#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 4.55 -2.98 3.04 0.00 -1.26 -2.19 120.51 121.67 1c7m n ALA 2 Ca 0.00 -4.75 -0.41 0.00 0.00 0.00 0.00 53.44 48.28 1c7m n ALA 2 Cb 0.00 -1.82 -0.10 0.00 0.00 0.00 0.00 19.45 17.53 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 -1.50 5.75 0.37 0.00 -1.08 -1.26 -4.94 116.67 114.01 1c7m s ASP 3 Ca 0.33 -1.21 0.17 0.00 -0.52 0.00 0.00 52.55 51.32 1c7m s ASP 3 Cb 0.05 -2.03 0.72 0.00 -1.46 0.00 0.00 42.92 40.20 1c7m s ASP 3 CO 0.02 -0.47 1.78 1.55 0.52 0.00 0.00 175.17 178.57 1c7m h PRO 4 N 8.47 0.00 -0.26 4.34 0.13 -1.85 -1.67 132.00 141.15 1c7m h PRO 4 Ca -0.25 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.81 1c7m h PRO 4 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1c7m h PRO 4 CO 0.72 0.39 -0.15 0.00 -0.23 0.00 0.00 178.00 178.73 1c7m h ALA 5 N 1.61 1.26 -0.14 -0.56 0.00 -1.94 -2.05 119.26 117.44 1c7m h ALA 5 Ca -0.00 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 1c7m h ALA 5 Cb 0.80 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1c7m h ALA 5 CO 0.05 0.49 -0.54 0.00 0.00 0.00 0.00 179.25 179.25 1c7m h ALA 6 N 1.43 0.80 0.00 0.00 0.00 -1.91 -3.36 119.26 116.22 1c7m h ALA 6 Ca 0.08 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1c7m h ALA 6 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1c7m h ALA 6 CO 0.03 0.69 -0.27 0.78 0.00 0.00 0.00 179.25 180.48 1c7m h GLY 7 N 1.22 0.00 1.40 0.00 0.00 -1.02 -2.17 103.07 102.49 1c7m h GLY 7 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1c7m h GLY 7 CO 0.09 0.00 0.24 1.05 0.00 0.00 0.00 176.54 177.92 1c7m h GLU 8 N 0.00 0.78 -0.18 4.80 4.11 -1.54 -0.09 114.58 122.46 1c7m h GLU 8 Ca -0.00 -0.11 -0.04 0.00 0.07 0.00 0.00 59.36 59.28 1c7m h GLU 8 Cb 0.49 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1c7m h GLU 8 CO 0.04 0.63 -0.03 0.87 0.07 0.00 0.00 179.01 180.58 1c7m h LYS 9 N 0.78 0.34 -0.77 1.06 1.79 -1.61 -2.63 116.57 115.54 1c7m h LYS 9 Ca 0.19 -0.13 -0.03 0.00 -2.18 0.00 0.00 60.65 58.50 1c7m h LYS 9 Cb 0.12 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.71 1c7m h LYS 9 CO -0.02 0.59 0.35 0.28 -1.08 0.00 0.00 179.45 179.57 1c7m h VAL 10 N 0.06 1.25 -0.08 0.50 2.07 -1.44 -2.31 116.25 116.31 1c7m h VAL 10 Ca 0.05 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.87 1c7m h VAL 10 Cb 0.46 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1c7m h VAL 10 CO 0.02 0.30 0.16 0.15 0.02 0.00 0.00 177.57 178.22 1c7m h PHE 11 N 1.10 0.00 -0.93 1.57 3.57 -1.02 -2.47 116.94 118.76 1c7m h PHE 11 Ca 0.26 0.00 0.25 0.00 3.53 0.00 0.00 57.97 62.02 1c7m h PHE 11 Cb 0.14 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 1c7m h PHE 11 CO 0.01 0.00 0.65 0.78 -2.23 0.00 0.00 178.31 177.53 1c7m h GLY 12 N 0.00 0.32 1.11 2.40 0.00 -1.02 -0.36 103.07 105.53 1c7m h GLY 12 Ca 0.04 -0.06 -0.11 0.00 0.00 0.00 0.00 47.33 47.19 1c7m h GLY 12 CO -0.00 -0.02 -0.08 0.50 0.00 0.00 0.00 176.54 176.94 1c7m h LYS 13 N 0.13 1.04 0.00 4.80 1.57 -1.59 -3.36 116.57 119.17 1c7m h LYS 13 Ca 0.46 -0.37 -0.23 0.00 -1.87 0.00 0.00 60.65 58.64 1c7m h LYS 13 Cb 1.61 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.85 