#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 0.57 0.09 0.00 -7.23 -1.26 -5.15 120.40 107.42 1buj s VAL 2 Ca 0.00 -1.98 -0.18 0.00 -1.81 0.00 0.00 61.98 58.01 1buj s VAL 2 Cb 0.00 -2.31 -0.07 0.00 0.56 0.00 0.00 36.38 34.56 1buj s VAL 2 CO 0.00 -0.29 0.55 -0.63 -0.31 0.00 0.00 175.10 174.42 1buj s ILE 3 N -3.74 4.78 -0.28 -0.62 1.01 -1.26 -4.96 121.20 116.14 1buj s ILE 3 Ca 0.29 1.11 0.11 0.00 0.00 0.00 0.00 60.65 62.16 1buj s ILE 3 Cb 0.07 -3.85 0.34 0.00 0.01 0.00 0.00 42.46 39.03 1buj s ILE 3 CO 0.07 0.49 1.44 -0.46 0.00 0.00 0.00 174.94 176.48 1buj n ASN 4 N 1.52 -1.30 -4.82 3.58 6.94 -1.26 -4.94 115.26 114.98 1buj n ASN 4 Ca -0.09 -2.17 -0.24 0.00 -0.02 0.00 0.00 54.58 52.05 1buj n ASN 4 Cb 0.51 0.59 -0.05 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 0.01 2.29 0.03 5.53 -4.23 -1.26 -2.11 115.64 115.90 1buj s THR 5 Ca 0.08 -1.53 -0.24 0.00 -1.18 0.00 0.00 61.69 58.81 1buj s THR 5 Cb 0.37 -2.82 -0.17 0.00 1.34 0.00 0.00 72.50 71.21 1buj s THR 5 CO -0.10 0.00 1.47 -0.26 -0.54 0.00 0.00 174.62 175.18 1buj h PHE 6 N 1.15 0.04 -0.10 3.99 0.04 -1.97 -0.83 116.94 119.26 1buj h PHE 6 Ca -0.41 -0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.20 1buj h PHE 6 Cb 1.27 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.40 1buj h PHE 6 CO 0.67 0.31 -0.61 -0.44 -0.60 0.00 0.00 178.31 177.65 1buj h ASP 7 N -0.24 0.40 0.02 2.17 3.32 -1.98 -2.18 116.42 117.92 1buj h ASP 7 Ca 0.01 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1buj h ASP 7 Cb 0.30 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1buj h ASP 7 CO 0.00 0.91 -0.01 1.23 -1.72 0.00 0.00 179.24 179.65 1buj h GLY 8 N 1.32 -0.02 0.92 2.75 0.00 -1.95 -2.26 103.07 103.84 1buj h GLY 8 Ca -0.01 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.36 1buj h GLY 8 CO 0.10 -0.01 0.57 -2.08 0.00 0.00 0.00 176.54 175.12 1buj h VAL 9 N -0.73 1.17 -0.74 4.60 2.07 -1.24 -2.10 116.25 119.28 1buj h VAL 9 Ca -0.00 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.21 1buj h VAL 9 Cb 0.69 -0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 1buj h VAL 9 CO 0.00 0.20 0.48 0.00 0.02 0.00 0.00 177.57 178.28 1buj h ALA 10 N 1.34 1.73 -0.11 1.67 0.00 -1.31 -1.14 119.26 121.45 1buj h ALA 10 Ca 0.34 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1buj h ALA 10 Cb -0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1buj h ALA 10 CO -0.10 0.14 -0.01 -0.44 0.00 0.00 0.00 179.25 178.85 1buj h ASP 11 N 0.73 0.20 -0.28 0.00 5.19 -0.77 -3.20 116.42 118.30 1buj h ASP 11 Ca 0.32 -0.32 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1buj h ASP 11 Cb 0.32 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.75 1buj h ASP 11 CO -0.11 0.48 0.08 1.88 -3.12 0.00 0.00 179.24 178.44 1buj h TYR 12 N -0.08 0.53 0.17 4.55 0.05 -0.91 0.43 116.97 121.72 1buj h TYR 12 Ca 0.03 -0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.79 1buj h TYR 12 Cb 0.38 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 1buj h TYR 12 CO 0.04 0.47 -0.30 -0.07 -1.05 0.00 0.00 178.16 177.25 1buj h LEU 13 N 0.52 -0.83 -0.66 3.88 3.38 -1.36 -0.73 115.31 119.50 1buj h LEU 13 Ca 0.12 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.19 1buj h LEU 13 Cb 0.21 0.31 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1buj h LEU 13 CO -0.00 -0.40 0.44 0.40 0.09 0.00 0.00 178.44 178.97 1buj h ILE 14 N -0.55 1.17 0.48 1.22 1.08 -1.37 -0.50 117.51 119.04 1buj h ILE 14 Ca 0.02 -0.32 -0.02 0.00 -0.39 0.00 0.00 64.86 64.14 1buj h ILE 14 Cb 0.55 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.51 