#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c7m n ALA 2 N 0.00 4.07 -2.82 3.04 0.00 -1.26 -2.07 120.51 121.46 1c7m n ALA 2 Ca 0.00 -4.67 -0.41 0.00 0.00 0.00 0.00 53.44 48.37 1c7m n ALA 2 Cb 0.00 -1.63 -0.11 0.00 0.00 0.00 0.00 19.45 17.71 1c7m n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1c7m s ASP 3 N -0.91 5.78 0.35 0.00 -1.08 -1.26 -4.94 116.67 114.61 1c7m s ASP 3 Ca 0.31 -1.05 0.15 0.00 -0.52 0.00 0.00 52.55 51.44 1c7m s ASP 3 Cb -0.01 -2.04 0.65 0.00 -1.46 0.00 0.00 42.92 40.07 1c7m s ASP 3 CO -0.07 -0.42 1.75 1.55 0.52 0.00 0.00 175.17 178.50 1c7m h PRO 4 N 8.47 0.00 -0.23 4.34 0.13 -1.84 -2.34 132.00 140.53 1c7m h PRO 4 Ca -0.25 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 1c7m h PRO 4 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1c7m h PRO 4 CO 0.69 0.43 0.01 0.00 -0.23 0.00 0.00 178.00 178.89 1c7m h ALA 5 N 1.57 0.31 -0.03 -0.56 0.00 -1.95 -2.82 119.26 115.78 1c7m h ALA 5 Ca -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1c7m h ALA 5 Cb 0.85 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1c7m h ALA 5 CO 0.06 0.02 -0.10 0.00 0.00 0.00 0.00 179.25 179.23 1c7m h ALA 6 N 0.81 1.77 0.00 0.00 0.00 -1.92 -2.87 119.26 117.05 1c7m h ALA 6 Ca 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1c7m h ALA 6 Cb 0.39 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1c7m h ALA 6 CO 0.01 0.17 -0.01 0.78 0.00 0.00 0.00 179.25 180.20 1c7m h GLY 7 N 0.39 0.00 0.99 0.00 0.00 -1.29 -2.72 103.07 100.44 1c7m h GLY 7 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.23 1c7m h GLY 7 CO 0.01 0.00 -0.21 -2.09 0.00 0.00 0.00 176.54 174.25 1c7m h GLU 8 N 0.00 0.75 -0.29 4.80 4.81 -1.26 0.07 114.58 123.46 1c7m h GLU 8 Ca -0.00 -0.35 -0.11 0.00 -0.13 0.00 0.00 59.36 58.78 1c7m h GLU 8 Cb 0.14 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1c7m h GLU 8 CO 0.00 0.96 -0.27 1.57 -0.73 0.00 0.00 179.01 180.55 1c7m h LYS 9 N 0.53 0.58 -0.54 1.92 2.10 -1.66 -2.35 116.57 117.14 1c7m h LYS 9 Ca 0.07 -0.23 -0.07 0.00 -2.00 0.00 0.00 60.65 58.42 1c7m h LYS 9 Cb 0.76 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.04 1c7m h LYS 9 CO 0.06 0.79 0.06 0.28 -2.00 0.00 0.00 179.45 178.64 1c7m h VAL 10 N 0.51 1.24 -0.23 0.07 2.07 -1.54 -2.53 116.25 115.85 1c7m h VAL 10 Ca 0.07 -0.97 0.07 0.00 0.82 0.00 0.00 66.70 66.68 1c7m h VAL 10 Cb 0.72 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1c7m h VAL 10 CO 0.06 0.35 0.19 0.15 0.02 0.00 0.00 177.57 178.34 1c7m h PHE 11 N 0.83 0.00 -0.44 1.57 3.57 -0.90 -2.46 116.94 119.11 1c7m h PHE 11 Ca 0.17 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.80 1c7m h PHE 11 Cb 0.41 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1c7m h PHE 11 CO 0.02 0.00 0.43 0.78 -2.23 0.00 0.00 178.31 177.32 1c7m h GLY 12 N 0.00 0.00 1.16 2.40 0.00 -0.96 0.51 103.07 106.18 1c7m h GLY 12 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.33 1c7m h GLY 12 CO -0.00 0.00 -0.11 0.50 0.00 0.00 0.00 176.54 176.93 1c7m h LYS 13 N 0.00 0.98 0.06 4.80 1.79 -1.53 -3.35 116.57 119.32 1c7m h LYS 13 Ca 0.21 -0.36 -0.24 0.00 -2.18 0.00 0.00 60.65 58.09 1c7m h LYS 13 Cb 1.07 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.65 1c7m h LYS 13 CO -0.00 1.03 -1.07 0.00 -1.08 0.00 0.00 179.45 178.33 