#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1buj n VAL 2 N 0.00 0.00 -3.05 0.00 0.24 -1.26 -4.58 118.33 109.69 1buj n VAL 2 Ca 0.00 0.22 -0.42 0.00 -2.04 0.00 0.00 64.34 62.10 1buj n VAL 2 Cb 0.00 -0.51 -0.06 0.00 -1.47 0.00 0.00 33.84 31.80 1buj n VAL 2 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1buj s ILE 3 N -2.82 4.81 -0.25 1.34 1.01 -1.26 -4.82 121.20 119.21 1buj s ILE 3 Ca 0.00 0.62 0.10 0.00 0.00 0.00 0.00 60.65 61.37 1buj s ILE 3 Cb 0.00 -4.15 0.31 0.00 0.01 0.00 0.00 42.46 38.63 1buj s ILE 3 CO 0.00 -0.42 1.39 -0.46 0.00 0.00 0.00 174.94 175.46 1buj n ASN 4 N 6.24 -1.23 -4.54 3.58 6.94 -1.26 -4.84 115.26 120.14 1buj n ASN 4 Ca 0.00 -2.16 -0.26 0.00 -0.02 0.00 0.00 54.58 52.15 1buj n ASN 4 Cb 0.48 0.55 -0.11 0.00 -2.36 0.00 0.00 39.78 38.34 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 -0.02 2.10 0.12 5.53 -4.23 -1.26 -2.42 115.64 115.46 1buj s THR 5 Ca 0.08 -2.15 -0.19 0.00 -1.18 0.00 0.00 61.69 58.24 1buj s THR 5 Cb 0.33 -2.69 -0.05 0.00 1.34 0.00 0.00 72.50 71.43 1buj s THR 5 CO -0.10 -0.17 1.74 -0.26 -0.54 0.00 0.00 174.62 175.29 1buj h PHE 6 N 2.01 0.35 -0.09 3.99 0.04 -1.97 -0.11 116.94 121.15 1buj h PHE 6 Ca -0.42 -0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.12 1buj h PHE 6 Cb 1.25 -0.11 0.01 0.00 2.20 0.00 0.00 35.95 39.29 1buj h PHE 6 CO 0.75 0.28 -0.85 -0.44 -0.60 0.00 0.00 178.31 177.45 1buj h ASP 7 N 0.32 0.83 -0.12 2.17 5.19 -1.98 -2.64 116.42 120.18 1buj h ASP 7 Ca 0.09 -0.58 -0.03 0.00 -0.62 0.00 0.00 57.03 55.89 1buj h ASP 7 Cb 0.04 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.30 1buj h ASP 7 CO -0.02 1.37 -0.06 1.23 -3.12 0.00 0.00 179.24 178.65 1buj h GLY 8 N 0.70 0.27 1.07 2.75 0.00 -1.92 -0.86 103.07 105.08 1buj h GLY 8 Ca -0.07 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 1buj h GLY 8 CO 0.17 0.22 -0.10 -2.08 0.00 0.00 0.00 176.54 174.74 1buj h VAL 9 N -0.10 1.27 -0.84 4.60 2.07 -1.13 -1.88 116.25 120.23 1buj h VAL 9 Ca 0.03 -1.25 0.08 0.00 0.82 0.00 0.00 66.70 66.38 1buj h VAL 9 Cb 0.52 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 1buj h VAL 9 CO 0.02 0.44 0.50 0.00 0.02 0.00 0.00 177.57 178.55 1buj h ALA 10 N 0.91 1.18 -0.51 1.67 0.00 -1.33 0.06 119.26 121.25 1buj h ALA 10 Ca 0.13 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1buj h ALA 10 Cb 0.66 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1buj h ALA 10 CO 0.05 0.18 0.16 -0.44 0.00 0.00 0.00 179.25 179.20 1buj h ASP 11 N 0.87 0.74 0.09 0.00 5.19 -0.80 -2.72 116.42 119.80 1buj h ASP 11 Ca 0.39 -0.21 -0.12 0.00 -0.62 0.00 0.00 57.03 56.47 1buj h ASP 11 Cb 0.28 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 1buj h ASP 11 CO -0.21 0.75 -0.40 0.22 -3.12 0.00 0.00 179.24 176.48 1buj h TYR 12 N 0.70 0.48 0.65 4.55 5.03 -0.38 -0.34 116.97 127.66 1buj h TYR 12 Ca 0.16 -0.13 -0.03 0.00 2.58 0.00 0.00 58.73 61.32 1buj h TYR 12 Cb 0.27 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.44 1buj h TYR 12 CO 0.02 0.75 -0.42 -0.07 -1.32 0.00 0.00 178.16 177.11 1buj h LEU 13 N 0.34 -1.08 -0.93 2.82 3.38 -0.97 -0.67 115.31 118.20 1buj h LEU 13 Ca 0.03 0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.19 1buj h LEU 13 Cb 0.85 0.32 -0.08 0.00 0.09 0.00 0.00 40.66 41.84 1buj h LEU 13 CO 0.07 -0.64 0.55 0.40 0.09 0.00 0.00 178.44 178.91 1buj h ILE 14 N -1.02 0.88 0.21 1.22 1.08 -1.12 0.38 117.51 119.13 1buj h ILE 14 Ca -0.08 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 64.08 1buj h ILE 14 Cb 0.83 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.52 1buj h ILE 14 CO 0.06 0.16 -0.10 -0.09 -0.69 0.00 