#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 2.64 -0.02 0.00 0.11 -1.26 -5.00 120.40 116.87 1buj s VAL 2 Ca 0.00 0.47 -0.20 0.00 -2.93 0.00 0.00 61.98 59.33 1buj s VAL 2 Cb 0.00 -3.24 -0.05 0.00 -1.53 0.00 0.00 36.38 31.56 1buj s VAL 2 CO 0.00 -0.01 0.56 -0.63 -3.33 0.00 0.00 175.10 171.69 1buj s ILE 3 N -1.44 4.96 -0.34 7.04 1.01 -1.26 -4.94 121.20 126.23 1buj s ILE 3 Ca 0.68 1.16 0.13 0.00 0.00 0.00 0.00 60.65 62.62 1buj s ILE 3 Cb -0.34 -3.89 0.41 0.00 0.01 0.00 0.00 42.46 38.65 1buj s ILE 3 CO 0.40 0.42 1.51 -0.46 0.00 0.00 0.00 174.94 176.82 1buj n ASN 4 N 2.77 -1.42 -4.68 3.58 6.94 -1.26 -4.89 115.26 116.29 1buj n ASN 4 Ca -0.08 -2.25 -0.28 0.00 -0.02 0.00 0.00 54.58 51.96 1buj n ASN 4 Cb 0.51 0.69 -0.09 0.00 -2.36 0.00 0.00 39.78 38.53 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 0.01 1.94 0.06 5.53 -4.23 -1.26 -0.36 115.64 117.33 1buj s THR 5 Ca 0.11 -1.90 -0.26 0.00 -1.18 0.00 0.00 61.69 58.46 1buj s THR 5 Cb 0.44 -2.84 -0.17 0.00 1.34 0.00 0.00 72.50 71.28 1buj s THR 5 CO -0.12 0.00 1.60 -0.26 -0.54 0.00 0.00 174.62 175.30 1buj h PHE 6 N 1.57 -0.26 0.00 3.99 0.04 -1.96 -0.09 116.94 120.23 1buj h PHE 6 Ca -0.43 -0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.23 1buj h PHE 6 Cb 1.26 0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.48 1buj h PHE 6 CO 0.84 -0.09 -0.49 -0.44 -0.60 0.00 0.00 178.31 177.53 1buj h ASP 7 N -0.37 0.00 0.01 2.17 3.32 -1.98 -1.92 116.42 117.65 1buj h ASP 7 Ca -0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1buj h ASP 7 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1buj h ASP 7 CO 0.05 0.49 -0.01 1.23 -1.72 0.00 0.00 179.24 179.28 1buj h GLY 8 N 2.76 -0.02 1.03 2.75 0.00 -1.94 -2.46 103.07 105.19 1buj h GLY 8 Ca -0.00 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1buj h GLY 8 CO 0.06 -0.01 0.63 -2.08 0.00 0.00 0.00 176.54 175.15 1buj h VAL 9 N -0.88 1.22 -0.71 4.60 2.07 -1.07 -1.86 116.25 119.63 1buj h VAL 9 Ca -0.00 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.11 1buj h VAL 9 Cb 0.80 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1buj h VAL 9 CO 0.00 0.23 0.47 0.00 0.02 0.00 0.00 177.57 178.29 1buj h ALA 10 N 1.42 1.58 -0.34 1.67 0.00 -1.35 -2.10 119.26 120.13 1buj h ALA 10 Ca 0.36 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1buj h ALA 10 Cb -0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1buj h ALA 10 CO -0.09 0.35 -0.09 -0.44 0.00 0.00 0.00 179.25 178.98 1buj h ASP 11 N 0.87 0.66 -0.79 0.00 5.19 -0.84 -2.59 116.42 118.91 1buj h ASP 11 Ca 0.28 -0.37 -0.03 0.00 -0.62 0.00 0.00 57.03 56.29 1buj h ASP 11 Cb 0.04 -0.18 -0.04 0.00 0.18 0.00 0.00 39.33 39.33 1buj h ASP 11 CO -0.08 0.88 0.39 1.88 -3.12 0.00 0.00 179.24 179.20 1buj h TYR 12 N 0.44 1.14 0.23 4.55 0.05 -1.12 -0.00 116.97 122.26 1buj h TYR 12 Ca 0.08 -0.05 0.01 0.00 0.05 0.00 0.00 58.73 58.83 1buj h TYR 12 Cb 0.59 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 37.95 1buj h TYR 12 CO 0.05 0.82 -0.33 -0.07 -1.05 0.00 0.00 178.16 177.58 1buj h LEU 13 N 1.14 -0.91 -0.56 3.88 3.38 -1.22 -0.48 115.31 120.54 1buj h LEU 13 Ca 0.28 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.41 1buj h LEU 13 Cb 0.10 0.32 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1buj h LEU 13 CO -0.04 -0.44 0.23 0.40 0.09 0.00 0.00 178.44 178.68 1buj h ILE 14 N -0.62 0.83 0.20 1.22 1.08 -1.05 0.92 117.51 120.09 1buj h ILE 14 Ca 0.00 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 1buj h ILE 14 Cb 0.60 0.37 0.00 0.00 -3.07 0.00 0.00 36.82 34.72 1buj