#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c7m n ALA 2 N 0.00 3.92 -3.47 3.04 0.00 -1.26 -3.04 120.51 119.69 1c7m n ALA 2 Ca 0.00 -4.68 -0.40 0.00 0.00 0.00 0.00 53.44 48.36 1c7m n ALA 2 Cb 0.00 -1.15 -0.09 0.00 0.00 0.00 0.00 19.45 18.21 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 -1.82 5.65 0.31 0.00 1.01 -1.26 -4.98 116.67 115.59 1c7m s ASP 3 Ca 0.33 -1.78 0.11 0.00 0.71 0.00 0.00 52.55 51.92 1c7m s ASP 3 Cb 0.05 -1.99 0.49 0.00 1.01 0.00 0.00 42.92 42.48 1c7m s ASP 3 CO -0.07 -0.63 1.69 1.55 0.21 0.00 0.00 175.17 177.92 1c7m h PRO 4 N 8.41 0.01 -0.65 8.23 0.13 -1.87 -2.34 132.00 143.92 1c7m h PRO 4 Ca -0.21 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 1c7m h PRO 4 Cb 1.07 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 1c7m h PRO 4 CO 0.82 0.53 0.32 0.00 -0.23 0.00 0.00 178.00 179.44 1c7m h ALA 5 N 1.47 0.84 -0.14 -0.56 0.00 -1.95 -2.58 119.26 116.34 1c7m h ALA 5 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1c7m h ALA 5 Cb 0.93 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1c7m h ALA 5 CO 0.07 0.40 -0.02 0.00 0.00 0.00 0.00 179.25 179.70 1c7m h ALA 6 N 1.15 1.72 0.00 0.00 0.00 -1.90 -2.94 119.26 117.29 1c7m h ALA 6 Ca 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1c7m h ALA 6 Cb 0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1c7m h ALA 6 CO -0.03 0.21 -0.04 0.78 0.00 0.00 0.00 179.25 180.17 1c7m h GLY 7 N 0.45 0.00 0.86 0.00 0.00 -1.12 -2.83 103.07 100.43 1c7m h GLY 7 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 1c7m h GLY 7 CO 0.00 0.00 -0.08 -2.09 0.00 0.00 0.00 176.54 174.37 1c7m h GLU 8 N 0.00 0.51 -0.29 4.80 4.22 -1.27 0.32 114.58 122.87 1c7m h GLU 8 Ca -0.00 -0.21 -0.07 0.00 0.08 0.00 0.00 59.36 59.17 1c7m h GLU 8 Cb 0.34 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1c7m h GLU 8 CO 0.01 0.74 -0.10 1.57 -2.18 0.00 0.00 179.01 179.04 1c7m h LYS 9 N 0.25 0.49 -0.38 1.92 2.10 -1.65 -1.22 116.57 118.07 1c7m h LYS 9 Ca 0.06 -0.13 -0.02 0.00 -2.00 0.00 0.00 60.65 58.56 1c7m h LYS 9 Cb 0.57 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.82 1c7m h LYS 9 CO 0.03 0.59 0.18 0.28 -2.00 0.00 0.00 179.45 178.53 1c7m h VAL 10 N 0.45 1.17 -0.10 0.07 2.07 -1.53 -3.00 116.25 115.39 1c7m h VAL 10 Ca 0.09 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.14 1c7m h VAL 10 Cb 0.46 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1c7m h VAL 10 CO 0.03 0.19 0.14 0.15 0.02 0.00 0.00 177.57 178.09 1c7m h PHE 11 N 0.48 0.00 -0.74 1.57 3.57 -0.72 -2.76 116.94 118.34 1c7m h PHE 11 Ca 0.13 