#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 4.67 -3.00 3.04 0.00 -1.26 -2.46 120.51 121.49 1c7m n ALA 2 Ca 0.00 -4.76 -0.41 0.00 0.00 0.00 0.00 53.44 48.27 1c7m n ALA 2 Cb 0.00 -2.00 -0.10 0.00 0.00 0.00 0.00 19.45 17.36 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 -1.31 5.81 0.27 0.00 -1.08 -1.26 -4.97 116.67 114.13 1c7m s ASP 3 Ca 0.32 -1.28 0.09 0.00 -0.52 0.00 0.00 52.55 51.17 1c7m s ASP 3 Cb 0.03 -2.05 0.35 0.00 -1.46 0.00 0.00 42.92 39.79 1c7m s ASP 3 CO 0.03 -0.51 1.61 1.55 0.52 0.00 0.00 175.17 178.37 1c7m h PRO 4 N 8.51 0.05 -0.33 4.34 0.13 -1.88 -1.98 132.00 140.83 1c7m h PRO 4 Ca -0.25 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.79 1c7m h PRO 4 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1c7m h PRO 4 CO 0.76 0.64 -0.02 0.00 -0.23 0.00 0.00 178.00 179.15 1c7m h ALA 5 N 1.35 1.36 -0.10 -0.56 0.00 -1.95 -2.31 119.26 117.06 1c7m h ALA 5 Ca -0.01 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1c7m h ALA 5 Cb 1.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1c7m h ALA 5 CO 0.08 0.44 -0.53 0.00 0.00 0.00 0.00 179.25 179.24 1c7m h ALA 6 N 1.49 0.91 -0.18 0.00 0.00 -1.92 -3.35 119.26 116.21 1c7m h ALA 6 Ca 0.11 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1c7m h ALA 6 Cb 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1c7m h ALA 6 CO 0.01 0.68 -0.13 0.78 0.00 0.00 0.00 179.25 180.60 1c7m h GLY 7 N 1.34 0.31 1.59 0.00 0.00 -0.97 -2.00 103.07 103.35 1c7m h GLY 7 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 1c7m h GLY 7 CO 0.08 0.18 0.10 1.05 0.00 0.00 0.00 176.54 177.95 1c7m h GLU 8 N 0.27 0.53 -0.11 4.80 4.11 -1.58 0.26 114.58 122.87 1c7m h GLU 8 Ca 0.05 -0.08 -0.02 0.00 0.07 0.00 0.00 59.36 59.38 1c7m h GLU 8 Cb 0.39 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1c7m h GLU 8 CO 0.02 0.48 -0.02 0.87 0.07 0.00 0.00 179.01 180.43 1c7m h LYS 9 N 0.52 0.21 -0.69 1.06 1.79 -1.59 -2.90 116.57 114.97 1c7m h LYS 9 Ca 0.12 -0.08 0.02 0.00 -2.18 0.00 0.00 60.65 58.54 1c7m h LYS 9 Cb 0.19 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.79 1c7m h LYS 9 CO -0.01 0.51 0.44 0.28 -1.08 0.00 0.00 179.45 179.59 1c7m h VAL 10 N -0.11 1.11 -0.07 0.50 2.07 -1.39 -2.77 116.25 115.58 1c7m h VAL 10 Ca 0.03 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.27 1c7m h VAL 10 Cb 0.43 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1c7m h VAL 10 CO 0.01 0.16 0.20 0.15 0.02 0.00 0.00 177.57 178.11 1c7m h PHE 11 N 0.86 0.00 -0.43 1.57 3.57 -0.96 -2.86 116.94 118.69 1c7m h PHE 11 Ca 0.27 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.90 1c7m h PHE 11 Cb -0.01 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1c7m h PHE 11 CO -0.04 0.00 0.38 0.78 -2.23 0.00 0.00 178.31 177.20 1c7m h GLY 12 N 0.00 0.00 1.63 2.40 0.00 -1.27 0.07 103.07 105.90 1c7m h GLY 12 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.24 1c7m h GLY 12 CO -0.00 0.00 -0.44 0.50 0.00 0.00 0.00 176.54 176.59 1c7m h LYS 13 N 0.00 0.41 -0.03 4.80 1.57 -1.70 -3.34 116.57 118.27 1c7m h LYS 13 Ca 0.21 -0.21 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 1c7m h LYS 13 Cb 0.95 