h ILE 14 CO -0.12 0.08 -0.10 -0.09 -0.69 0.00 0.00 178.15 177.23 1buj h ARG 15 N 0.42 -0.26 -0.01 2.37 2.43 -0.52 -3.34 114.38 115.47 1buj h ARG 15 Ca 0.27 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1buj h ARG 15 Cb 0.29 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1buj h ARG 15 CO -0.26 -0.17 -0.38 0.66 -1.51 0.00 0.00 179.97 178.31 1buj n TYR 16 N -2.98 0.00 -2.18 2.20 4.01 -0.23 -4.93 117.16 113.05 1buj n TYR 16 Ca -0.03 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.64 1buj n TYR 16 Cb 0.10 -0.05 -0.00 0.00 -0.31 0.00 0.00 39.34 39.09 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 -0.27 -0.67 -3.77 -0.72 4.81 0.31 -4.99 118.16 112.87 1buj n LYS 17 Ca 0.11 0.31 -0.03 0.00 -0.87 0.00 0.00 58.31 57.82 1buj n LYS 17 Cb 0.42 -4.12 -0.01 0.00 0.02 0.00 0.00 35.03 31.34 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 -4.41 1.18 0.94 1.64 1.70 -1.20 -5.03 118.95 113.76 1buj s ARG 18 Ca 0.01 -0.68 -0.12 0.00 -0.47 0.00 0.00 55.73 54.48 1buj s ARG 18 Cb -0.01 0.38 0.15 0.00 -0.57 0.00 0.00 34.95 34.91 1buj s ARG 18 CO 0.02 -0.54 1.09 -0.51 -1.08 0.00 0.00 175.30 174.27 1buj s LEU 19 N -3.03 2.08 0.80 -1.89 1.43 -1.26 -3.17 118.68 113.63 1buj s LEU 19 Ca 0.14 1.53 -0.11 0.00 -1.03 0.00 0.00 54.13 54.65 1buj s LEU 19 Cb -0.01 -3.86 0.07 0.00 0.03 0.00 0.00 46.19 42.42 1buj s LEU 19 CO 0.03 -2.92 1.10 -2.16 0.23 0.00 0.00 176.35 172.63 1buj s PRO 20 N -4.85 2.06 0.00 1.29 0.04 -1.26 -4.93 135.00 127.34 1buj s PRO 20 Ca 0.64 0.63 0.23 0.00 0.04 0.00 0.00 61.00 62.54 1buj s PRO 20 Cb -0.19 -1.92 0.80 0.00 0.04 0.00 0.00 34.50 33.23 1buj s PRO 20 CO 0.58 -1.64 1.58 -3.47 0.04 0.00 0.00 177.00 174.09 1buj n ASP 21 N -3.44 1.72 0.13 6.66 2.03 -1.26 -3.02 116.55 119.36 1buj n ASP 21 Ca 0.07 -1.68 0.13 0.00 0.52 0.00 0.00 54.79 53.83 1buj n ASP 21 Cb 0.56 -0.09 0.33 0.00 -0.72 0.00 0.00 41.12 41.20 1buj n ASP 21 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1buj h ASN 22 N 2.37 0.00 -3.68 1.67 -1.07 -1.93 -3.42 115.58 109.52 1buj h ASN 22 Ca 0.00 -0.02 -0.68 0.00 0.07 0.00 0.00 56.30 55.67 1buj h ASN 22 Cb 0.51 0.00 -0.20 0.00 -2.07 0.00 0.00 38.32 36.56 1buj h ASN 22 CO 0.00 0.01 -0.50 -0.31 0.07 0.00 0.00 177.43 176.70 1buj s TYR 23 N -3.14 3.21 0.69 4.14 2.02 -1.17 -2.60 117.35 120.51 1buj s TYR 23 Ca 0.09 -0.37 -0.00 0.00 -0.37 0.00 0.00 57.07 56.42 1buj s TYR 23 Cb 0.11 -2.44 0.11 0.00 -0.40 0.00 0.00 41.96 39.34 1buj s TYR 23 CO 0.63 -0.41 0.96 0.96 -1.57 0.00 0.00 175.55 176.11 1buj s ILE 24 N 1.68 2.19 0.59 2.71 -4.36 0.02 -4.59 121.20 119.43 1buj s ILE 24 Ca 0.05 -0.62 0.02 0.00 -0.26 0.00 0.00 60.65 59.84 1buj s ILE 24 Cb -0.17 -2.57 0.06 0.00 1.25 0.00 0.00 42.46 41.02 1buj s ILE 24 CO 0.09 0.00 0.82 0.42 0.24 0.00 0.00 174.94 176.51 1buj s THR 25 N -3.08 2.51 0.14 8.37 -4.23 -1.26 -0.54 115.64 117.55 1buj s THR 25 Ca 0.65 -0.69 -0.20 0.00 -1.18 0.00 0.00 61.69 60.28 1buj s THR 25 Cb -0.06 -2.83 -0.00 0.00 1.34 0.00 0.00 72.50 70.95 1buj s THR 25 CO 0.43 0.00 1.69 0.11 -0.54 0.00 0.00 174.62 176.32 1buj h LYS 26 N -0.04 -0.01 -0.58 3.99 1.79 -1.96 -2.68 116.57 117.07 1buj h LYS 26 Ca -0.40 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.13 1buj h LYS 26 Cb 1.29 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.91 1buj h LYS 26 CO 0.48 -0.01 0.38 0.77 -1.08 0.00 0.00 179.45 179.99 1buj h SER 27 N -0.02 0.49 -0.06 0.86 0.02 -1.99 0.18 113.55 113.04 1buj h SER 27 Ca 0.12 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1buj h SER 27 Cb 0.19 