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.78 1c7m h PHE 11 Cb 0.13 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 1c7m h PHE 11 CO -0.01 0.00 0.50 0.78 -2.23 0.00 0.00 178.31 177.35 1c7m h GLY 12 N 0.00 0.67 1.43 2.40 0.00 -1.07 0.17 103.07 106.67 1c7m h GLY 12 Ca 0.05 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.09 1c7m h GLY 12 CO -0.00 0.06 -0.26 0.50 0.00 0.00 0.00 176.54 176.84 1c7m h LYS 13 N 0.40 0.66 -0.24 4.80 1.57 -1.62 -3.33 116.57 118.81 1c7m h LYS 13 Ca 0.36 -0.27 -0.20 0.00 -1.87 0.00 0.00 60.65 58.68 1c7m h LYS 13 Cb 0.85 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1c7m h LYS 13 CO -0.11 0.85 -0.62 0.00 -0.57 0.00 0.00 179.45 179.01 1c7m n LYS 15 N -3.98 0.06 0.04 0.00 2.85 0.53 -1.42 118.16 116.24 1c7m n LYS 15 Ca -0.05 0.13 0.03 0.00 -1.05 0.00 0.00 58.31 57.37 1c7m n LYS 15 Cb 0.66 -1.50 0.42 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 2.78 1.64 0.03 0.58 0.00 -1.81 -3.36 119.26 119.12 1c7m h ALA 16 Ca 0.00 -0.08 -0.38 0.00 0.00 0.00 0.00 54.91 54.44 1c7m h ALA 16 Cb 0.33 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1c7m h ALA 16 CO 0.00 0.29 -2.20 0.00 0.00 0.00 0.00 179.25 177.34 1c7m s HIS 18 N -2.50 2.99 -0.22 0.00 3.76 -0.51 -1.41 115.29 117.40 1c7m s HIS 18 Ca -0.33 -0.11 -0.18 0.00 -0.15 0.00 0.00 55.06 54.29 1c7m s HIS 18 Cb 0.10 -1.82 -0.14 0.00 1.11 0.00 0.00 32.58 31.83 1c7m s HIS 18 CO 0.60 0.18 -0.05 1.63 -0.85 0.00 0.00 174.74 176.25 1c7m n LYS 19 N 2.77 0.56 0.00 1.40 4.01 -1.26 -4.22 118.16 121.42 1c7m n LYS 19 Ca -0.18 0.44 0.00 0.00 -0.51 0.00 0.00 58.31 58.07 1c7m n LYS 19 Cb 0.53 -1.64 0.00 0.00 -0.51 0.00 0.00 35.03 33.41 1c7m n LYS 19 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1c7m n LEU 20 N -4.39 0.00 -3.55 -0.35 4.77 -1.26 -4.94 117.00 107.27 1c7m n LEU 20 Ca -0.36 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.21 1c7m n LEU 20 Cb 0.70 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.78 1c7m n LEU 20 CO 0.13 0.00 2.85 -0.67 -1.33 0.00 0.00 177.39 178.37 1c7m n ASP 21 N 2.64 6.45 -1.09 -1.43 2.03 -1.26 -4.48 116.55 119.41 1c7m n ASP 21 Ca 0.00 -2.81 -0.14 0.00 0.52 0.00 0.00 54.79 52.36 1c7m n ASP 21 Cb 0.00 -1.56 -0.06 0.00 -0.72 0.00 0.00 41.12 38.78 1c7m n ASP 21 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1c7m n GLY 22 N 3.44 1.35 3.19 0.27 0.00 -1.26 -4.99 105.19 107.19 1c7m n GLY 22 Ca 0.62 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.51 1.34 0.00 1.61 0.01 -1.26 -5.02 114.94 109.10 1c7m s ASN 23 Ca 0.00 -0.96 0.00 0.00 -0.71 0.00 0.00 52.86 51.19 1c7m s ASN 23 Cb 0.00 0.05 0.00 