#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 4.05 -3.30 3.04 0.00 -1.26 -2.43 120.51 120.61 1c7m n ALA 2 Ca 0.00 -4.68 -0.39 0.00 0.00 0.00 0.00 53.44 48.36 1c7m n ALA 2 Cb 0.00 -1.43 -0.11 0.00 0.00 0.00 0.00 19.45 17.91 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 -1.40 5.54 0.41 0.00 1.01 -1.26 -4.88 116.67 116.09 1c7m s ASP 3 Ca 0.32 -1.46 0.15 0.00 0.71 0.00 0.00 52.55 52.27 1c7m s ASP 3 Cb 0.03 -1.95 0.88 0.00 1.01 0.00 0.00 42.92 42.89 1c7m s ASP 3 CO -0.06 -0.49 1.90 1.55 0.21 0.00 0.00 175.17 178.28 1c7m h PRO 4 N 8.34 0.00 0.00 8.23 0.13 -1.86 -1.60 132.00 145.24 1c7m h PRO 4 Ca -0.22 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 1c7m h PRO 4 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1c7m h PRO 4 CO 0.72 0.29 -0.09 0.00 -0.23 0.00 0.00 178.00 178.68 1c7m h ALA 5 N 1.71 1.16 0.10 -0.56 0.00 -1.95 -2.48 119.26 117.24 1c7m h ALA 5 Ca -0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.55 1c7m h ALA 5 Cb 0.53 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1c7m h ALA 5 CO 0.04 0.12 -1.27 0.00 0.00 0.00 0.00 179.25 178.13 1c7m h ALA 6 N 1.91 0.20 0.00 0.00 0.00 -1.78 -3.39 119.26 116.20 1c7m h ALA 6 Ca -0.00 -0.96 -0.01 0.00 0.00 0.00 0.00 54.91 53.95 1c7m h ALA 6 Cb 0.37 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1c7m h ALA 6 CO 0.01 1.08 -0.03 0.78 0.00 0.00 0.00 179.25 181.10 1c7m h GLY 7 N 1.95 0.00 0.93 0.00 0.00 -1.02 -2.39 103.07 102.54 1c7m h GLY 7 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 1c7m h GLY 7 CO 0.18 0.00 0.14 1.05 0.00 0.00 0.00 176.54 177.91 1c7m h GLU 8 N 0.00 0.49 -0.05 4.80 -0.00 -1.64 -0.25 114.58 117.92 1c7m h GLU 8 Ca -0.00 -0.08 -0.16 0.00 -0.00 0.00 0.00 59.36 59.11 1c7m h GLU 8 Cb 0.13 -0.08 -0.01 0.00 -0.00 0.00 0.00 28.75 28.79 1c7m h GLU 8 CO 0.00 0.47 -0.70 1.57 -0.00 0.00 0.00 179.01 180.36 1c7m h LYS 9 N 0.39 0.24 -0.69 1.06 2.10 -1.77 -3.19 116.57 114.71 1c7m h LYS 9 Ca 0.11 -0.19 0.02 0.00 -2.00 0.00 0.00 60.65 58.59 1c7m h LYS 9 Cb 0.16 0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 31.49 1c7m h LYS 9 CO -0.01 0.84 0.44 0.28 -2.00 0.00 0.00 179.45 179.00 1c7m h VAL 10 N 0.16 1.12 -0.17 0.07 2.07 -1.46 -3.02 116.25 115.03 1c7m h VAL 10 Ca -0.02 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.25 1c7m h VAL 10 Cb 1.25 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1c7m h VAL 10 CO 0.11 0.16 0.38 0.15 0.02 0.00 0.00 177.57 178.39 1c7m h PHE 11 N 0.88 0.00 -0.64 1.57 3.57 -1.02 -2.56 116.94 118.74 1c7m h PHE 11 Ca 0.27 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.95 1c7m h PHE 11 Cb -0.03 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1c7m h PHE 11 CO -0.04 0.00 0.48 0.78 -2.23 0.00 0.00 178.31 177.30 1c7m h GLY 12 N 0.00 0.00 1.94 2.40 0.00 -1.58 0.23 103.07 106.06 1c7m h GLY 12 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.32 1c7m h GLY 12 CO -0.00 0.00 -0.42 0.50 0.00 0.00 0.00 176.54 176.62 1c7m h LYS 13 N 0.00 0.07 0.05 4.80 1.57 -1.67 -3.33 116.57 118.05 1c7m h LYS 13 Ca 0.30 -0.03 -0.27 0.00 -1.87 0.00 0.00 60.65 58.78 1c7m h LYS 13 Cb 1.26 