#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1buj s VAL 2 N 0.00 4.86 -0.11 0.00 1.01 -1.26 -5.02 120.40 119.89 1buj s VAL 2 Ca 0.00 2.00 -0.20 0.00 0.00 0.00 0.00 61.98 63.78 1buj s VAL 2 Cb 0.00 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1buj s VAL 2 CO 0.00 0.13 0.56 -0.63 0.00 0.00 0.00 175.10 175.16 1buj s ILE 3 N 1.23 5.13 -0.27 2.22 -1.09 -1.26 -4.91 121.20 122.26 1buj s ILE 3 Ca 0.50 1.13 0.11 0.00 -2.23 0.00 0.00 60.65 60.16 1buj s ILE 3 Cb -0.20 -3.90 0.33 0.00 -1.58 0.00 0.00 42.46 37.11 1buj s ILE 3 CO 0.25 0.29 1.42 -0.46 -1.23 0.00 0.00 174.94 175.21 1buj n ASN 4 N 3.81 -1.28 -4.75 3.58 6.94 -1.26 -4.87 115.26 117.43 1buj n ASN 4 Ca -0.05 -2.17 -0.26 0.00 -0.02 0.00 0.00 54.58 52.09 1buj n ASN 4 Cb 0.51 0.57 -0.07 0.00 -2.36 0.00 0.00 39.78 38.44 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 2.09 0.03 5.53 -4.23 -1.26 -1.45 115.64 116.35 1buj s THR 5 Ca 0.08 -1.73 -0.26 0.00 -1.18 0.00 0.00 61.69 58.59 1buj s THR 5 Cb 0.35 -2.82 -0.17 0.00 1.34 0.00 0.00 72.50 71.20 1buj s THR 5 CO -0.10 0.00 1.37 -0.26 -0.54 0.00 0.00 174.62 175.08 1buj h PHE 6 N 1.37 -0.44 0.00 3.99 0.04 -1.97 -0.53 116.94 119.40 1buj h PHE 6 Ca -0.42 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.27 1buj h PHE 6 Cb 1.26 0.15 -0.01 0.00 2.20 0.00 0.00 35.95 39.55 1buj h PHE 6 CO 0.77 -0.14 -0.33 -0.44 -0.60 0.00 0.00 178.31 177.57 1buj h ASP 7 N -0.71 0.00 0.16 2.17 5.19 -1.98 -2.50 116.42 118.74 1buj h ASP 7 Ca -0.05 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 1buj h ASP 7 Cb 0.49 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1buj h ASP 7 CO 0.08 0.33 -0.08 1.23 -3.12 0.00 0.00 179.24 177.68 1buj h GLY 8 N 3.31 -0.22 1.25 2.75 0.00 -1.95 -2.78 103.07 105.42 1buj h GLY 8 Ca -0.00 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1buj h GLY 8 CO 0.04 -0.08 0.33 -2.08 0.00 0.00 0.00 176.54 174.76 1buj h VAL 9 N -0.86 1.22 -0.98 4.60 2.07 -1.16 -1.53 116.25 119.60 1buj h VAL 9 Ca -0.02 -0.61 0.12 0.00 0.82 0.00 0.00 66.70 67.00 1buj h VAL 9 Cb 0.53 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 30.55 1buj h VAL 9 CO 0.04 0.26 0.61 0.00 0.02 0.00 0.00 177.57 178.50 1buj h ALA 10 N 1.40 1.47 -0.19 1.67 0.00 -1.48 -1.02 119.26 121.11 1buj h ALA 10 Ca 0.24 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 1buj h ALA 10 Cb 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1buj h ALA 10 CO -0.03 0.22 -0.54 -0.44 0.00 0.00 0.00 179.25 178.46 1buj h ASP 11 N 0.98 0.81 -0.99 0.00 5.19 -1.01 -2.84 116.42 118.56 1buj h ASP 11 Ca 0.48 -0.58 0.02 0.00 -0.62 0.00 0.00 57.03 56.33 1buj h ASP 11 Cb 0.46 -0.24 -0.05 0.00 0.18 0.00 0.00 39.33 39.68 1buj h ASP 11 CO -0.26 1.25 0.65 1.88 -3.12 0.00 0.00 179.24 179.64 1buj h TYR 12 N 0.41 1.23 0.42 4.55 -1.99 -0.71 0.12 116.97 121.00 1buj h TYR 12 Ca -0.01 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 1buj h TYR 12 Cb 1.16 -0.41 -0.02 0.00 2.00 0.00 0.00 36.73 39.46 1buj h TYR 12 CO 0.09 0.74 -0.40 -0.07 -0.00 0.00 0.00 178.16 178.53 1buj h LEU 13 N 1.30 -1.07 -0.61 3.88 3.38 -1.13 -0.09 115.31 120.97 1buj h LEU 13 Ca 0.38 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.52 1buj h LEU 13 Cb -0.08 0.35 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 1buj h LEU 13 CO -0.10 -0.55 0.27 0.40 0.09 0.00 0.00 178.44 178.54 1buj h ILE 14 N -0.83 0.83 0.21 1.22 1.08 -1.17 0.13 117.51 118.99 1buj h ILE 14 Ca -0.04 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 1buj h ILE 14 Cb 0.73 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 34.79 