1buj h ILE 14 CO -0.14 0.17 -0.23 -0.09 -0.69 0.00 0.00 178.15 177.17 1buj h ARG 15 N 0.90 -0.62 -0.03 2.37 2.43 -0.26 -3.28 114.38 115.89 1buj h ARG 15 Ca 0.24 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1buj h ARG 15 Cb -0.10 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1buj h ARG 15 CO -0.05 -0.41 -0.06 0.66 -1.51 0.00 0.00 179.97 178.60 1buj n TYR 16 N -4.13 0.00 -2.04 2.20 4.01 -0.34 -4.93 117.16 111.93 1buj n TYR 16 Ca -0.08 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.59 1buj n TYR 16 Cb 0.25 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.28 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 1.05 -0.54 -3.77 -0.72 0.00 -0.22 -4.98 118.16 108.99 1buj n LYS 17 Ca 0.14 0.37 -0.01 0.00 0.00 0.00 0.00 58.31 58.81 1buj n LYS 17 Cb 0.56 -4.24 -0.00 0.00 0.00 0.00 0.00 35.03 31.35 1buj n LYS 17 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1buj s ARG 18 N -4.17 0.92 1.03 1.64 1.70 -1.08 -5.02 118.95 113.97 1buj s ARG 18 Ca 0.00 -0.54 -0.11 0.00 -0.47 0.00 0.00 55.73 54.60 1buj s ARG 18 Cb 0.00 0.29 0.21 0.00 -0.57 0.00 0.00 34.95 34.88 1buj s ARG 18 CO 0.00 -0.42 1.08 -0.51 -1.08 0.00 0.00 175.30 174.37 1buj s LEU 19 N -3.15 1.82 0.85 -1.89 1.43 -1.26 -3.18 118.68 113.29 1buj s LEU 19 Ca 0.17 1.79 -0.12 0.00 -1.03 0.00 0.00 54.13 54.94 1buj s LEU 19 Cb 0.00 -3.95 0.10 0.00 0.03 0.00 0.00 46.19 42.37 1buj s LEU 19 CO 0.01 -3.57 1.12 -2.16 0.23 0.00 0.00 176.35 171.97 1buj s PRO 20 N -4.60 1.66 0.00 1.29 0.04 -1.26 -4.90 135.00 127.23 1buj s PRO 20 Ca 0.67 0.48 0.18 0.00 0.04 0.00 0.00 61.00 62.38 1buj s PRO 20 Cb -0.23 -1.88 0.67 0.00 0.04 0.00 0.00 34.50 33.09 1buj s PRO 20 CO 0.61 -1.88 1.49 -3.47 0.04 0.00 0.00 177.00 173.79 1buj n ASP 21 N -3.58 1.63 0.00 6.66 2.03 -1.26 -2.99 116.55 119.04 1buj n ASP 21 Ca 0.07 -1.76 0.14 0.00 0.52 0.00 0.00 54.79 53.75 1buj n ASP 21 Cb 0.58 -0.13 0.60 0.00 -0.72 0.00 0.00 41.12 41.45 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 0.31 0.00 -4.36 1.67 6.94 -1.26 -4.66 115.26 113.91 1buj n ASN 22 Ca 0.15 0.47 -0.34 0.00 -0.02 0.00 0.00 54.58 54.84 1buj n ASN 22 Cb 0.31 -0.49 -0.14 0.00 -2.36 0.00 0.00 39.78 37.10 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 -2.98 2.90 0.38 -2.53 2.02 -1.16 -1.12 117.35 114.86 1buj s TYR 23 Ca 0.14 -0.75 0.08 0.00 -0.37 0.00 0.00 57.07 56.17 1buj s TYR 23 Cb 0.18 -1.97 -0.02 0.00 -0.40 0.00 0.00 41.96 39.75 1buj s TYR 23 CO 0.51 -0.35 0.37 0.96 -1.57 0.00 0.00 175.55 175.47 1buj s ILE 24 N 0.85 3.09 0.61 2.71 -4.36 -0.10 -4.74 121.20 119.26 1buj s ILE 24 Ca -0.02 -1.31 -0.09 0.00 -0.26 0.00 0.00 60.65 58.97 1buj s ILE 24 Cb -0.15 -3.09 -0.01 0.00 1.25 0.00 0.00 42.46 40.46 1buj s ILE 24 CO 0.01 -0.07 0.97 0.42 0.24 0.00 0.00 174.94 176.50 1buj s THR 25 N -2.38 4.17 0.26 8.37 -4.23 -1.25 -0.75 115.64 119.84 1buj s THR 25 Ca 0.46 0.43 -0.01 0.00 -1.18 0.00 0.00 61.69 61.38 1buj s THR 25 Cb -0.05 -3.67 0.24 0.00 1.34 0.00 0.00 72.50 70.37 1buj s THR 25 CO 0.28 -0.79 1.79 0.11 -0.54 0.00 0.00 174.62 175.47 1buj h LYS 26 N -0.26 0.71 -0.83 3.99 1.57 -1.95 -1.46 116.57 118.34 1buj h LYS 26 Ca -0.45 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.32 1buj h LYS 26 Cb 1.23 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 33.33 1buj h LYS 26 CO 0.62 0.47 0.55 0.77 -0.57 0.00 0.00 179.45 181.29 1buj h SER 27 N 0.73 0.90 -0.05 0.86 0.02 -1.99 0.03 113.55 114.05 1buj h SER 27 Ca 0.46 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.31 1buj h SER 27 Cb 0.56 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1buj