#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 5.15 -0.32 0.00 -7.23 -1.26 -5.06 120.40 111.68 1buj s VAL 2 Ca 0.00 -0.52 -0.21 0.00 -1.81 0.00 0.00 61.98 59.44 1buj s VAL 2 Cb 0.00 -3.83 -0.00 0.00 0.56 0.00 0.00 36.38 33.11 1buj s VAL 2 CO 0.00 -0.43 0.65 -0.63 -0.31 0.00 0.00 175.10 174.39 1buj s ILE 3 N -2.15 4.90 -0.34 -0.62 1.01 -1.26 -4.86 121.20 117.87 1buj s ILE 3 Ca 0.39 0.84 0.13 0.00 0.00 0.00 0.00 60.65 62.00 1buj s ILE 3 Cb -0.10 -4.04 0.41 0.00 0.01 0.00 0.00 42.46 38.74 1buj s ILE 3 CO 0.33 -0.20 1.50 -0.46 0.00 0.00 0.00 174.94 176.11 1buj n ASN 4 N 5.97 -1.37 -4.49 3.58 6.94 -1.26 -4.81 115.26 119.82 1buj n ASN 4 Ca -0.00 -2.24 -0.24 0.00 -0.02 0.00 0.00 54.58 52.07 1buj n ASN 4 Cb 0.49 0.67 -0.10 0.00 -2.36 0.00 0.00 39.78 38.47 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 -0.07 2.28 0.11 5.53 -4.23 -1.26 -1.38 115.64 116.62 1buj s THR 5 Ca 0.12 -2.29 -0.19 0.00 -1.18 0.00 0.00 61.69 58.15 1buj s THR 5 Cb 0.44 -2.46 -0.06 0.00 1.34 0.00 0.00 72.50 71.76 1buj s THR 5 CO -0.12 -0.31 1.68 -0.26 -0.54 0.00 0.00 174.62 175.06 1buj h PHE 6 N 2.17 0.35 -0.38 3.99 0.04 -1.98 -0.01 116.94 121.12 1buj h PHE 6 Ca -0.41 -0.02 -0.15 0.00 2.80 0.00 0.00 57.97 60.19 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 0.78 0.35 -0.34 -0.44 -0.60 0.00 0.00 178.31 178.05 1buj h ASP 7 N 0.26 0.96 0.25 2.17 5.19 -1.98 -2.65 116.42 120.62 1buj h ASP 7 Ca 0.08 -0.46 -0.01 0.00 -0.62 0.00 0.00 57.03 56.03 1buj h ASP 7 Cb 0.13 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.37 1buj h ASP 7 CO -0.01 1.22 -0.12 1.23 -3.12 0.00 0.00 179.24 178.44 1buj h GLY 8 N 0.72 -0.35 1.05 2.75 0.00 -1.89 -0.30 103.07 105.06 1buj h GLY 8 Ca 0.07 0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 1buj h GLY 8 CO 0.09 -0.13 0.17 -2.08 0.00 0.00 0.00 176.54 174.59 1buj h VAL 9 N -0.62 1.26 -0.79 4.60 2.07 -1.12 -1.44 116.25 120.20 1buj h VAL 9 Ca -0.03 -0.94 0.08 0.00 0.82 0.00 0.00 66.70 66.62 1buj h VAL 9 Cb 0.45 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 1buj h VAL 9 CO 0.06 0.36 0.46 0.00 0.02 0.00 0.00 177.57 178.46 1buj h ALA 10 N 1.07 1.09 -0.55 1.67 0.00 -1.31 0.30 119.26 121.53 1buj h ALA 10 Ca 0.21 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1buj h ALA 10 Cb 0.36 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1buj h ALA 10 CO 0.00 0.13 -0.08 -0.44 0.00 0.00 0.00 179.25 178.86 1buj h ASP 11 N 0.81 1.02 0.17 0.00 3.32 -0.52 -2.81 116.42 118.40 1buj h ASP 11 Ca 0.36 -0.32 -0.13 0.00 0.02 0.00 0.00 57.03 56.96 1buj h ASP 11 Cb 0.26 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1buj h ASP 11 CO -0.21 1.11 -0.47 0.22 -1.72 0.00 0.00 179.24 178.17 1buj h TYR 12 N 0.92 0.43 0.48 4.55 3.20 -0.15 -0.50 116.97 125.89 1buj h TYR 12 Ca 0.15 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1buj h TYR 12 Cb 0.64 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1buj h TYR 12 CO 0.04 0.76 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.85 1buj h LEU 13 N 0.29 -1.07 -0.75 2.82 3.38 -0.90 -0.89 115.31 118.20 1buj h LEU 13 Ca 0.02 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.16 1buj h LEU 13 Cb 0.94 0.34 -0.07 0.00 0.09 0.00 0.00 40.66 41.96 1buj h LEU 13 CO 0.08 -0.57 0.39 0.40 0.09 0.00 0.00 178.44 178.83 1buj h ILE 14 N -0.87 0.86 0.25 1.22 1.08 -1.19 0.33 117.51 119.19 1buj h ILE 14 Ca -0.05 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 64.18 1buj h ILE 14 Cb 0.75 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.65 1buj h ILE 14 CO -0.02 0.12 -0.12 -0.09 -0.69 0.00 0.00 178.15 177.35 1buj h ARG 15 N 0.66 -0.33 0.00 2.37 2.43 -0.94 -3.35 114.38 115.23 1buj h ARG 15 Ca 0.37 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 1buj h ARG 15 Cb 0.37 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1buj h ARG 15 CO -0.26 -0.22 -0.57 0.66 -1.51 0.00 0.00 179.97 178.07 1buj n TYR 16 N -4.06 0.18 -2.99 2.20 4.02 -0.35 -4.93 117.16 111.23 1buj n TYR 16 Ca -0.04 0.05 -0.13 0.00 -0.01 0.00 0.00 57.90 57.77 1buj n TYR 16 Cb 0.13 -0.39 0.04 0.00 -0.02 0.00 0.00 39.34 39.10 1buj n TYR 16 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1buj n LYS 17 N -1.72 -3.94 -3.77 -0.72 4.81 0.12 -5.00 118.16 107.93 1buj n LYS 17 Ca 0.05 0.47 -0.02 0.00 -0.87 0.00 0.00 58.31 57.93 1buj n LYS 17 Cb 0.37 -4.41 -0.00 0.00 0.02 0.00 0.00 35.03 31.01 1buj n LYS 17 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1buj s ARG 18 N -5.57 1.05 0.85 1.64 1.70 -1.21 -5.05 118.95 112.35 1buj s ARG 18 Ca 0.28 -0.62 -0.11 0.00 -0.47 0.00 0.00 55.73 54.81 1buj s ARG 18 Cb -0.12 0.34 0.10 0.00 -0.57 0.00 0.00 34.95 34.69 1buj s ARG 18 CO 0.35 -0.49 1.09 -0.51 -1.08 0.00 0.00 175.30 174.67 1buj s LEU 19 N -3.11 2.44 0.84 -1.89 1.43 -1.26 -3.44 118.68 113.69 1buj s LEU 19 Ca 0.16 1.42 -0.12 0.00 -1.03 0.00 0.00 54.13 54.57 1buj s LEU 19 Cb -0.00 -3.94 0.10 0.00 0.03 0.00 0.00 46.19 42.37 1buj s LEU 19 CO 0.02 -2.32 1.11 -2.16 0.23 0.00 0.00 176.35 173.23 1buj s PRO 20 N -5.03 1.73 0.00 1.29 0.04 -1.26 -4.97 135.00 126.80 1buj s PRO 20 Ca 0.62 0.51 0.21 0.00 0.04 0.00 0.00 61.00 62.38 1buj s PRO 20 Cb -0.16 -1.89 0.75 0.00 0.04 0.00 0.00 34.50 33.24 1buj s PRO 20 CO 0.56 -1.84 1.55 -3.47 0.04 0.00 0.00 177.00 173.84 1buj n ASP 21 N -3.56 1.70 -0.03 6.66 2.03 -1.26 -3.08 116.55 119.01 1buj n ASP 21 Ca 0.07 -1.71 0.15 0.00 0.52 0.00 0.00 54.79 53.82 1buj n ASP 21 Cb 0.57 -0.10 0.73 0.00 -0.72 0.00 0.00 41.12 41.60 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 0.35 0.12 -4.31 1.67 6.94 -1.26 -4.60 115.26 114.17 1buj n ASN 22 Ca 0.16 -0.31 -0.35 0.00 -0.02 0.00 0.00 54.58 54.06 1buj n ASN 22 Cb 0.34 -0.21 -0.14 0.00 -2.36 0.00 0.00 39.78 37.41 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 -2.51 2.98 0.38 -2.53 2.02 -1.18 -0.96 117.35 115.54 1buj s TYR 23 Ca 0.30 -0.95 0.08 0.00 -0.37 0.00 0.00 57.07 56.12 1buj s TYR 23 Cb 0.20 -2.11 -0.02 0.00 -0.40 0.00 0.00 41.96 39.63 1buj s TYR 23 CO 0.46 -0.55 0.38 0.96 -1.57 0.00 0.00 175.55 175.23 1buj s ILE 24 N 1.48 3.16 0.64 2.71 -4.36 -0.73 -4.68 121.20 119.42 1buj s ILE 24 Ca 0.05 -1.27 -0.10 0.00 -0.26 0.00 0.00 60.65 59.08 1buj s ILE 24 Cb -0.14 -3.11 -0.01 0.00 1.25 0.00 0.00 42.46 40.45 1buj s ILE 24 CO -0.03 -0.08 1.01 0.42 0.24 0.00 0.00 174.94 176.50 1buj s THR 25 N -2.37 3.97 0.17 8.37 -4.23 -1.24 -1.02 115.64 119.30 1buj s THR 25 Ca 0.46 0.46 -0.15 0.00 -1.18 0.00 0.00 61.69 61.28 1buj s THR 25 Cb -0.06 -3.61 0.05 0.00 1.34 0.00 0.00 72.50 70.23 1buj s THR 25 CO 0.28 -0.75 1.73 0.11 -0.54 0.00 0.00 174.62 175.46 1buj h LYS 26 N -0.38 0.23 -0.19 3.99 1.57 -1.94 -1.37 116.57 118.47 1buj h LYS 26 Ca -0.45 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.35 1buj h LYS 26 Cb 1.23 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1buj h LYS 26 CO 0.62 0.15 0.13 0.77 -0.57 0.00 0.00 179.45 180.56 1buj h SER 27 N 0.24 0.09 0.42 0.86 0.02 -1.98 0.48 113.55 113.67 1buj h SER 27 Ca 0.19 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1buj h SER 27 Cb 0.21 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1buj h