1buj h ILE 14 CO -0.05 0.09 -0.10 -0.09 -0.69 0.00 0.00 178.15 177.31 1buj h ARG 15 N 0.48 -0.27 0.00 2.37 2.43 -0.72 -3.35 114.38 115.32 1buj h ARG 15 Ca 0.30 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1buj h ARG 15 Cb 0.32 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1buj h ARG 15 CO -0.26 -0.18 -0.51 0.66 -1.51 0.00 0.00 179.97 178.17 1buj n TYR 16 N -3.59 0.06 -2.60 2.20 4.01 -0.07 -4.92 117.16 112.25 1buj n TYR 16 Ca -0.03 0.02 -0.11 0.00 -0.16 0.00 0.00 57.90 57.61 1buj n TYR 16 Cb 0.11 -0.30 0.02 0.00 -0.31 0.00 0.00 39.34 38.86 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 -1.57 -2.32 -3.76 -0.72 4.81 0.47 -5.00 118.16 110.06 1buj n LYS 17 Ca 0.05 0.47 -0.03 0.00 -0.87 0.00 0.00 58.31 57.92 1buj n LYS 17 Cb 0.35 -4.41 -0.01 0.00 0.02 0.00 0.00 35.03 30.98 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 -5.06 1.22 1.01 1.64 1.70 -1.23 -5.04 118.95 113.20 1buj s ARG 18 Ca 0.14 -0.68 -0.12 0.00 -0.47 0.00 0.00 55.73 54.60 1buj s ARG 18 Cb -0.06 0.41 0.20 0.00 -0.57 0.00 0.00 34.95 34.93 1buj s ARG 18 CO 0.17 -0.56 1.08 -0.51 -1.08 0.00 0.00 175.30 174.40 1buj s LEU 19 N -2.96 1.73 0.84 -1.89 1.43 -1.26 -3.43 118.68 113.14 1buj s LEU 19 Ca 0.13 1.57 -0.12 0.00 -1.03 0.00 0.00 54.13 54.68 1buj s LEU 19 Cb -0.02 -3.76 0.09 0.00 0.03 0.00 0.00 46.19 42.54 1buj s LEU 19 CO 0.03 -3.38 1.11 -2.16 0.23 0.00 0.00 176.35 172.18 1buj s PRO 20 N -4.72 1.74 0.00 1.29 0.04 -1.26 -4.96 135.00 127.14 1buj s PRO 20 Ca 0.66 0.51 0.22 0.00 0.04 0.00 0.00 61.00 62.43 1buj s PRO 20 Cb -0.21 -1.89 0.84 0.00 0.04 0.00 0.00 34.50 33.28 1buj s PRO 20 CO 0.60 -1.83 1.60 -3.47 0.04 0.00 0.00 177.00 173.94 1buj n ASP 21 N -3.55 1.45 -0.02 6.66 2.03 -1.26 -3.14 116.55 118.72 1buj n ASP 21 Ca 0.07 -1.64 0.14 0.00 0.52 0.00 0.00 54.79 53.88 1buj n ASP 21 Cb 0.57 -0.08 0.69 0.00 -0.72 0.00 0.00 41.12 41.58 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 0.17 0.10 -4.31 1.67 6.94 -1.26 -4.61 115.26 113.97 1buj n ASN 22 Ca 0.16 -0.11 -0.35 0.00 -0.02 0.00 0.00 54.58 54.26 1buj n ASN 22 Cb 0.30 -0.26 -0.14 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 -2.65 3.02 0.46 -2.53 2.02 -1.19 -0.90 117.35 115.59 1buj s TYR 23 Ca 0.25 -1.02 0.08 0.00 -0.37 0.00 0.00 57.07 56.02 1buj s TYR 23 Cb 0.20 -2.14 0.02 0.00 -0.40 0.00 0.00 41.96 39.64 1buj s TYR 23 CO 0.49 -0.57 0.54 0.96 -1.57 0.00 0.00 175.55 175.39 1buj s ILE 24 N 1.47 2.61 0.61 2.71 -4.36 -0.49 -4.66 121.20 119.09 1buj s ILE 24 Ca 0.04 -1.15 -0.03 0.00 -0.26 0.00 0.00 60.65 59.25 1buj s ILE 24 Cb -0.15 -2.76 0.04 0.00 1.25 0.00 0.00 42.46 40.83 1buj s ILE 24 CO -0.02 0.00 0.88 0.42 0.24 0.00 0.00 174.94 176.47 1buj s THR 25 N -2.49 2.86 0.11 8.37 -4.23 -1.25 -0.66 115.64 118.34 1buj s THR 25 Ca 0.52 -0.35 -0.29 0.00 -1.18 0.00 0.00 61.69 60.39 1buj s THR 25 Cb -0.06 -3.14 -0.10 0.00 1.34 0.00 0.00 72.50 70.53 1buj s THR 25 CO 0.31 -0.13 1.62 0.11 -0.54 0.00 0.00 174.62 175.99 1buj h LYS 26 N -0.21 -0.57 -0.00 3.99 1.79 -1.96 -1.80 116.57 117.81 1buj h LYS 26 Ca -0.44 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 1buj h LYS 26 Cb 1.29 0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 32.07 1buj h LYS 26 CO 0.58 -0.38 0.03 0.77 -1.08 0.00 0.00 179.45 179.37 1buj h SER 27 N -0.59 0.00 0.12 0.86 0.02 -1.98 0.86 113.55 112.83 1buj h SER 27 Ca 0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1buj h SER 27 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1buj h SER 27 CO -0.14 0.00 -0.06 -0.61 -1.14 0.00 0.00 176.83 174.88 1buj h GLN 28 N 0.00 -0.15 -0.89 3.45 -0.00 -1.75 -2.56 115.11 113.20 1buj h GLN 28 Ca 0.00 0.01 0.24 0.00 -0.00 0.00 0.00 58.65 58.90 1buj h GLN 28 Cb 0.06 0.04 -0.15 0.00 0.00 0.00 0.00 27.48 27.42 1buj h GLN 28 CO -0.00 -0.10 0.14 0.00 0.00 0.00 0.00 178.83 178.86 1buj h ALA 29 N -1.71 1.17 -0.53 3.38 0.00 -0.44 0.23 119.26 121.37 1buj h ALA 29 Ca -0.02 0.26 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1buj h ALA 29 Cb 0.12 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1buj h ALA 29 CO 0.03 -0.51 0.15 0.77 0.00 0.00 0.00 179.25 179.69 1buj h SER 30 N 0.12 0.78 -0.84 0.00 0.02 -1.00 -1.29 113.55 111.35 1buj h SER 30 Ca 0.55 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 61.29 1buj h SER 30 Cb 1.11 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.40 1buj h SER 30 CO -0.74 0.79 0.55 0.00 -1.14 0.00 0.00 176.83 176.29 1buj h ALA 31 N 1.02 1.39 0.38 3.77 0.00 -0.12 -2.85 119.26 122.85 1buj h ALA 31 Ca 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1buj h ALA 31 Cb 0.30 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1buj h ALA 31 CO -0.00 0.56 -0.18 -0.07 0.00 0.00 0.00 179.25 179.56 1buj h LEU 32 N 1.14 -0.44 0.00 0.00 3.38 -1.14 -3.47 115.31 114.79 1buj h LEU 32 Ca 0.31 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1buj h LEU 32 Cb -0.12 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1buj h LEU 32 CO -0.07 -0.26 0.00 0.61 0.09 0.00 0.00 178.44 178.81 1buj n GLY 33 N -0.66 0.00 3.73 0.83 0.00 -0.98 -5.11 105.19 103.01 1buj n GLY 33 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 3.64 -0.16 1.61 -0.00 -0.52 -4.94 118.94 118.57 1buj s TRP 34 Ca 0.00 1.35 0.17 0.00 -0.00 0.00 0.00 56.10 57.61 1buj s TRP 34 Cb 0.00 -2.81 -0.24 0.00 -0.00 0.00 0.00 33.47 30.42 1buj s TRP 34 CO 0.00 0.17 0.42 0.28 -0.00 0.00 0.00 176.95 177.82 1buj n VAL 35 N 3.38 0.00 -2.64 5.86 0.31 -1.26 -4.37 118.33 119.61 1buj n VAL 35 Ca -0.02 -0.33 -0.20 0.00 -0.01 0.00 0.00 64.34 63.78 1buj n VAL 35 Cb 0.51 0.29 0.01 0.00 -0.91 0.00 0.00 33.84 33.74 1buj n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1buj n ALA 36 N -1.94 -0.72 0.05 3.52 0.00 -1.26 -4.61 120.51 115.54 1buj n ALA 36 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1buj n ALA 36 Cb 0.40 -2.80 0.00 0.00 0.00 0.00 0.00 19.45 17.04 1buj n ALA 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1buj n SER 37 N -1.93 -0.83 -4.54 0.00 2.88 -1.26 -5.08 113.62 102.86 1buj n SER 37 Ca -0.17 0.25 -0.43 0.00 -1.33 0.00 0.00 58.87 57.19 1buj n SER 37 Cb 0.65 1.02 -0.05 0.00 -0.75 0.00 0.00 64.21 65.08 1buj n SER 37 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1buj s LYS 38 N -1.33 3.42 0.00 -1.46 2.47 -1.26 -4.80 119.74 116.78 1buj s LYS 38 Ca 0.00 -0.07 0.00 0.00 -1.56 0.00 0.00 55.97 54.34 1buj s LYS 38 Cb 0.00 -3.95 0.00 0.00 -1.46 0.00 0.00 37.83 32.42 1buj s LYS 38 CO 0.00 -1.17 0.00 0.41 0.16 0.00 0.00 175.35 174.75 1buj n GLY 39 N 4.99 -0.55 3.85 5.54 0.00 -1.26 -4.28 105.19 113.48 1buj n GLY 39 Ca 0.03 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.61 4.02 0.01 1.61 4.22 -1.26 -4.57 114.94 118.35 1buj s ASN 40 Ca 0.00 0.83 -0.26 0.00 -2.14 0.00 0.00 52.86 51.30 1buj s ASN 40 Cb 0.00 -1.33 -0.15 0.00 1.28 0.00 0.00 41.25 41.05 1buj s ASN 40 CO 0.00 -2.22 1.10 0.25 -2.04 0.00 0.00 177.10 174.19 1buj h LEU 41 N -1.27 -0.70 -1.98 3.54 5.85 -1.81 -3.07 115.31 115.86 1buj h LEU 41 Ca -0.48 -0.01 0.23 0.00 0.84 0.00 0.00 57.88 58.47 1buj h LEU 41 Cb 1.33 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.51 1buj h LEU 41 CO 0.63 -0.32 0.60 