h SER 27 CO -0.32 0.62 -0.29 1.56 -1.14 0.00 0.00 176.83 177.27 1buj h GLN 28 N 1.05 0.29 -0.67 3.45 1.08 -1.66 -0.95 115.11 117.68 1buj h GLN 28 Ca 0.33 -0.24 0.11 0.00 -1.45 0.00 0.00 58.65 57.39 1buj h GLN 28 Cb 0.00 0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 27.41 1buj h GLN 28 CO -0.09 0.89 0.28 0.00 -0.95 0.00 0.00 178.83 178.96 1buj h ALA 29 N 0.40 0.91 -0.57 3.87 0.00 -1.10 -1.86 119.26 120.90 1buj h ALA 29 Ca -0.02 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1buj h ALA 29 Cb 0.95 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1buj h ALA 29 CO 0.06 -0.16 -0.05 0.77 0.00 0.00 0.00 179.25 179.87 1buj h SER 30 N 0.47 1.03 -0.77 0.00 0.02 -0.80 -0.77 113.55 112.72 1buj h SER 30 Ca 0.35 -0.31 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1buj h SER 30 Cb 0.44 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 1buj h SER 30 CO -0.32 1.11 0.51 0.00 -1.14 0.00 0.00 176.83 176.98 1buj h ALA 31 N 0.99 1.47 0.00 3.77 0.00 -0.70 0.17 119.26 124.96 1buj h ALA 31 Ca 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1buj h ALA 31 Cb 0.61 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1buj h ALA 31 CO 0.04 0.49 -0.02 -0.07 0.00 0.00 0.00 179.25 179.68 1buj h LEU 32 N 1.02 0.00 0.00 0.00 3.38 -0.50 -3.46 115.31 115.75 1buj h LEU 32 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1buj h LEU 32 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1buj h LEU 32 CO -0.07 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.10 1buj n GLY 33 N 0.44 1.57 3.76 0.83 0.00 0.05 -4.94 105.19 106.90 1buj n GLY 33 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1buj n GLY 33 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1buj n TRP 34 N -0.51 2.58 -4.66 1.61 -0.00 -0.42 -4.98 117.44 111.06 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 -2.43 -0.15 0.00 -0.00 0.00 0.00 31.31 28.73 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 -1.22 1.36 -0.85 5.87 1.01 -1.25 -4.36 120.40 120.97 1buj s VAL 35 Ca 0.65 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 1buj s VAL 35 Cb -0.44 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 1buj s VAL 35 CO 0.55 0.25 2.86 0.00 0.00 0.00 0.00 175.10 178.76 1buj n ALA 36 N 2.30 6.76 0.09 5.51 0.00 -1.26 -3.74 120.51 130.16 1buj n ALA 36 Ca -0.16 -3.21 0.00 0.00 0.00 0.00 0.00 53.44 50.07 1buj n ALA 36 Cb 0.54 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.39 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 1.96 -1.63 -4.24 0.00 7.64 -1.26 -5.13 113.62 110.96 1buj n SER 37 Ca 0.57 0.42 -0.17 0.00 1.01 0.00 0.00 58.87 60.70 1buj n SER 37 Cb 0.47 1.75 -0.11 0.00 -1.01 0.00 0.00 64.21 65.32 1buj n SER 37 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1buj s LYS 38 N -2.00 1.02 -0.02 1.43 1.02 -1.25 -5.02 119.74 114.93 1buj s LYS 38 Ca 0.00 -1.27 -0.01 0.00 0.02 0.00 0.00 55.97 54.70 1buj s LYS 38 Cb 0.00 -0.83 0.00 0.00 -0.52 0.00 0.00 37.83 36.49 1buj s LYS 38 CO 0.00 0.15 0.03 0.41 -0.92 0.00 0.00 175.35 175.01 1buj n GLY 39 N 0.39 -3.58 3.64 -3.33 0.00 -1.26 -3.80 105.19 97.25 1buj n GLY 39 Ca -0.14 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.16 2.56 0.01 1.61 4.22 -1.26 -4.35 114.94 117.56 1buj s ASN 40 Ca -0.03 1.67 -0.25 0.00 -2.14 0.00 0.00 52.86 52.11 1buj s ASN 40 Cb 0.00 -2.31 -0.15 0.00 1.28 0.00 0.00 41.25 40.07 1buj s ASN 40 CO 0.08 -3.24 1.14 0.25 -2.04 0.00 0.00 177.10 173.28 1buj h LEU 41 N -1.96 -0.58 -2.11 3.54 5.85 -1.86 -3.08 115.31 115.10 1buj h LEU 41 Ca -0.52 -0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.23 