#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 2.05 -3.47 0.00 9.92 -1.26 -5.00 116.55 118.79 1nbu n ASP 3 Ca 0.00 1.10 -0.12 0.00 -0.53 0.00 0.00 54.79 55.25 1nbu n ASP 3 Cb 0.00 -1.24 -0.02 0.00 -0.64 0.00 0.00 41.12 39.22 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 0.94 1.26 -0.14 -1.24 1.70 -1.26 -2.59 118.95 117.61 1nbu s ARG 4 Ca 0.85 -0.53 -0.03 0.00 -0.47 0.00 0.00 55.73 55.55 1nbu s ARG 4 Cb -0.90 0.57 -0.03 0.00 -0.57 0.00 0.00 34.95 34.02 1nbu s ARG 4 CO 0.47 -0.54 -0.04 0.42 -1.08 0.00 0.00 175.30 174.52 1nbu s ILE 5 N -3.76 3.87 -0.14 4.99 1.01 0.15 -4.96 121.20 122.35 1nbu s ILE 5 Ca 0.02 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1nbu s ILE 5 Cb -0.01 -2.68 0.02 0.00 0.01 0.00 0.00 42.46 39.80 1nbu s ILE 5 CO -0.12 0.51 -0.18 -1.61 0.00 0.00 0.00 174.94 173.54 1nbu s GLU 6 N 0.19 2.62 -0.12 2.79 2.02 -1.26 -0.88 118.70 124.05 1nbu s GLU 6 Ca -0.02 -0.69 -0.02 0.00 0.02 0.00 0.00 54.97 54.25 1nbu s GLU 6 Cb -0.14 -2.24 -0.03 0.00 0.10 0.00 0.00 34.13 31.83 1nbu s GLU 6 CO 0.03 -0.13 -0.04 -1.17 0.02 0.00 0.00 175.26 173.97 1nbu s LEU 7 N 1.14 3.28 -0.02 1.80 2.96 0.62 -4.98 118.68 123.48 1nbu s LEU 7 Ca -0.01 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1nbu s LEU 7 Cb -0.14 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.79 1nbu s LEU 7 CO -0.07 0.25 -0.05 -0.13 -1.32 0.00 0.00 176.35 175.03 1nbu s ARG 8 N -0.11 0.59 -0.64 1.98 1.81 -1.26 -1.25 118.95 120.07 1nbu s ARG 8 Ca 0.02 -0.15 0.00 0.00 -1.72 0.00 0.00 55.73 53.88 1nbu s ARG 8 Cb -0.13 -0.60 0.00 0.00 -0.45 0.00 0.00 34.95 33.77 1nbu s ARG 8 CO 0.03 0.03 0.00 0.41 -0.68 0.00 0.00 175.30 175.09 1nbu n GLY 9 N 3.43 0.27 3.64 -3.53 0.00 -1.08 -4.94 105.19 102.98 1nbu n GLY 9 Ca -0.19 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.96 4.08 -0.22 0.99 2.96 -0.09 -4.72 118.68 119.72 1nbu s LEU 10 Ca 0.00 2.05 -0.05 0.00 -0.22 0.00 0.00 54.13 55.91 1nbu s LEU 10 Cb 0.00 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.14 1nbu s LEU 10 CO 0.00 -1.20 -0.00 -0.89 -1.32 0.00 0.00 176.35 172.94 1nbu s THR 11 N 5.06 3.74 -0.10 3.68 2.01 -1.26 0.13 115.64 128.90 1nbu s THR 11 Ca 0.79 -0.37 -0.04 0.00 0.31 0.00 0.00 61.69 62.37 1nbu s THR 11 Cb -0.32 -2.71 0.05 0.00 0.01 0.00 0.00 72.50 69.52 1nbu s THR 11 CO 0.32 0.40 0.22 -0.69 -0.69 0.00 0.00 174.62 174.18 1nbu s VAL 12 N 1.43 -0.12 0.22 3.82 1.01 -0.39 -5.00 120.40 121.37 1nbu s VAL 12 Ca 0.05 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 1nbu s VAL 12 Cb -0.15 -0.35 -0.08 0.00 0.00 0.00 0.00 36.38 35.80 1nbu s VAL 12 CO -0.00 0.08 1.09 -2.28 0.00 0.00 0.00 175.10 173.99 1nbu s HIS 13 N 1.50 3.62 0.28 5.22 5.65 -1.26 -1.43 115.29 128.87 1nbu s HIS 13 Ca -0.07 1.66 -0.01 0.00 0.25 0.00 0.00 55.06 56.89 1nbu s HIS 13 Cb -0.11 -3.26 0.00 0.00 -1.18 0.00 0.00 32.58 28.04 1nbu s HIS 13 CO -0.08 -0.51 0.38 0.41 -0.65 0.00 0.00 174.74 174.30 1nbu n GLY 14 N 1.70 2.37 2.12 1.59 0.00 -0.15 -4.42 105.19 108.40 1nbu n GLY 14 Ca 0.01 -1.59 -0.05 0.00 0.00 0.00 0.00 46.02 44.39 1nbu n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nbu n ARG 15 N -0.47 1.86 -2.56 1.61 1.74 -1.26 -0.81 116.66 116.77 1nbu n ARG 15 Ca 0.01 -3.37 -0.33 0.00 -0.77 0.00 0.00 57.85 53.40 1nbu n ARG 15 Cb 0.47 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.40 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 -2.96 3.32 0.00 -1.55 3.76 -1.26 -4.49 115.29 112.12 1nbu s HIS 16 Ca 0.36 1.54 0.00 0.00 -0.15 0.00 0.00 55.06 56.81 1nbu s HIS 16 Cb 0.36 -2.86 0.00 0.00 1.11 0.00 0.00 32.58 31.20 1nbu s HIS 16 CO -0.05 -0.36 0.00 0.41 -0.85 0.00 0.00 174.74 173.89 1nbu n GLY 17 N -1.04 3.90 0.21 -2.22 0.00 0.17 -4.82 105.19 101.40 1nbu n GLY 17 Ca 0.07 -0.60 0.11 0.00 0.00 0.00 0.00 46.02 45.60 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 3.60 0.18 -3.11 1.61 -1.51 -1.77 -3.36 116.25 111.90 1nbu h VAL 18 Ca 0.00 -1.16 -0.65 0.00 -1.23 0.00 0.00 66.70 63.66 1nbu h VAL 18 Cb 0.00 2.00 -0.09 0.00 -2.13 0.00 0.00 31.29 31.07 1nbu h VAL 18 CO 0.00 0.10 -0.58 -0.31 -1.23 0.00 0.00 177.57 175.55 1nbu s TYR 19 N -3.25 3.28 0.22 5.19 1.51 -1.26 -5.00 117.35 118.04 1nbu s TYR 19 Ca 0.05 0.18 -0.08 0.00 -1.01 0.00 0.00 57.07 56.21 1nbu s TYR 19 Cb 0.06 -1.71 0.30 0.00 -0.11 0.00 0.00 41.96 40.50 1nbu s TYR 19 CO 0.66 0.55 1.77 0.00 -1.11 0.00 0.00 175.55 177.42 1nbu h ALA 20 N 3.85 0.88 -0.25 3.71 0.00 -2.02 -0.83 119.26 124.61 1nbu h ALA 20 Ca -0.48 0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.56 1nbu h ALA 20 Cb 1.