0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.28 1c7m h LYS 13 CO -0.00 0.78 -0.93 0.00 -0.57 0.00 0.00 179.45 178.72 1c7m h LYS 15 N 0.34 0.00 -0.50 0.00 2.10 -1.17 -0.67 116.57 116.68 1c7m h LYS 15 Ca -0.09 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.53 1c7m h LYS 15 Cb 1.56 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.87 1c7m h LYS 15 CO 0.17 0.02 0.18 0.00 -2.00 0.00 0.00 179.45 177.82 1c7m h ALA 16 N 1.98 1.37 0.13 0.07 0.00 -1.82 -3.33 119.26 117.67 1c7m h ALA 16 Ca -0.00 -0.15 -0.35 0.00 0.00 0.00 0.00 54.91 54.41 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 0.47 -1.87 0.00 0.00 0.00 0.00 179.25 177.85 1c7m s HIS 18 N -2.54 2.48 -0.01 0.00 3.76 -0.33 -0.46 115.29 118.19 1c7m s HIS 18 Ca -0.22 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.38 1c7m s HIS 18 Cb 0.06 -1.51 -0.04 0.00 1.11 0.00 0.00 32.58 32.21 1c7m s HIS 18 CO 0.77 0.11 0.03 0.15 -0.85 0.00 0.00 174.74 174.96 1c7m s LYS 19 N -0.94 2.91 -0.30 1.40 1.02 -1.08 -4.26 119.74 118.49 1c7m s LYS 19 Ca 0.12 -0.55 0.09 0.00 0.02 0.00 0.00 55.97 55.65 1c7m s LYS 19 Cb -0.10 -2.75 0.72 0.00 -0.52 0.00 0.00 37.83 35.17 1c7m s LYS 19 CO 0.01 0.64 1.75 1.28 -0.92 0.00 0.00 175.35 178.11 1c7m n LEU 20 N 1.37 5.87 -3.26 3.17 4.77 -1.26 -1.80 117.00 125.86 1c7m n LEU 20 Ca -0.14 -3.04 -0.25 0.00 -0.03 0.00 0.00 56.01 52.55 1c7m n LEU 20 Cb 0.53 -0.73 -0.07 0.00 -2.33 0.00 0.00 43.42 40.82 1c7m n LEU 20 CO 0.35 0.76 -0.18 0.47 -1.33 0.00 0.00 177.39 177.46 1c7m n ASP 21 N -0.04 1.33 0.00 -1.43 8.00 -1.26 -4.65 116.55 118.50 1c7m n ASP 21 Ca 0.38 -2.94 0.00 0.00 0.71 0.00 0.00 54.79 52.93 1c7m n ASP 21 Cb 1.32 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 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 1.18 1.41 3.87 0.44 0.00 -1.26 -4.94 105.19 105.89 1c7m n GLY 22 Ca 0.24 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 3.69 0.00 1.61 0.01 -1.26 -4.68 114.94 114.31 1c7m s ASN 23 Ca 0.00 0.67 0.00 0.00 -0.71 0.00 0.00 52.86 52.82 1c7m s ASN 23 Cb 0.00 -1.03 0.00 0.00 0.41 0.00 0.00 41.25 40.63 1c7m s ASN 23 CO 0.00 -2.41 0.00 0.47 -1.51 0.00 0.00 177.10 173.65 1c7m n ASP 24 N -3.62 0.00 0.00 -1.22 8.00 -1.26 -3.80 116.55 114.65 1c7m n ASP 24 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1c7m n ASP 24 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 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 2.66 0.36 0.11 0.44 0.00 -1.26 -2.65 105.19 104.85 1c7m n GLY 25 Ca 0.00 -1.32 -0.22 0.00 0.00 0.00 0.00 46.02 44.48 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 0.90 -2.51 1.61 2.07 -1.01 -3.48 116.25 113.82 1c7m h VAL 26 Ca 0.00 -2.19 -0.46 0.00 0.82 0.00 0.00 66.70 64.88 1c7m h VAL 26 Cb 0.00 2.23 0.08 0.00 -1.52 0.00 0.00 31.29 32.08 1c7m h VAL 26 CO 0.00 0.34 0.12 -0.83 0.02 0.00 0.00 177.57 177.21 1c7m s GLY 27 N -4.89 1.77 1.08 2.17 0.00 -0.73 -5.03 107.32 101.68 1c7m s GLY 27 Ca -0.29 -1.54 -0.15 0.00 0.00 0.00 0.00 44.72 42.74 1c7m s GLY 27 CO 0.60 -1.02 1.11 2.56 0.00 0.00 0.00 173.10 176.35 1c7m s PRO 28 N -5.15 -0.20 0.22 2.90 0.04 -1.26 -4.62 135.00 126.94 1c7m s PRO 28 Ca 0.65 0.22 -0.31 0.00 0.04 0.00 0.00 61.00 61.60 