0.00 178.15 177.49 1buj h ARG 15 N 0.87 -0.27 -0.01 2.37 2.43 -0.90 -3.36 114.38 115.51 1buj h ARG 15 Ca 0.47 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 1buj h ARG 15 Cb 0.49 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1buj h ARG 15 CO -0.28 -0.18 -0.40 0.66 -1.51 0.00 0.00 179.97 178.26 1buj n TYR 16 N -3.52 0.00 -3.54 2.20 4.01 -0.27 -4.94 117.16 111.10 1buj n TYR 16 Ca -0.03 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.49 1buj n TYR 16 Cb 0.11 -0.07 0.08 0.00 -0.31 0.00 0.00 39.34 39.15 1buj n TYR 16 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1buj n LYS 17 N -0.46 -7.29 -3.81 -0.72 4.01 0.13 -4.99 118.16 105.02 1buj n LYS 17 Ca 0.10 0.83 -0.05 0.00 -0.51 0.00 0.00 58.31 58.68 1buj n LYS 17 Cb 0.40 -5.86 -0.00 0.00 -0.51 0.00 0.00 35.03 29.06 1buj n LYS 17 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 1buj s ARG 18 N -5.91 1.46 0.83 1.97 1.70 -1.24 -5.06 118.95 112.71 1buj s ARG 18 Ca 0.33 -0.87 -0.11 0.00 -0.47 0.00 0.00 55.73 54.61 1buj s ARG 18 Cb -0.14 0.46 0.09 0.00 -0.57 0.00 0.00 34.95 34.78 1buj s ARG 18 CO 0.73 -0.68 1.09 -0.51 -1.08 0.00 0.00 175.30 174.86 1buj s LEU 19 N -3.08 2.67 0.83 -1.89 1.43 -1.26 -3.44 118.68 113.94 1buj s LEU 19 Ca 0.15 1.66 -0.12 0.00 -1.03 0.00 0.00 54.13 54.80 1buj s LEU 19 Cb -0.03 -4.23 0.09 0.00 0.03 0.00 0.00 46.19 42.05 1buj s LEU 19 CO 0.05 -2.32 1.11 -2.16 0.23 0.00 0.00 176.35 173.26 1buj s PRO 20 N -4.92 1.83 0.00 1.29 0.04 -1.26 -4.97 135.00 127.01 1buj s PRO 20 Ca 0.62 0.55 0.22 0.00 0.04 0.00 0.00 61.00 62.43 1buj s PRO 20 Cb -0.17 -1.90 0.77 0.00 0.04 0.00 0.00 34.50 33.24 1buj s PRO 20 CO 0.56 -1.78 1.56 -3.47 0.04 0.00 0.00 177.00 173.92 1buj n ASP 21 N -3.52 1.74 -0.01 6.66 2.03 -1.26 -3.33 116.55 118.87 1buj n ASP 21 Ca 0.07 -1.70 0.14 0.00 0.52 0.00 0.00 54.79 53.83 1buj n ASP 21 Cb 0.57 -0.10 0.67 0.00 -0.72 0.00 0.00 41.12 41.54 1buj n ASP 21 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1buj n ASN 22 N 0.37 0.05 -4.60 1.67 6.94 -1.26 -4.68 115.26 113.76 1buj n ASN 22 Ca 0.17 0.11 -0.35 0.00 -0.02 0.00 0.00 54.58 54.49 1buj n ASN 22 Cb 0.35 -0.35 -0.10 0.00 -2.36 0.00 0.00 39.78 37.32 1buj n ASN 22 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1buj s TYR 23 N -2.77 3.21 0.33 -2.53 2.02 -1.21 -2.43 117.35 113.97 1buj s TYR 23 Ca 0.21 -0.01 0.07 0.00 -0.37 0.00 0.00 57.07 56.97 1buj s TYR 23 Cb 0.20 -2.12 -0.01 0.00 -0.40 0.00 0.00 41.96 39.62 1buj s TYR 23 CO 0.50 0.04 0.43 0.96 -1.57 0.00 0.00 175.55 175.91 1buj s ILE 24 N 0.66 4.07 0.59 2.71 -4.36 -0.17 -4.75 121.20 119.95 1buj s ILE 24 Ca 0.04 -1.07 -0.06 0.00 -0.26 0.00 0.00 60.65 59.30 1buj s ILE 24 Cb -0.13 -3.40 0.00 0.00 1.25 0.00 0.00 42.46 40.18 1buj s ILE 24 CO 0.02 -0.17 0.90 0.42 0.24 0.00 0.00 174.94 176.34 1buj s THR 25 N -2.18 3.75 0.17 8.37 -4.23 -1.25 -1.04 115.64 119.22 1buj s THR 25 Ca 0.43 0.05 -0.15 0.00 -1.18 0.00 0.00 61.69 60.84 1buj s THR 25 Cb -0.09 -3.49 0.06 0.00 1.34 0.00 0.00 72.50 70.33 1buj s THR 25 CO 0.30 -0.51 1.72 0.11 -0.54 0.00 0.00 174.62 175.70 1buj h LYS 26 N -0.17 0.21 -0.33 3.99 1.57 -1.95 -1.73 116.57 118.16 1buj h LYS 26 Ca -0.45 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.34 1buj h LYS 26 Cb 1.25 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1buj h LYS 26 CO 0.61 0.14 0.22 0.77 -0.57 0.00 0.00 179.45 180.62 1buj h SER 27 N 0.21 0.30 0.53 0.86 0.02 -1.98 0.12 113.55 113.61 1buj h SER 27 Ca 0.20 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1buj h SER 27 Cb 0.24 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.72 1buj h SER 27 CO -0.26 0.21 -0.26 -0.61 -1.14 0.00 0.00 176.83 174.77 1buj h GLN 28 N 0.35 -0.69 -0.88 3.45 4.15 -1.73 -1.99 115.11 117.77 1buj h GLN 28 Ca 0.13 0.05 0.19 0.00 0.77 0.00 0.00 58.65 59.79 1buj h GLN 28 Cb 0.10 0.16 -0.11 0.00 0.21 0.00 0.00 27.48 27.84 1buj h GLN 28 CO -0.03 -0.43 0.43 0.00 -1.93 0.00 0.00 178.83 176.87 1buj h ALA 29 N -1.10 1.39 -0.65 3.38 0.00 -0.84 -0.52 119.26 120.92 1buj h ALA 29 Ca -0.07 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1buj h ALA 29 Cb 0.57 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1buj h ALA 29 CO 0.12 -0.22 0.07 0.77 0.00 0.00 0.00 179.25 179.99 1buj h SER 30 N 0.52 1.07 -0.62 0.00 0.02 -0.77 -0.62 113.55 113.15 1buj h SER 30 Ca 0.52 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1buj h SER 30 Cb 0.88 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 1buj h SER 30 CO -0.45 1.08 0.38 0.00 -1.14 0.00 0.00 176.83 176.70 1buj h ALA 31 N 1.03 1.48 0.00 3.77 0.00 -0.33 0.22 119.26 125.43 1buj h ALA 31 Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1buj h ALA 31 Cb 0.49 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1buj h ALA 31 CO 0.02 0.45 0.00 -0.07 0.00 0.00 0.00 179.25 179.65 1buj h LEU 32 N 0.87 0.00 0.00 0.00 3.38 -0.47 -3.46 115.31 115.63 1buj h LEU 32 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1buj h LEU 32 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1buj h LEU 32 CO -0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.10 1buj n GLY 33 N 0.56 1.40 3.77 0.83 0.00 0.06 -4.94 105.19 106.86 1buj n GLY 33 Ca 0.03 0.00 -0.40 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 2.45 -0.00 1.61 -0.00 -0.36 -4.97 118.94 115.67 1buj s TRP 34 Ca 0.00 1.27 0.05 0.00 -0.00 0.00 0.00 56.10 57.41 1buj s TRP 34 Cb 0.00 -3.92 -0.01 0.00 -0.00 0.00 0.00 33.47 29.54 1buj s TRP 34 CO 0.00 -2.94 -0.15 0.08 -0.00 0.00 0.00 176.95 173.94 1buj s VAL 35 N -1.21 1.18 -0.59 5.86 1.01 -1.25 -4.39 120.40 121.00 1buj s VAL 35 Ca 0.61 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 1buj s VAL 35 Cb -0.44 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1buj s VAL 35 CO 0.56 0.27 2.91 0.00 0.00 0.00 0.00 175.10 178.84 1buj n ALA 36 N 2.55 6.59 0.01 5.51 0.00 -1.26 -3.66 120.51 130.24 1buj n ALA 36 Ca -0.15 -3.00 0.00 0.00 0.00 0.00 0.00 53.44 50.29 1buj n ALA 36 Cb 0.55 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1buj n ALA 36 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1buj n SER 37 N 1.59 -0.12 -0.06 0.00 7.64 -1.26 -5.03 113.62 116.38 1buj n SER 37 Ca 0.52 0.37 -0.08 0.00 1.01 0.00 0.00 58.87 60.69 1buj n SER 37 Cb 0.56 0.46 -0.07 0.00 -1.01 0.00 0.00 64.21 64.14 1buj n SER 37 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1buj h LYS 38 N 0.00 -0.01 -6.14 1.43 1.63 -2.00 -3.46 116.57 108.03 1buj h LYS 38 Ca 0.00 0.00 -0.69 0.00 -0.85 0.00 0.00 60.65 59.11 1buj h LYS 38 Cb 0.00 0.00 -0.31 0.00 -0.60 0.00 0.00 32.23 31.32 1buj h LYS 38 CO 0.00 0.56 -0.88 0.20 -3.45 0.00 0.00 179.45 175.88 1buj s GLY 39 N -3.91 1.28 0.89 5.01 0.00 -1.24 -5.05 107.32 104.30 1buj s GLY 39 Ca -0.11 -1.06 -0.12 0.00 0.00 0.00 0.00 44.72 43.44 1buj s GLY 39 CO 0.40 -0.71 1.09 0.54 0.00 0.00 0.00 173.10 174.42 1buj s ASN 40 N -0.27 3.57 -0.02 1.64 4.22 -1.26 -3.96 114.94 118.86 1buj s ASN 40 Ca -0.00 1.40 -0.20 0.00 -2.14 0.00 0.00 52.86 51.92 1buj s ASN 40 Cb -0.13 -2.09 -0.11 0.00 1.28 0.00 0.00 41.25 40.20 1buj s ASN 40 CO 0.02 -2.57 0.83 0.25 -2.04 0.00 0.00 177.10 173.60 1buj h LEU 41 N -1.50 -0.60 -2.08 3.54 5.85 -1.90 -3.18 115.31 115.43 1buj h LEU 41 Ca -0.50 