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.54 1c7m h LYS 13 CO -0.00 0.48 -1.40 0.00 -0.57 0.00 0.00 179.45 177.96 1c7m h LYS 15 N 0.03 0.00 -0.28 0.00 2.10 -1.12 -1.71 116.57 115.58 1c7m h LYS 15 Ca -0.18 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.47 1c7m h LYS 15 Cb 1.93 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.25 1c7m h LYS 15 CO 0.13 0.07 0.14 0.00 -2.00 0.00 0.00 179.45 177.79 1c7m h ALA 16 N 1.93 1.72 0.06 0.07 0.00 -1.84 -3.30 119.26 117.89 1c7m h ALA 16 Ca -0.00 -0.06 -0.35 0.00 0.00 0.00 0.00 54.91 54.50 1c7m h ALA 16 Cb 0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1c7m h ALA 16 CO 0.01 0.24 -1.96 0.00 0.00 0.00 0.00 179.25 177.53 1c7m s HIS 18 N -2.50 2.81 0.14 0.00 3.76 -0.68 -0.93 115.29 117.90 1c7m s HIS 18 Ca -0.28 -0.09 0.06 0.00 -0.15 0.00 0.00 55.06 54.60 1c7m s HIS 18 Cb 0.08 -1.67 -0.04 0.00 1.11 0.00 0.00 32.58 32.06 1c7m s HIS 18 CO 0.66 0.24 0.04 0.15 -0.85 0.00 0.00 174.74 174.99 1c7m s LYS 19 N -0.74 2.61 -0.32 1.40 -0.14 -1.08 -4.27 119.74 117.20 1c7m s LYS 19 Ca 0.11 -0.93 0.10 0.00 -1.36 0.00 0.00 55.97 53.89 1c7m s LYS 19 Cb -0.11 -2.52 0.65 0.00 -1.68 0.00 0.00 37.83 34.18 1c7m s LYS 19 CO 0.01 0.50 1.70 1.28 -0.76 0.00 0.00 175.35 178.08 1c7m n LEU 20 N 0.10 5.46 -3.16 3.17 4.77 -1.26 -2.06 117.00 124.01 1c7m n LEU 20 Ca -0.10 -3.38 -0.21 0.00 -0.03 0.00 0.00 56.01 52.29 1c7m n LEU 20 Cb 0.54 -0.71 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 1c7m n LEU 20 CO 0.40 0.93 -0.17 0.47 -1.33 0.00 0.00 177.39 177.69 1c7m n ASP 21 N -0.60 1.42 0.00 -1.43 8.00 -1.26 -4.63 116.55 118.05 1c7m n ASP 21 Ca 0.40 -3.08 0.00 0.00 0.71 0.00 0.00 54.79 52.82 1c7m n ASP 21 Cb 1.29 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 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 0.41 0.71 3.81 0.44 0.00 -1.26 -4.94 105.19 104.35 1c7m n GLY 22 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 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 5.07 0.00 1.61 0.01 -1.26 -4.72 114.94 115.65 1c7m s ASN 23 Ca 0.00 1.54 0.00 0.00 -0.71 0.00 0.00 52.86 53.69 1c7m s ASN 23 Cb 0.00 -2.37 0.00 0.00 0.41 0.00 0.00 41.25 39.29 1c7m s ASN 23 CO 0.00 -1.63 0.00 0.47 -1.51 0.00 0.00 177.10 174.43 1c7m n ASP 24 N -3.24 0.00 0.00 -1.22 8.00 -1.26 -4.07 116.55 114.76 1c7m n ASP 24 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1c7m n ASP 24 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 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 2.99 0.41 0.10 0.44 0.00 -1.26 -2.63 105.19 105.23 1c7m n GLY 25 Ca 0.00 -1.20 -0.20 0.00 0.00 0.00 0.00 46.02 44.62 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 0.94 -2.66 1.61 2.07 -1.29 -3.49 116.25 113.44 1c7m h VAL 26 Ca 0.00 -2.11 -0.45 0.00 0.82 0.00 0.00 66.70 64.96 1c7m h VAL 26 Cb 0.00 2.18 0.06 0.00 -1.52 0.00 0.00 31.29 32.01 1c7m h VAL 26 CO 0.00 0.32 0.05 -0.83 0.02 0.00 0.00 177.57 177.13 1c7m s GLY 27 N -4.74 1.79 1.06 2.17 0.00 -0.59 -5.02 107.32 101.99 1c7m s GLY 27 Ca -0.27 -1.36 -0.13 0.00 0.00 0.00 0.00 44.72 42.97 1c7m s GLY 27 CO 0.57 -0.97 1.07 2.56 0.00 0.00 0.00 173.10 176.33 1c7m s PRO 28 N -4.96 -0.10 0.01 2.90 0.04 -1.26 -4.60 135.00 127.02 1c7m s PRO 28 Ca 0.60 0.53 -0.30 0.00 0.04 0.00 0.00 61.00 61.87 1c7m s PRO 28 Cb -0.09 -1.67 -0.06 0.00 0.04 0.00 0.00 34.50 32.71 1c7m s PRO 28 CO 0.41 -3.10 1.51 -3.38 0.04 0.00 0.00 177.00 172.48 1c7m s HIS 29 N -2.84 2.61 -2.29 0.56 -3.43 -1.26 -4.35 115.29 104.29 1c7m s HIS 29 Ca 0.66 0.59 0.20 0.00 -0.80 0.00 0.00 55.06 55.72 1c7m s HIS 29 Cb -0.20 -3.78 0.59 0.00 -1.43 0.00 0.00 32.58 27.76 1c7m s HIS 29 CO 0.59 -3.04 1.47 1.28 -2.00 0.00 0.00 174.74 173.04 1c7m n LEU 30 N 5.70 2.30 -4.60 5.38 4.77 -0.88 -4.86 117.00 124.82 1c7m n LEU 30 Ca 0.15 -1.00 -0.43 0.00 -0.03 0.00 0.00 56.01 54.69 1c7m n LEU 30 Cb 0.43 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1c7m n LEU 30 CO 0.60 0.50 1.46 0.54 -1.33 0.00 0.00 177.39 179.16 1c7m s ASN 31 N -1.45 6.02 0.00 -1.43 4.22 -1.26 -2.39 114.94 118.65 1c7m s ASN 31 Ca 0.34 1.21 0.00 0.00 -2.14 0.00 0.00 52.86 52.27 1c7m s ASN 31 Cb 0.19 -2.53 0.00 0.00 1.28 0.00 0.00 41.25 40.19 1c7m s ASN 31 CO 0.27 -1.62 0.00 0.61 -2.04 0.00 0.00 177.10 174.31 1c7m n GLY 32 N 5.32 0.69 0.10 0.45 0.00 -0.42 -4.77 105.19 106.56 1c7m n GLY 32 Ca 0.21 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 1.54 -3.07 1.61 3.04 -1.67 -3.38 116.25 114.31 1c7m h VAL 33 Ca 0.00 -3.07 -0.57 0.00 -1.01 0.00 0.00 66.70 62.05 1c7m h VAL 33 Cb 0.97 2.87 -0.04 0.00 -2.01 0.00 0.00 31.29 33.08 1c7m h VAL 33 CO 0.00 0.89 1.14 -0.69 -1.01 0.00 0.00 177.57 177.90 1c7m s VAL 34 N -2.74 3.76 0.00 1.51 1.01 -1.26 -1.72 120.40 120.96 1c7m s VAL 34 Ca -0.03 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.73 1c7m s VAL 34 Cb 0.08 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1c7m s VAL 34 CO 0.87 -0.63 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1c7m n GLY 35 N 5.18 2.74 3.79 4.51 0.00 0.55 -4.95 105.19 117.01 1c7m n GLY 35 Ca 0.19 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 3.02 0.62 1.61 3.52 -0.70 -4.37 118.95 122.65 1c7m s ARG 36 Ca 0.00 1.28 -0.18 0.00 -0.13 0.00 0.00 55.73 56.70 1c7m s ARG 36 Cb 0.00 -1.99 -0.05 0.00 -1.56 0.00 0.00 34.95 31.36 1c7m s ARG 36 CO 0.00 -1.06 0.88 -2.37 -0.81 0.00 0.00 175.30 171.94 1c7m n THR 37 N -2.31 3.42 -2.34 4.11 5.66 -1.26 -0.36 114.28 121.20 1c7m n THR 37 Ca 0.09 -0.49 -0.42 0.00 -3.05 0.00 0.00 64.05 60.19 1c7m n THR 37 Cb 0.52 -1.05 -0.03 0.00 -1.55 0.00 0.00 70.33 68.22 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 -1.59 3.83 -0.90 1.08 1.01 -0.28 -2.11 120.40 121.44 1c7m s VAL 38 Ca 0.75 1.30 0.00 0.00 0.00 0.00 0.00 61.98 64.03 1c7m s VAL 38 Cb -0.41 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1c7m s VAL 38 CO 0.48 0.09 0.00 0.00 0.00 0.00 0.00 175.10 175.67 1c7m n ALA 39 N 4.09 -0.30 -2.10 5.51 0.00 -1.26 -3.81 120.51 122.65 1c7m n ALA 39 Ca 0.10 0.09 -0.39 0.00 0.00 0.00 0.00 53.44 53.24 1c7m n ALA 39 Cb 0.45 -1.34 -0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.04 5.37 2.56 0.00 0.00 -0.89 -4.72 105.19 106.47 1c7m n GLY 40 Ca -0.12 -2.19 -0.28 0.00 0.00 0.00 0.00 46.02 43.43 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 -2.27 -0.09 -0.59 