#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 3.14 -3.16 3.17 0.00 -1.26 -3.99 120.51 118.41 1c7m n ALA 2 Ca 0.00 -3.80 -0.42 0.00 0.00 0.00 0.00 53.44 49.22 1c7m n ALA 2 Cb 0.00 -0.88 -0.09 0.00 0.00 0.00 0.00 19.45 18.48 1c7m n ALA 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1c7m s ASP 3 N -0.75 5.82 0.29 0.00 1.01 -1.26 -4.95 116.67 116.83 1c7m s ASP 3 Ca 0.30 -1.47 0.11 0.00 0.71 0.00 0.00 52.55 52.20 1c7m s ASP 3 Cb 0.01 -2.06 0.44 0.00 1.01 0.00 0.00 42.92 42.32 1c7m s ASP 3 CO -0.18 -0.59 1.66 1.55 0.21 0.00 0.00 175.17 177.82 1c7m h PRO 4 N 8.53 0.00 -0.65 8.23 0.13 -1.86 -2.27 132.00 144.11 1c7m h PRO 4 Ca -0.25 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.84 1c7m h PRO 4 Cb 1.09 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 1c7m h PRO 4 CO 0.81 0.56 0.26 0.00 -0.23 0.00 0.00 178.00 179.40 1c7m h ALA 5 N 1.44 0.85 -0.55 -0.56 0.00 -1.95 -2.70 119.26 115.79 1c7m h ALA 5 Ca -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1c7m h ALA 5 Cb 1.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1c7m h ALA 5 CO 0.07 0.47 0.23 0.00 0.00 0.00 0.00 179.25 180.02 1c7m h ALA 6 N 1.11 1.38 0.00 0.00 0.00 -1.90 -2.93 119.26 116.91 1c7m h ALA 6 Ca 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1c7m h ALA 6 Cb 0.21 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1c7m h ALA 6 CO -0.02 0.48 -0.00 0.78 0.00 0.00 0.00 179.25 180.49 1c7m h GLY 7 N 0.90 0.00 0.73 0.00 0.00 -1.26 -2.54 103.07 100.91 1c7m h GLY 7 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 1c7m h GLY 7 CO -0.02 0.00 -0.05 -2.09 0.00 0.00 0.00 176.54 174.38 1c7m h GLU 8 N 0.00 0.27 -0.41 4.80 4.22 -1.28 -0.24 114.58 121.93 1c7m h GLU 8 Ca -0.00 -0.11 -0.09 0.00 0.08 0.00 0.00 59.36 59.24 1c7m h GLU 8 Cb 0.07 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1c7m h GLU 8 CO 0.00 0.58 -0.10 1.57 -2.18 0.00 0.00 179.01 178.88 1c7m h LYS 9 N -0.07 0.73 -0.53 1.92 2.10 -1.63 -2.31 116.57 116.78 1c7m h LYS 9 Ca 0.03 -0.23 -0.02 0.00 -2.00 0.00 0.00 60.65 58.43 1c7m h LYS 9 Cb 0.50 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 31.74 1c7m h LYS 9 CO 0.02 0.81 0.25 0.28 -2.00 0.00 0.00 179.45 178.80 1c7m h VAL 10 N 0.66 1.20 -0.04 0.07 2.07 -1.54 -3.00 116.25 115.68 1c7m h VAL 10 Ca 0.12 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1c7m h VAL 10 Cb 0.55 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1c7m h VAL 10 CO 0.03 0.23 0.07 0.15 0.02 0.00 0.00 177.57 178.08 1c7m h PHE 11 N 0.72 0.00 -0.65 1.57 3.57 -0.91 -2.53 116.94 118.71 1c7m h PHE 11 Ca 0.18 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.87 1c7m h PHE 11 Cb 0.14 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1c7m h PHE 11 CO -0.00 0.00 0.48 0.78 -2.23 0.00 0.00 178.31 177.34 1c7m h GLY 12 N 0.00 0.00 1.16 2.40 0.00 -1.26 -0.15 103.07 105.22 1c7m h GLY 12 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 1c7m h GLY 12 CO -0.00 0.00 0.28 0.50 0.00 0.00 0.00 176.54 177.32 1c7m h LYS 13 N 0.00 1.07 0.04 4.80 1.57 -1.60 -3.31 116.57 119.13 1c7m h LYS 13 Ca 0.31 -0.19 -0.25 0.00 -1.87 0.00 0.00 60.65 58.65 1c7m h LYS 13 Cb 1.26 