#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 5.78 -3.79 3.04 0.00 -1.26 -3.59 120.51 120.69 1c7m n ALA 2 Ca 0.00 -4.05 -0.30 0.00 0.00 0.00 0.00 53.44 49.09 1c7m n ALA 2 Cb 0.00 -3.22 -0.13 0.00 0.00 0.00 0.00 19.45 16.10 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 1.86 3.88 0.25 0.00 1.11 -1.26 -5.03 116.67 117.47 1c7m s ASP 3 Ca 0.47 -2.80 0.13 0.00 0.18 0.00 0.00 52.55 50.52 1c7m s ASP 3 Cb 0.13 -1.25 0.19 0.00 1.07 0.00 0.00 42.92 43.06 1c7m s ASP 3 CO -0.05 -0.25 1.50 1.55 1.18 0.00 0.00 175.17 179.10 1c7m h PRO 4 N 6.60 0.00 -0.63 8.23 0.13 -1.86 -2.43 132.00 142.04 1c7m h PRO 4 Ca -0.02 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.01 1c7m h PRO 4 Cb 0.91 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.02 1c7m h PRO 4 CO 0.56 0.64 0.03 0.00 -0.23 0.00 0.00 178.00 179.00 1c7m h ALA 5 N 1.36 0.87 -0.87 -0.56 0.00 -1.96 -0.92 119.26 117.18 1c7m h ALA 5 Ca -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1c7m h ALA 5 Cb 1.32 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1c7m h ALA 5 CO 0.08 0.67 0.45 0.00 0.00 0.00 0.00 179.25 180.45 1c7m h ALA 6 N 1.03 1.15 0.00 0.00 0.00 -1.93 -2.76 119.26 116.75 1c7m h ALA 6 Ca 0.18 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1c7m h ALA 6 Cb 0.52 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1c7m h ALA 6 CO 0.03 0.66 -0.13 0.78 0.00 0.00 0.00 179.25 180.58 1c7m h GLY 7 N 1.23 0.00 1.33 0.00 0.00 -1.36 -2.23 103.07 102.05 1c7m h GLY 7 Ca 0.30 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.51 1c7m h GLY 7 CO -0.04 0.00 -0.26 -2.09 0.00 0.00 0.00 176.54 174.15 1c7m h GLU 8 N 0.00 0.76 -0.42 4.80 4.81 -1.01 0.79 114.58 124.31 1c7m h GLU 8 Ca -0.00 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 58.90 1c7m h GLU 8 Cb 0.27 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1c7m h GLU 8 CO 0.02 0.93 0.22 0.87 -0.73 0.00 0.00 179.01 180.32 1c7m h LYS 9 N 0.66 0.59 -0.70 1.92 1.79 -1.36 -2.38 116.57 117.08 1c7m h LYS 9 Ca 0.08 -0.07 0.03 0.00 -2.18 0.00 0.00 60.65 58.52 1c7m h LYS 9 Cb 0.77 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.26 1c7m h LYS 9 CO 0.06 0.48 0.43 0.28 -1.08 0.00 0.00 179.45 179.63 1c7m h VAL 10 N 0.54 1.08 -0.07 0.50 2.07 -1.40 -2.47 116.25 116.49 1c7m h VAL 10 Ca 0.15 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1c7m h VAL 10 Cb 0.07 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1c7m h VAL 10 CO -0.02 0.15 0.14 0.15 0.02 0.00 0.00 177.57 178.01 1c7m h PHE 11 N 0.85 0.00 -0.30 1.57 3.57 -0.73 -2.63 116.94 119.27 1c7m h PHE 11 Ca 0.28 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.87 1c7m h PHE 11 Cb 0.03 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1c7m h PHE 11 CO -0.04 0.00 0.27 0.78 -2.23 0.00 0.00 178.31 177.08 1c7m h GLY 12 N 0.00 0.00 1.04 2.40 0.00 -0.93 0.10 103.07 105.68 1c7m h GLY 12 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.26 1c7m h GLY 12 CO -0.00 0.00 -0.13 0.50 0.00 0.00 0.00 176.54 176.91 1c7m h LYS 13 N 0.00 0.89 -0.18 4.80 6.56 -1.61 -3.36 116.57 123.67 1c7m h LYS 13 Ca 0.14 -0.35 -0.19 0.00 -1.06 0.00 0.00 60.65 59.20 1c7m h LYS 13 Cb 