#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 0.58 -0.21 0.00 -7.23 -1.26 -5.13 120.40 107.15 1buj s VAL 2 Ca 0.00 -1.92 -0.20 0.00 -1.81 0.00 0.00 61.98 58.04 1buj s VAL 2 Cb 0.00 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 35.14 1buj s VAL 2 CO 0.00 -0.78 0.61 -0.63 -0.31 0.00 0.00 175.10 173.98 1buj s ILE 3 N -3.71 5.03 -0.34 -0.62 1.01 -1.26 -4.89 121.20 116.42 1buj s ILE 3 Ca 0.14 1.12 0.13 0.00 0.00 0.00 0.00 60.65 62.05 1buj s ILE 3 Cb 0.06 -3.92 0.41 0.00 0.01 0.00 0.00 42.46 39.02 1buj s ILE 3 CO -0.03 0.10 1.52 -0.46 0.00 0.00 0.00 174.94 176.07 1buj n ASN 4 N 5.17 -1.37 -4.58 3.58 6.94 -1.26 -4.82 115.26 118.92 1buj n ASN 4 Ca -0.02 -2.23 -0.27 0.00 -0.02 0.00 0.00 54.58 52.05 1buj n ASN 4 Cb 0.50 0.66 -0.11 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 -0.02 2.07 0.07 5.53 -4.23 -1.26 -0.56 115.64 117.24 1buj s THR 5 Ca 0.10 -2.08 -0.22 0.00 -1.18 0.00 0.00 61.69 58.31 1buj s THR 5 Cb 0.44 -2.85 -0.14 0.00 1.34 0.00 0.00 72.50 71.29 1buj s THR 5 CO -0.12 -0.08 1.60 -0.26 -0.54 0.00 0.00 174.62 175.21 1buj h PHE 6 N 1.88 0.11 -0.07 3.99 0.04 -1.97 -0.23 116.94 120.69 1buj h PHE 6 Ca -0.43 -0.01 -0.20 0.00 2.80 0.00 0.00 57.97 60.13 1buj h PHE 6 Cb 1.24 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 39.36 1buj h PHE 6 CO 0.74 0.23 -0.78 -0.44 -0.60 0.00 0.00 178.31 177.46 1buj h ASP 7 N -0.04 0.53 0.10 2.17 3.32 -1.98 -2.77 116.42 117.75 1buj h ASP 7 Ca 0.02 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 1buj h ASP 7 Cb 0.17 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1buj h ASP 7 CO -0.00 1.12 -0.05 1.23 -1.72 0.00 0.00 179.24 179.82 1buj h GLY 8 N 1.21 -0.15 1.08 2.75 0.00 -1.92 -1.32 103.07 104.72 1buj h GLY 8 Ca -0.04 0.05 -0.11 0.00 0.00 0.00 0.00 47.33 47.23 1buj h GLY 8 CO 0.14 -0.05 -0.12 -2.08 0.00 0.00 0.00 176.54 174.43 1buj h VAL 9 N -0.48 1.27 -0.75 4.60 2.07 -1.16 -1.16 116.25 120.64 1buj h VAL 9 Ca -0.01 -1.27 0.11 0.00 0.82 0.00 0.00 66.70 66.35 1buj h VAL 9 Cb 0.39 1.03 -0.08 0.00 -1.52 0.00 0.00 31.29 31.11 1buj h VAL 9 CO 0.02 0.44 0.37 0.00 0.02 0.00 0.00 177.57 178.43 1buj h ALA 10 N 0.91 1.06 -0.41 1.67 0.00 -1.41 -0.12 119.26 120.95 1buj h ALA 10 Ca 0.13 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1buj h ALA 10 Cb 0.68 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1buj h ALA 10 CO 0.05 -0.06 -0.14 -0.44 0.00 0.00 0.00 179.25 178.66 1buj h ASP 11 N 0.61 0.84 0.12 0.00 5.19 -0.84 -3.15 116.42 119.18 1buj h ASP 11 Ca 0.38 -0.38 -0.07 0.00 -0.62 0.00 0.00 57.03 56.34 1buj h ASP 11 Cb 0.44 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 1buj h ASP 11 CO -0.30 1.03 -0.24 0.22 -3.12 0.00 0.00 179.24 176.83 1buj h TYR 12 N 0.64 0.23 0.48 4.55 5.03 0.09 -0.82 116.97 127.18 1buj h TYR 12 Ca 0.10 -0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.36 1buj h TYR 12 Cb 0.69 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.89 1buj h TYR 12 CO 0.05 0.45 -0.42 -0.07 -1.32 0.00 0.00 178.16 176.85 1buj h LEU 13 N 0.20 -1.12 -1.10 2.82 3.38 -1.04 -1.07 115.31 117.37 1buj h LEU 13 Ca 0.03 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1buj h LEU 13 Cb 0.54 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 1buj h LEU 13 CO 0.04 -0.59 0.25 0.40 0.09 0.00 0.00 178.44 178.63 1buj h ILE 14 N -0.90 1.22 0.36 1.22 5.03 -1.44 0.39 117.51 123.39 1buj h ILE 14 Ca -0.05 -0.66 -0.02 0.00 -0.12 0.00 0.00 64.86 64.01 1buj h ILE 14 Cb 0.78 0.47 0.00 0.00 -3.03 0.00 0.00 36.82 35.04 1buj h ILE 14 CO -0.03 0.27 -0.18 -0.09 -0.68 0.00 0.00 178.15 177.44 1buj h ARG 15 N 0.88 -0.47 -0.00 2.37 2.43 -0.96 -3.33 114.38 115.30 1buj h ARG 15 Ca 0.21 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1buj h ARG 15 Cb 0.16 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1buj h ARG 15 CO -0.02 -0.31 -0.46 0.66 -1.51 0.00 0.00 179.97 178.32 1buj n TYR 16 N -3.90 0.00 -2.49 2.20 4.01 -0.42 -4.92 117.16 111.64 1buj n TYR 16 Ca -0.06 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.56 1buj n TYR 16 Cb 0.19 -0.17 0.01 0.00 -0.31 0.00 0.00 39.34 39.07 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 -1.12 -1.94 -3.76 -0.72 4.81 0.13 -4.99 118.16 110.58 1buj n LYS 17 Ca 0.08 0.50 -0.02 0.00 -0.87 0.00 0.00 58.31 58.00 1buj n LYS 17 Cb 0.35 -4.52 -0.00 0.00 0.02 0.00 0.00 35.03 30.87 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 -4.92 0.96 0.98 1.64 1.70 -1.12 -5.03 118.95 113.16 1buj s ARG 18 Ca 0.10 -0.56 -0.12 0.00 -0.47 0.00 0.00 55.73 54.69 1buj s ARG 18 Cb -0.04 0.31 0.18 0.00 -0.57 0.00 0.00 34.95 34.82 1buj s ARG 18 CO 0.12 -0.44 1.08 -0.51 -1.08 0.00 0.00 175.30 174.48 1buj s LEU 19 N -3.11 1.93 0.78 -1.89 1.43 -1.26 -3.59 118.68 112.98 1buj s LEU 19 Ca 0.16 1.61 -0.11 0.00 -1.03 0.00 0.00 54.13 54.75 1buj s LEU 19 Cb 0.00 -3.87 0.06 0.00 0.03 0.00 0.00 46.19 42.42 1buj s LEU 19 CO 0.01 -3.19 1.09 -2.16 0.23 0.00 0.00 176.35 172.33 1buj s PRO 20 N -4.75 2.19 0.00 1.29 0.04 -1.26 -4.97 135.00 127.54 1buj s PRO 20 Ca 0.65 0.68 0.20 0.00 0.04 0.00 0.00 61.00 62.58 1buj s PRO 20 Cb -0.21 -1.93 0.70 0.00 0.04 0.00 0.00 34.50 33.10 1buj s PRO 20 CO 0.59 -1.56 1.52 -3.47 0.04 0.00 0.00 177.00 174.12 1buj n ASP 21 N -3.40 1.82 -0.00 6.66 2.03 -1.26 -3.18 116.55 119.22 1buj n ASP 21 Ca 0.07 -1.75 0.14 0.00 0.52 0.00 0.00 54.79 53.78 1buj n ASP 21 Cb 0.56 -0.12 0.70 0.00 -0.72 0.00 0.00 41.12 41.53 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 0.43 0.02 -4.55 1.67 6.94 -1.26 -4.66 115.26 113.84 1buj n ASN 22 Ca 0.16 0.09 -0.34 0.00 -0.02 0.00 0.00 54.58 54.46 1buj n ASN 22 Cb 0.35 -0.36 -0.11 0.00 -2.36 0.00 0.00 39.78 37.30 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 -2.73 3.13 0.40 -2.53 2.02 -1.19 -2.30 117.35 114.13 1buj s TYR 23 Ca 0.23 -0.16 0.08 0.00 -0.37 0.00 0.00 57.07 56.84 1buj s TYR 23 Cb 0.20 -2.05 -0.01 0.00 -0.40 0.00 0.00 41.96 39.70 1buj s TYR 23 CO 0.49 0.00 0.41 0.96 -1.57 0.00 0.00 175.55 175.84 1buj s ILE 24 N 0.54 3.02 0.59 2.71 -4.36 0.00 -4.72 121.20 118.97 1buj s ILE 24 Ca 0.00 -1.24 -0.08 0.00 -0.26 0.00 0.00 60.65 59.07 1buj s ILE 24 Cb -0.14 -3.07 -0.02 0.00 1.25 0.00 0.00 42.46 40.49 1buj s ILE 24 CO 0.02 -0.05 0.94 0.42 0.24 0.00 0.00 174.94 176.51 1buj s THR 25 N -2.39 4.28 0.31 8.37 -4.23 -1.25 -0.50 115.64 120.23 1buj s THR 25 Ca 0.48 0.39 0.03 0.00 -1.18 0.00 0.00 61.69 61.41 1buj s THR 25 Cb -0.06 -3.69 0.29 0.00 1.34 0.00 0.00 72.50 70.38 1buj s THR 25 CO 0.29 -0.80 1.87 0.11 -0.54 0.00 0.00 174.62 175.55 1buj h LYS 26 N -0.19 0.90 -0.89 3.99 1.57 -1.96 -1.58 116.57 118.42 1buj h LYS 26 Ca -0.45 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.28 1buj h LYS 26 Cb 1.22 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.28 1buj h LYS 26 CO 0.62 0.60 0.59 0.77 -0.57 0.00 0.00 179.45 181.45 1buj h SER 27 N 0.93 1.01 -0.06 0.86 0.02 -1.99 -0.10 113.55 114.22 1buj h SER 27 Ca 0.45 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.29 1buj h SER 27 Cb 0.46 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1buj h SER 27 CO -0.21 0.73 -0.30 1.56 -1.14 0.00 0.00 