1buj h LEU 41 Cb 1.30 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 1buj h LEU 41 CO 0.50 -0.21 0.28 0.00 -0.34 0.00 0.00 178.44 178.67 1buj h ALA 42 N -0.78 2.04 -0.17 1.25 0.00 -1.72 0.20 119.26 120.08 1buj h ALA 42 Ca -0.07 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1buj h ALA 42 Cb 0.61 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1buj h ALA 42 CO 0.12 -0.43 -0.05 1.49 0.00 0.00 0.00 179.25 180.37 1buj h GLU 43 N 0.00 -0.02 0.02 0.00 4.81 -1.91 -2.37 114.58 115.12 1buj h GLU 43 Ca 0.14 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 59.01 1buj h GLU 43 Cb 0.70 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.03 1buj h GLU 43 CO -0.00 -0.01 -2.25 0.28 -0.73 0.00 0.00 179.01 176.29 1buj n VAL 44 N -5.20 1.53 -3.73 0.32 0.31 0.48 -4.59 118.33 107.46 1buj n VAL 44 Ca -0.03 -0.71 -0.29 0.00 -0.01 0.00 0.00 64.34 63.31 1buj n VAL 44 Cb 0.12 -1.14 -0.12 0.00 -0.91 0.00 0.00 33.84 31.79 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 -2.53 2.55 0.24 3.52 0.00 0.07 -4.90 121.76 120.70 1buj s ALA 45 Ca -0.21 -2.94 -0.30 0.00 0.00 0.00 0.00 51.96 48.51 1buj s ALA 45 Cb 0.08 -1.94 -0.09 0.00 0.00 0.00 0.00 23.12 21.17 1buj s ALA 45 CO 0.73 -2.05 1.09 -1.25 0.00 0.00 0.00 175.76 174.28 1buj s PRO 46 N -0.19 4.63 0.00 0.00 0.04 -0.89 -3.97 135.00 134.62 1buj s PRO 46 Ca 0.22 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1buj s PRO 46 Cb -0.16 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1buj s PRO 46 CO -0.07 0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.55 1buj n GLY 47 N 1.57 0.64 3.36 0.56 0.00 -1.26 -5.03 105.19 105.03 1buj n GLY 47 Ca 0.00 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.76 1.01 0.11 1.61 0.00 -1.25 -4.93 119.74 114.53 1buj s LYS 48 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 55.97 55.61 1buj s LYS 48 Cb 0.00 0.46 0.00 0.00 0.00 0.00 0.00 37.83 38.29 1buj s LYS 48 CO 0.00 -0.37 0.03 0.43 0.00 0.00 0.00 175.35 175.44 1buj n SER 49 N 0.31 1.94 -4.83 0.03 7.64 -0.28 -4.82 113.62 113.62 1buj n SER 49 Ca -0.18 -1.44 -0.34 0.00 1.01 0.00 0.00 58.87 57.91 1buj n SER 49 Cb 0.61 0.04 -0.06 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 -1.07 4.54 -0.18 0.44 -1.09 -1.26 -0.92 121.20 121.65 1buj s ILE 50 Ca 0.03 1.25 -0.35 0.00 -2.23 0.00 0.00 60.65 59.34 1buj s ILE 50 Cb -0.00 -3.74 0.15 0.00 -1.58 0.00 0.00 42.46 37.29 1buj s ILE 50 CO 0.02 -0.04 1.42 -0.83 -1.23 0.00 0.00 174.94 174.27 1buj s GLY 51 N -1.98 -0.37 0.00 6.18 0.00 0.07 -2.45 107.32 108.77 1buj s GLY 51 Ca 0.51 1.39 0.00 0.00 0.00 0.00 0.00 44.72 46.62 1buj s GLY 51 CO 0.19 0.38 0.00 0.61 0.00 0.00 0.00 173.10 174.28 1buj n GLY 52 N -0.28 0.65 3.96 0.20 0.00 -0.29 -3.78 105.19 105.66 1buj n GLY 52 Ca -0.03 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.01 6.22 0.38 1.61 1.11 -1.21 -4.87 116.67 117.90 1buj s ASP 53 Ca 0.00 0.17 -0.22 0.00 0.18 0.00 0.00 52.55 52.68 1buj s ASP 53 Cb 0.00 -1.80 -0.10 0.00 1.07 0.00 0.00 42.92 42.09 1buj s ASP 53 CO 0.00 -0.24 0.93 -0.69 1.18 0.00 0.00 175.17 176.34 1buj s VAL 54 N -2.16 4.36 -0.80 -1.27 1.01 -1.26 -0.57 120.40 119.71 1buj s VAL 54 Ca 0.39 1.55 0.26 0.00 0.00 0.00 0.00 61.98 64.17 1buj s VAL 54 Cb -0.09 -3.73 0.12 0.00 0.00 0.00 0.00 36.38 32.68 1buj s VAL 54 CO 0.32 -0.15 1.54 0.33 0.00 0.00 0.00 175.10 177.14 1buj n PHE 55 N -0.21 0.43 -2.85 5.22 7.35 -0.92 -4.67 117.46 121.81 1buj n PHE 55 Ca 0.05 0.12 -0.08 0.00 -0.76 0.00 0.00 57.45 56.79 1buj n PHE 55 Cb 0.53 -0.61 0.01 0.00 0.35 0.00 0.00 39.48 