#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nbu n ASP 3 N 0.00 2.89 -3.65 0.00 9.92 -1.26 -4.97 116.55 119.48 1nbu n ASP 3 Ca 0.00 1.14 -0.10 0.00 -0.53 0.00 0.00 54.79 55.30 1nbu n ASP 3 Cb 0.00 -1.44 -0.03 0.00 -0.64 0.00 0.00 41.12 39.01 1nbu n ASP 3 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nbu s ARG 4 N -0.30 1.46 -0.09 -1.24 1.70 -1.26 -2.19 118.95 117.02 1nbu s ARG 4 Ca 0.69 -0.75 -0.00 0.00 -0.47 0.00 0.00 55.73 55.19 1nbu s ARG 4 Cb -0.64 0.57 -0.03 0.00 -0.57 0.00 0.00 34.95 34.29 1nbu s ARG 4 CO 0.48 -0.64 -0.07 0.42 -1.08 0.00 0.00 175.30 174.41 1nbu s ILE 5 N -3.84 3.69 -0.16 4.99 1.01 0.63 -4.94 121.20 122.58 1nbu s ILE 5 Ca 0.07 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 1nbu s ILE 5 Cb -0.02 -2.54 0.04 0.00 0.01 0.00 0.00 42.46 39.95 1nbu s ILE 5 CO -0.04 0.57 -0.05 -1.61 0.00 0.00 0.00 174.94 173.81 1nbu s GLU 6 N -0.44 1.35 -0.20 2.79 2.02 -1.26 -0.76 118.70 122.20 1nbu s GLU 6 Ca 0.06 -0.45 -0.13 0.00 0.02 0.00 0.00 54.97 54.48 1nbu s GLU 6 Cb -0.12 -1.91 -0.05 0.00 0.10 0.00 0.00 34.13 32.16 1nbu s GLU 6 CO 0.02 -0.42 0.24 -1.17 0.02 0.00 0.00 175.26 173.96 1nbu s LEU 7 N 1.67 4.19 -0.05 1.80 2.96 -0.48 -4.98 118.68 123.78 1nbu s LEU 7 Ca 0.01 0.34 0.03 0.00 -0.22 0.00 0.00 54.13 54.29 1nbu s LEU 7 Cb -0.15 -2.27 0.01 0.00 0.50 0.00 0.00 46.19 44.28 1nbu s LEU 7 CO -0.08 0.07 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.78 1nbu s ARG 8 N 0.76 1.55 0.00 1.98 1.81 -1.26 -1.16 118.95 122.63 1nbu s ARG 8 Ca 0.13 -0.41 0.00 0.00 -1.72 0.00 0.00 55.73 53.72 1nbu s ARG 8 Cb -0.13 -1.32 0.00 0.00 -0.45 0.00 0.00 34.95 33.06 1nbu s ARG 8 CO 0.03 0.07 0.00 0.41 -0.68 0.00 0.00 175.30 175.14 1nbu n GLY 9 N 3.62 0.40 3.63 -3.53 0.00 -1.05 -4.96 105.19 103.31 1nbu n GLY 9 Ca -0.21 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 1nbu n GLY 9 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nbu s LEU 10 N 0.00 4.00 -0.25 0.99 2.96 -0.30 -4.73 118.68 121.35 1nbu s LEU 10 Ca 0.00 2.18 -0.04 0.00 -0.22 0.00 0.00 54.13 56.05 1nbu s LEU 10 Cb 0.00 -3.52 0.01 0.00 0.50 0.00 0.00 46.19 43.17 1nbu s LEU 10 CO 0.00 -1.38 -0.01 -0.89 -1.32 0.00 0.00 176.35 172.75 1nbu s THR 11 N 5.83 3.43 -0.05 3.68 2.01 -1.26 0.11 115.64 129.39 1nbu s THR 11 Ca 0.88 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 62.17 1nbu s THR 11 Cb -0.35 -2.68 0.04 0.00 0.01 0.00 0.00 72.50 69.52 1nbu s THR 11 CO 0.36 0.26 0.09 -0.69 -0.69 0.00 0.00 174.62 173.95 1nbu s VAL 12 N 1.44 -0.07 0.24 3.82 1.01 -0.29 -5.00 120.40 121.56 1nbu s VAL 12 Ca 0.03 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 1nbu s VAL 12 Cb -0.16 -0.17 -0.09 0.00 0.00 0.00 0.00 36.38 35.96 1nbu s VAL 12 CO -0.02 0.09 1.34 -2.28 0.00 0.00 0.00 175.10 174.23 1nbu s HIS 13 N 1.23 3.17 0.31 5.22 2.46 -1.26 -1.46 115.29 124.97 1nbu s HIS 13 Ca -0.08 1.22 -0.05 0.00 0.47 0.00 0.00 55.06 56.62 1nbu s HIS 13 Cb -0.12 -3.66 -0.00 0.00 -0.13 0.00 0.00 32.58 28.67 1nbu s HIS 13 CO -0.05 -2.03 0.46 0.20 -2.47 0.00 0.00 174.74 170.85 1nbu s GLY 14 N 0.17 1.22 -0.11 1.59 0.00 -0.56 -4.42 107.32 105.21 1nbu s GLY 14 Ca 0.56 -1.35 0.14 0.00 0.00 0.00 0.00 44.72 44.06 1nbu s GLY 14 CO 0.42 -0.92 1.15 0.54 0.00 0.00 0.00 173.10 174.29 1nbu n ARG 15 N -0.50 0.95 -2.35 2.90 1.74 -1.26 -1.17 116.66 116.97 1nbu n ARG 15 Ca 0.00 -2.44 -0.38 0.00 -0.77 0.00 0.00 57.85 54.27 1nbu n ARG 15 Cb 0.62 -1.12 -0.02 0.00 -1.02 0.00 0.00 32.46 30.92 1nbu n ARG 15 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1nbu s HIS 16 N -2.02 3.08 0.00 -1.55 3.76 -1.26 -4.33 115.29 112.96 1nbu s HIS 16 Ca 0.29 1.58 0.00 0.00 -0.15 0.00 0.00 55.06 56.77 1nbu s HIS 16 Cb 0.28 -3.32 0.00 0.00 1.11 0.00 0.00 32.58 30.65 1nbu s HIS 16 CO -0.04 -1.17 0.00 0.41 -0.85 0.00 0.00 174.74 173.09 1nbu n GLY 17 N 0.53 3.37 0.15 -2.22 0.00 -0.80 -4.86 105.19 101.36 1nbu n GLY 17 Ca 0.05 -0.54 0.02 0.00 0.00 0.00 0.00 46.02 45.55 1nbu n GLY 17 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1nbu h VAL 18 N 4.57 1.12 -3.66 1.61 -1.51 -1.80 -3.39 116.25 113.19 1nbu h VAL 18 Ca 0.00 -2.05 -0.67 0.00 -1.23 0.00 0.00 66.70 62.74 1nbu h VAL 18 Cb 0.00 2.20 -0.17 0.00 -2.13 0.00 0.00 31.29 31.19 1nbu h VAL 18 CO 0.00 0.53 -0.76 -0.31 -1.23 0.00 0.00 177.57 175.80 1nbu s TYR 19 N -3.36 2.67 0.14 5.19 1.51 -1.26 -4.99 117.35 117.25 1nbu s TYR 19 Ca 0.01 -0.19 -0.09 0.00 -1.01 0.00 0.00 57.07 55.79 1nbu s TYR 19 Cb 0.11 -1.43 -0.06 0.00 -0.11 0.00 0.00 41.96 40.47 1nbu s TYR 19 CO 0.73 0.39 1.39 0.00 -1.11 0.00 0.00 175.55 176.95 1nbu h ALA 20 N 3.85 0.47 -0.65 3.71 0.00 -2.01 0.39 119.26 125.03 1nbu h ALA 20 Ca -0.49 -0.55 0.16 0.00 0.00 0.00 0.00 54.91 54.03 1nbu h ALA 20 Cb 1.17 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1nbu h ALA 20 CO 0.50 0.69 0.45 1.12 0.00 0.00 0.00 179.25 182.01 1nbu h HIS 21 N 0.55 0.19 0.00 0.00 2.07 -1.98 -0.88 115.15 115.10 1nbu h HIS 21 Ca -0.01 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 1nbu h HIS 21 Cb 1.24 -0.06 0.00 0.00 2.57 0.00 0.00 27.41 31.16 1nbu h HIS 21 CO 0.07 0.07 -0.24 0.39 -3.07 0.00 0.00 177.93 175.15 1nbu n GLU 22 N -4.41 0.12 0.10 5.12 1.02 0.14 -3.32 120.64 119.41 1nbu n GLU 22 Ca 0.12 0.07 0.09 0.00 -0.02 0.00 0.00 57.16 57.42 1nbu n GLU 22 Cb 0.61 -1.61 -0.01 0.00 -0.02 0.00 0.00 31.44 30.42 1nbu n GLU 22 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nbu h ARG 23 N 0.00 0.00 0.73 3.49 3.08 -1.25 -3.04 114.38 117.39 1nbu h ARG 23 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1nbu h ARG 23 Cb 0.60 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.66 1nbu h ARG 23 CO 0.00 0.07 -0.35 0.28 -1.07 0.00 0.00 179.97 178.90 1nbu h VAL 24 N 0.00 0.00 -0.00 2.04 2.07 -1.53 -3.38 116.25 115.45 1nbu h VAL 24 Ca -0.03 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1nbu h VAL 24 Cb 1.13 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1nbu h VAL 24 CO 0.01 0.00 -0.39 0.00 0.02 0.00 0.00 177.57 177.21 1nbu n ALA 25 N -2.58 3.11 -0.08 1.67 0.00 -1.26 -5.11 120.51 116.25 1nbu n ALA 25 Ca -0.12 -0.27 0.01 0.00 0.00 0.00 0.00 53.44 53.06 1nbu n ALA 25 Cb 0.39 -0.32 -0.00 0.00 0.00 0.00 0.00 19.45 19.51 1nbu n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nbu n GLY 26 N 1.17 -2.17 3.80 0.00 0.00 -1.15 -4.96 105.19 101.88 1nbu n GLY 26 Ca 0.02 -1.48 -0.08 0.00 0.00 0.00 0.00 46.02 44.48 1nbu n GLY 26 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1nbu s GLN 27 N -0.72 1.89 0.08 1.61 -2.07 -0.32 -4.97 119.66 115.16 1nbu s GLN 27 Ca 0.00 -1.17 -0.30 0.00 -1.82 0.00 0.00 55.36 52.07 1nbu s GLN 27 Cb 0.00 0.59 -0.06 0.00 -1.09 0.00 0.00 33.01 32.46 1nbu s GLN 27 CO 0.00 -0.86 1.14 0.50 -1.32 0.00 0.00 175.29 174.75 1nbu s ARG 28 N -3.46 4.49 0.02 9.60 3.52 -1.26 -1.49 118.95 130.36 1nbu s ARG 28 Ca 0.14 1.70 0.05 0.00 -0.13 0.00 0.00 55.73 57.49 1nbu s ARG 28 Cb -0.05 -3.35 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 1nbu s ARG 28 CO 0.09 -0.14 -0.13 -0.06 -0.81 0.00 0.00 175.30 174.25 1nbu s PHE 29 N 0.73 2.71 -0.08 5.12 0.40 -0.53 -4.36 117.98 121.96 1nbu s PHE 29 Ca 0.55 -0.16 0.03 0.00 -0.60 0.00 0.00 56.93 56.76 1nbu s PHE 29 Cb -0.28 -1.54 0.01 0.00 0.51 0.00 0.00 43.02 41.72 1nbu s PHE 29 CO 0.30 0.30 -0.18 0.08 0.70 0.00 0.00 175.22 176.42 1nbu s VAL 30 N -0.94 1.57 -0.06 -0.44 1.01 -0.54 -1.14 120.40 119.87 1nbu s VAL 30 Ca 0.15 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.45 1nbu s VAL 30 Cb -0.11 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1nbu s VAL 30 CO 0.06 0.45 -0.22 -0.63 0.00 0.00 0.00 175.10 174.76 1nbu s ILE 31 N 0.47 2.31 -0.00 2.22 -1.09 0.30 -1.09 121.20 124.31 1nbu s ILE 31 Ca -0.16 -0.98 0.05 0.00 -2.23 0.00 0.00 60.65 57.34 1nbu s ILE 31 Cb -0.16 -1.86 -0.03 0.00 -1.58 0.00 0.00 42.46 38.83 1nbu s ILE 31 CO 0.06 0.57 -0.15 -1.81 -1.23 0.00 0.00 174.94 172.38 1nbu s ASP 32 N -0.21 4.03 -0.05 3.58 1.01 -0.58 -1.14 116.67 123.30 1nbu s ASP 32 Ca -0.02 -0.28 0.02 0.00 0.71 0.00 0.00 52.55 52.98 1nbu s ASP 32 Cb -0.13 -0.79 0.02 0.00 1.01 0.00 0.00 42.92 43.02 1nbu s ASP 32 CO 0.03 0.30 -0.09 -0.69 0.21 0.00 0.00 175.17 174.93 1nbu s VAL 33 N -0.86 0.83 -0.14 -1.27 1.01 -0.31 -1.22 120.40 118.44 1nbu s VAL 33 Ca 0.14 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1nbu s VAL 33 Cb -0.11 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.49 1nbu s VAL 33 CO 0.04 0.28 -0.18 -0.89 0.00 0.00 0.00 175.10 174.35 1nbu s THR 34 N 0.68 2.44 -0.22 3.92 2.01 -0.16 -1.39 115.64 122.91 1nbu s THR 34 Ca -0.12 -0.85 -0.03 0.00 0.31 0.00 0.00 61.69 61.00 1nbu s THR 34 Cb -0.14 -2.00 0.00 0.00 0.01 0.00 0.00 72.50 70.37 1nbu s THR 34 CO 0.02 0.53 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.72 1nbu s VAL 35 N 0.73 3.09 -0.27 3.82 1.01 0.06 -1.56 120.40 127.28 1nbu s VAL 35 Ca -0.08 -0.68 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 1nbu s VAL 35 Cb -0.16 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1nbu s VAL 35 CO 0.01 0.38 0.56 0.26 0.00 0.00 0.00 175.10 176.31 1nbu s TRP 36 N 1.42 3.26 -0.04 5.22 0.51 -0.48 -0.27 118.94 128.57 1nbu s TRP 36 Ca 0.04 0.66 -0.26 0.00 -2.12 0.00 0.00 56.10 54.43 1nbu s TRP 36 Cb -0.15 -2.79 0.05 0.00 -0.81 0.00 0.00 33.47 29.78 1nbu s TRP 36 CO -0.05 -0.33 0.56 -1.50 -0.51 0.00 0.00 176.95 175.12 1nbu s ILE 37 N 2.40 0.02 -0.21 2.03 2.07 -0.93 -0.80 121.20 125.77 1nbu s ILE 37 Ca 0.23 -0.16 -0.28 0.00 -1.41 0.00 0.00 60.65 59.03 1nbu s ILE 37 Cb -0.15 -0.88 0.00 0.00 0.13 0.00 0.00 42.46 41.56 1nbu s ILE 37 CO 0.09 -0.09 1.00 -0.62 -1.91 0.00 0.00 174.94 173.42 1nbu s ASP 38 N -1.25 7.08 0.00 4.50 2.15 -1.26 -4.16 116.67 123.72 1nbu s ASP 38 Ca -0.12 1.35 0.18 0.00 0.43 0.00 0.00 52.55 54.39 1nbu s ASP 38 Cb -0.02 -2.53 0.31 0.00 -0.30 0.00 0.00 42.92 40.38 1nbu s ASP 38 CO 0.08 -0.61 1.24 0.18 -0.17 0.00 0.00 175.17 175.88 1nbu n LEU 39 N 6.09 2.98 -0.29 -1.34 4.77 -1.26 -4.61 117.00 123.34 1nbu n LEU 39 Ca 0.10 -1.44 -0.06 0.00 -0.03 0.00 0.00 56.01 54.59 1nbu n LEU 39 Cb 0.47 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1nbu n LEU 39 CO 0.51 0.64 1.05 0.00 -1.33 0.00 0.00 177.39 178.26 1nbu h ALA 40 N 3.51 1.05 -0.50 -1.18 0.00 -1.94 -0.73 119.26 119.46 1nbu h ALA 40 Ca 0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1nbu h ALA 40 Cb 0.82 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1nbu h ALA 40 CO 0.00 0.67 -0.13 1.49 0.00 0.00 0.00 179.25 181.28 1nbu h GLU 41 N 1.17 0.96 -0.62 0.00 4.57 -1.90 -1.32 114.58 117.44 1nbu h GLU 41 Ca 0.27 -0.35 -0.03 0.00 -1.18 0.00 0.00 59.36 58.06 1nbu h GLU 41 Cb 0.22 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1nbu h GLU 41 CO -0.02 1.02 0.26 0.00 -1.18 0.00 0.00 179.01 179.08 1nbu h ALA 42 N 1.00 1.28 0.00 2.92 0.00 -1.65 0.77 119.26 123.58 1nbu h ALA 42 Ca 0.13 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1nbu h ALA 42 Cb 0.68 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1nbu h ALA 42 CO 0.05 0.53 -0.30 0.00 0.00 0.00 0.00 179.25 179.53 1nbu h ALA 43 N 1.39 1.37 0.11 0.00 0.00 -0.63 0.47 119.26 121.97 1nbu h ALA 43 Ca 0.21 -0.27 -0.27 0.00 0.00 0.00 0.00 54.91 54.57 1nbu h ALA 43 Cb 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1nbu h ALA 43 CO -0.02 0.38 -1.30 -0.91 0.00 0.00 0.00 179.25 177.40 1nbu h ASN 44 N 0.00 0.35 0.39 0.00 -0.26 0.19 -3.35 115.58 112.90 1nbu h ASN 44 Ca -0.00 -0.41 -0.13 0.00 -0.56 0.00 0.00 56.30 55.20 1nbu h ASN 44 Cb 0.58 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.70 1nbu h ASN 44 CO 0.04 1.32 -1.73 -1.54 -1.06 0.00 0.00 177.43 174.46 1nbu n SER 45 N -3.48 0.42 -2.71 5.81 3.41 0.04 -4.97 113.62 112.13 1nbu n SER 45 Ca -0.10 0.18 -0.20 0.00 -0.26 0.00 0.00 58.87 58.49 1nbu n SER 45 Cb 1.02 0.95 0.01 0.00 -0.26 0.00 0.00 64.21 65.93 1nbu n SER 45 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1nbu n ASP 46 N -2.63 -5.25 -4.37 4.04 2.03 0.15 -4.98 116.55 105.55 1nbu n ASP 46 Ca -0.11 -0.09 -0.35 0.00 0.52 0.00 0.00 54.79 54.75 1nbu n ASP 46 Cb 0.77 -4.34 -0.13 0.00 -0.72 0.00 0.00 41.12 36.70 1nbu n ASP 46 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1nbu s ASP 47 N -2.32 4.60 0.50 