1c7m h LYS 13 CO -0.07 1.06 -0.96 0.00 -0.57 0.00 0.00 179.45 178.91 1c7m n LYS 15 N -3.75 0.07 -0.22 0.00 2.85 -0.24 -1.44 118.16 115.43 1c7m n LYS 15 Ca -0.07 0.26 0.00 0.00 -1.05 0.00 0.00 58.31 57.45 1c7m n LYS 15 Cb 0.84 -1.50 0.24 0.00 -0.65 0.00 0.00 35.03 33.96 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 2.41 1.44 0.00 0.58 0.00 -1.79 -3.38 119.26 118.51 1c7m h ALA 16 Ca 0.00 -0.06 -0.43 0.00 0.00 0.00 0.00 54.91 54.41 1c7m h ALA 16 Cb 0.14 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 17.56 1c7m h ALA 16 CO 0.00 0.51 -2.51 0.00 0.00 0.00 0.00 179.25 177.24 1c7m s HIS 18 N -2.51 3.43 -0.18 0.00 3.76 -0.52 -1.33 115.29 117.93 1c7m s HIS 18 Ca -0.37 0.34 0.15 0.00 -0.15 0.00 0.00 55.06 55.03 1c7m s HIS 18 Cb 0.12 -2.06 -0.21 0.00 1.11 0.00 0.00 32.58 31.54 1c7m s HIS 18 CO 0.54 0.41 0.04 1.63 -0.85 0.00 0.00 174.74 176.51 1c7m n LYS 19 N 3.01 1.10 0.00 1.40 4.76 -1.26 -4.24 118.16 122.92 1c7m n LYS 19 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 1c7m n LYS 19 Cb 0.53 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 1c7m n LYS 19 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1c7m n LEU 20 N -2.68 0.00 -3.32 -0.35 4.77 -1.26 -4.86 117.00 109.29 1c7m n LEU 20 Ca -0.29 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.31 1c7m n LEU 20 Cb 1.06 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.14 1c7m n LEU 20 CO 0.36 0.00 2.23 0.47 -1.33 0.00 0.00 177.39 179.12 1c7m n ASP 21 N 1.61 7.76 0.00 -1.43 9.92 -1.26 -4.45 116.55 128.70 1c7m n ASP 21 Ca 0.00 -3.18 0.00 0.00 -0.53 0.00 0.00 54.79 51.08 1c7m n ASP 21 Cb 0.00 -1.33 0.00 0.00 -0.64 0.00 0.00 41.12 39.15 1c7m n ASP 21 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1c7m n GLY 22 N 1.50 0.06 3.42 0.44 0.00 -1.26 -4.99 105.19 104.36 1c7m n GLY 22 Ca 0.60 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.41 1c7m n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1c7m s ASN 23 N -2.03 2.62 0.00 1.61 0.01 -1.26 -5.00 114.94 110.89 1c7m s ASN 23 Ca 0.00 -1.20 0.00 0.00 -0.71 0.00 0.00 52.86 50.95 1c7m s ASN 23 Cb 0.00 -0.14 0.00 0.00 0.41 0.00 0.00 41.25 41.52 1c7m s ASN 23 CO 0.00 -0.38 0.00 0.47 -1.51 0.00 0.00 177.10 175.68 1c7m n ASP 24 N -0.56 0.00 0.00 -1.22 8.00 -1.26 -3.35 116.55 118.16 1c7m n ASP 24 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1c7m n ASP 24 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 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 4.05 1.60 0.04 0.44 0.00 -1.26 -3.87 105.19 106.19 1c7m n GLY 25 Ca 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 1c7m n GLY 25 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1c7m n VAL 26 N 0.00 0.75 -3.55 1.61 0.31 -1.24 -5.03 118.33 111.18 1c7m n VAL 26 Ca 0.00 0.33 -0.38 0.00 -0.01 0.00 0.00 64.34 64.28 1c7m n VAL 26 Cb 0.00 -1.93 -0.06 0.00 -0.91 0.00 0.00 33.84 30.94 1c7m n VAL 26 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1c7m s GLY 27 N -3.87 2.40 0.54 2.92 0.00 -0.44 -5.00 107.32 103.86 1c7m s GLY 27 Ca -0.13 -0.30 -0.20 0.00 0.00 0.00 0.00 44.72 44.08 1c7m s GLY 27 CO 0.20 0.12 1.16 2.56 0.00 