#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pks n GLY 5 N 0.00 3.42 3.53 0.62 0.00 -1.26 -4.45 105.19 107.05 1pks n GLY 5 Ca 0.00 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 1pks n GLY 5 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pks s TYR 6 N -2.00 3.07 -0.19 1.61 2.02 0.86 -4.53 117.35 118.19 1pks s TYR 6 Ca 0.00 0.07 -0.13 0.00 -0.37 0.00 0.00 57.07 56.65 1pks s TYR 6 Cb 0.00 -3.35 -0.05 0.00 -0.40 0.00 0.00 41.96 38.17 1pks s TYR 6 CO 0.00 -0.83 0.25 -0.65 -1.57 0.00 0.00 175.55 172.75 1pks s GLN 7 N 2.87 4.20 0.53 -0.62 -0.21 -0.94 -2.28 119.66 123.20 1pks s GLN 7 Ca 0.24 -0.02 0.02 0.00 0.02 0.00 0.00 55.36 55.62 1pks s GLN 7 Cb -0.14 -3.46 0.01 0.00 1.00 0.00 0.00 33.01 30.42 1pks s GLN 7 CO 0.19 0.18 0.14 0.71 -2.12 0.00 0.00 175.29 174.39 1pks s TYR 8 N 0.67 1.72 0.02 0.91 2.02 -0.51 -2.59 117.35 119.59 1pks s TYR 8 Ca 0.13 -0.94 0.06 0.00 -0.37 0.00 0.00 57.07 55.95 1pks s TYR 8 Cb -0.13 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 1pks s TYR 8 CO 0.03 -0.03 -0.16 0.50 -1.57 0.00 0.00 175.55 174.32 1pks s ARG 9 N -4.03 2.22 -0.42 -0.62 3.52 -1.03 -1.80 118.95 116.79 1pks s ARG 9 Ca 0.13 -0.89 -0.28 0.00 -0.13 0.00 0.00 55.73 54.56 1pks s ARG 9 Cb -0.00 -2.26 -0.01 0.00 -1.56 0.00 0.00 34.95 31.11 1pks s ARG 9 CO 0.08 0.56 1.68 0.00 -0.81 0.00 0.00 175.30 176.82 1pks s ALA 10 N -0.90 2.78 0.00 6.12 0.00 -0.61 -0.98 121.76 128.17 1pks s ALA 10 Ca 0.14 -0.08 0.11 0.00 0.00 0.00 0.00 51.96 52.13 1pks s ALA 10 Cb -0.11 -4.06 -0.16 0.00 0.00 0.00 0.00 23.12 18.80 1pks s ALA 10 CO 0.05 -2.83 1.11 -0.07 0.00 0.00 0.00 175.76 174.03 1pks h LEU 11 N 13.77 0.00 -9.16 0.00 3.38 -1.27 -2.67 115.31 119.36 1pks h LEU 11 Ca -0.30 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.21 1pks h LEU 11 Cb 1.15 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.76 1pks h LEU 11 CO 1.09 0.86 -0.58 -0.31 0.09 0.00 0.00 178.44 179.59 1pks s TYR 12 N -2.75 1.76 -0.16 1.13 1.51 -1.06 -4.72 117.35 113.05 1pks s TYR 12 Ca -0.00 -1.16 -0.04 0.00 -1.01 0.00 0.00 57.07 54.86 1pks s TYR 12 Cb 0.09 -1.09 -0.03 0.00 -0.11 0.00 0.00 41.96 40.82 1pks s TYR 12 CO 0.81 -0.24 -0.03 0.16 -1.11 0.00 0.00 175.55 175.14 1pks s ASP 13 N -3.46 4.82 0.15 2.29 -4.77 -1.26 -3.43 116.67 111.01 1pks s ASP 13 Ca 0.33 -0.14 0.10 0.00 -3.30 0.00 0.00 52.55 49.55 1pks s ASP 13 Cb 0.06 -1.80 -0.04 0.00 -1.09 0.00 0.00 42.92 40.06 1pks s ASP 13 CO 0.15 0.15 -0.21 -0.47 0.70 0.00 0.00 175.17 