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.34 1buj h LEU 41 Cb 1.29 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 1buj h LEU 41 CO 0.56 -0.19 0.32 0.00 -0.34 0.00 0.00 178.44 178.79 1buj h ALA 42 N -1.17 2.08 -0.29 1.25 0.00 -1.88 0.25 119.26 119.50 1buj h ALA 42 Ca -0.07 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1buj h ALA 42 Cb 0.55 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1buj h ALA 42 CO 0.12 -0.49 0.16 1.49 0.00 0.00 0.00 179.25 180.53 1buj h GLU 43 N 0.00 0.33 0.06 0.00 4.22 -1.94 -2.88 114.58 114.36 1buj h GLU 43 Ca 0.16 -0.02 -0.34 0.00 0.08 0.00 0.00 59.36 59.23 1buj h GLU 43 Cb 0.79 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1buj h GLU 43 CO -0.00 0.22 -1.94 0.28 -2.18 0.00 0.00 179.01 175.39 1buj n VAL 44 N -4.93 1.65 -3.68 0.32 0.31 0.68 -4.71 118.33 107.96 1buj n VAL 44 Ca -0.01 -0.45 -0.29 0.00 -0.01 0.00 0.00 64.34 63.58 1buj n VAL 44 Cb 0.05 -1.78 -0.12 0.00 -0.91 0.00 0.00 33.84 31.08 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 -2.50 2.26 0.60 3.52 0.00 0.03 -4.97 121.76 120.71 1buj s ALA 45 Ca -0.28 -2.75 -0.15 0.00 0.00 0.00 0.00 51.96 48.78 1buj s ALA 45 Cb 0.08 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 1buj s ALA 45 CO 0.67 -2.05 1.05 -1.25 0.00 0.00 0.00 175.76 174.17 1buj s PRO 46 N 0.03 3.31 0.00 0.00 0.04 -1.09 -4.20 135.00 133.09 1buj s PRO 46 Ca 0.21 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1buj s PRO 46 Cb -0.16 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1buj s PRO 46 CO -0.06 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.58 1buj n GLY 47 N -1.21 0.75 3.23 0.56 0.00 -1.26 -4.99 105.19 102.26 1buj n GLY 47 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.72 1.16 0.18 1.61 3.01 -1.26 -4.96 119.74 118.75 1buj s LYS 48 Ca 0.00 -1.59 0.00 0.00 -1.01 0.00 0.00 55.97 53.37 1buj s LYS 48 Cb 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 37.83 36.81 1buj s LYS 48 CO 0.00 -0.26 0.01 0.43 0.51 0.00 0.00 175.35 176.03 1buj n SER 49 N -0.26 2.46 -4.82 2.83 7.64 -1.02 -4.87 113.62 115.57 1buj n SER 49 Ca -0.03 -1.78 -0.36 0.00 1.01 0.00 0.00 58.87 57.71 1buj n SER 49 Cb 0.65 0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.91 1buj n SER 49 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1buj s ILE 50 N -1.61 4.65 -0.10 0.44 -1.09 -1.26 -1.00 121.20 121.23 1buj s ILE 50 Ca 0.00 1.17 -0.33 0.00 -2.23 0.00 0.00 60.65 59.27 1buj s ILE 50 Cb -0.00 -3.84 0.13 0.00 -1.58 0.00 0.00 42.46 37.17 1buj s ILE 50 CO 0.00 0.25 1.25 -0.83 -1.23 0.00 0.00 174.94 174.38 1buj s GLY 51 N -1.61 -0.35 0.00 6.18 0.00 -0.21 -1.61 107.32 109.71 1buj s GLY 51 Ca 0.40 1.14 0.00 0.00 0.00 0.00 0.00 44.72 46.27 1buj s GLY 51 CO 0.20 0.33 0.00 0.61 0.00 0.00 0.00 173.10 174.24 1buj n GLY 52 N -0.29 0.64 3.82 0.20 0.00 -0.97 -3.96 105.19 104.62 1buj n GLY 52 Ca -0.04 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.22 7.01 0.24 1.61 1.01 -1.20 -4.93 116.67 118.19 1buj s ASP 53 Ca 0.00 1.65 -0.29 0.00 0.71 0.00 0.00 52.55 54.62 1buj s ASP 53 Cb 0.00 -2.52 -0.09 0.00 1.01 0.00 0.00 42.92 41.32 1buj s ASP 53 CO 0.00 -0.25 0.92 -0.69 0.21 0.00 0.00 175.17 175.35 1buj s VAL 54 N -2.00 4.12 -0.10 -1.27 1.01 -1.26 -1.11 120.40 119.80 1buj s VAL 54 Ca 0.57 2.01 0.16 0.00 0.00 0.00 0.00 61.98 64.72 1buj s VAL 54 Cb -0.12 -4.27 -0.18 0.00 0.00 0.00 0.00 36.38 31.81 1buj s VAL 54 CO 0.16 0.47 0.71 0.33 0.00 0.00 0.00 175.10 176.77 1buj n PHE 55 N 1.41 0.90 -3.04 5.22 7.35 -1.05 -4.78 117.46 123.47 1buj n PHE 55 Ca -0.02 0.31 -0.01 0.00 -0.76 0.00 0.00 57.45 56.97 1buj n PHE 55 Cb 0.48 -1.10 0.00 0.00 0.35 0.00 0.00 39.48 39.20 1buj n PHE 55 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1buj n SER 56 N -2.92 -7.81 -0.02 -2.13 7.64 -1.26 -4.94 113.62 102.18 1buj n SER 56 Ca -0.14 -0.01 -0.12 0.00 1.01 0.00 0.00 58.87 59.61 1buj n SER 56 Cb 0.93 -5.32 -0.10 0.00 -1.01 0.00 0.00 64.21 58.71 1buj n SER 56 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1buj h ASN 57 N 0.60 -0.04 -1.59 6.43 -1.24 -1.93 -3.47 115.58 114.34 1buj h ASN 57 Ca 0.00 -0.64 -0.37 0.00 0.71 0.00 0.00 56.30 55.99 1buj h ASN 57 Cb 1.00 0.01 -0.12 0.00 0.73 0.00 0.00 38.32 39.94 1buj h ASN 57 CO 0.29 0.67 -0.37 0.54 -1.29 0.00 0.00 177.43 177.28 1buj n ARG 58 N -4.77 -1.50 -2.09 6.67 1.74 -1.26 -3.73 116.66 111.72 1buj n ARG 58 Ca -0.08 1.04 0.00 0.00 -0.77 0.00 0.00 57.85 58.03 1buj n ARG 58 Cb 0.34 -5.45 0.00 0.00 -1.02 0.00 0.00 32.46 26.33 1buj n ARG 58 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1buj n GLU 59 N -2.37 -5.25 0.00 5.56 2.13 -1.26 -5.02 120.64 114.43 1buj n GLU 59 Ca -0.19 3.70 0.00 0.00 0.66 0.00 0.00 57.16 61.33 1buj n GLU 59 Cb 0.62 -4.08 0.00 0.00 0.27 0.00 0.00 31.44 28.25 1buj n GLU 59 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1buj n GLY 60 N 1.94 0.75 0.29 8.31 0.00 -1.24 -4.96 105.19 110.28 1buj n GLY 60 Ca 0.00 0.27 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 1buj n GLY 60 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1buj h ARG 61 N 0.00 1.01 -6.12 1.61 -0.00 -1.93 -3.44 114.38 105.51 1buj h ARG 61 Ca 0.00 -0.29 -0.55 0.00 -0.50 0.00 0.00 59.98 58.64 1buj h ARG 61 Cb 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 29.97 29.81 1buj h ARG 61 CO 0.00 0.97 -0.51 -0.51 0.00 0.00 0.00 179.97 179.91 1buj s LEU 62 N -9.45 4.08 0.67 3.04 1.43 -1.26 -5.01 118.68 112.18 1buj s LEU 62 Ca -0.12 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.88 1buj s LEU 62 Cb 0.13 -2.67 -0.00 0.00 0.03 0.00 0.00 46.19 43.68 1buj s LEU 62 CO 0.84 0.06 1.06 -2.16 0.23 0.00 0.00 176.35 176.37 1buj s PRO 63 N -3.19 3.05 -0.28 1.29 0.04 -1.26 -4.44 135.00 130.21 1buj s PRO 63 Ca 0.33 1.01 0.12 0.00 0.04 0.00 0.00 61.00 62.49 1buj s PRO 63 Cb -0.10 -2.00 0.36 0.00 0.04 0.00 0.00 34.50 32.79 1buj s PRO 63 CO 0.26 -1.02 1.43 0.45 0.04 0.00 0.00 177.00 178.16 1buj n SER 64 N -2.86 -1.14 -3.48 6.66 2.88 -1.26 -4.79 113.62 109.63 1buj n SER 64 Ca 0.08 -2.17 -0.40 0.00 -1.33 0.00 0.00 58.87 55.05 1buj n SER 64 Cb 0.53 0.53 -0.01 0.00 -0.75 0.00 0.00 64.21 64.51 1buj n SER 64 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1buj n ALA 65 N -1.22 6.85 0.04 -1.46 0.00 -1.26 -3.57 120.51 119.89 1buj n ALA 65 Ca -0.17 -3.93 0.00 0.00 0.00 0.00 0.00 53.44 49.34 1buj n ALA 65 Cb 0.85 -3.02 0.00 0.00 0.00 0.00 0.00 19.45 17.28 1buj n ALA 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1buj n SER 66 N 2.72 -0.69 0.00 0.00 2.88 -1.26 -5.04 113.62 112.24 1buj n SER 66 Ca 0.65 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 1buj n SER 66 Cb 0.26 0.89 0.00 0.00 -0.75 0.00 0.00 64.21 64.61 1buj n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1buj n GLY 67 N -1.14 0.00 3.49 0.46 0.00 -1.23 -5.16 105.19 101.61 1buj n GLY 67 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.68 0.26 1.61 6.06 -1.26 -5.09 118.95 124.21 1buj s ARG 68 Ca 0.00 -0.50 -0.01 0.00 -2.50 0.00 0.00 55.73 52.71 1buj s ARG 68 Cb 0.00 -3.00 -0.04 0.00 0.06 0.00 0.00 34.95 31.97 1buj s ARG 68 CO 0.00 0.16 0.48 0.99 -2.50 0.00 0.00 175.30 174.42 1buj s THR 69 N 0.60 5.13 0.01 4.11 2.01 -1.26 -4.87 115.64 121.37 1buj s THR 69 Ca -0.01 