#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 2.78 -3.49 0.00 8.00 -1.26 -4.96 116.55 117.62 1nbu n ASP 3 Ca 0.00 1.15 -0.12 0.00 0.71 0.00 0.00 54.79 56.54 1nbu n ASP 3 Cb 0.00 -1.44 -0.03 0.00 -0.02 0.00 0.00 41.12 39.63 1nbu n ASP 3 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nbu s ARG 4 N -0.67 1.21 -0.15 -1.24 1.70 -1.26 -2.94 118.95 115.59 1nbu s ARG 4 Ca 0.66 -0.52 -0.04 0.00 -0.47 0.00 0.00 55.73 55.36 1nbu s ARG 4 Cb -0.63 0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 34.27 1nbu s ARG 4 CO 0.52 -0.51 -0.01 0.42 -1.08 0.00 0.00 175.30 174.64 1nbu s ILE 5 N -3.67 4.13 -0.14 4.99 1.01 0.32 -4.96 121.20 122.89 1nbu s ILE 5 Ca 0.01 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.40 1nbu s ILE 5 Cb -0.00 -2.81 0.01 0.00 0.01 0.00 0.00 42.46 39.68 1nbu s ILE 5 CO -0.12 0.51 -0.19 -1.61 0.00 0.00 0.00 174.94 173.53 1nbu s GLU 6 N 0.16 2.67 -0.14 2.79 2.02 -1.26 -1.06 118.70 123.88 1nbu s GLU 6 Ca 0.00 -0.72 -0.02 0.00 0.02 0.00 0.00 54.97 54.25 1nbu s GLU 6 Cb -0.13 -2.24 -0.02 0.00 0.10 0.00 0.00 34.13 31.84 1nbu s GLU 6 CO 0.02 -0.08 -0.07 -1.17 0.02 0.00 0.00 175.26 173.98 1nbu s LEU 7 N 1.02 3.06 -0.01 1.80 2.96 0.43 -4.99 118.68 122.93 1nbu s LEU 7 Ca -0.04 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 1nbu s LEU 7 Cb -0.15 -1.72 -0.00 0.00 0.50 0.00 0.00 46.19 44.82 1nbu s LEU 7 CO -0.04 0.17 -0.09 -0.13 -1.32 0.00 0.00 176.35 174.94 1nbu s ARG 8 N 0.32 0.85 -0.32 1.98 1.81 -1.26 -0.57 118.95 121.76 1nbu s ARG 8 Ca -0.06 -0.33 0.00 0.00 -1.72 0.00 0.00 55.73 53.62 1nbu s ARG 8 Cb -0.15 -0.81 0.00 0.00 -0.45 0.00 0.00 34.95 33.54 1nbu s ARG 8 CO 0.04 0.17 0.00 0.41 -0.68 0.00 0.00 175.30 175.24 1nbu n GLY 9 N 3.02 0.48 3.63 -3.53 0.00 -1.10 -4.96 105.19 102.73 1nbu n GLY 9 Ca -0.15 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.81 3.86 -0.20 0.99 2.96 -0.31 -4.76 118.68 120.41 1nbu s LEU 10 Ca 0.00 1.81 -0.05 0.00 -0.22 0.00 0.00 54.13 55.67 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 -1.40 -0.00 -0.89 -1.32 0.00 0.00 176.35 172.74 1nbu s THR 11 N 5.83 3.92 -0.05 3.68 2.01 -1.26 -0.44 115.64 129.33 1nbu s THR 11 Ca 0.81 -0.32 -0.02 0.00 0.31 0.00 0.00 61.69 62.46 1nbu s THR 11 Cb -0.29 -2.77 0.04 0.00 0.01 0.00 0.00 72.50 69.48 1nbu s THR 11 CO 0.33 0.43 0.11 -0.69 -0.69 0.00 0.00 174.62 174.10 1nbu s VAL 12 N 1.03 -0.06 0.20 3.82 1.01 -0.13 -4.99 120.40 121.28 1nbu s VAL 12 Ca 0.02 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1nbu s VAL 12 Cb -0.14 -0.19 -0.08 0.00 0.00 0.00 0.00 36.38 35.97 1nbu s VAL 12 CO 0.02 0.08 1.12 -2.28 0.00 0.00 0.00 175.10 174.04 1nbu s HIS 13 N 1.18 3.55 0.32 5.22 5.65 -1.26 -1.07 115.29 128.88 1nbu s HIS 13 Ca -0.09 1.58 -0.06 0.00 0.25 0.00 0.00 55.06 56.74 1nbu s HIS 13 Cb -0.12 -3.32 0.02 0.00 -1.18 0.00 0.00 32.58 27.99 1nbu s HIS 13 CO -0.05 -0.75 0.52 0.41 -0.65 0.00 0.00 174.74 174.22 1nbu n GLY 14 N 1.90 1.82 0.58 1.59 0.00 -0.71 -4.38 105.19 105.99 1nbu n GLY 14 Ca 0.02 -1.45 0.05 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.49 0.71 -1.76 1.61 1.74 -1.26 -0.94 116.66 116.27 1nbu n ARG 15 Ca -0.02 -2.15 -0.34 0.00 -0.77 0.00 0.00 57.85 54.56 1nbu n ARG 15 Cb 0.51 -0.94 0.05 0.00 -1.02 0.00 0.00 32.46 31.07 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 -1.54 2.36 0.00 -1.55 3.76 -1.26 -4.49 115.29 112.57 1nbu s HIS 16 Ca 0.24 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.71 1nbu s HIS 16 Cb 0.24 -3.37 0.00 0.00 1.11 0.00 0.00 32.58 30.56 1nbu s HIS 16 CO -0.04 -2.14 0.00 0.41 -0.85 0.00 0.00 174.74 172.12 1nbu n GLY 17 N 0.14 3.84 0.09 -2.22 0.00 0.02 -4.81 105.19 102.25 1nbu n GLY 17 Ca 0.12 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 1nbu n GLY 17 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nbu h VAL 18 N 2.28 1.51 -3.31 1.61 2.07 -1.74 -3.38 116.25 115.30 1nbu h VAL 18 Ca 0.00 -1.79 -0.67 0.00 0.82 0.00 0.00 66.70 65.06 1nbu h VAL 18 