175.49 1pks s TYR 14 N 0.49 2.42 -0.20 2.11 5.04 0.10 -4.90 117.35 122.41 1pks s TYR 14 Ca -0.03 -0.32 -0.07 0.00 -2.44 0.00 0.00 57.07 54.21 1pks s TYR 14 Cb -0.14 -1.26 -0.04 0.00 0.35 0.00 0.00 41.96 40.87 1pks s TYR 14 CO 0.03 0.42 0.06 0.15 -1.34 0.00 0.00 175.55 174.86 1pks s LYS 15 N -2.34 3.90 -0.84 4.97 1.02 -1.26 -1.40 119.74 123.79 1pks s LYS 15 Ca 0.18 -0.38 -0.21 0.00 0.02 0.00 0.00 55.97 55.59 1pks s LYS 15 Cb -0.09 -3.23 -0.19 0.00 -0.52 0.00 0.00 37.83 33.79 1pks s LYS 15 CO 0.09 0.17 2.26 1.17 -0.92 0.00 0.00 175.35 178.13 1pks n LYS 16 N 3.83 0.35 0.00 1.68 4.81 -1.16 -4.70 118.16 122.97 1pks n LYS 16 Ca -0.16 -0.70 0.00 0.00 -0.87 0.00 0.00 58.31 56.58 1pks n LYS 16 Cb 0.52 -2.95 0.00 0.00 0.02 0.00 0.00 35.03 32.62 1pks n LYS 16 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1pks n GLU 17 N 7.74 0.00 -1.89 1.64 2.13 -1.26 -4.91 120.64 124.09 1pks n GLU 17 Ca 0.50 0.09 -0.38 0.00 0.66 0.00 0.00 57.16 58.02 1pks n GLU 17 Cb 0.37 -0.43 0.03 0.00 0.27 0.00 0.00 31.44 31.67 1pks n GLU 17 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1pks s ARG 18 N -0.36 3.38 0.00 5.31 0.52 -1.26 -4.83 118.95 121.71 1pks s ARG 18 Ca 0.00 2.17 0.02 0.00 -0.52 0.00 0.00 55.73 57.40 1pks s ARG 18 Cb 0.00 -2.37 0.10 0.00 0.52 0.00 0.00 34.95 33.19 1pks s ARG 18 CO 0.00 -0.97 1.07 -1.91 0.02 0.00 0.00 175.30 173.50 1pks n GLU 19 N -0.74 0.00 -0.05 3.54 2.13 -1.26 -1.61 120.64 122.65 1pks n GLU 19 Ca 0.09 0.46 -0.10 0.00 0.66 0.00 0.00 57.16 58.27 1pks n GLU 19 Cb 0.45 -1.50 -0.15 0.00 0.27 0.00 0.00 31.44 30.51 1pks n GLU 19 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1pks n GLU 20 N -1.49 0.66 -1.94 5.31 2.13 -1.26 -4.94 120.64 119.10 1pks n GLU 20 Ca 0.01 0.19 -0.29 0.00 0.66 0.00 0.00 57.16 57.73 1pks n GLU 20 Cb 0.03 -1.69 0.08 0.00 0.27 0.00 0.00 31.44 30.12 1pks n GLU 20 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 1pks s ASP 21 N -5.92 4.79 0.00 4.31 1.47 -0.63 -1.78 116.67 118.90 1pks s ASP 21 Ca -0.08 0.83 0.00 0.00 1.18 0.00 0.00 52.55 54.48 1pks s ASP 21 Cb 0.07 -1.42 -0.00 0.00 -0.34 0.00 0.00 42.92 41.23 1pks s ASP 21 CO 0.82 -1.72 0.00 2.30 0.68 0.00 0.00 175.17 177.25 1pks n ILE 22 N -3.19 0.00 -3.45 2.11 -5.35 -0.72 -4.71 119.36 104.06 1pks n ILE 22 Ca 0.08 -0.01 -0.39 0.00 -0.27 0.00 0.00 62.75 62.16 1pks n ILE 22 Cb 0.60 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.41 1pks n ILE 22 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1pks s