1c7m h LYS 15 N 0.10 0.08 -0.55 0.00 2.10 -1.09 -1.08 116.57 116.13 1c7m h LYS 15 Ca -0.09 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.55 1c7m h LYS 15 Cb 1.76 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 33.05 1c7m h LYS 15 CO 0.17 0.05 0.29 0.00 -2.00 0.00 0.00 179.45 177.96 1c7m h ALA 16 N 1.90 1.48 0.09 0.07 0.00 -1.82 -3.30 119.26 117.68 1c7m h ALA 16 Ca 0.09 -0.09 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 1c7m h ALA 16 Cb 0.24 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1c7m h ALA 16 CO -0.01 0.43 -1.72 0.00 0.00 0.00 0.00 179.25 177.95 1c7m s HIS 18 N -2.50 2.86 -0.22 0.00 3.76 -0.45 -0.68 115.29 118.06 1c7m s HIS 18 Ca -0.23 -0.46 0.06 0.00 -0.15 0.00 0.00 55.06 54.28 1c7m s HIS 18 Cb 0.06 -1.84 -0.18 0.00 1.11 0.00 0.00 32.58 31.73 1c7m s HIS 18 CO 0.73 -0.08 -0.13 1.63 -0.85 0.00 0.00 174.74 176.03 1c7m n LYS 19 N 3.30 0.71 -0.13 1.40 5.02 -0.91 -4.18 118.16 123.36 1c7m n LYS 19 Ca -0.18 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1c7m n LYS 19 Cb 0.53 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1c7m n LYS 19 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1c7m n LEU 20 N -3.05 0.25 -2.90 -0.35 -0.00 -1.25 -4.90 117.00 104.80 1c7m n LEU 20 Ca -0.39 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.29 1c7m n LEU 20 Cb 1.00 -0.73 -0.03 0.00 -0.00 0.00 0.00 43.42 43.66 1c7m n LEU 20 CO 0.29 -0.13 1.79 -0.67 -0.00 0.00 0.00 177.39 178.67 1c7m n ASP 21 N 0.00 7.10 0.00 1.45 2.03 -1.26 -4.41 116.55 121.46 1c7m n ASP 21 Ca 0.00 -3.31 0.00 0.00 0.52 0.00 0.00 54.79 52.00 1c7m n ASP 21 Cb 0.00 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 39.16 1c7m n ASP 21 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1c7m n GLY 22 N 0.85 1.14 3.66 0.27 0.00 -1.26 -4.94 105.19 104.91 1c7m n GLY 22 Ca 0.53 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 46.19 1c7m n GLY 22 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1c7m n ASN 23 N 2.92 0.80 0.00 1.61 0.23 -1.26 -4.77 115.26 114.79 1c7m n ASN 23 Ca 0.00 0.60 0.00 0.00 -0.53 0.00 0.00 54.58 54.65 1c7m n ASN 23 Cb 0.00 -1.48 0.00 0.00 -2.08 0.00 0.00 39.78 36.22 1c7m n ASN 23 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1c7m n ASP 24 N -2.83 0.00 0.00 0.53 8.00 -1.26 -3.88 116.55 117.11 1c7m n ASP 24 Ca 0.13 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1c7m n ASP 24 Cb 0.50 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1c7m n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c7m n GLY 25 N 2.23 0.19 0.09 0.44 0.00 -1.26 -2.15 105.19 104.73 1c7m n GLY 25 Ca 0.00 -1.34 -0.19 0.00 0.00 0.00 0.00 46.02 44.49 1c7m n GLY 25 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1c7m h VAL 26 N 0.00 0.99 -2.98 1.61 2.07 -1.14 -3.48 116.25 113.31 1c7m h VAL 26 Ca 0.00 -2.09 -0.46 0.00 0.82 0.00 0.00 66.70 64.97 1c7m h VAL 26 Cb 0.00 2.22 0.11 0.00 -1.52 0.00 0.00 31.29 32.09 1c7m h VAL 26 CO 0.00 0.33 0.22 -0.83 0.02 0.00 0.00 177.57 177.31 1c7m s GLY 27 N -4.66 1.76 1.06 2.17 0.00 -0.67 -5.03 107.32 101.96 1c7m s GLY 27 Ca -0.25 -1.44 -0.13 0.00 0.00 0.00 0.00 44.72 42.90 1c7m s GLY 27 CO 0.57 -0.84 1.08 2.56 0.00 0.00 0.00 173.10 176.47 1c7m s PRO 28 N -5.38 -0.06 0.10 2.90 0.04 -1.26 -4.65 135.00 