0.00 -0.34 0.00 0.00 178.44 179.01 1buj h ALA 42 N -1.05 2.73 -0.10 1.25 0.00 -1.67 0.59 119.26 121.01 1buj h ALA 42 Ca -0.08 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1buj h ALA 42 Cb 0.67 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 1buj h ALA 42 CO 0.14 -1.02 -0.50 1.49 0.00 0.00 0.00 179.25 179.36 1buj h GLU 43 N 0.00 -0.56 0.00 0.00 4.81 -1.89 -2.13 114.58 114.81 1buj h GLU 43 Ca 0.38 0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.51 1buj h GLU 43 Cb 1.58 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 31.06 1buj h GLU 43 CO -0.00 -0.37 -2.06 1.55 -0.73 0.00 0.00 179.01 177.39 1buj n VAL 44 N -5.44 0.59 -3.65 0.32 3.14 -0.00 -4.51 118.33 108.77 1buj n VAL 44 Ca -0.06 -0.64 -0.29 0.00 -2.96 0.00 0.00 64.34 60.39 1buj n VAL 44 Cb 0.38 -0.22 -0.12 0.00 -1.06 0.00 0.00 33.84 32.81 1buj n VAL 44 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1buj s ALA 45 N -3.11 2.17 0.54 1.55 0.00 -0.05 -4.80 121.76 118.06 1buj s ALA 45 Ca -0.08 -2.72 -0.18 0.00 0.00 0.00 0.00 51.96 48.99 1buj s ALA 45 Cb 0.11 -1.85 -0.06 0.00 0.00 0.00 0.00 23.12 21.32 1buj s ALA 45 CO 0.87 -2.05 1.04 -1.25 0.00 0.00 0.00 175.76 174.37 1buj s PRO 46 N 0.04 3.58 0.00 0.00 0.04 -0.80 -3.47 135.00 134.39 1buj s PRO 46 Ca 0.22 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1buj s PRO 46 Cb -0.15 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1buj s PRO 46 CO -0.07 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.78 1buj n GLY 47 N -0.69 0.54 3.06 0.56 0.00 -1.26 -4.95 105.19 102.45 1buj n GLY 47 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1buj n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1buj s LYS 48 N -0.39 1.26 0.21 1.61 3.01 -1.23 -4.80 119.74 119.41 1buj s LYS 48 Ca 0.00 -0.44 0.02 0.00 -1.01 0.00 0.00 55.97 54.53 1buj s LYS 48 Cb 0.00 -1.15 0.02 0.00 -1.01 0.00 0.00 37.83 35.69 1buj s LYS 48 CO 0.00 0.19 0.13 0.43 0.51 0.00 0.00 175.35 176.62 1buj n SER 49 N 3.13 1.84 -4.89 2.83 7.64 -0.08 -4.63 113.62 119.46 1buj n SER 49 Ca -0.17 -1.77 -0.30 0.00 1.01 0.00 0.00 58.87 57.64 1buj n SER 49 Cb 0.54 0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.71 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 -1.18 4.92 0.00 0.44 -1.09 -1.26 -1.39 121.20 121.64 1buj s ILE 50 Ca 0.10 0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.86 1buj s ILE 50 Cb -0.01 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 1buj s ILE 50 CO 0.06 -0.32 0.00 0.61 -1.23 0.00 0.00 174.94 174.06 1buj n GLY 51 N -0.85 0.05 1.69 6.18 0.00 0.17 -2.18 105.19 110.24 1buj n GLY 51 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.18 0.55 3.85 -0.02 0.00 -0.49 -3.97 105.19 104.93 1buj n GLY 52 Ca 0.00 -0.29 -0.33 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 -2.26 6.81 0.10 1.61 1.01 -1.23 -4.90 116.67 117.82 1buj s ASP 53 Ca 0.00 1.22 -0.29 0.00 0.71 0.00 0.00 52.55 54.19 1buj s ASP 53 Cb 0.00 -2.35 -0.06 0.00 1.01 0.00 0.00 42.92 41.53 1buj s ASP 53 CO 0.00 -0.10 0.93 -0.69 0.21 0.00 0.00 175.17 175.52 1buj s VAL 54 N -1.80 4.53 -0.08 -1.27 1.01 -1.26 -0.93 120.40 120.60 1buj s VAL 54 Ca 0.49 2.00 0.01 0.00 0.00 0.00 0.00 61.98 64.48 1buj s VAL 54 Cb -0.12 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 31.91 1buj s VAL 54 CO 0.19 0.33 -0.06 0.33 0.00 0.00 0.00 175.10 175.89 1buj n PHE 55 N 2.76 0.00 -1.21 5.22 7.35 -0.87 -4.86 117.46 125.86 1buj n PHE 55 Ca 0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 1buj n PHE 55 Cb 0.49 -0.31 0.00 0.00 0.35 0.00 0.00 39.48 40.01 1buj n PHE 55 