1.61 1.01 -1.26 -4.92 120.40 113.89 1c7m s VAL 41 Ca 0.51 -0.69 -0.27 0.00 0.00 0.00 0.00 61.98 61.53 1c7m s VAL 41 Cb 0.22 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.66 1c7m s VAL 41 CO -0.13 -0.67 1.57 -1.81 0.00 0.00 0.00 175.10 174.06 1c7m s ASP 42 N 2.12 5.83 0.00 3.32 1.01 -1.26 -2.36 116.67 125.33 1c7m s ASP 42 Ca 0.08 0.28 0.00 0.00 0.71 0.00 0.00 52.55 53.62 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 -0.34 -1.95 0.00 0.61 0.21 0.00 0.00 175.17 173.70 1c7m n GLY 43 N 5.44 4.00 3.75 0.21 0.00 -1.26 -5.14 105.19 112.18 1c7m n GLY 43 Ca 0.14 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 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 3.82 -0.93 1.61 5.36 -1.00 -5.02 117.98 121.83 1c7m s PHE 44 Ca 0.00 1.83 -0.24 0.00 -0.96 0.00 0.00 56.93 57.56 1c7m s PHE 44 Cb 0.00 -3.10 0.04 0.00 -0.34 0.00 0.00 43.02 39.62 1c7m s PHE 44 CO 0.00 0.05 1.44 1.21 -1.46 0.00 0.00 175.22 176.46 1c7m s ASN 45 N -1.03 6.32 0.42 6.13 3.84 -1.26 -4.97 114.94 124.39 1c7m s ASN 45 Ca 0.43 -1.11 -0.14 0.00 0.21 0.00 0.00 52.86 52.25 1c7m s ASN 45 Cb -0.28 -2.57 -0.08 0.00 -0.55 0.00 0.00 41.25 37.77 1c7m s ASN 45 CO 0.36 -1.68 0.84 -0.31 -2.79 0.00 0.00 177.10 173.52 1c7m s TYR 46 N 5.51 3.44 0.68 0.43 2.02 -1.26 -5.08 117.35 123.09 1c7m s TYR 46 Ca 0.45 1.23 -0.16 0.00 -0.37 0.00 0.00 57.07 58.22 1c7m s TYR 46 Cb -0.03 -2.58 0.01 0.00 -0.40 0.00 0.00 41.96 38.96 1c7m s TYR 46 CO -0.02 -0.14 1.18 -1.54 -1.57 0.00 0.00 175.55 173.45 1c7m s SER 47 N -2.91 4.64 0.17 2.29 1.04 -1.26 -4.86 113.70 112.81 1c7m s SER 47 Ca 0.55 2.26 -0.14 0.00 0.48 0.00 0.00 55.95 59.09 1c7m s SER 47 Cb -0.10 -2.58 0.14 0.00 0.10 0.00 0.00 66.02 63.58 1c7m s SER 47 CO 0.28 -1.96 1.72 0.44 0.98 0.00 0.00 173.24 174.70 1c7m h ASP 48 N 0.02 0.01 0.49 7.02 3.32 -1.98 -2.40 116.42 122.90 1c7m h ASP 48 Ca -0.48 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.60 1c7m h ASP 48 Cb 1.28 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.93 1c7m h ASP 48 CO 0.52 0.04 -0.20 1.55 -1.72 0.00 0.00 179.24 179.42 1c7m h PRO 49 N 0.22 0.00 0.01 3.56 0.13 -1.87 -1.41 132.00 132.64 1c7m h PRO 49 Ca 0.22 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1c7m h PRO 49 Cb 0.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.40 1c7m h PRO 49 CO -0.28 0.20 -0.01 1.98 -0.23 0.00 0.00 178.00 179.67 1c7m h MET 50 N 0.00 -0.01 -0.81 0.86 4.05 -1.85 -2.41 114.93 114.76 1c7m h MET 50 Ca -0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1c7m h MET 50 Cb 0.50 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.27 1c7m h MET 50 CO 0.03 0.34 0.43 0.87 0.23 0.00 0.00 176.91 178.81 1c7m h LYS 51 N -0.37 1.13 0.00 0.39 1.79 -1.44 -3.06 116.57 115.01 1c7m h LYS 51 Ca -0.00 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 1c7m h LYS 51 Cb 0.36 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1c7m h LYS 51 CO 0.00 0.84 -0.05 0.00 -1.08 0.00 0.00 179.45 179.16 1c7m h ALA 52 N 1.23 1.27 0.51 3.86 0.00 -1.33 -3.28 119.26 121.52 1c7m h ALA 52 Ca 0.28 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1c7m h ALA 52 Cb 