0.00 0.41 0.00 0.00 41.25 41.71 1c7m s ASN 23 CO 0.00 -0.39 0.00 0.47 -1.51 0.00 0.00 177.10 175.67 1c7m n ASP 24 N 0.08 0.00 0.00 -1.22 8.00 -1.26 -3.43 116.55 118.72 1c7m n ASP 24 Ca -0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.37 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 3.27 1.84 0.04 0.44 0.00 -1.26 -3.75 105.19 105.78 1c7m n GLY 25 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 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 0.80 -3.88 1.61 0.31 -1.24 -5.03 118.33 110.90 1c7m n VAL 26 Ca 0.00 0.32 -0.36 0.00 -0.01 0.00 0.00 64.34 64.30 1c7m n VAL 26 Cb 0.00 -1.97 -0.06 0.00 -0.91 0.00 0.00 33.84 30.90 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 -3.79 2.18 0.59 2.92 0.00 -0.50 -5.02 107.32 103.70 1c7m s GLY 27 Ca -0.12 -0.67 -0.18 0.00 0.00 0.00 0.00 44.72 43.74 1c7m s GLY 27 CO 0.18 -0.47 1.15 2.56 0.00 0.00 0.00 173.10 176.53 1c7m s PRO 28 N -1.40 3.06 0.06 2.90 0.04 -1.26 -4.35 135.00 134.06 1c7m s PRO 28 Ca 0.20 1.64 -0.33 0.00 0.04 0.00 0.00 61.00 62.55 1c7m s PRO 28 Cb -0.12 -1.96 -0.12 0.00 0.04 0.00 0.00 34.50 32.33 1c7m s PRO 28 CO 0.10 -1.09 1.76 -2.39 0.04 0.00 0.00 177.00 175.42 1c7m n HIS 29 N -1.68 2.40 -0.64 0.56 1.44 -1.22 -4.71 115.22 111.36 1c7m n HIS 29 Ca 0.12 0.04 -0.08 0.00 -2.01 0.00 0.00 57.72 55.79 1c7m n HIS 29 Cb 0.51 -2.65 0.22 0.00 0.12 0.00 0.00 29.99 28.20 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 5.23 5.41 -4.56 2.39 4.77 -1.26 -4.88 117.00 124.10 1c7m n LEU 30 Ca 0.19 -2.82 -0.27 0.00 -0.03 0.00 0.00 56.01 53.08 1c7m n LEU 30 Cb 0.32 -0.71 -0.05 0.00 -2.33 0.00 0.00 43.42 40.64 1c7m n LEU 30 CO 0.68 0.76 1.37 0.54 -1.33 0.00 0.00 177.39 179.40 1c7m s ASN 31 N -0.72 5.16 -0.43 -1.43 2.20 -1.26 -1.89 114.94 116.57 1c7m s ASN 31 Ca 0.44 -0.83 -0.00 0.00 -0.94 0.00 0.00 52.86 51.54 1c7m s ASN 31 Cb 0.36 -2.56 -0.00 0.00 -2.00 0.00 0.00 41.25 37.04 1c7m s ASN 31 CO 0.10 -2.75 0.36 0.61 -2.94 0.00 0.00 177.10 172.48 1c7m n GLY 32 N 6.72 0.15 0.19 0.45 0.00 -1.24 -4.99 105.19 106.47 1c7m n GLY 32 Ca 0.41 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.68 1.13 -2.62 1.61 3.04 -1.60 -3.35 116.25 113.78 1c7m h VAL 33 Ca -0.21 -1.31 -0.54 0.00 -1.01 0.00 0.00 66.70 63.62 1c7m h VAL 33 Cb 1.12 1.73 -0.04 0.00 -2.01 0.00 0.00 31.29 32.09 1c7m h VAL 33 CO 0.18 0.36 1.22 -0.69 -1.01 0.00 0.00 177.57 177.62 1c7m s VAL 34 N -4.03 3.60 0.00 1.51 1.01 -1.26 -1.73 120.40 119.49 1c7m s VAL 34 Ca -0.02 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1c7m s VAL 34 Cb 0.13 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1c7m