1.67 -1.08 -1.25 -5.01 116.67 113.78 1nbu s ASP 47 Ca 0.14 -0.32 0.19 0.00 -0.52 0.00 0.00 52.55 52.04 1nbu s ASP 47 Cb -0.06 -1.80 1.26 0.00 -1.46 0.00 0.00 42.92 40.85 1nbu s ASP 47 CO 0.17 -0.01 2.04 0.25 0.52 0.00 0.00 175.17 178.13 1nbu h LEU 48 N 8.08 0.10 -2.46 -1.34 5.85 -1.93 -0.11 115.31 123.50 1nbu h LEU 48 Ca -0.40 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 1nbu h LEU 48 Cb 1.17 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1nbu h LEU 48 CO 0.60 0.06 -0.02 0.00 -0.34 0.00 0.00 178.44 178.73 1nbu h ALA 49 N 1.80 1.17 -0.00 1.25 0.00 -2.01 -0.10 119.26 121.37 1nbu h ALA 49 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1nbu h ALA 49 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1nbu h ALA 49 CO -0.02 0.03 -0.01 -0.25 0.00 0.00 0.00 179.25 179.00 1nbu n ASP 50 N -3.36 0.23 -3.22 0.00 8.00 -0.05 -4.86 116.55 113.29 1nbu n ASP 50 Ca -0.02 -0.95 -0.19 0.00 0.71 0.00 0.00 54.79 54.34 1nbu n ASP 50 Cb 0.14 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.14 1nbu n ASP 50 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1nbu n THR 51 N -0.87 0.00 -3.10 -3.53 5.66 -0.05 -4.19 114.28 108.19 1nbu n THR 51 Ca 0.22 -1.89 -0.41 0.00 -3.05 0.00 0.00 64.05 58.91 1nbu n THR 51 Cb 0.17 0.75 -0.06 0.00 -1.55 0.00 0.00 70.33 69.63 1nbu n THR 51 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1nbu s TYR 52 N -2.84 3.20 -0.19 1.09 6.14 -1.26 -4.99 117.35 118.50 1nbu s TYR 52 Ca 0.20 0.55 -0.29 0.00 0.64 0.00 0.00 57.07 58.17 1nbu s TYR 52 Cb 0.01 -3.05 -0.03 0.00 0.42 0.00 0.00 41.96 39.31 1nbu s TYR 52 CO 0.14 -0.52 1.66 0.34 0.64 0.00 0.00 175.55 177.82 1nbu s ASP 53 N 1.67 6.37 0.48 4.32 2.15 -1.26 -4.87 116.67 125.54 1nbu s ASP 53 Ca 0.26 1.75 0.21 0.00 0.43 0.00 0.00 52.55 55.19 1nbu s ASP 53 Cb -0.15 -2.53 1.22 0.00 -0.30 0.00 0.00 42.92 41.16 1nbu s ASP 53 CO 0.13 -1.24 2.03 0.10 -0.17 0.00 0.00 175.17 176.01 1nbu h TYR 54 N 10.78 0.00 -0.72 -5.34 -0.00 -1.99 -1.41 116.97 118.29 1nbu h TYR 54 Ca -0.35 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.36 1nbu h TYR 54 Cb 1.16 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.86 1nbu h TYR 54 CO 0.91 0.16 0.39 0.28 -0.00 0.00 0.00 178.16 179.90 1nbu h VAL 55 N 0.00 1.22 0.00 -0.90 2.07 -2.00 -0.60 116.25 116.04 1nbu h VAL 55 Ca -0.00 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 66.86 1nbu h VAL 55 Cb 0.33 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1nbu h VAL 55 CO 0.02 0.25 -0.70 0.03 0.02 0.00 0.00 177.57 177.18 1nbu h ARG 56 N 1.00 0.00 0.57 1.57 3.08 -1.80 -2.19 114.38 116.60 1nbu h ARG 56 Ca 0.25 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 1nbu h ARG 56 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1nbu h ARG 56 CO -0.04 0.34 -0.40 1.25 -1.07 0.00 0.00 179.97 180.05 1nbu h LEU 57 N 0.00 -1.03 -0.92 3.04 6.46 -0.89 -2.07 115.31 119.91 1nbu h LEU 57 Ca -0.04 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1nbu h LEU 57 Cb 1.34 0.32 -0.04 0.00 -0.73 0.00 0.00 40.66 41.55 1nbu h LEU 57 CO 0.05 -0.60 0.58 0.00 -0.62 0.00 0.00 178.44 177.84 1nbu h ALA 58 N -0.63 1.17 -0.28 1.25 0.00 -1.11 -2.07 119.26 117.59 1nbu h ALA 58 Ca -0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1nbu h ALA 58 Cb 0.78 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1nbu h ALA 58 CO 0.03 0.61 0.00 0.66 0.00 0.00 0.00 179.25 180.55 1nbu h SER 59 N 1.26 0.48 -0.17 0.00 4.64 -1.38 0.41 113.55 118.78 1nbu h SER 59 Ca 0.33 -0.31 -0.19 0.00 -0.47 0.00 0.00 61.79 61.16 1nbu h SER 59 Cb -0.09 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.88 1nbu h SER 59 CO -0.07 0.67 -0.60 -0.09 -0.87 0.00 0.00 176.83 175.88 1nbu h ARG 60 N 0.28 0.78 -0.74 4.77 9.65 -1.29 0.04 114.38 127.86 1nbu h ARG 60 Ca 0.08 -0.52 0.04 0.00 -1.10 0.00 0.00 59.98 58.47 1nbu h ARG 60 Cb 0.42 0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 29.03 1nbu h ARG 60 CO 0.01 1.15 0.46 0.00 2.80 0.00 0.00 179.97 184.39 1nbu h ALA 61 N 0.73 0.98 -0.28 2.80 0.00 -1.34 -1.68 119.26 120.48 1nbu h ALA 