0.68 -0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 32.29 1c7m h LYS 13 CO -0.00 0.99 -0.64 0.00 -2.06 0.00 0.00 179.45 177.74 1c7m h LYS 15 N 0.47 0.00 -0.51 0.00 2.10 -0.98 -0.02 116.57 117.64 1c7m h LYS 15 Ca -0.01 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.60 1c7m h LYS 15 Cb 1.23 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.53 1c7m h LYS 15 CO 0.13 0.03 0.16 0.00 -2.00 0.00 0.00 179.45 177.76 1c7m h ALA 16 N 1.97 1.33 0.09 0.07 0.00 -1.81 -3.33 119.26 117.58 1c7m h ALA 16 Ca -0.00 -0.17 -0.27 0.00 0.00 0.00 0.00 54.91 54.47 1c7m h ALA 16 Cb 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1c7m h ALA 16 CO 0.00 0.49 -1.42 0.00 0.00 0.00 0.00 179.25 178.32 1c7m s HIS 18 N -2.46 2.82 -0.17 0.00 3.76 -0.10 -0.71 115.29 118.43 1c7m s HIS 18 Ca -0.22 -0.52 -0.04 0.00 -0.15 0.00 0.00 55.06 54.14 1c7m s HIS 18 Cb 0.05 -1.82 -0.23 0.00 1.11 0.00 0.00 32.58 31.69 1c7m s HIS 18 CO 0.73 -0.12 0.15 1.63 -0.85 0.00 0.00 174.74 176.28 1c7m n LYS 19 N 3.31 0.72 0.00 1.40 4.01 -1.09 -4.15 118.16 122.36 1c7m n LYS 19 Ca -0.18 0.22 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 1c7m n LYS 19 Cb 0.53 -1.64 0.00 0.00 -0.51 0.00 0.00 35.03 33.40 1c7m n LYS 19 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 1c7m n LEU 20 N -3.40 0.00 -3.45 -0.35 -0.00 -1.26 -4.89 117.00 103.64 1c7m n LEU 20 Ca -0.37 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.24 1c7m n LEU 20 Cb 1.03 -0.13 -0.01 0.00 -0.00 0.00 0.00 43.42 44.30 1c7m n LEU 20 CO 0.37 0.00 2.78 0.47 -0.00 0.00 0.00 177.39 181.01 1c7m n ASP 21 N 0.00 7.94 0.00 1.45 8.00 -1.26 -4.29 116.55 128.39 1c7m n ASP 21 Ca 0.00 -2.91 0.00 0.00 0.71 0.00 0.00 54.79 52.59 1c7m n ASP 21 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 39.64 1c7m n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c7m n GLY 22 N 2.62 1.15 3.81 0.44 0.00 -1.26 -4.94 105.19 107.01 1c7m n GLY 22 Ca 0.67 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 4.65 0.00 1.61 0.01 -1.26 -4.72 114.94 115.22 1c7m s ASN 23 Ca 0.00 1.33 0.00 0.00 -0.71 0.00 0.00 52.86 53.48 1c7m s ASN 23 Cb 0.00 -2.09 0.00 0.00 0.41 0.00 0.00 41.25 39.57 1c7m s ASN 23 CO 0.00 -1.87 0.00 0.47 -1.51 0.00 0.00 177.10 174.19 1c7m n ASP 24 N -3.37 0.00 0.00 -1.22 8.00 -1.26 -3.95 116.55 114.75 1c7m n ASP 24 Ca 0.07 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1c7m n ASP 24 Cb 0.56 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 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 2.46 0.31 0.09 0.44 0.00 -1.26 -2.67 105.19 104.57 1c7m n GLY 25 Ca 0.00 -1.49 -0.18 0.00 0.00 0.00 0.00 46.02 44.34 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 1.36 -5.14 1.61 2.07 -1.15 -3.48 116.25 111.52 1c7m h VAL 26 Ca 0.00 -2.32 -0.47 0.00 0.82 0.00 0.00 66.70 64.73 1c7m h VAL 26 Cb 0.00 2.89 0.11 0.00 -1.52 0.00 0.00 31.29 32.77 1c7m h VAL 26 CO 0.00 0.54 0.20 0.61 0.02 0.00 0.00 177.57 178.94 1c7m n GLY 27 N 1.58 0.06 3.53 2.17 0.00 -0.59 -5.02 105.19 106.91 1c7m n GLY 27 Ca -0.20 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.58 1c7m n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c7m