1c7m s PRO 28 Cb -0.07 -1.69 -0.10 0.00 0.04 0.00 0.00 34.50 32.68 1c7m s PRO 28 CO 0.44 -3.09 1.53 -3.38 0.04 0.00 0.00 177.00 172.54 1c7m s HIS 29 N -3.05 2.98 -2.61 0.56 -3.43 -1.25 -4.38 115.29 104.11 1c7m s HIS 29 Ca 0.68 0.81 0.22 0.00 -0.80 0.00 0.00 55.06 55.96 1c7m s HIS 29 Cb -0.14 -3.92 0.25 0.00 -1.43 0.00 0.00 32.58 27.34 1c7m s HIS 29 CO 0.56 -3.18 1.25 1.28 -2.00 0.00 0.00 174.74 172.66 1c7m n LEU 30 N 2.98 3.01 -4.56 5.38 4.77 -0.75 -4.78 117.00 123.06 1c7m n LEU 30 Ca 0.10 -1.17 -0.40 0.00 -0.03 0.00 0.00 56.01 54.52 1c7m n LEU 30 Cb 0.39 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1c7m n LEU 30 CO 0.62 0.56 1.46 0.54 -1.33 0.00 0.00 177.39 179.24 1c7m s ASN 31 N -1.70 5.61 0.00 -1.43 4.22 -1.26 -2.59 114.94 117.78 1c7m s ASN 31 Ca 0.29 0.19 0.00 0.00 -2.14 0.00 0.00 52.86 51.20 1c7m s ASN 31 Cb 0.19 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 40.19 1c7m s ASN 31 CO 0.28 -2.15 0.00 0.61 -2.04 0.00 0.00 177.10 173.81 1c7m n GLY 32 N 5.56 0.60 0.10 0.45 0.00 -1.26 -4.85 105.19 105.80 1c7m n GLY 32 Ca 0.15 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 1c7m n GLY 32 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1c7m n VAL 33 N -1.11 1.57 -1.93 1.61 3.14 -1.07 -4.51 118.33 116.02 1c7m n VAL 33 Ca 0.00 -0.77 -0.42 0.00 -2.96 0.00 0.00 64.34 60.19 1c7m n VAL 33 Cb 0.48 -1.04 -0.03 0.00 -1.06 0.00 0.00 33.84 32.19 1c7m n VAL 33 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1c7m s VAL 34 N -2.55 3.38 0.00 1.55 1.01 -1.26 -1.70 120.40 120.83 1c7m s VAL 34 Ca -0.12 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1c7m s VAL 34 Cb 0.07 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1c7m s VAL 34 CO 0.79 -0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1c7m n GLY 35 N 5.51 0.69 3.92 4.51 0.00 0.24 -5.01 105.19 115.06 1c7m n GLY 35 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.38 3.50 0.71 1.61 3.52 -0.69 -4.87 118.95 122.36 1c7m s ARG 36 Ca 0.00 -0.38 -0.16 0.00 -0.13 0.00 0.00 55.73 55.06 1c7m s ARG 36 Cb 0.00 -2.92 -0.04 0.00 -1.56 0.00 0.00 34.95 30.44 1c7m s ARG 36 CO 0.00 0.49 0.59 -2.37 -0.81 0.00 0.00 175.30 173.20 1c7m n THR 37 N -0.28 1.96 -2.63 4.11 5.66 -1.26 -0.30 114.28 121.54 1c7m n THR 37 Ca -0.05 -0.40 -0.43 0.00 -3.05 0.00 0.00 64.05 60.12 1c7m n THR 37 Cb 0.53 -0.79 -0.02 0.00 -1.55 0.00 0.00 70.33 68.50 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 -1.89 4.45 -0.12 1.08 1.01 -0.25 -4.26 120.40 120.43 1c7m s VAL 38 Ca 0.67 1.64 -0.01 0.00 0.00 0.00 0.00 61.98 64.27 1c7m s VAL 38 Cb -0.35 -4.45 0.00 0.00 0.00 0.00 0.00 36.38 31.58 1c7m s VAL 38 CO 0.57 -0.58 0.04 0.00 0.00 0.00 0.00 175.10 175.12 1c7m n ALA 39 N 7.07 -3.14 -2.69 5.51 0.00 -1.26 -2.91 120.51 123.08 1c7m n ALA 39 Ca 0.12 0.22 -0.05 0.00 0.00 0.00 0.00 53.44 53.72 1c7m n ALA 39 Cb 0.47 -0.53 0.06 0.00 0.00 0.00 0.00 19.45 19.46 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 0.13 -1.23 2.76 0.00 0.00 -1.26 -4.92 105.19 100.66 1c7m n GLY 40 Ca 0.01 0.79 -0.19 0.00 0.00 0.00 0.00 46.02 46.62 1c7m n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1c7m s VAL 41 N 0.39 -0.24 -0.70 