61 Ca -0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1nbu h ALA 61 Cb 1.20 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1nbu h ALA 61 CO 0.13 0.22 -0.48 0.00 0.00 0.00 0.00 179.25 179.12 1nbu h ALA 62 N 1.33 0.64 -0.77 0.00 0.00 -0.43 -1.66 119.26 118.35 1nbu h ALA 62 Ca 0.31 -0.48 0.08 0.00 0.00 0.00 0.00 54.91 54.81 1nbu h ALA 62 Cb 0.06 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 1nbu h ALA 62 CO -0.13 0.68 0.44 0.93 0.00 0.00 0.00 179.25 181.16 1nbu h GLU 63 N 0.59 0.73 -0.16 0.00 5.08 -0.71 0.20 114.58 120.31 1nbu h GLU 63 Ca 0.03 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1nbu h GLU 63 Cb 1.04 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 1nbu h GLU 63 CO 0.10 0.49 -0.05 0.82 -1.00 0.00 0.00 179.01 179.37 1nbu h ILE 64 N 0.76 1.29 -0.83 3.13 2.04 -1.17 -1.08 117.51 121.66 1nbu h ILE 64 Ca 0.37 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1nbu h ILE 64 Cb 0.30 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 1nbu h ILE 64 CO -0.23 0.30 0.48 0.58 0.00 0.00 0.00 178.15 179.29 1nbu h VAL 65 N 0.01 1.23 0.00 1.67 2.07 -0.78 -0.33 116.25 120.12 1nbu h VAL 65 Ca 0.04 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1nbu h VAL 65 Cb 0.49 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1nbu h VAL 65 CO 0.02 0.25 0.00 0.00 0.02 0.00 0.00 177.57 177.86 1nbu n ALA 66 N -2.41 2.37 -1.00 1.67 0.00 0.01 -4.45 120.51 116.70 1nbu n ALA 66 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1nbu n ALA 66 Cb 0.08 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1nbu n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nbu n GLY 67 N 1.19 -0.70 3.60 0.00 0.00 -0.13 -4.89 105.19 104.25 1nbu n GLY 67 Ca 0.12 -1.58 -0.50 0.00 0.00 0.00 0.00 46.02 44.06 1nbu n GLY 67 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nbu n PRO 68 N 0.00 1.26 -2.20 1.61 -0.02 -1.26 -4.78 135.00 129.60 1nbu n PRO 68 Ca 0.00 0.45 -0.41 0.00 -2.02 0.00 0.00 63.50 61.52 1nbu n PRO 68 Cb 0.00 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 1nbu n PRO 68 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1nbu s PRO 69 N 0.23 4.41 0.24 0.52 0.02 -1.26 -4.97 135.00 134.19 1nbu s PRO 69 Ca 0.80 2.10 0.09 0.00 0.02 0.00 0.00 61.00 64.02 1nbu s PRO 69 Cb -0.89 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 30.45 1nbu s PRO 69 CO 0.48 -0.15 -0.05 1.03 -0.33 0.00 0.00 177.00 177.97 1nbu s ARG 70 N -1.12 2.16 0.07 5.54 1.81 -1.26 -4.96 118.95 121.19 1nbu s ARG 70 Ca 0.51 -1.39 -0.19 0.00 -1.72 0.00 0.00 55.73 52.94 1nbu s ARG 70 Cb -0.37 -2.13 -0.10 0.00 -0.45 0.00 0.00 34.95 31.90 1nbu s ARG 70 CO 0.46 0.39 1.49 0.87 -0.68 0.00 0.00 175.30 177.82 1nbu h LYS 71 N 2.29 0.39 -5.97 3.54 1.79 -1.96 -2.14 116.57 114.52 1nbu h LYS 71 Ca -0.45 -0.14 -0.67 0.00 -2.18 0.00 0.00 60.65 57.22 1nbu h LYS 71 Cb 1.23 -0.03 -0.13 0.00 -1.58 0.00 0.00 32.23 31.73 1nbu h LYS 71 CO 0.58 0.61 -0.60 -0.51 -1.08 0.00 0.00 179.45 178.45 1nbu s LEU 72 N -9.43 3.72 0.52 2.94 1.43 -1.26 -2.76 118.68 113.84 1nbu s LEU 72 Ca -0.14 0.16 0.32 0.00 -1.03 0.00 0.00 54.13 53.44 1nbu s LEU 72 Cb 0.07 -1.97 1.26 0.00 0.03 0.00 0.00 46.19 45.57 1nbu s LEU 72 CO 0.74 0.34 1.93 0.16 0.23 0.00 0.00 176.35 179.76 1nbu h ILE 73 N 3.84 0.00 -0.58 -0.59 3.07 -1.96 -2.55 117.51 118.74 1nbu h ILE 73 Ca -0.51 -0.53 0.09 0.00 1.55 0.00 0.00 64.86 65.47 1nbu h ILE 73 Cb 1.19 1.51 -0.07 0.00 -0.27 0.00 0.00 36.82 39.18 1nbu h ILE 73 CO 0.57 0.00 0.20 -0.33 -1.05 0.00 0.00 178.15 177.53 1nbu h GLU 74 N 0.00 0.35 -0.52 0.16 3.07 -1.95 0.53 114.58 116.22 1nbu h GLU 74 Ca 0.00 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.80 1nbu h GLU 74 Cb 0.54 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 1nbu h GLU 74 CO 0.00 0.23 0.19 1.15 -1.40 0.00 0.00 179.01 179.18 1nbu h THR 75 N 0.36 1.22 -0.24 1.13 2.02 -1.88 -0.06 112.91 115.48 1nbu h THR 75 Ca 0.30 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1nbu h THR 75 Cb 0.37 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1nbu h THR 75 