ASP 23 N -1.01 6.22 0.09 7.28 1.11 -1.26 -3.01 116.67 126.08 1pks s ASP 23 Ca 0.00 0.24 0.06 0.00 0.18 0.00 0.00 52.55 53.03 1pks s ASP 23 Cb 0.00 -2.19 -0.04 0.00 1.07 0.00 0.00 42.92 41.76 1pks s ASP 23 CO 0.00 -0.13 -0.05 -0.76 1.18 0.00 0.00 175.17 175.42 1pks s LEU 24 N 1.85 3.28 -0.18 1.23 2.01 -0.50 -4.91 118.68 121.46 1pks s LEU 24 Ca 0.13 -0.26 -0.13 0.00 0.01 0.00 0.00 54.13 53.89 1pks s LEU 24 Cb -0.16 -2.03 0.05 0.00 0.01 0.00 0.00 46.19 44.07 1pks s LEU 24 CO 0.09 0.18 0.45 -1.00 1.01 0.00 0.00 176.35 177.09 1pks s HIS 25 N -1.25 -0.59 -0.02 0.29 3.76 -1.25 -0.72 115.29 115.51 1pks s HIS 25 Ca 0.23 1.32 -0.38 0.00 -0.15 0.00 0.00 55.06 56.08 1pks s HIS 25 Cb -0.11 0.25 -0.17 0.00 1.11 0.00 0.00 32.58 33.65 1pks s HIS 25 CO 0.16 -0.31 1.36 -0.11 -0.85 0.00 0.00 174.74 174.98 1pks n LEU 26 N 3.64 1.37 0.00 0.89 7.94 -1.22 -0.76 117.00 128.86 1pks n LEU 26 Ca -0.19 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.84 1pks n LEU 26 Cb 0.56 -1.11 0.00 0.00 0.53 0.00 0.00 43.42 43.40 1pks n LEU 26 CO 0.09 -1.13 0.00 0.61 -1.11 0.00 0.00 177.39 175.85 1pks n GLY 27 N 2.63 0.81 3.93 -3.96 0.00 -1.01 -4.98 105.19 102.61 1pks n GLY 27 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 1pks n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pks s ASP 28 N -2.37 5.88 -0.15 1.61 -1.08 0.06 -4.86 116.67 115.76 1pks s ASP 28 Ca 0.00 0.54 0.01 0.00 -0.52 0.00 0.00 52.55 52.59 1pks s ASP 28 Cb 0.00 -1.76 0.00 0.00 -1.46 0.00 0.00 42.92 39.71 1pks s ASP 28 CO 0.00 -0.75 -0.18 -0.63 0.52 0.00 0.00 175.17 174.13 1pks s ILE 29 N -2.70 2.38 -0.29 4.11 -1.09 -1.26 -1.57 121.20 120.78 1pks s ILE 29 Ca 0.49 -0.86 -0.06 0.00 -2.23 0.00 0.00 60.65 57.98 1pks s ILE 29 Cb -0.10 -1.99 0.01 0.00 -1.58 0.00 0.00 42.46 38.80 1pks s ILE 29 CO 0.41 0.53 0.07 -0.76 -1.23 0.00 0.00 174.94 173.96 1pks s LEU 30 N 0.88 3.79 -0.83 2.97 1.02 -0.75 -2.77 118.68 122.98 1pks s LEU 30 Ca -0.05 -0.73 -0.17 0.00 0.02 0.00 0.00 54.13 53.20 1pks s LEU 30 Cb -0.15 -1.86 0.16 0.00 0.02 0.00 0.00 46.19 44.36 1pks s LEU 30 CO -0.02 -0.19 0.92 -0.89 0.02 0.00 0.00 176.35 176.19 1pks s THR 31 N 1.48 5.07 -0.37 5.49 2.01 -0.89 -1.42 115.64 127.00 1pks s THR 31 Ca 0.02 -1.80 -0.14 0.00 0.31 0.00 0.00 61.69 60.08 1pks s THR 31 Cb -0.17 -4.61 0.00 0.00 0.01 0.00 0.00 72.50 67.73 1pks s THR 31 CO 0.02 -1.26 0.27 -0.69 -0.69 0.00 0.00 174.62 172.26 1pks s VAL 32 N 1.76 5.25 1.10 3.82 1.01 -0.97 -1.72 120.40 130.65 1pks s VAL 32 