SER 27 CO -0.23 0.06 -0.20 -0.61 -1.14 0.00 0.00 176.83 174.71 1buj h GLN 28 N 0.10 -0.54 -0.83 3.45 4.15 -1.65 -1.64 115.11 118.15 1buj h GLN 28 Ca 0.08 0.04 0.20 0.00 0.77 0.00 0.00 58.65 59.74 1buj h GLN 28 Cb 0.21 0.12 -0.12 0.00 0.21 0.00 0.00 27.48 27.90 1buj h GLN 28 CO -0.01 -0.30 0.29 0.00 -1.93 0.00 0.00 178.83 176.88 1buj h ALA 29 N -0.99 1.22 -0.60 3.38 0.00 -0.91 -0.56 119.26 120.80 1buj h ALA 29 Ca -0.06 0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1buj h ALA 29 Cb 0.49 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1buj h ALA 29 CO 0.09 -0.34 -0.01 0.77 0.00 0.00 0.00 179.25 179.76 1buj h SER 30 N 0.34 1.05 -0.54 0.00 0.02 -0.91 -0.81 113.55 112.71 1buj h SER 30 Ca 0.50 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1buj h SER 30 Cb 0.91 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 1buj h SER 30 CO -0.53 1.10 0.27 0.00 -1.14 0.00 0.00 176.83 176.54 1buj h ALA 31 N 1.00 1.40 0.00 3.77 0.00 -0.14 0.18 119.26 125.47 1buj h ALA 31 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1buj h ALA 31 Cb 0.57 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1buj h ALA 31 CO 0.03 0.47 0.00 -0.07 0.00 0.00 0.00 179.25 179.68 1buj h LEU 32 N 0.81 0.00 0.00 0.00 3.38 -0.31 -3.46 115.31 115.73 1buj h LEU 32 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1buj h LEU 32 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1buj h LEU 32 CO -0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.11 1buj n GLY 33 N 0.37 1.51 3.77 0.83 0.00 0.05 -4.97 105.19 106.75 1buj n GLY 33 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 2.54 -0.02 1.61 -0.00 -0.42 -4.97 118.94 115.67 1buj s TRP 34 Ca 0.00 1.31 0.07 0.00 -0.00 0.00 0.00 56.10 57.48 1buj s TRP 34 Cb 0.00 -3.85 -0.02 0.00 -0.00 0.00 0.00 33.47 29.61 1buj s TRP 34 CO 0.00 -2.72 -0.23 0.08 -0.00 0.00 0.00 176.95 174.08 1buj s VAL 35 N -1.23 1.85 -0.69 5.86 1.01 -1.25 -4.33 120.40 121.62 1buj s VAL 35 Ca 0.61 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 1buj s VAL 35 Cb -0.42 -1.54 0.04 0.00 0.00 0.00 0.00 36.38 34.46 1buj s VAL 35 CO 0.54 0.52 2.76 0.00 0.00 0.00 0.00 175.10 178.92 1buj n ALA 36 N 2.52 6.59 0.00 5.51 0.00 -1.26 -3.63 120.51 130.24 1buj n ALA 36 Ca -0.16 -3.23 0.00 0.00 0.00 0.00 0.00 53.44 50.05 1buj n ALA 36 Cb 0.52 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1buj n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1buj n SER 37 N 1.35 0.00 -4.61 0.00 3.41 -1.26 -5.01 113.62 107.51 1buj n SER 37 Ca 0.53 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.82 1buj n SER 37 Cb 0.49 0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.42 1buj n SER 37 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1buj s LYS 38 N -1.91 2.52 0.09 4.33 3.01 -1.24 -4.97 119.74 121.58 1buj s LYS 38 Ca 0.00 -0.76 0.00 0.00 -1.01 0.00 0.00 55.97 54.20 1buj s LYS 38 Cb 0.00 -2.50 0.00 0.00 -1.01 0.00 0.00 37.83 34.32 1buj s LYS 38 CO 0.00 0.59 0.00 0.41 0.51 0.00 0.00 175.35 176.86 1buj n GLY 39 N 1.37 -3.55 3.90 -3.33 0.00 -1.26 -3.79 105.19 98.53 1buj n GLY 39 Ca -0.15 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.62 5.54 -0.05 1.61 4.22 -1.26 -4.61 114.94 118.78 1buj s ASN 40 Ca 0.00 0.89 -0.17 0.00 -2.14 0.00 0.00 52.86 51.44 1buj s ASN 40 Cb 0.00 -1.80 -0.11 0.00 1.28 0.00 0.00 41.25 40.61 1buj s ASN 40 CO 0.00 -1.17 0.70 0.25 -2.04 0.00 0.00 177.10 174.84 1buj h LEU 41 N -0.37 -0.29 -1.99 3.54 5.85 -1.92 -3.26 115.31 116.87 1buj h LEU 41 Ca -0.45 -0.17 0.24 0.00 0.84 0.00 0.00 57.88 58.34 