126.69 1c7m s PRO 28 Ca 0.67 0.49 -0.31 0.00 0.04 0.00 0.00 61.00 61.89 1c7m s PRO 28 Cb -0.06 -1.68 -0.08 0.00 0.04 0.00 0.00 34.50 32.72 1c7m s PRO 28 CO 0.47 -3.06 1.50 -3.38 0.04 0.00 0.00 177.00 172.58 1c7m s HIS 29 N -2.88 2.93 -0.99 0.56 -3.43 -1.26 -4.38 115.29 105.85 1c7m s HIS 29 Ca 0.66 0.69 0.12 0.00 -0.80 0.00 0.00 55.06 55.74 1c7m s HIS 29 Cb -0.19 -3.81 0.55 0.00 -1.43 0.00 0.00 32.58 27.69 1c7m s HIS 29 CO 0.59 -3.03 1.39 1.28 -2.00 0.00 0.00 174.74 172.97 1c7m n LEU 30 N 4.59 3.86 -4.62 5.38 4.77 -1.26 -4.85 117.00 124.87 1c7m n LEU 30 Ca 0.13 -1.95 -0.43 0.00 -0.03 0.00 0.00 56.01 53.74 1c7m n LEU 30 Cb 0.41 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 1c7m n LEU 30 CO 0.60 0.58 1.60 0.54 -1.33 0.00 0.00 177.39 179.39 1c7m s ASN 31 N -0.70 5.95 -0.72 -1.43 2.20 -1.26 -2.69 114.94 116.28 1c7m s ASN 31 Ca 0.38 1.76 -0.02 0.00 -0.94 0.00 0.00 52.86 54.03 1c7m s ASN 31 Cb 0.26 -2.52 0.00 0.00 -2.00 0.00 0.00 41.25 36.99 1c7m s ASN 31 CO 0.16 -1.59 0.25 0.61 -2.94 0.00 0.00 177.10 173.59 1c7m n GLY 32 N 5.22 0.11 0.14 0.45 0.00 -1.26 -5.00 105.19 104.85 1c7m n GLY 32 Ca 0.24 -0.38 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 1c7m n GLY 32 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1c7m h VAL 33 N -0.56 1.41 -2.92 1.61 3.04 -1.70 -3.36 116.25 113.76 1c7m h VAL 33 Ca -0.24 -2.03 -0.56 0.00 -1.01 0.00 0.00 66.70 62.86 1c7m h VAL 33 Cb 1.17 2.10 -0.05 0.00 -2.01 0.00 0.00 31.29 32.50 1c7m h VAL 33 CO 0.26 0.58 1.14 -0.69 -1.01 0.00 0.00 177.57 177.84 1c7m s VAL 34 N -3.65 3.75 0.00 1.51 1.01 -1.26 -1.73 120.40 120.02 1c7m s VAL 34 Ca -0.01 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1c7m s VAL 34 Cb 0.13 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1c7m s VAL 34 CO 0.76 -0.87 0.00 0.61 0.00 0.00 0.00 175.10 175.60 1c7m n GLY 35 N 5.25 0.76 3.92 4.51 0.00 0.32 -4.98 105.19 114.98 1c7m n GLY 35 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1c7m n GLY 35 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1c7m s ARG 36 N -0.58 3.48 0.72 1.61 3.52 -0.71 -4.79 118.95 122.20 1c7m s ARG 36 Ca 0.00 -0.39 -0.16 0.00 -0.13 0.00 0.00 55.73 55.05 1c7m s ARG 36 Cb 0.00 -2.96 0.03 0.00 -1.56 0.00 0.00 34.95 30.46 1c7m s ARG 36 CO 0.00 0.54 1.24 -0.08 -0.81 0.00 0.00 175.30 176.19 1c7m s THR 37 N -1.62 2.13 -0.07 4.11 -1.32 -1.26 -0.52 115.64 117.09 1c7m s THR 37 Ca 0.36 0.07 -0.30 0.00 -1.21 0.00 0.00 61.69 60.61 1c7m s THR 37 Cb -0.12 -2.75 -0.02 0.00 -1.51 0.00 0.00 72.50 68.10 1c7m s THR 37 CO 0.28 -0.03 1.07 -0.69 -2.21 0.00 0.00 174.62 173.03 1c7m s VAL 38 N -1.80 4.60 -0.81 5.08 1.01 -0.49 -1.34 120.40 126.66 1c7m s VAL 38 Ca 0.77 1.88 0.00 0.00 0.00 0.00 0.00 61.98 64.64 1c7m s VAL 38 Cb -0.32 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 31.85 1c7m s VAL 38 CO 0.44 0.03 0.00 0.00 0.00 0.00 0.00 175.10 175.58 1c7m n ALA 39 N 4.83 -0.21 -1.81 5.51 0.00 -1.26 -3.33 120.51 124.24 1c7m n ALA 39 Ca 0.09 0.10 -0.38 0.00 0.00 0.00 0.00 53.44 53.25 1c7m n ALA 39 Cb 0.48 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 1c7m n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c7m n GLY 40 N -1.34 4.93 2.64 0.00 0.00 -0.45 -4.71 105.19 106.25 1c7m n GLY 40 Ca -0.10 -1.93 -0.24 0.00 0.00 0.00 