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1nbu h ALA 20 CO 0.64 -0.10 0.36 1.12 0.00 0.00 0.00 179.25 181.27 1nbu h HIS 21 N 0.53 0.00 0.00 0.00 2.07 -1.98 -0.13 115.15 115.64 1nbu h HIS 21 Ca 0.32 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.83 1nbu h HIS 21 Cb 0.35 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.32 1nbu h HIS 21 CO -0.13 0.00 -0.12 0.93 -3.07 0.00 0.00 177.93 175.55 1nbu h GLU 22 N 0.00 0.00 -0.00 5.12 5.08 -1.53 -3.22 114.58 120.03 1nbu h GLU 22 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1nbu h GLU 22 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1nbu h GLU 22 CO -0.00 0.05 -0.62 0.54 -1.00 0.00 0.00 179.01 177.98 1nbu n ARG 23 N -3.08 0.42 0.29 2.33 1.74 -0.07 -2.61 116.66 115.68 1nbu n ARG 23 Ca 0.03 -0.31 -0.17 0.00 -0.77 0.00 0.00 57.85 56.64 1nbu n ARG 23 Cb 0.55 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.42 1nbu n ARG 23 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1nbu h VAL 24 N 0.75 0.34 0.00 1.55 2.07 -1.54 -3.36 116.25 116.06 1nbu h VAL 24 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1nbu h VAL 24 Cb 0.56 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1nbu h VAL 24 CO 0.00 0.00 -0.42 0.00 0.02 0.00 0.00 177.57 177.17 1nbu n ALA 25 N -2.54 2.50 -0.31 1.67 0.00 -1.26 -5.11 120.51 115.46 1nbu n ALA 25 Ca -0.12 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1nbu n ALA 25 Cb 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 1.35 -1.68 3.78 0.00 0.00 -1.07 -4.98 105.19 102.57 1nbu n GLY 26 Ca 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 46.02 44.70 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 0.00 1.26 0.03 1.61 -2.07 0.01 -4.98 119.66 115.53 1nbu s GLN 27 Ca 0.00 -0.72 -0.30 0.00 -1.82 0.00 0.00 55.36 52.52 1nbu s GLN 27 Cb 0.00 0.42 -0.04 0.00 -1.09 0.00 0.00 33.01 32.30 1nbu s GLN 27 CO 0.00 -0.58 1.03 0.50 -1.32 0.00 0.00 175.29 174.92 1nbu s ARG 28 N -3.18 4.55 0.07 9.60 3.52 -1.26 -0.98 118.95 131.26 1nbu s ARG 28 Ca 0.13 1.51 0.07 0.00 -0.13 0.00 0.00 55.73 57.32 1nbu s ARG 28 Cb -0.02 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.92 1nbu s ARG 28 CO 0.03 -0.06 -0.16 -0.06 -0.81 0.00 0.00 175.30 174.24 1nbu s PHE 29 N 0.84 2.60 -0.07 5.12 0.40 -0.51 -4.31 117.98 122.04 1nbu s PHE 29 Ca 0.53 -0.23 0.03 0.00 -0.60 0.00 0.00 56.93 56.66 1nbu s PHE 29 Cb -0.24 -1.44 0.00 0.00 0.51 0.00 0.00 43.02 41.86 1nbu s PHE 29 CO 0.29 0.32 -0.18 0.08 0.70 0.00 0.00 175.22 176.43 1nbu s VAL 30 N -1.03 1.55 -0.06 -0.44 1.01 -0.63 -1.26 120.40 119.54 1nbu s VAL 30 Ca 0.17 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.47 1nbu s VAL 30 Cb -0.11 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1nbu s VAL 30 CO 0.08 0.44 -0.23 -0.63 0.00 0.00 0.00 175.10 174.76 1nbu s ILE 31 N 0.41 1.94 -0.03 2.22 -1.09 0.12 0.31 121.20 125.09 1nbu s ILE 31 Ca -0.14 -0.99 0.05 0.00 -2.23 0.00 0.00 60.65 57.34 1nbu s ILE 31 Cb -0.16 -1.65 -0.03 0.00 -1.58 0.00 0.00 42.46 39.04 1nbu s ILE 31 CO 0.05 0.54 -0.17 -1.81 -1.23 0.00 0.00 174.94 172.32 1nbu s ASP 32 N -0.01 3.77 -0.06 3.58 1.01 -0.24 -0.91 116.67 123.81 1nbu s ASP 32 Ca -0.07 -0.29 0.02 0.00 0.71 0.00 0.00 52.55 52.92 1nbu s ASP 32 Cb -0.14 -0.70 0.02 0.00 1.01 0.00 0.00 42.92 43.10 1nbu s ASP 32 CO 0.05 0.33 -0.09 -0.69 0.21 0.00 0.00 175.17 174.97 1nbu s VAL 33 N -0.73 0.87 -0.16 -1.27 