39.76 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 -1.91 -7.90 -3.55 -2.13 2.88 -1.26 -4.97 113.62 94.77 1buj n SER 56 Ca 0.05 0.64 -0.25 0.00 -1.33 0.00 0.00 58.87 57.98 1buj n SER 56 Cb 0.40 -5.28 0.19 0.00 -0.75 0.00 0.00 64.21 58.77 1buj n SER 56 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1buj n ASN 57 N -0.15 -0.62 -1.15 -3.46 4.13 -1.26 -4.73 115.26 108.01 1buj n ASN 57 Ca 0.10 -1.29 -0.01 0.00 1.68 0.00 0.00 54.58 55.06 1buj n ASN 57 Cb 0.41 -0.87 0.00 0.00 -1.54 0.00 0.00 39.78 37.78 1buj n ASN 57 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1buj n ARG 58 N -3.75 -0.26 0.04 3.52 0.63 -1.26 -4.97 116.66 110.61 1buj n ARG 58 Ca 0.14 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 1buj n ARG 58 Cb 0.50 -2.54 0.00 0.00 0.45 0.00 0.00 32.46 30.87 1buj n ARG 58 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1buj n GLU 59 N -1.18 0.00 0.00 -0.14 2.13 -1.26 -5.09 120.64 115.09 1buj n GLU 59 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1buj n GLU 59 Cb 0.51 -0.30 0.00 0.00 0.27 0.00 0.00 31.44 31.92 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 2.53 -0.73 1.62 8.31 0.00 -1.26 -5.12 105.19 110.54 1buj n GLY 60 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.18 1.61 5.12 -1.26 -5.12 116.66 112.83 1buj n ARG 61 Ca 0.00 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.65 1buj n ARG 61 Cb 0.00 -0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.22 1buj n ARG 61 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1buj s LEU 62 N -5.04 3.37 -0.49 0.55 1.43 -1.26 -5.05 118.68 112.18 1buj s LEU 62 Ca 0.00 -0.33 -0.28 0.00 -1.03 0.00 0.00 54.13 52.49 1buj s LEU 62 Cb 0.00 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.19 1buj s LEU 62 CO 0.00 0.11 1.45 -2.16 0.23 0.00 0.00 176.35 175.98 1buj s PRO 63 N -2.79 3.38 0.26 1.29 0.04 -1.26 -4.88 135.00 131.04 1buj s PRO 63 Ca 0.27 0.71 0.06 0.00 0.04 0.00 0.00 61.00 62.07 1buj s PRO 63 Cb -0.10 -4.10 -0.03 0.00 0.04 0.00 0.00 34.50 30.31 1buj s PRO 63 CO 0.19 -1.82 0.35 0.45 0.04 0.00 0.00 177.00 176.20 1buj s SER 64 N 4.49 6.13 0.32 6.66 0.15 -1.26 -5.00 113.70 125.19 1buj s SER 64 Ca 0.58 -0.02 -0.19 0.00 0.70 0.00 0.00 55.95 57.02 1buj s SER 64 Cb -0.13 -1.69 0.03 0.00 -1.71 0.00 0.00 66.02 62.53 1buj s SER 64 CO 0.28 -0.12 0.74 0.00 1.20 0.00 0.00 173.24 175.35 1buj s ALA 65 N -2.04 -1.06 -0.40 5.45 0.00 -1.11 -5.02 121.76 117.59 1buj s ALA 65 Ca 0.35 -0.46 -0.27 0.00 0.00 0.00 0.00 51.96 51.59 1buj s ALA 65 Cb -0.09 0.79 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 1buj s ALA 65 CO 0.29 -1.02 2.26 -1.12 0.00 0.00 0.00 175.76 176.16 1buj s SER 66 N -2.97 4.95 0.00 0.00 0.01 -1.26 -0.81 113.70 113.61 1buj s SER 66 Ca 0.12 1.30 0.00 0.00 1.31 0.00 0.00 55.95 58.69 1buj s SER 66 Cb -0.06 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1buj s SER 66 CO 0.08 -2.45 0.00 0.61 0.41 0.00 0.00 173.24 171.89 1buj n GLY 67 N 5.86 1.86 3.26 3.44 0.00 -1.26 -5.05 105.19 113.31 1buj n GLY 67 Ca 0.32 0.00 -0.38 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 -0.57 2.58 0.17 1.61 3.52 0.01 -4.90 118.95 121.36 1buj s ARG 68 Ca 0.00 -1.30 0.10 0.00 -0.13 0.00 0.00 55.73 54.40 1buj s ARG 68 Cb 0.00 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 1buj s ARG 68 CO 0.00 -0.77 -0.20 0.99 -0.81 0.00 0.00 175.30 174.51 1buj s THR 69 N 1.39 2.01 0.05 4.11 2.01 -1.26 -2.75 115.64 121.21 1buj s THR 69 Ca 0.00 -1.95 0.06 0.00 0.31 0.00 0.00 61.69 60.12 1buj s THR 69 Cb -0.21 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 