CO -0.31 0.27 0.15 0.58 0.37 0.00 0.00 175.52 176.58 1nbu h VAL 76 N 0.71 1.07 -0.39 3.16 2.07 -1.46 -2.22 116.25 119.18 1nbu h VAL 76 Ca 0.17 -0.14 -0.11 0.00 0.82 0.00 0.00 66.70 67.45 1nbu h VAL 76 Cb 0.23 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1nbu h VAL 76 CO -0.01 0.07 -0.18 1.23 0.02 0.00 0.00 177.57 178.69 1nbu h GLY 77 N 0.31 0.81 1.62 2.17 0.00 -0.63 -2.21 103.07 105.16 1nbu h GLY 77 Ca 0.09 -0.66 -0.05 0.00 0.00 0.00 0.00 47.33 46.70 1nbu h GLY 77 CO -0.02 0.61 -0.03 0.00 0.00 0.00 0.00 176.54 177.10 1nbu h ALA 78 N 1.13 1.39 -0.26 3.60 0.00 -0.80 -0.55 119.26 123.77 1nbu h ALA 78 Ca 0.10 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1nbu h ALA 78 Cb 0.68 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1nbu h ALA 78 CO 0.05 0.42 -0.32 1.49 0.00 0.00 0.00 179.25 180.90 1nbu h GLU 79 N 0.45 0.67 -0.13 0.00 4.81 -0.99 -0.25 114.58 119.14 1nbu h GLU 79 Ca 0.10 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 1nbu h GLU 79 Cb 0.35 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1nbu h GLU 79 CO 0.01 0.99 0.05 0.82 -0.73 0.00 0.00 179.01 180.15 1nbu h ILE 80 N 0.39 1.16 -0.38 2.32 2.04 -1.31 -1.99 117.51 119.74 1nbu h ILE 80 Ca 0.03 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.41 1nbu h ILE 80 Cb 0.89 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 1nbu h ILE 80 CO 0.08 0.15 0.25 0.00 0.00 0.00 0.00 178.15 178.62 1nbu h ALA 81 N 0.88 0.48 -0.00 1.87 0.00 -1.01 -1.90 119.26 119.59 1nbu h ALA 81 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1nbu h ALA 81 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1nbu h ALA 81 CO -0.00 -0.07 -0.18 -0.44 0.00 0.00 0.00 179.25 178.56 1nbu h ASP 82 N 0.50 0.00 0.05 0.00 3.32 -1.02 -1.03 116.42 118.24 1nbu h ASP 82 Ca 0.14 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1nbu h ASP 82 Cb -0.05 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1nbu h ASP 82 CO -0.04 0.18 -0.02 -0.74 -1.72 0.00 0.00 179.24 176.90 1nbu h HIS 83 N 0.00 -0.06 -0.78 4.55 -0.00 -0.77 -2.77 115.15 115.32 1nbu h HIS 83 Ca -0.00 -0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.42 1nbu h HIS 83 Cb 0.31 0.02 -0.05 0.00 -0.00 0.00 0.00 27.41 27.69 1nbu h HIS 83 CO 0.00 0.05 0.48 0.28 -0.00 0.00 0.00 177.93 178.74 1nbu h VAL 84 N -0.15 1.05 0.00 5.26 2.07 -0.72 -1.15 116.25 122.61 1nbu h VAL 84 Ca -0.01 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1nbu h VAL 84 Cb 0.13 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1nbu h VAL 84 CO 0.01 0.16 0.00 0.23 0.02 0.00 0.00 177.57 177.99 1nbu n MET 85 N -4.65 0.07 0.27 1.57 2.00 -0.45 -1.83 117.12 114.10 1nbu n MET 85 Ca 0.10 0.43 0.18 0.00 0.00 0.00 0.00 57.70 58.41 1nbu n MET 85 Cb 0.14 -1.67 0.89 0.00 0.00 0.00 0.00 33.22 32.58 1nbu n MET 85 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 1nbu h ASP 86 N 0.00 0.00 -2.87 7.83 3.45 -0.93 -3.36 116.42 120.53 1nbu h ASP 86 Ca 0.00 0.00 -0.55 0.00 0.43 0.00 0.00 57.03 56.91 1nbu h ASP 86 Cb 0.17 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 38.87 1nbu h ASP 86 CO 0.00 0.00 1.04 -0.62 -1.57 0.00 0.00 179.24 178.09 1nbu s ASP 87 N -5.09 6.28 0.14 6.45 -1.08 -0.76 -4.90 116.67 117.70 1nbu s ASP 87 Ca -0.02 0.02 0.11 0.00 -0.52 0.00 0.00 52.55 52.14 1nbu s ASP 87 Cb 0.10 -2.55 0.55 0.00 -1.46 0.00 0.00 42.92 39.56 1nbu s ASP 87 CO 0.42 -1.64 1.32 0.00 0.52 0.00 0.00 175.17 175.80 1nbu n GLN 88 N 8.74 0.06 0.11 4.34 1.13 -1.26 -0.38 117.38 130.13 1nbu n GLN 88 Ca 0.08 0.53 0.13 0.00 -1.94 0.00 0.00 57.00 55.81 1nbu n GLN 88 Cb 0.49 -1.70 0.40 0.00 0.11 0.00 0.00 30.24 29.54 1nbu n GLN 88 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1nbu n ARG 89 N -1.83 0.27 -2.36 -1.09 1.74 -1.26 -4.75 116.66 107.37 1nbu n ARG 89 Ca -0.00 0.22 -0.43 0.00 -0.77 0.00 0.00 57.85 56.87 1nbu n ARG 89 Cb 0.04 -1.81 -0.02 0.00 -1.02 0.00 0.00 32.46 29.64 1nbu n ARG 89 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1nbu s VAL 90 N -3.10 4.12 0.05 1.55 1.01 0.49 -4.49 120.40 120.02 1nbu s VAL 90 Ca 0.11 