1.01 -0.38 0.26 120.40 119.99 1nbu s VAL 33 Ca 0.12 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1nbu s VAL 33 Cb -0.10 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.46 1nbu s VAL 33 CO 0.01 0.30 -0.19 -0.89 0.00 0.00 0.00 175.10 174.33 1nbu s THR 34 N 0.76 2.28 -0.30 3.92 2.01 -0.08 -0.28 115.64 123.95 1nbu s THR 34 Ca -0.13 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 60.94 1nbu s THR 34 Cb -0.15 -1.94 0.04 0.00 0.01 0.00 0.00 72.50 70.46 1nbu s THR 34 CO 0.02 0.53 0.02 -0.69 -0.69 0.00 0.00 174.62 173.82 1nbu s VAL 35 N 1.00 3.21 -0.18 3.82 1.01 -0.06 -0.77 120.40 128.43 1nbu s VAL 35 Ca -0.02 -1.26 -0.23 0.00 0.00 0.00 0.00 61.98 60.47 1nbu s VAL 35 Cb -0.15 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1nbu s VAL 35 CO -0.05 -0.09 0.75 0.26 0.00 0.00 0.00 175.10 175.98 1nbu s TRP 36 N 1.31 3.40 -0.06 5.22 0.51 -0.01 -0.67 118.94 128.63 1nbu s TRP 36 Ca -0.04 1.12 -0.29 0.00 -2.12 0.00 0.00 56.10 54.77 1nbu s TRP 36 Cb -0.19 -2.93 0.07 0.00 -0.81 0.00 0.00 33.47 29.60 1nbu s TRP 36 CO -0.00 -0.22 0.66 -1.50 -0.51 0.00 0.00 176.95 175.38 1nbu s ILE 37 N 2.07 0.00 -0.01 2.03 2.07 -1.07 0.66 121.20 126.96 1nbu s ILE 37 Ca 0.34 -0.03 -0.30 0.00 -1.41 0.00 0.00 60.65 59.25 1nbu s ILE 37 Cb -0.16 -0.97 -0.04 0.00 0.13 0.00 0.00 42.46 41.42 1nbu s ILE 37 CO 0.11 -0.02 1.15 -0.62 -1.91 0.00 0.00 174.94 173.66 1nbu s ASP 38 N -1.08 7.13 -0.04 4.50 -1.08 -1.26 -4.25 116.67 120.60 1nbu s ASP 38 Ca -0.10 1.84 0.11 0.00 -0.52 0.00 0.00 52.55 53.87 1nbu s ASP 38 Cb -0.01 -2.57 0.30 0.00 -1.46 0.00 0.00 42.92 39.19 1nbu s ASP 38 CO 0.09 -0.48 1.25 0.18 0.52 0.00 0.00 175.17 176.73 1nbu n LEU 39 N 4.52 2.96 -0.04 -1.34 4.77 -1.26 -4.64 117.00 121.97 1nbu n LEU 39 Ca 0.09 -2.22 -0.11 0.00 -0.03 0.00 0.00 56.01 53.75 1nbu n LEU 39 Cb 0.47 -0.26 0.04 0.00 -2.33 0.00 0.00 43.42 41.33 1nbu n LEU 39 CO 0.55 0.69 0.52 0.00 -1.33 0.00 0.00 177.39 177.82 1nbu h ALA 40 N 1.65 0.68 -0.52 -1.18 0.00 -1.94 -2.53 119.26 115.41 1nbu h ALA 40 Ca 0.00 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1nbu h ALA 40 Cb 0.84 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1nbu h ALA 40 CO 0.04 0.67 0.11 1.49 0.00 0.00 0.00 179.25 181.57 1nbu h GLU 41 N 0.56 0.84 -0.43 0.00 4.57 -1.89 0.14 114.58 118.38 1nbu h GLU 41 Ca 0.03 -0.21 -0.07 0.00 -1.18 0.00 0.00 59.36 57.93 1nbu h GLU 41 Cb 1.02 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 1nbu h GLU 41 CO 0.10 0.81 -0.01 0.00 -1.18 0.00 0.00 179.01 178.73 1nbu h ALA 42 N 0.99 1.18 -0.16 2.92 0.00 -1.68 -0.47 119.26 122.05 1nbu h ALA 42 Ca 0.16 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1nbu h ALA 42 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1nbu h ALA 42 CO 0.00 0.53 -0.52 0.00 0.00 0.00 0.00 179.25 179.26 1nbu h ALA 43 N 1.33 0.80 0.05 0.00 0.00 -1.17 0.27 119.26 120.55 1nbu h ALA 43 Ca 0.13 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1nbu h ALA 43 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1nbu h ALA 43 CO 0.02 0.68 -0.05 -0.91 0.00 0.00 0.00 179.25 178.98 1nbu h ASN 44 N 0.34 -0.14 0.65 0.00 -0.26 0.13 -3.29 115.58 113.01 1nbu h ASN 44 Ca 0.01 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 1nbu h ASN 44 Cb 1.04 0.05 0.00 0.00 -1.06 0.00 0.00 38.32 38.35 1nbu h ASN 44 CO 0.09 -0.09 -1.27 -1.54 -1.06 0.00 0.00 177.43 173.57 1nbu n SER 45 N -5.16 0.59 -2.58 5.81 3.41 -0.27 -4.98 113.62 110.44 1nbu n SER 45 Ca -0.07 0.17 -0.17 0.00 -0.26 0.00 0.00 58.87 58.54 1nbu n SER 45 Cb 0.09 0.91 -0.00 0.00 -0.26 0.00 0.00 64.21 64.95 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 -2.46 -4.76 -4.29 4.04 2.03 0.96 -4.98 116.55 107.09 1nbu n ASP 46 Ca -0.01 0.02 -0.34 0.00 0.52 0.00 0.00 54.79 54.98 1nbu n ASP 46 Cb 0.54 -3.98 -0.14 0.00 -0.72 0.00 0.00 41.12 36.82 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 -2.18 4.05 0.54 1.67 2.15 -1.25 -5.01 116.67 116.65 1nbu s ASP 47 Ca 0.07 -0.42 0.28 0.00 0.43 