1buj s THR 69 CO 0.02 -0.23 -0.11 0.26 -0.69 0.00 0.00 174.62 173.87 1buj s TRP 70 N -1.88 2.75 0.01 4.92 0.52 -1.26 -1.16 118.94 122.85 1buj s TRP 70 Ca 0.17 -0.14 0.02 0.00 0.02 0.00 0.00 56.10 56.18 1buj s TRP 70 Cb -0.07 -1.50 -0.01 0.00 -1.15 0.00 0.00 33.47 30.74 1buj s TRP 70 CO 0.08 0.37 -0.07 1.03 0.02 0.00 0.00 176.95 178.37 1buj s ARG 71 N -1.76 0.53 0.35 4.98 0.52 -0.53 -2.16 118.95 120.89 1buj s ARG 71 Ca 0.18 -0.44 0.07 0.00 -0.52 0.00 0.00 55.73 55.03 1buj s ARG 71 Cb -0.11 -0.44 -0.02 0.00 0.52 0.00 0.00 34.95 34.89 1buj s ARG 71 CO 0.10 0.11 0.35 -1.83 0.02 0.00 0.00 175.30 174.04 1buj s GLU 72 N -0.71 2.76 -0.07 3.54 -1.05 0.26 -1.50 118.70 121.93 1buj s GLU 72 Ca -0.02 -1.29 -0.30 0.00 -0.15 0.00 0.00 54.97 53.21 1buj s GLU 72 Cb -0.05 -2.52 0.07 0.00 -0.44 0.00 0.00 34.13 31.18 1buj s GLU 72 CO 0.00 0.02 0.68 0.00 0.95 0.00 0.00 175.26 176.91 1buj s ALA 73 N -2.32 -1.75 0.33 -0.84 0.00 -0.09 -1.14 121.76 115.95 1buj s ALA 73 Ca 0.43 1.35 -0.27 0.00 0.00 0.00 0.00 51.96 53.48 1buj s ALA 73 Cb -0.06 -0.08 -0.09 0.00 0.00 0.00 0.00 23.12 22.88 1buj s ALA 73 CO 0.28 -0.37 1.03 -0.51 0.00 0.00 0.00 175.76 176.19 1buj s ASP 74 N -1.08 7.12 -0.11 0.00 1.11 -1.03 -1.05 116.67 121.64 1buj s ASP 74 Ca -0.10 2.04 0.02 0.00 0.18 0.00 0.00 52.55 54.69 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 0.09 -0.23 -0.17 -0.63 1.18 0.00 0.00 175.17 175.41 1buj s ILE 75 N -1.47 1.60 -0.86 0.77 -1.09 -0.62 -4.78 121.20 114.75 1buj s ILE 75 Ca 0.51 -0.72 -0.04 0.00 -2.23 0.00 0.00 60.65 58.17 1buj s ILE 75 Cb -0.24 -1.45 0.00 0.00 -1.58 0.00 0.00 42.46 39.19 1buj s ILE 75 CO 0.31 0.46 0.65 0.59 -1.23 0.00 0.00 174.94 175.71 1buj n ASN 76 N 4.06 -5.46 -3.18 3.58 3.02 -0.90 -4.61 115.26 111.76 1buj n ASN 76 Ca -0.20 -0.81 0.02 0.00 -0.03 0.00 0.00 54.58 53.57 1buj n ASN 76 Cb 0.52 -2.59 -0.01 0.00 -0.61 0.00 0.00 39.78 37.09 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 -3.07 -1.78 -0.16 3.10 6.14 -1.26 -4.92 117.35 115.40 1buj s TYR 77 Ca 0.08 0.67 -0.00 0.00 0.64 0.00 0.00 57.07 58.46 1buj s TYR 77 Cb -0.03 0.30 -0.10 0.00 0.42 0.00 0.00 41.96 42.55 1buj s TYR 77 CO 0.87 -1.13 -0.15 0.28 0.64 0.00 0.00 175.55 176.06 1buj n VAL 78 N 4.94 0.92 -0.57 3.14 0.31 -1.26 -4.69 118.33 121.12 1buj n VAL 78 Ca 0.08 -0.34 -0.30 0.00 -0.01 0.00 0.00 64.34 63.77 1buj n VAL 78 Cb 0.55 -1.16 0.22 0.00 -0.91 0.00 0.00 33.84 32.54 1buj n VAL 78 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1buj n SER 79 N -3.07 -1.09 -3.29 4.52 7.64 -1.26 -4.13 113.62 112.93 1buj n SER 79 Ca -0.29 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.66 1buj n SER 79 Cb 0.79 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 1buj n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1buj n GLY 80 N 0.86 -0.53 0.45 0.23 0.00 -1.26 -4.77 105.19 100.17 1buj n GLY 80 Ca 0.06 -1.38 0.03 0.00 0.00 0.00 0.00 46.02 44.74 1buj n GLY 80 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1buj n PHE 81 N -0.06 -0.66 -2.85 1.61 3.72 -1.26 -4.90 117.46 113.06 1buj n PHE 81 Ca 0.00 0.34 -0.25 0.00 -0.05 0.00 0.00 57.45 57.49 1buj n PHE 81 Cb 0.00 -0.60 0.01 0.00 -0.94 0.00 0.00 39.48 37.95 1buj n PHE 81 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1buj s ARG 82 N -2.07 3.25 0.81 -1.08 1.81 -1.26 -4.94 118.95 115.47 1buj s ARG 82 Ca 0.00 -0.17 -0.12 0.00 -1.72 0.00 0.00 55.73 53.72 1buj s ARG 82 Cb 0.00 -2.47 0.09 0.00 -0.45 0.00 0.00 34.95 32.11 1buj s ARG 82 CO 0.00 -0.26 1.15 0.54 -0.68 0.00 0.00 175.30 176.05 1buj s ASN 83 N -4.17 3.79 0.04 