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.72 1buj s THR 69 Cb -0.14 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 1buj s THR 69 CO 0.02 -0.32 -0.08 0.26 -0.69 0.00 0.00 174.62 173.82 1buj s TRP 70 N -2.04 0.68 0.03 4.92 0.52 -1.26 -1.42 118.94 120.37 1buj s TRP 70 Ca 0.40 -0.23 0.00 0.00 0.02 0.00 0.00 56.10 56.29 1buj s TRP 70 Cb -0.10 -0.43 -0.02 0.00 -1.15 0.00 0.00 33.47 31.77 1buj s TRP 70 CO 0.31 -0.02 -0.04 1.03 0.02 0.00 0.00 176.95 178.25 1buj s ARG 71 N -0.61 0.41 0.28 4.98 0.52 -0.62 -2.53 118.95 121.38 1buj s ARG 71 Ca -0.01 -0.75 0.08 0.00 -0.52 0.00 0.00 55.73 54.54 1buj s ARG 71 Cb -0.05 0.04 -0.06 0.00 0.52 0.00 0.00 34.95 35.41 1buj s ARG 71 CO 0.00 -0.04 -0.10 -1.83 0.02 0.00 0.00 175.30 173.35 1buj s GLU 72 N -1.92 1.58 0.09 3.54 -1.05 -0.27 -1.48 118.70 119.19 1buj s GLU 72 Ca -0.11 -1.77 -0.22 0.00 -0.15 0.00 0.00 54.97 52.72 1buj s GLU 72 Cb -0.07 -1.35 0.06 0.00 -0.44 0.00 0.00 34.13 32.33 1buj s GLU 72 CO -0.02 0.13 0.53 0.00 0.95 0.00 0.00 175.26 176.85 1buj s ALA 73 N -2.85 -1.37 0.44 -0.84 0.00 -0.26 -2.28 121.76 114.59 1buj s ALA 73 Ca 0.29 0.50 -0.21 0.00 0.00 0.00 0.00 51.96 52.54 1buj s ALA 73 Cb 0.01 0.56 -0.11 0.00 0.00 0.00 0.00 23.12 23.59 1buj s ALA 73 CO 0.12 -0.60 0.96 -0.51 0.00 0.00 0.00 175.76 175.73 1buj s ASP 74 N -2.30 6.88 -0.11 0.00 1.11 -0.64 -0.83 116.67 120.78 1buj s ASP 74 Ca -0.02 1.72 0.03 0.00 0.18 0.00 0.00 52.55 54.45 1buj s ASP 74 Cb -0.00 -2.54 0.01 0.00 1.07 0.00 0.00 42.92 41.45 1buj s ASP 74 CO -0.06 -0.40 -0.21 -0.63 1.18 0.00 0.00 175.17 175.04 1buj s ILE 75 N -2.16 1.89 0.23 0.77 -1.09 -0.21 -4.73 121.20 115.91 1buj s ILE 75 Ca 0.63 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 58.14 1buj s ILE 75 Cb -0.10 -1.66 0.00 0.00 -1.58 0.00 0.00 42.46 39.13 1buj s ILE 75 CO 0.14 0.52 0.00 0.59 -1.23 0.00 0.00 174.94 174.96 1buj n ASN 76 N 3.76 -8.74 -3.29 3.58 5.03 -1.02 -4.69 115.26 109.90 1buj n ASN 76 Ca -0.20 1.31 -0.25 0.00 0.87 0.00 0.00 54.58 56.31 1buj n ASN 76 Cb 0.52 -4.86 -0.08 0.00 -1.02 0.00 0.00 39.78 34.34 1buj n ASN 76 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1buj n TYR 77 N 1.55 0.70 -0.08 3.10 4.11 -1.26 -4.86 117.16 120.42 1buj n TYR 77 Ca 0.00 -3.71 -0.12 0.00 -0.00 0.00 0.00 57.90 54.07 1buj n TYR 77 Cb 0.00 -0.36 -0.07 0.00 -0.00 0.00 0.00 39.34 38.91 1buj n TYR 77 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1buj n VAL 78 N 1.41 0.92 -0.55 -3.48 0.31 -1.26 -5.01 118.33 110.68 1buj n VAL 78 Ca 0.24 -0.34 -0.29 0.00 -0.01 0.00 0.00 64.34 63.94 1buj n VAL 78 Cb 0.49 -1.16 0.22 0.00 -0.91 0.00 0.00 33.84 32.49 1buj n VAL 78 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1buj n SER 79 N -3.08 -1.05 0.00 4.52 7.64 -1.26 -5.03 113.62 115.36 1buj n SER 79 Ca -0.29 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.63 1buj n SER 79 Cb 0.79 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 1buj n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1buj n GLY 80 N 0.79 -0.01 3.24 0.23 0.00 -1.26 -4.90 105.19 103.29 1buj n GLY 80 Ca 0.06 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1buj n GLY 80 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1buj n PHE 81 N 0.00 -2.62 -1.84 1.61 3.72 -1.26 -4.37 117.46 112.70 1buj n PHE 81 Ca 0.00 -0.38 -0.41 0.00 -0.05 0.00 0.00 57.45 56.61 1buj n PHE 81 Cb 0.00 -1.46 -0.01 0.00 -0.94 0.00 0.00 39.48 37.07 1buj n PHE 81 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1buj s ARG 82 N -4.37 4.15 0.72 -1.08 0.52 -1.26 -4.96 118.95 112.66 1buj s ARG 82 Ca 0.60 2.52 -0.10 0.00 -0.52 0.00 0.00 55.73 58.23 1buj s ARG 82 