Ca 0.23 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 1pks s VAL 32 Cb -0.10 -3.81 0.19 0.00 0.00 0.00 0.00 36.38 32.66 1pks s VAL 32 CO -0.06 -0.15 0.33 0.59 0.00 0.00 0.00 175.10 175.81 1pks n ASN 33 N 5.13 -3.02 -0.01 3.32 3.02 -1.26 -0.10 115.26 122.33 1pks n ASN 33 Ca -0.12 -0.40 -0.16 0.00 -0.03 0.00 0.00 54.58 53.87 1pks n ASN 33 Cb 0.48 -0.84 -0.14 0.00 -0.61 0.00 0.00 39.78 38.67 1pks n ASN 33 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1pks n LYS 34 N -2.43 0.70 -0.03 3.52 2.85 -1.26 -3.91 118.16 117.61 1pks n LYS 34 Ca 0.06 0.27 -0.11 0.00 -1.05 0.00 0.00 58.31 57.48 1pks n LYS 34 Cb 0.45 -1.73 -0.09 0.00 -0.65 0.00 0.00 35.03 33.00 1pks n LYS 34 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1pks h GLY 35 N 2.17 -0.05 0.72 2.58 0.00 -1.95 -1.97 103.07 104.56 1pks h GLY 35 Ca -0.38 0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.04 1pks h GLY 35 CO 0.08 -0.02 0.57 0.23 0.00 0.00 0.00 176.54 177.40 1pks h SER 36 N -0.91 0.00 0.10 0.19 0.87 -1.95 0.53 113.55 112.37 1pks h SER 36 Ca -0.01 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.22 1pks h SER 36 Cb 0.67 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 1pks h SER 36 CO 0.01 0.00 -1.82 0.25 -0.53 0.00 0.00 176.83 174.74 1pks h LEU 37 N 0.00 0.34 -0.14 2.23 5.85 -1.66 -3.33 115.31 118.59 1pks h LEU 37 Ca 0.11 -0.86 0.00 0.00 0.84 0.00 0.00 57.88 57.97 1pks h LEU 37 Cb 1.25 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1pks h LEU 37 CO -0.00 1.78 0.00 0.52 -0.34 0.00 0.00 178.44 180.40 1pks n VAL 38 N -3.71 0.02 0.20 1.05 0.31 0.59 -3.61 118.33 113.18 1pks n VAL 38 Ca -0.32 -0.04 0.03 0.00 -0.01 0.00 0.00 64.34 64.00 1pks n VAL 38 Cb 0.97 -0.27 0.12 0.00 -0.91 0.00 0.00 33.84 33.74 1pks n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pks n ALA 39 N -0.73 1.28 -0.06 3.52 0.00 0.15 -2.03 120.51 122.64 1pks n ALA 39 Ca 0.18 -0.02 -0.20 0.00 0.00 0.00 0.00 53.44 53.40 1pks n ALA 39 Cb 0.12 -1.09 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 1pks n ALA 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pks n LEU 40 N -1.46 2.74 0.00 0.00 4.77 -1.24 -4.99 117.00 116.82 1pks n LEU 40 Ca 0.02 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1pks n LEU 40 Cb 0.06 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1pks n LEU 40 CO 0.05 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1pks n GLY 41 N 2.07 0.52 2.22 -0.72 0.00 -0.86 -5.14 105.19 103.28 1pks n GLY 41 Ca -0.39 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 1pks n GLY 41 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pks n PHE 42 N 0.00 -2.13 -3.94 1.61 3.72 -1.26 -5.00 117.46 110.46 1pks n PHE 42 Ca 0.00 -0.04 -0.22 0.00 -0.05 0.00 0.00 57.45 57.14 1pks n PHE 42 Cb 0.00 -0.99 -0.05 0.00 -0.94 0.00 0.00 39.48 37.51 1pks n PHE 42 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1pks s SER 43 N -1.89 5.05 -1.01 4.37 0.01 -1.26 -5.00 113.70 113.97 1pks s SER 43 Ca 0.25 -0.60 -0.24 0.00 1.31 0.00 0.00 55.95 56.67 1pks s SER 43 Cb -0.04 -0.89 -0.08 0.00 0.21 0.00 0.00 66.02 65.22 1pks s SER 43 CO 0.21 -0.32 1.99 -0.62 0.41 0.00 0.00 173.24 174.91 1pks s ASP 44 N -3.93 4.90 0.00 2.44 2.15 -1.26 -1.89 116.67 119.07 1pks s ASP 44 Ca 0.39 -1.01 0.00 0.00 0.43 0.00 0.00 52.55 52.36 1pks s ASP 44 Cb -0.05 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1pks s ASP 44 CO 0.25 -3.09 0.00 0.61 -0.17 0.00 0.00 175.17 172.77 1pks n GLY 45 N 6.42 0.83 0.20 2.66 0.00 -1.26 -4.99 105.19 109.05 1pks n GLY 45 Ca 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.36 1pks n GLY 45 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1pks h GLN 46 N 0.00 0.48 -1.12 1.61 4.20 -1.77 -2.95 115.11 115.56 1pks h GLN 46 Ca 0.00 -0.32 0.33 0.00 0.06 0.00 0.00 58.65 58.72 1pks h GLN 46 Cb 0.00 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 1pks h GLN 46 CO 0.00 0.93 1.06 1.05 -0.67 0.00 0.00 178.83 181.20 1pks h GLU 47 N 0.36 0.00 -1.38 1.46 9.09 -1.95 0.63 114.58 122.79 1pks h GLU 47 Ca -0.00 0.00 -0.55 0.00 0.05 0.00 0.00 59.36 58.86 1pks h GLU 47 Cb 1.13 0.00 -0.22 0.00 -1.65 0.00 0.00 28.75 28.01 1pks h GLU 47 CO 0.11 0.00 0.69 0.00 0.05 0.00 0.00 179.01 179.86 1pks n ALA 48 N -2.47 5.95 -2.83 1.06 0.00 -1.12 -4.48 120.51 116.63 1pks n ALA 48 Ca 0.25 -2.87 -0.11 0.00 0.00 0.00 0.00 53.44 50.71 1pks n ALA 48 Cb 1.41 -1.69 0.04 0.00 0.00 0.00 0.00 19.45 19.21 1pks n ALA 48 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1pks n ARG 49 N -0.27 0.86 -0.37 0.00 3.00 0.22 -4.89 116.66 115.21 1pks n ARG 49 Ca 0.49 -2.08 0.05 0.00 -0.00 0.00 0.00 57.85 56.31 1pks n ARG 49 Cb 0.58 -1.32 0.21 0.00 0.00 0.00 0.00 32.46 31.93 1pks n ARG 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1pks h PRO 50 N 3.62 1.04 -0.45 -0.14 0.11 -1.78 0.46 132.00 134.86 1pks h PRO 50 Ca -0.09 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.94 1pks h PRO 50 Cb 1.03 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 