#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 0.06 -4.65 0.00 3.14 -1.26 -4.37 118.33 111.26 1buj n VAL 2 Ca 0.00 -3.40 -0.34 0.00 -2.96 0.00 0.00 64.34 57.64 1buj n VAL 2 Cb 0.00 0.39 -0.12 0.00 -1.06 0.00 0.00 33.84 33.05 1buj n VAL 2 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1buj s ILE 3 N -1.71 3.59 -0.36 1.55 -1.09 -1.26 -4.99 121.20 116.93 1buj s ILE 3 Ca 0.32 -0.51 0.12 0.00 -2.23 0.00 0.00 60.65 58.36 1buj s ILE 3 Cb 0.36 -2.48 0.41 0.00 -1.58 0.00 0.00 42.46 39.17 1buj s ILE 3 CO -0.05 0.58 1.47 -0.46 -1.23 0.00 0.00 174.94 175.25 1buj n ASN 4 N 2.49 -1.48 -4.58 3.58 6.94 -1.26 -4.79 115.26 116.16 1buj n ASN 4 Ca -0.18 -2.29 -0.26 0.00 -0.02 0.00 0.00 54.58 51.83 1buj n ASN 4 Cb 0.53 0.74 -0.10 0.00 -2.36 0.00 0.00 39.78 38.59 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 -0.00 2.31 0.09 5.53 -4.23 -1.26 -2.28 115.64 115.81 1buj s THR 5 Ca 0.14 -2.10 -0.22 0.00 -1.18 0.00 0.00 61.69 58.32 1buj s THR 5 Cb 0.43 -2.74 -0.13 0.00 1.34 0.00 0.00 72.50 71.41 1buj s THR 5 CO -0.11 -0.17 1.72 -0.26 -0.54 0.00 0.00 174.62 175.26 1buj h PHE 6 N 1.92 0.09 -0.24 3.99 0.04 -1.97 -0.02 116.94 120.74 1buj h PHE 6 Ca -0.42 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.18 1buj h PHE 6 Cb 1.25 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 39.37 1buj h PHE 6 CO 0.74 0.09 -0.54 -0.44 -0.60 0.00 0.00 178.31 177.57 1buj h ASP 7 N 0.06 0.78 -0.07 2.17 5.19 -1.98 -2.79 116.42 119.78 1buj h ASP 7 Ca 0.03 -0.41 -0.02 0.00 -0.62 0.00 0.00 57.03 56.00 1buj h ASP 7 Cb 0.03 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.31 1buj h ASP 7 CO -0.00 1.16 -0.05 1.23 -3.12 0.00 0.00 179.24 178.46 1buj h GLY 8 N 0.90 0.17 1.11 2.75 0.00 -1.88 0.27 103.07 106.39 1buj h GLY 8 Ca 0.01 -0.17 -0.16 0.00 0.00 0.00 0.00 47.33 47.02 1buj h GLY 8 CO 0.11 0.15 -0.38 -2.08 0.00 0.00 0.00 176.54 174.34 1buj h VAL 9 N -0.25 1.27 -0.76 4.60 2.07 -1.12 -2.27 116.25 119.79 1buj h VAL 9 Ca 0.01 -1.55 0.02 0.00 0.82 0.00 0.00 66.70 66.00 1buj h VAL 9 Cb 0.53 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 1buj h VAL 9 CO 0.01 0.52 0.50 0.00 0.02 0.00 0.00 177.57 178.62 1buj h ALA 10 N 0.76 1.49 -0.07 1.67 0.00 -1.40 -1.06 119.26 120.65 1buj h ALA 10 Ca 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1buj h ALA 10 Cb 0.97 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1buj h ALA 10 CO 0.09 0.46 0.03 -0.44 0.00 0.00 0.00 179.25 179.39 1buj h ASP 11 N 1.00 0.10 -0.90 0.00 5.19 -0.64 -1.81 116.42 119.36 1buj h ASP 11 Ca 0.29 -0.16 0.03 0.00 -0.62 0.00 0.00 57.03 56.57 1buj h ASP 11 Cb -0.06 -0.03 -0.05 0.00 0.18 0.00 0.00 39.33 39.37 1buj h ASP 11 CO -0.07 0.23 0.59 1.88 -3.12 0.00 0.00 179.24 178.74 1buj h TYR 12 N -0.03 1.10 0.62 4.55 -1.99 -0.78 0.89 116.97 121.33 1buj h TYR 12 Ca 0.02 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 1buj h TYR 12 Cb 0.16 -0.37 -0.01 0.00 2.00 0.00 0.00 36.73 38.51 1buj h TYR 12 CO -0.02 0.65 -0.45 -0.07 -0.00 0.00 0.00 178.16 178.27 1buj h LEU 13 N 1.16 -1.17 -0.75 3.88 3.38 -1.05 -0.27 115.31 120.49 1buj h LEU 13 Ca 0.35 0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.50 1buj h LEU 13 Cb -0.03 0.36 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 1buj h LEU 13 CO -0.11 -0.66 0.39 0.40 0.09 0.00 0.00 178.44 178.55 1buj h ILE 14 N -1.03 0.84 0.11 1.22 1.08 -0.69 0.15 117.51 119.20 1buj h ILE 14 Ca -0.08 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.17 1buj h ILE 14 Cb 0.85 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.75 1buj h ILE 14 CO 0.03 0.12 -0.05 -0.09 -0.69 0.00 0.00 178.15 177.47 1buj h ARG 15 N 0.64 -0.14 0.00 2.37 2.43 -0.66 -3.37 114.38 115.65 1buj h ARG 15 Ca 0.37 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1buj h ARG 15 Cb 0.40 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1buj h ARG 15 CO -0.28 -0.10 -0.62 0.66 -1.51 0.00 0.00 179.97 178.13 1buj n TYR 16 N -4.05 0.15 -3.16 2.20 4.01 -0.13 -4.93 117.16 111.25 1buj n TYR 16 Ca -0.02 0.04 -0.15 0.00 -0.16 0.00 0.00 57.90 57.61 1buj n TYR 16 Cb 0.06 -0.35 0.05 0.00 -0.31 0.00 0.00 39.34 38.79 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 -1.69 -4.89 -3.78 -0.72 4.81 0.53 -5.02 118.16 107.40 1buj n LYS 17 Ca 0.05 0.53 -0.05 0.00 -0.87 0.00 0.00 58.31 57.96 1buj n LYS 17 Cb 0.37 -4.65 -0.02 0.00 0.02 0.00 0.00 35.03 30.76 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 -5.79 1.43 1.08 1.64 1.70 -1.23 -5.03 118.95 112.75 1buj s ARG 18 Ca 0.36 -0.78 -0.13 0.00 -0.47 0.00 0.00 55.73 54.71 1buj s ARG 18 Cb -0.16 0.49 0.23 0.00 -0.57 0.00 0.00 34.95 34.95 1buj s ARG 18 CO 0.44 -0.65 1.06 -0.51 -1.08 0.00 0.00 175.30 174.56 1buj s LEU 19 N -2.92 1.24 0.78 -1.89 1.43 -1.26 -2.81 118.68 113.25 1buj s LEU 19 Ca 0.11 1.35 -0.11 0.00 -1.03 0.00 0.00 54.13 54.45 1buj s LEU 19 Cb -0.03 -3.40 0.06 0.00 0.03 0.00 0.00 46.19 42.84 1buj s LEU 19 CO 0.04 -3.64 1.09 -2.16 0.23 0.00 0.00 176.35 171.90 1buj s PRO 20 N -4.73 2.27 0.00 1.29 0.04 -1.26 -4.92 135.00 127.69 1buj s PRO 20 Ca 0.67 0.71 0.25 0.00 0.04 0.00 0.00 61.00 62.66 1buj s PRO 20 Cb -0.22 -1.93 0.87 0.00 0.04 0.00 0.00 34.50 33.26 1buj s PRO 20 CO 0.61 -1.51 1.63 -3.47 0.04 0.00 0.00 177.00 174.30 1buj n ASP 21 N -3.37 1.68 0.08 6.66 2.03 -1.26 -3.17 116.55 119.20 1buj n ASP 21 Ca 0.07 -1.62 0.13 0.00 0.52 0.00 0.00 54.79 53.89 1buj n ASP 21 Cb 0.56 -0.05 0.33 0.00 -0.72 0.00 0.00 41.12 41.23 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 0.32 0.70 -4.46 1.67 6.94 -1.26 -4.60 115.26 114.57 1buj n ASN 22 Ca 0.18 0.37 -0.44 0.00 -0.02 0.00 0.00 54.58 54.67 1buj n ASN 22 Cb 0.36 -0.39 -0.07 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 -3.11 3.09 0.64 -2.53 1.51 -1.19 -2.26 117.35 113.50 1buj s TYR 23 Ca 0.09 -0.47 -0.02 0.00 -1.01 0.00 0.00 57.07 55.67 1buj s TYR 23 Cb 0.13 -3.34 0.07 0.00 -0.11 0.00 0.00 41.96 38.71 1buj s TYR 23 CO 0.64 -0.92 0.90 0.96 -1.11 0.00 0.00 175.55 176.02 1buj s ILE 24 N 2.47 2.42 0.59 2.71 -4.36 -0.27 -4.55 121.20 120.21 1buj s ILE 24 Ca 0.15 -0.53 -0.01 0.00 -0.26 0.00 0.00 60.65 60.00 1buj s ILE 24 Cb -0.18 -2.88 0.04 0.00 1.25 0.00 0.00 42.46 40.68 1buj s ILE 24 CO 0.13 0.00 0.83 0.42 0.24 0.00 0.00 174.94 176.56 1buj s THR 25 N -3.01 2.56 0.21 8.37 -4.23 -1.25 -0.73 115.64 117.57 1buj s THR 25 Ca 0.61 -0.57 -0.09 0.00 -1.18 0.00 0.00 61.69 60.46 1buj s THR 25 Cb -0.09 -2.99 0.15 0.00 1.34 0.00 0.00 72.50 70.91 1buj s THR 25 CO 0.42 0.00 1.82 0.11 -0.54 0.00 0.00 174.62 176.43 1buj h LYS 26 N -0.10 0.72 -0.63 3.99 1.57 -1.94 -2.13 116.57 118.05 1buj h LYS 26 Ca -0.42 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.33 1buj h LYS 26 Cb 1.30 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 1buj h LYS 26 CO 0.54 0.47 0.42 0.77 -0.57 0.00 0.00 179.45 181.08 1buj h SER 27 N 0.74 0.69 -0.03 0.86 0.02 -1.99 0.01 113.55 113.86 1buj h SER 27 Ca 0.31 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.13 1buj h SER 27 Cb 0.17 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 62.55 1buj h SER 27 CO -0.17 0.49 -0.44 1.56 -1.14 0.00 0.00 176.83 177.13 1buj h GLN 28 N 0.81 0.34 -0.65 3.45 