176.83 177.46 1buj h GLN 28 N 1.19 0.31 -0.62 3.45 1.08 -1.68 -1.01 115.11 117.84 1buj h GLN 28 Ca 0.33 -0.25 0.11 0.00 -1.45 0.00 0.00 58.65 57.39 1buj h GLN 28 Cb -0.12 0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 27.28 1buj h GLN 28 CO -0.07 0.90 0.17 0.00 -0.95 0.00 0.00 178.83 178.88 1buj h ALA 29 N 0.41 0.77 -0.75 3.87 0.00 -1.21 -0.90 119.26 121.44 1buj h ALA 29 Ca -0.02 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1buj h ALA 29 Cb 0.96 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1buj h ALA 29 CO 0.06 -0.27 0.24 0.77 0.00 0.00 0.00 179.25 180.06 1buj h SER 30 N 0.32 1.09 -0.55 0.00 0.02 -0.79 -0.34 113.55 113.30 1buj h SER 30 Ca 0.32 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1buj h SER 30 Cb 0.46 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1buj h SER 30 CO -0.38 1.00 0.21 0.00 -1.14 0.00 0.00 176.83 176.53 1buj h ALA 31 N 1.14 1.27 0.00 3.77 0.00 -0.55 -0.50 119.26 124.39 1buj h ALA 31 Ca 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1buj h ALA 31 Cb 0.30 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1buj h ALA 31 CO -0.01 0.53 0.00 -0.07 0.00 0.00 0.00 179.25 179.70 1buj h LEU 32 N 0.85 0.00 0.00 0.00 3.38 0.06 -3.46 115.31 116.15 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 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1buj h LEU 32 CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13 1buj n GLY 33 N 0.48 1.26 3.76 0.83 0.00 -0.20 -4.86 105.19 106.46 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 1.87 0.00 0.00 0.00 173.32 175.19 1buj n TRP 34 N -0.51 2.69 -4.61 1.61 -0.00 -0.29 -4.96 117.44 111.36 1buj n TRP 34 Ca 0.00 0.44 -0.24 0.00 -0.00 0.00 0.00 57.50 57.70 1buj n TRP 34 Cb 0.00 -2.46 -0.16 0.00 -0.00 0.00 0.00 31.31 28.69 1buj n TRP 34 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 1buj s VAL 35 N -1.20 1.13 0.09 5.87 1.01 -1.26 -4.34 120.40 121.71 1buj s VAL 35 Ca 0.62 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 1buj s VAL 35 Cb -0.45 -1.00 -0.21 0.00 0.00 0.00 0.00 36.38 34.72 1buj s VAL 35 CO 0.57 0.34 1.23 0.00 0.00 0.00 0.00 175.10 177.25 1buj h ALA 36 N 6.57 0.21 -0.64 5.51 0.00 -1.96 -3.21 119.26 125.74 1buj h ALA 36 Ca -0.32 -0.69 0.04 0.00 0.00 0.00 0.00 54.91 53.93 1buj h ALA 36 Cb 1.18 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1buj h ALA 36 CO 0.48 0.72 0.38 0.77 0.00 0.00 0.00 179.25 181.61 1buj h SER 37 N 0.36 0.61 -3.64 0.00 0.02 -2.04 -3.43 113.55 105.43 1buj h SER 37 Ca -0.11 0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 60.67 1buj h SER 37 Cb 1.64 -0.12 -0.28 0.00 0.14 0.00 0.00 62.40 63.79 1buj h SER 37 CO 0.19 0.42 -0.48 -0.75 -1.14 0.00 0.00 176.83 175.07 1buj s LYS 38 N -6.12 0.23 0.00 3.45 2.20 -1.21 -5.09 119.74 113.20 1buj s LYS 38 Ca -0.13 0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 1buj s LYS 38 Cb 0.15 0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 1buj s LYS 38 CO 0.76 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 176.08 1buj n GLY 39 N 3.46 0.68 3.70 5.54 0.00 -1.26 -4.10 105.19 113.21 1buj n GLY 39 Ca -0.18 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 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 0.00 3.10 -0.01 1.61 4.22 -1.26 -4.49 114.94 118.11 1buj s ASN 40 Ca 0.00 1.32 -0.22 0.00 -2.14 0.00 0.00 52.86 51.81 1buj s ASN 40 Cb 0.00 -1.99 -0.13 0.00 1.28 0.00 0.00 41.25 40.41 1buj s ASN 40 CO 0.00 -2.85 0.96 0.25 -2.04 0.00 0.00 177.10 173.42 1buj h LEU 41 N -1.70 -0.55 -2.64 3.54 5.85 -1.90 -3.19 