0.00 0.00 173.10 177.15 1c7m s PRO 28 N -0.83 3.33 -0.08 2.90 0.04 -1.26 -4.25 135.00 134.85 1c7m s PRO 28 Ca 0.22 1.72 -0.36 0.00 0.04 0.00 0.00 61.00 62.61 1c7m s PRO 28 Cb -0.16 -2.07 -0.14 0.00 0.04 0.00 0.00 34.50 32.18 1c7m s PRO 28 CO 0.11 -0.89 1.71 -2.39 0.04 0.00 0.00 177.00 175.58 1c7m n HIS 29 N -1.21 2.13 -0.19 0.56 1.44 -1.21 -4.68 115.22 112.05 1c7m n HIS 29 Ca 0.11 0.29 0.05 0.00 -2.01 0.00 0.00 57.72 56.16 1c7m n HIS 29 Cb 0.50 -2.54 0.27 0.00 0.12 0.00 0.00 29.99 28.34 1c7m n HIS 29 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1c7m n LEU 30 N 5.15 4.00 -4.57 2.39 4.77 -1.26 -4.86 117.00 122.62 1c7m n LEU 30 Ca 0.22 -2.03 -0.40 0.00 -0.03 0.00 0.00 56.01 53.77 1c7m n LEU 30 Cb 0.23 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 1c7m n LEU 30 CO 0.72 0.52 1.93 -0.46 -1.33 0.00 0.00 177.39 178.78 1c7m n ASN 31 N 0.49 2.76 -2.34 -1.43 0.23 -1.26 -2.22 115.26 111.49 1c7m n ASN 31 Ca 0.18 -0.10 -0.16 0.00 -0.53 0.00 0.00 54.58 53.98 1c7m n ASN 31 Cb 0.83 -1.55 0.04 0.00 -2.08 0.00 0.00 39.78 37.02 1c7m n ASN 31 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1c7m n GLY 32 N 5.93 -0.12 0.22 4.83 0.00 -0.71 -4.86 105.19 110.48 1c7m n GLY 32 Ca 0.34 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.32 0.81 -2.67 1.61 3.04 -1.60 -3.37 116.25 112.74 1c7m h VAL 33 Ca -0.38 -1.02 -0.55 0.00 -1.01 0.00 0.00 66.70 63.74 1c7m h VAL 33 Cb 1.25 1.62 -0.04 0.00 -2.01 0.00 0.00 31.29 32.11 1c7m h VAL 33 CO 0.39 0.25 1.21 -0.69 -1.01 0.00 0.00 177.57 177.72 1c7m s VAL 34 N -3.98 3.60 0.00 1.51 1.01 -1.26 -2.03 120.40 119.25 1c7m s VAL 34 Ca -0.02 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1c7m s VAL 34 Cb 0.12 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1c7m s VAL 34 CO 0.65 -0.76 0.00 0.61 0.00 0.00 0.00 175.10 175.60 1c7m n GLY 35 N 5.38 0.77 3.34 4.51 0.00 0.31 -4.89 105.19 114.59 1c7m n GLY 35 Ca 0.19 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.56 1.26 0.67 1.61 3.52 -0.86 -4.88 118.95 117.70 1c7m s ARG 36 Ca 0.00 -1.26 -0.18 0.00 -0.13 0.00 0.00 55.73 54.17 1c7m s ARG 36 Cb 0.00 -1.63 -0.00 0.00 -1.56 0.00 0.00 34.95 31.76 1c7m s ARG 36 CO 0.00 0.38 1.28 -2.37 -0.81 0.00 0.00 175.30 173.79 1c7m n THR 37 N 0.99 4.67 -2.59 4.11 5.66 -1.26 -0.65 114.28 125.21 1c7m n THR 37 Ca -0.19 -0.47 -0.43 0.00 -3.05 0.00 0.00 64.05 59.91 1c7m n THR 37 Cb 0.53 -1.46 -0.02 0.00 -1.55 0.00 0.00 70.33 67.83 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 -1.46 4.41 -0.31 1.08 1.01 -0.50 -2.37 120.40 122.26 1c7m s VAL 38 Ca 0.82 1.62 -0.01 0.00 0.00 0.00 0.00 61.98 64.40 1c7m s VAL 38 Cb -0.37 -4.37 -0.02 0.00 0.00 0.00 0.00 36.38 31.62 1c7m s VAL 38 CO 0.41 -0.50 0.28 0.00 0.00 0.00 0.00 175.10 175.29 1c7m n ALA 39 N 7.06 -1.34 -2.62 5.51 0.00 -1.26 -3.03 120.51 124.84 1c7m n ALA 39 Ca 0.13 0.03 -0.25 0.00 0.00 0.00 0.00 53.44 53.35 1c7m n ALA 39 Cb 0.47 -1.73 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.37 5.41 2.67 0.00 0.00 -1.00 -4.94 105.19 105.97 1c7m n GLY 40 Ca -0.02 -2.60 -0.23 0.00 0.00 0.00 0.00 46.02 43.18 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 -4.97 -0.20 -0.64 1.61 1.01 -1.26 -4.90 120.40 111.05 1c7m s VAL 41 Ca 0.46 -0.22 -0.27 0.00 0.00 0.00 0.00 61.98 61.95 1c7m s VAL 41 Cb 0.38 -0.68 -0.00 0.00 0.00 0.00 0.00 36.38 36.08 1c7m s VAL 41 CO -0.15 -0.31 1.62 -1.81 0.00 0.00 0.00 175.10 174.45 1c7m s ASP 42 N 2.22 5.68 0.00 3.32 1.01 -1.26 -2.90 116.67 124.74 1c7m s ASP 42 Ca 0.05 0.10 0.00 0.00 0.71 0.00 0.00 52.55 53.41 1c7m s ASP 42 Cb -0.16 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.23 1c7m s ASP 42 CO -0.14 -2.11 0.00 0.61 0.21 0.00 0.00 175.17 173.74 1c7m n GLY 43 N 5.54 3.49 3.76 0.21 0.00 -1.26 -5.15 105.19 111.78 1c7m n GLY 43 Ca 0.14 -0.52 -0.39 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 3.85 -0.98 1.61 5.36 -1.14 -5.01 117.98 121.66 1c7m s PHE 44 Ca 0.00 1.86 -0.24 0.00 -0.96 0.00 0.00 56.93 57.59 1c7m s PHE 44 Cb 0.00 -2.97 0.04 0.00 -0.34 0.00 0.00 43.02 39.75 1c7m s PHE 44 CO 0.00 0.31 1.50 1.21 -1.46 0.00 0.00 175.22 176.78 1c7m s ASN 45 N -1.35 6.29 0.65 6.13 2.47 -1.26 -4.98 114.94 122.89 1c7m s ASN 45 Ca 0.45 -1.25 -0.12 0.00 0.42 0.00 0.00 52.86 52.36 1c7m s ASN 45 Cb -0.23 -2.57 -0.02 0.00 -1.45 0.00 0.00 41.25 36.99 1c7m s ASN 45 CO 0.29 -1.70 1.05 -0.31 -3.72 0.00 0.00 177.10 172.71 1c7m s TYR 46 N 5.71 3.17 0.69 0.43 2.02 -1.26 -5.07 117.35 123.04 1c7m s TYR 46 Ca 0.48 1.43 -0.12 0.00 -0.37 0.00 0.00 57.07 58.50 1c7m s TYR 46 Cb -0.02 -2.88 0.01 0.00 -0.40 0.00 0.00 41.96 38.67 1c7m s TYR 46 CO -0.06 -1.07 1.06 -1.54 -1.57 0.00 0.00 175.55 172.37 1c7m s SER 47 N -3.54 5.32 0.13 2.29 1.04 -1.26 -4.93 113.70 112.75 1c7m s SER 47 Ca 0.59 1.68 -0.21 0.00 0.48 0.00 0.00 55.95 58.49 1c7m s SER 47 Cb -0.14 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.45 1c7m s SER 47 CO 0.49 -1.49 1.68 -0.78 0.98 0.00 0.00 173.24 174.12 1c7m h ASP 48 N -0.59 -0.36 0.81 7.02 3.58 -1.98 -2.64 116.42 122.26 1c7m h ASP 48 Ca -0.44 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.08 1c7m h ASP 48 Cb 1.21 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.45 1c7m h ASP 48 CO 0.56 -0.15 0.00 -0.81 -2.88 0.00 0.00 179.24 175.96 1c7m n PRO 49 N -5.26 0.18 0.47 0.28 -0.04 -1.26 -1.08 135.00 128.29 1c7m n PRO 49 Ca -0.03 0.37 -0.18 0.00 -0.04 0.00 0.00 63.50 63.62 1c7m n PRO 49 Cb 0.18 -1.83 -0.09 0.00 -0.04 0.00 0.00 33.50 31.73 1c7m n PRO 49 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1c7m h MET 50 N 0.00 -1.15 -0.14 0.54 2.86 -1.75 -2.65 114.93 112.65 1c7m h MET 50 Ca 0.00 0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.61 1c7m h MET 50 Cb 0.41 0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1c7m h MET 50 CO 0.00 -0.76 -0.40 1.57 1.06 0.00 0.00 176.91 178.38 1c7m h LYS 51 N -1.22 0.30 0.00 1.72 2.10 -1.43 -2.92 116.57 115.11 1c7m h LYS 51 Ca -0.12 -0.14 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1c7m h LYS 51 Cb 0.91 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 1c7m h LYS 51 CO 0.20 0.65 0.00 0.00 -2.00 0.00 0.00 179.45 178.30 1c7m h ALA 52 N 1.34 1.00 0.26 0.07 0.00 -1.26 -3.26 119.26 117.41 1c7m h ALA 52 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1c7m h ALA 52 