s VAL 34 CO 0.70 -0.82 0.00 0.61 0.00 0.00 0.00 175.10 175.59 1c7m n GLY 35 N 5.40 0.72 3.86 4.51 0.00 0.35 -4.98 105.19 115.05 1c7m n GLY 35 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.60 3.87 0.70 1.61 3.52 -0.71 -4.84 118.95 122.49 1c7m s ARG 36 Ca 0.00 0.54 -0.16 0.00 -0.13 0.00 0.00 55.73 55.98 1c7m s ARG 36 Cb 0.00 -2.41 -0.02 0.00 -1.56 0.00 0.00 34.95 30.95 1c7m s ARG 36 CO 0.00 0.05 0.78 -2.37 -0.81 0.00 0.00 175.30 172.95 1c7m n THR 37 N -0.89 2.53 -2.52 4.11 5.66 -1.26 -0.17 114.28 121.74 1c7m n THR 37 Ca 0.03 -0.41 -0.42 0.00 -3.05 0.00 0.00 64.05 60.20 1c7m n THR 37 Cb 0.54 -0.95 -0.03 0.00 -1.55 0.00 0.00 70.33 68.34 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 -1.81 4.38 -0.36 1.08 1.01 -0.23 -3.88 120.40 120.59 1c7m s VAL 38 Ca 0.71 1.70 -0.07 0.00 0.00 0.00 0.00 61.98 64.32 1c7m s VAL 38 Cb -0.36 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 31.94 1c7m s VAL 38 CO 0.53 0.05 0.42 0.00 0.00 0.00 0.00 175.10 176.10 1c7m n ALA 39 N 4.69 -2.70 -2.84 5.51 0.00 -1.26 -3.51 120.51 120.40 1c7m n ALA 39 Ca 0.09 0.50 -0.11 0.00 0.00 0.00 0.00 53.44 53.92 1c7m n ALA 39 Cb 0.47 -1.96 0.06 0.00 0.00 0.00 0.00 19.45 18.02 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 -0.79 1.45 2.68 0.00 0.00 -1.25 -5.00 105.19 102.29 1c7m n GLY 40 Ca 0.05 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.54 0.10 -0.44 1.61 1.01 -1.26 -4.94 120.40 115.94 1c7m s VAL 41 Ca 0.27 0.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.99 1c7m s VAL 41 Cb 0.32 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 1c7m s VAL 41 CO -0.06 -0.01 1.69 -0.62 0.00 0.00 0.00 175.10 176.10 1c7m s ASP 42 N 2.07 5.86 0.00 3.32 2.15 -1.26 -3.01 116.67 125.81 1c7m s ASP 42 Ca 0.03 0.87 0.00 0.00 0.43 0.00 0.00 52.55 53.88 1c7m s ASP 42 Cb -0.14 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1c7m s ASP 42 CO -0.06 -1.81 0.00 0.61 -0.17 0.00 0.00 175.17 173.74 1c7m n GLY 43 N 5.40 4.51 3.85 2.66 0.00 -1.26 -5.16 105.19 115.19 1c7m n GLY 43 Ca 0.20 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 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 3.64 -0.82 1.61 5.36 -1.16 -5.05 117.98 121.56 1c7m s PHE 44 Ca 0.00 0.99 -0.24 0.00 -0.96 0.00 0.00 56.93 56.72 1c7m s PHE 44 Cb 0.00 -2.31 0.05 0.00 -0.34 0.00 0.00 43.02 40.43 1c7m s PHE 44 CO 0.00 0.51 1.24 1.21 -1.46 0.00 0.00 175.22 176.72 1c7m s ASN 45 N -1.56 6.30 0.49 6.13 2.47 -1.26 -4.97 114.94 122.54 1c7m s ASN 45 Ca 0.33 -0.99 -0.18 0.00 0.42 0.00 0.00 52.86 52.44 1c7m s ASN 45 Cb -0.15 -2.52 -0.09 