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 33.41 1c7m h LYS 13 CO -0.00 0.88 -1.05 0.00 -0.57 0.00 0.00 179.45 178.70 1c7m n LYS 15 N -3.75 0.00 -0.22 0.00 2.85 -0.18 -1.60 118.16 115.26 1c7m n LYS 15 Ca -0.09 0.13 -0.03 0.00 -1.05 0.00 0.00 58.31 57.27 1c7m n LYS 15 Cb 0.89 -1.50 0.15 0.00 -0.65 0.00 0.00 35.03 33.92 1c7m n LYS 15 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1c7m h ALA 16 N 2.74 1.20 0.07 0.58 0.00 -1.84 -3.36 119.26 118.65 1c7m h ALA 16 Ca 0.00 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.53 1c7m h ALA 16 Cb 0.37 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1c7m h ALA 16 CO 0.00 0.59 -1.10 0.00 0.00 0.00 0.00 179.25 178.74 1c7m s HIS 18 N -2.40 2.76 -0.24 0.00 3.76 -0.65 -1.90 115.29 116.62 1c7m s HIS 18 Ca -0.22 -0.71 0.06 0.00 -0.15 0.00 0.00 55.06 54.04 1c7m s HIS 18 Cb 0.03 -1.81 -0.19 0.00 1.11 0.00 0.00 32.58 31.72 1c7m s HIS 18 CO 0.71 -0.24 -0.14 1.63 -0.85 0.00 0.00 174.74 175.85 1c7m n LYS 19 N 3.50 0.66 0.00 1.40 4.01 -1.26 -4.18 118.16 122.29 1c7m n LYS 19 Ca -0.18 0.11 0.00 0.00 -0.51 0.00 0.00 58.31 57.73 1c7m n LYS 19 Cb 0.53 -1.53 0.00 0.00 -0.51 0.00 0.00 35.03 33.52 1c7m n LYS 19 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1c7m n LEU 20 N -3.14 0.00 -3.62 -0.35 4.77 -1.26 -4.91 117.00 108.49 1c7m n LEU 20 Ca -0.42 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.15 1c7m n LEU 20 Cb 1.03 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.12 1c7m n LEU 20 CO 0.31 0.00 2.42 -0.67 -1.33 0.00 0.00 177.39 178.11 1c7m n ASP 21 N 2.85 6.61 0.00 -1.43 2.03 -1.26 -4.40 116.55 120.96 1c7m n ASP 21 Ca 0.00 -3.02 0.00 0.00 0.52 0.00 0.00 54.79 52.29 1c7m n ASP 21 Cb 0.00 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 38.94 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 2.64 1.06 0.37 0.27 0.00 -1.26 -4.81 105.19 103.45 1c7m n GLY 22 Ca 0.55 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.63 1c7m n GLY 22 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1c7m h ASN 23 N 0.00 0.91 0.00 1.61 2.35 -1.96 -3.46 115.58 115.03 1c7m h ASN 23 Ca 0.00 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1c7m h ASN 23 Cb 0.00 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.21 1c7m h ASN 23 CO 0.00 0.53 0.00 0.47 -1.65 0.00 0.00 177.43 176.78 1c7m n ASP 24 N -4.55 0.00 0.00 5.81 9.92 -1.26 -4.98 116.55 121.49 1c7m n ASP 24 Ca 0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 1c7m n ASP 24 Cb 0.29 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.77 1c7m n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1c7m n GLY 25 N 0.00 1.17 0.06 0.44 0.00 -1.26 -4.29 105.19 101.31 1c7m n GLY 25 Ca 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 -2.43 1.61 2.07 -1.82 -3.49 116.25 112.20 1c7m h VAL 26 Ca 0.00 -0.92 -0.44 0.00 0.82 0.00 0.00 66.70 66.16 1c7m h VAL 26 Cb 0.00 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 29.80 1c7m h VAL 26 CO 0.00 0.00 -0.10 -0.83 0.02 0.00 0.00 177.57 176.66 1c7m s GLY 27 N -4.04 1.73 1.03 2.17 0.00 -0.80 -5.04 107.32 102.38 1c7m s GLY 27 Ca -0.12 -1.28 -0.12 0.00 0.00 0.00 0.00 44.72 43.19 1c7m s GLY 27 CO 0.18 -1.06 1.08 