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1c7m h ALA 52 CO 0.06 0.00 -0.12 1.25 0.00 0.00 0.00 179.25 180.44 1c7m h HIS 53 N 0.00 -0.32 0.00 0.00 -0.00 -1.28 -3.49 115.15 110.05 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 0.40 0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 1c7m h HIS 53 CO 0.00 -0.20 0.00 0.41 -0.00 0.00 0.00 177.93 178.14 1c7m n GLY 54 N -0.07 2.59 7.00 5.26 0.00 -1.16 -4.95 105.19 113.86 1c7m n GLY 54 Ca -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 3.74 3.24 -0.02 0.00 -1.26 -1.41 105.19 109.48 1c7m n GLY 55 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.14 -1.00 1.61 1.01 -1.26 -4.05 116.67 108.84 1c7m s ASP 56 Ca 0.00 -0.07 -0.23 0.00 0.71 0.00 0.00 52.55 52.96 1c7m s ASP 56 Cb 0.00 0.33 0.03 0.00 1.01 0.00 0.00 42.92 44.28 1c7m s ASP 56 CO 0.00 -0.52 1.57 0.26 0.21 0.00 0.00 175.17 176.68 1c7m s TRP 57 N -1.92 2.37 0.63 4.23 0.23 0.17 -4.83 118.94 119.82 1c7m s TRP 57 Ca -0.09 -0.51 -0.12 0.00 -2.03 0.00 0.00 56.10 53.34 1c7m s TRP 57 Cb -0.03 -4.55 -0.03 0.00 0.03 0.00 0.00 33.47 28.89 1c7m s TRP 57 CO 0.01 -1.89 1.04 0.95 0.96 0.00 0.00 176.95 178.01 1c7m s THR 58 N 6.15 4.31 0.00 2.01 -4.23 -1.26 -0.53 115.64 122.09 1c7m s THR 58 Ca 0.52 0.84 -0.02 0.00 -1.18 0.00 0.00 61.69 61.84 1c7m s THR 58 Cb -0.01 -3.61 -0.10 0.00 1.34 0.00 0.00 72.50 70.11 1c7m s THR 58 CO -0.08 -0.89 1.98 -0.81 -0.54 0.00 0.00 174.62 174.28 1c7m n PRO 59 N -2.64 1.00 0.14 3.99 -0.04 -1.26 -1.47 135.00 134.73 1c7m n PRO 59 Ca 0.07 -0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 1c7m n PRO 59 Cb 0.54 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1c7m n PRO 59 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1c7m n GLU 60 N 2.31 0.00 -0.22 0.54 0.28 -1.26 -4.62 120.64 117.66 1c7m n GLU 60 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 1c7m n GLU 60 Cb 0.47 0.00 0.12 0.00 1.43 0.00 0.00 31.44 33.46 1c7m n GLU 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1c7m h ALA 61 N 0.00 0.89 -0.48 -1.84 0.00 -1.94 -1.49 119.26 114.40 1c7m h ALA 61 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1c7m h ALA 61 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1c7m h ALA 61 CO 0.00 -0.11 0.32 -0.07 0.00 0.00 0.00 179.25 179.39 1c7m h LEU 62 N 0.52 0.55 -0.39 0.00 3.38 -1.57 0.02 115.31 117.83 1c7m h LEU 62 Ca 0.33 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.24 1c7m h LEU 62 Cb 0.36 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1c7m h LEU 62 CO -0.28 0.40 0.09 1.56 0.09 0.00 0.00 178.44 180.30 1c7m h GLN 63 N 0.65 0.62 -0.30 1.13 4.20 -1.69 0.28 115.11 120.00 1c7m h GLN 63 Ca 0.18 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1c7m h GLN 63 Cb -0.07 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 1c7m h GLN 63 CO -0.04 0.66 0.07 0.93 -0.67 0.00 0.00 178.83 179.78 1c7m h GLU 64 N 0.48 0.49 0.01 1.46 5.08 -1.28 -2.19 114.58 118.63 1c7m h GLU 64 Ca 0.12 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1c7m h GLU 64 Cb 0.32 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1c7m h GLU 64 CO 0.00 0.56 -0.00 0.35 -1.00 0.00 0.00 179.01 178.92 1c7m h PHE 65 