1buj h LEU 41 Cb 1.25 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 1buj h LEU 41 CO 0.62 0.21 0.60 0.00 -0.34 0.00 0.00 178.44 179.53 1buj h ALA 42 N -0.71 2.78 -0.06 1.25 0.00 -1.84 0.30 119.26 120.98 1buj h ALA 42 Ca -0.04 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1buj h ALA 42 Cb 0.45 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1buj h ALA 42 CO 0.06 -1.02 -0.14 1.49 0.00 0.00 0.00 179.25 179.63 1buj h GLU 43 N 0.01 -0.20 0.04 0.00 4.57 -1.98 -2.22 114.58 114.81 1buj h GLU 43 Ca 0.40 0.01 -0.34 0.00 -1.18 0.00 0.00 59.36 58.26 1buj h GLU 43 Cb 1.59 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 30.18 1buj h GLU 43 CO -0.01 -0.13 -1.97 0.28 -1.18 0.00 0.00 179.01 176.00 1buj n VAL 44 N -5.28 1.63 -3.64 0.32 0.31 0.87 -4.57 118.33 107.97 1buj n VAL 44 Ca -0.04 -0.73 -0.29 0.00 -0.01 0.00 0.00 64.34 63.27 1buj n VAL 44 Cb 0.20 -1.25 -0.12 0.00 -0.91 0.00 0.00 33.84 31.76 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 -2.56 2.07 0.56 3.52 0.00 -0.03 -4.93 121.76 120.39 1buj s ALA 45 Ca -0.15 -2.64 -0.17 0.00 0.00 0.00 0.00 51.96 49.00 1buj s ALA 45 Cb 0.07 -1.83 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 1buj s ALA 45 CO 0.78 -2.06 1.05 -1.25 0.00 0.00 0.00 175.76 174.28 1buj s PRO 46 N 0.13 3.50 0.00 0.00 0.04 -0.83 -3.35 135.00 134.49 1buj s PRO 46 Ca 0.22 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1buj s PRO 46 Cb -0.15 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1buj s PRO 46 CO -0.06 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.73 1buj n GLY 47 N -0.86 0.72 3.00 0.56 0.00 -1.26 -4.95 105.19 102.40 1buj n GLY 47 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.24 1.21 0.19 1.61 3.01 -1.21 -4.81 119.74 119.50 1buj s LYS 48 Ca 0.00 -0.32 0.02 0.00 -1.01 0.00 0.00 55.97 54.66 1buj s LYS 48 Cb 0.00 -1.08 0.02 0.00 -1.01 0.00 0.00 37.83 35.75 1buj s LYS 48 CO 0.00 0.07 0.16 0.43 0.51 0.00 0.00 175.35 176.52 1buj n SER 49 N 3.56 1.45 -4.84 2.83 7.64 -0.14 -4.68 113.62 119.45 1buj n SER 49 Ca -0.21 -1.63 -0.35 0.00 1.01 0.00 0.00 58.87 57.69 1buj n SER 49 Cb 0.53 -0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.63 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 -0.81 4.77 0.00 0.44 -1.09 -1.26 -1.77 121.20 121.48 1buj s ILE 50 Ca 0.12 0.95 0.00 0.00 -2.23 0.00 0.00 60.65 59.49 1buj s ILE 50 Cb -0.01 -3.76 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 1buj s ILE 50 CO 0.08 0.19 0.00 0.61 -1.23 0.00 0.00 174.94 174.59 1buj n GLY 51 N 0.66 0.54 1.32 6.18 0.00 -0.18 -1.59 105.19 112.11 1buj n GLY 51 Ca -0.04 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1buj n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1buj n GLY 52 N -0.11 0.66 3.95 -0.02 0.00 -0.74 -3.63 105.19 105.30 1buj n GLY 52 Ca 0.00 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.05 6.33 0.30 1.61 1.11 -1.21 -4.92 116.67 117.84 1buj s ASP 53 Ca 0.00 0.17 -0.27 0.00 0.18 0.00 0.00 52.55 52.63 1buj s ASP 53 Cb 0.00 -1.91 -0.10 0.00 1.07 0.00 0.00 42.92 41.99 1buj s ASP 53 CO 0.00 -0.02 0.93 -0.69 1.18 0.00 0.00 175.17 176.57 1buj s VAL 54 N -1.88 4.20 0.08 -1.27 1.01 -1.26 -0.77 120.40 120.50 1buj s VAL 54 Ca 0.35 1.86 0.09 0.00 0.00 0.00 0.00 61.98 64.27 1buj s VAL 54 Cb -0.10 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1buj s VAL 54 CO 0.29 0.22 -0.21 0.12 0.00 0.00 0.00 175.10 175.52 1buj s PHE 55 N -1.53 2.48 -0.65 5.22 2.19 -1.11 -4.75 117.98 119.83 1buj s PHE 55 Ca 0.48 -0.30 -0.26 0.00 0.33 0.00 0.00 56.93 57.17 1buj s