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 1buj h SER 27 CO -0.25 0.32 -0.06 1.56 -1.14 0.00 0.00 176.83 177.26 1buj h GLN 28 N 0.56 0.15 -0.43 3.45 1.08 -1.88 -1.16 115.11 116.87 1buj h GLN 28 Ca 0.25 -0.08 0.04 0.00 -1.45 0.00 0.00 58.65 57.41 1buj h GLN 28 Cb 0.27 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.66 1buj h GLN 28 CO -0.07 0.60 0.21 0.00 -0.95 0.00 0.00 178.83 178.62 1buj h ALA 29 N 0.55 0.54 -0.73 3.87 0.00 -0.96 -1.31 119.26 121.21 1buj h ALA 29 Ca 0.01 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1buj h ALA 29 Cb 0.57 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1buj h ALA 29 CO 0.02 -0.15 0.29 0.77 0.00 0.00 0.00 179.25 180.17 1buj h SER 30 N 0.42 1.01 -0.56 0.00 0.02 -0.95 -0.43 113.55 113.08 1buj h SER 30 Ca 0.19 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 1buj h SER 30 Cb 0.10 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 1buj h SER 30 CO -0.14 0.91 0.19 0.00 -1.14 0.00 0.00 176.83 176.66 1buj h ALA 31 N 1.14 1.21 0.00 3.77 0.00 -0.80 -0.52 119.26 124.06 1buj h ALA 31 Ca 0.24 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1buj h ALA 31 Cb 0.22 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1buj h ALA 31 CO -0.02 0.56 -0.00 -0.07 0.00 0.00 0.00 179.25 179.71 1buj h LEU 32 N 0.87 0.00 0.00 0.00 3.38 -0.40 -3.46 115.31 115.71 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 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 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 0.17 1.43 3.76 0.83 0.00 -0.20 -4.93 105.19 106.24 1buj n GLY 33 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.52 2.68 -4.55 1.61 -0.00 -0.29 -4.98 117.44 111.40 1buj n TRP 34 Ca 0.00 0.44 -0.22 0.00 -0.00 0.00 0.00 57.50 57.72 1buj n TRP 34 Cb 0.00 -2.46 -0.15 0.00 -0.00 0.00 0.00 31.31 28.70 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 1.00 -1.10 5.87 1.01 -1.26 -4.42 120.40 120.30 1buj s VAL 35 Ca 0.62 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 62.03 1buj s VAL 35 Cb -0.45 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.09 1buj s VAL 35 CO 0.57 0.29 2.73 0.00 0.00 0.00 0.00 175.10 178.69 1buj n ALA 36 N 3.06 6.90 0.00 5.51 0.00 -1.26 -3.39 120.51 131.32 1buj n ALA 36 Ca -0.16 -3.53 0.00 0.00 0.00 0.00 0.00 53.44 49.75 1buj n ALA 36 Cb 0.55 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 17.23 1buj n ALA 36 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1buj n SER 37 N 2.10 -0.01 -0.07 0.00 7.64 -1.26 -5.02 113.62 117.00 1buj n SER 37 Ca 0.62 0.03 -0.07 0.00 1.01 0.00 0.00 58.87 60.46 1buj n SER 37 Cb 0.37 0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.58 1buj n SER 37 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1buj h LYS 38 N 0.00 0.00 -5.51 1.43 1.63 -1.99 -3.48 116.57 108.65 1buj h LYS 38 Ca 0.00 0.00 -0.51 0.00 -0.85 0.00 0.00 60.65 59.29 1buj h LYS 38 Cb 0.00 0.00 -0.29 0.00 -0.60 0.00 0.00 32.23 31.34 1buj h LYS 38 CO 0.00 0.29 -0.82 0.20 -3.45 0.00 0.00 179.45 175.67 1buj s GLY 39 N -4.04 0.80 0.92 5.01 0.00 -1.22 -5.05 107.32 103.74 1buj s GLY 39 Ca -0.11 -0.72 -0.12 0.00 0.00 0.00 0.00 44.72 43.77 1buj s GLY 39 CO 0.26 -0.61 1.09 0.54 0.00 0.00 0.00 173.10 174.37 1buj s ASN 40 N -0.49 3.26 -0.01 1.64 4.22 -1.26 -4.05 114.94 118.25 1buj s ASN 40 Ca 0.06 1.35 -0.22 0.00 -2.14 0.00 0.00 52.86 51.92 1buj s ASN 40 Cb -0.06 -2.03 -0.13 0.00 1.28 0.00 0.00 41.25 40.31 1buj s ASN 40 CO -0.00 -2.75 0.93 0.25 -2.04 0.00 0.00 177.10 173.48 1buj h LEU 41 N -1.63 -0.56 -2.02 3.54 5.85 -1.91 -3.16 115.31 115.42 