1.08 -1.79 -1.41 115.11 116.95 1buj h GLN 28 Ca 0.24 -0.33 0.10 0.00 -1.45 0.00 0.00 58.65 57.21 1buj h GLN 28 Cb -0.02 0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 27.42 1buj h GLN 28 CO -0.06 1.01 0.26 0.00 -0.95 0.00 0.00 178.83 179.09 1buj h ALA 29 N 0.34 0.86 -0.77 3.87 0.00 -1.03 -0.71 119.26 121.82 1buj h ALA 29 Ca -0.05 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1buj h ALA 29 Cb 1.14 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1buj h ALA 29 CO 0.09 -0.17 0.30 0.77 0.00 0.00 0.00 179.25 180.24 1buj h SER 30 N 0.45 1.07 -0.50 0.00 0.02 -0.85 0.06 113.55 113.81 1buj h SER 30 Ca 0.33 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1buj h SER 30 Cb 0.41 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1buj h SER 30 CO -0.31 0.96 0.15 0.00 -1.14 0.00 0.00 176.83 176.48 1buj h ALA 31 N 1.19 1.23 0.00 3.77 0.00 -0.57 -0.56 119.26 124.32 1buj h ALA 31 Ca 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1buj h ALA 31 Cb 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1buj h ALA 31 CO -0.02 0.54 0.00 1.28 0.00 0.00 0.00 179.25 181.05 1buj n LEU 32 N -4.28 0.33 0.00 0.00 4.77 -0.33 -4.84 117.00 112.64 1buj n LEU 32 Ca 0.04 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1buj n LEU 32 Cb 0.21 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1buj n LEU 32 CO 0.40 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 1buj n GLY 33 N 0.72 1.10 3.77 -0.72 0.00 -0.21 -4.84 105.19 104.99 1buj n GLY 33 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 2.41 -0.03 1.61 -0.00 -0.16 -4.95 118.94 115.80 1buj s TRP 34 Ca 0.00 1.25 0.03 0.00 -0.00 0.00 0.00 56.10 57.38 1buj s TRP 34 Cb 0.00 -3.95 0.00 0.00 -0.00 0.00 0.00 33.47 29.53 1buj s TRP 34 CO 0.00 -3.04 -0.11 0.08 -0.00 0.00 0.00 176.95 173.88 1buj s VAL 35 N -1.20 0.97 0.18 5.86 1.01 -1.26 -4.33 120.40 121.63 1buj s VAL 35 Ca 0.62 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 1buj s VAL 35 Cb -0.44 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1buj s VAL 35 CO 0.57 0.30 1.52 0.00 0.00 0.00 0.00 175.10 177.48 1buj h ALA 36 N 6.41 0.69 -0.47 5.51 0.00 -1.95 -1.96 119.26 127.49 1buj h ALA 36 Ca -0.33 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.11 1buj h ALA 36 Cb 1.17 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1buj h ALA 36 CO 0.48 0.67 0.25 0.77 0.00 0.00 0.00 179.25 181.42 1buj h SER 37 N 0.61 0.57 -1.40 0.00 0.02 -2.03 -3.43 113.55 107.89 1buj h SER 37 Ca 0.04 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1buj h SER 37 Cb 0.98 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1buj h SER 37 CO 0.09 0.48 0.00 1.17 -1.14 0.00 0.00 176.83 177.43 1buj n LYS 38 N -4.41 0.12 0.00 3.45 4.81 -0.74 -5.07 118.16 116.32 1buj n LYS 38 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1buj n LYS 38 Cb 0.11 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.16 1buj n LYS 38 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1buj n GLY 39 N 4.50 0.88 3.83 3.14 0.00 -1.26 -4.92 105.19 111.36 1buj n GLY 39 Ca 0.00 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.01 4.52 -0.00 1.61 4.22 -1.26 -4.87 114.94 118.15 1buj s ASN 40 Ca 0.00 1.14 -0.24 0.00 -2.14 0.00 0.00 52.86 51.63 1buj s ASN 40 Cb 0.00 -1.84 -0.15 0.00 1.28 0.00 0.00 41.25 40.54 1buj s ASN 40 CO 0.00 -1.93 1.09 0.25 -2.04 0.00 0.00 177.10 174.47 1buj h LEU 41 N -1.07 -0.45 -1.98 3.54 5.85 -1.90 -3.24 115.31 116.06 1buj h LEU 41 Ca -0.47 -0.13 0.22 0.00 0.84 0.00 0.00 57.88 58.34 1buj h LEU 41 Cb 1.28 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 