0.00 0.00 52.55 52.91 1nbu s ASP 47 Cb -0.04 -1.67 1.45 0.00 -0.30 0.00 0.00 42.92 42.36 1nbu s ASP 47 CO 0.09 0.02 1.95 0.25 -0.17 0.00 0.00 175.17 177.32 1nbu h LEU 48 N 7.79 0.00 -1.93 -1.34 5.85 -1.93 0.14 115.31 123.89 1nbu h LEU 48 Ca -0.39 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1nbu h LEU 48 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1nbu h LEU 48 CO 0.60 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.70 1nbu h ALA 49 N 1.64 1.00 -0.19 1.25 0.00 -2.00 -2.33 119.26 118.63 1nbu h ALA 49 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1nbu h ALA 49 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1nbu h ALA 49 CO -0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1nbu n ASP 50 N -3.06 1.66 -2.98 0.00 8.00 0.51 -4.87 116.55 115.80 1nbu n ASP 50 Ca -0.01 -1.75 -0.16 0.00 0.71 0.00 0.00 54.79 53.59 1nbu n ASP 50 Cb 0.23 -0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 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 0.33 0.00 -3.29 -3.53 5.66 -0.88 -4.04 114.28 108.53 1nbu n THR 51 Ca 0.15 -1.44 -0.41 0.00 -3.05 0.00 0.00 64.05 59.30 1nbu n THR 51 Cb 0.32 0.50 -0.08 0.00 -1.55 0.00 0.00 70.33 69.51 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 -2.44 3.21 -0.08 1.09 6.14 -1.26 -5.01 117.35 118.99 1nbu s TYR 52 Ca 0.12 0.27 -0.29 0.00 0.64 0.00 0.00 57.07 57.81 1nbu s TYR 52 Cb 0.01 -2.79 -0.06 0.00 0.42 0.00 0.00 41.96 39.53 1nbu s TYR 52 CO 0.08 -0.42 1.85 0.34 0.64 0.00 0.00 175.55 178.04 1nbu s ASP 53 N 1.70 6.34 0.39 4.32 2.15 -1.26 -4.87 116.67 125.43 1nbu s ASP 53 Ca 0.18 2.22 0.07 0.00 0.43 0.00 0.00 52.55 55.44 1nbu s ASP 53 Cb -0.16 -2.53 0.79 0.00 -0.30 0.00 0.00 42.92 40.72 1nbu s ASP 53 CO 0.12 -1.21 1.98 0.10 -0.17 0.00 0.00 175.17 175.99 1nbu h TYR 54 N 11.05 0.45 -0.57 -5.34 -0.00 -1.99 -2.31 116.97 118.26 1nbu h TYR 54 Ca -0.42 -0.02 -0.00 0.00 0.00 0.00 0.00 58.73 58.29 1nbu h TYR 54 Cb 1.20 -0.14 -0.03 0.00 0.00 0.00 0.00 36.73 37.77 1nbu h TYR 54 CO 0.93 0.38 0.35 0.28 -0.00 0.00 0.00 178.16 180.10 1nbu h VAL 55 N 0.45 1.17 0.00 -0.90 2.07 -2.00 -0.97 116.25 116.06 1nbu h VAL 55 Ca 0.11 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 1nbu h VAL 55 Cb 0.14 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1nbu h VAL 55 CO -0.01 0.17 -0.51 0.03 0.02 0.00 0.00 177.57 177.27 1nbu h ARG 56 N 0.77 0.00 -0.25 1.57 3.08 -1.90 -2.41 114.38 115.23 1nbu h ARG 56 Ca 0.20 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.32 1nbu h ARG 56 Cb -0.03 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.95 1nbu h ARG 56 CO -0.04 0.28 -0.28 1.25 -1.07 0.00 0.00 179.97 180.11 1nbu h LEU 57 N 0.00 -0.89 -0.36 3.04 6.46 -1.09 -1.34 115.31 121.13 1nbu h LEU 57 Ca -0.02 0.15 -0.08 0.00 -0.12 0.00 0.00 57.88 57.81 1nbu h LEU 57 Cb 1.26 0.41 -0.01 0.00 -0.73 0.00 0.00 40.66 41.59 1nbu h LEU 57 CO 0.04 -0.31 -0.11 0.00 -0.62 0.00 0.00 178.44 177.44 1nbu h ALA 58 N 0.71 0.49 0.01 1.25 0.00 -1.10 -1.95 119.26 118.67 1nbu h ALA 58 Ca 0.14 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1nbu h ALA 58 Cb 0.50 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1nbu h ALA 58 CO -0.41 0.36 -0.39 1.03 0.00 0.00 0.00 179.25 179.83 1nbu h SER 59 N 0.49 -1.19 -0.61 0.00 0.87 -1.38 -1.04 113.55 110.68 1nbu h SER 59 Ca 0.09 0.15 -0.07 0.00 -1.23 0.00 0.00 61.79 60.72 1nbu h SER 59 Cb 0.62 0.47 -0.02 0.00 -0.44 0.00 0.00 62.40 63.02 1nbu h SER 59 CO 0.04 -0.44 0.11 -0.09 -0.53 0.00 0.00 176.83 175.92 1nbu h ARG 60 N -0.56 1.01 -0.46 2.24 9.65 -1.21 -0.18 114.38 124.87 1nbu h ARG 60 Ca 0.05 -0.26 0.03 0.00 -1.10 0.00 0.00 59.98 58.69 1nbu h ARG 60 Cb 0.64 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.06 1nbu h ARG 60 CO -0.30 0.94 0.26 0.00 2.80 0.00 0.00 179.97 183.67 1nbu h ALA 61 N 1.03 0.59 -0.50 2.80 0.00 -1.26 -1.17 119.26 120.75 1nbu h ALA 61 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1nbu h ALA 61 Cb 