1.61 1.01 -1.26 -4.95 120.40 116.26 1c7m s VAL 41 Ca 0.28 0.12 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 1c7m s VAL 41 Cb 0.19 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 36.07 1c7m s VAL 41 CO -0.13 -0.03 2.06 1.51 0.00 0.00 0.00 175.10 178.51 1c7m s ASP 42 N 2.27 4.88 0.00 3.32 1.47 -1.26 -2.34 116.67 125.01 1c7m s ASP 42 Ca 0.04 0.15 0.00 0.00 1.18 0.00 0.00 52.55 53.92 1c7m s ASP 42 Cb -0.14 -2.54 0.00 0.00 -0.34 0.00 0.00 42.92 39.91 1c7m s ASP 42 CO -0.08 -2.79 0.00 0.61 0.68 0.00 0.00 175.17 173.59 1c7m n GLY 43 N 6.24 4.57 3.74 2.12 0.00 -1.26 -5.15 105.19 115.46 1c7m n GLY 43 Ca 0.33 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 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 3.67 -0.56 1.61 5.36 -0.99 -5.05 117.98 122.02 1c7m s PHE 44 Ca 0.00 1.33 -0.25 0.00 -0.96 0.00 0.00 56.93 57.05 1c7m s PHE 44 Cb 0.00 -2.75 0.04 0.00 -0.34 0.00 0.00 43.02 39.97 1c7m s PHE 44 CO 0.00 0.24 1.00 1.21 -1.46 0.00 0.00 175.22 176.21 1c7m s ASN 45 N 0.15 6.36 0.47 6.13 2.47 -1.26 -4.87 114.94 124.39 1c7m s ASN 45 Ca 0.36 -0.26 -0.07 0.00 0.42 0.00 0.00 52.86 53.31 1c7m s ASN 45 Cb -0.19 -2.46 -0.04 0.00 -1.45 0.00 0.00 41.25 37.10 1c7m s ASN 45 CO 0.20 -1.29 0.79 -0.31 -3.72 0.00 0.00 177.10 172.77 1c7m s TYR 46 N 4.19 3.55 0.71 0.43 2.02 -1.26 -5.09 117.35 121.91 1c7m s TYR 46 Ca 0.33 0.89 -0.13 0.00 -0.37 0.00 0.00 57.07 57.79 1c7m s TYR 46 Cb -0.11 -2.35 0.02 0.00 -0.40 0.00 0.00 41.96 39.12 1c7m s TYR 46 CO 0.20 -0.26 1.10 -1.54 -1.57 0.00 0.00 175.55 173.48 1c7m s SER 47 N -3.90 4.87 0.13 2.29 1.04 -1.26 -4.83 113.70 112.03 1c7m s SER 47 Ca 0.49 1.89 -0.21 0.00 0.48 0.00 0.00 55.95 58.59 1c7m s SER 47 Cb -0.10 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.46 1c7m s SER 47 CO 0.42 -1.79 1.68 -0.78 0.98 0.00 0.00 173.24 173.76 1c7m h ASP 48 N -0.52 -0.36 1.21 7.02 3.58 -1.99 0.35 116.42 125.72 1c7m h ASP 48 Ca -0.45 0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.06 1c7m h ASP 48 Cb 1.24 0.18 -0.00 0.00 1.72 0.00 0.00 39.33 42.47 1c7m h ASP 48 CO 0.53 -0.15 -0.07 1.55 -2.88 0.00 0.00 179.24 178.22 1c7m h PRO 49 N -0.13 0.00 -0.08 0.28 0.13 -1.87 -0.21 132.00 130.13 1c7m h PRO 49 Ca 0.09 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.20 1c7m h PRO 49 Cb 0.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.39 1c7m h PRO 49 CO -0.22 0.07 -0.02 1.98 -0.23 0.00 0.00 178.00 179.58 1c7m h MET 50 N 0.00 0.15 -0.58 0.86 4.05 -1.77 -2.93 114.93 114.71 1c7m h MET 50 Ca -0.00 -0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.28 1c7m h MET 50 Cb 0.70 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.47 1c7m h MET 50 CO 0.01 0.49 0.06 -0.22 0.23 0.00 0.00 176.91 177.48 1c7m h LYS 51 N -0.20 0.95 0.00 0.39 3.64 -0.87 -2.86 116.57 117.62 1c7m h LYS 51 Ca 0.02 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1c7m h LYS 51 Cb 0.44 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1c7m h LYS 51 CO 0.01 0.90 0.00 0.00 -2.27 0.00 0.00 179.45 178.09 1c7m n ALA 52 N -2.47 1.59 0.16 5.00 0.00 -0.10 -4.09 120.51 120.61 1c7m n ALA 52 Ca 0.04 0.08 -0.07 0.00 0.00 0.00 0.00 53.44 53.49 1c7m n ALA 