2.56 0.00 0.00 0.00 173.10 175.86 1c7m s PRO 28 N -4.60 0.17 0.04 2.90 0.04 -1.26 -4.52 135.00 127.78 1c7m s PRO 28 Ca 0.53 0.58 -0.31 0.00 0.04 0.00 0.00 61.00 61.85 1c7m s PRO 28 Cb -0.10 -1.70 -0.07 0.00 0.04 0.00 0.00 34.50 32.67 1c7m s PRO 28 CO 0.37 -2.92 1.49 -3.38 0.04 0.00 0.00 177.00 172.60 1c7m s HIS 29 N -2.87 2.75 -0.38 0.56 -3.43 -1.26 -4.39 115.29 106.28 1c7m s HIS 29 Ca 0.66 0.65 0.05 0.00 -0.80 0.00 0.00 55.06 55.62 1c7m s HIS 29 Cb -0.20 -3.78 0.59 0.00 -1.43 0.00 0.00 32.58 27.77 1c7m s HIS 29 CO 0.59 -2.97 1.75 1.28 -2.00 0.00 0.00 174.74 173.39 1c7m n LEU 30 N 5.24 6.03 -4.57 5.38 4.77 -1.26 -4.89 117.00 127.71 1c7m n LEU 30 Ca 0.14 -3.19 -0.29 0.00 -0.03 0.00 0.00 56.01 52.63 1c7m n LEU 30 Cb 0.42 -0.77 -0.05 0.00 -2.33 0.00 0.00 43.42 40.69 1c7m n LEU 30 CO 0.60 0.91 1.44 0.54 -1.33 0.00 0.00 177.39 179.56 1c7m s ASN 31 N -0.92 5.28 -0.31 -1.43 2.20 -1.26 -1.92 114.94 116.58 1c7m s ASN 31 Ca 0.48 -1.19 -0.01 0.00 -0.94 0.00 0.00 52.86 51.21 1c7m s ASN 31 Cb 0.40 -2.57 -0.01 0.00 -2.00 0.00 0.00 41.25 37.07 1c7m s ASN 31 CO 0.10 -2.70 0.26 0.61 -2.94 0.00 0.00 177.10 172.43 1c7m n GLY 32 N 6.39 0.27 0.18 0.45 0.00 -1.24 -4.99 105.19 106.26 1c7m n GLY 32 Ca 0.42 -0.23 0.04 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.43 1.04 -2.66 1.61 3.04 -1.60 -3.37 116.25 113.88 1c7m h VAL 33 Ca -0.16 -1.52 -0.55 0.00 -1.01 0.00 0.00 66.70 63.45 1c7m h VAL 33 Cb 1.09 1.88 -0.04 0.00 -2.01 0.00 0.00 31.29 32.21 1c7m h VAL 33 CO 0.13 0.40 1.22 -0.69 -1.01 0.00 0.00 177.57 177.62 1c7m s VAL 34 N -3.76 3.59 0.00 1.51 1.01 -1.26 -1.83 120.40 119.66 1c7m s VAL 34 Ca -0.01 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1c7m s VAL 34 Cb 0.12 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1c7m s VAL 34 CO 0.70 -0.72 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1c7m n GLY 35 N 5.39 0.75 3.90 4.51 0.00 0.25 -5.01 105.19 114.98 1c7m n GLY 35 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.51 3.65 0.71 1.61 3.52 -0.76 -4.85 118.95 122.31 1c7m s ARG 36 Ca 0.00 -0.02 -0.16 0.00 -0.13 0.00 0.00 55.73 55.42 1c7m s ARG 36 Cb 0.00 -2.73 -0.01 0.00 -1.56 0.00 0.00 34.95 30.65 1c7m s ARG 36 CO 0.00 0.33 0.81 -2.37 -0.81 0.00 0.00 175.30 173.26 1c7m n THR 37 N -0.45 2.48 -2.56 4.11 5.66 -1.26 -0.30 114.28 121.96 1c7m n THR 37 Ca -0.02 -0.39 -0.42 0.00 -3.05 0.00 0.00 64.05 60.17 1c7m n THR 37 Cb 0.53 -0.97 -0.03 0.00 -1.55 0.00 0.00 70.33 68.31 1c7m n THR 37 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1c7m s VAL 38 N -1.84 4.47 -0.74 1.08 1.01 -0.28 -3.21 120.40 120.89 1c7m s VAL 38 Ca 0.71 1.77 -0.03 0.00 0.00 0.00 0.00 61.98 64.43 1c7m s VAL 38 Cb -0.35 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 1c7m s VAL 38 CO 0.53 0.07 0.67 0.00 0.00 0.00 0.00 175.10 176.36 1c7m n ALA 39 N 4.55 -2.22 -2.46 5.51 0.00 -1.25 -3.65 120.51 121.00 1c7m n ALA 39 Ca 0.09 0.06 -0.19 0.00 0.00 0.00 0.00 53.44 53.40 1c7m n ALA 39 Cb 0.48 -3.16 0.02 0.00 0.00 0.00 0.00 19.45 16.79 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 -1.44 4.63 2.72 0.00 0.00 -1.20 -4.95 105.19 104.94 1c7m n GLY 40 Ca -0.03 -2.23 -0.28 0.00 0.00 