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1buj n SER 56 N -2.69 -6.16 -4.68 -2.13 2.88 -0.66 -4.82 113.62 95.36 1buj n SER 56 Ca -0.14 0.78 -0.42 0.00 -1.33 0.00 0.00 58.87 57.76 1buj n SER 56 Cb 0.66 -2.83 -0.03 0.00 -0.75 0.00 0.00 64.21 61.26 1buj n SER 56 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1buj s ASN 57 N -1.04 6.65 0.10 -3.46 3.84 -1.26 -4.93 114.94 114.84 1buj s ASN 57 Ca 0.00 2.39 0.03 0.00 0.21 0.00 0.00 52.86 55.48 1buj s ASN 57 Cb 0.00 -2.56 -0.04 0.00 -0.55 0.00 0.00 41.25 38.10 1buj s ASN 57 CO 0.00 -0.86 -0.08 -0.13 -2.79 0.00 0.00 177.10 173.24 1buj s ARG 58 N 2.83 0.83 0.00 0.43 0.52 -1.26 -4.85 118.95 117.45 1buj s ARG 58 Ca 0.72 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.69 1buj s ARG 58 Cb -0.37 -0.34 0.00 0.00 0.52 0.00 0.00 34.95 34.75 1buj s ARG 58 CO 0.31 0.02 0.00 -1.91 0.02 0.00 0.00 175.30 173.74 1buj n GLU 59 N 0.25 0.00 0.00 3.54 2.13 -1.26 -3.87 120.64 121.43 1buj n GLU 59 Ca -0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.68 1buj n GLU 59 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.30 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 0.00 0.75 0.12 8.31 0.00 -1.26 -5.06 105.19 108.05 1buj n GLY 60 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1buj n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1buj n ARG 61 N 0.00 0.69 -3.99 1.61 1.74 -1.25 -4.91 116.66 110.55 1buj n ARG 61 Ca 0.00 0.17 -0.25 0.00 -0.77 0.00 0.00 57.85 57.00 1buj n ARG 61 Cb 0.00 -1.61 -0.03 0.00 -1.02 0.00 0.00 32.46 29.80 1buj n ARG 61 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1buj s LEU 62 N -6.42 4.21 1.03 0.55 1.43 -1.26 -5.00 118.68 113.22 1buj s LEU 62 Ca -0.23 0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 52.77 1buj s LEU 62 Cb 0.08 -2.78 0.21 0.00 0.03 0.00 0.00 46.19 43.73 1buj s LEU 62 CO 0.72 0.02 1.19 -2.16 0.23 0.00 0.00 176.35 176.35 1buj s PRO 63 N -3.44 0.14 0.13 1.29 0.04 -1.26 -4.91 135.00 126.99 1buj s PRO 63 Ca 0.34 -0.09 -0.09 0.00 0.04 0.00 0.00 61.00 61.20 1buj s PRO 63 Cb -0.10 -1.76 -0.00 0.00 0.04 0.00 0.00 34.50 32.68 1buj s PRO 63 CO 0.28 -2.80 0.26 0.45 0.04 0.00 0.00 177.00 175.22 1buj s SER 64 N -4.29 0.05 0.26 6.66 0.15 -1.26 -4.97 113.70 110.30 1buj s SER 64 Ca 0.70 -0.75 -0.18 0.00 0.70 0.00 0.00 55.95 56.42 1buj s SER 64 Cb -0.09 0.40 0.01 0.00 -1.71 0.00 0.00 66.02 64.63 1buj s SER 64 CO 0.54 -0.83 0.61 0.00 1.20 0.00 0.00 173.24 174.76 1buj s ALA 65 N -3.92 -0.85 -0.38 5.45 0.00 -1.26 -5.06 121.76 115.74 1buj s ALA 65 Ca 0.12 -0.49 -0.27 0.00 0.00 0.00 0.00 51.96 51.31 1buj s ALA 65 Cb 0.04 0.93 -0.05 0.00 0.00 0.00 0.00 23.12 24.04 1buj s ALA 65 CO -0.05 -0.95 2.18 -1.12 0.00 0.00 0.00 175.76 175.82 1buj s SER 66 N -2.95 5.14 0.00 0.00 0.01 -1.26 -1.35 113.70 113.30 1buj s SER 66 Ca 0.15 1.32 0.00 0.00 1.31 0.00 0.00 55.95 58.73 1buj s SER 66 Cb -0.03 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1buj s SER 66 CO 0.06 -2.30 0.00 0.61 0.41 0.00 0.00 173.24 172.02 1buj n GLY 67 N 5.79 0.55 3.83 3.44 0.00 -1.26 -5.02 105.19 112.52 1buj n GLY 67 Ca 0.30 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.78 4.02 0.22 1.61 3.52 -0.45 -5.08 118.95 122.01 1buj s ARG 68 Ca 0.00 0.53 0.08 0.00 -0.13 0.00 0.00 55.73 56.21 1buj s ARG 68 Cb 0.00 -3.13 -0.05 0.00 -1.56 0.00 0.00 34.95 30.21 1buj s ARG 68 CO 0.00 0.61 -0.14 0.99 -0.81 0.00 0.00 175.30 175.94 1buj s THR 69 N -1.22 1.83 0.02 4.11 2.01 -1.26 -4.70 115.64 116.43 1buj s THR 69 Ca 0.30 -2.23 0.08 0.00 0.31 0.00 0.00 61.69 60.15 1buj s THR 69 Cb -0.17 -2.