1buj h LEU 41 Ca -0.51 -0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.32 1buj h LEU 41 Cb 1.30 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.46 1buj h LEU 41 CO 0.56 -0.15 0.41 0.00 -0.34 0.00 0.00 178.44 178.92 1buj h ALA 42 N -0.99 2.38 -0.13 1.25 0.00 -1.84 0.12 119.26 120.05 1buj h ALA 42 Ca -0.07 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1buj h ALA 42 Cb 0.57 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1buj h ALA 42 CO 0.11 -0.67 0.02 1.49 0.00 0.00 0.00 179.25 180.20 1buj h GLU 43 N 0.00 0.07 0.04 0.00 4.22 -1.94 -2.40 114.58 114.57 1buj h GLU 43 Ca 0.24 -0.00 -0.35 0.00 0.08 0.00 0.00 59.36 59.33 1buj h GLU 43 Cb 1.06 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 1buj h GLU 43 CO -0.00 0.04 -2.09 0.28 -2.18 0.00 0.00 179.01 175.06 1buj n VAL 44 N -5.09 1.59 -3.68 0.32 0.31 0.19 -4.61 118.33 107.36 1buj n VAL 44 Ca -0.04 -0.72 -0.29 0.00 -0.01 0.00 0.00 64.34 63.28 1buj n VAL 44 Cb 0.07 -1.20 -0.12 0.00 -0.91 0.00 0.00 33.84 31.68 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 -2.55 2.30 0.63 3.52 0.00 0.07 -4.91 121.76 120.84 1buj s ALA 45 Ca -0.17 -2.79 -0.14 0.00 0.00 0.00 0.00 51.96 48.86 1buj s ALA 45 Cb 0.07 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 1buj s ALA 45 CO 0.76 -2.05 1.05 -1.25 0.00 0.00 0.00 175.76 174.27 1buj s PRO 46 N -0.04 3.20 0.00 0.00 0.04 -0.90 -3.57 135.00 133.73 1buj s PRO 46 Ca 0.22 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1buj s PRO 46 Cb -0.15 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1buj s PRO 46 CO -0.07 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.49 1buj n GLY 47 N -1.46 0.88 3.08 0.56 0.00 -1.26 -4.95 105.19 102.04 1buj n GLY 47 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.11 1.43 0.54 1.61 3.01 -1.23 -4.90 119.74 120.08 1buj s LYS 48 Ca 0.00 -0.49 0.03 0.00 -1.01 0.00 0.00 55.97 54.50 1buj s LYS 48 Cb 0.00 -1.28 0.03 0.00 -1.01 0.00 0.00 37.83 35.57 1buj s LYS 48 CO 0.00 0.20 0.21 0.43 0.51 0.00 0.00 175.35 176.70 1buj n SER 49 N 3.18 3.10 -4.88 2.83 7.64 -1.07 -4.71 113.62 119.71 1buj n SER 49 Ca -0.18 -3.09 -0.31 0.00 1.01 0.00 0.00 58.87 56.30 1buj n SER 49 Cb 0.54 0.15 -0.05 0.00 -1.01 0.00 0.00 64.21 63.84 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 -2.82 4.95 -0.09 0.44 -1.09 -1.26 -0.80 121.20 120.53 1buj s ILE 50 Ca 0.16 0.35 -0.32 0.00 -2.23 0.00 0.00 60.65 58.61 1buj s ILE 50 Cb -0.01 -3.66 0.13 0.00 -1.58 0.00 0.00 42.46 37.34 1buj s ILE 50 CO 0.10 -0.17 1.29 -0.83 -1.23 0.00 0.00 174.94 174.11 1buj s GLY 51 N -2.63 -0.38 0.00 6.18 0.00 0.30 -1.96 107.32 108.83 1buj s GLY 51 Ca 0.46 1.05 0.00 0.00 0.00 0.00 0.00 44.72 46.24 1buj s GLY 51 CO 0.24 0.28 0.00 0.61 0.00 0.00 0.00 173.10 174.23 1buj n GLY 52 N -0.35 0.81 3.88 0.20 0.00 -0.96 -4.18 105.19 104.60 1buj n GLY 52 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.04 6.38 0.30 1.61 1.01 -1.20 -4.90 116.67 117.83 1buj s ASP 53 Ca 0.00 1.17 -0.26 0.00 0.71 0.00 0.00 52.55 54.17 1buj s ASP 53 Cb 0.00 -2.35 -0.10 0.00 1.01 0.00 0.00 42.92 41.49 1buj s ASP 53 CO 0.00 -0.58 0.92 -0.69 0.21 0.00 0.00 175.17 175.03 1buj s VAL 54 N -2.70 4.23 -0.03 -1.27 1.01 -1.26 -0.71 120.40 119.67 1buj s VAL 54 Ca 0.51 1.81 -0.00 0.00 0.00 0.00 0.00 61.98 64.30 1buj s VAL 54 Cb -0.10 -4.05 -0.26 0.00 0.00 0.00 0.00 36.38 31.97 1buj s VAL 54 CO 0.41 0.21 0.72 0.15 0.00 0.00 0.00 175.10 176.59 1buj h PHE 55 N 3.37 0.36 -4.97 5.22 3.57 -1.79 -3.42 116.94 119.28 1buj h PHE 55 Ca -0.47 