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1c7m h ALA 52 CO -0.04 0.07 -0.25 1.25 0.00 0.00 0.00 179.25 180.28 1c7m h HIS 53 N 0.00 -0.64 0.00 0.00 -0.00 -1.32 -3.49 115.15 109.70 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 0.19 0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.81 1c7m h HIS 53 CO 0.00 -0.40 0.00 0.41 -0.00 0.00 0.00 177.93 177.94 1c7m n GLY 54 N -0.45 2.66 7.00 5.26 0.00 -1.23 -4.94 105.19 113.49 1c7m n GLY 54 Ca -0.09 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 3.71 3.34 -0.02 0.00 -1.26 -1.12 105.19 109.84 1c7m n GLY 55 Ca 0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.37 -1.19 1.61 1.11 -1.26 -4.11 116.67 108.45 1c7m s ASP 56 Ca 0.00 0.37 -0.18 0.00 0.18 0.00 0.00 52.55 52.92 1c7m s ASP 56 Cb 0.00 0.44 0.10 0.00 1.07 0.00 0.00 42.92 44.53 1c7m s ASP 56 CO 0.00 -0.48 1.56 0.26 1.18 0.00 0.00 175.17 177.69 1c7m s TRP 57 N -1.16 2.94 0.70 4.23 0.23 0.52 -4.78 118.94 121.62 1c7m s TRP 57 Ca -0.12 -1.59 -0.13 0.00 -2.03 0.00 0.00 56.10 52.23 1c7m s TRP 57 Cb -0.03 -4.60 0.02 0.00 0.03 0.00 0.00 33.47 28.89 1c7m s TRP 57 CO 0.06 -1.70 1.09 0.95 0.96 0.00 0.00 176.95 178.31 1c7m s THR 58 N 3.57 3.42 -0.19 2.01 -4.23 -1.26 -0.33 115.64 118.64 1c7m s THR 58 Ca 0.48 0.56 0.00 0.00 -1.18 0.00 0.00 61.69 61.55 1c7m s THR 58 Cb 0.01 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1c7m s THR 58 CO 0.01 -0.51 0.40 -0.81 -0.54 0.00 0.00 174.62 173.18 1c7m n PRO 59 N -2.88 0.45 0.00 3.99 -0.04 -1.26 -1.75 135.00 133.50 1c7m n PRO 59 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1c7m n PRO 59 Cb 0.53 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.68 0.00 -0.19 0.54 2.13 -1.26 -4.56 120.64 117.99 1c7m n GLU 60 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1c7m n GLU 60 Cb 0.20 -0.35 0.09 0.00 0.27 0.00 0.00 31.44 31.65 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 0.72 -0.46 4.31 0.00 -1.90 -2.36 119.26 119.58 1c7m h ALA 61 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1c7m h ALA 61 Cb 0.53 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1c7m h ALA 61 CO 0.00 -0.17 0.30 -0.07 0.00 0.00 0.00 179.25 179.31 1c7m h LEU 62 N 0.42 0.42 -1.00 0.00 3.38 -1.66 -0.49 115.31 116.38 1c7m h LEU 62 Ca 0.28 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 1c7m h LEU 62 Cb 0.30 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1c7m h LEU 62 CO -0.26 0.29 0.06 1.56 0.09 0.00 0.00 178.44 180.18 1c7m h GLN 63 N 0.48 0.79 0.10 1.13 1.08 -1.67 0.12 115.11 117.14 1c7m h GLN 63 Ca 0.19 -0.18 -0.17 0.00 -1.45 0.00 0.00 58.65 57.03 1c7m h GLN 63 Cb 0.15 -0.11 0.02 0.00 -0.05 0.00 0.00 27.48 27.49 1c7m h GLN 63 CO -0.05 0.75 -0.73 1.49 -0.95 0.00 0.00 178.83 179.35 1c7m h GLU 64 N 0.75 0.32 -0.59 1.46 4.81 -1.46 -3.35 114.58 116.52 1c7m h GLU 64 Ca 0.16 -0.47 -0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1c7m h GLU 64 Cb 0.36 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1c7m h GLU 64 CO 0.01 1.19 0.35 0.35 -0.73 0.00 0.00 179.01 180.18 1c7m h PHE 65 N -0.32 0.78 0.00 0.92 3.57 -1.08 0.98 116.94 121.78 1c7m h PHE 65 Ca -0.12 