s PRO 28 N -5.39 -1.41 0.31 1.61 0.04 -1.26 -4.62 135.00 124.28 1c7m s PRO 28 Ca 0.70 0.13 -0.29 0.00 0.04 0.00 0.00 61.00 61.59 1c7m s PRO 28 Cb -0.03 -1.56 -0.10 0.00 0.04 0.00 0.00 34.50 32.85 1c7m s PRO 28 CO 0.47 -3.87 1.26 -3.38 0.04 0.00 0.00 177.00 171.52 1c7m s HIS 29 N -2.78 3.18 -0.30 0.56 -3.43 -1.25 -4.25 115.29 107.01 1c7m s HIS 29 Ca 0.69 1.45 0.09 0.00 -0.80 0.00 0.00 55.06 56.50 1c7m s HIS 29 Cb -0.13 -3.59 0.55 0.00 -1.43 0.00 0.00 32.58 27.98 1c7m s HIS 29 CO 0.57 -1.59 1.56 1.28 -2.00 0.00 0.00 174.74 174.56 1c7m n LEU 30 N 1.07 4.64 -4.55 5.38 4.77 -1.26 -4.85 117.00 122.20 1c7m n LEU 30 Ca 0.00 -3.60 -0.37 0.00 -0.03 0.00 0.00 56.01 52.02 1c7m n LEU 30 Cb 0.42 -0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 1c7m n LEU 30 CO 0.58 1.11 1.58 0.54 -1.33 0.00 0.00 177.39 179.86 1c7m s ASN 31 N -2.15 5.24 -0.40 -1.43 2.20 -1.26 -2.81 114.94 114.33 1c7m s ASN 31 Ca 0.47 0.21 -0.02 0.00 -0.94 0.00 0.00 52.86 52.58 1c7m s ASN 31 Cb 0.41 -2.53 0.00 0.00 -2.00 0.00 0.00 41.25 37.13 1c7m s ASN 31 CO 0.04 -2.44 0.35 0.61 -2.94 0.00 0.00 177.10 172.72 1c7m n GLY 32 N 5.86 0.43 0.25 0.45 0.00 -1.25 -5.00 105.19 105.93 1c7m n GLY 32 Ca 0.23 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.77 0.60 -2.77 1.61 3.04 -1.72 -3.39 116.25 112.84 1c7m h VAL 33 Ca -0.17 -0.75 -0.56 0.00 -1.01 0.00 0.00 66.70 64.21 1c7m h VAL 33 Cb 1.11 1.49 -0.04 0.00 -2.01 0.00 0.00 31.29 31.84 1c7m h VAL 33 CO 0.17 0.16 1.21 -0.69 -1.01 0.00 0.00 177.57 177.41 1c7m s VAL 34 N -4.03 3.62 0.00 1.51 1.01 -1.26 -2.39 120.40 118.86 1c7m s VAL 34 Ca -0.02 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1c7m s VAL 34 Cb 0.12 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1c7m s VAL 34 CO 0.61 -0.66 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1c7m n GLY 35 N 5.34 0.75 3.10 4.51 0.00 0.46 -4.98 105.19 114.37 1c7m n GLY 35 Ca 0.20 -0.69 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.77 0.87 0.58 1.61 3.52 -1.00 -4.86 118.95 115.90 1c7m s ARG 36 Ca 0.00 -0.62 -0.20 0.00 -0.13 0.00 0.00 55.73 54.78 1c7m s ARG 36 Cb 0.00 -0.85 -0.04 0.00 -1.56 0.00 0.00 34.95 32.50 1c7m s ARG 36 CO 0.00 0.22 1.30 -2.37 -0.81 0.00 0.00 175.30 173.64 1c7m n THR 37 N 2.20 4.14 -2.67 4.11 5.66 -1.26 -0.57 114.28 125.89 1c7m n THR 37 Ca -0.17 -0.50 -0.43 0.00 -3.05 0.00 0.00 64.05 59.90 1c7m n THR 37 Cb 0.55 -1.56 -0.02 0.00 -1.55 0.00 0.00 70.33 67.75 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 -1.33 4.73 -0.49 1.08 1.01 -0.50 -3.88 120.40 121.01 1c7m s VAL 38 Ca 0.75 2.03 0.00 0.00 0.00 0.00 0.00 61.98 64.77 1c7m s VAL 38 Cb -0.41 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.66 1c7m s VAL 38 CO 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 175.10 175.47 1c7m n ALA 39 N 5.74 -0.07 -3.41 5.51 0.00 -1.26 -3.28 120.51 123.74 1c7m n ALA 39 Ca 0.11 0.08 -0.44 0.00 0.00 0.00 0.00 53.44 53.19 1c7m n ALA 39 Cb 0.47 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 1c7m n ALA 39 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1c7m s GLY 40 N -2.52 3.06 -0.14 0.00 0.00 -1.25 -4.88 107.32 101.59 1c7m s GLY 40 Ca 0.00 -3.71 -0.02 0.00 0.00 0.00 0.00 44.72 40.99 1c7m s GLY 40 CO 0.00 1.28 0.02 0.14 0.00 0.00 0.00 173.10 174.54 1c7m s VAL 41 N -0.93 0.44 -0.76 1.40 1.01 -1.26 -4.93 120.40 115.37 1c7m s VAL 41 Ca 0.27 -0.26 -0.26 0.00 0.00 0.00 0.00 61.98 61.73 1c7m s VAL 41 Cb -0.10 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1c7m s VAL 41 CO -0.09 -0.01 1.64 -0.62 0.00 0.00 0.00 175.10 176.02 1c7m s ASP 42 N 1.92 5.70 0.00 3.32 2.15 -1.26 -2.59 116.67 125.90 1c7m s ASP 42 Ca 0.02 -0.35 0.00 0.00 0.43 0.00 0.00 52.55 52.65 1c7m s ASP 42 Cb -0.15 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 1c7m s ASP 42 CO -0.07 -2.15 0.00 0.61 -0.17 0.00 0.00 175.17 173.39 1c7m n GLY 43 N 5.99 3.09 3.57 2.66 0.00 -1.26 -5.13 105.19 114.10 1c7m n GLY 43 Ca 0.20 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 3.19 -0.16 1.61 2.19 -1.07 -5.10 117.98 118.63 1c7m s PHE 44 Ca 0.00 -0.08 -0.24 0.00 0.33 0.00 0.00 56.93 56.94 1c7m s PHE 44 Cb 0.00 -2.15 -0.02 0.00 -1.31 0.00 0.00 43.02 39.54 1c7m s PHE 44 CO 0.00 -0.04 0.77 1.21 1.83 0.00 0.00 175.22 178.99 1c7m s ASN 45 N 0.89 6.89 0.56 6.13 2.47 -1.26 -4.65 114.94 125.98 1c7m s ASN 45 Ca 0.04 1.09 0.09 0.00 0.42 0.00 0.00 52.86 54.51 1c7m s ASN 45 Cb -0.14 -2.42 0.08 0.00 -1.45 0.00 0.00 41.25 37.32 1c7m s ASN 45 CO 0.03 -0.34 0.75 -0.31 -3.72 0.00 0.00 177.10 173.51 1c7m s TYR 46 N 1.94 1.54 0.76 0.43 1.51 -1.26 -5.12 117.35 117.15 1c7m s TYR 46 Ca 0.36 -0.70 -0.11 0.00 -1.01 0.00 0.00 57.07 55.60 1c7m s TYR 46 Cb -0.17 -2.21 0.05 0.00 -0.11 0.00 0.00 41.96 39.53 1c7m s TYR 46 CO 0.13 -1.05 1.08 -1.54 -1.11 0.00 0.00 175.55 173.06 1c7m s SER 47 N -4.62 4.79 0.10 2.29 1.04 -1.26 -4.92 113.70 111.12 1c7m s SER 47 Ca 0.60 1.41 -0.22 0.00 0.48 0.00 0.00 55.95 58.22 1c7m s SER 47 Cb -0.06 -2.20 -0.12 0.00 0.10 0.00 0.00 66.02 63.75 1c7m s SER 47 CO 0.37 -1.79 1.74 0.44 0.98 0.00 0.00 173.24 174.99 1c7m h ASP 48 N -0.96 0.09 0.68 7.02 3.32 -2.00 -1.98 116.42 122.59 1c7m h ASP 48 Ca -0.46 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 1c7m h ASP 48 Cb 1.25 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 1c7m h ASP 48 CO 0.58 0.08 -0.08 1.55 -1.72 0.00 0.00 179.24 179.65 1c7m h PRO 49 N 0.10 0.00 0.45 3.56 0.13 -1.86 -1.06 132.00 133.31 1c7m h PRO 49 Ca 0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 1c7m h PRO 49 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1c7m h PRO 49 CO -0.01 0.08 -0.41 0.52 -0.23 0.00 0.00 178.00 177.96 1c7m h MET 50 N 0.00 -0.83 -0.53 0.86 2.86 -1.78 -2.98 114.93 112.52 1c7m h MET 50 Ca -0.00 0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 1c7m h MET 50 Cb 0.45 0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 1c7m h MET 50 CO 0.01 -0.56 0.04 0.87 1.06 0.00 0.00 176.91 178.34 1c7m h LYS 51 N -0.86 0.87 0.00 1.72 1.57 -1.13 -2.81 116.57 115.92 1c7m h LYS 51 Ca -0.04 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1c7m h LYS 51 Cb 0.76 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1c7m h LYS 51 CO -0.04 0.84 0.00 0.00 -0.57 0.00 0.00 179.45 179.68 1c7m h ALA 52 N 1.23 1.00 0.17 3.86 0.00 -1.31 -3.31 119.26 120.90 1c7m h ALA 52 