PHE 55 Cb -0.20 -1.39 -0.02 0.00 -1.31 0.00 0.00 43.02 40.10 1buj s PHE 55 CO 0.25 0.28 1.83 0.45 1.83 0.00 0.00 175.22 179.86 1buj s SER 56 N -1.69 5.32 -0.01 6.13 0.15 -1.26 -4.73 113.70 117.61 1buj s SER 56 Ca 0.15 0.18 -0.13 0.00 0.70 0.00 0.00 55.95 56.85 1buj s SER 56 Cb -0.10 -2.53 -0.33 0.00 -1.71 0.00 0.00 66.02 61.34 1buj s SER 56 CO 0.06 -2.37 0.81 -1.13 1.20 0.00 0.00 173.24 171.81 1buj h ASN 57 N 14.28 0.72 -0.44 5.45 -0.73 -1.92 -3.02 115.58 129.92 1buj h ASN 57 Ca -0.23 -0.92 -0.00 0.00 1.87 0.00 0.00 56.30 57.02 1buj h ASN 57 Cb 1.14 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 39.47 1buj h ASN 57 CO 1.22 1.76 0.27 0.03 -0.37 0.00 0.00 177.43 180.33 1buj h ARG 58 N 0.13 0.59 -0.90 6.67 3.08 -1.90 -0.25 114.38 121.80 1buj h ARG 58 Ca -0.31 -0.05 -0.61 0.00 0.07 0.00 0.00 59.98 59.08 1buj h ARG 58 Cb 2.13 -0.12 -0.32 0.00 0.08 0.00 0.00 29.97 31.74 1buj h ARG 58 CO 0.22 0.44 0.39 -1.91 -1.07 0.00 0.00 179.97 178.03 1buj n GLU 59 N -4.74 2.85 0.00 0.04 2.13 -1.26 -4.86 120.64 114.80 1buj n GLU 59 Ca 0.01 -3.49 0.00 0.00 0.66 0.00 0.00 57.16 54.34 1buj n GLU 59 Cb 0.05 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 29.51 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 -0.89 0.43 0.19 8.31 0.00 -0.10 -5.01 105.19 108.12 1buj n GLY 60 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 0.00 0.00 -2.65 1.61 3.00 -1.25 -5.05 116.66 112.32 1buj n ARG 61 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.55 1buj n ARG 61 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.44 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 -2.62 3.71 0.00 6.15 1.43 -1.26 -5.07 118.68 121.01 1buj s LEU 62 Ca 0.00 1.20 -0.15 0.00 -1.03 0.00 0.00 54.13 54.15 1buj s LEU 62 Cb 0.00 -4.12 0.21 0.00 0.03 0.00 0.00 46.19 42.31 1buj s LEU 62 CO 0.00 -0.50 0.97 -0.81 0.23 0.00 0.00 176.35 176.23 1buj n PRO 63 N -1.63 -1.85 -3.18 1.29 -0.04 -1.26 -4.89 135.00 123.43 1buj n PRO 63 Ca 0.03 -1.51 0.02 0.00 -0.04 0.00 0.00 63.50 61.99 1buj n PRO 63 Cb 0.54 -1.19 -0.02 0.00 -0.04 0.00 0.00 33.50 32.79 1buj n PRO 63 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1buj s SER 64 N -4.37 -1.15 1.09 3.54 0.15 -1.26 -5.03 113.70 106.67 1buj s SER 64 Ca 0.58 0.59 -0.16 0.00 0.70 0.00 0.00 55.95 57.67 1buj s SER 64 Cb -0.03 1.96 0.23 0.00 -1.71 0.00 0.00 66.02 66.47 1buj s SER 64 CO 0.43 -0.28 1.12 0.00 1.20 0.00 0.00 173.24 175.71 1buj s ALA 65 N 2.80 0.93 -0.26 5.45 0.00 -1.26 -4.87 121.76 124.54 1buj s ALA 65 Ca 0.17 -0.71 -0.29 0.00 0.00 0.00 0.00 51.96 51.13 1buj s ALA 65 Cb -0.14 -2.98 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 1buj s ALA 65 CO -0.22 -3.12 2.24 0.45 0.00 0.00 0.00 175.76 175.11 1buj n SER 66 N -4.39 3.01 0.00 0.00 2.88 -1.26 -1.12 113.62 112.74 1buj n SER 66 Ca 0.09 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1buj n SER 66 Cb 0.59 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 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 5.91 0.60 3.53 0.46 0.00 -1.26 -5.01 105.19 109.43 1buj n GLY 67 Ca 0.32 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.95 3.38 0.37 1.61 3.52 -0.28 -4.92 118.95 121.68 1buj s ARG 68 Ca 0.00 -0.17 0.01 0.00 -0.13 0.00 0.00 55.73 55.45 1buj s ARG 68 Cb 0.00 -3.97 -0.02 0.00 -1.56 0.00 0.00 34.95 29.40 1buj s ARG 68 CO 0.00 -1.21 0.56 0.99 -0.81 0.00 0.00 175.30 174.83 1buj s THR 69 N 3.41 4.72 -0.02 4.11 2.01 -1.26 -4.68 115.64 123.93 1buj s THR 69 Ca 0.30 -0.56 0.04 0.00 0.31 0.00 0.00 61.69 61.78 1buj s THR 69 Cb -0.12 