1buj h LEU 41 CO 0.62 -0.05 0.57 0.00 -0.34 0.00 0.00 178.44 179.23 1buj h ALA 42 N -0.57 2.67 -0.35 1.25 0.00 -1.67 0.29 119.26 120.87 1buj h ALA 42 Ca -0.05 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1buj h ALA 42 Cb 0.55 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1buj h ALA 42 CO 0.09 -0.96 -0.06 1.49 0.00 0.00 0.00 179.25 179.81 1buj h GLU 43 N 0.00 0.03 0.04 0.00 4.22 -1.84 -1.93 114.58 115.10 1buj h GLU 43 Ca 0.36 -0.00 -0.37 0.00 0.08 0.00 0.00 59.36 59.42 1buj h GLU 43 Cb 1.49 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.69 1buj h GLU 43 CO -0.00 0.02 -2.26 0.28 -2.18 0.00 0.00 179.01 174.86 1buj n VAL 44 N -5.25 1.59 -3.72 0.32 0.31 0.83 -4.67 118.33 107.73 1buj n VAL 44 Ca 0.01 -0.64 -0.29 0.00 -0.01 0.00 0.00 64.34 63.42 1buj n VAL 44 Cb 0.19 -1.43 -0.12 0.00 -0.91 0.00 0.00 33.84 31.56 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 -2.54 2.48 0.51 3.52 0.00 -0.10 -4.89 121.76 120.75 1buj s ALA 45 Ca -0.27 -2.89 -0.19 0.00 0.00 0.00 0.00 51.96 48.61 1buj s ALA 45 Cb 0.08 -1.92 -0.07 0.00 0.00 0.00 0.00 23.12 21.20 1buj s ALA 45 CO 0.69 -2.05 1.04 -1.25 0.00 0.00 0.00 175.76 174.19 1buj s PRO 46 N -0.12 3.69 0.00 0.00 0.04 -0.73 -3.66 135.00 134.21 1buj s PRO 46 Ca 0.21 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1buj s PRO 46 Cb -0.16 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1buj s PRO 46 CO -0.06 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1buj n GLY 47 N -0.47 0.59 3.19 0.56 0.00 -1.26 -5.01 105.19 102.79 1buj n GLY 47 Ca 0.09 -0.03 -0.20 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 -0.23 0.95 0.41 1.61 3.01 -1.24 -4.89 119.74 119.35 1buj s LYS 48 Ca 0.00 -0.94 0.04 0.00 -1.01 0.00 0.00 55.97 54.06 1buj s LYS 48 Cb 0.00 -1.02 -0.04 0.00 -1.01 0.00 0.00 37.83 35.76 1buj s LYS 48 CO 0.00 0.24 0.06 -1.12 0.51 0.00 0.00 175.35 175.04 1buj s SER 49 N -1.56 3.10 0.08 2.83 0.01 -0.96 -4.70 113.70 112.50 1buj s SER 49 Ca 0.01 -1.54 -0.25 0.00 1.31 0.00 0.00 55.95 55.48 1buj s SER 49 Cb -0.09 0.22 -0.06 0.00 0.21 0.00 0.00 66.02 66.29 1buj s SER 49 CO 0.02 -0.75 0.78 -0.63 0.41 0.00 0.00 173.24 173.06 1buj s ILE 50 N -3.10 4.64 -0.08 1.44 -1.09 -1.26 -1.12 121.20 120.63 1buj s ILE 50 Ca 0.25 1.66 -0.32 0.00 -2.23 0.00 0.00 60.65 60.02 1buj s ILE 50 Cb 0.05 -4.13 0.12 0.00 -1.58 0.00 0.00 42.46 36.92 1buj s ILE 50 CO 0.13 0.40 1.14 -0.83 -1.23 0.00 0.00 174.94 174.55 1buj s GLY 51 N -0.32 -0.35 0.00 6.18 0.00 0.09 -1.75 107.32 111.17 1buj s GLY 51 Ca 0.38 1.13 0.00 0.00 0.00 0.00 0.00 44.72 46.24 1buj s GLY 51 CO 0.24 0.35 0.00 0.61 0.00 0.00 0.00 173.10 174.30 1buj n GLY 52 N -0.25 0.74 3.94 0.20 0.00 -0.91 -3.92 105.19 104.98 1buj n GLY 52 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.06 6.35 0.31 1.61 1.11 -1.20 -4.90 116.67 117.88 1buj s ASP 53 Ca 0.00 0.39 -0.26 0.00 0.18 0.00 0.00 52.55 52.86 1buj s ASP 53 Cb 0.00 -2.00 -0.10 0.00 1.07 0.00 0.00 42.92 41.89 1buj s ASP 53 CO 0.00 -0.13 0.92 -0.69 1.18 0.00 0.00 175.17 176.45 1buj s VAL 54 N -2.04 4.24 -0.13 -1.27 1.01 -1.26 -0.92 120.40 120.03 1buj s VAL 54 Ca 0.39 1.78 0.10 0.00 0.00 0.00 0.00 61.98 64.25 1buj s VAL 54 Cb -0.10 -4.01 -0.15 0.00 0.00 0.00 0.00 36.38 32.12 1buj s VAL 54 CO 0.31 0.16 0.02 0.33 0.00 0.00 0.00 175.10 175.93 1buj n PHE 55 N 0.61 0.00 0.00 5.22 -0.00 -1.01 -4.66 117.46 117.61 1buj n PHE 55 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 1buj n PHE 55 Cb 0.50 -0.63 0.00 0.00 -0.00 0.00 0.00 39.48 39.35 1buj n PHE 55 