0.00 46.02 43.75 1c7m n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1c7m s VAL 41 N -0.70 -0.12 -0.64 1.61 1.01 -1.26 -4.87 120.40 115.43 1c7m s VAL 41 Ca 0.57 -0.09 -0.27 0.00 0.00 0.00 0.00 61.98 62.20 1c7m s VAL 41 Cb 0.21 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 1c7m s VAL 41 CO -0.10 -0.22 1.74 1.51 0.00 0.00 0.00 175.10 178.03 1c7m s ASP 42 N 2.17 5.46 0.00 3.32 -4.77 -1.26 -2.96 116.67 118.63 1c7m s ASP 42 Ca 0.03 0.17 0.00 0.00 -3.30 0.00 0.00 52.55 49.45 1c7m s ASP 42 Cb -0.15 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.14 1c7m s ASP 42 CO -0.09 -2.26 0.00 0.61 0.70 0.00 0.00 175.17 174.13 1c7m n GLY 43 N 5.63 3.44 3.73 2.12 0.00 -1.26 -5.14 105.19 113.72 1c7m n GLY 43 Ca 0.17 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 1c7m n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1c7m s PHE 44 N 0.00 3.79 -0.87 1.61 2.19 -1.15 -5.02 117.98 118.53 1c7m s PHE 44 Ca 0.00 1.75 -0.24 0.00 0.33 0.00 0.00 56.93 58.77 1c7m s PHE 44 Cb 0.00 -3.03 0.05 0.00 -1.31 0.00 0.00 43.02 38.73 1c7m s PHE 44 CO 0.00 0.20 1.32 1.21 1.83 0.00 0.00 175.22 179.77 1c7m s ASN 45 N 0.07 6.34 0.67 6.13 3.84 -1.26 -4.91 114.94 125.81 1c7m s ASN 45 Ca 0.46 -1.03 -0.10 0.00 0.21 0.00 0.00 52.86 52.40 1c7m s ASN 45 Cb -0.23 -2.54 0.01 0.00 -0.55 0.00 0.00 41.25 37.94 1c7m s ASN 45 CO 0.29 -1.61 1.04 -0.31 -2.79 0.00 0.00 177.10 173.71 1c7m s TYR 46 N 5.06 3.33 0.72 0.43 2.02 -1.26 -5.09 117.35 122.56 1c7m s TYR 46 Ca 0.38 0.95 -0.12 0.00 -0.37 0.00 0.00 57.07 57.92 1c7m s TYR 46 Cb -0.05 -2.95 0.03 0.00 -0.40 0.00 0.00 41.96 38.59 1c7m s TYR 46 CO 0.02 -1.04 1.08 -1.54 -1.57 0.00 0.00 175.55 172.51 1c7m s SER 47 N -4.33 4.91 0.13 2.29 1.04 -1.26 -4.86 113.70 111.62 1c7m s SER 47 Ca 0.57 1.81 -0.19 0.00 0.48 0.00 0.00 55.95 58.61 1c7m s SER 47 Cb -0.11 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.47 1c7m s SER 47 CO 0.50 -1.76 1.75 0.44 0.98 0.00 0.00 173.24 175.15 1c7m h ASP 48 N -0.71 0.11 0.68 7.02 3.32 -1.99 -1.18 116.42 123.68 1c7m h ASP 48 Ca -0.44 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.59 1c7m h ASP 48 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 1c7m h ASP 48 CO 0.54 0.10 -0.17 1.55 -1.72 0.00 0.00 179.24 179.53 1c7m h PRO 49 N 0.21 0.00 0.13 3.56 0.13 -1.85 -0.64 132.00 133.53 1c7m h PRO 49 Ca 0.10 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 1c7m h PRO 49 Cb 0.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.19 1c7m h PRO 49 CO -0.10 0.17 -0.06 1.98 -0.23 0.00 0.00 178.00 179.76 1c7m h MET 50 N 0.00 -0.17 -0.82 0.86 -1.53 -1.76 -2.75 114.93 108.77 1c7m h MET 50 Ca -0.00 0.01 -0.04 0.00 -3.44 0.00 0.00 59.70 56.23 1c7m h MET 50 Cb 0.56 0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 31.61 1c7m h MET 50 CO 0.02 -0.01 0.35 0.87 0.14 0.00 0.00 176.91 178.29 1c7m h LYS 51 N -0.29 1.20 0.00 0.39 1.57 -1.13 -3.05 116.57 115.26 1c7m h LYS 51 Ca -0.02 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1c7m h LYS 51 Cb 0.23 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1c7m h LYS 51 CO 0.03 0.95 0.00 0.00 -0.57 0.00 0.00 179.45 179.86 1c7m h ALA 52 N 1.19 1.00 0.30 3.86 0.00 -1.20 -3.28 119.26 121.13 1c7m h ALA 52 Ca 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1c7m