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 60.77 1buj h PHE 55 Cb 1.19 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1buj h PHE 55 CO 0.62 1.38 -0.54 0.43 -2.23 0.00 0.00 178.31 177.97 1buj n SER 56 N -3.37 -7.25 -4.57 0.41 7.64 -1.26 -4.82 113.62 100.39 1buj n SER 56 Ca -0.20 0.65 -0.42 0.00 1.01 0.00 0.00 58.87 59.91 1buj n SER 56 Cb 1.04 -4.86 -0.01 0.00 -1.01 0.00 0.00 64.21 59.38 1buj n SER 56 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1buj s ASN 57 N -2.19 6.73 0.75 6.43 3.84 -1.26 -4.96 114.94 124.28 1buj s ASN 57 Ca 0.17 -2.13 -0.10 0.00 0.21 0.00 0.00 52.86 51.01 1buj s ASN 57 Cb -0.05 -2.57 0.07 0.00 -0.55 0.00 0.00 41.25 38.15 1buj s ASN 57 CO 0.68 -1.27 1.10 -0.13 -2.79 0.00 0.00 177.10 174.69 1buj s ARG 58 N 4.39 2.14 0.91 0.43 3.00 -1.26 -4.54 118.95 124.03 1buj s ARG 58 Ca 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 55.73 56.22 1buj s ARG 58 Cb 0.02 -2.05 0.00 0.00 0.00 0.00 0.00 34.95 32.92 1buj s ARG 58 CO 0.02 -1.39 0.00 0.39 0.00 0.00 0.00 175.30 174.32 1buj n GLU 59 N -3.11 0.00 0.00 3.54 4.71 -1.26 -3.53 120.64 120.99 1buj n GLU 59 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.23 1buj n GLU 59 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.03 1buj n GLU 59 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1buj n GLY 60 N 0.00 -1.06 0.00 0.62 0.00 -1.26 -5.11 105.19 98.37 1buj n GLY 60 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 -2.98 1.61 1.74 -1.23 -4.85 116.66 110.94 1buj n ARG 61 Ca 0.00 0.30 -0.29 0.00 -0.77 0.00 0.00 57.85 57.09 1buj n ARG 61 Cb 0.00 -0.80 -0.03 0.00 -1.02 0.00 0.00 32.46 30.62 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 -2.78 3.87 1.02 0.55 1.43 -1.26 -5.08 118.68 116.43 1buj s LEU 62 Ca 0.00 0.94 -0.16 0.00 -1.03 0.00 0.00 54.13 53.89 1buj s LEU 62 Cb 0.00 -3.82 0.21 0.00 0.03 0.00 0.00 46.19 42.61 1buj s LEU 62 CO 0.00 -0.37 1.19 -2.16 0.23 0.00 0.00 176.35 175.24 1buj s PRO 63 N -3.94 0.22 -0.54 1.29 0.04 -1.26 -4.62 135.00 126.19 1buj s PRO 63 Ca 0.48 -0.06 -0.16 0.00 0.04 0.00 0.00 61.00 61.30 1buj s PRO 63 Cb -0.10 -1.76 0.02 0.00 0.04 0.00 0.00 34.50 32.69 1buj s PRO 63 CO 0.33 -2.75 0.64 0.43 0.04 0.00 0.00 177.00 175.69 1buj n SER 64 N -4.08 -7.10 -2.99 6.66 7.64 -1.26 -4.96 113.62 107.53 1buj n SER 64 Ca 0.12 0.11 -0.14 0.00 1.01 0.00 0.00 58.87 59.96 1buj n SER 64 Cb 0.59 -4.21 -0.00 0.00 -1.01 0.00 0.00 64.21 59.58 1buj n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1buj n ALA 65 N -0.81 2.45 -3.32 -0.43 0.00 -1.26 -4.65 120.51 112.49 1buj n ALA 65 Ca 0.01 -3.24 -0.25 0.00 0.00 0.00 0.00 53.44 49.95 1buj n ALA 65 Cb 0.54 -0.94 -0.09 0.00 0.00 0.00 0.00 19.45 18.96 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 0.15 -0.49 0.00 0.00 7.64 -1.26 -4.75 113.62 114.91 1buj n SER 66 Ca 0.19 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.59 1buj n SER 66 Cb 0.72 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 2.51 0.65 3.54 0.23 0.00 -1.26 -5.07 105.19 105.79 1buj n GLY 67 Ca 0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.87 3.34 0.22 1.61 3.52 -1.26 -5.11 118.95 120.40 1buj s ARG 68 Ca 0.00 -0.52 0.05 0.00 -0.13 0.00 0.00 55.73 55.12 1buj s ARG 68 Cb 0.00 -2.80 -0.03 0.00 -1.56 0.00 0.00 34.95 30.55 1buj s ARG 68 CO 0.00 0.41 0.33 0.99 -0.81 0.00 0.00 175.30 176.22 1buj s THR 69 N -0.09 5.22 0.05 4.11 2.01 -1.26 -4.50 115.64 121.18 1buj s THR 69 Ca 0.02 -0.94 0.06 0.00 0.31 0.00 0.00 61.69 61.13 1buj s THR 69 Cb -0.13 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 1buj s THR 