N 0.33 -0.01 0.00 4.33 3.57 -1.01 -1.89 116.94 122.26 1c7m h PHE 65 Ca 0.10 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1c7m h PHE 65 Cb 0.30 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 1c7m h PHE 65 CO 0.01 0.22 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.21 1c7m h LEU 66 N -0.23 0.00 -0.45 0.59 3.38 -0.55 -1.11 115.31 116.94 1c7m h LEU 66 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1c7m h LEU 66 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1c7m h LEU 66 CO 0.00 0.04 -0.66 0.74 0.09 0.00 0.00 178.44 178.65 1c7m h THR 67 N 0.00 1.35 -1.18 0.22 2.02 -1.29 0.38 112.91 114.41 1c7m h THR 67 Ca -0.00 -1.99 -0.16 0.00 0.77 0.00 0.00 66.41 65.03 1c7m h THR 67 Cb 0.11 1.97 -0.20 0.00 -1.74 0.00 0.00 68.15 68.29 1c7m h THR 67 CO 0.00 0.61 -0.52 0.21 0.37 0.00 0.00 175.52 176.19 1c7m s ASN 68 N -6.96 -1.04 0.18 4.18 3.84 -0.72 -4.09 114.94 110.34 1c7m s ASN 68 Ca -0.07 -1.38 -0.13 0.00 0.21 0.00 0.00 52.86 51.50 1c7m s ASN 68 Cb 0.11 1.65 0.12 0.00 -0.55 0.00 0.00 41.25 42.58 1c7m s ASN 68 CO 0.84 -0.13 1.83 -0.65 -2.79 0.00 0.00 177.10 176.20 1c7m h PRO 69 N 6.15 0.67 0.00 0.43 0.11 -1.43 -2.22 132.00 135.71 1c7m h PRO 69 Ca 0.07 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1c7m h PRO 69 Cb 1.12 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1c7m h PRO 69 CO 0.09 0.45 0.00 0.87 -0.21 0.00 0.00 178.00 179.20 1c7m h LYS 70 N 0.69 0.00 -0.13 1.05 1.57 -1.87 -1.64 116.57 116.24 1c7m h LYS 70 Ca 0.23 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.91 1c7m h LYS 70 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1c7m h LYS 70 CO -0.09 0.00 -0.30 0.00 -0.57 0.00 0.00 179.45 178.48 1c7m h ALA 71 N 2.07 0.22 0.02 3.86 0.00 -1.78 -3.10 119.26 120.55 1c7m h ALA 71 Ca 0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1c7m h ALA 71 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1c7m h ALA 71 CO 0.00 0.24 -0.01 0.28 0.00 0.00 0.00 179.25 179.76 1c7m h VAL 72 N 0.04 1.38 -3.51 0.00 2.07 -1.54 -3.41 116.25 111.27 1c7m h VAL 72 Ca -0.00 -1.85 -0.73 0.00 0.82 0.00 0.00 66.70 64.94 1c7m h VAL 72 Cb 0.90 2.52 -0.31 0.00 -1.52 0.00 0.00 31.29 32.88 1c7m h VAL 72 CO 0.07 0.44 -0.28 -0.69 0.02 0.00 0.00 177.57 177.12 1c7m s VAL 73 N -2.55 4.28 -0.46 2.57 1.01 -0.62 -5.07 120.40 119.56 1c7m s VAL 73 Ca -0.15 -2.40 -0.28 0.00 0.00 0.00 0.00 61.98 59.15 1c7m s VAL 73 Cb -0.02 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 1c7m s VAL 73 CO 0.57 -0.87 1.63 -1.59 0.00 0.00 0.00 175.10 174.84 1c7m s LYS 74 N 0.55 3.23 0.00 2.72 0.00 -1.17 -2.32 119.74 122.75 1c7m s LYS 74 Ca 0.13 0.91 0.00 0.00 0.00 0.00 0.00 55.97 57.00 1c7m s LYS 74 Cb -0.20 -4.18 0.00 0.00 0.00 0.00 0.00 37.83 33.45 1c7m s LYS 74 CO -0.04 -1.99 0.00 0.41 0.00 0.00 0.00 175.35 173.73 1c7m n GLY 75 N 5.36 0.93 3.74 0.59 0.00 -1.26 -4.77 105.19 109.78 1c7m n GLY 75 Ca 0.18 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.28 4.30 -2.00 2.61 -1.32 -0.98 -4.58 115.64 111.39 1c7m s THR 76 Ca 0.00 2.08 0.04 0.00 -1.21 0.00 0.00 61.69 62.60 1c7m s THR 76 Cb 0.00 -4.32 0.11 0.00 -1.51 0.00 0.00 72.50 66.78 1c7m