0.00 0.00 46.02 43.48 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 -4.60 0.54 -0.64 1.61 1.01 -1.26 -4.91 120.40 112.16 1c7m s VAL 41 Ca 0.42 -0.76 -0.27 0.00 0.00 0.00 0.00 61.98 61.37 1c7m s VAL 41 Cb 0.41 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 1c7m s VAL 41 CO -0.07 -0.36 1.68 -1.81 0.00 0.00 0.00 175.10 174.54 1c7m s ASP 42 N 1.83 5.57 0.00 3.32 1.11 -1.26 -2.47 116.67 124.77 1c7m s ASP 42 Ca 0.02 0.14 0.00 0.00 0.18 0.00 0.00 52.55 52.89 1c7m s ASP 42 Cb -0.17 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.28 1c7m s ASP 42 CO -0.14 -2.18 0.00 0.61 1.18 0.00 0.00 175.17 174.63 1c7m n GLY 43 N 5.58 3.86 3.75 0.21 0.00 -1.26 -5.15 105.19 112.18 1c7m n GLY 43 Ca 0.15 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 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 3.75 -0.73 1.61 5.36 -1.03 -5.02 117.98 121.91 1c7m s PHE 44 Ca 0.00 1.78 -0.26 0.00 -0.96 0.00 0.00 56.93 57.50 1c7m s PHE 44 Cb 0.00 -3.16 0.04 0.00 -0.34 0.00 0.00 43.02 39.57 1c7m s PHE 44 CO 0.00 -0.13 1.20 1.21 -1.46 0.00 0.00 175.22 176.04 1c7m s ASN 45 N -0.91 6.19 0.46 6.13 3.84 -1.26 -4.96 114.94 124.43 1c7m s ASN 45 Ca 0.44 -0.66 -0.06 0.00 0.21 0.00 0.00 52.86 52.78 1c7m s ASN 45 Cb -0.29 -2.52 -0.04 0.00 -0.55 0.00 0.00 41.25 37.85 1c7m s ASN 45 CO 0.37 -1.71 0.78 -0.31 -2.79 0.00 0.00 177.10 173.44 1c7m s TYR 46 N 5.22 3.55 0.65 0.43 2.02 -1.26 -5.10 117.35 122.86 1c7m s TYR 46 Ca 0.32 0.86 -0.14 0.00 -0.37 0.00 0.00 57.07 57.74 1c7m s TYR 46 Cb -0.10 -2.33 -0.01 0.00 -0.40 0.00 0.00 41.96 39.13 1c7m s TYR 46 CO 0.12 -0.24 1.08 -1.54 -1.57 0.00 0.00 175.55 173.40 1c7m s SER 47 N -3.91 5.37 0.13 2.29 1.04 -1.26 -4.91 113.70 112.45 1c7m s SER 47 Ca 0.48 1.83 -0.22 0.00 0.48 0.00 0.00 55.95 58.53 1c7m s SER 47 Cb -0.10 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.46 1c7m s SER 47 CO 0.42 -1.45 1.67 -0.78 0.98 0.00 0.00 173.24 174.08 1c7m h ASP 48 N -0.07 -0.42 0.60 7.02 1.82 -1.99 -1.95 116.42 121.43 1c7m h ASP 48 Ca -0.46 0.08 -0.05 0.00 -0.39 0.00 0.00 57.03 56.22 1c7m h ASP 48 Cb 1.23 0.21 -0.01 0.00 0.68 0.00 0.00 39.33 41.44 1c7m h ASP 48 CO 0.56 -0.18 -0.22 1.55 -1.61 0.00 0.00 179.24 179.34 1c7m h PRO 49 N -0.16 0.00 -0.04 0.28 0.13 -1.86 -0.34 132.00 130.01 1c7m h PRO 49 Ca 0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1c7m h PRO 49 Cb 0.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.42 1c7m h PRO 49 CO -0.23 0.22 0.01 1.98 -0.23 0.00 0.00 178.00 179.74 1c7m h MET 50 N 0.00 0.07 -0.44 0.86 4.05 -1.87 -2.35 114.93 115.25 1c7m h MET 50 Ca -0.00 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1c7m h MET 50 Cb 0.58 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 1c7m h MET 50 CO 0.03 0.31 0.27 0.87 0.23 0.00 0.00 176.91 178.62 1c7m h LYS 51 N -0.17 0.60 0.00 0.39 1.79 -1.29 -3.18 116.57 114.71 1c7m h LYS 51 Ca 0.01 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1c7m h LYS 51 Cb 0.27 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1c7m h LYS 51 CO 0.00 0.43 -0.04 0.00 -1.08 0.00 0.00 179.45 178.76 1c7m h ALA 52 N 1.13 1.11 0.58 3.86 0.00 -1.14 -3.26 119.26 121.54 1c7m h ALA 52 Ca 