1pks h PRO 50 CO 0.30 0.69 0.20 1.05 -0.21 0.00 0.00 178.00 180.03 1pks h GLU 51 N 1.08 0.63 -0.55 1.05 4.11 -1.87 -1.62 114.58 117.41 1pks h GLU 51 Ca 0.47 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.83 1pks h GLU 51 Cb 0.36 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1pks h GLU 51 CO -0.23 0.50 0.00 0.39 0.07 0.00 0.00 179.01 179.75 1pks n GLU 52 N -4.38 3.32 -0.13 1.06 1.02 -0.15 -4.39 120.64 117.00 1pks n GLU 52 Ca 0.03 -2.68 -0.21 0.00 -0.02 0.00 0.00 57.16 54.29 1pks n GLU 52 Cb 0.13 -1.71 -0.12 0.00 -0.02 0.00 0.00 31.44 29.72 1pks n GLU 52 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1pks n ILE 53 N 0.86 1.51 0.00 -3.67 5.41 0.14 -5.02 119.36 118.59 1pks n ILE 53 Ca 0.22 -0.53 0.00 0.00 1.00 0.00 0.00 62.75 63.44 1pks n ILE 53 Cb 0.76 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 38.16 1pks n ILE 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pks n GLY 54 N 2.03 2.28 2.95 7.39 0.00 -1.07 -4.99 105.19 113.78 1pks n GLY 54 Ca -0.47 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 1pks n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pks s TRP 55 N 0.00 0.07 -0.00 1.61 0.52 -1.26 -1.78 118.94 118.10 1pks s TRP 55 Ca 0.00 -0.14 0.02 0.00 0.02 0.00 0.00 56.10 56.01 1pks s TRP 55 Cb 0.00 -0.06 -0.01 0.00 -1.15 0.00 0.00 33.47 32.25 1pks s TRP 55 CO 0.00 -0.10 -0.07 -0.51 0.02 0.00 0.00 176.95 176.30 1pks s LEU 56 N -0.59 2.03 -0.52 2.99 1.02 -0.65 -4.85 118.68 118.12 1pks s LEU 56 Ca -0.07 -0.14 -0.19 0.00 0.02 0.00 0.00 54.13 53.75 1pks s LEU 56 Cb -0.04 -0.34 0.07 0.00 0.02 0.00 0.00 46.19 45.90 1pks s LEU 56 CO -0.00 0.07 0.62 0.21 0.02 0.00 0.00 176.35 177.26 1pks s ASN 57 N -0.24 6.21 0.48 2.29 3.84 -1.26 -1.52 114.94 124.75 1pks s ASN 57 Ca 0.02 -1.02 0.02 0.00 0.21 0.00 0.00 52.86 52.09 1pks s ASN 57 Cb -0.03 -2.28 -0.01 0.00 -0.55 0.00 0.00 41.25 38.38 1pks s ASN 57 CO -0.00 -0.90 0.06 -0.83 -2.79 0.00 0.00 177.10 172.63 1pks s GLY 58 N 2.82 2.94 -0.35 1.21 0.00 -0.66 -4.43 107.32 108.86 1pks s GLY 58 Ca 0.14 -0.54 -0.05 0.00 0.00 0.00 0.00 44.72 44.27 1pks s GLY 58 CO 0.11 -2.05 0.11 -0.47 0.00 0.00 0.00 173.10 170.79 1pks s TYR 59 N -3.01 3.32 -1.04 1.90 5.04 -0.70 -2.60 117.35 120.25 1pks s TYR 59 Ca 0.10 -1.71 -0.23 0.00 -2.44 0.00 0.00 57.07 52.79 1pks s TYR 59 Cb 0.01 -2.44 0.03 0.00 0.35 0.00 0.00 41.96 39.91 1pks s TYR 59 CO 0.07 -0.80 1.58 -0.80 -1.34 0.00 0.00 175.55 174.26 1pks s ASN 60 N 1.50 6.29 0.39 