69 CO 0.03 -0.27 -0.16 0.26 -0.69 0.00 0.00 174.62 173.78 1buj s TRP 70 N -1.93 1.43 0.04 4.92 0.52 -1.26 -1.49 118.94 121.17 1buj s TRP 70 Ca 0.34 -0.37 0.02 0.00 0.02 0.00 0.00 56.10 56.11 1buj s TRP 70 Cb -0.09 -0.84 -0.02 0.00 -1.15 0.00 0.00 33.47 31.36 1buj s TRP 70 CO 0.29 0.06 -0.06 1.03 0.02 0.00 0.00 176.95 178.29 1buj s ARG 71 N -1.24 0.50 0.40 4.98 0.52 -0.65 -2.48 118.95 120.98 1buj s ARG 71 Ca 0.03 -0.78 0.08 0.00 -0.52 0.00 0.00 55.73 54.54 1buj s ARG 71 Cb -0.08 -0.17 -0.05 0.00 0.52 0.00 0.00 34.95 35.17 1buj s ARG 71 CO 0.02 0.02 0.18 -1.83 0.02 0.00 0.00 175.30 173.71 1buj s GLU 72 N -1.80 2.27 0.02 3.54 -1.05 0.12 -1.34 118.70 120.45 1buj s GLU 72 Ca -0.09 -1.76 -0.28 0.00 -0.15 0.00 0.00 54.97 52.69 1buj s GLU 72 Cb -0.08 -2.05 0.07 0.00 -0.44 0.00 0.00 34.13 31.62 1buj s GLU 72 CO -0.01 -0.07 0.64 0.00 0.95 0.00 0.00 175.26 176.77 1buj s ALA 73 N -2.55 -1.68 0.36 -0.84 0.00 -0.20 -2.27 121.76 114.58 1buj s ALA 73 Ca 0.41 1.01 -0.26 0.00 0.00 0.00 0.00 51.96 53.12 1buj s ALA 73 Cb 0.02 0.29 -0.09 0.00 0.00 0.00 0.00 23.12 23.33 1buj s ALA 73 CO 0.23 -0.49 1.05 -0.51 0.00 0.00 0.00 175.76 176.04 1buj s ASP 74 N -1.70 6.97 -0.13 0.00 1.11 -0.83 -0.98 116.67 121.11 1buj s ASP 74 Ca -0.07 2.08 0.03 0.00 0.18 0.00 0.00 52.55 54.77 1buj s ASP 74 Cb -0.00 -2.60 0.01 0.00 1.07 0.00 0.00 42.92 41.40 1buj s ASP 74 CO 0.02 -0.35 -0.22 -0.63 1.18 0.00 0.00 175.17 175.18 1buj s ILE 75 N -1.50 2.00 0.00 0.77 -1.09 -0.68 -4.75 121.20 115.94 1buj s ILE 75 Ca 0.53 -0.95 0.00 0.00 -2.23 0.00 0.00 60.65 58.00 1buj s ILE 75 Cb -0.25 -1.76 0.00 0.00 -1.58 0.00 0.00 42.46 38.88 1buj s ILE 75 CO 0.31 0.54 0.00 0.59 -1.23 0.00 0.00 174.94 175.15 1buj n ASN 76 N 3.94 0.00 -3.19 3.58 3.02 0.52 -4.68 115.26 118.44 1buj n ASN 76 Ca -0.20 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.26 1buj n ASN 76 Cb 0.52 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.70 1buj n ASN 76 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1buj n TYR 77 N 0.00 -1.29 -0.08 3.10 4.19 -1.26 -4.98 117.16 116.84 1buj n TYR 77 Ca 0.00 0.55 -0.11 0.00 3.31 0.00 0.00 57.90 61.65 1buj n TYR 77 Cb 0.00 -1.70 -0.07 0.00 0.49 0.00 0.00 39.34 38.06 1buj n TYR 77 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1buj n VAL 78 N 0.80 0.93 -0.69 2.97 0.31 -1.26 -5.01 118.33 116.38 1buj n VAL 78 Ca -0.02 -0.35 -0.32 0.00 -0.01 0.00 0.00 64.34 63.65 1buj n VAL 78 Cb 0.48 -1.09 0.16 0.00 -0.91 0.00 0.00 33.84 32.48 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 -3.00 -1.20 0.00 4.52 3.41 -1.26 -5.02 113.62 111.07 1buj n SER 79 Ca -0.29 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1buj n SER 79 Cb 0.80 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 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 1.05 -0.15 3.15 5.00 0.00 -1.26 -4.91 105.19 108.07 1buj n GLY 80 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1buj n GLY 80 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1buj n PHE 81 N 0.00 -3.69 -1.69 1.61 3.72 -1.26 -4.61 117.46 111.55 1buj n PHE 81 Ca 0.00 -0.74 -0.43 0.00 -0.05 0.00 0.00 57.45 56.22 1buj n PHE 81 Cb 0.00 -1.26 -0.01 0.00 -0.94 0.00 0.00 39.48 37.27 1buj n PHE 81 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1buj n ARG 82 N -5.40 2.12 -3.20 -1.08 5.12 -1.26 -4.91 116.66 108.05 1buj n ARG 82 Ca 0.13 0.75 -0.20 0.00 -1.93 0.00 0.00 57.85 56.60 1buj n ARG 82 Cb 0.57 -2.37 0.01 0.00 -1.16 0.00 0.00 32.46 29.51 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 -0.02 5.82 -0.11 