.00 0.01 0.00 0.00 72.50 72.32 1buj s THR 106 CO -0.09 0.11 1.18 -0.60 -0.69 0.00 0.00 174.62 174.53 1buj s ARG 107 N 0.76 4.47 -0.18 4.92 3.52 -1.26 -1.25 118.95 129.93 1buj s ARG 107 Ca -0.07 1.78 -0.01 0.00 -0.13 0.00 0.00 55.73 57.30 1buj s ARG 107 Cb -0.10 -3.32 -0.11 0.00 -1.56 0.00 0.00 34.95 29.86 1buj s ARG 107 CO -0.02 -0.18 -0.17 0.44 -0.81 0.00 0.00 175.30 174.56 1buj n ILE 108 N 3.48 1.00 0.25 4.11 -6.64 -1.06 -4.97 119.36 115.53 1buj n ILE 108 Ca 0.07 -0.36 0.02 0.00 -1.77 0.00 0.00 62.75 60.71 1buj n ILE 108 Cb 0.46 -1.24 0.12 0.00 -1.44 0.00 0.00 39.64 37.54 1buj n ILE 108 CO 0.00 0.00 0.00 -1.14 -1.77 0.00 0.00 176.55 173.64