Cb 0.00 2.61 -0.14 0.00 -1.52 0.00 0.00 31.29 32.24 1nbu h VAL 18 CO 0.00 0.49 -0.62 -0.31 0.02 0.00 0.00 177.57 177.15 1nbu s TYR 19 N -3.37 3.15 0.25 1.57 1.51 -1.26 -4.98 117.35 114.22 1nbu s TYR 19 Ca -0.16 0.17 -0.04 0.00 -1.01 0.00 0.00 57.07 56.04 1nbu s TYR 19 Cb 0.01 -1.76 0.48 0.00 -0.11 0.00 0.00 41.96 40.59 1nbu s TYR 19 CO 0.73 0.48 1.72 -0.44 -1.11 0.00 0.00 175.55 176.93 1nbu h ASP 20 N 4.88 0.24 0.58 2.29 3.32 -2.01 1.34 116.42 127.07 1nbu h ASP 20 Ca -0.50 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.65 1nbu h ASP 20 Cb 1.19 0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 1nbu h ASP 20 CO 0.56 0.07 -0.10 1.12 -1.72 0.00 0.00 179.24 179.17 1nbu h HIS 21 N 0.41 0.00 0.00 4.55 2.07 -1.98 -1.92 115.15 118.28 1nbu h HIS 21 Ca 0.43 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.95 1nbu h HIS 21 Cb 0.68 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.66 1nbu h HIS 21 CO -0.18 0.10 0.00 0.39 -3.07 0.00 0.00 177.93 175.17 1nbu n GLU 22 N -3.38 0.04 -0.00 5.12 1.02 0.46 -3.37 120.64 120.53 1nbu n GLU 22 Ca -0.01 0.12 0.10 0.00 -0.02 0.00 0.00 57.16 57.35 1nbu n GLU 22 Cb 0.27 -1.56 -0.13 0.00 -0.02 0.00 0.00 31.44 30.00 1nbu n GLU 22 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1nbu n ARG 23 N -1.63 0.33 -0.10 3.49 1.74 -0.72 -2.74 116.66 117.01 1nbu n ARG 23 Ca 0.05 -0.04 -0.09 0.00 -0.77 0.00 0.00 57.85 57.01 1nbu n ARG 23 Cb 0.29 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.25 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 0.00 1.09 0.00 1.55 2.07 -1.61 -3.35 116.25 116.00 1nbu h VAL 24 Ca 0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1nbu h VAL 24 Cb 0.59 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1nbu h VAL 24 CO 0.00 0.09 -0.89 0.00 0.02 0.00 0.00 177.57 176.79 1nbu n ALA 25 N -2.19 2.08 -0.44 1.67 0.00 -1.26 -5.12 120.51 115.25 1nbu n ALA 25 Ca -0.01 -0.04 0.01 0.00 0.00 0.00 0.00 53.44 53.40 1nbu n ALA 25 Cb 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 2.18 -1.65 3.84 0.00 0.00 -1.11 -4.96 105.19 103.49 1nbu n GLY 26 Ca -0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.12 1.52 -0.06 1.61 -2.07 -0.11 -4.98 119.66 115.45 1nbu s GLN 27 Ca 0.00 -0.95 -0.27 0.00 -1.82 0.00 0.00 55.36 52.32 1nbu s GLN 27 Cb 0.00 0.45 -0.03 0.00 -1.09 0.00 0.00 33.01 32.34 1nbu s GLN 27 CO 0.00 -0.71 0.86 0.50 -1.32 0.00 0.00 175.29 174.62 1nbu s ARG 28 N -2.50 4.46 -0.00 9.60 3.52 -1.26 -1.73 118.95 131.02 1nbu s ARG 28 Ca 0.18 1.16 0.05 0.00 -0.13 0.00 0.00 55.73 56.98 1nbu s ARG 28 Cb -0.03 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 1nbu s ARG 28 CO 0.06 -0.08 -0.13 -0.06 -0.81 0.00 0.00 175.30 174.28 1nbu s PHE 29 N 1.23 2.71 -0.11 5.12 0.40 -0.23 -4.27 117.98 122.84 1nbu s PHE 29 Ca 0.44 -0.15 0.02 0.00 -0.60 0.00 0.00 56.93 56.64 1nbu s PHE 29 Cb -0.19 -1.57 0.01 0.00 0.51 0.00 0.00 43.02 41.78 1nbu s PHE 29 CO 0.21 0.27 -0.17 0.08 0.70 0.00 0.00 175.22 176.31 1nbu s VAL 30 N -0.88 1.63 -0.06 -0.44 1.01 -0.64 -0.95 120.40 120.07 1nbu s VAL 30 Ca 0.14 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1nbu s VAL 30 Cb -0.11 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1nbu s VAL 30 CO 0.04 0.47 -0.18 -0.63 0.00 0.00 0.00 175.10 174.80 1nbu s ILE 31 N 0.91 2.74 0.00 2.22 1.09 0.42 -0.34 121.20 128.25 1nbu s ILE 31 Ca -0.07 -0.83 0.07 0.00 -1.10 0.00 0.00 60.65 58.72 1nbu s ILE 31 Cb -0.15 -2.06 -0.03 0.00 -1.06 0.00 0.00 42.46 39.16 1nbu s ILE 31 CO -0.01 0.57 -0.21 -1.81 -0.10 0.00 0.00 174.94 173.38 1nbu s ASP 32 N -0.42 3.49 -0.02 3.58 1.01 -0.45 -1.16 116.67 122.70 1nbu s ASP 32 Ca 0.04 -0.42 0.03 0.00 0.71 0.00 0.00 52.55 52.91 1nbu s ASP 32 Cb -0.12 -0.51 -0.00 0.00 1.01 0.00 0.00 42.92 43.29 1nbu s ASP 32 CO 0.02 0.30 -0.10 -0.69 0.21 0.00 0.00 175.17 174.90 1nbu s VAL 33 N -0.76 0.84 -0.11 -1.27 1.01 0.27 -0.95 120.40 119.43 1nbu s VAL 33 Ca 0.12 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1nbu