115.31 114.73 1buj h LEU 41 Ca -0.52 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.16 1buj h LEU 41 Cb 1.31 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.48 1buj h LEU 41 CO 0.56 -0.14 0.07 0.00 -0.34 0.00 0.00 178.44 178.59 1buj h ALA 42 N -0.91 1.29 -0.17 1.25 0.00 -1.91 0.24 119.26 119.05 1buj h ALA 42 Ca -0.07 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1buj h ALA 42 Cb 0.57 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1buj h ALA 42 CO 0.11 -0.08 -0.18 1.49 0.00 0.00 0.00 179.25 180.59 1buj h GLU 43 N 0.00 -0.20 0.01 0.00 4.81 -1.94 -3.08 114.58 114.17 1buj h GLU 43 Ca 0.01 0.01 -0.40 0.00 -0.13 0.00 0.00 59.36 58.85 1buj h GLU 43 Cb 0.15 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.51 1buj h GLU 43 CO -0.00 -0.13 -2.44 0.28 -0.73 0.00 0.00 179.01 175.99 1buj n VAL 44 N -5.33 1.52 -3.76 0.32 0.31 0.63 -4.72 118.33 107.30 1buj n VAL 44 Ca -0.02 -0.53 -0.29 0.00 -0.01 0.00 0.00 64.34 63.49 1buj n VAL 44 Cb 0.24 -1.55 -0.13 0.00 -0.91 0.00 0.00 33.84 31.49 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 -2.52 2.63 0.67 3.52 0.00 -0.02 -4.94 121.76 121.11 1buj s ALA 45 Ca -0.35 -2.97 -0.12 0.00 0.00 0.00 0.00 51.96 48.52 1buj s ALA 45 Cb 0.10 -1.96 -0.00 0.00 0.00 0.00 0.00 23.12 21.25 1buj s ALA 45 CO 0.59 -2.05 1.06 -1.25 0.00 0.00 0.00 175.76 174.10 1buj s PRO 46 N -0.18 3.04 0.00 0.00 0.04 -1.16 -4.08 135.00 132.65 1buj s PRO 46 Ca 0.21 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.25 1buj s PRO 46 Cb -0.17 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1buj s PRO 46 CO -0.06 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.38 1buj n GLY 47 N -1.79 0.59 3.36 0.56 0.00 -1.26 -4.99 105.19 101.66 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 -1.59 0.00 0.00 0.00 173.32 171.73 1buj s LYS 48 N -0.81 1.01 0.26 1.61 0.00 -1.26 -5.03 119.74 115.52 1buj s LYS 48 Ca 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 55.97 55.66 1buj s LYS 48 Cb 0.00 0.46 0.02 0.00 0.00 0.00 0.00 37.83 38.31 1buj s LYS 48 CO 0.00 -0.37 0.18 0.43 0.00 0.00 0.00 175.35 175.60 1buj n SER 49 N 0.34 1.89 -4.88 0.03 7.64 -0.97 -4.89 113.62 112.78 1buj n SER 49 Ca -0.18 -1.91 -0.30 0.00 1.01 0.00 0.00 58.87 57.48 1buj n SER 49 Cb 0.61 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.79 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 -1.33 4.75 0.00 0.44 -1.09 -1.26 -0.82 121.20 121.89 1buj s ILE 50 Ca 0.14 0.69 0.00 0.00 -2.23 0.00 0.00 60.65 59.25 1buj s ILE 50 Cb -0.01 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1buj s ILE 50 CO 0.09 -0.82 0.00 0.61 -1.23 0.00 0.00 174.94 173.59 1buj n GLY 51 N -2.01 1.03 1.39 6.18 0.00 0.35 -2.60 105.19 109.52 1buj n GLY 51 Ca 0.04 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.34 0.64 3.96 -0.02 0.00 -0.58 -3.95 105.19 104.91 1buj n GLY 52 Ca 0.00 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.08 6.31 0.31 1.61 1.11 -1.22 -4.91 116.67 117.80 1buj s ASP 53 Ca 0.00 0.09 -0.26 0.00 0.18 0.00 0.00 52.55 52.56 1buj s ASP 53 Cb 0.00 -1.86 -0.10 0.00 1.07 0.00 0.00 42.92 42.03 1buj s ASP 53 CO 0.00 -0.04 0.94 -0.69 1.18 0.00 0.00 175.17 176.56 1buj s VAL 54 N -1.92 4.20 0.08 -1.27 1.01 -1.26 -0.75 120.40 120.49 1buj s VAL 54 Ca 0.34 1.85 0.10 0.00 0.00 0.00 0.00 61.98 64.27 1buj s VAL 54 Cb -0.10 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 1buj s VAL 54 CO 0.29 0.20 -0.26 0.12 0.00 0.00 0.00 175.10 175.45 1buj s PHE 55 N -1.54 2.29 -0.77 5.22 2.19 -1.11 -4.73 117.98 119.53 1buj s PHE 55 Ca 