s THR 76 CO 0.00 0.40 0.64 0.29 -2.21 0.00 0.00 174.62 173.75 1c7m n LYS 77 N 2.18 0.40 -2.70 7.08 5.02 -1.26 -4.78 118.16 124.10 1c7m n LYS 77 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.87 1c7m n LYS 77 Cb 0.48 -1.16 -0.03 0.00 -0.02 0.00 0.00 35.03 34.30 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 -1.33 1.97 1.75 -1.26 -4.96 119.30 116.91 1c7m s MET 78 Ca 0.06 0.04 -0.15 0.00 -1.25 0.00 0.00 55.69 54.39 1c7m s MET 78 Cb 0.03 -4.02 -0.00 0.00 2.84 0.00 0.00 34.83 33.67 1c7m s MET 78 CO 0.05 -1.58 2.19 0.00 -0.65 0.00 0.00 175.02 175.02 1c7m n ALA 79 N 7.98 5.16 -3.60 4.11 0.00 -1.26 -4.87 120.51 128.03 1c7m n ALA 79 Ca 0.06 -3.76 -0.15 0.00 0.00 0.00 0.00 53.44 49.59 1c7m n ALA 79 Cb 0.48 -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 3.52 0.07 0.04 0.00 5.36 -1.26 -5.09 117.98 120.62 1c7m s PHE 80 Ca 0.49 0.09 -0.06 0.00 -0.96 0.00 0.00 56.93 56.49 1c7m s PHE 80 Cb 0.14 -0.23 -0.29 0.00 -0.34 0.00 0.00 43.02 42.30 1c7m s PHE 80 CO -0.05 -0.08 0.99 0.00 -1.46 0.00 0.00 175.22 174.62 1c7m h ALA 81 N 7.08 0.12 0.00 11.12 0.00 -1.94 -3.40 119.26 132.24 1c7m h ALA 81 Ca -0.42 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.52 1c7m h ALA 81 Cb 1.14 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1c7m h ALA 81 CO 0.49 0.99 0.00 0.41 0.00 0.00 0.00 179.25 181.14 1c7m n GLY 82 N 1.63 4.55 3.69 0.00 0.00 -1.26 -4.32 105.19 109.48 1c7m n GLY 82 Ca -0.13 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 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 4.24 -0.03 0.99 1.43 0.13 -4.94 118.68 120.51 1c7m s LEU 83 Ca 0.00 1.23 -0.15 0.00 -1.03 0.00 0.00 54.13 54.17 1c7m s LEU 83 Cb 0.00 -3.21 -0.32 0.00 0.03 0.00 0.00 46.19 42.69 1c7m s LEU 83 CO 0.00 -0.29 0.80 1.55 0.23 0.00 0.00 176.35 178.64 1c7m h PRO 84 N 7.09 0.41 -6.46 1.29 0.13 -1.92 -3.39 132.00 129.14 1c7m h PRO 84 Ca -0.35 -0.70 -0.54 0.00 -0.87 0.00 0.00 66.00 63.55 1c7m h PRO 84 Cb 1.16 0.26 -0.03 0.00 0.13 0.00 0.00 31.00 32.52 1c7m h PRO 84 CO 0.80 1.33 -0.01 0.15 -0.23 0.00 0.00 178.00 180.04 1c7m s LYS 85 N -2.54 4.03 0.27 0.86 -0.14 -1.26 -5.01 119.74 115.94 1c7m s LYS 85 Ca -0.14 0.58 0.00 0.00 -1.36 0.00 0.00 55.97 55.05 1c7m s LYS 85 Cb 0.04 -2.80 0.56 0.00 -1.68 0.00 0.00 37.83 33.95 1c7m s LYS 85 CO 0.87 0.39 1.78 0.97 -0.76 0.00 0.00 175.35 178.59 1c7m h ILE 86 N 2.54 0.76 -0.21 2.17 -0.00 -2.00 -2.11 117.51 118.67 1c7m h ILE 86 Ca -0.48 -0.24 -0.02 0.00 -0.00 0.00 0.00 64.86 64.12 1c7m h ILE 86 Cb 1.19 -0.00 -0.01 0.00 -0.00 0.00 0.00 36.82 37.99 1c7m h ILE 86 CO 0.66 0.13 0.04 -0.33 -0.00 0.00 0.00 178.15 178.65 1c7m h GLU 87 N 0.70 0.29 0.32 2.19 5.08 -1.95 -1.92 114.58 119.29 1c7m h GLU 87 Ca 0.48 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.79 1c7m h GLU 87 Cb 0.65 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1c7m h GLU 87 CO -0.35 0.29 -0.15 -0.44 -1.00 0.00 0.00 179.01 177.36 1c7m h ASP 88 N 0.29 -0.36 -0.27 1.42 3.32 -1.74 -0.97 116.42 118.12 1c7m h ASP 88 Ca 0.07 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1c7m h ASP 88 Cb 0.14 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1c7m