h ALA 52 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1c7m h ALA 52 CO -0.03 0.00 -0.14 1.25 0.00 0.00 0.00 179.25 180.33 1c7m h HIS 53 N 0.00 -0.37 0.00 0.00 -0.00 -1.37 -3.49 115.15 109.92 1c7m h HIS 53 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1c7m h HIS 53 Cb 0.23 0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.76 1c7m h HIS 53 CO 0.00 -0.23 0.00 0.41 -0.00 0.00 0.00 177.93 178.11 1c7m n GLY 54 N -0.31 2.42 7.00 5.26 0.00 -1.21 -4.95 105.19 113.39 1c7m n GLY 54 Ca -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1c7m n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c7m n GLY 55 N 0.00 3.97 3.26 -0.02 0.00 -1.26 -1.39 105.19 109.75 1c7m n GLY 55 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1c7m n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c7m s ASP 56 N -4.00 -0.21 -1.14 1.61 1.01 -1.26 -4.06 116.67 108.62 1c7m s ASP 56 Ca 0.00 0.04 -0.21 0.00 0.71 0.00 0.00 52.55 53.09 1c7m s ASP 56 Cb 0.00 0.35 0.05 0.00 1.01 0.00 0.00 42.92 44.33 1c7m s ASP 56 CO 0.00 -0.52 1.61 0.26 0.21 0.00 0.00 175.17 176.73 1c7m s TRP 57 N -1.75 2.59 0.70 4.23 0.23 0.32 -4.80 118.94 120.46 1c7m s TRP 57 Ca -0.10 -1.08 -0.12 0.00 -2.03 0.00 0.00 56.10 52.77 1c7m s TRP 57 Cb -0.03 -4.68 0.01 0.00 0.03 0.00 0.00 33.47 28.80 1c7m s TRP 57 CO 0.02 -1.85 1.07 0.95 0.96 0.00 0.00 176.95 178.10 1c7m s THR 58 N 5.05 3.73 -0.35 2.01 -4.23 -1.26 -0.52 115.64 120.07 1c7m s THR 58 Ca 0.51 0.62 -0.04 0.00 -1.18 0.00 0.00 61.69 61.59 1c7m s THR 58 Cb 0.01 -3.23 -0.12 0.00 1.34 0.00 0.00 72.50 70.51 1c7m s THR 58 CO -0.01 -0.68 2.24 -0.81 -0.54 0.00 0.00 174.62 174.81 1c7m n PRO 59 N -3.03 1.52 0.08 3.99 -0.04 -1.26 -2.05 135.00 134.21 1c7m n PRO 59 Ca 0.08 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 1c7m n PRO 59 Cb 0.53 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 1c7m n PRO 59 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1c7m n GLU 60 N 3.27 0.00 -0.23 0.54 2.13 -1.26 -4.76 120.64 120.32 1c7m n GLU 60 Ca 0.33 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 58.14 1c7m n GLU 60 Cb 0.38 0.00 0.11 0.00 0.27 0.00 0.00 31.44 32.20 1c7m n GLU 60 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1c7m h ALA 61 N 0.00 0.91 -0.61 4.31 0.00 -1.92 -2.24 119.26 119.71 1c7m h ALA 61 Ca 0.00 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1c7m h ALA 61 Cb 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1c7m h ALA 61 CO 0.00 -0.02 0.40 -0.07 0.00 0.00 0.00 179.25 179.56 1c7m h LEU 62 N 0.61 0.53 -1.32 0.00 3.38 -1.73 -0.60 115.31 116.18 1c7m h LEU 62 Ca 0.32 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.22 1c7m h LEU 62 Cb 0.28 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1c7m h LEU 62 CO -0.23 0.35 -0.32 1.56 0.09 0.00 0.00 178.44 179.89 1c7m h GLN 63 N 0.60 0.00 0.05 1.13 4.20 -1.66 0.21 115.11 119.65 1c7m h GLN 63 Ca 0.26 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.85 1c7m h GLN 63 Cb 0.26 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 1c7m h GLN 63 CO -0.08 0.32 -0.59 1.49 -0.67 0.00 0.00 178.83 179.30 1c7m h GLU 64 N 0.00 0.11 -0.89 1.46 4.81 -1.46 -3.38 114.58 115.24 1c7m h GLU 64 Ca -0.00 -0.19 0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1c7m h GLU 