0.55 4.22 -1.26 -5.02 114.94 119.12 1buj s ASN 83 Ca 0.61 -0.07 0.05 0.00 -2.14 0.00 0.00 52.86 51.31 1buj s ASN 83 Cb -0.60 -1.20 -0.24 0.00 1.28 0.00 0.00 41.25 40.49 1buj s ASN 83 CO 0.56 -0.62 0.40 0.00 -2.04 0.00 0.00 177.10 175.41 1buj n ALA 84 N -1.86 1.27 -2.44 3.54 0.00 -1.26 -4.86 120.51 114.89 1buj n ALA 84 Ca 0.02 -0.80 -0.43 0.00 0.00 0.00 0.00 53.44 52.23 1buj n ALA 84 Cb 0.58 -0.64 -0.02 0.00 0.00 0.00 0.00 19.45 19.37 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 -6.41 6.75 -0.00 0.00 1.11 -1.26 -3.58 116.67 113.28 1buj s ASP 85 Ca -0.15 1.28 -0.10 0.00 0.18 0.00 0.00 52.55 53.76 1buj s ASP 85 Cb 0.07 -2.54 0.01 0.00 1.07 0.00 0.00 42.92 41.53 1buj s ASP 85 CO 0.78 -1.00 0.21 -0.13 1.18 0.00 0.00 175.17 176.21 1buj s ARG 86 N 3.99 0.57 -0.12 8.23 0.52 -0.34 -1.69 118.95 130.12 1buj s ARG 86 Ca 0.55 -0.33 -0.01 0.00 -0.52 0.00 0.00 55.73 55.42 1buj s ARG 86 Cb -0.17 0.24 -0.02 0.00 0.52 0.00 0.00 34.95 35.52 1buj s ARG 86 CO 0.21 -0.15 -0.09 -1.17 0.02 0.00 0.00 175.30 174.12 1buj s LEU 87 N -1.40 2.99 -0.12 2.53 2.96 -0.15 -1.77 118.68 123.71 1buj s LEU 87 Ca -0.14 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1buj s LEU 87 Cb -0.06 -1.68 0.02 0.00 0.50 0.00 0.00 46.19 44.96 1buj s LEU 87 CO 0.02 0.23 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.43 1buj s VAL 88 N -0.01 1.62 0.06 1.68 1.01 -0.15 -1.04 120.40 123.57 1buj s VAL 88 Ca -0.01 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.31 1buj s VAL 88 Cb -0.14 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1buj s VAL 88 CO 0.03 0.47 -0.14 -0.72 0.00 0.00 0.00 175.10 174.74 1buj s TYR 89 N 1.04 1.23 0.79 5.22 1.13 -0.45 -1.02 117.35 125.29 1buj s TYR 89 Ca -0.05 -0.42 -0.03 0.00 -1.41 0.00 0.00 57.07 55.16 1buj s TYR 89 Cb -0.15 -0.71 0.16 0.00 -1.10 0.00 0.00 41.96 40.17 1buj s TYR 89 CO -0.03 0.05 1.08 -1.54 -2.51 0.00 0.00 175.55 172.60 1buj s SER 90 N -1.54 3.95 0.11 -0.18 1.04 -0.71 -1.63 113.70 114.74 1buj s SER 90 Ca -0.01 -0.38 -0.18 0.00 0.48 0.00 0.00 55.95 55.87 1buj s SER 90 Cb -0.09 0.16 -0.05 0.00 0.10 0.00 0.00 66.02 66.14 1buj s SER 90 CO 0.02 -2.15 1.62 0.28 0.98 0.00 0.00 173.24 173.99 1buj h SER 91 N -0.80 0.44 -0.46 7.02 0.02 -1.61 -2.25 113.55 115.91 1buj h SER 91 Ca -0.36 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 1buj h SER 91 Cb 1.25 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1buj h SER 91 CO 0.36 0.54 0.00 -0.90 -1.14 0.00 0.00 176.83 175.69 1buj n ASP 92 N -4.69 3.58 -1.83 3.07 5.75 -1.26 -4.91 116.55 116.26 1buj n ASP 92 Ca -0.02 -2.34 -0.06 0.00 -0.01 0.00 0.00 54.79 52.36 1buj n ASP 92 Cb 0.17 -0.50 0.03 0.00 -1.03 0.00 0.00 41.12 39.79 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 0.71 -0.73 -3.49 2.11 7.02 -0.85 -5.02 117.44 117.19 1buj n TRP 93 Ca 0.18 0.31 -0.38 0.00 -1.02 0.00 0.00 57.50 56.59 1buj n TRP 93 Cb 0.69 -3.02 -0.09 0.00 -2.42 0.00 0.00 31.31 26.46 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 -3.47 4.09 -0.08 -0.99 1.43 -1.26 -4.86 118.68 113.53 1buj s LEU 94 Ca 0.01 0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 1buj s LEU 94 Cb -0.00 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 1buj s LEU 94 CO 0.24 -0.07 -0.18 -0.63 0.23 0.00 0.00 176.35 175.94 1buj s ILE 95 N 1.56 2.69 0.03 -0.59 1.01 -1.26 -1.74 121.20 122.90 1buj s ILE 95 Ca 0.13 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1buj s ILE 95 Cb -0.15 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.24 1buj s ILE 95 CO 0.08 0.56 -0.05 -0.31 0.00 