0.23 2.20 -1.26 -4.96 114.94 110.82 1buj s ASN 83 Ca 0.48 2.14 0.00 0.00 -0.94 0.00 0.00 52.86 54.53 1buj s ASN 83 Cb -0.10 -2.56 0.00 0.00 -2.00 0.00 0.00 41.25 36.59 1buj s ASN 83 CO 0.41 -2.52 0.00 0.00 -2.94 0.00 0.00 177.10 172.05 1buj n ALA 84 N -3.52 3.00 -2.38 3.54 0.00 -1.26 -5.00 120.51 114.88 1buj n ALA 84 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.13 1buj n ALA 84 Cb 0.52 0.09 -0.02 0.00 0.00 0.00 0.00 19.45 20.04 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 -5.03 6.56 0.12 0.00 1.11 -1.26 -3.69 116.67 114.47 1buj s ASP 85 Ca 0.00 1.13 0.05 0.00 0.18 0.00 0.00 52.55 53.91 1buj s ASP 85 Cb 0.00 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 1buj s ASP 85 CO 0.00 -1.19 -0.13 -0.13 1.18 0.00 0.00 175.17 174.91 1buj s ARG 86 N 4.41 0.97 -0.07 8.23 0.52 -0.39 -1.59 118.95 131.03 1buj s ARG 86 Ca 0.58 -1.22 0.04 0.00 -0.52 0.00 0.00 55.73 54.61 1buj s ARG 86 Cb -0.16 -0.78 -0.00 0.00 0.52 0.00 0.00 34.95 34.53 1buj s ARG 86 CO 0.26 0.14 -0.21 -1.17 0.02 0.00 0.00 175.30 174.34 1buj s LEU 87 N -2.49 1.99 -0.07 2.53 0.20 -0.21 -1.40 118.68 119.23 1buj s LEU 87 Ca 0.08 -0.47 0.03 0.00 0.69 0.00 0.00 54.13 54.46 1buj s LEU 87 Cb -0.04 -1.24 0.01 0.00 -0.43 0.00 0.00 46.19 44.49 1buj s LEU 87 CO 0.02 0.16 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.40 1buj s VAL 88 N 0.20 1.37 0.06 1.68 1.01 0.02 -0.91 120.40 123.84 1buj s VAL 88 Ca -0.12 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1buj s VAL 88 Cb -0.15 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1buj s VAL 88 CO 0.06 0.41 -0.14 -0.72 0.00 0.00 0.00 175.10 174.70 1buj s TYR 89 N 0.57 1.22 0.76 5.22 1.13 -0.56 -1.28 117.35 124.40 1buj s TYR 89 Ca -0.16 -0.42 -0.03 0.00 -1.41 0.00 0.00 57.07 55.05 1buj s TYR 89 Cb -0.16 -0.70 0.14 0.00 -1.10 0.00 0.00 41.96 40.13 1buj s TYR 89 CO 0.05 0.05 1.04 -1.54 -2.51 0.00 0.00 175.55 172.64 1buj s SER 90 N -1.51 4.18 0.14 -0.18 1.04 -0.76 -1.46 113.70 115.16 1buj s SER 90 Ca -0.01 -0.24 -0.18 0.00 0.48 0.00 0.00 55.95 56.00 1buj s SER 90 Cb -0.09 -0.10 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 1buj s SER 90 CO 0.02 -1.98 1.79 0.28 0.98 0.00 0.00 173.24 174.33 1buj h SER 91 N -0.69 0.32 -0.45 7.02 0.02 -1.48 -2.23 113.55 116.05 1buj h SER 91 Ca -0.38 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1buj h SER 91 Cb 1.26 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1buj h SER 91 CO 0.40 0.23 0.00 -0.90 -1.14 0.00 0.00 176.83 175.43 1buj n ASP 92 N -4.89 2.94 -1.68 3.07 5.75 -1.26 -4.90 116.55 115.56 1buj n ASP 92 Ca -0.01 -2.15 -0.06 0.00 -0.01 0.00 0.00 54.79 52.56 1buj n ASP 92 Cb 0.03 -0.39 0.03 0.00 -1.03 0.00 0.00 41.12 39.75 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 0.78 -0.73 -3.16 2.11 7.02 -0.84 -5.01 117.44 117.62 1buj n TRP 93 Ca 0.17 0.30 -0.40 0.00 -1.02 0.00 0.00 57.50 56.54 1buj n TRP 93 Cb 0.52 -2.79 -0.06 0.00 -2.42 0.00 0.00 31.31 26.55 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 -3.26 4.14 -0.13 -0.99 1.43 -1.26 -4.83 118.68 113.78 1buj s LEU 94 Ca 0.04 0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 53.89 1buj s LEU 94 Cb -0.02 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 43.35 1buj s LEU 94 CO 0.23 -0.25 -0.04 -0.63 0.23 0.00 0.00 176.35 175.89 1buj s ILE 95 N 1.85 3.88 0.03 -0.59 1.01 -1.26 -1.83 121.20 124.30 1buj s ILE 95 Ca 0.27 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1buj s ILE 95 Cb -0.16 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 1buj s ILE 95 CO 0.10 0.53 -0.04 -0.31 0.00 0.00 