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1buj n SER 56 N -2.53 0.00 -1.81 -2.13 7.64 -1.20 -4.80 113.62 108.80 1buj n SER 56 Ca -0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.66 1buj n SER 56 Cb 0.90 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 1buj n SER 56 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1buj n ASN 57 N 3.97 -8.01 -2.01 6.43 5.15 -1.26 -4.42 115.26 115.11 1buj n ASN 57 Ca 0.00 1.17 -0.21 0.00 -0.60 0.00 0.00 54.58 54.95 1buj n ASN 57 Cb 0.00 -4.45 0.12 0.00 -0.53 0.00 0.00 39.78 34.93 1buj n ASN 57 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1buj n ARG 58 N 1.48 2.06 -2.90 1.20 0.63 -1.26 -4.95 116.66 112.91 1buj n ARG 58 Ca 0.00 -2.41 -0.10 0.00 -0.92 0.00 0.00 57.85 54.42 1buj n ARG 58 Cb 0.00 -1.94 0.01 0.00 0.45 0.00 0.00 32.46 30.98 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 -0.70 -2.41 0.08 -0.14 1.02 -1.26 -4.94 120.64 112.29 1buj n GLU 59 Ca 0.48 2.10 0.00 0.00 -0.02 0.00 0.00 57.16 59.72 1buj n GLU 59 Cb 1.24 -5.30 0.00 0.00 -0.02 0.00 0.00 31.44 27.36 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 -0.20 -1.83 0.12 0.62 0.00 -1.26 -4.99 105.19 97.64 1buj n GLY 60 Ca 0.09 0.44 -0.19 0.00 0.00 0.00 0.00 46.02 46.36 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 0.32 -6.34 1.61 3.08 -1.98 -3.44 114.38 107.62 1buj h ARG 61 Ca 0.00 -0.54 -0.61 0.00 0.07 0.00 0.00 59.98 58.89 1buj h ARG 61 Cb 0.00 0.20 -0.11 0.00 0.08 0.00 0.00 29.97 30.14 1buj h ARG 61 CO 0.00 1.21 -0.65 -0.51 -1.07 0.00 0.00 179.97 178.94 1buj s LEU 62 N -7.14 3.37 0.59 3.04 1.43 -1.26 -4.91 118.68 113.81 1buj s LEU 62 Ca -0.10 -0.33 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 1buj s LEU 62 Cb 0.06 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1buj s LEU 62 CO 0.87 0.11 1.05 -2.16 0.23 0.00 0.00 176.35 176.44 1buj s PRO 63 N -2.81 3.37 -0.28 1.29 0.04 -1.26 -4.62 135.00 130.74 1buj s PRO 63 Ca 0.27 1.16 -0.19 0.00 0.04 0.00 0.00 61.00 62.28 1buj s PRO 63 Cb -0.10 -2.04 0.09 0.00 0.04 0.00 0.00 34.50 32.48 1buj s PRO 63 CO 0.19 -0.76 0.74 0.45 0.04 0.00 0.00 177.00 177.66 1buj s SER 64 N -2.88 -0.82 -0.12 6.66 0.15 -1.26 -4.95 113.70 110.48 1buj s SER 64 Ca 0.63 1.40 -0.18 0.00 0.70 0.00 0.00 55.95 58.50 1buj s SER 64 Cb -0.15 1.37 0.04 0.00 -1.71 0.00 0.00 66.02 65.57 1buj s SER 64 CO 0.37 -0.23 0.46 0.00 1.20 0.00 0.00 173.24 175.04 1buj s ALA 65 N 1.17 -1.14 0.00 5.45 0.00 -1.26 -4.92 121.76 121.06 1buj s ALA 65 Ca -0.06 1.08 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1buj s ALA 65 Cb -0.05 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.60 1buj s ALA 65 CO -0.13 -0.25 0.00 0.45 0.00 0.00 0.00 175.76 175.83 1buj n SER 66 N 2.21 0.00 0.00 0.00 2.88 -1.26 -3.39 113.62 114.06 1buj n SER 66 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1buj n SER 66 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 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 0.00 -1.03 3.70 0.46 0.00 -1.26 -5.14 105.19 101.92 1buj n GLY 67 Ca 0.00 0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 4.38 0.20 1.61 3.52 -1.22 -5.02 118.95 122.43 1buj s ARG 68 Ca 0.00 1.75 0.05 0.00 -0.13 0.00 0.00 55.73 57.41 1buj s ARG 68 Cb 0.00 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.89 1buj s ARG 68 CO 0.00 -0.38 0.22 0.99 -0.81 0.00 0.00 175.30 175.32 1buj s THR 69 N 1.73 4.74 0.02 4.11 2.01 -1.26 -4.87 115.64 122.12 1buj s THR 69 Ca 0.58 -1.11 0.01 0.00 0.31 0.00 0.00 61.69 61.48 1buj s THR 69 Cb -0.28 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1buj s THR 69 CO 0.26 -0.23 -0.05 0.26 -0.69 0.00 0.00 174.62 174.17 1buj s TRP 70 N -1.92 0.43 0.04 4.92 0.52 -1.26 -1.25 118.94 120.42 1buj s TRP 70 Ca 0.33 -0.31 0.03 0.00 0.02 0.00 0.00 56.10 56.16 1buj s TRP 70 Cb -0.09 -0.27 -0.02 0.00 -1.15 0.00 0.00 33.47 31.93 1buj s TRP 70 CO 0.26 -0.07 -0.09 1.03 0.02 0.00 0.00 176.95 178.10 1buj s ARG 71 N -0.90 0.57 0.34 4.98 0.52 -0.53 -2.41 118.95 121.51 1buj s ARG 71 Ca -0.06 -0.72 0.08 0.00 -0.52 0.00 0.00 55.73 54.52 1buj s ARG 71 Cb -0.06 -0.40 -0.05 0.00 0.52 0.00 0.00 34.95 34.96 1buj s ARG 71 CO -0.00 0.08 0.11 -1.83 0.02 0.00 0.00 175.30 173.68 1buj s GLU 72 N -1.41 2.29 -0.02 3.54 -1.05 -0.10 -1.38 118.70 120.57 1buj s GLU 72 Ca -0.07 -1.61 -0.27 0.00 -0.15 0.00 0.00 54.97 52.87 1buj s GLU 72 Cb -0.09 -2.10 0.06 0.00 -0.44 0.00 0.00 34.13 31.56 1buj s GLU 72 CO 0.01 0.12 0.60 0.00 0.95 0.00 0.00 175.26 176.93 1buj s ALA 73 N -2.45 -1.55 0.53 -0.84 0.00 -0.17 -2.14 121.76 115.15 1buj s ALA 73 Ca 0.37 1.02 -0.18 0.00 0.00 0.00 0.00 51.96 53.17 1buj s ALA 73 Cb -0.02 0.11 -0.06 0.00 0.00 0.00 0.00 23.12 23.15 1buj s ALA 73 CO 0.22 -0.39 1.06 -0.51 0.00 0.00 0.00 175.76 176.13 1buj s ASP 74 N -1.40 6.05 -0.09 0.00 1.01 -0.72 -1.20 116.67 120.32 1buj s ASP 74 Ca -0.10 1.92 0.03 0.00 0.71 0.00 0.00 52.55 55.11 1buj s ASP 74 Cb -0.01 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.38 1buj s ASP 74 CO 0.06 -0.99 -0.17 -0.63 0.21 0.00 0.00 175.17 173.66 1buj s ILE 75 N -2.13 1.55 -0.33 0.77 -1.09 -0.68 -4.73 121.20 114.56 1buj s ILE 75 Ca 0.67 -0.71 -0.14 0.00 -2.23 0.00 0.00 60.65 58.24 1buj s ILE 75 Cb -0.17 -1.38 0.02 0.00 -1.58 0.00 0.00 42.46 39.35 1buj s ILE 75 CO 0.27 0.45 0.35 0.59 -1.23 0.00 0.00 174.94 175.37 1buj n ASN 76 N 3.81 -7.27 -3.27 3.58 3.02 -0.96 -4.56 115.26 109.61 1buj n ASN 76 Ca -0.21 0.63 -0.06 0.00 -0.03 0.00 0.00 54.58 54.91 1buj n ASN 76 Cb 0.52 -4.02 -0.04 0.00 -0.61 0.00 0.00 39.78 35.63 1buj n ASN 76 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1buj s TYR 77 N -1.84 -1.17 -0.12 3.10 5.04 -1.26 -4.87 117.35 116.23 1buj s TYR 77 Ca 0.17 0.20 -0.10 0.00 -2.44 0.00 0.00 57.07 54.90 1buj s TYR 77 Cb -0.03 -0.02 -0.05 0.00 0.35 0.00 0.00 41.96 42.20 1buj s TYR 77 CO 0.67 -1.04 -0.21 0.28 -1.34 0.00 0.00 175.55 173.91 1buj n VAL 78 N 4.93 1.16 -3.99 3.14 0.31 -1.26 -4.71 118.33 117.92 1buj n VAL 78 Ca 0.06 0.01 -0.08 0.00 -0.01 0.00 0.00 64.34 64.32 1buj n VAL 78 Cb 0.51 -1.89 -0.10 0.00 -0.91 0.00 0.00 33.84 31.45 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 -6.22 0.30 0.00 4.52 1.04 -1.26 -3.15 113.70 108.92 1buj s SER 79 Ca -0.20 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.52 1buj s SER 79 Cb 0.06 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1buj s SER 79 CO 0.28 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1buj n GLY 80 N 0.60 0.21 3.92 7.32 0.00 -1.26 -5.04 105.19 110.94 1buj n GLY 80 Ca -0.18 -1.96 -0.28 0.00 0.00 0.00 0.00 46.02 43.60 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 0.00 2.82 0.82 1.61 0.08 -1.26 -4.38 117.98 117.67 1buj s PHE 81 Ca 0.00 0.58 -0.12 0.00 0.12 0.00 0.00 56.93 57.50 1buj s PHE 81 Cb 0.00 -3.41 0.09 0.00 -0.57 0.00 0.00 43.02 39.13 1buj s PHE 81 CO 0.00 -1.69 1.17 1.03 -0.10 0.00 0.00 175.22 175.63 1buj s ARG 82 N -5.46 1.65 0.51 0.44 0.52 -1.26 -4.89 118.95 110.46 1buj s ARG 82 Ca 0.62 1.60 -0.22 0.00 -0.52 0.00 0.00 55.73 57.22 1buj s ARG 82 Cb -0.10 -1.79 -0.07 0.00 0.52 0.00 0.00 34.95 33.50 1buj s ARG 82 CO 0.47 -2.17 1.08 0.27 0.02 0.00 0.00 175.30 174.96 1buj n ASN 83 N -3.49 1.44 