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 1c7m h PHE 65 Cb 1.53 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 40.01 1c7m h PHE 65 CO 0.19 0.54 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.70 1c7m h LEU 66 N 0.79 0.00 0.00 0.59 3.38 -0.96 -1.36 115.31 117.75 1c7m h LEU 66 Ca 0.21 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.99 1c7m h LEU 66 Cb -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1c7m h LEU 66 CO -0.04 0.03 -1.36 0.74 0.09 0.00 0.00 178.44 177.90 1c7m h THR 67 N 0.00 0.70 -2.03 0.22 2.02 -1.63 0.15 112.91 112.34 1c7m h THR 67 Ca -0.00 -2.29 -0.56 0.00 0.77 0.00 0.00 66.41 64.33 1c7m h THR 67 Cb 0.12 2.22 -0.40 0.00 -1.74 0.00 0.00 68.15 68.35 1c7m h THR 67 CO 0.00 0.40 -1.03 0.59 0.37 0.00 0.00 175.52 175.85 1c7m n ASN 68 N -2.99 0.83 0.13 4.18 3.02 0.32 -4.23 115.26 116.51 1c7m n ASN 68 Ca -0.10 -2.84 -0.14 0.00 -0.03 0.00 0.00 54.58 51.47 1c7m n ASN 68 Cb 0.89 -0.64 -0.08 0.00 -0.61 0.00 0.00 39.78 39.34 1c7m n ASN 68 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1c7m h PRO 69 N 3.95 -0.28 -1.28 3.52 0.11 -1.49 -0.86 132.00 135.67 1c7m h PRO 69 Ca 0.09 0.02 -0.15 0.00 0.11 0.00 0.00 66.00 66.07 1c7m h PRO 69 Cb 0.85 0.06 -0.08 0.00 0.11 0.00 0.00 31.00 31.94 1c7m h PRO 69 CO 0.53 -0.09 0.20 0.36 -0.21 0.00 0.00 178.00 178.79 1c7m n LYS 70 N -5.16 1.38 0.00 1.05 2.85 -1.26 -1.95 118.16 115.07 1c7m n LYS 70 Ca -0.09 -0.83 0.00 0.00 -1.05 0.00 0.00 58.31 56.34 1c7m n LYS 70 Cb 0.18 -1.33 0.00 0.00 -0.65 0.00 0.00 35.03 33.23 1c7m n LYS 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1c7m n ALA 71 N 0.36 2.09 0.16 0.58 0.00 -1.04 -4.20 120.51 118.46 1c7m n ALA 71 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.47 1c7m n ALA 71 Cb 0.71 0.10 -0.08 0.00 0.00 0.00 0.00 19.45 20.18 1c7m n ALA 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1c7m h VAL 72 N 0.00 0.72 -3.35 0.00 2.07 -1.30 -3.37 116.25 111.02 1c7m h VAL 72 Ca 0.00 -0.51 -0.76 0.00 0.82 0.00 0.00 66.70 66.25 1c7m h VAL 72 Cb 0.19 0.99 -0.31 0.00 -1.52 0.00 0.00 31.29 30.64 1c7m h VAL 72 CO 0.00 0.10 0.25 0.52 0.02 0.00 0.00 177.57 178.46 1c7m n VAL 73 N -5.15 4.00 -1.87 2.57 0.31 -0.82 -5.06 118.33 112.30 1c7m n VAL 73 Ca -0.10 -5.34 -0.43 0.00 -0.01 0.00 0.00 64.34 58.47 1c7m n VAL 73 Cb 0.25 -2.44 -0.03 0.00 -0.91 0.00 0.00 33.84 30.72 1c7m n VAL 73 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1c7m s LYS 74 N -1.54 3.72 0.00 5.55 0.00 -1.26 -2.06 119.74 124.14 1c7m s LYS 74 Ca 0.30 2.00 0.00 0.00 0.00 0.00 0.00 55.97 58.27 1c7m s LYS 74 Cb -0.06 -4.15 0.00 0.00 0.00 0.00 0.00 37.83 33.61 1c7m s LYS 74 CO -0.08 -1.41 0.00 0.41 0.00 0.00 0.00 175.35 174.28 1c7m n GLY 75 N 4.90 1.04 3.78 0.59 0.00 -1.26 -4.81 105.19 109.43 1c7m n GLY 75 Ca 0.22 -0.51 -0.36 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 -2.00 3.25 -2.00 2.61 -1.32 -0.88 -4.68 115.64 110.62 1c7m s THR 76 Ca 0.00 0.85 0.00 0.00 -1.21 0.00 0.00 61.69 61.33 1c7m s THR 76 Cb 0.00 -3.39 0.00 0.00 -1.51 0.00 0.00 72.50 67.60 1c7m s THR 76 CO 0.00 -0.09 0.66 0.29 -2.21 0.00 0.00 174.62 173.27 1c7m n LYS 77 N -0.84 0.66 -2.62 7.08 5.02 -1.26 -4.74 118.16 121.45 1c7m n LYS 77 Ca 0.09 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.96 1c7m n LYS 77 Cb 0.50 -1.