1.41 -0.14 0.00 0.00 0.00 0.00 61.98 63.35 1nbu s VAL 90 Cb 0.12 -3.91 -0.32 0.00 0.00 0.00 0.00 36.38 32.28 1nbu s VAL 90 CO 0.60 -0.07 1.07 0.45 0.00 0.00 0.00 175.10 177.15 1nbu h HIS 91 N 8.02 0.96 -2.71 5.22 3.86 -1.26 -3.46 115.15 125.78 1nbu h HIS 91 Ca -0.32 -0.65 0.06 0.00 -1.16 0.00 0.00 60.37 58.30 1nbu h HIS 91 Cb 1.14 -0.06 -0.11 0.00 1.06 0.00 0.00 27.41 29.44 1nbu h HIS 91 CO 0.78 1.50 0.33 0.00 0.86 0.00 0.00 177.93 181.39 1nbu s ALA 92 N -2.80 -1.59 0.01 2.45 0.00 -1.22 -1.69 121.76 116.91 1nbu s ALA 92 Ca -0.09 0.42 -0.05 0.00 0.00 0.00 0.00 51.96 52.24 1nbu s ALA 92 Cb 0.05 0.72 -0.00 0.00 0.00 0.00 0.00 23.12 23.89 1nbu s ALA 92 CO 0.94 -0.84 0.09 0.54 0.00 0.00 0.00 175.76 176.48 1nbu s VAL 93 N -3.55 0.09 -0.11 0.00 0.11 -0.43 -1.39 120.40 115.12 1nbu s VAL 93 Ca 0.06 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.41 1nbu s VAL 93 Cb -0.02 -0.37 0.01 0.00 -1.53 0.00 0.00 36.38 34.47 1nbu s VAL 93 CO -0.06 -0.40 -0.18 -1.61 -3.33 0.00 0.00 175.10 169.53 1nbu s GLU 94 N -1.34 2.46 -0.15 1.54 2.02 -0.60 -1.26 118.70 121.36 1nbu s GLU 94 Ca -0.14 -0.66 0.02 0.00 0.02 0.00 0.00 54.97 54.21 1nbu s GLU 94 Cb -0.08 -2.02 0.01 0.00 0.10 0.00 0.00 34.13 32.14 1nbu s GLU 94 CO 0.01 -0.01 -0.20 0.08 0.02 0.00 0.00 175.26 175.16 1nbu s VAL 95 N 0.83 2.22 -0.26 2.63 1.01 -0.07 -0.99 120.40 125.76 1nbu s VAL 95 Ca -0.09 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 60.89 1nbu s VAL 95 Cb -0.16 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1nbu s VAL 95 CO 0.00 0.54 0.11 0.00 0.00 0.00 0.00 175.10 175.75 1nbu s ALA 96 N 0.95 3.28 -0.32 5.51 0.00 -0.36 -0.86 121.76 129.95 1nbu s ALA 96 Ca -0.03 -1.12 -0.08 0.00 0.00 0.00 0.00 51.96 50.72 1nbu s ALA 96 Cb -0.15 -2.21 0.01 0.00 0.00 0.00 0.00 23.12 20.77 1nbu s ALA 96 CO -0.04 -0.52 0.13 0.08 0.00 0.00 0.00 175.76 175.41 1nbu s VAL 97 N 1.66 4.25 -0.09 0.00 1.01 -0.05 -1.53 120.40 125.66 1nbu s VAL 97 Ca 0.07 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 1nbu s VAL 97 Cb -0.15 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1nbu s VAL 97 CO 0.06 -0.00 0.16 -1.00 0.00 0.00 0.00 175.10 174.31 1nbu s HIS 98 N 1.53 3.59 -0.48 5.22 3.76 -0.25 -1.35 115.29 127.32 1nbu s HIS 98 Ca 0.03 0.50 0.08 0.00 -0.15 0.00 0.00 55.06 55.51 1nbu s HIS 98 Cb -0.18 -1.92 0.29 0.00 1.11 0.00 0.00 32.58 31.89 1nbu s HIS 98 CO 0.04 0.71 0.70 1.17 -0.85 0.00 0.00 174.74 176.52 1nbu n LYS 99 N 1.70 1.65 0.26 1.40 4.81 -0.19 -1.47 118.16 126.33 1nbu n LYS 99 Ca -0.17 -3.89 0.17 0.00 -0.87 0.00 0.00 58.31 53.54 1nbu n LYS 99 Cb 0.54 -1.76 0.91 0.00 0.02 0.00 0.00 35.03 34.74 1nbu n LYS 99 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1nbu h PRO 100 N 3.60 0.00 -0.20 1.64 0.13 -1.77 -1.09 132.00 134.32 1nbu h PRO 100 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1nbu h PRO 100 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1nbu h PRO 100 CO 0.62 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.43 1nbu n GLN 101 N -2.70 2.54 -1.70 0.86 6.02 -1.26 -4.76 117.38 116.38 1nbu n GLN 101 Ca -0.02 -2.71 -0.59 0.00 -0.01 0.00 0.00 57.00 53.66 1nbu n GLN 101 Cb 0.09 -1.72 -0.08 0.00 1.02 0.00 0.00 30.24 29.56 1nbu n GLN 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nbu n ALA 102 N -0.67 -0.60 -2.35 -1.58 0.00 -0.41 -4.80 120.51 110.09 1nbu n ALA 102 Ca 0.19 0.43 -0.36 0.00 0.00 0.00 0.00 53.44 53.70 1nbu n ALA 102 Cb 0.80 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.08 1nbu n ALA 102 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1nbu s PRO 103 N 3.03 3.25 0.05 0.00 0.04 -1.26 -4.88 135.00 135.22 1nbu s PRO 103 Ca 0.98 -1.25 0.09 0.00 0.04 0.00 0.00 61.00 60.86 1nbu s PRO 103 Cb -1.15 -5.33 -0.03 0.00 0.04 0.00 0.00 34.50 28.03 1nbu s PRO 103 CO 0.67 -2.88 -0.25 -1.50 0.04 0.00 0.00 177.00 173.08 1nbu s ILE 104 N 7.18 2.26 -0.23 0.56 2.07 -1.26 -5.05 121.20 126.73 1nbu s ILE 104 Ca 0.58 -1.36 0.28 0.00 -1.41 0.00 0.00 60.65 58.75 1nbu s ILE 104 Cb -0.00 -1.89 0.35 0.00 0.13 0.00 0.00 42.46 