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1c7m h ALA 52 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1c7m h ALA 52 CO 0.01 0.00 -0.08 1.25 0.00 0.00 0.00 179.25 180.43 1c7m h HIS 53 N 0.00 -0.21 0.00 0.00 6.17 -1.33 -3.49 115.15 116.28 1c7m h HIS 53 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 1c7m h HIS 53 Cb 0.18 0.07 0.00 0.00 2.52 0.00 0.00 27.41 30.18 1c7m h HIS 53 CO 0.00 -0.13 0.00 0.41 0.71 0.00 0.00 177.93 178.92 1c7m n GLY 54 N 0.25 2.49 7.00 5.26 0.00 -1.21 -4.94 105.19 114.05 1c7m n GLY 54 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 3.85 3.28 -0.02 0.00 -1.26 -1.40 105.19 109.64 1c7m n GLY 55 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.23 -1.00 1.61 1.01 -1.26 -3.98 116.67 108.81 1c7m s ASP 56 Ca 0.00 0.07 -0.23 0.00 0.71 0.00 0.00 52.55 53.10 1c7m s ASP 56 Cb 0.00 0.36 0.03 0.00 1.01 0.00 0.00 42.92 44.32 1c7m s ASP 56 CO 0.00 -0.53 1.58 0.26 0.21 0.00 0.00 175.17 176.69 1c7m s TRP 57 N -1.77 2.37 0.62 4.23 0.23 0.26 -4.83 118.94 120.05 1c7m s TRP 57 Ca -0.10 -0.51 -0.14 0.00 -2.03 0.00 0.00 56.10 53.31 1c7m s TRP 57 Cb -0.03 -4.54 -0.03 0.00 0.03 0.00 0.00 33.47 28.90 1c7m s TRP 57 CO 0.02 -1.88 1.06 0.95 0.96 0.00 0.00 176.95 178.05 1c7m s THR 58 N 6.20 3.88 -1.78 2.01 -4.23 -1.26 -0.40 115.64 120.07 1c7m s THR 58 Ca 0.52 0.82 0.00 0.00 -1.18 0.00 0.00 61.69 61.85 1c7m s THR 58 Cb -0.01 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.43 1c7m s THR 58 CO -0.07 -0.60 0.23 -0.81 -0.54 0.00 0.00 174.62 172.83 1c7m n PRO 59 N -2.30 0.25 -0.02 3.99 -0.04 -1.26 -1.60 135.00 134.02 1c7m n PRO 59 Ca 0.08 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1c7m n PRO 59 Cb 0.53 -1.03 -0.01 0.00 -0.04 0.00 0.00 33.50 32.95 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 -0.31 0.09 -0.30 0.54 0.00 -1.26 -4.42 120.64 114.99 1c7m n GLU 60 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 57.16 57.23 1c7m n GLU 60 Cb 0.01 -0.65 0.17 0.00 0.00 0.00 0.00 31.44 30.97 1c7m n GLU 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1c7m h ALA 61 N -0.15 1.20 -0.69 4.31 0.00 -1.92 -1.59 119.26 120.42 1c7m h ALA 61 Ca -0.10 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1c7m h ALA 61 Cb 1.01 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1c7m h ALA 61 CO -0.06 0.13 0.45 -0.07 0.00 0.00 0.00 179.25 179.70 1c7m h LEU 62 N 0.83 0.65 -1.21 0.00 3.38 -1.61 0.26 115.31 117.61 1c7m h LEU 62 Ca 0.40 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.32 1c7m h LEU 62 Cb 0.35 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1c7m h LEU 62 CO -0.24 0.43 -0.25 1.56 0.09 0.00 0.00 178.44 180.03 1c7m h GLN 63 N 0.74 0.00 0.01 1.13 4.20 -1.52 0.22 115.11 119.89 1c7m h GLN 63 Ca 0.29 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 1c7m h GLN 63 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1c7m h GLN 63 CO -0.09 0.25 -0.01 0.93 -0.67 0.00 0.00 178.83 179.24 1c7m h GLU 64 N 0.00 -0.02 -0.81 1.46 5.08 -1.36 -3.38 114.58 115.55 1c7m h GLU 64 Ca -0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1c7m h GLU 64 Cb 0.71 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1c7m