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 1buj s THR 69 CO 0.22 -0.44 -0.15 0.26 -0.69 0.00 0.00 174.62 173.82 1buj s TRP 70 N -2.34 1.38 0.08 4.92 0.52 -1.26 -0.22 118.94 122.00 1buj s TRP 70 Ca 0.42 -0.30 0.05 0.00 0.02 0.00 0.00 56.10 56.29 1buj s TRP 70 Cb -0.10 -0.90 -0.03 0.00 -1.15 0.00 0.00 33.47 31.29 1buj s TRP 70 CO 0.36 -0.06 -0.13 1.03 0.02 0.00 0.00 176.95 178.17 1buj s ARG 71 N -0.22 0.82 0.30 4.98 0.52 -0.66 -2.76 118.95 121.94 1buj s ARG 71 Ca 0.03 -1.00 0.09 0.00 -0.52 0.00 0.00 55.73 54.33 1buj s ARG 71 Cb -0.07 -0.75 -0.04 0.00 0.52 0.00 0.00 34.95 34.60 1buj s ARG 71 CO 0.00 0.16 0.11 -1.83 0.02 0.00 0.00 175.30 173.75 1buj s GLU 72 N -1.97 2.42 -0.04 3.54 -1.05 0.05 -1.53 118.70 120.13 1buj s GLU 72 Ca -0.00 -1.44 -0.26 0.00 -0.15 0.00 0.00 54.97 53.12 1buj s GLU 72 Cb -0.09 -2.23 0.06 0.00 -0.44 0.00 0.00 34.13 31.43 1buj s GLU 72 CO 0.02 0.23 0.56 0.00 0.95 0.00 0.00 175.26 177.02 1buj s ALA 73 N -2.35 -1.46 0.46 -0.84 0.00 -0.27 -1.79 121.76 115.50 1buj s ALA 73 Ca 0.35 0.99 -0.22 0.00 0.00 0.00 0.00 51.96 53.09 1buj s ALA 73 Cb -0.05 0.04 -0.08 0.00 0.00 0.00 0.00 23.12 23.03 1buj s ALA 73 CO 0.22 -0.34 1.07 -0.51 0.00 0.00 0.00 175.76 176.20 1buj s ASP 74 N -1.26 6.41 0.18 0.00 1.01 -0.62 -0.86 116.67 121.52 1buj s ASP 74 Ca -0.12 2.04 0.10 0.00 0.71 0.00 0.00 52.55 55.28 1buj s ASP 74 Cb -0.02 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1buj s ASP 74 CO 0.08 -0.74 -0.20 -0.63 0.21 0.00 0.00 175.17 173.89 1buj s ILE 75 N -1.79 2.04 0.00 0.77 -1.09 -0.83 -4.73 121.20 115.57 1buj s ILE 75 Ca 0.64 -1.97 0.00 0.00 -2.23 0.00 0.00 60.65 57.08 1buj s ILE 75 Cb -0.21 -1.96 0.00 0.00 -1.58 0.00 0.00 42.46 38.72 1buj s ILE 75 CO 0.25 -0.25 0.00 0.59 -1.23 0.00 0.00 174.94 174.31 1buj n ASN 76 N 0.25 0.00 -2.91 3.58 4.13 -0.48 -4.71 115.26 115.12 1buj n ASN 76 Ca -0.13 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.12 1buj n ASN 76 Cb 0.57 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.81 1buj n ASN 76 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1buj n TYR 77 N 0.00 -2.60 -0.08 3.10 9.36 -1.26 -4.97 117.16 120.71 1buj n TYR 77 Ca 0.00 1.14 -0.10 0.00 3.32 0.00 0.00 57.90 62.27 1buj n TYR 77 Cb 0.00 -2.94 -0.08 0.00 -0.63 0.00 0.00 39.34 35.69 1buj n TYR 77 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1buj n VAL 78 N 0.82 0.92 0.00 2.97 0.31 -1.26 -5.12 118.33 116.96 1buj n VAL 78 Ca 0.00 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1buj n VAL 78 Cb 0.22 -0.93 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 1buj n VAL 78 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1buj n SER 79 N -2.80 0.00 -0.08 4.52 3.41 -1.26 -5.02 113.62 112.39 1buj n SER 79 Ca -0.26 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 1buj n SER 79 Cb 0.85 0.29 -0.00 0.00 -0.26 0.00 0.00 64.21 65.09 1buj n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1buj n GLY 80 N -1.39 -2.78 1.72 5.00 0.00 -1.26 -4.94 105.19 101.54 1buj n GLY 80 Ca 0.00 -1.34 0.05 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.79 -2.32 -3.11 1.61 3.72 -1.26 -4.75 117.46 109.56 1buj n PHE 81 Ca -0.00 0.49 -0.33 0.00 -0.05 0.00 0.00 57.45 57.56 1buj n PHE 81 Cb 0.03 -0.88 -0.06 0.00 -0.94 0.00 0.00 39.48 37.63 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 -1.14 4.03 0.80 -1.08 1.81 -1.26 -4.88 118.95 117.22 1buj s ARG 82 Ca 0.00 0.71 -0.11 0.00 -1.72 0.00 0.00 55.73 54.61 1buj s ARG 82 Cb 0.00 -2.43 0.07 0.00 -0.45 0.00 0.00 34.95 32.15 1buj s ARG 82 CO 0.00 0.15 