h ASP 88 CO -0.00 -0.11 -0.01 0.08 -1.72 0.00 0.00 179.24 177.47 1c7m h ARG 89 N -0.61 0.48 -0.88 3.56 -0.00 -1.64 -2.85 114.38 112.45 1c7m h ARG 89 Ca -0.04 -0.16 0.06 0.00 -0.00 0.00 0.00 59.98 59.83 1c7m h ARG 89 Cb 0.44 -0.04 -0.06 0.00 -0.00 0.00 0.00 29.97 30.31 1c7m h ARG 89 CO 0.07 0.66 0.56 0.00 -0.00 0.00 0.00 179.97 181.25 1c7m h ALA 90 N 0.81 1.21 -0.13 0.08 0.00 -1.41 0.25 119.26 120.06 1c7m h ALA 90 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1c7m h ALA 90 Cb 0.45 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1c7m h ALA 90 CO 0.02 0.33 0.06 -0.91 0.00 0.00 0.00 179.25 178.75 1c7m h ASN 91 N 1.03 0.17 -0.74 0.00 2.35 -0.67 -1.50 115.58 116.21 1c7m h ASN 91 Ca 0.38 -0.12 0.04 0.00 -0.55 0.00 0.00 56.30 56.05 1c7m h ASN 91 Cb 0.14 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 1c7m h ASN 91 CO -0.16 0.24 0.46 0.25 -1.65 0.00 0.00 177.43 176.57 1c7m h LEU 92 N 0.09 0.75 -0.55 1.61 6.46 -1.42 -2.03 115.31 120.23 1c7m h LEU 92 Ca 0.04 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.84 1c7m h LEU 92 Cb 0.11 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 39.85 1c7m h LEU 92 CO -0.01 0.51 0.31 0.40 -0.62 0.00 0.00 178.44 179.03 1c7m h ILE 93 N 0.89 1.02 -0.67 4.05 2.04 -0.94 0.04 117.51 123.95 1c7m h ILE 93 Ca 0.31 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 66.04 1c7m h ILE 93 Cb 0.06 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.43 1c7m h ILE 93 CO -0.13 0.11 0.33 0.00 0.00 0.00 0.00 178.15 178.46 1c7m h ALA 94 N 1.26 0.90 0.11 1.87 0.00 -1.10 -0.70 119.26 121.61 1c7m h ALA 94 Ca 0.23 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1c7m h ALA 94 Cb 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1c7m h ALA 94 CO -0.12 -0.05 -0.33 -0.92 0.00 0.00 0.00 179.25 177.82 1c7m h TYR 95 N 0.59 -0.91 0.00 0.00 3.20 -1.20 -3.14 116.97 115.50 1c7m h TYR 95 Ca 0.32 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.20 1c7m h TYR 95 Cb 0.30 0.39 -0.00 0.00 1.54 0.00 0.00 36.73 38.96 1c7m h TYR 95 CO -0.11 -0.44 -0.06 -0.07 -1.64 0.00 0.00 178.16 175.84 1c7m h LEU 96 N -0.55 0.00 0.33 2.82 3.38 -0.71 0.84 115.31 121.41 1c7m h LEU 96 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1c7m h LEU 96 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1c7m h LEU 96 CO -0.20 0.06 -0.16 -0.33 0.09 0.00 0.00 178.44 177.90 1c7m h GLU 97 N 0.00 -0.42 -0.00 1.13 5.08 -1.18 -3.33 114.58 115.85 1c7m h GLU 97 Ca -0.00 0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 1c7m h GLU 97 Cb 0.18 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1c7m h GLU 97 CO 0.01 -0.17 -0.61 0.78 -1.00 0.00 0.00 179.01 178.02 1c7m h GLY 98 N -0.62 0.01 -7.43 -3.84 0.00 -1.44 -3.43 103.07 86.32 1c7m h GLY 98 Ca -0.04 -0.02 -0.67 0.00 0.00 0.00 0.00 47.33 46.60 1c7m h GLY 98 CO 0.07 0.01 1.20 1.62 0.00 0.00 0.00 176.54 179.45 1c7m s GLN 99 N -3.65 3.70 0.00 4.80 2.00 0.27 -5.02 119.66 121.76 1c7m s GLN 99 Ca -0.01 -1.73 0.00 0.00 -2.00 0.00 0.00 55.36 51.62 1c7m s GLN 99 Cb 0.13 -5.11 0.00 0.00 0.80 0.00 0.00 33.01 28.83 1c7m s GLN 99 CO 0.76 -1.93 0.00 0.00 -0.50 0.00 0.00 175.29 173.62