s VAL 33 Cb -0.10 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.56 1nbu s VAL 33 CO 0.02 0.25 -0.13 -0.89 0.00 0.00 0.00 175.10 174.35 1nbu s THR 34 N 0.05 1.39 -0.29 3.92 2.01 0.01 -0.43 115.64 122.31 1nbu s THR 34 Ca -0.01 -0.56 -0.03 0.00 0.31 0.00 0.00 61.69 61.40 1nbu s THR 34 Cb -0.07 -1.30 0.04 0.00 0.01 0.00 0.00 72.50 71.17 1nbu s THR 34 CO 0.00 0.42 0.00 -0.69 -0.69 0.00 0.00 174.62 173.67 1nbu s VAL 35 N 1.18 3.13 -0.31 3.82 1.01 -0.22 -1.10 120.40 127.92 1nbu s VAL 35 Ca -0.03 -1.20 -0.21 0.00 0.00 0.00 0.00 61.98 60.54 1nbu s VAL 35 Cb -0.14 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 1nbu s VAL 35 CO -0.04 -0.02 0.66 0.26 0.00 0.00 0.00 175.10 175.96 1nbu s TRP 36 N 1.31 3.20 -0.06 5.22 0.51 -0.03 -0.52 118.94 128.57 1nbu s TRP 36 Ca -0.03 0.60 -0.17 0.00 -2.12 0.00 0.00 56.10 54.38 1nbu s TRP 36 Cb -0.19 -3.05 0.04 0.00 -0.81 0.00 0.00 33.47 29.46 1nbu s TRP 36 CO -0.01 -0.51 0.40 -1.50 -0.51 0.00 0.00 176.95 174.81 1nbu s ILE 37 N 2.69 0.03 0.08 2.03 2.07 -1.15 -0.07 121.20 126.89 1nbu s ILE 37 Ca 0.26 -0.27 -0.30 0.00 -1.41 0.00 0.00 60.65 58.93 1nbu s ILE 37 Cb -0.15 -0.67 -0.06 0.00 0.13 0.00 0.00 42.46 41.72 1nbu s ILE 37 CO 0.12 -0.15 1.19 -0.62 -1.91 0.00 0.00 174.94 173.58 1nbu s ASP 38 N -0.88 7.09 0.00 4.50 3.68 -1.26 -4.29 116.67 125.51 1nbu s ASP 38 Ca -0.09 2.05 0.13 0.00 2.13 0.00 0.00 52.55 56.76 1nbu s ASP 38 Cb -0.04 -2.58 0.28 0.00 -1.45 0.00 0.00 42.92 39.13 1nbu s ASP 38 CO 0.04 -0.44 1.18 0.18 0.13 0.00 0.00 175.17 176.25 1nbu n LEU 39 N 3.67 2.77 -0.21 -1.34 4.77 -1.26 -4.65 117.00 120.75 1nbu n LEU 39 Ca 0.08 -1.69 -0.09 0.00 -0.03 0.00 0.00 56.01 54.29 1nbu n LEU 39 Cb 0.46 -0.19 0.02 0.00 -2.33 0.00 0.00 43.42 41.39 1nbu n LEU 39 CO 0.55 0.65 0.87 0.00 -1.33 0.00 0.00 177.39 178.14 1nbu h ALA 40 N 2.43 0.79 -0.12 -1.18 0.00 -1.95 -1.36 119.26 117.87 1nbu h ALA 40 Ca 0.00 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1nbu h ALA 40 Cb 0.70 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1nbu h ALA 40 CO 0.00 0.56 -0.00 1.49 0.00 0.00 0.00 179.25 181.29 1nbu h GLU 41 N 0.89 0.04 -0.45 0.00 4.81 -1.90 -0.41 114.58 117.56 1nbu h GLU 41 Ca 0.18 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1nbu h GLU 41 Cb 0.44 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1nbu h GLU 41 CO 0.01 0.02 0.05 0.00 -0.73 0.00 0.00 179.01 178.37 1nbu h ALA 42 N 1.11 1.24 0.00 2.92 0.00 -1.67 0.15 119.26 123.01 1nbu h ALA 42 Ca 0.06 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1nbu h ALA 42 Cb 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1nbu h ALA 42 CO -0.10 0.51 -0.28 0.00 0.00 0.00 0.00 179.25 179.39 1nbu h ALA 43 N 1.38 1.51 -0.09 0.00 0.00 -0.65 0.35 119.26 121.75 1nbu h ALA 43 Ca 0.14 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.58 1nbu h ALA 43 Cb 0.35 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1nbu h ALA 43 CO 0.01 0.35 -0.82 -0.91 0.00 0.00 0.00 179.25 177.87 1nbu h ASN 44 N 0.00 0.77 0.13 0.00 -0.26 0.88 -3.34 115.58 113.76 1nbu h ASN 44 Ca -0.00 -0.53 -0.35 0.00 -0.56 0.00 0.00 56.30 54.85 1nbu h ASN 44 Cb 0.50 -0.23 -0.06 0.00 -1.06 0.00 0.00 38.32 37.47 1nbu h ASN 44 CO 0.04 1.32 -2.20 -1.54 -1.06 0.00 0.00 177.43 173.98 1nbu n SER 45 N -3.88 0.35 -1.38 5.81 3.41 0.14 -4.99 113.62 113.08 1nbu n SER 45 Ca -0.07 0.11 -0.13 0.00 -0.26 0.00 0.00 58.87 58.52 1nbu n SER 45 Cb 0.77 0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 65.33 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 -2.86 -4.23 -4.31 4.04 2.03 0.12 -4.99 116.55 106.35 1nbu n ASP 46 Ca -0.29 0.07 -0.36 0.00 0.52 0.00 0.00 54.79 54.73 1nbu n ASP 46 Cb 1.12 -3.29 -0.14 0.00 -0.72 0.00 0.00 41.12 38.10 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 -2.52 4.62 0.51 1.67 -1.08 -1.26 -5.00 116.67 113.61 1nbu s ASP 47 Ca 0.00 -0.58 0.29 0.00 -0.52 0.00 0.00 52.55 51.74 1nbu s ASP 47 Cb 0.00 -1.78 1.40 0.00 -1.46 0.00 0.00 42.92 41.08 1nbu s ASP 47 CO 0.00 -0.10 1.86 0.25 0.52 0.00 0.00 175.17 177.70 1nbu h LEU 48 N 8.14 0.10 -2.44 -1.34 5.85 -1.94 0.48 115.31 124.17 1nbu h LEU 48 Ca -0.36 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 1nbu h LEU 48 Cb 1.14 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 1nbu h LEU 48 CO 0.59 0.03 -0.03 0.00 -0.34 0.00 0.00 178.44 178.70 1nbu h ALA 49 N 1.55 1.26 -0.38 1.25 0.00 -2.00 -2.14 119.26 118.80 1nbu h ALA 49 Ca 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1nbu h ALA 49 Cb 1.69 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1nbu h ALA 49 CO -0.06 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 178.98 1nbu n ASP 50 N -3.49 2.13 -2.48 0.00 8.00 0.16 -4.90 116.55 115.98 1nbu n ASP 50 Ca -0.02 -1.97 -0.11 0.00 0.71 0.00 0.00 54.79 53.40 1nbu n ASP 50 Cb 0.13 -0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 40.95 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 0.66 0.00 -3.43 -3.53 5.66 -0.80 -4.10 114.28 108.74 1nbu n THR 51 Ca 0.14 -1.15 -0.41 0.00 -3.05 0.00 0.00 64.05 59.58 1nbu n THR 51 Cb 0.34 0.45 -0.10 0.00 -1.55 0.00 0.00 70.33 69.48 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 -2.37 3.21 -0.22 1.09 6.14 -1.26 -5.02 117.35 118.92 1nbu s TYR 52 Ca 0.12 -0.25 -0.29 0.00 0.64 0.00 0.00 57.07 57.30 1nbu s TYR 52 Cb 0.01 -2.65 -0.03 0.00 0.42 0.00 0.00 41.96 39.71 1nbu s TYR 52 CO 0.09 -0.49 1.73 0.34 0.64 0.00 0.00 175.55 177.86 1nbu s ASP 53 N 1.73 6.21 0.52 4.32 2.15 -1.26 -4.88 116.67 125.47 1nbu s ASP 53 Ca 0.09 1.68 0.18 0.00 0.43 0.00 0.00 52.55 54.93 1nbu s ASP 53 Cb -0.17 -2.53 1.30 0.00 -0.30 0.00 0.00 42.92 41.22 1nbu s ASP 53 CO 0.11 -1.39 2.12 0.10 -0.17 0.00 0.00 175.17 175.94 1nbu h TYR 54 N 11.50 0.00 -0.37 -5.34 -0.00 -1.99 -2.27 116.97 118.50 1nbu h TYR 54 Ca -0.36 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.38 1nbu h TYR 54 Cb 1.17 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.88 1nbu h TYR 54 CO 0.92 0.00 0.24 0.28 -0.00 0.00 0.00 178.16 179.61 1nbu h VAL 55 N 0.00 1.09 -0.40 -0.90 2.07 -2.00 0.10 116.25 116.21 1nbu h VAL 55 Ca 0.06 -0.17 -0.15 0.00 0.82 0.00 0.00 66.70 67.25 1nbu h VAL 55 Cb 0.23 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1nbu h VAL 55 CO -0.00 0.09 -0.35 0.03 0.02 0.00 0.00 177.57 177.36 1nbu h ARG 56 N 0.49 0.94 -0.27 1.57 3.08 -1.91 -2.36 114.38 115.93 1nbu h ARG 56 Ca 0.14 -0.48 0.06 0.00 0.07 0.00 0.00 59.98 59.77 1nbu h ARG 56 Cb -0.05 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 29.95 1nbu h ARG 56 CO -0.03 1.14 -0.12 1.25 -1.07 0.00 0.00 179.97 181.13 1nbu h LEU 57 N 0.78 -0.40 -0.33 3.04 6.46 -0.81 0.90 115.31 124.94 1nbu h LEU 57 Ca 0.07 0.10 -0.06 0.00 -0.12 0.00 0.00 57.88 57.87 1nbu h LEU 57 Cb 0.94 0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 41.09 1nbu h LEU 57 CO 0.09 -0.15 -0.03 0.00 -0.62 0.00 0.00 178.44 177.73 1nbu h ALA 58 N 1.15 0.45 -0.32 1.25 0.00 -0.79 0.03 119.26 121.04 1nbu h ALA 58 Ca 0.14 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1nbu h ALA 58 Cb 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1nbu h ALA 58 CO -0.32 0.24 -0.11 0.66 0.00 0.00 0.00 179.25 179.72 1nbu h SER 59 N 0.40 0.65 -0.40 0.00 4.64 -1.20 -0.58 113.55 117.05 1nbu h SER 59 Ca 0.09 -0.38 -0.03 0.00 -0.47 0.00 0.00 61.79 61.00 1nbu h SER 59 Cb 0.50 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1nbu h SER 59 CO 0.02 0.88 0.14 0.03 -0.87 0.00 0.00 176.83 177.04 1nbu h ARG 60 N 0.41 0.62 -0.87 4.77 2.47 -0.79 -0.20 114.38 120.78 1nbu h ARG 60 Ca 0.08 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 1nbu h ARG 60 Cb 0.61 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.80 1nbu h ARG 60 CO 0.04 0.60 0.48 0.00 0.56 0.00 0.00 179.97 181.65 1nbu h ALA 61 N 0.99 1.22 -0.86 0.04 0.00 -0.91 -1.92 119.26 117.82 1nbu h ALA 61 Ca 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1nbu