52 Cb 0.29 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 1c7m n ALA 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1c7m h HIS 53 N 0.00 -0.41 0.00 0.00 -0.00 -1.30 -3.49 115.15 109.94 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 0.31 0.14 0.00 0.00 -0.00 0.00 0.00 27.41 27.86 1c7m h HIS 53 CO 0.00 -0.26 0.00 0.41 -0.00 0.00 0.00 177.93 178.08 1c7m n GLY 54 N -0.04 2.16 7.00 5.26 0.00 -1.15 -4.96 105.19 113.47 1c7m n GLY 54 Ca -0.06 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 4.05 3.37 -0.02 0.00 -1.26 -1.09 105.19 110.24 1c7m n GLY 55 Ca 0.00 0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.11 1.61 1.01 -1.26 -4.12 116.67 108.40 1c7m s ASP 56 Ca 0.00 0.28 -0.21 0.00 0.71 0.00 0.00 52.55 53.33 1c7m s ASP 56 Cb 0.00 0.44 0.06 0.00 1.01 0.00 0.00 42.92 44.42 1c7m s ASP 56 CO 0.00 -0.59 1.54 0.26 0.21 0.00 0.00 175.17 176.59 1c7m s TRP 57 N -1.70 2.62 0.67 4.23 0.23 0.58 -4.79 118.94 120.78 1c7m s TRP 57 Ca -0.10 -1.09 -0.13 0.00 -2.03 0.00 0.00 56.10 52.75 1c7m s TRP 57 Cb -0.02 -4.71 -0.00 0.00 0.03 0.00 0.00 33.47 28.77 1c7m s TRP 57 CO 0.04 -1.89 1.07 0.95 0.96 0.00 0.00 176.95 178.07 1c7m s THR 58 N 4.72 3.82 -0.95 2.01 -4.23 -1.26 -0.59 115.64 119.16 1c7m s THR 58 Ca 0.48 0.69 -0.06 0.00 -1.18 0.00 0.00 61.69 61.62 1c7m s THR 58 Cb 0.01 -3.31 -0.08 0.00 1.34 0.00 0.00 72.50 70.46 1c7m s THR 58 CO -0.04 -0.68 2.39 -0.81 -0.54 0.00 0.00 174.62 174.94 1c7m n PRO 59 N -2.79 2.36 0.05 3.99 -0.04 -1.26 -1.50 135.00 135.81 1c7m n PRO 59 Ca 0.08 -1.52 0.00 0.00 -0.04 0.00 0.00 63.50 62.03 1c7m n PRO 59 Cb 0.53 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 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 3.83 0.00 -0.20 0.54 2.13 -1.26 -4.71 120.64 120.97 1c7m n GLU 60 Ca 0.50 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 58.29 1c7m n GLU 60 Cb 0.23 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.01 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 0.76 -0.46 4.31 0.00 -1.90 -2.53 119.26 119.45 1c7m h ALA 61 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1c7m h ALA 61 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1c7m h ALA 61 CO 0.00 -0.02 0.31 -0.07 0.00 0.00 0.00 179.25 179.46 1c7m h LEU 62 N 0.59 0.49 -0.37 0.00 3.38 -1.58 -0.19 115.31 117.64 1c7m h LEU 62 Ca 0.26 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1c7m h LEU 62 Cb 0.16 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1c7m h LEU 62 CO -0.17 0.35 0.23 1.56 0.09 0.00 0.00 178.44 180.51 1c7m h GLN 63 N 0.58 0.49 -0.16 1.13 1.08 -1.72 0.18 115.11 116.69 1c7m h GLN 63 Ca 0.18 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.30 1c7m h GLN 63 Cb 0.00 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1c7m h GLN 63 CO -0.04 0.34 -0.07 0.93 -0.95 0.00 0.00 178.83 179.04 1c7m h GLU 64 N 0.49 0.33 -0.13 1.46 5.08 -1.41 -2.63 114.58 117.76 1c7m h GLU 64 Ca 0.13 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1c7m h GLU 64 Cb -0.03 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1c7m h GLU 64 CO -0.03 0.64 0.04 0.35 -1.00 0.00 0.00 179.01 179.01 1c7m h PHE 65 N 0.01 0.22 0.00 4.33 3.57 -1.05 -2.06 116.94 121.96 1c7m h PHE 65 Ca 0.04 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1c7m h PHE 65 Cb 0.53 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 1c7m h PHE 65 CO 0.06 0.35 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.40 1c7m h LEU 66 N 0.03 0.00 -0.59 0.59 3.38 -0.77 -1.60 115.31 116.34 1c7m h LEU 66 Ca 0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1c7m h LEU 66 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1c7m h LEU 66 CO -0.00 0.03 -0.24 0.74 0.09 0.00 0.00 178.44 179.05 1c7m h THR 67 N 0.00 1.27 -1.03 0.22 2.02 -1.24 0.37 112.91 114.52 1c7m h THR 67 Ca -0.00 -1.39 -0.11 0.00 0.77 0.00 0.00 66.41 65.69 1c7m h THR 67 Cb 0.08 1.21 -0.18 0.00 -1.74 0.00 0.00 68.15 67.52 1c7m h THR 67 CO 0.00 0.47 -0.48 0.21 0.37 0.00 0.00 175.52 176.10 1c7m s ASN 68 N -6.76 -1.42 0.21 4.18 3.84 -0.79 -4.05 114.94 110.15 1c7m s ASN 68 Ca -0.10 -1.19 -0.10 0.00 0.21 0.00 0.00 52.86 51.68 1c7m s ASN 68 Cb 0.13 1.89 0.17 0.00 -0.55 0.00 0.00 41.25 42.89 1c7m s ASN 68 CO 0.85 -0.13 1.86 -0.65 -2.79 0.00 0.00 177.10 176.24 1c7m h PRO 69 N 6.21 0.87 0.00 0.43 0.11 -1.52 -2.07 132.00 136.03 1c7m h PRO 69 Ca 0.06 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1c7m h PRO 69 Cb 1.15 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1c7m h PRO 69 CO 0.07 0.58 0.00 0.36 -0.21 0.00 0.00 178.00 178.79 1c7m n LYS 70 N -4.64 0.51 -0.01 1.05 2.85 -1.26 -1.46 118.16 115.20 1c7m n LYS 70 Ca 0.07 0.02 -0.17 0.00 -1.05 0.00 0.00 58.31 57.19 1c7m n LYS 70 Cb 0.06 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 32.84 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 3.39 0.10 0.03 0.58 0.00 -1.76 -3.20 119.26 118.40 1c7m h ALA 71 Ca 0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1c7m h ALA 71 Cb 0.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1c7m h ALA 71 CO 0.00 0.34 -0.02 0.28 0.00 0.00 0.00 179.25 179.85 1c7m h VAL 72 N -0.08 1.08 -3.57 0.00 2.07 -1.58 -3.41 116.25 110.76 1c7m h VAL 72 Ca -0.06 -1.69 -0.73 0.00 0.82 0.00 0.00 66.70 65.04 1c7m h VAL 72 Cb 1.25 2.00 -0.32 0.00 -1.52 0.00 0.00 31.29 32.69 1c7m h VAL 72 CO 0.11 0.35 -0.10 -0.69 0.02 0.00 0.00 177.57 177.26 1c7m s VAL 73 N -2.32 4.58 -0.54 2.57 1.01 -0.54 -5.06 120.40 120.10 1c7m s VAL 73 Ca -0.12 -3.11 -0.28 0.00 0.00 0.00 0.00 61.98 58.48 1c7m s VAL 73 Cb -0.01 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1c7m s VAL 73 CO 0.45 -1.00 1.53 -0.75 0.00 0.00 0.00 175.10 175.33 1c7m s LYS 74 N -0.44 3.19 0.00 2.72 2.20 -1.21 -2.12 119.74 124.09 1c7m s LYS 74 Ca 0.21 0.59 0.00 0.00 -0.36 0.00 0.00 55.97 56.41 1c7m s LYS 74 Cb -0.14 -4.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.01 1c7m s LYS 74 CO -0.07 -2.06 0.00 0.41 -0.36 0.00 0.00 175.35 173.26 1c7m n GLY 75 N 5.35 1.08 3.76 5.54 0.00 -1.26 -4.81 105.19 114.85 1c7m n GLY 75 Ca 0.15 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.01 4.13 -2.00 2.61 -1.32 -0.90 -4.54 115.64 111.61 1c7m s THR 76 Ca 0.00 1.99 0.08 0.00 -1.21 0.00 0.00 61.69 62.55 1c7m s THR 76 Cb 0.00 -4.23 0.24 0.00 -1.51 0.00 0.00 72.50 66.99 1c7m s THR 76 CO 0.00 0.41 0.91 0.29 -2.21 0.00 