4.32 0.01 0.18 -2.10 114.94 125.54 1pks s ASN 60 Ca -0.01 -1.47 0.10 0.00 -0.71 0.00 0.00 52.86 50.77 1pks s ASN 60 Cb -0.20 -2.57 0.87 0.00 0.41 0.00 0.00 41.25 39.76 1pks s ASN 60 CO 0.01 -1.70 1.93 -0.33 -1.51 0.00 0.00 177.10 175.49 1pks h GLU 61 N 9.73 0.59 -0.94 -0.60 5.08 -1.77 0.92 114.58 127.60 1pks h GLU 61 Ca 0.22 -0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.69 1pks h GLU 61 Cb 0.99 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 30.03 1pks h GLU 61 CO 1.39 0.39 0.60 1.15 -1.00 0.00 0.00 179.01 181.54 1pks h THR 62 N 0.61 0.82 -0.18 1.13 2.02 -1.87 -0.81 112.91 114.63 1pks h THR 62 Ca 0.36 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1pks h THR 62 Cb 0.55 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1pks h THR 62 CO -0.13 0.14 0.00 0.35 0.37 0.00 0.00 175.52 176.25 1pks n THR 63 N -4.60 0.46 -4.01 3.16 -2.24 -0.06 -4.97 114.28 102.02 1pks n THR 63 Ca 0.19 -0.73 -0.31 0.00 -2.27 0.00 0.00 64.05 60.93 1pks n THR 63 Cb 0.47 0.90 0.01 0.00 -2.10 0.00 0.00 70.33 69.61 1pks n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pks n GLY 64 N 0.64 -0.44 3.40 3.38 0.00 0.30 -4.95 105.19 107.52 1pks n GLY 64 Ca 0.10 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 1pks n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pks s GLU 65 N -6.67 1.48 -0.01 1.61 0.41 -0.93 -4.97 118.70 109.61 1pks s GLU 65 Ca 0.58 -1.68 0.02 0.00 -0.41 0.00 0.00 54.97 53.48 1pks s GLU 65 Cb -0.30 -1.32 -0.00 0.00 -1.78 0.00 0.00 34.13 30.72 1pks s GLU 65 CO 0.87 0.20 -0.07 0.50 -0.49 0.00 0.00 175.26 176.27 1pks s ARG 66 N -3.62 0.62 0.00 1.61 3.52 -1.26 -0.64 118.95 119.17 1pks s ARG 66 Ca 0.26 -0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.63 1pks s ARG 66 Cb -0.01 -0.60 0.00 0.00 -1.56 0.00 0.00 34.95 32.78 1pks s ARG 66 CO 0.10 0.12 0.00 0.41 -0.81 0.00 0.00 175.30 175.12 1pks n GLY 67 N 3.07 -1.50 3.95 8.12 0.00 -1.07 -4.87 105.19 112.89 1pks n GLY 67 Ca -0.15 -1.07 -0.23 0.00 0.00 0.00 0.00 46.02 44.58 1pks n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pks s ASP 68 N -3.04 5.89 0.11 1.61 1.01 -0.74 -1.65 116.67 119.87 1pks s ASP 68 Ca 0.00 0.30 -0.25 0.00 0.71 0.00 0.00 52.55 53.31 1pks s ASP 68 Cb 0.00 -1.59 0.08 0.00 1.01 0.00 0.00 42.92 42.42 1pks s ASP 68 CO 0.00 -0.65 0.72 0.72 0.21 0.00 0.00 175.17 176.17 1pks s PHE 69 N -2.52 -0.43 -0.13 4.23 -0.12 -0.58 -1.75 117.98 116.68 1pks s PHE 69 Ca 0.47 0.22 -0.29 0.00 -0.05 0.00 0.00 56.93 57.29 1pks