0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1c7m h ALA 52 Cb -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1c7m h ALA 52 CO -0.03 0.05 -0.28 1.25 0.00 0.00 0.00 179.25 180.24 1c7m h HIS 53 N 0.00 -0.73 0.00 0.00 -0.00 -1.40 -3.49 115.15 109.54 1c7m h HIS 53 Ca -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1c7m h HIS 53 Cb 0.26 0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 1c7m h HIS 53 CO 0.00 -0.45 0.00 0.41 -0.00 0.00 0.00 177.93 177.89 1c7m n GLY 54 N -0.60 2.53 7.00 5.26 0.00 -1.23 -4.93 105.19 113.21 1c7m n GLY 54 Ca -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 4.13 3.37 -0.02 0.00 -1.26 -1.13 105.19 110.28 1c7m n GLY 55 Ca 0.00 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.40 -1.09 1.61 1.01 -1.26 -4.15 116.67 108.40 1c7m s ASP 56 Ca 0.00 0.27 -0.21 0.00 0.71 0.00 0.00 52.55 53.32 1c7m s ASP 56 Cb 0.00 0.44 0.07 0.00 1.01 0.00 0.00 42.92 44.43 1c7m s ASP 56 CO 0.00 -0.59 1.49 0.26 0.21 0.00 0.00 175.17 176.54 1c7m s TRP 57 N -1.73 2.67 0.68 4.23 0.23 0.59 -4.79 118.94 120.82 1c7m s TRP 57 Ca -0.10 -1.12 -0.13 0.00 -2.03 0.00 0.00 56.10 52.73 1c7m s TRP 57 Cb -0.02 -4.67 0.01 0.00 0.03 0.00 0.00 33.47 28.82 1c7m s TRP 57 CO 0.04 -1.85 1.07 0.95 0.96 0.00 0.00 176.95 178.12 1c7m s THR 58 N 4.49 3.68 -0.46 2.01 -4.23 -1.26 -0.58 115.64 119.28 1c7m s THR 58 Ca 0.47 0.64 -0.05 0.00 -1.18 0.00 0.00 61.69 61.57 1c7m s THR 58 Cb 0.00 -3.23 -0.11 0.00 1.34 0.00 0.00 72.50 70.51 1c7m s THR 58 CO -0.05 -0.62 2.23 -0.81 -0.54 0.00 0.00 174.62 174.83 1c7m n PRO 59 N -2.85 1.64 0.13 3.99 -0.04 -1.26 -1.94 135.00 134.68 1c7m n PRO 59 Ca 0.09 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 1c7m n PRO 59 Cb 0.53 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 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 3.42 0.00 -0.14 0.54 2.13 -1.26 -4.74 120.64 120.59 1c7m n GLU 60 Ca 0.35 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 58.13 1c7m n GLU 60 Cb 0.34 0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.09 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 0.54 -0.78 4.31 0.00 -1.91 -2.82 119.26 118.61 1c7m h ALA 61 Ca 0.00 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1c7m h ALA 61 Cb 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1c7m h ALA 61 CO 0.00 -0.21 0.51 -0.07 0.00 0.00 0.00 179.25 179.48 1c7m h LEU 62 N 0.35 0.72 -1.54 0.00 3.38 -1.71 -1.72 115.31 114.79 1c7m h LEU 62 Ca 0.21 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1c7m h LEU 62 Cb 0.18 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1c7m h LEU 62 CO -0.20 0.46 0.26 1.56 0.09 0.00 0.00 178.44 180.62 1c7m h GLN 63 N 0.82 0.57 0.02 1.13 1.08 -1.74 0.18 115.11 117.16 1c7m h GLN 63 Ca 0.34 -0.04 -0.34 0.00 -1.45 0.00 0.00 58.65 57.16 1c7m h GLN 63 Cb 0.27 -0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 27.52 1c7m h GLN 63 CO -0.12 0.39 -2.08 0.39 -0.95 0.00 0.00 178.83 176.47 1c7m n GLU 64 N -4.45 0.67 -0.29 1.46 -0.58 -1.20 -4.10 120.64 112.15 1c7m n GLU 64 Ca 0.03 0.17 -0.01 0.00 -0.42 0.00 0.00 57.16 56.93 1c7m n GLU 64 Cb 0.07 -1.66 0.11 0.00 -0.57 0.00 0.00 31.44 29.40 1c7m n GLU 