h GLU 64 CO 0.03 0.75 0.54 0.35 -1.00 0.00 0.00 179.01 179.68 1c7m h PHE 65 N -0.95 1.03 0.00 4.33 3.57 -0.93 -1.21 116.94 122.77 1c7m h PHE 65 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1c7m h PHE 65 Cb 0.77 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1c7m h PHE 65 CO 0.21 0.65 0.00 1.28 -2.23 0.00 0.00 178.31 178.22 1c7m n LEU 66 N -4.51 0.00 -0.05 0.59 4.77 0.77 -1.64 117.00 116.92 1c7m n LEU 66 Ca 0.08 0.17 -0.07 0.00 -0.03 0.00 0.00 56.01 56.17 1c7m n LEU 66 Cb 0.02 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 40.87 1c7m n LEU 66 CO 0.36 -0.10 -0.85 0.41 -1.33 0.00 0.00 177.39 175.88 1c7m n THR 67 N -1.17 0.67 -3.59 -5.08 -1.04 -1.01 -0.22 114.28 102.84 1c7m n THR 67 Ca 0.08 -0.33 -0.28 0.00 -2.04 0.00 0.00 64.05 61.48 1c7m n THR 67 Cb 0.08 -0.84 -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 -4.68 2.80 0.19 8.00 0.02 -0.49 -4.20 114.94 116.59 1c7m s ASN 68 Ca -0.11 -3.17 -0.12 0.00 -1.02 0.00 0.00 52.86 48.45 1c7m s ASN 68 Cb 0.04 -0.86 0.22 0.00 0.02 0.00 0.00 41.25 40.66 1c7m s ASN 68 CO 0.33 -0.17 1.73 -0.65 0.02 0.00 0.00 177.10 178.37 1c7m h PRO 69 N 5.81 0.31 -0.02 -0.60 0.11 -1.54 -2.09 132.00 133.99 1c7m h PRO 69 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 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 0.48 0.21 0.00 0.36 -0.21 0.00 0.00 178.00 178.83 1c7m n LYS 70 N -5.05 1.05 0.02 1.05 2.85 -1.26 -1.70 118.16 115.12 1c7m n LYS 70 Ca 0.06 -0.07 -0.22 0.00 -1.05 0.00 0.00 58.31 57.04 1c7m n LYS 70 Cb 0.24 -1.16 -0.14 0.00 -0.65 0.00 0.00 35.03 33.33 1c7m n LYS 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1c7m h ALA 71 N 3.33 0.25 0.13 0.58 0.00 -1.77 -3.28 119.26 118.50 1c7m h ALA 71 Ca 0.00 -1.19 -0.01 0.00 0.00 0.00 0.00 54.91 53.71 1c7m h ALA 71 Cb 0.03 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1c7m h ALA 71 CO 0.00 0.99 -0.06 0.28 0.00 0.00 0.00 179.25 180.46 1c7m h VAL 72 N -0.16 0.69 -3.60 0.00 2.07 -1.57 -3.39 116.25 110.30 1c7m h VAL 72 Ca -0.35 -1.23 -0.75 0.00 0.82 0.00 0.00 66.70 65.19 1c7m h VAL 72 Cb 1.88 1.22 -0.31 0.00 -1.52 0.00 0.00 31.29 32.57 1c7m h VAL 72 CO 0.08 0.20 0.02 -0.69 0.02 0.00 0.00 177.57 177.20 1c7m s VAL 73 N -2.77 4.96 -0.32 2.57 1.01 -0.69 -5.06 120.40 120.11 1c7m s VAL 73 Ca -0.10 -3.09 -0.29 0.00 0.00 0.00 0.00 61.98 58.50 1c7m s VAL 73 Cb -0.00 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1c7m s VAL 73 CO 0.37 -1.04 1.73 -1.59 0.00 0.00 0.00 175.10 174.57 1c7m s LYS 74 N -0.52 3.43 0.00 2.72 0.00 -1.24 -1.82 119.74 122.31 1c7m s LYS 74 Ca 0.22 1.41 0.00 0.00 0.00 0.00 0.00 55.97 57.60 1c7m s LYS 74 Cb -0.12 -4.15 0.00 0.00 0.00 0.00 0.00 37.83 33.56 1c7m s LYS 74 CO -0.08 -1.74 0.00 0.41 0.00 0.00 0.00 175.35 173.94 1c7m n GLY 75 N 5.28 1.20 3.75 0.59 0.00 -1.26 -4.78 105.19 109.97 1c7m n GLY 75 Ca 0.22 -0.27 -0.40 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 -2.18 4.07 -0.95 2.61 -1.32 -0.76 -4.58 115.64 112.54 1c7m s THR 76 Ca 0.00 1.97 0.00 0.00 -1.21 0.00 0.00 61.69 62.45 1c7m s THR 76 Cb 0.00 -4.25 0.00 0.00 -1.51 0.00 0.00 72.50 66.74 1c7m s THR 76 CO 0.00 0.42 0.39 0.29 -2.21 