0.48 -0.40 -0.26 0.00 0.33 0.00 0.00 56.93 57.08 1buj s PHE 55 Cb -0.20 -1.32 0.03 0.00 -1.31 0.00 0.00 43.02 40.23 1buj s PHE 55 CO 0.25 0.21 1.29 -1.54 1.83 0.00 0.00 175.22 177.26 1buj s SER 56 N -1.57 6.20 -0.05 6.13 1.04 -1.26 -4.66 113.70 119.53 1buj s SER 56 Ca 0.12 -0.59 -0.19 0.00 0.48 0.00 0.00 55.95 55.78 1buj s SER 56 Cb -0.10 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.41 1buj s SER 56 CO 0.04 -1.79 0.53 0.21 0.98 0.00 0.00 173.24 173.21 1buj s ASN 57 N 3.89 6.85 -0.12 7.02 2.47 -1.26 -4.98 114.94 128.80 1buj s ASN 57 Ca 0.36 1.01 0.15 0.00 0.42 0.00 0.00 52.86 54.80 1buj s ASN 57 Cb -0.07 -2.32 0.28 0.00 -1.45 0.00 0.00 41.25 37.68 1buj s ASN 57 CO 0.12 0.09 1.14 0.54 -3.72 0.00 0.00 177.10 175.27 1buj n ARG 58 N 2.99 1.10 -3.18 0.43 1.74 -1.26 -5.01 116.66 113.47 1buj n ARG 58 Ca -0.08 -2.45 -0.16 0.00 -0.77 0.00 0.00 57.85 54.40 1buj n ARG 58 Cb 0.51 -1.32 0.01 0.00 -1.02 0.00 0.00 32.46 30.65 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 -1.10 -1.92 0.00 5.56 4.07 -1.25 -4.83 120.64 121.16 1buj n GLU 59 Ca 0.14 1.64 0.00 0.00 -0.06 0.00 0.00 57.16 58.88 1buj n GLU 59 Cb 0.68 -4.42 0.00 0.00 -0.06 0.00 0.00 31.44 27.64 1buj n GLU 59 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1buj n GLY 60 N -0.80 -1.32 0.16 8.31 0.00 -1.26 -4.99 105.19 105.29 1buj n GLY 60 Ca -0.02 0.39 -0.05 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.31 -6.31 1.61 2.47 -2.00 -3.46 114.38 106.39 1buj h ARG 61 Ca 0.00 0.02 -0.59 0.00 -1.26 0.00 0.00 59.98 58.15 1buj h ARG 61 Cb 0.00 0.07 -0.10 0.00 -1.65 0.00 0.00 29.97 28.29 1buj h ARG 61 CO 0.00 -0.21 -0.64 -0.51 0.56 0.00 0.00 179.97 179.17 1buj s LEU 62 N -8.01 3.36 0.39 3.04 1.43 -1.26 -5.02 118.68 112.61 1buj s LEU 62 Ca -0.05 -0.39 -0.24 0.00 -1.03 0.00 0.00 54.13 52.42 1buj s LEU 62 Cb 0.00 -1.99 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 1buj s LEU 62 CO 0.14 0.07 1.06 -2.16 0.23 0.00 0.00 176.35 175.69 1buj s PRO 63 N -3.06 4.19 0.00 1.29 0.04 -1.26 -3.94 135.00 132.27 1buj s PRO 63 Ca 0.28 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1buj s PRO 63 Cb -0.09 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1buj s PRO 63 CO 0.19 -0.12 0.00 0.45 0.04 0.00 0.00 177.00 177.56 1buj n SER 64 N 0.02 0.37 -0.91 6.66 2.88 -1.26 -4.95 113.62 116.43 1buj n SER 64 Ca 0.05 -0.53 0.11 0.00 -1.33 0.00 0.00 58.87 57.17 1buj n SER 64 Cb 0.49 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.92 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 -3.00 -2.16 -2.54 -1.46 0.00 -1.26 -4.81 120.51 105.28 1buj n ALA 65 Ca 0.00 0.26 -0.20 0.00 0.00 0.00 0.00 53.44 53.51 1buj n ALA 65 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1buj n ALA 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1buj n SER 66 N -2.95 -5.59 -0.00 0.00 7.64 -1.26 -1.71 113.62 109.75 1buj n SER 66 Ca 0.01 -0.09 -0.00 0.00 1.01 0.00 0.00 58.87 59.79 1buj n SER 66 Cb 0.38 -4.57 -0.00 0.00 -1.01 0.00 0.00 64.21 59.01 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 -1.15 0.47 3.77 0.23 0.00 -1.26 -5.00 105.19 102.25 1buj n GLY 67 Ca -0.19 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.47 4.37 0.14 1.61 3.52 -0.69 -4.99 118.95 122.44 1buj s ARG 68 Ca 0.00 0.88 0.05 0.00 -0.13 0.00 0.00 55.73 56.52 1buj s ARG 68 Cb 0.00 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 30.04 1buj s ARG 68 CO 0.00 0.45 -0.11 0.99 -0.81 0.00 0.00 175.30 175.83 1buj s THR 69 N -0.55 1.15 -0.02 4.11 2.01 -1.26 -4.24 115.64 116.84 1buj s THR 69 Ca 0.33 -1.95 0.04 0.00 0.31 0.00 0.00 61.69 60.42 1buj s THR 69 Cb -0.20 -1.72 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 1buj s THR 69 CO 0.20 -0.67 -0.13 0.26 -0.69 0.00 0.00 174.62 173.59 1buj s TRP 70 N -3.03 1.16 0.08 4.92 0.52 -1.26 -0.56 118.94 120.78 1buj s TRP 70 Ca 0.14 -0.24 0.05 0.00 0.02 0.00 0.00 56.10 56.07 1buj s TRP 70 Cb 0.01 -0.76 -0.03 0.00 -1.15 0.00 0.00 33.47 31.53 1buj s TRP 70 CO 0.01 -0.04 -0.14 1.03 0.02 0.00 0.00 176.95 177.82 1buj s ARG 71 N -0.19 0.87 0.30 4.98 0.52 -0.83 -2.73 118.95 121.86 1buj s ARG 71 Ca 0.03 -1.03 0.07 0.00 -0.52 0.00 0.00 55.73 54.28 1buj s ARG 71 Cb -0.06 -0.85 -0.03 0.00 0.52 0.00 0.00 34.95 34.53 1buj s ARG 71 CO -0.00 0.18 0.29 -1.83 0.02 0.00 0.00 175.30 173.96 1buj s GLU 72 N -1.97 2.91 -0.07 3.54 -1.05 0.07 -1.65 118.70 120.48 1buj s GLU 72 Ca 0.01 -1.13 -0.28 0.00 -0.15 0.00 0.00 54.97 53.42 1buj s GLU 72 Cb -0.09 -2.59 0.06 0.00 -0.44 0.00 0.00 34.13 31.08 1buj s GLU 72 CO 0.02 0.23 0.63 0.00 0.95 0.00 0.00 175.26 177.10 1buj s ALA 73 N -2.20 -1.63 0.26 -0.84 0.00 -0.14 -1.53 121.76 115.67 1buj s ALA 73 Ca 0.38 1.26 -0.30 0.00 0.00 0.00 0.00 51.96 53.30 1buj s ALA 73 Cb -0.07 -0.11 -0.09 0.00 0.00 0.00 0.00 23.12 22.85 1buj s ALA 73 CO 0.27 -0.35 1.01 -0.51 0.00 0.00 0.00 175.76 176.18 1buj s ASP 74 N -1.04 7.46 -0.14 0.00 1.11 -1.07 -0.94 116.67 122.04 1buj s ASP 74 Ca -0.10 2.09 -0.04 0.00 0.18 0.00 0.00 52.55 54.68 1buj s ASP 74 Cb -0.01 -2.62 -0.03 0.00 1.07 0.00 0.00 42.92 41.33 1buj s ASP 74 CO 0.08 0.01 -0.02 -0.63 1.18 0.00 0.00 175.17 175.80 1buj s ILE 75 N -1.20 4.10 0.00 0.77 -1.09 -1.11 -4.85 121.20 117.83 1buj s ILE 75 Ca 0.43 -0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 1buj s ILE 75 Cb -0.28 -2.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.81 1buj s ILE 75 CO 0.36 0.51 0.00 0.59 -1.23 0.00 0.00 174.94 175.17 1buj n ASN 76 N 3.22 0.00 -2.71 3.58 5.03 0.28 -4.78 115.26 119.88 1buj n ASN 76 Ca -0.17 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.14 1buj n ASN 76 Cb 0.53 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 39.30 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 0.00 -0.93 -0.08 3.10 9.36 -1.26 -4.95 117.16 122.40 1buj n TYR 77 Ca 0.00 0.39 -0.14 0.00 3.32 0.00 0.00 57.90 61.47 1buj n TYR 77 Cb 0.00 -1.01 -0.07 0.00 -0.63 0.00 0.00 39.34 37.62 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 0.54 0.95 -1.43 2.97 0.31 -1.26 -4.96 118.33 115.45 1buj n VAL 78 Ca -0.03 -0.33 -0.31 0.00 -0.01 0.00 0.00 64.34 63.67 1buj n VAL 78 Cb 0.44 -1.29 0.08 0.00 -0.91 0.00 0.00 33.84 32.16 1buj n VAL 78 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1buj s SER 79 N -5.91 4.75 0.00 4.52 0.15 -1.26 -5.07 113.70 110.87 1buj s SER 79 Ca -0.23 1.62 0.00 0.00 0.70 0.00 0.00 55.95 58.04 1buj s SER 79 Cb 0.07 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 1buj s SER 79 CO 0.36 -1.85 0.00 0.61 1.20 0.00 0.00 173.24 173.56 1buj n GLY 80 N -1.66 0.71 2.93 9.45 0.00 -1.26 -5.00 105.19 110.35 1buj n GLY 80 Ca 0.08 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.61 -2.03 1.61 3.01 -1.26 -4.82 117.46 111.36 1buj n PHE 81 Ca 0.00 0.79 -0.28 0.00 1.01 0.00 0.00 57.45 58.97 1buj n PHE 81 Cb 0.00 -1.40 0.14 0.00 -0.01 0.00 0.00 39.48 38.21 1buj n PHE 81 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1buj s ARG 82 N -1.21 1.30 0.53 -1.08 1.81 -1.26 -4.21 118.95 114.84 1buj s ARG 82 Ca 0.00 -0.32 -0.20 0.00 -1.72 0.00 0.00 55.73 53.49 1buj s ARG 82 Cb 0.00 -1.97 -0.08 0.00 -0.45 0.00 0.00 34.95 