h ALA 61 Cb 0.23 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1nbu h ALA 61 CO -0.01 0.64 0.42 0.00 0.00 0.00 0.00 179.25 180.30 1nbu h ALA 62 N 1.32 1.12 -0.52 0.00 0.00 -0.69 -2.47 119.26 118.02 1nbu h ALA 62 Ca 0.31 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1nbu h ALA 62 Cb 0.01 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.42 1nbu h ALA 62 CO -0.05 0.67 0.26 0.93 0.00 0.00 0.00 179.25 181.06 1nbu h GLU 63 N 1.22 0.49 -0.40 0.00 5.08 -0.68 -1.19 114.58 119.12 1nbu h GLU 63 Ca 0.30 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1nbu h GLU 63 Cb 0.10 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1nbu h GLU 63 CO -0.04 0.33 0.10 0.82 -1.00 0.00 0.00 179.01 179.22 1nbu h ILE 64 N 0.51 1.22 -0.32 3.13 2.04 -1.10 -2.36 117.51 120.63 1nbu h ILE 64 Ca 0.23 -0.76 -0.08 0.00 1.00 0.00 0.00 64.86 65.25 1nbu h ILE 64 Cb 0.15 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1nbu h ILE 64 CO -0.16 0.26 -0.15 0.58 0.00 0.00 0.00 178.15 178.68 1nbu h VAL 65 N 0.50 1.25 -0.00 1.67 2.07 -1.20 -2.52 116.25 118.00 1nbu h VAL 65 Ca 0.13 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1nbu h VAL 65 Cb 0.30 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1nbu h VAL 65 CO -0.00 0.37 -0.07 0.00 0.02 0.00 0.00 177.57 177.89 1nbu n ALA 66 N -2.48 2.54 -1.10 1.67 0.00 -0.47 -4.49 120.51 116.18 1nbu n ALA 66 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1nbu n ALA 66 Cb 0.35 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 1.42 -0.88 3.63 0.00 0.00 -0.90 -4.92 105.19 103.55 1nbu n GLY 67 Ca 0.09 -1.69 -0.47 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.80 1.63 -1.97 1.61 -0.02 -1.26 -4.76 135.00 129.43 1nbu n PRO 68 Ca 0.00 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.65 1nbu n PRO 68 Cb 0.00 -2.19 -0.01 0.00 -0.02 0.00 0.00 33.50 31.28 1nbu n PRO 68 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1nbu s PRO 69 N -0.15 4.24 0.31 0.52 0.04 -1.26 -4.99 135.00 133.70 1nbu s PRO 69 Ca 0.73 2.38 0.07 0.00 0.04 0.00 0.00 61.00 64.22 1nbu s PRO 69 Cb -0.76 -3.02 -0.02 0.00 0.04 0.00 0.00 34.50 30.74 1nbu s PRO 69 CO 0.49 -0.35 0.37 1.03 0.04 0.00 0.00 177.00 178.58 1nbu s ARG 70 N -1.93 3.04 0.03 4.56 1.81 -1.26 -4.96 118.95 120.24 1nbu s ARG 70 Ca 0.51 -1.06 -0.18 0.00 -1.72 0.00 0.00 55.73 53.28 1nbu s ARG 70 Cb -0.43 -2.70 -0.20 0.00 -0.45 0.00 0.00 34.95 31.17 1nbu s ARG 70 CO 0.58 0.17 1.18 0.87 -0.68 0.00 0.00 175.30 177.43 1nbu h LYS 71 N 1.11 0.50 -6.22 3.54 1.57 -1.95 0.09 116.57 115.21 1nbu h LYS 71 Ca -0.47 -0.45 -0.66 0.00 -1.87 0.00 0.00 60.65 57.20 1nbu h LYS 71 Cb 1.25 0.11 -0.13 0.00 0.08 0.00 0.00 32.23 33.54 1nbu h LYS 71 CO 0.57 1.09 -0.65 -0.51 -0.57 0.00 0.00 179.45 179.37 1nbu s LEU 72 N -8.47 3.50 0.45 2.94 1.43 -1.26 -2.28 118.68 114.98 1nbu s LEU 72 Ca -0.13 -0.06 0.25 0.00 -1.03 0.00 0.00 54.13 53.16 1nbu s LEU 72 Cb 0.05 -2.08 1.00 0.00 0.03 0.00 0.00 46.19 45.19 1nbu s LEU 72 CO 0.83 0.25 1.86 0.16 0.23 0.00 0.00 176.35 179.68 1nbu h ILE 73 N 3.31 0.53 -0.80 -0.59 3.07 -1.96 -2.46 117.51 118.60 1nbu h ILE 73 Ca -0.48 -1.03 0.16 0.00 1.55 0.00 0.00 64.86 65.05 1nbu h ILE 73 Cb 1.17 1.71 -0.10 0.00 -0.27 0.00 0.00 36.82 39.33 1nbu h ILE 73 CO 0.58 0.20 0.34 -0.33 -1.05 0.00 0.00 178.15 177.89 1nbu h GLU 74 N 0.00 0.45 -0.05 0.16 3.07 -1.94 -1.12 114.58 115.15 1nbu h GLU 74 Ca -0.00 -0.03 -0.16 0.00 -0.50 0.00 0.00 59.36 58.67 1nbu h GLU 74 Cb 0.69 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 1nbu h GLU 74 CO 0.03 0.30 -0.67 1.15 -1.40 0.00 0.00 179.01 178.42 1nbu h THR 75 N 0.47 1.41 -0.26 1.13 2.02 -1.86 -1.83 112.91 113.98 1nbu h THR 75 Ca 0.45 -2.14 -0.05 0.00 0.77 0.00 0.00 66.41 65.45 1nbu h THR 75 Cb 0.72 2.12 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 1nbu h THR 75 CO -0.42 0.63 -0.01 0.58 0.37 0.00 0.00 175.52 176.66 1nbu h VAL 76 N 0.16 1.26 -0.31 3.16 2.07 -1.40 -2.33 116.25 