0.00 -1.45 0.00 0.00 41.25 37.04 1c7m s ASN 45 CO 0.18 -1.59 0.98 -0.31 -3.72 0.00 0.00 177.10 172.64 1c7m s TYR 46 N 4.87 3.35 0.63 0.43 2.02 -1.26 -5.03 117.35 122.36 1c7m s TYR 46 Ca 0.35 1.52 -0.14 0.00 -0.37 0.00 0.00 57.07 58.43 1c7m s TYR 46 Cb -0.07 -2.84 -0.02 0.00 -0.40 0.00 0.00 41.96 38.62 1c7m s TYR 46 CO 0.05 -0.36 1.05 -1.54 -1.57 0.00 0.00 175.55 173.18 1c7m s SER 47 N -2.71 5.68 0.14 2.29 1.04 -1.26 -4.89 113.70 113.99 1c7m s SER 47 Ca 0.61 1.72 -0.17 0.00 0.48 0.00 0.00 55.95 58.59 1c7m s SER 47 Cb -0.10 -2.52 0.01 0.00 0.10 0.00 0.00 66.02 63.51 1c7m s SER 47 CO 0.25 -1.24 1.77 0.44 0.98 0.00 0.00 173.24 175.45 1c7m h ASP 48 N 0.02 0.24 0.50 7.02 3.32 -1.98 -1.03 116.42 124.51 1c7m h ASP 48 Ca -0.46 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.56 1c7m h ASP 48 Cb 1.21 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1c7m h ASP 48 CO 0.57 0.18 -0.24 1.55 -1.72 0.00 0.00 179.24 179.58 1c7m h PRO 49 N 0.33 0.00 -0.09 3.56 0.13 -1.87 -0.95 132.00 133.11 1c7m h PRO 49 Ca 0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 1c7m h PRO 49 Cb 0.04 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.16 1c7m h PRO 49 CO -0.09 0.24 0.03 1.98 -0.23 0.00 0.00 178.00 179.94 1c7m h MET 50 N 0.00 0.14 -0.76 0.86 -1.53 -1.75 -2.38 114.93 109.52 1c7m h MET 50 Ca -0.00 -0.03 -0.02 0.00 -3.44 0.00 0.00 59.70 56.21 1c7m h MET 50 Cb 0.56 -0.02 -0.04 0.00 -0.55 0.00 0.00 31.60 31.55 1c7m h MET 50 CO 0.03 0.28 0.41 0.87 0.14 0.00 0.00 176.91 178.64 1c7m h LYS 51 N -0.02 1.06 0.00 0.39 1.57 -1.15 -3.09 116.57 115.33 1c7m h LYS 51 Ca 0.03 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1c7m h LYS 51 Cb 0.19 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1c7m h LYS 51 CO -0.00 0.79 -0.03 0.00 -0.57 0.00 0.00 179.45 179.64 1c7m h ALA 52 N 1.21 1.07 0.41 3.86 0.00 -1.22 -3.27 119.26 121.32 1c7m h ALA 52 Ca 0.27 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1c7m h ALA 52 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1c7m h ALA 52 CO -0.04 0.03 -0.20 1.25 0.00 0.00 0.00 179.25 180.29 1c7m h HIS 53 N 0.00 -0.51 0.00 0.00 -0.00 -1.34 -3.49 115.15 109.82 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 0.25 0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.83 1c7m h HIS 53 CO 0.00 -0.32 0.00 0.41 -0.00 0.00 0.00 177.93 178.02 1c7m n GLY 54 N -0.59 2.93 7.00 5.26 0.00 -1.23 -4.91 105.19 113.64 1c7m n GLY 54 Ca -0.07 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 3.56 3.35 -0.02 0.00 -1.26 -1.06 105.19 109.75 1c7m n GLY 55 Ca 0.00 0.23 -0.15 