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 1buj s THR 69 CO 0.17 -0.54 -0.25 0.26 -0.69 0.00 0.00 174.62 173.56 1buj s TRP 70 N -2.91 2.26 0.03 4.92 0.52 -1.26 -2.13 118.94 120.36 1buj s TRP 70 Ca 0.24 -0.42 0.01 0.00 0.02 0.00 0.00 56.10 55.96 1buj s TRP 70 Cb -0.01 -1.40 -0.02 0.00 -1.15 0.00 0.00 33.47 30.89 1buj s TRP 70 CO 0.08 0.05 -0.06 1.03 0.02 0.00 0.00 176.95 178.07 1buj s ARG 71 N -0.93 0.43 0.34 4.98 0.52 -0.27 -1.65 118.95 122.37 1buj s ARG 71 Ca 0.11 -0.58 0.08 0.00 -0.52 0.00 0.00 55.73 54.82 1buj s ARG 71 Cb -0.10 -0.20 -0.05 0.00 0.52 0.00 0.00 34.95 35.12 1buj s ARG 71 CO 0.01 0.04 0.09 -1.83 0.02 0.00 0.00 175.30 173.62 1buj s GLU 72 N -1.21 2.25 -0.06 3.54 -1.05 -0.10 -1.13 118.70 120.94 1buj s GLU 72 Ca -0.09 -1.64 -0.30 0.00 -0.15 0.00 0.00 54.97 52.79 1buj s GLU 72 Cb -0.08 -2.07 0.09 0.00 -0.44 0.00 0.00 34.13 31.62 1buj s GLU 72 CO -0.00 0.11 0.76 0.00 0.95 0.00 0.00 175.26 177.08 1buj s ALA 73 N -2.47 -1.80 0.33 -0.84 0.00 -0.53 -1.39 121.76 115.05 1buj s ALA 73 Ca 0.37 1.32 -0.26 0.00 0.00 0.00 0.00 51.96 53.39 1buj s ALA 73 Cb -0.01 -0.11 -0.09 0.00 0.00 0.00 0.00 23.12 22.90 1buj s ALA 73 CO 0.21 -0.39 0.99 -0.51 0.00 0.00 0.00 175.76 176.06 1buj s ASP 74 N -1.31 7.22 -0.08 0.00 1.01 -0.93 -1.57 116.67 121.01 1buj s ASP 74 Ca -0.07 1.96 0.04 0.00 0.71 0.00 0.00 52.55 55.19 1buj s ASP 74 Cb -0.00 -2.59 -0.00 0.00 1.01 0.00 0.00 42.92 41.33 1buj s ASP 74 CO 0.06 -0.16 -0.22 -0.63 0.21 0.00 0.00 175.17 174.42 1buj s ILE 75 N -1.51 1.88 -1.19 0.77 -1.09 -0.67 -4.81 121.20 114.58 1buj s ILE 75 Ca 0.50 -0.94 -0.15 0.00 -2.23 0.00 0.00 60.65 57.83 1buj s ILE 75 Cb -0.22 -1.62 -0.01 0.00 -1.58 0.00 0.00 42.46 39.03 1buj s ILE 75 CO 0.28 0.52 0.74 0.59 -1.23 0.00 0.00 174.94 175.84 1buj n ASN 76 N 3.34 -4.29 -3.15 3.58 3.02 -0.53 -4.51 115.26 112.71 1buj n ASN 76 Ca -0.19 -0.98 0.04 0.00 -0.03 0.00 0.00 54.58 53.41 1buj n ASN 76 Cb 0.53 -3.49 -0.00 0.00 -0.61 0.00 0.00 39.78 36.20 1buj n ASN 76 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1buj s TYR 77 N -3.55 -1.67 -0.11 3.10 2.02 -1.26 -4.93 117.35 110.95 1buj s TYR 77 Ca 0.36 0.83 -0.10 0.00 -0.37 0.00 0.00 57.07 57.79 1buj s TYR 77 Cb -0.12 0.29 -0.05 0.00 -0.40 0.00 0.00 41.96 41.68 1buj s TYR 77 CO 0.85 -1.01 -0.21 0.28 -1.57 0.00 0.00 175.55 173.89 1buj n VAL 78 N 5.15 1.22 -3.31 0.71 0.31 -1.26 -4.53 118.33 116.62 1buj n VAL 78 Ca 0.07 0.07 -0.19 0.00 -0.01 0.00 0.00 64.34 64.27 1buj n VAL 78 Cb 0.55 -1.93 -0.01 0.00 -0.91 0.00 0.00 33.84 31.54 1buj n VAL 78 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1buj s SER 79 N -6.16 5.47 0.45 4.52 0.01 -1.26 -3.48 113.70 113.25 1buj s SER 79 Ca -0.20 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1buj s SER 79 Cb 0.05 -0.73 0.00 0.00 0.21 0.00 0.00 66.02 65.55 1buj s SER 79 CO 0.27 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.89 1buj n GLY 80 N -1.69 0.74 3.99 3.44 0.00 -1.26 -4.97 105.19 105.45 1buj n GLY 80 Ca 0.05 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 44.77 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 1.57 0.34 1.61 0.08 -1.26 -4.33 117.98 115.99 1buj s PHE 81 Ca 0.00 -0.25 -0.27 0.00 0.12 0.00 0.00 56.93 56.53 1buj s PHE 81 Cb 0.00 -3.04 -0.13 0.00 -0.57 0.00 0.00 43.02 39.28 1buj s PHE 81 CO 0.00 -1.76 1.12 0.54 -0.10 0.00 0.00 175.22 175.02 1buj n ARG 82 N -2.88 1.67 -1.79 0.44 5.12 -1.26 -4.93 116.66 113.03 1buj n ARG 82 Ca 0.15 0.59 -0.36 0.00 -1.93 0.00 0.00 57.85 56.30 1buj n ARG 82 Cb 0.61 -2.08 0.06 0.00 -1.16 0.00 0.00 