0.00 174.62 174.03 1c7m n LYS 77 N 1.27 0.38 -2.52 7.08 4.01 -1.26 -4.78 118.16 122.34 1c7m n LYS 77 Ca -0.01 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.37 1c7m n LYS 77 Cb 0.48 -1.34 -0.03 0.00 -0.51 0.00 0.00 35.03 33.63 1c7m n LYS 77 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 1c7m s MET 78 N -2.00 3.35 -1.32 1.97 1.75 -1.26 -4.95 119.30 116.84 1c7m s MET 78 Ca 0.12 0.13 -0.16 0.00 -1.25 0.00 0.00 55.69 54.54 1c7m s MET 78 Cb 0.06 -4.10 0.01 0.00 2.84 0.00 0.00 34.83 33.64 1c7m s MET 78 CO 0.10 -1.91 2.12 0.00 -0.65 0.00 0.00 175.02 174.67 1c7m n ALA 79 N 9.07 4.85 -3.74 4.11 0.00 -1.26 -4.86 120.51 128.68 1c7m n ALA 79 Ca 0.08 -3.76 -0.14 0.00 0.00 0.00 0.00 53.44 49.62 1c7m n ALA 79 Cb 0.49 -3.56 -0.14 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 3.82 -0.17 0.09 0.00 5.36 -1.26 -5.09 117.98 120.72 1c7m s PHE 80 Ca 0.50 0.50 -0.08 0.00 -0.96 0.00 0.00 56.93 56.89 1c7m s PHE 80 Cb 0.13 -0.10 -0.22 0.00 -0.34 0.00 0.00 43.02 42.49 1c7m s PHE 80 CO -0.03 -0.18 1.18 0.00 -1.46 0.00 0.00 175.22 174.74 1c7m h ALA 81 N 7.34 0.15 0.00 11.12 0.00 -1.95 -3.40 119.26 132.51 1c7m h ALA 81 Ca -0.41 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 53.72 1c7m h ALA 81 Cb 1.14 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1c7m h ALA 81 CO 0.40 0.82 0.00 0.41 0.00 0.00 0.00 179.25 180.88 1c7m n GLY 82 N 1.28 4.66 3.66 0.00 0.00 -1.26 -4.38 105.19 109.15 1c7m n GLY 82 Ca -0.10 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 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 4.14 -0.01 0.99 1.43 0.13 -4.96 118.68 120.40 1c7m s LEU 83 Ca 0.00 1.03 -0.13 0.00 -1.03 0.00 0.00 54.13 54.00 1c7m s LEU 83 Cb 0.00 -3.11 -0.33 0.00 0.03 0.00 0.00 46.19 42.78 1c7m s LEU 83 CO 0.00 -0.38 0.82 1.55 0.23 0.00 0.00 176.35 178.56 1c7m h PRO 84 N 7.46 0.47 -6.42 1.29 0.13 -1.90 -3.38 132.00 129.65 1c7m h PRO 84 Ca -0.29 -0.80 -0.54 0.00 -0.87 0.00 0.00 66.00 63.51 1c7m h PRO 84 Cb 1.13 0.30 -0.03 0.00 0.13 0.00 0.00 31.00 32.52 1c7m h PRO 84 CO 0.82 1.38 -0.03 0.15 -0.23 0.00 0.00 178.00 180.09 1c7m s LYS 85 N -2.59 4.02 0.38 0.86 -0.14 -1.26 -5.01 119.74 116.00 1c7m s LYS 85 Ca -0.13 0.56 0.09 0.00 -1.36 0.00 0.00 55.97 55.13 1c7m s LYS 85 Cb 0.05 -2.85 0.85 0.00 -1.68 0.00 0.00 37.83 34.20 1c7m s LYS 85 CO 0.90 0.42 1.92 0.97 -0.76 0.00 0.00 175.35 178.80 1c7m h ILE 86 N 2.62 0.91 -0.13 2.17 6.09 -2.00 -1.90 117.51 125.27 1c7m h ILE 86 Ca -0.48 -0.22 -0.04 0.00 -1.37 0.00 0.00 64.86 62.75 1c7m h ILE 86 Cb 1.19 0.21 -0.01 0.00 0.47 0.00 0.00 36.82 38.68 1c7m h ILE 86 CO 0.66 0.12 -0.11 -0.33 -3.07 0.00 0.00 178.15 175.41 1c7m h GLU 87 N 0.64 0.20 0.45 2.19 5.08 -1.95 -2.04 114.58 119.14 1c7m h GLU 87 Ca 0.36 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1c7m h GLU 87 Cb 0.55 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1c7m h GLU 87 CO -0.14 0.32 -0.21 -0.44 -1.00 0.00 0.00 179.01 177.54 1c7m h ASP 88 N 0.19 -0.51 -0.48 1.42 3.32 -1.70 -0.52 116.42 118.14 1c7m h ASP 88 Ca 0.04 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 1c7m h ASP 88 Cb 0.33 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1c7m