Cb -0.14 -3.01 0.04 0.00 0.52 0.00 0.00 34.95 32.36 1buj s ARG 82 CO 0.56 -0.54 1.08 0.54 0.02 0.00 0.00 175.30 176.96 1buj s ASN 83 N 0.14 5.06 -0.11 0.23 2.20 -1.26 -4.99 114.94 116.21 1buj s ASN 83 Ca 0.57 0.83 0.14 0.00 -0.94 0.00 0.00 52.86 53.47 1buj s ASN 83 Cb -0.46 -1.54 0.43 0.00 -2.00 0.00 0.00 41.25 37.69 1buj s ASN 83 CO 0.54 -1.52 1.35 0.00 -2.94 0.00 0.00 177.10 174.52 1buj n ALA 84 N -3.03 2.68 -3.72 3.54 0.00 -1.26 -4.94 120.51 113.79 1buj n ALA 84 Ca 0.07 -1.91 -0.35 0.00 0.00 0.00 0.00 53.44 51.25 1buj n ALA 84 Cb 0.59 -0.59 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.64 5.00 0.02 0.00 1.11 -1.26 -2.94 116.67 116.96 1buj s ASP 85 Ca 0.35 -1.59 -0.01 0.00 0.18 0.00 0.00 52.55 51.47 1buj s ASP 85 Cb 0.26 -1.74 -0.02 0.00 1.07 0.00 0.00 42.92 42.49 1buj s ASP 85 CO 0.11 -0.36 -0.01 -0.13 1.18 0.00 0.00 175.17 175.96 1buj s ARG 86 N 1.19 0.36 -0.10 8.23 0.52 -0.35 -1.04 118.95 127.76 1buj s ARG 86 Ca 0.01 -0.63 -0.04 0.00 -0.52 0.00 0.00 55.73 54.55 1buj s ARG 86 Cb -0.21 0.13 -0.04 0.00 0.52 0.00 0.00 34.95 35.36 1buj s ARG 86 CO -0.03 -0.07 0.04 -1.17 0.02 0.00 0.00 175.30 174.10 1buj s LEU 87 N -1.58 3.80 -0.11 2.53 2.96 -0.01 -1.73 118.68 124.54 1buj s LEU 87 Ca -0.14 0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 53.99 1buj s LEU 87 Cb -0.08 -1.89 0.02 0.00 0.50 0.00 0.00 46.19 44.74 1buj s LEU 87 CO -0.01 0.37 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.61 1buj s VAL 88 N -0.82 1.03 0.08 1.68 1.01 -0.14 -1.11 120.40 122.14 1buj s VAL 88 Ca 0.13 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.85 1buj s VAL 88 Cb -0.12 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1buj s VAL 88 CO 0.03 0.36 -0.14 -0.72 0.00 0.00 0.00 175.10 174.63 1buj s TYR 89 N 1.56 1.28 0.70 5.22 -0.85 -0.55 -1.34 117.35 123.36 1buj s TYR 89 Ca 0.02 -0.48 -0.01 0.00 -0.52 0.00 0.00 57.07 56.08 1buj s TYR 89 Cb -0.13 -0.71 0.11 0.00 0.38 0.00 0.00 41.96 41.62 1buj s TYR 89 CO -0.07 0.08 0.97 -1.54 -1.52 0.00 0.00 175.55 173.47 1buj s SER 90 N -1.89 4.46 0.16 -0.18 1.04 -0.68 -1.58 113.70 115.03 1buj s SER 90 Ca 0.01 -0.31 -0.16 0.00 0.48 0.00 0.00 55.95 55.97 1buj s SER 90 Cb -0.09 -0.13 0.08 0.00 0.10 0.00 0.00 66.02 65.98 1buj s SER 90 CO 0.02 -1.77 1.73 0.28 0.98 0.00 0.00 173.24 174.48 1buj h SER 91 N -0.46 0.00 -0.49 7.02 0.02 -1.59 -1.96 113.55 116.09 1buj h SER 91 Ca -0.37 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1buj h SER 91 Cb 1.27 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.90 1buj h SER 91 CO 0.42 0.04 0.00 -0.90 -1.14 0.00 0.00 176.83 175.25 1buj n ASP 92 N -5.10 5.08 -2.41 3.07 5.75 -1.26 -4.90 116.55 116.79 1buj n ASP 92 Ca 0.02 -2.80 -0.09 0.00 -0.01 0.00 0.00 54.79 51.90 1buj n ASP 92 Cb 0.17 -0.66 0.05 0.00 -1.03 0.00 0.00 41.12 39.64 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 0.54 -1.28 -3.43 2.11 7.02 -0.74 -5.01 117.44 116.65 1buj n TRP 93 Ca 0.24 0.53 -0.39 0.00 -1.02 0.00 0.00 57.50 56.86 1buj n TRP 93 Cb 1.07 -3.69 -0.09 0.00 -2.42 0.00 0.00 31.31 26.17 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 -4.46 4.06 -0.09 -0.99 1.43 -1.26 -4.87 118.68 112.50 1buj s LEU 94 Ca 0.05 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 1buj s LEU 94 Cb -0.01 -2.39 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 1buj s LEU 94 CO 0.42 -0.13 -0.16 -0.63 0.23 0.00 0.00 176.35 176.08 1buj s ILE 95 N 1.82 2.86 0.03 -0.59 1.01 -1.26 -1.69 121.20 123.38 1buj s ILE 95 Ca 0.14 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1buj s ILE 95 Cb -0.15 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 