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1nbu h ALA 61 CO 0.01 -0.07 -0.07 0.00 0.00 0.00 0.00 179.25 179.12 1nbu h ALA 62 N 1.22 0.93 -0.72 0.00 0.00 -0.70 -0.89 119.26 119.09 1nbu h ALA 62 Ca 0.19 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1nbu h ALA 62 Cb 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1nbu h ALA 62 CO -0.10 0.63 0.38 0.93 0.00 0.00 0.00 179.25 181.09 1nbu h GLU 63 N 0.82 1.02 -0.47 0.00 5.08 -0.67 0.12 114.58 120.48 1nbu h GLU 63 Ca 0.14 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1nbu h GLU 63 Cb 0.58 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1nbu h GLU 63 CO 0.04 0.78 0.05 0.82 -1.00 0.00 0.00 179.01 179.69 1nbu h ILE 64 N 1.00 1.25 -0.41 3.13 2.04 -0.73 -1.54 117.51 122.25 1nbu h ILE 64 Ca 0.25 -0.97 -0.11 0.00 1.00 0.00 0.00 64.86 65.03 1nbu h ILE 64 Cb 0.06 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1nbu h ILE 64 CO -0.04 0.34 -0.18 0.58 0.00 0.00 0.00 178.15 178.85 1nbu h VAL 65 N 0.65 1.27 -0.02 1.67 2.07 -0.81 -2.47 116.25 118.61 1nbu h VAL 65 Ca 0.14 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1nbu h VAL 65 Cb 0.44 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1nbu h VAL 65 CO 0.02 0.43 0.00 0.00 0.02 0.00 0.00 177.57 178.04 1nbu n ALA 66 N -2.50 2.63 -1.20 1.67 0.00 0.39 -4.51 120.51 116.99 1nbu n ALA 66 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1nbu n ALA 66 Cb 0.41 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 1.00 0.03 3.66 0.00 0.00 -0.59 -4.92 105.19 104.37 1nbu n GLY 67 Ca 0.20 -1.69 -0.55 0.00 0.00 0.00 0.00 46.02 43.98 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 1.24 -2.02 1.61 -0.02 -1.26 -4.81 135.00 129.74 1nbu n PRO 68 Ca 0.00 0.45 -0.40 0.00 -2.02 0.00 0.00 63.50 61.53 1nbu n PRO 68 Cb 0.00 -2.13 -0.01 0.00 -0.02 0.00 0.00 33.50 31.34 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 2.35 4.03 0.29 0.52 0.02 -1.26 -5.01 135.00 135.94 1nbu s PRO 69 Ca 0.92 2.22 0.09 0.00 0.02 0.00 0.00 61.00 64.26 1nbu s PRO 69 Cb -0.99 -2.82 -0.05 0.00 0.02 0.00 0.00 34.50 30.66 1nbu s PRO 69 CO 0.57 -0.47 0.01 1.03 -0.33 0.00 0.00 177.00 177.81 1nbu s ARG 70 N -2.16 2.22 -0.04 5.54 1.81 -1.26 -4.98 118.95 120.08 1nbu s ARG 70 Ca 0.55 -1.53 -0.26 0.00 -1.72 0.00 0.00 55.73 52.78 1nbu s ARG 70 Cb -0.39 -2.09 -0.20 0.00 -0.45 0.00 0.00 34.95 31.81 1nbu s ARG 70 CO 0.51 0.28 1.17 0.87 -0.68 0.00 0.00 175.30 177.46 1nbu h LYS 71 N 1.85 -0.04 -5.82 3.54 1.57 -1.94 0.50 116.57 116.22 1nbu h LYS 71 Ca -0.44 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.68 1nbu h LYS 71 Cb 1.25 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 33.47 1nbu h LYS 71 CO 0.62 0.48 -0.55 -0.51 -0.57 0.00 0.00 179.45 178.92 1nbu s LEU 72 N -9.12 4.01 0.52 2.94 1.43 -1.26 -2.44 118.68 114.76 1nbu s LEU 72 Ca -0.16 0.30 0.30 0.00 -1.03 0.00 0.00 54.13 53.54 1nbu s LEU 72 Cb 0.01 -2.02 1.31 0.00 0.03 0.00 0.00 46.19 45.52 1nbu s LEU 72 CO 0.65 0.37 1.97 0.16 0.23 0.00 0.00 176.35 179.74 1nbu h ILE 73 N 3.90 0.28 -0.73 -0.59 3.07 -1.97 -2.35 117.51 119.12 1nbu h ILE 73 Ca -0.52 -0.68 0.15 0.00 1.55 0.00 0.00 64.86 65.36 1nbu h ILE 73 Cb 1.21 1.53 -0.10 0.00 -0.27 0.00 0.00 36.82 39.18 1nbu h ILE 73 CO 0.58 0.09 0.20 -0.33 -1.05 0.00 0.00 178.15 177.64 1nbu h GLU 74 N 0.00 0.30 -0.34 0.16 3.07 -1.95 -0.69 114.58 115.13 1nbu h GLU 74 Ca -0.00 -0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 58.69 1nbu h GLU 74 Cb 0.52 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1nbu h GLU 74 CO 0.01 0.20 -0.40 1.15 -1.40 0.00 0.00 179.01 178.57 1nbu h THR 75 N 0.31 1.28 -0.18 1.13 2.02 -1.84 -1.08 112.91 114.55 1nbu h THR 75 Ca 0.41 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 66.01 1nbu h THR 75 Cb 0.67 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 1nbu h THR 75 CO -0.48 0.52 0.11 0.58 0.37 0.00 0.00 175.52 176.63 1nbu h VAL 76 N 0.68 1.06 -0.43 3.16 2.07 -1.44 -2.12 116.25 119.23 1nbu h VAL 76 Ca 0.05 