s PHE 69 Cb -0.10 0.57 -0.06 0.00 -0.63 0.00 0.00 43.02 42.80 1pks s PHE 69 CO 0.38 -0.77 2.05 -2.14 -0.05 0.00 0.00 175.22 174.68 1pks s PRO 70 N -3.52 3.58 0.30 1.99 0.02 -1.26 -1.63 135.00 134.48 1pks s PRO 70 Ca 0.04 2.18 -0.00 0.00 0.02 0.00 0.00 61.00 63.24 1pks s PRO 70 Cb -0.01 -4.25 0.50 0.00 0.02 0.00 0.00 34.50 30.76 1pks s PRO 70 CO -0.10 -1.59 1.94 0.78 -0.33 0.00 0.00 177.00 177.71 1pks h GLY 71 N 13.03 1.23 1.02 0.52 0.00 -1.50 -0.92 103.07 116.45 1pks h GLY 71 Ca -0.43 -0.42 0.11 0.00 0.00 0.00 0.00 47.33 46.59 1pks h GLY 71 CO 0.96 0.35 0.38 -0.91 0.00 0.00 0.00 176.54 177.32 1pks h THR 72 N 1.05 0.44 -0.33 4.70 1.35 -1.78 0.12 112.91 118.46 1pks h THR 72 Ca 0.35 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 66.07 1pks h THR 72 Cb 0.06 0.70 -0.08 0.00 -1.73 0.00 0.00 68.15 67.10 1pks h THR 72 CO -0.11 0.00 0.18 -1.22 -0.25 0.00 0.00 175.52 174.12 1pks n TYR 73 N -3.82 1.07 -4.22 4.73 4.01 -0.35 -4.77 117.16 113.80 1pks n TYR 73 Ca 0.06 -0.80 -0.18 0.00 -0.16 0.00 0.00 57.90 56.82 1pks n TYR 73 Cb 0.55 -0.44 -0.07 0.00 -0.31 0.00 0.00 39.34 39.08 1pks n TYR 73 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1pks s VAL 74 N -1.38 0.00 -0.40 -0.72 -7.23 0.41 -0.91 120.40 110.17 1pks s VAL 74 Ca 0.22 -1.87 0.07 0.00 -1.81 0.00 0.00 61.98 58.58 1pks s VAL 74 Cb 0.18 -2.56 0.17 0.00 0.56 0.00 0.00 36.38 34.73 1pks s VAL 74 CO 0.05 0.00 0.55 -1.83 -0.31 0.00 0.00 175.10 173.56 1pks s GLU 75 N -3.26 0.77 0.08 4.82 -1.05 -0.16 -4.56 118.70 115.34 1pks s GLU 75 Ca 0.38 -0.45 -0.36 0.00 -0.15 0.00 0.00 54.97 54.38 1pks s GLU 75 Cb 0.01 -0.16 -0.18 0.00 -0.44 0.00 0.00 34.13 33.37 1pks s GLU 75 CO 0.26 -1.19 1.09 0.98 0.95 0.00 0.00 175.26 177.35 1pks n TYR 76 N 4.35 0.86 -0.08 4.83 9.36 -1.26 -2.47 117.16 132.75 1pks n TYR 76 Ca 0.11 0.87 0.00 0.00 3.32 0.00 0.00 57.90 62.20 1pks n TYR 76 Cb 0.53 -2.17 0.00 0.00 -0.63 0.00 0.00 39.34 37.07 1pks n TYR 76 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1pks n ILE 77 N 1.57 0.00 0.00 2.97 5.41 -1.07 -4.88 119.36 123.36 1pks n ILE 77 Ca 0.18 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.53 1pks n ILE 77 Cb 0.16 1.08 0.00 0.00 -0.71 0.00 0.00 39.64 40.17 1pks n ILE 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pks n GLY 78 N 0.48 0.79 0.56 7.39 0.00 -1.23 -5.07 105.19 108.11 1pks n GLY 78 Ca 0.00 -2.03 0.14 0.00 0.00 0.00 0.00 46.02 44.13 1pks n GLY 78 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36