32.45 1buj s ARG 82 CO 0.00 -1.94 0.77 0.27 -0.68 0.00 0.00 175.30 173.72 1buj n ASN 83 N -3.44 0.04 0.12 0.23 6.94 -1.26 -4.88 115.26 113.01 1buj n ASN 83 Ca 0.12 0.84 0.00 0.00 -0.02 0.00 0.00 54.58 55.52 1buj n ASN 83 Cb 0.60 -1.27 0.00 0.00 -2.36 0.00 0.00 39.78 36.75 1buj n ASN 83 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1buj n ALA 84 N -1.37 1.29 -2.63 -2.53 0.00 -1.26 -5.07 120.51 108.94 1buj n ALA 84 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.16 1buj n ALA 84 Cb 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 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 -2.88 6.54 0.16 0.00 1.11 -1.26 -3.66 116.67 116.68 1buj s ASP 85 Ca 0.00 0.66 0.09 0.00 0.18 0.00 0.00 52.55 53.47 1buj s ASP 85 Cb 0.00 -2.32 -0.04 0.00 1.07 0.00 0.00 42.92 41.63 1buj s ASP 85 CO 0.00 -0.31 -0.19 -0.13 1.18 0.00 0.00 175.17 175.71 1buj s ARG 86 N 2.29 1.28 -0.06 8.23 1.81 -0.06 -2.75 118.95 129.69 1buj s ARG 86 Ca 0.25 -1.38 0.03 0.00 -1.72 0.00 0.00 55.73 52.90 1buj s ARG 86 Cb -0.16 -1.39 0.01 0.00 -0.45 0.00 0.00 34.95 32.96 1buj s ARG 86 CO 0.09 0.29 -0.14 -1.17 -0.68 0.00 0.00 175.30 173.69 1buj s LEU 87 N -2.55 1.75 -0.12 2.53 0.20 -0.11 -1.71 118.68 118.67 1buj s LEU 87 Ca 0.15 -0.34 0.03 0.00 0.69 0.00 0.00 54.13 54.67 1buj s LEU 87 Cb -0.07 -0.91 0.00 0.00 -0.43 0.00 0.00 46.19 44.79 1buj s LEU 87 CO 0.07 0.07 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.28 1buj s VAL 88 N 0.50 2.08 0.03 1.68 1.01 -0.07 -0.97 120.40 124.66 1buj s VAL 88 Ca -0.13 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 60.90 1buj s VAL 88 Cb -0.15 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 1buj s VAL 88 CO 0.04 0.56 -0.14 -0.72 0.00 0.00 0.00 175.10 174.84 1buj s TYR 89 N 0.53 1.21 0.63 5.22 1.13 -0.66 -1.34 117.35 124.07 1buj s TYR 89 Ca -0.14 -0.33 -0.02 0.00 -1.41 0.00 0.00 57.07 55.17 1buj s TYR 89 Cb -0.17 -0.73 0.06 0.00 -1.10 0.00 0.00 41.96 40.02 1buj s TYR 89 CO 0.05 0.02 0.89 -1.54 -2.51 0.00 0.00 175.55 172.46 1buj s SER 90 N -0.99 4.97 0.20 -0.18 1.04 -0.64 -1.96 113.70 116.14 1buj s SER 90 Ca 0.02 0.09 -0.11 0.00 0.48 0.00 0.00 55.95 56.43 1buj s SER 90 Cb -0.07 -0.82 0.20 0.00 0.10 0.00 0.00 66.02 65.42 1buj s SER 90 CO 0.01 -1.41 1.79 0.28 0.98 0.00 0.00 173.24 174.89 1buj h SER 91 N -0.25 0.45 -0.78 7.02 0.02 -1.18 -2.03 113.55 116.80 1buj h SER 91 Ca -0.42 0.03 -0.26 0.00 -0.84 0.00 0.00 61.79 60.30 1buj h SER 91 Cb 1.30 -0.05 -0.15 0.00 0.14 0.00 0.00 62.40 63.63 1buj h SER 91 CO 0.53 0.30 0.33 -0.90 -1.14 0.00 0.00 176.83 175.94 1buj n ASP 92 N -4.84 4.75 -2.15 3.07 5.68 -1.26 -4.91 116.55 116.88 1buj n ASP 92 Ca 0.07 -3.28 -0.07 0.00 -0.50 0.00 0.00 54.79 51.01 1buj n ASP 92 Cb 0.16 -0.76 0.03 0.00 -1.14 0.00 0.00 41.12 39.42 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 -0.27 -1.01 -4.00 2.11 7.02 -0.76 -5.02 117.44 115.51 1buj n TRP 93 Ca 0.44 0.39 -0.35 0.00 -1.02 0.00 0.00 57.50 56.96 1buj n TRP 93 Cb 1.44 -3.28 -0.13 0.00 -2.42 0.00 0.00 31.31 26.92 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 -3.96 3.25 -0.11 -0.99 1.43 -1.26 -4.89 118.68 112.15 1buj s LEU 94 Ca 0.10 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1buj s LEU 94 Cb -0.01 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 1buj s LEU 94 CO 0.32 0.04 -0.14 -0.63 0.23 0.00 0.00 176.35 176.16 1buj s ILE 95 N 1.16 2.94 -0.04 -0.59 1.01 -1.26 -1.62 121.20 122.80 1buj s ILE 95 Ca 0.03 -0.71 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 1buj s ILE 95 Cb -0.14 