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1nbu h VAL 76 Cb 0.97 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1nbu h VAL 76 CO 0.09 0.06 -0.03 1.23 0.02 0.00 0.00 177.57 178.94 1nbu h GLY 77 N 0.22 0.76 1.01 2.17 0.00 -0.86 -2.42 103.07 103.96 1nbu h GLY 77 Ca 0.06 -0.51 0.01 0.00 0.00 0.00 0.00 47.33 46.89 1nbu h GLY 77 CO -0.01 0.47 0.57 0.00 0.00 0.00 0.00 176.54 177.57 1nbu h ALA 78 N 1.31 1.11 -0.27 3.60 0.00 -0.81 0.20 119.26 124.40 1nbu h ALA 78 Ca 0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1nbu h ALA 78 Cb 0.45 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1nbu h ALA 78 CO 0.02 0.53 0.03 1.49 0.00 0.00 0.00 179.25 181.31 1nbu h GLU 79 N 1.19 0.45 -0.42 0.00 4.81 -1.15 0.16 114.58 119.62 1nbu h GLU 79 Ca 0.32 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1nbu h GLU 79 Cb -0.12 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 1nbu h GLU 79 CO -0.07 0.59 0.11 0.82 -0.73 0.00 0.00 179.01 179.73 1nbu h ILE 80 N 0.25 1.23 -0.62 2.32 2.04 -1.10 -1.87 117.51 119.76 1nbu h ILE 80 Ca 0.08 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1nbu h ILE 80 Cb 0.37 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1nbu h ILE 80 CO 0.01 0.27 0.40 0.00 0.00 0.00 0.00 178.15 178.83 1nbu h ALA 81 N 0.96 0.78 -0.19 1.87 0.00 -0.87 -1.99 119.26 119.82 1nbu h ALA 81 Ca 0.13 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1nbu h ALA 81 Cb 0.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1nbu h ALA 81 CO 0.00 0.22 -0.21 -0.44 0.00 0.00 0.00 179.25 178.82 1nbu h ASP 82 N 0.83 0.32 -0.45 0.00 3.32 -0.89 -2.04 116.42 117.51 1nbu h ASP 82 Ca 0.22 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1nbu h ASP 82 Cb -0.08 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1nbu h ASP 82 CO -0.05 0.54 0.18 -0.74 -1.72 0.00 0.00 179.24 177.45 1nbu h HIS 83 N 0.30 0.69 -0.72 4.55 -0.00 -0.66 -2.76 115.15 116.54 1nbu h HIS 83 Ca 0.05 -0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 1nbu h HIS 83 Cb 0.54 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 27.71 1nbu h HIS 83 CO 0.01 0.59 0.32 0.28 -0.00 0.00 0.00 177.93 179.13 1nbu h VAL 84 N 0.59 1.23 0.00 5.26 2.07 -0.92 -1.66 116.25 122.82 1nbu h VAL 84 Ca 0.15 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1nbu h VAL 84 Cb 0.19 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1nbu h VAL 84 CO -0.01 0.29 0.00 0.23 0.02 0.00 0.00 177.57 178.09 1nbu n MET 85 N -4.31 0.01 0.18 1.57 2.00 -0.81 -2.11 117.12 113.64 1nbu n MET 85 Ca 0.07 0.26 0.12 0.00 0.00 0.00 0.00 57.70 58.14 1nbu n MET 85 Cb 0.15 -1.52 0.66 0.00 0.00 0.00 0.00 33.22 32.51 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 -3.57 7.83 3.45 -1.10 -3.37 116.42 119.65 1nbu h ASP 86 Ca 0.00 0.00 -0.59 0.00 0.43 0.00 0.00 57.03 56.87 1nbu h ASP 86 Cb 0.26 0.00 -0.09 0.00 -0.56 0.00 0.00 39.33 38.94 1nbu h ASP 86 CO 0.00 0.00 0.64 -0.62 -1.57 0.00 0.00 179.24 177.69 1nbu s ASP 87 N -6.79 6.61 0.20 6.45 -1.08 -0.90 -4.91 116.67 116.26 1nbu s ASP 87 Ca -0.05 0.41 0.17 0.00 -0.52 0.00 0.00 52.55 52.56 1nbu s ASP 87 Cb 0.18 -2.47 0.81 0.00 -1.46 0.00 0.00 42.92 39.98 1nbu s ASP 87 CO 0.69 -0.97 1.51 0.00 0.52 0.00 0.00 175.17 176.92 1nbu n GLN 88 N 7.04 0.11 0.18 4.34 1.13 -1.26 -1.19 117.38 127.72 1nbu n GLN 88 Ca 0.07 0.50 0.13 0.00 -1.94 0.00 0.00 57.00 55.77 1nbu n GLN 88 Cb 0.48 -1.78 0.39 0.00 0.11 0.00 0.00 30.24 29.44 1nbu n GLN 88 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1nbu h ARG 89 N 0.00 0.00 -6.40 -1.09 3.08 -1.91 -3.46 114.38 104.60 1nbu h ARG 89 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 1nbu h ARG 89 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1nbu h ARG 89 CO 0.00 0.00 0.65 0.08 -1.07 0.00 0.00 179.97 179.63 1nbu s VAL 90 N -3.28 4.07 0.06 2.04 1.01 -0.34 -4.53 120.40 119.44 1nbu s VAL 90 Ca 0.07 1.45 -0.11 0.00 0.00 0.00 0.00 61.98 63.39 1nbu s VAL 90 Cb 0.09 -3.93 -0.31 0.00 0.00 0.00 0.00 36.38 32.22 1nbu s VAL 90 