32.46 29.88 1buj n ARG 82 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1buj s ASN 83 N -0.50 4.78 0.05 0.55 2.20 -1.26 -4.91 114.94 115.85 1buj s ASN 83 Ca 0.58 2.44 0.00 0.00 -0.94 0.00 0.00 52.86 54.94 1buj s ASN 83 Cb -0.62 -2.60 0.00 0.00 -2.00 0.00 0.00 41.25 36.03 1buj s ASN 83 CO 0.60 -1.88 0.00 0.00 -2.94 0.00 0.00 177.10 172.89 1buj n ALA 84 N -1.98 1.90 -1.81 3.54 0.00 -1.26 -5.04 120.51 115.86 1buj n ALA 84 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 1buj n ALA 84 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 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 -3.90 6.51 0.15 0.00 1.11 -1.26 -3.25 116.67 116.03 1buj s ASP 85 Ca 0.00 2.62 -0.12 0.00 0.18 0.00 0.00 52.55 55.24 1buj s ASP 85 Cb 0.00 -2.56 0.01 0.00 1.07 0.00 0.00 42.92 41.44 1buj s ASP 85 CO 0.00 -0.96 0.34 -0.13 1.18 0.00 0.00 175.17 175.60 1buj s ARG 86 N 2.91 1.14 -0.00 8.23 0.52 -0.07 -1.67 118.95 130.00 1buj s ARG 86 Ca 0.79 -1.00 0.01 0.00 -0.52 0.00 0.00 55.73 55.00 1buj s ARG 86 Cb -0.43 0.42 -0.00 0.00 0.52 0.00 0.00 34.95 35.46 1buj s ARG 86 CO 0.35 -0.43 -0.03 -1.17 0.02 0.00 0.00 175.30 174.04 1buj s LEU 87 N -2.90 1.97 -0.08 2.53 0.20 -0.61 -1.48 118.68 118.30 1buj s LEU 87 Ca 0.11 -0.06 0.02 0.00 0.69 0.00 0.00 54.13 54.90 1buj s LEU 87 Cb 0.02 -0.18 0.01 0.00 -0.43 0.00 0.00 46.19 45.62 1buj s LEU 87 CO -0.04 0.04 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.21 1buj s VAL 88 N -0.03 1.40 0.07 1.68 1.01 -0.36 -1.46 120.40 122.72 1buj s VAL 88 Ca 0.01 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.42 1buj s VAL 88 Cb -0.02 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 1buj s VAL 88 CO -0.00 0.42 -0.15 -0.72 0.00 0.00 0.00 175.10 174.65 1buj s TYR 89 N 0.67 1.27 0.55 5.22 -0.85 -0.28 -1.42 117.35 122.50 1buj s TYR 89 Ca -0.14 -0.46 0.03 0.00 -0.52 0.00 0.00 57.07 55.99 1buj s TYR 89 Cb -0.16 -0.71 0.05 0.00 0.38 0.00 0.00 41.96 41.52 1buj s TYR 89 CO 0.04 0.07 0.77 -1.54 -1.52 0.00 0.00 175.55 173.36 1buj s SER 90 N -1.77 5.20 0.20 -0.18 1.04 -0.41 -1.12 113.70 116.66 1buj s SER 90 Ca -0.01 -0.23 -0.11 0.00 0.48 0.00 0.00 55.95 56.08 1buj s SER 90 Cb -0.10 -0.59 0.15 0.00 0.10 0.00 0.00 66.02 65.58 1buj s SER 90 CO 0.02 -1.19 1.86 0.28 0.98 0.00 0.00 173.24 175.19 1buj h SER 91 N 0.11 0.74 -0.54 7.02 0.02 -1.77 -0.91 113.55 118.21 1buj h SER 91 Ca -0.40 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1buj h SER 91 Cb 1.29 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1buj h SER 91 CO 0.48 0.52 0.00 -0.90 -1.14 0.00 0.00 176.83 175.79 1buj n ASP 92 N -4.65 4.64 -2.03 3.07 5.68 -1.26 -4.92 116.55 117.09 1buj n ASP 92 Ca 0.06 -2.58 -0.06 0.00 -0.50 0.00 0.00 54.79 51.71 1buj n ASP 92 Cb 0.05 -0.60 0.03 0.00 -1.14 0.00 0.00 41.12 39.46 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 0.78 -0.89 -3.47 2.11 7.02 -0.35 -5.02 117.44 117.62 1buj n TRP 93 Ca 0.23 0.35 -0.38 0.00 -1.02 0.00 0.00 57.50 56.69 1buj n TRP 93 Cb 0.92 -3.17 -0.08 0.00 -2.42 0.00 0.00 31.31 26.56 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 -3.77 4.12 -0.06 -0.99 1.02 -1.26 -4.89 118.68 112.85 1buj s LEU 94 Ca 0.07 0.35 0.06 0.00 0.02 0.00 0.00 54.13 54.62 1buj s LEU 94 Cb -0.01 -2.37 -0.01 0.00 0.02 0.00 0.00 46.19 43.82 1buj s LEU 94 CO 0.28 -0.05 -0.23 -0.63 0.02 0.00 0.00 176.35 175.74 1buj s ILE 95 N 1.36 1.93 -0.02 -0.59 1.01 -1.26 -1.29 121.20 122.34 1buj s ILE 95 Ca 0.15 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.78 1buj s ILE 95 Cb -0.15 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.69 