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.48 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 3.37 -1.38 1.97 1.75 -1.26 -4.96 119.30 116.79 1c7m s MET 78 Ca 0.00 -0.03 -0.15 0.00 -1.25 0.00 0.00 55.69 54.26 1c7m s MET 78 Cb 0.00 -4.08 0.02 0.00 2.84 0.00 0.00 34.83 33.61 1c7m s MET 78 CO 0.00 -1.81 2.16 0.00 -0.65 0.00 0.00 175.02 174.71 1c7m n ALA 79 N 8.57 5.13 -3.59 4.11 0.00 -1.26 -4.78 120.51 128.69 1c7m n ALA 79 Ca 0.05 -3.82 -0.14 0.00 0.00 0.00 0.00 53.44 49.53 1c7m n ALA 79 Cb 0.49 -3.55 -0.15 0.00 0.00 0.00 0.00 19.45 16.23 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 3.53 0.01 -0.05 0.00 5.36 -1.26 -5.10 117.98 120.48 1c7m s PHE 80 Ca 0.49 0.13 -0.23 0.00 -0.96 0.00 0.00 56.93 56.36 1c7m s PHE 80 Cb 0.13 -0.18 -0.28 0.00 -0.34 0.00 0.00 43.02 42.35 1c7m s PHE 80 CO -0.05 -0.08 0.94 0.00 -1.46 0.00 0.00 175.22 174.57 1c7m h ALA 81 N 7.06 -0.03 0.00 11.12 0.00 -1.95 -3.42 119.26 132.04 1c7m h ALA 81 Ca -0.41 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1c7m h ALA 81 Cb 1.14 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1c7m h ALA 81 CO 0.48 0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.43 1c7m n GLY 82 N 1.46 4.25 3.73 0.00 0.00 -1.26 -4.52 105.19 108.85 1c7m n GLY 82 Ca -0.12 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 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 4.47 -0.14 0.99 1.43 0.53 -4.90 118.68 121.06 1c7m s LEU 83 Ca 0.00 1.86 -0.19 0.00 -1.03 0.00 0.00 54.13 54.77 1c7m s LEU 83 Cb 0.00 -3.59 -0.17 0.00 0.03 0.00 0.00 46.19 42.46 1c7m s LEU 83 CO 0.00 -0.15 0.43 1.55 0.23 0.00 0.00 176.35 178.40 1c7m h PRO 84 N 5.72 0.00 -6.45 1.29 0.13 -1.94 -3.37 132.00 127.38 1c7m h PRO 84 Ca -0.43 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.16 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 0.73 0.67 0.07 0.15 -0.23 0.00 0.00 178.00 179.39 1c7m s LYS 85 N -2.07 4.28 0.34 0.86 1.02 -1.26 -5.00 119.74 117.90 1c7m s LYS 85 Ca -0.15 0.86 0.01 0.00 0.02 0.00 0.00 55.97 56.71 1c7m s LYS 85 Cb -0.01 -3.06 0.58 0.00 -0.52 0.00 0.00 37.83 34.83 1c7m s LYS 85 CO 0.46 0.50 2.00 0.97 -0.92 0.00 0.00 175.35 178.36 1c7m h ILE 86 N 3.07 1.18 0.00 2.17 -0.00 -1.98 -2.47 117.51 119.47 1c7m h ILE 86 Ca -0.48 -0.33 -0.03 0.00 -0.00 0.00 0.00 64.86 64.01 1c7m h ILE 86 Cb 1.20 0.18 -0.00 0.00 -0.00 0.00 0.00 36.82 38.20 1c7m h ILE 86 CO 0.65 0.17 -0.16 1.05 -0.00 0.00 0.00 178.15 179.86 1c7m h GLU 87 N 0.92 0.00 0.48 2.19 -0.00 -1.95 -1.19 114.58 115.04 1c7m h GLU 87 Ca 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.58 1c7m h GLU 87 Cb -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.66 1c7m h GLU 87 CO -0.05 0.16 -0.23 0.22 -0.00 0.00 0.00 179.01 179.11 1c7m h ASP 88 N 0.00 -0.55 -0.48 3.06 1.82 -1.74 -1.65 116.42 116.89 1c7m h ASP 88 Ca -0.00 -0.07 -0.06 0.00 -0.39 0.00 0.00 57.03 56.51 1c7m h ASP 88 Cb 0.31 0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.44 1c7m h ASP 88 CO 0.02 -0.16 0.10 0.08 -1.61 