0.00 0.00 174.62 173.51 1c7m n LYS 77 N 1.83 0.75 -2.98 7.08 5.02 -1.26 -4.81 118.16 123.78 1c7m n LYS 77 Ca -0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.85 1c7m n LYS 77 Cb 0.47 -1.36 -0.05 0.00 -0.02 0.00 0.00 35.03 34.07 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 -0.93 3.29 -1.46 1.97 1.75 -1.26 -4.98 119.30 117.67 1c7m s MET 78 Ca 0.00 -0.40 -0.13 0.00 -1.25 0.00 0.00 55.69 53.91 1c7m s MET 78 Cb 0.00 -4.03 -0.01 0.00 2.84 0.00 0.00 34.83 33.64 1c7m s MET 78 CO 0.00 -1.29 2.41 0.00 -0.65 0.00 0.00 175.02 175.49 1c7m n ALA 79 N 6.84 5.96 -3.68 4.11 0.00 -1.26 -4.90 120.51 127.58 1c7m n ALA 79 Ca -0.01 -3.72 -0.26 0.00 0.00 0.00 0.00 53.44 49.45 1c7m n ALA 79 Cb 0.47 -3.49 -0.17 0.00 0.00 0.00 0.00 19.45 16.26 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 3.02 1.56 -0.65 0.00 5.36 -1.26 -5.05 117.98 120.96 1c7m s PHE 80 Ca 0.53 -0.69 0.25 0.00 -0.96 0.00 0.00 56.93 56.06 1c7m s PHE 80 Cb 0.15 -1.20 0.89 0.00 -0.34 0.00 0.00 43.02 42.53 1c7m s PHE 80 CO -0.07 -0.41 1.75 0.00 -1.46 0.00 0.00 175.22 175.03 1c7m n ALA 81 N 4.34 2.03 0.00 11.12 0.00 -1.26 -4.68 120.51 132.05 1c7m n ALA 81 Ca -0.18 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1c7m n ALA 81 Cb 0.51 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1c7m n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c7m n GLY 82 N 0.77 2.62 3.78 0.00 0.00 -1.26 -4.83 105.19 106.28 1c7m n GLY 82 Ca 0.04 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 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 4.52 -0.13 0.99 1.43 0.69 -4.92 118.68 121.26 1c7m s LEU 83 Ca 0.00 1.40 -0.19 0.00 -1.03 0.00 0.00 54.13 54.31 1c7m s LEU 83 Cb 0.00 -3.08 -0.17 0.00 0.03 0.00 0.00 46.19 42.96 1c7m s LEU 83 CO 0.00 0.18 0.48 1.55 0.23 0.00 0.00 176.35 178.80 1c7m h PRO 84 N 4.83 0.00 -6.80 1.29 0.13 -1.96 -3.41 132.00 126.09 1c7m h PRO 84 Ca -0.47 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.18 1c7m h PRO 84 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1c7m h PRO 84 CO 0.66 0.67 0.21 0.15 -0.23 0.00 0.00 178.00 179.47 1c7m s LYS 85 N -2.02 4.26 0.30 0.86 1.02 -1.26 -5.00 119.74 117.90 1c7m s LYS 85 Ca -0.14 0.98 0.02 0.00 0.02 0.00 0.00 55.97 56.86 1c7m s LYS 85 Cb -0.01 -2.59 0.58 0.00 -0.52 0.00 0.00 37.83 35.29 1c7m s LYS 85 CO 0.46 0.21 1.87 0.97 -0.92 0.00 0.00 175.35 177.95 1c7m h ILE 86 N 2.32 0.97 -0.65 2.17 -0.00 -1.98 -2.51 117.51 117.84 1c7m h ILE 86 Ca -0.48 -0.33 0.09 0.00 -0.00 0.00 0.00 64.86 64.14 1c7m h ILE 86 Cb 1.18 -0.09 -0.04 0.00 -0.00 0.00 0.00 36.82 37.88 1c7m h ILE 86 CO 0.64 0.18 0.43 -0.33 -0.00 0.00 0.00 178.15 179.07 1c7m h GLU 87 N 0.97 0.52 0.65 2.19 5.08 -1.98 -1.79 114.58 120.22 1c7m h GLU 87 Ca 0.45 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.74 1c7m h GLU 87 Cb 0.40 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.54 1c7m h GLU 87 CO -0.21 0.34 -0.31 -0.44 -1.00 0.00 0.00 179.01 177.39 1c7m h ASP 88 N 0.53 -0.74 -0.53 1.42 3.32 -1.84 -1.37 116.42 117.21 1c7m h ASP 88 Ca 0.29 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 1c7m h ASP 88 Cb 0.46 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 