64 Cb 0.65 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.05 1c7m h GLU 64 CO 0.04 1.09 0.58 0.35 -0.73 0.00 0.00 179.01 180.34 1c7m h PHE 65 N -0.75 1.10 0.00 0.92 3.57 -1.10 -0.26 116.94 120.43 1c7m h PHE 65 Ca -0.13 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1c7m h PHE 65 Cb 1.31 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1c7m h PHE 65 CO 0.21 0.66 0.00 1.28 -2.23 0.00 0.00 178.31 178.23 1c7m n LEU 66 N -4.50 0.00 -0.04 0.59 4.77 0.75 -1.76 117.00 116.81 1c7m n LEU 66 Ca 0.10 0.05 -0.06 0.00 -0.03 0.00 0.00 56.01 56.08 1c7m n LEU 66 Cb 0.05 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1c7m n LEU 66 CO 0.35 -0.03 -0.78 0.41 -1.33 0.00 0.00 177.39 176.01 1c7m n THR 67 N -1.05 0.51 -3.62 -5.08 -1.04 -0.88 -0.16 114.28 102.97 1c7m n THR 67 Ca 0.10 -0.22 -0.28 0.00 -2.04 0.00 0.00 64.05 61.61 1c7m n THR 67 Cb 0.06 -0.82 -0.11 0.00 -1.82 0.00 0.00 70.33 67.64 1c7m n THR 67 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1c7m s ASN 68 N -4.69 3.03 0.20 8.00 0.02 -0.16 -4.10 114.94 117.24 1c7m s ASN 68 Ca -0.11 -3.13 -0.10 0.00 -1.02 0.00 0.00 52.86 48.50 1c7m s ASN 68 Cb 0.03 -0.92 0.26 0.00 0.02 0.00 0.00 41.25 40.65 1c7m s ASN 68 CO 0.22 -0.18 1.73 -0.65 0.02 0.00 0.00 177.10 178.24 1c7m h PRO 69 N 5.92 0.32 0.00 -0.60 0.11 -1.56 -2.45 132.00 133.74 1c7m h PRO 69 Ca 0.15 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1c7m h PRO 69 Cb 0.87 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1c7m h PRO 69 CO 0.49 0.21 0.00 0.87 -0.21 0.00 0.00 178.00 179.36 1c7m h LYS 70 N 0.33 0.00 -0.07 1.05 1.57 -1.88 -1.49 116.57 116.07 1c7m h LYS 70 Ca 0.30 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.91 1c7m h LYS 70 Cb 0.40 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.72 1c7m h LYS 70 CO -0.34 0.00 -0.59 0.00 -0.57 0.00 0.00 179.45 177.95 1c7m h ALA 71 N 2.21 0.17 0.04 3.86 0.00 -1.83 -3.11 119.26 120.59 1c7m h ALA 71 Ca 0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1c7m h ALA 71 Cb 0.41 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1c7m h ALA 71 CO 0.00 0.42 -0.02 0.28 0.00 0.00 0.00 179.25 179.94 1c7m h VAL 72 N 0.12 1.27 -3.55 0.00 2.07 -1.54 -3.40 116.25 111.22 1c7m h VAL 72 Ca -0.05 -1.70 -0.72 0.00 0.82 0.00 0.00 66.70 65.04 1c7m h VAL 72 Cb 1.25 2.29 -0.32 0.00 -1.52 0.00 0.00 31.29 32.99 1c7m h VAL 72 CO 0.12 0.39 -0.29 -0.69 0.02 0.00 0.00 177.57 177.12 1c7m s VAL 73 N -2.70 4.15 -0.39 2.57 1.01 -0.57 -5.07 120.40 119.40 1c7m s VAL 73 Ca -0.14 -2.58 -0.29 0.00 0.00 0.00 0.00 61.98 58.97 1c7m s VAL 73 Cb -0.01 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 1c7m s VAL 73 CO 0.54 -0.88 1.57 -1.59 0.00 0.00 0.00 175.10 174.75 1c7m s LYS 74 N 0.33 3.45 0.00 2.72 0.00 -1.18 -2.18 119.74 122.89 1c7m s LYS 74 Ca 0.14 1.11 0.00 0.00 0.00 0.00 0.00 55.97 57.22 1c7m s LYS 74 Cb -0.19 -4.10 0.00 0.00 0.00 0.00 0.00 37.83 33.53 1c7m s LYS 74 CO -0.04 -1.72 0.00 0.41 0.00 0.00 0.00 175.35 174.00 1c7m n GLY 75 N 5.24 1.01 3.73 0.59 0.00 -1.26 -4.75 105.19 109.75 1c7m n GLY 75 Ca 0.19 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1c7m n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1c7m s THR 76 N -2.43 4.27 -1.86 2.61 -1.32 -0.93 -4.55 115.64 111.44 1c7m s THR 76 Ca 