64 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1c7m h PHE 65 N 0.01 0.93 0.00 -0.32 3.57 -1.29 0.11 116.94 119.94 1c7m h PHE 65 Ca -0.43 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1c7m h PHE 65 Cb 2.08 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 40.52 1c7m h PHE 65 CO 0.01 0.51 0.00 1.28 -2.23 0.00 0.00 178.31 177.88 1c7m n LEU 66 N -4.63 0.22 -0.10 0.59 4.77 0.62 -1.71 117.00 116.76 1c7m n LEU 66 Ca 0.10 0.57 -0.13 0.00 -0.03 0.00 0.00 56.01 56.51 1c7m n LEU 66 Cb 0.12 -0.55 -0.11 0.00 -2.33 0.00 0.00 43.42 40.55 1c7m n LEU 66 CO 0.32 -0.44 -1.17 0.41 -1.33 0.00 0.00 177.39 175.18 1c7m n THR 67 N -1.75 1.24 -3.62 -5.08 -1.04 -1.07 -0.38 114.28 102.57 1c7m n THR 67 Ca 0.02 -0.55 -0.28 0.00 -2.04 0.00 0.00 64.05 61.20 1c7m n THR 67 Cb 0.14 -1.07 -0.11 0.00 -1.82 0.00 0.00 70.33 67.46 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 -5.85 3.03 0.23 8.00 0.02 0.00 -4.09 114.94 116.29 1c7m s ASN 68 Ca -0.24 -3.19 -0.06 0.00 -1.02 0.00 0.00 52.86 48.35 1c7m s ASN 68 Cb 0.07 -0.94 0.38 0.00 0.02 0.00 0.00 41.25 40.78 1c7m s ASN 68 CO 0.56 -0.17 1.74 -0.65 0.02 0.00 0.00 177.10 178.61 1c7m h PRO 69 N 5.85 0.45 0.00 -0.60 0.11 -1.54 -2.22 132.00 134.04 1c7m h PRO 69 Ca 0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1c7m h PRO 69 Cb 0.87 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1c7m h PRO 69 CO 0.50 0.30 0.00 0.87 -0.21 0.00 0.00 178.00 179.45 1c7m h LYS 70 N 0.46 0.00 -0.07 1.05 1.57 -1.88 -0.72 116.57 116.98 1c7m h LYS 70 Ca 0.37 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 59.00 1c7m h LYS 70 Cb 0.50 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.81 1c7m h LYS 70 CO -0.35 0.00 -0.51 0.00 -0.57 0.00 0.00 179.45 178.02 1c7m h ALA 71 N 2.21 0.16 0.00 3.86 0.00 -1.78 -3.22 119.26 120.49 1c7m h ALA 71 Ca 0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1c7m h ALA 71 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1c7m h ALA 71 CO 0.00 0.35 -0.00 0.28 0.00 0.00 0.00 179.25 179.88 1c7m h VAL 72 N 0.03 1.64 -3.60 0.00 2.07 -1.54 -3.41 116.25 111.43 1c7m h VAL 72 Ca -0.04 -2.21 -0.73 0.00 0.82 0.00 0.00 66.70 64.54 1c7m h VAL 72 Cb 1.18 3.08 -0.32 0.00 -1.52 0.00 0.00 31.29 33.71 1c7m h VAL 72 CO 0.10 0.55 -0.23 -0.69 0.02 0.00 0.00 177.57 177.32 1c7m s VAL 73 N -2.20 4.32 -0.36 2.57 1.01 -0.28 -5.07 120.40 120.39 1c7m s VAL 73 Ca -0.17 -2.70 -0.28 0.00 0.00 0.00 0.00 61.98 58.83 1c7m s VAL 73 Cb -0.03 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1c7m s VAL 73 CO 0.63 -0.91 1.69 -1.59 0.00 0.00 0.00 175.10 174.92 1c7m s LYS 74 N 0.15 3.38 0.00 2.72 0.00 -1.22 -2.50 119.74 122.28 1c7m s LYS 74 Ca 0.16 1.26 0.00 0.00 0.00 0.00 0.00 55.97 57.39 1c7m s LYS 74 Cb -0.18 -4.15 0.00 0.00 0.00 0.00 0.00 37.83 33.50 1c7m s LYS 74 CO -0.05 -1.80 0.00 0.41 0.00 0.00 0.00 175.35 173.91 1c7m n GLY 75 N 5.34 0.93 3.77 0.59 0.00 -1.26 -4.77 105.19 109.78 1c7m n GLY 75 Ca 0.21 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.68 3.27 -2.00 2.61 -1.32 -1.04 -4.68 115.64 109.80 1c7m s THR 76 Ca 0.00 1.14 0.05 0.00 -1.21 0.00 0.00 61.69 61.67 1c7m s THR 76 Cb 0.00 -3.67 0.14 0.00 -1.51 