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.36 -1.18 1.61 1.01 -1.26 -4.13 116.67 108.36 1c7m s ASP 56 Ca 0.00 0.26 -0.20 0.00 0.71 0.00 0.00 52.55 53.32 1c7m s ASP 56 Cb 0.00 0.41 0.06 0.00 1.01 0.00 0.00 42.92 44.41 1c7m s ASP 56 CO 0.00 -0.56 1.60 0.26 0.21 0.00 0.00 175.17 176.68 1c7m s TRP 57 N -1.61 2.70 0.65 4.23 0.23 0.76 -4.74 118.94 121.16 1c7m s TRP 57 Ca -0.10 -1.31 -0.12 0.00 -2.03 0.00 0.00 56.10 52.53 1c7m s TRP 57 Cb -0.02 -4.72 -0.01 0.00 0.03 0.00 0.00 33.47 28.74 1c7m s TRP 57 CO 0.04 -1.85 1.05 0.95 0.96 0.00 0.00 176.95 178.10 1c7m s THR 58 N 4.46 4.10 0.00 2.01 -4.23 -1.26 -0.50 115.64 120.22 1c7m s THR 58 Ca 0.50 0.77 0.00 0.00 -1.18 0.00 0.00 61.69 61.78 1c7m s THR 58 Cb 0.02 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.39 1c7m s THR 58 CO 0.00 -0.80 1.03 -0.81 -0.54 0.00 0.00 174.62 173.50 1c7m n PRO 59 N -2.74 0.52 0.00 3.99 -0.04 -1.26 -2.08 135.00 133.39 1c7m n PRO 59 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1c7m n PRO 59 Cb 0.53 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 1c7m n PRO 59 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1c7m n GLU 60 N 1.71 0.00 -0.27 0.54 -0.58 -1.26 -4.79 120.64 115.99 1c7m n GLU 60 Ca 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.75 1c7m n GLU 60 Cb 0.26 -0.42 0.14 0.00 -0.57 0.00 0.00 31.44 30.85 1c7m n GLU 60 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1c7m h ALA 61 N 0.00 1.07 -0.03 0.62 0.00 -1.89 -2.52 119.26 116.52 1c7m h ALA 61 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1c7m h ALA 61 Cb 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1c7m h ALA 61 CO 0.00 0.10 -0.05 -0.07 0.00 0.00 0.00 179.25 179.24 1c7m h LEU 62 N 0.77 0.03 -0.69 0.00 3.38 -1.74 -1.40 115.31 115.67 1c7m h LEU 62 Ca 0.36 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.32 1c7m h LEU 62 Cb 0.27 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1c7m h LEU 62 CO -0.21 0.09 0.42 1.56 0.09 0.00 0.00 178.44 180.39 1c7m h GLN 63 N 0.04 0.93 0.12 1.13 7.50 -1.71 0.13 115.11 123.26 1c7m h GLN 63 Ca 0.01 -0.08 -0.21 0.00 0.50 0.00 0.00 58.65 58.87 1c7m h GLN 63 Cb 0.11 -0.20 0.02 0.00 0.05 0.00 0.00 27.48 27.47 1c7m h GLN 63 CO 0.01 0.66 -0.89 1.49 -1.50 0.00 0.00 178.83 178.59 1c7m h GLU 64 N 0.94 0.39 -0.91 1.46 4.57 -1.58 -3.33 114.58 116.12 1c7m h GLU 64 Ca 0.25 -0.58 0.01 0.00 -1.18 0.00 0.00 59.36 57.85 1c7m h GLU 64 Cb -0.04 0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 28.71 1c7m h GLU 64 CO -0.05 1.25 0.60 0.35 -1.18 0.00 0.00 179.01 179.98 1c7m h PHE 65 N -0.19 1.16 