0.00 1.95 0.00 0.00 -1.21 0.00 0.00 61.69 62.43 1c7m s THR 76 Cb 0.00 -4.24 0.00 0.00 -1.51 0.00 0.00 72.50 66.75 1c7m s THR 76 CO 0.00 0.33 0.48 0.29 -2.21 0.00 0.00 174.62 173.51 1c7m n LYS 77 N 2.50 0.52 -2.71 7.08 5.02 -1.26 -4.73 118.16 124.58 1c7m n LYS 77 Ca 0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 1c7m n LYS 77 Cb 0.48 -1.04 -0.03 0.00 -0.02 0.00 0.00 35.03 34.42 1c7m n LYS 77 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1c7m s MET 78 N -1.86 3.18 -1.44 1.97 1.75 -1.26 -4.96 119.30 116.68 1c7m s MET 78 Ca 0.00 -0.49 -0.14 0.00 -1.25 0.00 0.00 55.69 53.81 1c7m s MET 78 Cb 0.00 -4.19 0.04 0.00 2.84 0.00 0.00 34.83 33.52 1c7m s MET 78 CO 0.00 -1.94 2.22 0.00 -0.65 0.00 0.00 175.02 174.65 1c7m n ALA 79 N 8.46 5.48 -3.55 4.11 0.00 -1.26 -4.87 120.51 128.88 1c7m n ALA 79 Ca 0.00 -3.87 -0.26 0.00 0.00 0.00 0.00 53.44 49.31 1c7m n ALA 79 Cb 0.47 -3.54 -0.17 0.00 0.00 0.00 0.00 19.45 16.21 1c7m n ALA 79 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1c7m s PHE 80 N 3.25 1.68 -0.58 0.00 5.36 -1.26 -5.06 117.98 121.37 1c7m s PHE 80 Ca 0.47 -0.70 0.26 0.00 -0.96 0.00 0.00 56.93 56.00 1c7m s PHE 80 Cb 0.14 -1.23 0.79 0.00 -0.34 0.00 0.00 43.02 42.38 1c7m s PHE 80 CO -0.08 -0.37 1.75 0.00 -1.46 0.00 0.00 175.22 175.06 1c7m h ALA 81 N 7.21 1.00 0.00 11.12 0.00 -1.93 -3.42 119.26 133.23 1c7m h ALA 81 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1c7m h ALA 81 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1c7m h ALA 81 CO 0.47 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1c7m n GLY 82 N 0.95 2.82 3.76 0.00 0.00 -1.26 -4.83 105.19 106.64 1c7m n GLY 82 Ca 0.04 -1.71 -0.39 0.00 0.00 0.00 0.00 46.02 43.96 1c7m n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1c7m s LEU 83 N 0.00 4.48 -0.14 0.99 1.43 0.78 -4.92 118.68 121.29 1c7m s LEU 83 Ca 0.00 1.37 -0.23 0.00 -1.03 0.00 0.00 54.13 54.24 1c7m s LEU 83 Cb 0.00 -3.10 -0.21 0.00 0.03 0.00 0.00 46.19 42.91 1c7m s LEU 83 CO 0.00 0.11 0.56 1.55 0.23 0.00 0.00 176.35 178.80 1c7m h PRO 84 N 5.26 0.00 -6.69 1.29 0.13 -1.95 -3.41 132.00 126.64 1c7m h PRO 84 Ca -0.46 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.17 1c7m h PRO 84 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1c7m h PRO 84 CO 0.69 0.82 0.10 0.15 -0.23 0.00 0.00 178.00 179.53 1c7m s LYS 85 N -2.14 4.08 0.29 0.86 1.02 -1.26 -5.01 119.74 117.59 1c7m s LYS 85 Ca -0.17 0.74 0.01 0.00 0.02 0.00 0.00 55.97 56.56 1c7m s LYS 85 Cb -0.01 -2.56 0.54 0.00 -0.52 0.00 0.00 37.83 35.27 1c7m s LYS 85 CO 0.56 0.22 1.88 0.97 -0.92 0.00 0.00 175.35 178.07 1c7m h ILE 86 N 2.19 1.01 -0.18 2.17 -0.00 -1.98 -2.47 117.51 118.27 1c7m h ILE 86 Ca -0.48 -0.35 -0.01 0.00 -0.00 0.00 0.00 64.86 64.02 1c7m h ILE 86 Cb 1.18 -0.10 -0.01 0.00 -0.00 0.00 0.00 36.82 37.89 1c7m h ILE 86 CO 0.65 0.19 0.07 -0.33 -0.00 0.00 0.00 178.15 178.73 1c7m h GLU 87 N 1.02 0.24 0.60 2.19 5.08 -1.95 -1.64 114.58 120.13 1c7m h GLU 87 Ca 0.43 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.74 1c7m h GLU 87 Cb 0.31 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1c7m h GLU 87 CO -0.19 0.20 -0.29 -0.44 -1.00 0.00 0.00 179.01 177.29 1c7m h ASP 88 N 0.24 -0.69 -0.38 1.42 3.32 -1.78 -0.17 116.42 118.39 1c7m h ASP 88 Ca 0.06 