0.00 0.00 72.50 67.46 1c7m s THR 76 CO 0.00 0.16 0.86 0.29 -2.21 0.00 0.00 174.62 173.72 1c7m n LYS 77 N 0.45 0.62 -2.60 7.08 5.02 -1.26 -4.74 118.16 122.73 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 0.46 -1.12 -0.03 0.00 -0.02 0.00 0.00 35.03 34.32 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 -2.00 3.44 -1.42 1.97 1.75 -1.26 -4.96 119.30 116.82 1c7m s MET 78 Ca 0.07 0.12 -0.15 0.00 -1.25 0.00 0.00 55.69 54.48 1c7m s MET 78 Cb 0.03 -4.05 0.04 0.00 2.84 0.00 0.00 34.83 33.70 1c7m s MET 78 CO 0.06 -1.75 2.15 0.00 -0.65 0.00 0.00 175.02 174.83 1c7m n ALA 79 N 8.52 5.21 -3.69 4.11 0.00 -1.26 -4.90 120.51 128.50 1c7m n ALA 79 Ca 0.07 -3.86 -0.18 0.00 0.00 0.00 0.00 53.44 49.47 1c7m n ALA 79 Cb 0.49 -3.55 -0.16 0.00 0.00 0.00 0.00 19.45 16.22 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 3.42 0.43 0.16 0.00 5.36 -1.26 -5.07 117.98 121.01 1c7m s PHE 80 Ca 0.48 -0.05 0.03 0.00 -0.96 0.00 0.00 56.93 56.43 1c7m s PHE 80 Cb 0.13 -0.48 -0.04 0.00 -0.34 0.00 0.00 43.02 42.28 1c7m s PHE 80 CO -0.06 -0.15 1.36 0.00 -1.46 0.00 0.00 175.22 174.91 1c7m h ALA 81 N 7.27 0.49 0.00 11.12 0.00 -1.94 -3.43 119.26 132.77 1c7m h ALA 81 Ca -0.40 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 53.75 1c7m h ALA 81 Cb 1.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1c7m h ALA 81 CO 0.46 0.96 0.00 0.41 0.00 0.00 0.00 179.25 181.08 1c7m n GLY 82 N 0.96 4.21 3.75 0.00 0.00 -1.26 -4.67 105.19 108.18 1c7m n GLY 82 Ca -0.03 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.23 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 4.54 -0.14 0.99 1.43 0.49 -4.92 118.68 121.07 1c7m s LEU 83 Ca 0.00 1.65 -0.19 0.00 -1.03 0.00 0.00 54.13 54.56 1c7m s LEU 83 Cb 0.00 -3.37 -0.16 0.00 0.03 0.00 0.00 46.19 42.68 1c7m s LEU 83 CO 0.00 0.09 0.43 1.55 0.23 0.00 0.00 176.35 178.64 1c7m h PRO 84 N 4.96 0.00 -6.67 1.29 0.13 -1.94 -3.40 132.00 126.37 1c7m h PRO 84 Ca -0.45 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.18 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 0.66 0.10 0.15 -0.23 0.00 0.00 178.00 179.37 1c7m s LYS 85 N -2.05 4.08 0.38 0.86 -0.14 -1.26 -5.00 119.74 116.61 1c7m s LYS 85 Ca -0.15 0.73 0.07 0.00 -1.36 0.00 0.00 55.97 55.26 1c7m s LYS 85 Cb -0.01 -2.59 0.80 0.00 -1.68 0.00 0.00 37.83 34.36 1c7m s LYS 85 CO 0.46 0.24 2.00 0.97 -0.76 0.00 0.00 175.35 178.26 1c7m h ILE 86 N 2.23 1.05 -0.77 2.17 6.09 -1.97 -2.37 117.51 123.93 1c7m h ILE 86 Ca -0.48 -0.23 0.07 0.00 -1.37 0.00 0.00 64.86 62.86 1c7m h ILE 86 Cb 1.18 0.33 -0.05 0.00 0.47 0.00 0.00 36.82 38.75 1c7m h ILE 86 CO 0.65 0.12 0.51 -0.33 -3.07 0.00 0.00 178.15 176.03 1c7m h GLU 87 N 0.66 0.77 0.54 2.19 3.07 -1.95 -1.40 114.58 118.46 1c7m h GLU 87 Ca 0.25 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 59.04 1c7m h GLU 87 Cb 0.15 -0.17 0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1c7m h GLU 87 CO -0.07 0.51 -0.26 -0.44 -1.40 0.00 0.00 179.01 177.35 1c7m h ASP 88 N 0.80 -0.61 -0.34 1.42 3.32 -1.82 -0.82 116.42 118.37 1c7m h ASP 88 Ca 0.34 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.33 1c7m h ASP 88 Cb 0.29 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1c7m