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.13 1buj s ILE 95 CO 0.01 0.54 0.12 -0.31 0.00 0.00 0.00 174.94 175.30 1buj s TYR 96 N 0.16 -0.13 0.29 3.97 1.51 -0.45 -3.14 117.35 119.56 1buj s TYR 96 Ca -0.08 0.31 0.08 0.00 -1.01 0.00 0.00 57.07 56.37 1buj s TYR 96 Cb -0.15 0.04 -0.04 0.00 -0.11 0.00 0.00 41.96 41.70 1buj s TYR 96 CO 0.05 -0.07 0.18 -1.59 -1.11 0.00 0.00 175.55 173.01 1buj s LYS 97 N 0.02 2.69 -0.26 -0.62 0.00 -0.02 -0.89 119.74 120.66 1buj s LYS 97 Ca -0.00 -1.24 -0.14 0.00 0.00 0.00 0.00 55.97 54.58 1buj s LYS 97 Cb -0.01 -2.42 0.08 0.00 0.00 0.00 0.00 37.83 35.48 1buj s LYS 97 CO 0.00 0.28 0.62 -0.08 0.00 0.00 0.00 175.35 176.18 1buj s THR 98 N -2.25 -0.16 -1.81 3.79 -1.32 -0.70 -1.75 115.64 111.44 1buj s THR 98 Ca 0.35 0.02 0.24 0.00 -1.21 0.00 0.00 61.69 61.10 1buj s THR 98 Cb -0.06 -0.92 0.11 0.00 -1.51 0.00 0.00 72.50 70.12 1buj s THR 98 CO 0.24 0.01 1.32 0.35 -2.21 0.00 0.00 174.62 174.33 1buj n THR 99 N 4.50 0.00 -0.56 5.08 -2.24 -1.26 -0.88 114.28 118.92 1buj n THR 99 Ca -0.19 -0.17 0.06 0.00 -2.27 0.00 0.00 64.05 61.48 1buj n THR 99 Cb 0.57 0.80 0.14 0.00 -2.10 0.00 0.00 70.33 69.74 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 -0.45 2.84 -3.10 3.42 5.68 -1.26 -4.52 116.55 119.16 1buj n ASP 100 Ca 0.10 -2.53 -0.05 0.00 -0.50 0.00 0.00 54.79 51.81 1buj n ASP 100 Cb 0.40 -0.31 0.03 0.00 -1.14 0.00 0.00 41.12 40.10 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 -0.45 -2.74 -3.74 2.11 -0.00 -1.24 -3.48 115.22 105.67 1buj n HIS 101 Ca 0.13 1.02 -0.24 0.00 -0.00 0.00 0.00 57.72 58.62 1buj n HIS 101 Cb 0.56 -4.08 0.04 0.00 -0.00 0.00 0.00 29.99 26.51 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 -2.29 -2.16 -0.12 1.57 4.01 -1.26 -4.87 117.16 112.03 1buj n TYR 102 Ca -0.03 0.89 -0.23 0.00 -0.16 0.00 0.00 57.90 58.38 1buj n TYR 102 Cb 0.54 -4.37 -0.08 0.00 -0.31 0.00 0.00 39.34 35.13 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 -4.48 1.12 -2.40 -0.72 0.00 -1.23 -5.07 120.51 107.74 1buj n ALA 103 Ca -0.15 -1.00 -0.20 0.00 0.00 0.00 0.00 53.44 52.09 1buj n ALA 103 Cb 0.61 0.11 -0.10 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.63 0.73 0.05 0.00 -4.23 -1.26 -5.12 115.64 103.17 1buj s THR 104 Ca -0.35 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.17 1buj s THR 104 Cb 0.11 -2.62 -0.03 0.00 1.34 0.00 0.00 72.50 71.31 1buj s THR 104 CO 0.46 0.00 -0.05 -0.36 -0.54 0.00 0.00 174.62 174.13 1buj s PHE 105 N -3.48 0.55 -0.01 3.99 0.08 -1.26 -4.67 117.98 113.18 1buj s PHE 105 Ca 0.34 -0.67 0.00 0.00 0.12 0.00 0.00 56.93 56.72 1buj s PHE 105 Cb 0.07 -0.35 0.02 0.00 -0.57 0.00 0.00 43.02 42.18 1buj s PHE 105 CO 0.15 -0.18 0.01 0.99 -0.10 0.00 0.00 175.22 176.09 1buj s THR 106 N -2.21 0.00 0.52 0.64 2.01 -0.72 -4.98 115.64 110.91 1buj s THR 106 Ca -0.05 0.10 -0.22 0.00 0.31 0.00 0.00 61.69 61.83 1buj s THR 106 Cb -0.04 -0.08 -0.06 0.00 0.01 0.00 0.00 72.50 72.33 1buj s THR 106 CO -0.03 0.06 1.26 0.00 -0.69 0.00 0.00 174.62 175.22 1buj s ARG 107 N 0.57 3.35 -0.21 4.92 1.70 -1.26 -0.84 118.95 127.18 1buj s ARG 107 Ca -0.05 2.00 0.01 0.00 -0.47 0.00 0.00 55.73 57.22 1buj s ARG 107 Cb -0.07 -2.26 -0.13 0.00 -0.57 0.00 0.00 34.95 31.91 1buj s ARG 107 CO -0.02 -0.95 -0.18 0.44 -1.08 0.00 0.00 175.30 173.51 1buj n ILE 108 N -0.91 1.18 0.31 4.99 -6.64 -1.19 -4.83 119.36 112.27 1buj n ILE 108 Ca 0.10 -0.44 0.02 0.00 -1.77 0.00 0.00 62.75 60.66 1buj n ILE 108 Cb 0.47 -1.25 0.15 0.00 -1.44 0.00 0.00 39.64 37.57 1buj n ILE 108 CO 0.00 0.00 0.00 -2.11 -1.77 0.00 0.00 176.55 172.67