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1c7m h ASP 88 Cb 0.04 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1c7m h ASP 88 CO -0.01 -0.43 0.14 0.08 -1.72 0.00 0.00 179.24 177.30 1c7m h ARG 89 N -0.90 0.57 -0.93 3.56 -0.00 -1.63 -2.63 114.38 112.41 1c7m h ARG 89 Ca -0.08 -0.11 0.03 0.00 -0.00 0.00 0.00 59.98 59.81 1c7m h ARG 89 Cb 0.65 -0.09 -0.05 0.00 -0.00 0.00 0.00 29.97 30.48 1c7m h ARG 89 CO 0.14 0.56 0.62 0.00 -0.00 0.00 0.00 179.97 181.28 1c7m h ALA 90 N 0.98 1.38 -0.09 0.08 0.00 -1.34 0.91 119.26 121.17 1c7m h ALA 90 Ca 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1c7m h ALA 90 Cb 0.22 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1c7m h ALA 90 CO -0.01 0.55 0.05 -0.91 0.00 0.00 0.00 179.25 178.94 1c7m h ASN 91 N 1.21 0.11 -0.51 0.00 2.35 -0.44 -1.41 115.58 116.90 1c7m h ASN 91 Ca 0.36 -0.06 0.01 0.00 -0.55 0.00 0.00 56.30 56.07 1c7m h ASN 91 Cb -0.05 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 1c7m h ASN 91 CO -0.10 0.13 0.32 0.25 -1.65 0.00 0.00 177.43 176.39 1c7m h LEU 92 N 0.08 0.55 -0.41 1.61 5.85 -1.33 -1.09 115.31 120.57 1c7m h LEU 92 Ca 0.03 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.78 1c7m h LEU 92 Cb 0.05 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1c7m h LEU 92 CO -0.01 0.39 0.19 0.40 -0.34 0.00 0.00 178.44 179.08 1c7m h ILE 93 N 0.65 0.95 -0.92 4.05 2.04 -0.85 -1.34 117.51 122.10 1c7m h ILE 93 Ca 0.19 -0.13 0.09 0.00 1.00 0.00 0.00 64.86 66.01 1c7m h ILE 93 Cb -0.04 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 36.50 1c7m h ILE 93 CO -0.06 0.07 0.56 0.00 0.00 0.00 0.00 178.15 178.72 1c7m h ALA 94 N 1.22 1.32 0.15 1.87 0.00 -1.19 -1.64 119.26 121.00 1c7m h ALA 94 Ca 0.18 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1c7m h ALA 94 Cb 0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1c7m h ALA 94 CO -0.14 0.22 -0.12 -0.92 0.00 0.00 0.00 179.25 178.30 1c7m h TYR 95 N 0.94 -0.31 -0.04 0.00 3.20 -0.88 -3.30 116.97 116.58 1c7m h TYR 95 Ca 0.43 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.30 1c7m h TYR 95 Cb 0.35 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1c7m h TYR 95 CO -0.03 -0.16 0.00 1.47 -1.64 0.00 0.00 178.16 177.80 1c7m n LEU 96 N -2.96 0.25 0.05 2.82 -0.00 -0.53 0.11 117.00 116.74 1c7m n LEU 96 Ca -0.03 -0.12 -0.13 0.00 -0.00 0.00 0.00 56.01 55.73 1c7m n LEU 96 Cb 0.11 -0.03 -0.09 0.00 -0.00 0.00 0.00 43.42 43.42 1c7m n LEU 96 CO 0.07 0.06 0.67 -0.33 -0.00 0.00 0.00 177.39 177.86 1c7m h GLU 97 N 0.29 -0.12 0.00 1.47 5.08 -1.42 -3.39 114.58 116.49 1c7m h GLU 97 Ca 0.00 0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 1c7m h GLU 97 Cb 0.07 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1c7m h GLU 97 CO 0.00 0.20 -1.11 0.78 -1.00 0.00 0.00 179.01 177.88 1c7m h GLY 98 N -0.44 0.00 -7.34 -3.84 0.00 -1.41 -3.44 103.07 86.60 1c7m h GLY 98 Ca -0.01 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.70 1c7m h GLY 98 CO 0.02 0.00 1.69 1.20 0.00 0.00 0.00 176.54 179.45 1c7m s GLN 99 N -2.33 3.67 0.00 4.80 -1.52 0.12 -5.08 119.66 119.32 1c7m s GLN 99 Ca -0.26 -1.36 0.25 0.00 -1.95 0.00 0.00 55.36 52.03 1c7m s GLN 99 Cb 0.05 -5.41 0.36 0.00 -0.22 0.00 0.00 33.01 27.80 1c7m s GLN 99 CO 0.52 -2.27 1.36 1.04 -0.25 0.00 0.00 175.29 175.69