h ASP 88 CO -0.12 -0.37 0.05 0.08 -1.72 0.00 0.00 179.24 177.16 1c7m h ARG 89 N -0.81 0.57 -0.65 3.56 -0.00 -1.62 -2.46 114.38 112.96 1c7m h ARG 89 Ca -0.07 -0.15 0.05 0.00 -0.00 0.00 0.00 59.98 59.80 1c7m h ARG 89 Cb 0.59 -0.06 -0.05 0.00 -0.00 0.00 0.00 29.97 30.45 1c7m h ARG 89 CO 0.12 0.65 0.38 0.00 -0.00 0.00 0.00 179.97 181.12 1c7m h ALA 90 N 0.89 0.87 -0.47 0.08 0.00 -1.32 0.23 119.26 119.55 1c7m h ALA 90 Ca 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1c7m h ALA 90 Cb 0.36 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1c7m h ALA 90 CO 0.01 0.08 0.23 -0.91 0.00 0.00 0.00 179.25 178.66 1c7m h ASN 91 N 0.71 0.62 -0.34 0.00 2.35 -1.22 -1.41 115.58 116.28 1c7m h ASN 91 Ca 0.28 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1c7m h ASN 91 Cb 0.13 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1c7m h ASN 91 CO -0.16 0.57 0.22 0.25 -1.65 0.00 0.00 177.43 176.66 1c7m h LEU 92 N 0.62 0.40 -0.49 1.61 6.46 -1.33 -1.48 115.31 121.10 1c7m h LEU 92 Ca 0.16 -0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.95 1c7m h LEU 92 Cb 0.11 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 39.89 1c7m h LEU 92 CO -0.02 0.32 0.20 0.40 -0.62 0.00 0.00 178.44 178.72 1c7m h ILE 93 N 0.45 0.88 -0.83 4.05 2.04 -0.94 -1.53 117.51 121.64 1c7m h ILE 93 Ca 0.12 -0.14 0.10 0.00 1.00 0.00 0.00 64.86 65.94 1c7m h ILE 93 Cb -0.02 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 36.43 1c7m h ILE 93 CO -0.03 0.07 0.47 0.00 0.00 0.00 0.00 178.15 178.67 1c7m h ALA 94 N 1.30 1.18 0.30 1.87 0.00 -1.23 -2.26 119.26 120.42 1c7m h ALA 94 Ca 0.23 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1c7m h ALA 94 Cb 0.20 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1c7m h ALA 94 CO -0.20 0.10 -0.21 -0.92 0.00 0.00 0.00 179.25 178.02 1c7m h TYR 95 N 0.79 -0.55 -0.01 0.00 3.20 -0.86 -3.31 116.97 116.22 1c7m h TYR 95 Ca 0.40 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.27 1c7m h TYR 95 Cb 0.37 0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1c7m h TYR 95 CO -0.06 -0.30 0.00 1.47 -1.64 0.00 0.00 178.16 177.63 1c7m n LEU 96 N -3.56 0.07 0.27 2.82 -0.00 -0.61 -0.24 117.00 115.75 1c7m n LEU 96 Ca -0.06 -0.03 -0.15 0.00 -0.00 0.00 0.00 56.01 55.77 1c7m n LEU 96 Cb 0.20 -0.01 -0.08 0.00 -0.00 0.00 0.00 43.42 43.54 1c7m n LEU 96 CO 0.13 0.02 0.60 -0.33 -0.00 0.00 0.00 177.39 177.81 1c7m h GLU 97 N 0.09 -0.64 0.15 1.47 5.08 -1.53 -3.29 114.58 115.92 1c7m h GLU 97 Ca 0.00 0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.17 1c7m h GLU 97 Cb 0.02 0.14 0.02 0.00 0.50 0.00 0.00 28.75 29.43 1c7m h GLU 97 CO 0.00 -0.36 -1.06 0.78 -1.00 0.00 0.00 179.01 177.37 1c7m h GLY 98 N -0.82 0.35 -7.22 -3.84 0.00 -1.48 -3.45 103.07 86.61 1c7m h GLY 98 Ca -0.07 -0.90 -0.63 0.00 0.00 0.00 0.00 47.33 45.74 1c7m h GLY 98 CO 0.11 0.79 0.53 1.62 0.00 0.00 0.00 176.54 179.59 1c7m s GLN 99 N -2.46 3.16 0.00 4.80 2.00 0.67 -5.07 119.66 122.75 1c7m s GLN 99 Ca -0.15 -0.71 0.00 0.00 -2.00 0.00 0.00 55.36 52.50 1c7m s GLN 99 Cb 0.02 -4.19 0.00 0.00 0.80 0.00 0.00 33.01 29.65 1c7m s GLN 99 CO 0.82 -1.73 0.00 0.00 -0.50 0.00 0.00 175.29 173.88