1buj s ILE 95 CO 0.07 0.54 0.06 -0.31 0.00 0.00 0.00 174.94 175.30 1buj s TYR 96 N -0.06 -0.04 0.22 3.97 1.51 -0.51 -2.21 117.35 120.23 1buj s TYR 96 Ca -0.05 0.11 0.06 0.00 -1.01 0.00 0.00 57.07 56.17 1buj s TYR 96 Cb -0.14 0.01 -0.04 0.00 -0.11 0.00 0.00 41.96 41.68 1buj s TYR 96 CO 0.04 -0.05 0.20 -1.59 -1.11 0.00 0.00 175.55 173.04 1buj s LYS 97 N -0.11 3.00 -0.18 -0.62 -2.85 -0.13 -1.22 119.74 117.63 1buj s LYS 97 Ca -0.02 -0.95 -0.15 0.00 -1.00 0.00 0.00 55.97 53.86 1buj s LYS 97 Cb -0.01 -2.64 0.05 0.00 -2.06 0.00 0.00 37.83 33.17 1buj s LYS 97 CO 0.00 0.43 0.46 -0.08 0.10 0.00 0.00 175.35 176.27 1buj s THR 98 N -2.00 -0.01 -0.90 3.79 -1.32 -0.55 -2.16 115.64 112.49 1buj s THR 98 Ca 0.33 0.02 0.17 0.00 -1.21 0.00 0.00 61.69 60.99 1buj s THR 98 Cb -0.09 -0.66 -0.16 0.00 -1.51 0.00 0.00 72.50 70.09 1buj s THR 98 CO 0.25 0.01 0.74 0.35 -2.21 0.00 0.00 174.62 173.76 1buj n THR 99 N 3.23 0.00 -1.14 5.08 -2.24 -1.26 -0.89 114.28 117.06 1buj n THR 99 Ca -0.16 -0.13 0.07 0.00 -2.27 0.00 0.00 64.05 61.56 1buj n THR 99 Cb 0.56 1.03 0.20 0.00 -2.10 0.00 0.00 70.33 70.03 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 -1.22 2.92 -2.02 3.42 5.68 -1.26 -4.23 116.55 119.84 1buj n ASP 100 Ca 0.04 -3.23 -0.03 0.00 -0.50 0.00 0.00 54.79 51.06 1buj n ASP 100 Cb 0.28 -0.52 0.01 0.00 -1.14 0.00 0.00 41.12 39.75 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 -0.83 -2.72 2.11 -0.00 -1.20 -2.96 115.22 108.62 1buj n HIS 101 Ca 0.21 0.30 -0.05 0.00 -0.00 0.00 0.00 57.72 58.18 1buj n HIS 101 Cb 0.80 -2.73 0.00 0.00 -0.00 0.00 0.00 29.99 28.06 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 -1.72 -0.38 -0.13 1.57 4.11 -1.26 -4.87 117.16 114.48 1buj n TYR 102 Ca -0.01 0.16 -0.26 0.00 -0.00 0.00 0.00 57.90 57.79 1buj n TYR 102 Cb 0.52 -0.51 -0.09 0.00 -0.00 0.00 0.00 39.34 39.27 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 -0.89 1.18 -2.30 -3.48 0.00 -1.15 -5.07 120.51 108.80 1buj n ALA 103 Ca -0.06 -1.04 -0.16 0.00 0.00 0.00 0.00 53.44 52.18 1buj n ALA 103 Cb 0.13 0.13 -0.10 0.00 0.00 0.00 0.00 19.45 19.61 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 -2.57 0.41 0.03 0.00 -4.23 -1.26 -5.08 115.64 102.93 1buj s THR 104 Ca -0.37 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.14 1buj s THR 104 Cb 0.13 -2.59 -0.02 0.00 1.34 0.00 0.00 72.50 71.35 1buj s THR 104 CO 0.47 0.00 -0.02 -0.36 -0.54 0.00 0.00 174.62 174.17 1buj s PHE 105 N -3.81 0.31 -0.02 3.99 0.08 -1.26 -4.56 117.98 112.71 1buj s PHE 105 Ca 0.38 -0.64 0.01 0.00 0.12 0.00 0.00 56.93 56.79 1buj s PHE 105 Cb 0.07 -0.23 0.02 0.00 -0.57 0.00 0.00 43.02 42.31 1buj s PHE 105 CO 0.14 -0.24 -0.01 0.99 -0.10 0.00 0.00 175.22 176.00 1buj s THR 106 N -2.05 0.23 0.25 0.64 2.01 -0.92 -4.95 115.64 110.86 1buj s THR 106 Ca -0.10 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.59 1buj s THR 106 Cb -0.06 -0.28 -0.10 0.00 0.01 0.00 0.00 72.50 72.08 1buj s THR 106 CO -0.03 0.13 1.37 -0.60 -0.69 0.00 0.00 174.62 174.79 1buj s ARG 107 N 0.63 4.33 -0.23 4.92 3.52 -1.26 -0.95 118.95 129.89 1buj s ARG 107 Ca -0.06 2.21 -0.05 0.00 -0.13 0.00 0.00 55.73 57.70 1buj s ARG 107 Cb -0.10 -3.13 -0.18 0.00 -1.56 0.00 0.00 34.95 29.99 1buj s ARG 107 CO -0.01 -0.31 -0.10 0.44 -0.81 0.00 0.00 175.30 174.51 1buj n ILE 108 N 2.05 1.56 1.68 4.11 -6.64 -0.94 -4.91 119.36 116.28 1buj n ILE 108 Ca 0.05 -0.51 0.15 0.00 -1.77 0.00 0.00 62.75 60.66 1buj n ILE 108 Cb 0.41 -1.62 0.68 0.00 -1.44 0.00 0.00 39.64 37.67 1buj n ILE 108 CO 0.00 0.00 0.00 -1.14 -1.77 0.00 0.00 176.55 173.64