118.87 1nbu h VAL 76 Ca -0.02 -0.95 -0.08 0.00 0.82 0.00 0.00 66.70 66.47 1nbu h VAL 76 Cb 1.20 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1nbu h VAL 76 CO 0.10 0.30 -0.16 1.23 0.02 0.00 0.00 177.57 179.07 1nbu h GLY 77 N 0.24 0.59 1.78 2.17 0.00 -1.08 -2.12 103.07 104.66 1nbu h GLY 77 Ca 0.07 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 1nbu h GLY 77 CO 0.02 0.40 -0.50 0.00 0.00 0.00 0.00 176.54 176.46 1nbu h ALA 78 N 1.34 0.99 -0.34 3.60 0.00 -1.32 0.11 119.26 123.63 1nbu h ALA 78 Ca 0.09 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 1nbu h ALA 78 Cb 0.56 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1nbu h ALA 78 CO 0.04 0.65 -0.24 1.49 0.00 0.00 0.00 179.25 181.19 1nbu h GLU 79 N 0.19 0.77 -0.82 0.00 4.81 -0.83 -0.77 114.58 117.92 1nbu h GLU 79 Ca 0.01 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 58.85 1nbu h GLU 79 Cb 0.95 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.29 1nbu h GLU 79 CO 0.08 0.99 0.45 0.82 -0.73 0.00 0.00 179.01 180.62 1nbu h ILE 80 N 0.55 1.24 -0.39 2.32 2.04 -1.28 -1.82 117.51 120.17 1nbu h ILE 80 Ca 0.07 -0.60 -0.14 0.00 1.00 0.00 0.00 64.86 65.19 1nbu h ILE 80 Cb 0.80 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1nbu h ILE 80 CO 0.07 0.27 -0.30 0.00 0.00 0.00 0.00 178.15 178.18 1nbu h ALA 81 N 1.24 0.72 -0.08 1.87 0.00 -0.65 -2.32 119.26 120.04 1nbu h ALA 81 Ca 0.29 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1nbu h ALA 81 Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1nbu h ALA 81 CO -0.05 0.66 -0.40 -0.44 0.00 0.00 0.00 179.25 179.03 1nbu h ASP 82 N 0.73 0.18 -0.22 0.00 3.32 -0.98 -0.92 116.42 118.52 1nbu h ASP 82 Ca 0.08 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1nbu h ASP 82 Cb 0.86 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 1nbu h ASP 82 CO 0.08 0.56 0.10 -0.74 -1.72 0.00 0.00 179.24 177.52 1nbu h HIS 83 N 0.15 0.32 -0.79 4.55 -0.00 -1.10 -2.42 115.15 115.86 1nbu h HIS 83 Ca 0.01 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.32 1nbu h HIS 83 Cb 0.77 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 28.05 1nbu h HIS 83 CO 0.01 0.34 0.32 0.28 -0.00 0.00 0.00 177.93 178.88 1nbu h VAL 84 N 0.22 1.26 0.00 5.26 2.07 -1.06 -1.31 116.25 122.69 1nbu h VAL 84 Ca 0.07 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1nbu h VAL 84 Cb 0.14 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1nbu h VAL 84 CO -0.01 0.33 0.00 0.23 0.02 0.00 0.00 177.57 178.14 1nbu n MET 85 N -4.28 0.03 0.17 1.57 2.00 -0.38 -1.57 117.12 114.66 1nbu n MET 85 Ca 0.07 0.26 0.13 0.00 0.00 0.00 0.00 57.70 58.16 1nbu n MET 85 Cb 0.18 -1.50 0.57 0.00 0.00 0.00 0.00 33.22 32.47 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 -0.74 -3.38 116.42 120.01 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 0.21 0.00 -0.09 0.00 -0.56 0.00 0.00 39.33 38.89 1nbu h ASP 86 CO 0.00 0.00 0.66 -0.62 -1.57 0.00 0.00 179.24 177.71 1nbu s ASP 87 N -4.59 6.63 0.32 6.45 -1.08 -0.61 -4.88 116.67 118.91 1nbu s ASP 87 Ca 0.03 0.45 0.21 0.00 -0.52 0.00 0.00 52.55 52.72 1nbu s ASP 87 Cb 0.09 -2.48 1.16 0.00 -1.46 0.00 0.00 42.92 40.23 1nbu s ASP 87 CO 0.41 -0.98 1.65 0.00 0.52 0.00 0.00 175.17 176.78 1nbu n GLN 88 N 7.06 0.14 0.24 4.34 1.13 -1.26 -1.57 117.38 127.45 1nbu n GLN 88 Ca 0.08 0.64 0.14 0.00 -1.94 0.00 0.00 57.00 55.91 1nbu n GLN 88 Cb 0.48 -1.97 0.34 0.00 0.11 0.00 0.00 30.24 29.21 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 -6.41 -1.09 3.08 -1.91 -3.45 114.38 104.61 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 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1nbu h ARG 89 CO 0.00 0.00 0.51 0.08 -1.07 0.00 0.00 179.97 179.49 1nbu s VAL 90 N -3.36 4.47 0.01 2.04 1.01 -0.61 -4.43 120.40 119.53 1nbu s VAL 90 Ca 0.05 1.77 -0.11 0.00 0.00 0.00 0.00 61.98 63.69 1nbu s VAL 90 Cb 0.06 -4.13 -0.32 0.00 0.00 0.00 0.00 36.38 31.99 1nbu s VAL 90 CO 0.63 0.10 0.91 0.45 0.00 0.00 