0.00 0.23 0.23 -1.26 -4.87 115.26 107.54 1buj n ASN 83 Ca 0.12 0.94 0.00 0.00 -0.53 0.00 0.00 54.58 55.12 1buj n ASN 83 Cb 0.51 -1.42 0.00 0.00 -2.08 0.00 0.00 39.78 36.79 1buj n ASN 83 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1buj n ALA 84 N -1.02 2.01 -1.68 -2.53 0.00 -1.26 -5.03 120.51 111.00 1buj n ALA 84 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 1buj n ALA 84 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 1buj n ALA 84 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1buj n ASP 85 N -2.45 4.04 -3.85 0.00 9.92 -1.26 -3.59 116.55 119.36 1buj n ASP 85 Ca 0.00 0.95 -0.10 0.00 -0.53 0.00 0.00 54.79 55.12 1buj n ASP 85 Cb 0.00 -1.52 -0.06 0.00 -0.64 0.00 0.00 41.12 38.90 1buj n ASP 85 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1buj s ARG 86 N 3.52 1.15 -0.02 -1.24 0.52 -0.66 -1.68 118.95 120.53 1buj s ARG 86 Ca 0.86 -1.00 -0.00 0.00 -0.52 0.00 0.00 55.73 55.06 1buj s ARG 86 Cb -0.48 0.42 0.02 0.00 0.52 0.00 0.00 34.95 35.43 1buj s ARG 86 CO 0.40 -0.43 0.03 -1.17 0.02 0.00 0.00 175.30 174.15 1buj s LEU 87 N -2.91 1.23 -0.07 2.53 0.20 -0.34 -1.25 118.68 118.07 1buj s LEU 87 Ca 0.11 0.05 0.03 0.00 0.69 0.00 0.00 54.13 55.02 1buj s LEU 87 Cb 0.02 -0.02 0.00 0.00 -0.43 0.00 0.00 46.19 45.77 1buj s LEU 87 CO -0.04 -0.10 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.04 1buj s VAL 88 N 0.86 1.58 0.07 1.68 1.01 -0.07 -1.00 120.40 124.53 1buj s VAL 88 Ca -0.07 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.21 1buj s VAL 88 Cb -0.10 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1buj s VAL 88 CO -0.03 0.45 -0.15 -0.72 0.00 0.00 0.00 175.10 174.66 1buj s TYR 89 N 0.39 1.25 0.65 5.22 1.13 -0.48 -1.04 117.35 124.47 1buj s TYR 89 Ca -0.14 -0.45 -0.02 0.00 -1.41 0.00 0.00 57.07 55.05 1buj s TYR 89 Cb -0.16 -0.71 0.07 0.00 -1.10 0.00 0.00 41.96 40.06 1buj s TYR 89 CO 0.05 0.07 0.92 -1.54 -2.51 0.00 0.00 175.55 172.54 1buj s SER 90 N -1.73 4.86 0.24 -0.18 1.04 -0.92 -1.45 113.70 115.56 1buj s SER 90 Ca -0.01 0.08 -0.07 0.00 0.48 0.00 0.00 55.95 56.43 1buj s SER 90 Cb -0.10 -0.76 0.28 0.00 0.10 0.00 0.00 66.02 65.54 1buj s SER 90 CO 0.02 -1.49 1.87 0.28 0.98 0.00 0.00 173.24 174.90 1buj h SER 91 N -0.33 0.90 -0.49 7.02 0.02 -1.54 -1.27 113.55 117.86 1buj h SER 91 Ca -0.42 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1buj h SER 91 Cb 1.30 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1buj h SER 91 CO 0.52 0.61 0.00 -0.90 -1.14 0.00 0.00 176.83 175.92 1buj n ASP 92 N -4.57 3.28 -2.20 3.07 5.68 -1.26 -4.92 116.55 115.63 1buj n ASP 92 Ca 0.11 -2.20 -0.07 0.00 -0.50 0.00 0.00 54.79 52.14 1buj n ASP 92 Cb 0.11 -0.44 0.03 0.00 -1.14 0.00 0.00 41.12 39.69 1buj n ASP 92 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1buj n TRP 93 N 0.86 -1.04 -4.00 2.11 7.02 -0.48 -5.03 117.44 116.89 1buj n TRP 93 Ca 0.18 0.38 -0.35 0.00 -1.02 0.00 0.00 57.50 56.69 1buj n TRP 93 Cb 0.59 -3.25 -0.13 0.00 -2.42 0.00 0.00 31.31 26.10 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 -4.00 3.21 -0.11 -0.99 1.43 -1.26 -4.88 118.68 112.08 1buj s LEU 94 Ca 0.14 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1buj s LEU 94 Cb -0.02 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 1buj s LEU 94 CO 0.32 0.03 -0.07 -0.63 0.23 0.00 0.00 176.35 176.23 1buj s ILE 95 N 1.18 3.64 0.00 -0.59 1.01 -1.26 -2.18 121.20 123.01 1buj s ILE 95 Ca 0.03 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.22 1buj s ILE 95 Cb -0.14 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.79 1buj s ILE 95 CO 