0.00 0.00 179.24 177.67 1c7m h ARG 89 N -1.02 0.84 -0.74 0.28 0.11 -1.65 -2.75 114.38 109.46 1c7m h ARG 89 Ca -0.07 -0.18 -0.01 0.00 0.10 0.00 0.00 59.98 59.82 1c7m h ARG 89 Cb 0.59 -0.12 -0.04 0.00 1.11 0.00 0.00 29.97 31.51 1c7m h ARG 89 CO 0.11 0.77 0.44 0.00 0.10 0.00 0.00 179.97 181.39 1c7m h ALA 90 N 1.31 0.94 -0.08 0.08 0.00 -1.28 0.14 119.26 120.37 1c7m h ALA 90 Ca 0.17 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1c7m h ALA 90 Cb 0.34 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1c7m h ALA 90 CO 0.00 0.42 -0.12 -0.91 0.00 0.00 0.00 179.25 178.65 1c7m h ASN 91 N 1.01 -0.37 -0.21 0.00 2.35 -0.95 -1.29 115.58 116.13 1c7m h ASN 91 Ca 0.26 0.07 0.05 0.00 -0.55 0.00 0.00 56.30 56.13 1c7m h ASN 91 Cb -0.02 0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.48 1c7m h ASN 91 CO -0.05 -0.16 -0.10 0.25 -1.65 0.00 0.00 177.43 175.72 1c7m h LEU 92 N -0.16 -0.32 -0.68 1.61 6.46 -1.42 -2.27 115.31 118.52 1c7m h LEU 92 Ca 0.07 0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.92 1c7m h LEU 92 Cb 0.27 0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.34 1c7m h LEU 92 CO -0.18 -0.13 0.45 0.40 -0.62 0.00 0.00 178.44 178.36 1c7m h ILE 93 N -0.07 1.17 -0.69 4.05 2.04 -0.69 0.16 117.51 123.48 1c7m h ILE 93 Ca 0.11 -0.32 0.10 0.00 1.00 0.00 0.00 64.86 65.75 1c7m h ILE 93 Cb 0.24 0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 36.41 1c7m h ILE 93 CO -0.25 0.17 0.32 0.00 0.00 0.00 0.00 178.15 178.38 1c7m h ALA 94 N 1.25 0.94 -0.32 1.87 0.00 -1.22 -1.21 119.26 120.58 1c7m h ALA 94 Ca 0.25 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1c7m h ALA 94 Cb -0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1c7m h ALA 94 CO -0.06 -0.10 0.19 -0.92 0.00 0.00 0.00 179.25 178.36 1c7m h TYR 95 N 0.53 0.42 0.00 0.00 3.20 -1.03 -2.99 116.97 117.10 1c7m h TYR 95 Ca 0.35 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.22 1c7m h TYR 95 Cb 0.40 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 1c7m h TYR 95 CO -0.13 0.30 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.62 1c7m h LEU 96 N 0.41 0.00 0.05 2.82 3.38 -0.78 -0.72 115.31 120.46 1c7m h LEU 96 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1c7m h LEU 96 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1c7m h LEU 96 CO -0.02 0.00 -0.02 -0.33 0.09 0.00 0.00 178.44 178.16 1c7m h GLU 97 N 0.00 -0.06 0.00 1.13 5.08 -1.18 -3.35 114.58 116.20 1c7m h GLU 97 Ca -0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1c7m h GLU 97 Cb 0.01 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1c7m h GLU 97 CO 0.00 0.18 -0.34 0.78 -1.00 0.00 0.00 179.01 178.63 1c7m h GLY 98 N -0.30 0.00 -7.16 -3.84 0.00 -1.34 -3.42 103.07 87.01 1c7m h GLY 98 Ca -0.01 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.69 1c7m h GLY 98 CO 0.01 0.00 0.39 1.20 0.00 0.00 0.00 176.54 178.14 1c7m s GLN 99 N -3.84 3.24 0.00 4.80 -1.52 -0.30 -5.05 119.66 116.98 1c7m s GLN 99 Ca -0.01 -0.55 0.00 0.00 -1.95 0.00 0.00 55.36 52.85 1c7m s GLN 99 Cb 0.12 -4.09 0.00 0.00 -0.22 0.00 0.00 33.01 28.82 1c7m s GLN 99 CO 0.68 -1.43 0.00 0.00 -0.25 0.00 0.00 175.29 174.29