0.00 0.00 174.94 175.22 1buj s TYR 96 N -0.10 0.47 0.18 3.97 1.51 -0.19 -1.41 117.35 121.79 1buj s TYR 96 Ca -0.03 -0.52 0.08 0.00 -1.01 0.00 0.00 57.07 55.59 1buj s TYR 96 Cb -0.14 -0.30 -0.04 0.00 -0.11 0.00 0.00 41.96 41.37 1buj s TYR 96 CO 0.04 -0.14 -0.05 -1.59 -1.11 0.00 0.00 175.55 172.70 1buj s LYS 97 N -1.55 2.23 -0.16 -0.62 -2.85 -0.32 -0.98 119.74 115.50 1buj s LYS 97 Ca -0.13 -1.19 -0.09 0.00 -1.00 0.00 0.00 55.97 53.56 1buj s LYS 97 Cb -0.10 -2.26 0.06 0.00 -2.06 0.00 0.00 37.83 33.47 1buj s LYS 97 CO -0.00 0.44 0.39 -0.08 0.10 0.00 0.00 175.35 176.20 1buj s THR 98 N -1.73 -0.03 -0.54 3.79 -1.32 -0.73 -2.39 115.64 112.70 1buj s THR 98 Ca 0.26 0.10 0.23 0.00 -1.21 0.00 0.00 61.69 61.06 1buj s THR 98 Cb -0.09 -0.58 -0.15 0.00 -1.51 0.00 0.00 72.50 70.18 1buj s THR 98 CO 0.17 0.04 0.94 0.35 -2.21 0.00 0.00 174.62 173.91 1buj n THR 99 N 4.20 0.16 -0.04 5.08 -2.24 -1.26 -1.19 114.28 118.99 1buj n THR 99 Ca -0.23 -0.28 0.03 0.00 -2.27 0.00 0.00 64.05 61.30 1buj n THR 99 Cb 0.55 0.21 0.07 0.00 -2.10 0.00 0.00 70.33 69.06 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 -2.01 2.33 -2.51 3.42 5.68 -1.26 -3.99 116.55 118.21 1buj n ASP 100 Ca 0.01 -1.89 -0.02 0.00 -0.50 0.00 0.00 54.79 52.39 1buj n ASP 100 Cb 0.45 -0.10 -0.02 0.00 -1.14 0.00 0.00 41.12 40.31 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 0.06 -3.67 -1.75 2.11 -0.00 -1.23 -4.05 115.22 106.69 1buj n HIS 101 Ca 0.06 1.85 -0.20 0.00 -0.00 0.00 0.00 57.72 59.42 1buj n HIS 101 Cb 0.31 -3.67 -0.07 0.00 -0.00 0.00 0.00 29.99 26.56 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 0.96 -0.22 -0.08 1.57 4.02 -1.26 -4.75 117.16 117.40 1buj n TYR 102 Ca -0.15 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.66 1buj n TYR 102 Cb 0.23 -3.53 -0.03 0.00 -0.02 0.00 0.00 39.34 36.00 1buj n TYR 102 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1buj n ALA 103 N 0.68 0.87 -2.25 -0.72 0.00 -1.26 -5.07 120.51 112.77 1buj n ALA 103 Ca -0.21 -0.76 -0.14 0.00 0.00 0.00 0.00 53.44 52.33 1buj n ALA 103 Cb 0.67 0.03 -0.10 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.75 0.51 0.04 0.00 -4.23 -1.26 -5.15 115.64 102.81 1buj s THR 104 Ca -0.26 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 58.26 1buj s THR 104 Cb 0.04 -2.32 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 1buj s THR 104 CO 0.39 -0.27 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.81 1buj s PHE 105 N -3.78 0.42 -0.03 3.99 0.08 -1.26 -4.60 117.98 112.80 1buj s PHE 105 Ca 0.30 -0.87 -0.01 0.00 0.12 0.00 0.00 56.93 56.47 1buj s PHE 105 Cb 0.07 -0.31 0.02 0.00 -0.57 0.00 0.00 43.02 42.23 1buj s PHE 105 CO 0.08 -0.32 0.05 0.99 -0.10 0.00 0.00 175.22 175.92 1buj s THR 106 N -3.11 -0.04 0.27 0.64 2.01 -1.01 -4.96 115.64 109.45 1buj s THR 106 Ca -0.01 0.15 -0.29 0.00 0.31 0.00 0.00 61.69 61.85 1buj s THR 106 Cb 0.02 -0.10 -0.09 0.00 0.01 0.00 0.00 72.50 72.33 1buj s THR 106 CO -0.07 0.06 1.18 -0.60 -0.69 0.00 0.00 174.62 174.50 1buj s ARG 107 N 0.79 4.53 -0.14 4.92 3.52 -1.26 -1.17 118.95 130.14 1buj s ARG 107 Ca -0.06 1.93 0.03 0.00 -0.13 0.00 0.00 55.73 57.49 1buj s ARG 107 Cb -0.09 -3.17 -0.11 0.00 -1.56 0.00 0.00 34.95 30.02 1buj s ARG 107 CO -0.03 0.04 -0.09 0.44 -0.81 0.00 0.00 175.30 174.84 1buj n ILE 108 N 1.45 0.85 -1.39 4.11 -6.64 -0.50 -4.93 119.36 112.32 1buj n ILE 108 Ca 0.01 -0.37 0.00 0.00 -1.77 0.00 0.00 62.75 60.62 1buj n ILE 108 Cb 0.44 -0.96 0.00 0.00 -1.44 0.00 0.00 39.64 37.68 1buj n ILE 108 CO 0.00 0.00 0.00 -1.14 -1.77 0.00 0.00 176.55 173.64