CO 0.58 0.05 1.08 0.45 0.00 0.00 0.00 175.10 177.26 1nbu h HIS 91 N 7.19 0.79 -2.23 5.22 3.86 -0.10 -3.46 115.15 126.42 1nbu h HIS 91 Ca -0.38 -0.56 0.11 0.00 -1.16 0.00 0.00 60.37 58.37 1nbu h HIS 91 Cb 1.19 -0.04 -0.16 0.00 1.06 0.00 0.00 27.41 29.46 1nbu h HIS 91 CO 0.70 1.43 0.49 0.00 0.86 0.00 0.00 177.93 181.42 1nbu s ALA 92 N -2.70 -1.83 0.02 2.45 0.00 -1.18 -2.00 121.76 116.52 1nbu s ALA 92 Ca -0.07 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.93 1nbu s ALA 92 Cb 0.06 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 1nbu s ALA 92 CO 0.92 -0.66 0.00 0.54 0.00 0.00 0.00 175.76 176.56 1nbu s VAL 93 N -2.98 0.13 -0.04 0.00 0.11 -0.12 -0.83 120.40 116.66 1nbu s VAL 93 Ca 0.04 -1.04 0.03 0.00 -2.93 0.00 0.00 61.98 58.08 1nbu s VAL 93 Cb -0.01 -0.53 0.01 0.00 -1.53 0.00 0.00 36.38 34.32 1nbu s VAL 93 CO -0.08 -0.57 -0.11 -1.61 -3.33 0.00 0.00 175.10 169.40 1nbu s GLU 94 N -1.92 1.32 -0.17 1.54 2.02 0.05 -1.91 118.70 119.62 1nbu s GLU 94 Ca -0.11 -0.36 -0.01 0.00 0.02 0.00 0.00 54.97 54.50 1nbu s GLU 94 Cb -0.06 -1.16 -0.00 0.00 0.10 0.00 0.00 34.13 33.00 1nbu s GLU 94 CO -0.02 0.08 -0.12 0.08 0.02 0.00 0.00 175.26 175.30 1nbu s VAL 95 N 0.41 2.85 -0.26 2.63 1.01 -0.15 -0.90 120.40 126.00 1nbu s VAL 95 Ca -0.08 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 1nbu s VAL 95 Cb -0.12 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1nbu s VAL 95 CO 0.02 0.49 0.12 0.00 0.00 0.00 0.00 175.10 175.73 1nbu s ALA 96 N 1.00 3.34 -0.33 5.51 0.00 0.14 -1.01 121.76 130.40 1nbu s ALA 96 Ca -0.01 -1.08 -0.08 0.00 0.00 0.00 0.00 51.96 50.79 1nbu s ALA 96 Cb -0.15 -2.23 0.02 0.00 0.00 0.00 0.00 23.12 20.76 1nbu s ALA 96 CO -0.02 -0.45 0.13 0.08 0.00 0.00 0.00 175.76 175.50 1nbu s VAL 97 N 1.56 4.16 -0.07 0.00 1.01 -0.14 -1.08 120.40 125.84 1nbu s VAL 97 Ca 0.06 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 1nbu s VAL 97 Cb -0.15 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1nbu s VAL 97 CO 0.06 -0.10 0.14 -1.00 0.00 0.00 0.00 175.10 174.20 1nbu s HIS 98 N 1.50 3.53 -0.58 5.22 3.76 0.15 -1.63 115.29 127.24 1nbu s HIS 98 Ca 0.01 0.42 0.06 0.00 -0.15 0.00 0.00 55.06 55.41 1nbu s HIS 98 Cb -0.18 -1.88 0.25 0.00 1.11 0.00 0.00 32.58 31.88 1nbu s HIS 98 CO 0.04 0.67 0.69 1.17 -0.85 0.00 0.00 174.74 176.46 1nbu n LYS 99 N 1.58 2.06 0.09 1.40 4.81 0.11 -1.60 118.16 126.61 1nbu n LYS 99 Ca -0.16 -4.31 0.10 0.00 -0.87 0.00 0.00 58.31 53.07 1nbu n LYS 99 Cb 0.54 -2.00 0.43 0.00 0.02 0.00 0.00 35.03 34.02 1nbu n LYS 99 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1nbu n PRO 100 N 1.01 0.13 -0.49 1.64 -0.04 -1.26 -2.02 135.00 133.96 1nbu n PRO 100 Ca 0.28 0.40 0.06 0.00 -0.04 0.00 0.00 63.50 64.19 1nbu n PRO 100 Cb 0.44 -1.76 0.24 0.00 -0.04 0.00 0.00 33.50 32.38 1nbu n PRO 100 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1nbu n GLN 101 N -2.01 2.60 -1.59 0.54 6.02 -1.26 -4.74 117.38 116.94 1nbu n GLN 101 Ca 0.02 -2.89 -0.52 0.00 -0.01 0.00 0.00 57.00 53.60 1nbu n GLN 101 Cb 0.19 -1.82 -0.06 0.00 1.02 0.00 0.00 30.24 29.57 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 -0.70 -1.09 -2.69 -1.58 0.00 -0.86 -4.80 120.51 108.79 1nbu n ALA 102 Ca 0.24 0.52 -0.43 0.00 0.00 0.00 0.00 53.44 53.77 1nbu n ALA 102 Cb 0.91 -2.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.28 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 0.49 3.81 0.12 0.00 0.04 -1.26 -4.90 135.00 133.30 1nbu s PRO 103 Ca 0.85 -1.77 0.08 0.00 0.04 0.00 0.00 61.00 60.20 1nbu s PRO 103 Cb -0.97 -5.30 -0.04 0.00 0.04 0.00 0.00 34.50 28.23 1nbu s PRO 103 CO 0.47 -2.08 -0.20 0.96 0.04 0.00 0.00 177.00 176.20 1nbu s ILE 104 N 3.78 1.70 -0.56 0.56 -4.36 -1.26 -5.06 121.20 116.01 1nbu s ILE 104 Ca 0.46 -1.65 0.26 0.00 -0.26 0.00 0.00 60.65 59.45 1nbu s ILE 104 Cb 0.00 -1.62 0.30 0.00 1.25 0.00 0.00 42.46 42.39 1nbu s ILE 104 CO -0.02 -0.16 1.74 1.55 0.24 0.00 0.00 174.94 178.29 1nbu h PRO 105 N 3.82 0.00 -7.35 0.37 0.13 -2.04 -3.45 132.00 123.48 1nbu h PRO 105 Ca -0.45 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.20 1nbu h PRO 105 Cb 1.19 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.46 1nbu h PRO 105 CO 0.43 0.00 0.27 -0.65 -0.23 0.00 0.00 178.00 177.82 1nbu s GLN 106 N -3.20 1.40 -0.33 0.86 1.11 -1.26 -5.04 119.66 113.21 1nbu s GLN 106 Ca 0.08 0.79 -0.11 0.00 0.01 0.00 0.00 55.36 56.13 1nbu s GLN 106 Cb 0.10 -1.83 -0.01 0.00 -1.01 0.00 0.00 33.01 30.26 1nbu s GLN 106 CO 0.58 -2.13 0.19 0.99 0.01 0.00 0.00 175.29 174.93 1nbu s THR 107 N -2.98 4.88 0.12 -0.19 2.01 -1.26 -5.08 115.64 113.14 1nbu s THR 107 Ca 0.63 -0.36 -0.12 0.00 0.31 0.00 0.00 61.69 62.15 1nbu s THR 107 Cb -0.17 -3.51 0.01 0.00 0.01 0.00 0.00 72.50 68.84 1nbu s THR 107 CO 0.56 0.02 0.31 0.72 -0.69 0.00 0.00 174.62 175.54 1nbu s PHE 108 N 1.65 0.03 -0.03 4.92 -0.12 -1.26 -5.08 117.98 118.09 1nbu s PHE 108 Ca 0.05 -0.40 -0.09 0.00 -0.05 0.00 0.00 56.93 56.45 1nbu s PHE 108 Cb -0.17 0.10 -0.30 0.00 -0.63 0.00 0.00 43.02 42.02 1nbu s PHE 108 CO 0.08 -0.66 0.72 -0.44 -0.05 0.00 0.00 175.22 174.87 1nbu h ASP 109 N 2.53 0.56 -4.85 1.98 3.32 -1.98 -3.49 116.42 114.49 1nbu h ASP 109 Ca -0.33 -0.82 0.00 0.00 0.02 0.00 0.00 57.03 55.90 1nbu h ASP 109 Cb 1.23 -0.18 -0.16 0.00 0.22 0.00 0.00 39.33 40.44 1nbu h ASP 109 CO 0.50 1.69 0.29 -0.62 -1.72 0.00 0.00 179.24 179.38 1nbu s ASP 110 N -7.20 -0.54 0.01 6.45 3.68 -1.26 -4.82 116.67 112.99 1nbu s ASP 110 Ca -0.14 0.24 0.00 0.00 2.13 0.00 0.00 52.55 54.78 1nbu s ASP 110 Cb 0.06 0.51 -0.01 0.00 -1.45 0.00 0.00 42.92 42.03 1nbu s ASP 110 CO 0.86 -0.74 -0.02 0.54 0.13 0.00 0.00 175.17 175.94 1nbu s VAL 111 N -2.67 0.08 0.18 1.11 0.11 -1.26 -5.02 120.40 112.94 1nbu s VAL 111 Ca -0.02 -0.30 -0.19 0.00 -2.93 0.00 0.00 61.98 58.55 1nbu s VAL 111 Cb -0.01 -0.13 0.04 0.00 -1.53 0.00 0.00 36.38 34.75 1nbu s VAL 111 CO -0.04 -0.13 0.54 0.00 -3.33 0.00 0.00 175.10 172.13 1nbu s ALA 112 N -0.44 -1.10 0.09 1.54 0.00 -1.26 -0.72 121.76 119.87 1nbu s ALA 112 Ca -0.04 -0.05 0.09 0.00 0.00 0.00 0.00 51.96 51.96 1nbu s ALA 112 Cb -0.03 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 1nbu s ALA 112 CO -0.00 -0.79 -0.23 0.14 0.00 0.00 0.00 175.76 174.88 1nbu s VAL 113 N -3.84 1.88 -0.14 0.00 -7.23 -0.65 -4.98 120.40 105.45 1nbu s VAL 113 Ca 0.07 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 1nbu s VAL 113 Cb -0.01 -1.68 0.02 0.00 0.56 0.00 0.00 36.38 35.28 1nbu s VAL 113 CO -0.06 0.06 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.98 1nbu s VAL 114 N -1.04 1.44 -0.19 1.32 1.01 -1.26 -0.97 120.40 120.70 1nbu s VAL 114 Ca 0.09 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 1nbu s VAL 114 Cb -0.10 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1nbu s VAL 114 CO 0.04 0.44 0.06 -0.63 0.00 0.00 0.00 175.10 175.01 1nbu s ILE 115 N 1.52 4.70 -0.06 2.22 -1.09 -0.18 -4.93 121.20 123.37 1nbu s ILE 115 Ca 0.05 -0.06 0.04 0.00 -2.23 0.00 0.00 60.65 58.45 1nbu s ILE 115 Cb -0.13 -3.13 -0.02 0.00 -1.58 0.00 0.00 42.46 37.61 1nbu s ILE 115 CO -0.10 0.44 -0.19 -0.60 -1.23 0.00 0.00 174.94 173.26 1nbu s ARG 116 N 0.58 2.64 0.03 2.79 3.52 -1.26 -0.97 118.95 126.28 1nbu s ARG 116 Ca 0.03 -0.78 0.05 0.00 -0.13 0.00 0.00 55.73 54.90 1nbu s ARG 116 Cb -0.13 -2.32 -0.02 0.00 -1.56 0.00 0.00 34.95 30.92 1nbu s ARG 116 CO 0.01 0.47 -0.16 1.03 -0.81 0.00 0.00 175.30 175.84 1nbu s ARG 117 N -0.34 1.09 0.05 5.12 1.81 -0.80 -5.01 118.95 120.87 1nbu s ARG 117 Ca 0.02 -0.74 -0.02 0.00 -1.72 0.00 0.00 55.73 53.27 1nbu s ARG 117 Cb -0.12 -1.11 0.01 0.00 -0.45 0.00 0.00 34.95 33.27 1nbu s ARG 117 CO 0.02 0.28 0.12 -1.13 -0.68 0.00 0.00 175.30 173.92 1nbu n SER 118 N 2.10 -0.33 0.00 0.23 3.41 -1.26 -0.94 113.62 116.81 1nbu n SER 118 Ca -0.17 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.22 1nbu n SER 118 Cb 0.54 0.56 0.00 0.00 -0.26 0.00 0.00 64.21 65.05 1nbu n SER 118 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42