1.12 0.54 -0.68 0.00 0.00 175.30 176.43 1buj s ASN 83 N -2.24 4.08 0.26 0.23 2.20 -1.26 -4.95 114.94 113.26 1buj s ASN 83 Ca 0.54 2.00 0.00 0.00 -0.94 0.00 0.00 52.86 54.46 1buj s ASN 83 Cb -0.10 -2.54 0.00 0.00 -2.00 0.00 0.00 41.25 36.60 1buj s ASN 83 CO 0.17 -2.32 0.00 0.00 -2.94 0.00 0.00 177.10 172.01 1buj n ALA 84 N -3.52 1.92 -2.07 3.54 0.00 -1.26 -5.06 120.51 114.06 1buj n ALA 84 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 1buj n ALA 84 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 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 -3.92 6.58 0.02 0.00 1.11 -1.26 -4.65 116.67 114.54 1buj s ASP 85 Ca 0.00 1.99 -0.03 0.00 0.18 0.00 0.00 52.55 54.69 1buj s ASP 85 Cb 0.00 -2.53 -0.01 0.00 1.07 0.00 0.00 42.92 41.44 1buj s ASP 85 CO 0.00 -1.04 0.04 -0.13 1.18 0.00 0.00 175.17 175.22 1buj s ARG 86 N 4.24 0.41 -0.14 8.23 0.52 -0.42 -1.96 118.95 129.82 1buj s ARG 86 Ca 0.72 -0.57 -0.05 0.00 -0.52 0.00 0.00 55.73 55.31 1buj s ARG 86 Cb -0.30 0.16 -0.03 0.00 0.52 0.00 0.00 34.95 35.30 1buj s ARG 86 CO 0.28 -0.08 0.01 -1.17 0.02 0.00 0.00 175.30 174.36 1buj s LEU 87 N -1.55 3.55 -0.15 2.53 2.96 -0.04 -1.83 118.68 124.16 1buj s LEU 87 Ca -0.14 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 1buj s LEU 87 Cb -0.08 -1.86 0.03 0.00 0.50 0.00 0.00 46.19 44.78 1buj s LEU 87 CO -0.01 0.23 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.46 1buj s VAL 88 N 0.00 1.33 0.07 1.68 1.01 -0.06 -1.12 120.40 123.32 1buj s VAL 88 Ca 0.03 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.50 1buj s VAL 88 Cb -0.13 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1buj s VAL 88 CO 0.02 0.34 -0.15 -0.72 0.00 0.00 0.00 175.10 174.59 1buj s TYR 89 N 1.57 1.27 0.66 5.22 -0.85 -0.58 -1.39 117.35 123.26 1buj s TYR 89 Ca 0.03 -0.45 -0.02 0.00 -0.52 0.00 0.00 57.07 56.11 1buj s TYR 89 Cb -0.14 -0.72 0.08 0.00 0.38 0.00 0.00 41.96 41.57 1buj s TYR 89 CO -0.09 0.07 0.93 -1.54 -1.52 0.00 0.00 175.55 173.40 1buj s SER 90 N -1.73 4.77 0.14 -0.18 1.04 -0.66 -1.65 113.70 115.43 1buj s SER 90 Ca -0.01 0.01 -0.20 0.00 0.48 0.00 0.00 55.95 56.23 1buj s SER 90 Cb -0.10 -0.64 0.00 0.00 0.10 0.00 0.00 66.02 65.38 1buj s SER 90 CO 0.02 -1.55 1.69 0.28 0.98 0.00 0.00 173.24 174.66 1buj h SER 91 N -0.36 -0.27 -0.44 7.02 0.02 -0.94 -1.86 113.55 116.72 1buj h SER 91 Ca -0.41 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.61 1buj h SER 91 Cb 1.29 0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.99 1buj h SER 91 CO 0.50 -0.10 0.01 -0.90 -1.14 0.00 0.00 176.83 175.20 1buj n ASP 92 N -5.24 4.56 -1.91 3.07 5.75 -1.26 -4.89 116.55 116.63 1buj n ASP 92 Ca -0.01 -2.71 -0.07 0.00 -0.01 0.00 0.00 54.79 51.98 1buj n ASP 92 Cb 0.16 -0.64 0.03 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 0.45 -0.94 -3.45 2.11 7.02 -0.70 -5.01 117.44 116.92 1buj n TRP 93 Ca 0.21 0.38 -0.38 0.00 -1.02 0.00 0.00 57.50 56.69 1buj n TRP 93 Cb 0.97 -3.07 -0.09 0.00 -2.42 0.00 0.00 31.31 26.70 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 -3.68 4.09 -0.07 -0.99 1.02 -1.26 -4.88 118.68 112.91 1buj s LEU 94 Ca 0.06 0.32 0.00 0.00 0.02 0.00 0.00 54.13 54.53 1buj s LEU 94 Cb -0.03 -2.38 -0.03 0.00 0.02 0.00 0.00 46.19 43.78 1buj s LEU 94 CO 0.29 -0.09 -0.06 -0.63 0.02 0.00 0.00 176.35 175.88 1buj s ILE 95 N 1.59 3.73 0.05 -0.59 1.01 -1.26 -1.65 121.20 124.08 1buj s ILE 95 Ca 0.14 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 1buj s ILE 95 Cb -0.15 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 1buj s ILE 95 CO 0.08 0.59 -0.02 -0.31 0.00 0.00 0.00 174.94 175.29 1buj s TYR 96 N -0.75 0.50 0.31 3.97 1.51 -0.48 -2.82 117.35 119.58 1buj s TYR 96 Ca 0.11 -1.04 0.11 0.00 -1.01 0.00 0.00 57.07 55.25 1buj s TYR 96 Cb -0.11 -0.37 -0.06 0.00 -0.11 0.00 0.00 41.96 41.31 1buj s TYR 96 CO 0.02 -0.39 -0.15 -1.59 -1.11 0.00 0.00 175.55 172.33 1buj s LYS 97 N -3.88 1.75 -0.24 -0.62 0.00 -0.44 -0.88 119.74 115.42 1buj s LYS 97 Ca 0.07 -1.85 -0.20 0.00 0.00 0.00 0.00 55.97 53.98 1buj s LYS 97 Cb 0.08 -1.73 0.07 0.00 0.00 0.00 0.00 37.83 36.24 1buj s LYS 97 CO -0.10 0.24 0.64 -0.08 0.00 0.00 0.00 175.35 176.05 1buj s THR 98 N -2.56 -0.00 -0.90 3.79 -1.32 -0.76 -2.46 115.64 111.42 1buj s THR 98 Ca 0.31 0.01 0.12 0.00 -1.21 0.00 0.00 61.69 60.92 1buj s THR 98 Cb -0.01 -0.90 -0.05 0.00 -1.51 0.00 0.00 72.50 70.03 1buj s THR 98 CO 0.16 0.00 0.63 0.35 -2.21 0.00 0.00 174.62 173.55 1buj n THR 99 N 3.11 0.00 -1.64 5.08 -2.24 -1.26 -1.30 114.28 116.03 1buj n THR 99 Ca -0.15 -0.31 -0.09 0.00 -2.27 0.00 0.00 64.05 61.22 1buj n THR 99 Cb 0.56 1.09 0.15 0.00 -2.10 0.00 0.00 70.33 70.02 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 -0.63 3.31 -2.72 3.42 5.68 -1.26 -4.58 116.55 119.77 1buj n ASP 100 Ca 0.04 -3.82 -0.12 0.00 -0.50 0.00 0.00 54.79 50.40 1buj n ASP 100 Cb 0.23 -0.56 0.06 0.00 -1.14 0.00 0.00 41.12 39.71 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 -1.00 -1.60 -3.66 2.11 -0.00 -1.26 -2.17 115.22 107.64 1buj n HIS 101 Ca 0.35 0.65 -0.18 0.00 -0.00 0.00 0.00 57.72 58.54 1buj n HIS 101 Cb 0.90 -4.06 -0.01 0.00 -0.00 0.00 0.00 29.99 26.83 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 -3.10 -0.56 -0.08 1.57 4.11 -1.26 -4.81 117.16 113.03 1buj n TYR 102 Ca -0.17 0.11 -0.23 0.00 -0.00 0.00 0.00 57.90 57.61 1buj n TYR 102 Cb 0.61 -1.18 -0.12 0.00 -0.00 0.00 0.00 39.34 38.65 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 -2.64 1.01 -2.33 -3.48 0.00 -0.92 -4.93 120.51 107.21 1buj n ALA 103 Ca -0.08 -0.74 -0.17 0.00 0.00 0.00 0.00 53.44 52.44 1buj n ALA 103 Cb 0.26 -0.39 -0.10 0.00 0.00 0.00 0.00 19.45 19.22 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 -2.48 0.60 0.08 0.00 -4.23 -1.26 -5.08 115.64 103.27 1buj s THR 104 Ca -0.30 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.20 1buj s THR 104 Cb 0.08 -2.64 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1buj s THR 104 CO 0.63 0.00 0.00 -0.36 -0.54 0.00 0.00 174.62 174.36 1buj s PHE 105 N -3.70 0.65 -0.02 3.99 0.40 -1.26 -4.66 117.98 113.38 1buj s PHE 105 Ca 0.37 -1.13 0.01 0.00 -0.60 0.00 0.00 56.93 55.58 1buj s PHE 105 Cb 0.08 -0.42 0.02 0.00 0.51 0.00 0.00 43.02 43.20 1buj s PHE 105 CO 0.14 -0.43 -0.02 0.99 0.70 0.00 0.00 175.22 176.60 1buj s THR 106 N -3.97 0.26 -0.03 0.64 2.01 -1.03 -4.95 115.64 108.57 1buj s THR 106 Ca 0.13 -0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 1buj s THR 106 Cb 0.08 -0.31 -0.03 0.00 0.01 0.00 0.00 72.50 72.25 1buj s THR 106 CO -0.06 0.14 1.11 -0.60 -0.69 0.00 0.00 174.62 174.52 1buj s ARG 107 N 0.68 4.43 -0.19 4.92 3.52 -1.26 -1.33 118.95 129.71 1buj s ARG 107 Ca -0.07 1.57 -0.00 0.00 -0.13 0.00 0.00 55.73 57.10 1buj s ARG 107 Cb -0.10 -3.49 -0.12 0.00 -1.56 0.00 0.00 34.95 29.67 1buj s ARG 107 CO -0.01 -0.30 -0.18 0.44 -0.81 0.00 0.00 175.30 174.44 1buj n ILE 108 N 4.33 1.09 1.01 4.11 -6.64 -1.13 -4.99 119.36 117.13 1buj n ILE 108 Ca 0.09 -0.39 0.12 0.00 -1.77 0.00 0.00 62.75 60.80 1buj n ILE 108 Cb 0.48 -1.26 0.11 0.00 -1.44 0.00 0.00 39.64 37.53 1buj n ILE 108 CO 0.00 0.00 0.00 -1.14 -1.77 0.00 0.00 176.55 173.64