h ASP 88 CO 0.02 -0.24 0.01 0.08 -1.72 0.00 0.00 179.24 177.38 1c7m h ARG 89 N -0.77 0.85 -0.86 3.56 -0.00 -1.67 -2.86 114.38 112.63 1c7m h ARG 89 Ca -0.06 -0.27 0.02 0.00 -0.00 0.00 0.00 59.98 59.68 1c7m h ARG 89 Cb 0.54 -0.08 -0.05 0.00 -0.00 0.00 0.00 29.97 30.38 1c7m h ARG 89 CO 0.10 0.89 0.56 0.00 -0.00 0.00 0.00 179.97 181.51 1c7m h ALA 90 N 0.93 1.11 -0.13 0.08 0.00 -1.42 -0.06 119.26 119.77 1c7m h ALA 90 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1c7m h ALA 90 Cb 0.50 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1c7m h ALA 90 CO 0.02 0.43 0.08 -0.91 0.00 0.00 0.00 179.25 178.88 1c7m h ASN 91 N 1.10 0.16 -0.30 0.00 2.35 -0.75 -1.15 115.58 116.99 1c7m h ASN 91 Ca 0.33 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1c7m h ASN 91 Cb -0.05 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1c7m h ASN 91 CO -0.10 0.14 0.19 0.25 -1.65 0.00 0.00 177.43 176.26 1c7m h LEU 92 N 0.16 0.35 -0.44 1.61 6.46 -1.45 -1.16 115.31 120.84 1c7m h LEU 92 Ca 0.05 -0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.85 1c7m h LEU 92 Cb 0.01 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 39.80 1c7m h LEU 92 CO -0.01 0.27 0.12 0.40 -0.62 0.00 0.00 178.44 178.60 1c7m h ILE 93 N 0.40 0.81 -0.44 4.05 2.04 -1.03 -0.07 117.51 123.28 1c7m h ILE 93 Ca 0.11 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 65.93 1c7m h ILE 93 Cb -0.02 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 1c7m h ILE 93 CO -0.02 0.05 0.15 0.00 0.00 0.00 0.00 178.15 178.33 1c7m h ALA 94 N 1.31 0.52 0.01 1.87 0.00 -1.13 -0.87 119.26 120.97 1c7m h ALA 94 Ca 0.21 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1c7m h ALA 94 Cb 0.24 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1c7m h ALA 94 CO -0.24 -0.24 -0.27 -0.92 0.00 0.00 0.00 179.25 177.57 1c7m h TYR 95 N 0.32 -0.73 -0.11 0.00 3.20 -1.03 -2.92 116.97 115.70 1c7m h TYR 95 Ca 0.20 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.00 1c7m h TYR 95 Cb 0.20 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1c7m h TYR 95 CO -0.16 -0.36 -0.36 1.37 -1.64 0.00 0.00 178.16 177.01 1c7m h LEU 96 N -0.42 0.22 -0.41 2.82 8.10 -0.92 -2.07 115.31 122.64 1c7m h LEU 96 Ca 0.06 -0.08 0.06 0.00 0.11 0.00 0.00 57.88 58.02 1c7m h LEU 96 Cb 0.50 -0.06 -0.05 0.00 -0.44 0.00 0.00 40.66 40.61 1c7m h LEU 96 CO -0.23 0.57 0.10 -0.33 -4.11 0.00 0.00 178.44 174.45 1c7m h GLU 97 N 0.19 0.24 -0.47 0.17 5.08 -1.23 -2.57 114.58 115.99 1c7m h GLU 97 Ca 0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1c7m h GLU 97 Cb 0.73 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1c7m h GLU 97 CO 0.06 0.16 0.00 0.41 -1.00 0.00 0.00 179.01 178.63 1c7m n GLY 98 N -1.24 0.23 2.33 -3.84 0.00 -1.07 -4.50 105.19 97.09 1c7m n GLY 98 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1c7m n GLY 98 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1c7m n GLN 99 N -0.24 0.41 0.00 1.61 -0.06 -0.80 -5.05 117.38 113.24 1c7m n GLN 99 Ca 0.00 -3.22 0.00 0.00 -2.00 0.00 0.00 57.00 51.78 1c7m n GLN 99 Cb 0.12 -1.53 0.00 0.00 -4.06 0.00 0.00 30.24 24.76 1c7m n GLN 99 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86