1c7m h ASP 88 CO -0.09 -0.42 0.16 0.08 -1.72 0.00 0.00 179.24 177.26 1c7m h ARG 89 N -1.05 0.83 -0.45 3.56 -0.00 -1.63 -1.92 114.38 113.72 1c7m h ARG 89 Ca -0.09 -0.18 0.06 0.00 -0.00 0.00 0.00 59.98 59.77 1c7m h ARG 89 Cb 0.71 -0.12 -0.05 0.00 -0.00 0.00 0.00 29.97 30.51 1c7m h ARG 89 CO 0.15 0.76 0.16 0.00 -0.00 0.00 0.00 179.97 181.04 1c7m h ALA 90 N 1.03 0.54 -0.60 0.08 0.00 -1.41 -0.66 119.26 118.24 1c7m h ALA 90 Ca 0.17 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1c7m h ALA 90 Cb 0.28 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1c7m h ALA 90 CO -0.01 -0.22 0.27 -0.91 0.00 0.00 0.00 179.25 178.38 1c7m h ASN 91 N 0.34 0.80 -0.43 0.00 2.35 -1.29 -1.56 115.58 115.78 1c7m h ASN 91 Ca 0.21 -0.15 0.08 0.00 -0.55 0.00 0.00 56.30 55.89 1c7m h ASN 91 Cb 0.20 -0.21 -0.07 0.00 0.05 0.00 0.00 38.32 38.29 1c7m h ASN 91 CO -0.21 0.73 0.01 0.25 -1.65 0.00 0.00 177.43 176.56 1c7m h LEU 92 N 0.82 -0.16 -0.31 1.61 7.12 -1.26 -0.69 115.31 122.44 1c7m h LEU 92 Ca 0.20 0.10 0.05 0.00 0.13 0.00 0.00 57.88 58.36 1c7m h LEU 92 Cb 0.15 0.17 -0.05 0.00 -0.53 0.00 0.00 40.66 40.41 1c7m h LEU 92 CO -0.02 -0.04 0.03 0.40 -0.13 0.00 0.00 178.44 178.67 1c7m h ILE 93 N 0.12 0.81 -0.75 4.05 2.04 -1.04 -2.16 117.51 120.58 1c7m h ILE 93 Ca 0.21 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 66.08 1c7m h ILE 93 Cb 0.31 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1c7m h ILE 93 CO -0.35 0.02 0.45 0.00 0.00 0.00 0.00 178.15 178.28 1c7m h ALA 94 N 1.25 1.01 -0.01 1.87 0.00 -1.16 -1.66 119.26 120.56 1c7m h ALA 94 Ca 0.15 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1c7m h ALA 94 Cb 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1c7m h ALA 94 CO -0.22 0.19 -0.22 -0.92 0.00 0.00 0.00 179.25 178.08 1c7m h TYR 95 N 0.85 -0.64 -0.23 0.00 3.20 -0.95 -3.23 116.97 115.96 1c7m h TYR 95 Ca 0.32 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.21 1c7m h TYR 95 Cb 0.12 0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.68 1c7m h TYR 95 CO -0.05 -0.23 0.00 1.47 -1.64 0.00 0.00 178.16 177.71 1c7m n LEU 96 N -3.70 1.62 -0.04 2.82 -0.00 -0.83 -0.17 117.00 116.70 1c7m n LEU 96 Ca -0.03 -0.74 -0.11 0.00 -0.00 0.00 0.00 56.01 55.12 1c7m n LEU 96 Cb 0.16 -0.15 -0.06 0.00 -0.00 0.00 0.00 43.42 43.37 1c7m n LEU 96 CO 0.05 0.37 0.81 -0.33 -0.00 0.00 0.00 177.39 178.28 1c7m h GLU 97 N 1.95 0.24 0.00 1.47 5.08 -1.41 -3.34 114.58 118.57 1c7m h GLU 97 Ca 0.00 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1c7m h GLU 97 Cb 0.44 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1c7m h GLU 97 CO 0.00 0.38 -0.04 0.78 -1.00 0.00 0.00 179.01 179.13 1c7m h GLY 98 N 0.05 0.00 -7.25 -3.84 0.00 -1.45 -3.44 103.07 87.16 1c7m h GLY 98 Ca 0.05 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.78 1c7m h GLY 98 CO -0.00 0.00 1.17 1.62 0.00 0.00 0.00 176.54 179.33 1c7m s GLN 99 N -1.68 3.43 0.00 4.80 0.74 0.76 -5.07 119.66 122.64 1c7m s GLN 99 Ca -0.03 -0.94 0.20 0.00 0.05 0.00 0.00 55.36 54.64 1c7m s GLN 99 Cb -0.00 -4.84 0.16 0.00 1.10 0.00 0.00 33.01 29.43 1c7m s GLN 99 CO 0.10 -2.08 1.14 1.04 -0.55 0.00 0.00 175.29 174.94