0.00 175.10 177.19 1nbu h HIS 91 N 6.93 0.78 -1.91 5.22 3.86 -0.79 -3.45 115.15 125.79 1nbu h HIS 91 Ca -0.39 -0.57 0.24 0.00 -1.16 0.00 0.00 60.37 58.50 1nbu h HIS 91 Cb 1.20 -0.03 -0.10 0.00 1.06 0.00 0.00 27.41 29.54 1nbu h HIS 91 CO 0.69 1.53 0.65 0.00 0.86 0.00 0.00 177.93 181.66 1nbu s ALA 92 N -2.60 -1.93 0.03 2.45 0.00 -1.17 -2.24 121.76 116.29 1nbu s ALA 92 Ca -0.10 0.47 -0.13 0.00 0.00 0.00 0.00 51.96 52.20 1nbu s ALA 92 Cb 0.05 0.48 0.02 0.00 0.00 0.00 0.00 23.12 23.67 1nbu s ALA 92 CO 0.90 -1.02 0.27 0.54 0.00 0.00 0.00 175.76 176.45 1nbu s VAL 93 N -2.87 0.08 -0.06 0.00 0.11 -0.65 -0.85 120.40 116.16 1nbu s VAL 93 Ca 0.13 -0.69 0.02 0.00 -2.93 0.00 0.00 61.98 58.51 1nbu s VAL 93 Cb 0.01 -0.83 0.02 0.00 -1.53 0.00 0.00 36.38 34.05 1nbu s VAL 93 CO -0.01 -0.38 -0.09 -1.61 -3.33 0.00 0.00 175.10 169.68 1nbu s GLU 94 N -2.21 1.32 -0.20 1.54 2.02 -0.26 -1.78 118.70 119.14 1nbu s GLU 94 Ca -0.08 -0.27 -0.01 0.00 0.02 0.00 0.00 54.97 54.64 1nbu s GLU 94 Cb -0.02 -1.18 0.01 0.00 0.10 0.00 0.00 34.13 33.04 1nbu s GLU 94 CO -0.01 -0.04 -0.14 0.08 0.02 0.00 0.00 175.26 175.17 1nbu s VAL 95 N 0.84 2.52 -0.27 2.63 1.01 -0.02 -0.81 120.40 126.29 1nbu s VAL 95 Ca -0.12 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 60.88 1nbu s VAL 95 Cb -0.15 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 1nbu s VAL 95 CO 0.02 0.44 0.22 0.00 0.00 0.00 0.00 175.10 175.77 1nbu s ALA 96 N 1.34 3.54 -0.35 5.51 0.00 -0.13 -1.00 121.76 130.68 1nbu s ALA 96 Ca 0.04 -1.02 -0.09 0.00 0.00 0.00 0.00 51.96 50.89 1nbu s ALA 96 Cb -0.14 -2.50 0.03 0.00 0.00 0.00 0.00 23.12 20.51 1nbu s ALA 96 CO -0.09 -0.53 0.15 0.08 0.00 0.00 0.00 175.76 175.37 1nbu s VAL 97 N 1.73 4.18 -0.12 0.00 1.01 -0.15 -1.34 120.40 125.72 1nbu s VAL 97 Ca 0.08 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 1nbu s VAL 97 Cb -0.16 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1nbu s VAL 97 CO 0.10 -0.17 0.17 -1.00 0.00 0.00 0.00 175.10 174.21 1nbu s HIS 98 N 1.49 3.59 -0.64 5.22 3.76 0.54 -1.60 115.29 127.65 1nbu s HIS 98 Ca 0.01 0.56 0.06 0.00 -0.15 0.00 0.00 55.06 55.54 1nbu s HIS 98 Cb -0.19 -2.02 0.24 0.00 1.11 0.00 0.00 32.58 31.72 1nbu s HIS 98 CO 0.05 0.66 0.72 1.17 -0.85 0.00 0.00 174.74 176.48 1nbu n LYS 99 N 2.19 2.40 0.22 1.40 4.81 -0.11 -1.61 118.16 127.46 1nbu n LYS 99 Ca -0.19 -4.61 0.15 0.00 -0.87 0.00 0.00 58.31 52.80 1nbu n LYS 99 Cb 0.54 -2.23 0.67 0.00 0.02 0.00 0.00 35.03 34.04 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 4.30 0.00 -0.64 1.64 0.13 -1.78 -1.88 132.00 133.77 1nbu h PRO 100 Ca 0.19 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 65.06 1nbu h PRO 100 Cb 0.68 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.65 1nbu h PRO 100 CO 0.81 0.00 0.25 1.04 -0.23 0.00 0.00 178.00 179.87 1nbu n GLN 101 N -2.70 2.68 -1.69 0.86 6.02 -1.26 -4.83 117.38 116.45 1nbu n GLN 101 Ca 0.00 -3.07 -0.44 0.00 -0.01 0.00 0.00 57.00 53.49 1nbu n GLN 101 Cb 0.22 -2.05 -0.02 0.00 1.02 0.00 0.00 30.24 29.41 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 -0.75 1.49 -1.46 -1.58 0.00 -0.71 -4.80 120.51 112.71 1nbu n ALA 102 Ca 0.42 0.39 -0.40 0.00 0.00 0.00 0.00 53.44 53.85 1nbu n ALA 102 Cb 1.31 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 1nbu n ALA 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1nbu n PRO 103 N 1.77 3.67 -4.25 0.00 -0.04 -1.26 -4.89 135.00 130.00 1nbu n PRO 103 Ca 0.09 -2.40 -0.30 0.00 -0.04 0.00 0.00 63.50 60.85 1nbu n PRO 103 Cb 0.34 -2.86 -0.10 0.00 -0.04 0.00 0.00 33.50 30.84 1nbu n PRO 103 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1nbu s ILE 104 N 1.97 3.22 -0.05 0.52 -4.36 -1.26 -5.04 121.20 116.19 1nbu s ILE 104 Ca 0.65 -1.35 0.31 0.00 -0.26 0.00 0.00 60.65 60.00 1nbu s ILE 104 Cb 0.17 -2.50 0.38 0.00 1.25 0.00 0.00 42.46 41.76 1nbu s ILE 104 CO -0.07 0.10 1.89 1.55 0.24 0.00 0.00 174.94 178.66 1nbu h PRO 105 N 3.63 0.00 -7.34 0.37 0.13 -2.04 -3.45 132.00 123.30 1nbu h PRO 105 Ca -0.49 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.15 1nbu h PRO 105 Cb 1.17 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.44 1nbu h PRO 105 CO 0.50 0.00 0.27 -0.65 -0.23 0.00 0.00 178.00 177.89 1nbu s GLN 106 N -3.55 1.48 -0.29 0.86 1.11 -1.26 -5.02 119.66 112.99 1nbu s GLN 106 Ca 0.03 0.84 -0.17 0.00 0.01 0.00 0.00 55.36 56.06 1nbu s GLN 106 Cb 0.08 -1.83 -0.02 0.00 -1.01 0.00 0.00 33.01 30.22 1nbu s GLN 106 CO 0.57 -2.09 0.48 0.99 0.01 0.00 0.00 175.29 175.24 1nbu s THR 107 N -2.96 5.08 0.06 -0.19 2.01 -1.26 -5.07 115.64 113.32 1nbu s THR 107 Ca 0.63 0.66 -0.12 0.00 0.31 0.00 0.00 61.69 63.17 1nbu s THR 107 Cb -0.17 -3.83 0.01 0.00 0.01 0.00 0.00 72.50 68.53 1nbu s THR 107 CO 0.56 0.03 0.27 0.72 -0.69 0.00 0.00 174.62 175.52 1nbu s PHE 108 N 2.26 -0.03 -0.06 4.92 -0.12 -1.26 -5.07 117.98 118.62 1nbu s PHE 108 Ca 0.19 -0.21 -0.23 0.00 -0.05 0.00 0.00 56.93 56.63 1nbu s PHE 108 Cb -0.16 0.06 -0.29 0.00 -0.63 0.00 0.00 43.02 42.00 1nbu s PHE 108 CO 0.10 -0.53 0.90 -0.44 -0.05 0.00 0.00 175.22 175.20 1nbu h ASP 109 N 3.03 0.36 -5.01 1.98 3.32 -1.97 -3.49 116.42 114.64 1nbu h ASP 109 Ca -0.33 -0.94 -0.05 0.00 0.02 0.00 0.00 57.03 55.73 1nbu h ASP 109 Cb 1.21 -0.12 -0.16 0.00 0.22 0.00 0.00 39.33 40.48 1nbu h ASP 109 CO 0.49 1.27 0.08 -0.62 -1.72 0.00 0.00 179.24 178.74 1nbu s ASP 110 N -6.76 -0.49 -0.00 6.45 -1.08 -1.26 -4.82 116.67 108.71 1nbu s ASP 110 Ca -0.15 0.23 0.01 0.00 -0.52 0.00 0.00 52.55 52.12 1nbu s ASP 110 Cb 0.00 0.51 -0.00 0.00 -1.46 0.00 0.00 42.92 41.97 1nbu s ASP 110 CO 0.80 -0.74 -0.02 0.54 0.52 0.00 0.00 175.17 176.27 1nbu s VAL 111 N -2.45 0.17 0.13 1.11 0.11 -1.26 -5.04 120.40 113.16 1nbu s VAL 111 Ca -0.05 -0.13 -0.15 0.00 -2.93 0.00 0.00 61.98 58.72 1nbu s VAL 111 Cb -0.01 -0.15 0.03 0.00 -1.53 0.00 0.00 36.38 34.72 1nbu s VAL 111 CO -0.02 0.02 0.37 0.00 -3.33 0.00 0.00 175.10 172.15 1nbu s ALA 112 N -0.11 -0.79 0.08 1.54 0.00 -1.26 -0.93 121.76 120.28 1nbu s ALA 112 Ca 0.00 -0.18 0.10 0.00 0.00 0.00 0.00 51.96 51.88 1nbu s ALA 112 Cb -0.01 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 1nbu s ALA 112 CO -0.00 -0.64 -0.26 0.14 0.00 0.00 0.00 175.76 175.00 1nbu s VAL 113 N -3.82 2.14 -0.23 0.00 -7.23 -0.63 -4.97 120.40 105.67 1nbu s VAL 113 Ca 0.04 -1.52 0.01 0.00 -1.81 0.00 0.00 61.98 58.71 1nbu s VAL 113 Cb 0.02 -1.86 0.04 0.00 0.56 0.00 0.00 36.38 35.14 1nbu s VAL 113 CO -0.11 0.24 -0.14 -0.69 -0.31 0.00 0.00 175.10 174.10 1nbu s VAL 114 N -0.91 2.25 -0.22 1.32 1.01 -1.26 -0.98 120.40 121.62 1nbu s VAL 114 Ca 0.12 -1.25 -0.13 0.00 0.00 0.00 0.00 61.98 60.73 1nbu s VAL 114 Cb -0.10 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1nbu s VAL 114 CO 0.04 0.24 0.26 -0.63 0.00 0.00 0.00 175.10 175.01 1nbu s ILE 115 N 1.22 5.29 -0.03 2.22 -1.09 -0.17 -4.93 121.20 123.71 1nbu s ILE 115 Ca -0.02 0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.81 1nbu s ILE 115 Cb -0.17 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.08 1nbu s ILE 115 CO -0.08 0.31 -0.00 -0.60 -1.23 0.00 0.00 174.94 173.34 1nbu s ARG 116 N 1.12 2.85 0.03 2.79 3.52 -1.26 -0.84 118.95 127.16 1nbu s ARG 116 Ca 0.13 -0.54 -0.01 0.00 -0.13 0.00 0.00 55.73 55.18 1nbu s ARG 116 Cb -0.14 -2.71 -0.03 0.00 -1.56 0.00 0.00 34.95 30.52 1nbu s ARG 116 CO 0.06 0.65 -0.02 1.03 -0.81 0.00 0.00 175.30 176.21 1nbu s ARG 117 N -1.30 0.44 0.20 5.12 1.81 -0.73 -5.02 118.95 119.47 1nbu s ARG 117 Ca 0.17 -0.84 -0.23 0.00 -1.72 0.00 0.00 55.73 53.11 1nbu s ARG 117 Cb -0.11 0.16 0.05 0.00 -0.45 0.00 0.00 34.95 34.59 1nbu s ARG 117 CO 0.07 -0.08 0.77 -1.54 -0.68 0.00 0.00 175.30 173.84 1nbu s SER 118 N -2.04 -0.31 0.00 0.23 1.04 -1.26 -1.64 113.70 109.71 1nbu s SER 118 Ca -0.07 -0.39 0.30 0.00 0.48 0.00 0.00 55.95 56.28 1nbu s SER 118 Cb -0.03 0.61 1.51 0.00 0.10 0.00 0.00 66.02 68.22 1nbu s SER 118 CO -0.05 -1.10 2.00 0.54 0.98 0.00 0.00 173.24 175.62