41.04 1nbu s ILE 104 CO 0.03 0.36 1.80 -0.65 -1.91 0.00 0.00 174.94 174.57 1nbu h PRO 105 N 4.74 0.00 -7.26 3.50 0.11 -2.04 -3.45 132.00 127.60 1nbu h PRO 105 Ca -0.47 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.13 1nbu h PRO 105 Cb 1.14 0.00 0.13 0.00 0.11 0.00 0.00 31.00 32.38 1nbu h PRO 105 CO 0.44 0.00 0.34 -0.65 -0.21 0.00 0.00 178.00 177.92 1nbu s GLN 106 N -3.41 2.37 -0.21 1.05 1.11 -1.26 -5.02 119.66 114.29 1nbu s GLN 106 Ca 0.04 1.30 -0.14 0.00 0.01 0.00 0.00 55.36 56.58 1nbu s GLN 106 Cb 0.08 -1.90 -0.04 0.00 -1.01 0.00 0.00 33.01 30.13 1nbu s GLN 106 CO 0.58 -1.57 0.30 0.99 0.01 0.00 0.00 175.29 175.60 1nbu s THR 107 N -2.64 5.27 0.14 -0.19 2.01 -1.26 -5.07 115.64 113.90 1nbu s THR 107 Ca 0.64 0.51 -0.23 0.00 0.31 0.00 0.00 61.69 62.92 1nbu s THR 107 Cb -0.19 -3.64 0.07 0.00 0.01 0.00 0.00 72.50 68.75 1nbu s THR 107 CO 0.50 0.31 0.60 0.72 -0.69 0.00 0.00 174.62 176.06 1nbu s PHE 108 N 1.08 -0.53 -0.09 4.92 -0.12 -1.26 -5.08 117.98 116.89 1nbu s PHE 108 Ca 0.15 0.38 -0.20 0.00 -0.05 0.00 0.00 56.93 57.20 1nbu s PHE 108 Cb -0.14 0.53 -0.28 0.00 -0.63 0.00 0.00 43.02 42.50 1nbu s PHE 108 CO 0.06 -0.82 0.70 -0.44 -0.05 0.00 0.00 175.22 174.67 1nbu h ASP 109 N 2.10 0.35 -5.02 1.98 3.32 -1.97 -3.49 116.42 113.68 1nbu h ASP 109 Ca -0.33 -0.89 -0.06 0.00 0.02 0.00 0.00 57.03 55.77 1nbu h ASP 109 Cb 1.29 -0.11 -0.16 0.00 0.22 0.00 0.00 39.33 40.57 1nbu h ASP 109 CO 0.38 1.44 0.05 -0.62 -1.72 0.00 0.00 179.24 178.78 1nbu s ASP 110 N -6.90 -0.44 0.01 6.45 3.68 -1.26 -4.80 116.67 113.41 1nbu s ASP 110 Ca -0.18 0.14 0.01 0.00 2.13 0.00 0.00 52.55 54.66 1nbu s ASP 110 Cb 0.02 0.50 -0.01 0.00 -1.45 0.00 0.00 42.92 41.98 1nbu s ASP 110 CO 0.77 -0.75 -0.05 0.54 0.13 0.00 0.00 175.17 175.81 1nbu s VAL 111 N -2.62 0.37 0.21 1.11 0.11 -1.26 -5.01 120.40 113.31 1nbu s VAL 111 Ca -0.04 -0.56 -0.23 0.00 -2.93 0.00 0.00 61.98 58.21 1nbu s VAL 111 Cb -0.00 -0.39 0.04 0.00 -1.53 0.00 0.00 36.38 34.50 1nbu s VAL 111 CO -0.03 -0.13 0.84 0.00 -3.33 0.00 0.00 175.10 172.45 1nbu s ALA 112 N -0.68 -1.46 0.11 1.54 0.00 -1.26 -1.02 121.76 118.99 1nbu s ALA 112 Ca -0.04 -0.05 0.10 0.00 0.00 0.00 0.00 51.96 51.96 1nbu s ALA 112 Cb -0.05 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 1nbu s ALA 112 CO -0.00 -1.03 -0.23 0.14 0.00 0.00 0.00 175.76 174.64 1nbu s VAL 113 N -3.58 2.53 -0.17 0.00 -7.23 -0.45 -4.98 120.40 106.51 1nbu s VAL 113 Ca 0.11 -1.59 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 1nbu s VAL 113 Cb -0.03 -2.13 0.02 0.00 0.56 0.00 0.00 36.38 34.80 1nbu s VAL 113 CO 0.04 0.13 -0.17 -0.69 -0.31 0.00 0.00 175.10 174.09 1nbu s VAL 114 N -1.07 1.89 -0.18 1.32 1.01 -1.26 -0.87 120.40 121.24 1nbu s VAL 114 Ca 0.16 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 1nbu s VAL 114 Cb -0.10 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1nbu s VAL 114 CO 0.07 0.48 0.06 -0.63 0.00 0.00 0.00 175.10 175.09 1nbu s ILE 115 N 1.35 4.82 -0.08 2.22 -1.09 -0.04 -4.92 121.20 123.46 1nbu s ILE 115 Ca 0.04 -0.03 0.02 0.00 -2.23 0.00 0.00 60.65 58.46 1nbu s ILE 115 Cb -0.13 -3.17 -0.02 0.00 -1.58 0.00 0.00 42.46 37.56 1nbu s ILE 115 CO -0.12 0.47 -0.15 -0.60 -1.23 0.00 0.00 174.94 173.31 1nbu s ARG 116 N 0.30 2.84 0.13 2.79 3.52 -1.26 -0.89 118.95 126.38 1nbu s ARG 116 Ca 0.04 -0.71 0.08 0.00 -0.13 0.00 0.00 55.73 55.01 1nbu s ARG 116 Cb -0.12 -2.46 -0.04 0.00 -1.56 0.00 0.00 34.95 30.77 1nbu s ARG 116 CO 0.00 0.45 -0.19 1.03 -0.81 0.00 0.00 175.30 175.79 1nbu s ARG 117 N -0.28 1.17 0.21 5.12 1.81 -0.39 -5.00 118.95 121.58 1nbu s ARG 117 Ca 0.02 -1.28 -0.23 0.00 -1.72 0.00 0.00 55.73 52.52 1nbu s ARG 117 Cb -0.13 -1.30 0.04 0.00 -0.45 0.00 0.00 34.95 33.12 1nbu s ARG 117 CO 0.03 0.28 0.83 -1.54 -0.68 0.00 0.00 175.30 174.22 1nbu s SER 118 N -2.31 -0.24 0.00 0.23 1.04 -1.26 -1.32 113.70 109.85 1nbu s SER 118 Ca 0.11 -0.47 0.05 0.00 0.48 0.00 0.00 55.95 56.11 1nbu s SER 118 Cb -0.08 0.60 0.04 0.00 0.10 0.00 0.00 66.02 66.68 1nbu s SER 118 CO 0.05 -1.10 0.65 0.54 0.98 0.00 0.00 173.24 174.36