1buj s ILE 95 CO 0.09 0.56 -0.04 -0.31 0.00 0.00 0.00 174.94 175.24 1buj s TYR 96 N -0.12 0.35 0.24 3.97 1.51 -0.45 -2.77 117.35 120.07 1buj s TYR 96 Ca -0.02 -0.60 0.10 0.00 -1.01 0.00 0.00 57.07 55.54 1buj s TYR 96 Cb -0.14 -0.24 -0.04 0.00 -0.11 0.00 0.00 41.96 41.42 1buj s TYR 96 CO 0.04 -0.20 -0.11 -1.59 -1.11 0.00 0.00 175.55 172.58 1buj s LYS 97 N -1.81 1.98 -0.16 -0.62 -2.85 -0.35 -0.96 119.74 114.97 1buj s LYS 97 Ca -0.12 -1.47 -0.12 0.00 -1.00 0.00 0.00 55.97 53.26 1buj s LYS 97 Cb -0.08 -2.03 0.05 0.00 -2.06 0.00 0.00 37.83 33.72 1buj s LYS 97 CO -0.02 0.38 0.41 -0.08 0.10 0.00 0.00 175.35 176.14 1buj s THR 98 N -2.11 -0.01 -1.15 3.79 -1.32 -0.70 -1.54 115.64 112.59 1buj s THR 98 Ca 0.28 0.05 0.21 0.00 -1.21 0.00 0.00 61.69 61.02 1buj s THR 98 Cb -0.07 -0.60 -0.19 0.00 -1.51 0.00 0.00 72.50 70.13 1buj s THR 98 CO 0.16 0.02 0.94 0.35 -2.21 0.00 0.00 174.62 173.88 1buj n THR 99 N 3.59 0.00 0.58 5.08 -2.24 -1.26 -1.21 114.28 118.82 1buj n THR 99 Ca -0.18 -0.04 0.07 0.00 -2.27 0.00 0.00 64.05 61.62 1buj n THR 99 Cb 0.56 1.01 0.02 0.00 -2.10 0.00 0.00 70.33 69.83 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 -1.29 1.73 -2.83 3.42 5.68 -1.23 -4.35 116.55 117.68 1buj n ASP 100 Ca 0.05 -1.36 -0.05 0.00 -0.50 0.00 0.00 54.79 52.92 1buj n ASP 100 Cb 0.35 0.27 0.01 0.00 -1.14 0.00 0.00 41.12 40.61 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 0.21 -3.58 -3.59 2.11 -0.00 -1.15 -4.18 115.22 105.05 1buj n HIS 101 Ca 0.07 1.52 -0.24 0.00 -0.00 0.00 0.00 57.72 59.07 1buj n HIS 101 Cb 0.30 -3.87 0.08 0.00 -0.00 0.00 0.00 29.99 26.50 1buj n HIS 101 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.34 177.32 1buj n TYR 102 N 0.21 -2.85 -0.10 1.57 9.36 -1.26 -4.85 117.16 119.23 1buj n TYR 102 Ca 0.05 1.01 -0.14 0.00 3.32 0.00 0.00 57.90 62.14 1buj n TYR 102 Cb 0.27 -5.03 -0.05 0.00 -0.63 0.00 0.00 39.34 33.90 1buj n TYR 102 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1buj n ALA 103 N -4.97 1.02 -2.26 2.98 0.00 -1.26 -5.03 120.51 111.00 1buj n ALA 103 Ca -0.00 -0.88 -0.15 0.00 0.00 0.00 0.00 53.44 52.41 1buj n ALA 103 Cb 0.56 0.07 -0.10 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.78 0.20 0.19 0.00 -4.23 -1.26 -4.98 115.64 102.78 1buj s THR 104 Ca -0.31 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.19 1buj s THR 104 Cb 0.07 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.33 1buj s THR 104 CO 0.43 0.00 0.12 -0.36 -0.54 0.00 0.00 174.62 174.28 1buj s PHE 105 N -3.91 1.09 -0.02 3.99 0.40 -1.26 -4.64 117.98 113.63 1buj s PHE 105 Ca 0.38 -1.34 0.01 0.00 -0.60 0.00 0.00 56.93 55.38 1buj s PHE 105 Cb 0.06 -0.53 0.02 0.00 0.51 0.00 0.00 43.02 43.08 1buj s PHE 105 CO 0.15 -0.62 -0.02 0.99 0.70 0.00 0.00 175.22 176.42 1buj s THR 106 N -4.14 0.25 -0.24 0.64 2.01 -0.59 -4.95 115.64 108.62 1buj s THR 106 Ca 0.36 -0.00 -0.24 0.00 0.31 0.00 0.00 61.69 62.11 1buj s THR 106 Cb 0.07 -0.30 -0.01 0.00 0.01 0.00 0.00 72.50 72.27 1buj s THR 106 CO 0.10 0.14 0.82 -0.60 -0.69 0.00 0.00 174.62 174.39 1buj s ARG 107 N 0.72 4.18 -0.04 4.92 3.52 -1.26 -1.21 118.95 129.78 1buj s ARG 107 Ca -0.08 0.92 0.08 0.00 -0.13 0.00 0.00 55.73 56.53 1buj s ARG 107 Cb -0.11 -3.65 -0.13 0.00 -1.56 0.00 0.00 34.95 29.51 1buj s ARG 107 CO -0.01 -0.52 0.14 0.44 -0.81 0.00 0.00 175.30 174.55 1buj n ILE 108 N 5.26 0.19 0.00 4.11 -0.00 -1.12 -5.02 119.36 122.78 1buj n ILE 108 Ca 0.05 -0.25 0.00 0.00 -0.00 0.00 0.00 62.75 62.55 1buj n ILE 108 Cb 0.48 -0.06 0.00 0.00 -0.00 0.00 0.00 39.64 40.06 1buj n ILE 108 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44