0.00 174.94 175.22 1buj s TYR 96 N -0.01 0.38 0.33 3.97 1.51 -0.41 -3.15 117.35 119.98 1buj s TYR 96 Ca 0.01 -0.67 0.10 0.00 -1.01 0.00 0.00 57.07 55.50 1buj s TYR 96 Cb -0.13 -0.27 -0.06 0.00 -0.11 0.00 0.00 41.96 41.39 1buj s TYR 96 CO 0.03 -0.22 -0.12 -1.59 -1.11 0.00 0.00 175.55 172.53 1buj s LYS 97 N -2.12 1.78 -0.09 -0.62 0.00 -0.25 -0.80 119.74 117.64 1buj s LYS 97 Ca -0.09 -1.90 -0.23 0.00 0.00 0.00 0.00 55.97 53.75 1buj s LYS 97 Cb -0.05 -1.71 0.05 0.00 0.00 0.00 0.00 37.83 36.11 1buj s LYS 97 CO -0.03 0.18 0.54 -0.08 0.00 0.00 0.00 175.35 175.96 1buj s THR 98 N -2.59 0.02 -0.12 3.79 -1.32 -0.49 -1.84 115.64 113.08 1buj s THR 98 Ca 0.32 -0.14 0.01 0.00 -1.21 0.00 0.00 61.69 60.67 1buj s THR 98 Cb 0.01 -0.82 0.02 0.00 -1.51 0.00 0.00 72.50 70.19 1buj s THR 98 CO 0.16 -0.08 0.71 0.35 -2.21 0.00 0.00 174.62 173.55 1buj n THR 99 N 1.59 0.35 0.04 5.08 -2.24 -1.26 -1.26 114.28 116.59 1buj n THR 99 Ca -0.18 -0.68 0.03 0.00 -2.27 0.00 0.00 64.05 60.95 1buj n THR 99 Cb 0.56 0.84 0.06 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.10 2.09 -2.82 3.42 5.68 -1.26 -4.64 116.55 118.92 1buj n ASP 100 Ca 0.01 -1.70 -0.05 0.00 -0.50 0.00 0.00 54.79 52.56 1buj n ASP 100 Cb 0.11 -0.07 0.01 0.00 -1.14 0.00 0.00 41.12 40.02 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 0.16 -3.62 -2.24 2.11 -0.00 -1.24 -3.96 115.22 106.43 1buj n HIS 101 Ca 0.05 1.54 -0.20 0.00 -0.00 0.00 0.00 57.72 59.11 1buj n HIS 101 Cb 0.26 -3.89 -0.02 0.00 -0.00 0.00 0.00 29.99 26.34 1buj n HIS 101 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.34 177.32 1buj n TYR 102 N 0.26 -0.79 -0.05 1.57 9.36 -1.26 -4.80 117.16 121.45 1buj n TYR 102 Ca 0.05 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.22 1buj n TYR 102 Cb 0.24 -3.81 -0.02 0.00 -0.63 0.00 0.00 39.34 35.12 1buj n TYR 102 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1buj n ALA 103 N -1.38 0.59 -2.28 2.98 0.00 -1.25 -5.08 120.51 114.09 1buj n ALA 103 Ca -0.23 -0.57 -0.15 0.00 0.00 0.00 0.00 53.44 52.48 1buj n ALA 103 Cb 0.68 0.02 -0.10 0.00 0.00 0.00 0.00 19.45 20.05 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 -2.11 0.66 0.09 0.00 -4.23 -1.26 -5.03 115.64 103.76 1buj s THR 104 Ca -0.17 -1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 58.34 1buj s THR 104 Cb 0.02 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 1buj s THR 104 CO 0.25 -0.26 0.02 -0.36 -0.54 0.00 0.00 174.62 173.73 1buj s PHE 105 N -3.67 0.67 -0.02 3.99 0.08 -1.26 -4.64 117.98 113.11 1buj s PHE 105 Ca 0.30 -1.13 -0.01 0.00 0.12 0.00 0.00 56.93 56.22 1buj s PHE 105 Cb 0.07 -0.42 0.02 0.00 -0.57 0.00 0.00 43.02 42.12 1buj s PHE 105 CO 0.09 -0.46 0.05 0.99 -0.10 0.00 0.00 175.22 175.79 1buj s THR 106 N -3.98 -0.04 0.01 0.64 2.01 -0.77 -4.95 115.64 108.57 1buj s THR 106 Ca 0.15 0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.99 1buj s THR 106 Cb 0.08 -0.09 -0.05 0.00 0.01 0.00 0.00 72.50 72.44 1buj s THR 106 CO -0.04 0.06 1.26 -0.60 -0.69 0.00 0.00 174.62 174.60 1buj s ARG 107 N 0.76 4.36 -0.04 4.92 6.06 -1.26 -1.09 118.95 132.66 1buj s ARG 107 Ca -0.06 1.80 0.08 0.00 -2.50 0.00 0.00 55.73 55.05 1buj s ARG 107 Cb -0.09 -3.47 -0.12 0.00 0.06 0.00 0.00 34.95 31.33 1buj s ARG 107 CO -0.03 -0.41 0.13 0.44 -2.50 0.00 0.00 175.30 172.94 1buj n ILE 108 N 4.34 0.20 0.00 4.11 -0.00 -1.19 -4.97 119.36 121.85 1buj n ILE 108 Ca 0.11 -0.25 0.00 0.00 -0.00 0.00 0.00 62.75 62.60 1buj n ILE 108 Cb 0.45 -0.10 0.00 0.00 -0.00 0.00 0.00 39.64 40.00 1buj n ILE 108 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44