0.01 0.55 -0.05 -0.31 0.00 0.00 0.00 174.94 175.14 1buj s TYR 96 N -0.19 0.46 0.33 3.97 1.51 -0.20 -1.74 117.35 121.49 1buj s TYR 96 Ca 0.02 -0.14 0.08 0.00 -1.01 0.00 0.00 57.07 56.02 1buj s TYR 96 Cb -0.13 -0.29 -0.03 0.00 -0.11 0.00 0.00 41.96 41.39 1buj s TYR 96 CO 0.03 -0.02 0.24 -1.59 -1.11 0.00 0.00 175.55 173.10 1buj s LYS 97 N -0.30 2.64 -0.02 -0.62 0.00 -0.17 -0.89 119.74 120.38 1buj s LYS 97 Ca 0.00 -1.34 -0.22 0.00 0.00 0.00 0.00 55.97 54.42 1buj s LYS 97 Cb -0.03 -2.40 0.04 0.00 0.00 0.00 0.00 37.83 35.44 1buj s LYS 97 CO -0.00 0.13 0.47 -0.08 0.00 0.00 0.00 175.35 175.86 1buj s THR 98 N -2.32 0.03 -0.45 3.79 -1.32 -0.38 -2.16 115.64 112.83 1buj s THR 98 Ca 0.39 -0.29 0.05 0.00 -1.21 0.00 0.00 61.69 60.63 1buj s THR 98 Cb -0.05 -0.81 0.01 0.00 -1.51 0.00 0.00 72.50 70.13 1buj s THR 98 CO 0.25 -0.16 0.48 0.35 -2.21 0.00 0.00 174.62 173.34 1buj n THR 99 N 1.01 0.00 -0.19 5.08 -2.24 -1.26 -1.66 114.28 115.01 1buj n THR 99 Ca -0.20 -0.47 0.03 0.00 -2.27 0.00 0.00 64.05 61.15 1buj n THR 99 Cb 0.57 1.06 0.09 0.00 -2.10 0.00 0.00 70.33 69.95 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 -0.22 2.52 -3.16 3.42 5.68 -1.26 -4.35 116.55 119.18 1buj n ASP 100 Ca 0.02 -2.12 -0.05 0.00 -0.50 0.00 0.00 54.79 52.14 1buj n ASP 100 Cb 0.10 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 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 -0.13 -2.89 -3.70 2.11 -0.00 -1.24 -3.69 115.22 105.68 1buj n HIS 101 Ca 0.07 1.12 -0.24 0.00 -0.00 0.00 0.00 57.72 58.67 1buj n HIS 101 Cb 0.38 -3.88 0.05 0.00 -0.00 0.00 0.00 29.99 26.55 1buj n HIS 101 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1buj n TYR 102 N -1.74 -2.37 -0.11 1.57 4.01 -1.26 -4.87 117.16 112.40 1buj n TYR 102 Ca -0.04 0.93 -0.18 0.00 -0.16 0.00 0.00 57.90 58.45 1buj n TYR 102 Cb 0.53 -4.55 -0.06 0.00 -0.31 0.00 0.00 39.34 34.95 1buj n TYR 102 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1buj n ALA 103 N -4.60 1.05 -2.70 -0.72 0.00 -1.24 -5.04 120.51 107.25 1buj n ALA 103 Ca -0.10 -0.93 -0.18 0.00 0.00 0.00 0.00 53.44 52.23 1buj n ALA 103 Cb 0.59 0.08 -0.14 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 -2.73 0.71 0.29 0.00 -4.23 -1.26 -5.09 115.64 103.33 1buj s THR 104 Ca -0.33 -0.51 0.09 0.00 -1.18 0.00 0.00 61.69 59.76 1buj s THR 104 Cb 0.09 -0.62 -0.04 0.00 1.34 0.00 0.00 72.50 73.27 1buj s THR 104 CO 0.45 0.11 0.09 -0.36 -0.54 0.00 0.00 174.62 174.37 1buj s PHE 105 N -0.39 2.77 -0.03 3.99 0.08 -1.26 -4.68 117.98 118.46 1buj s PHE 105 Ca 0.02 -0.27 -0.01 0.00 0.12 0.00 0.00 56.93 56.79 1buj s PHE 105 Cb -0.04 -1.40 0.03 0.00 -0.57 0.00 0.00 43.02 41.03 1buj s PHE 105 CO -0.00 0.49 0.05 0.99 -0.10 0.00 0.00 175.22 176.65 1buj s THR 106 N -2.33 -0.05 0.33 0.64 2.01 -0.92 -4.97 115.64 110.35 1buj s THR 106 Ca 0.34 0.17 -0.28 0.00 0.31 0.00 0.00 61.69 62.23 1buj s THR 106 Cb -0.05 -0.10 -0.10 0.00 0.01 0.00 0.00 72.50 72.26 1buj s THR 106 CO 0.22 0.07 1.20 0.00 -0.69 0.00 0.00 174.62 175.42 1buj s ARG 107 N 0.88 4.37 -0.00 4.92 1.70 -1.26 -1.00 118.95 128.56 1buj s ARG 107 Ca -0.07 1.98 0.00 0.00 -0.47 0.00 0.00 55.73 57.17 1buj s ARG 107 Cb -0.10 -3.00 -0.00 0.00 -0.57 0.00 0.00 34.95 31.27 1buj s ARG 107 CO -0.03 -0.09 -0.00 0.44 -1.08 0.00 0.00 175.30 174.54 1buj n ILE 108 N 0.73 0.02 0.00 4.99 -6.64 -0.71 -4.90 119.36 112.85 1buj n ILE 108 Ca 0.01 -0.01 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 1buj n ILE 108 Cb 0.44 -0.57 0.00 0.00 -1.44 0.00 0.00 39.64 38.07 1buj n ILE 108 CO 0.00 0.00 0.00 -2.11 -1.77 0.00 0.00 176.55 172.67