0.00 0.92 3.57 -1.26 0.60 116.94 121.73 1c7m h PHE 65 Ca -0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1c7m h PHE 65 Cb 1.67 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 40.02 1c7m h PHE 65 CO 0.17 0.73 0.00 1.28 -2.23 0.00 0.00 178.31 178.26 1c7m n LEU 66 N -4.39 0.00 -0.05 0.59 4.77 0.47 -2.03 117.00 116.35 1c7m n LEU 66 Ca 0.11 0.20 -0.07 0.00 -0.03 0.00 0.00 56.01 56.22 1c7m n LEU 66 Cb 0.02 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 40.86 1c7m n LEU 66 CO 0.37 -0.09 -0.85 0.41 -1.33 0.00 0.00 177.39 175.90 1c7m n THR 67 N -1.20 0.61 -3.69 -5.08 -1.04 -0.92 -0.21 114.28 102.75 1c7m n THR 67 Ca 0.09 -0.23 -0.28 0.00 -2.04 0.00 0.00 64.05 61.59 1c7m n THR 67 Cb 0.11 -0.88 -0.11 0.00 -1.82 0.00 0.00 70.33 67.63 1c7m n THR 67 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1c7m s ASN 68 N -5.04 3.41 0.23 8.00 0.02 0.16 -4.13 114.94 117.59 1c7m s ASN 68 Ca -0.14 -3.43 -0.06 0.00 -1.02 0.00 0.00 52.86 48.20 1c7m s ASN 68 Cb 0.04 -1.12 0.37 0.00 0.02 0.00 0.00 41.25 40.56 1c7m s ASN 68 CO 0.25 -0.14 1.75 -0.65 0.02 0.00 0.00 177.10 178.34 1c7m h PRO 69 N 5.62 0.49 0.00 -0.60 0.11 -1.60 -2.43 132.00 133.59 1c7m h PRO 69 Ca 0.18 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1c7m h PRO 69 Cb 0.83 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1c7m h PRO 69 CO 0.56 0.32 0.00 1.57 -0.21 0.00 0.00 178.00 180.25 1c7m h LYS 70 N 0.51 0.00 -0.60 1.05 2.10 -1.88 -2.46 116.57 115.29 1c7m h LYS 70 Ca 0.37 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.91 1c7m h LYS 70 Cb 0.47 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.78 1c7m h LYS 70 CO -0.33 0.00 -0.02 0.00 -2.00 0.00 0.00 179.45 177.10 1c7m h ALA 71 N 2.01 0.82 0.00 0.07 0.00 -1.82 -2.76 119.26 117.58 1c7m h ALA 71 Ca 0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1c7m h ALA 71 Cb 0.75 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1c7m h ALA 71 CO 0.00 0.68 -0.32 0.28 0.00 0.00 0.00 179.25 179.88 1c7m h VAL 72 N 0.98 1.53 -3.54 0.00 2.07 -1.62 -3.42 116.25 112.25 1c7m h VAL 72 Ca 0.17 -1.98 -0.67 0.00 0.82 0.00 0.00 66.70 65.03 1c7m h VAL 72 Cb 0.59 2.75 -0.37 0.00 -1.52 0.00 0.00 31.29 32.73 1c7m h VAL 72 CO 0.03 0.55 -0.59 -0.69 0.02 0.00 0.00 177.57 176.90 1c7m s VAL 73 N -3.12 2.91 -0.91 2.57 1.01 -0.93 -5.06 120.40 116.88 1c7m s VAL 73 Ca -0.15 -2.50 -0.24 0.00 0.00 0.00 0.00 61.98 59.09 1c7m s VAL 73 Cb 0.01 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1c7m s VAL 73 CO 0.76 -0.71 1.88 -0.54 0.00 0.00 0.00 175.10 176.49 1c7m s LYS 74 N 0.65 2.69 0.00 2.72 -0.14 -1.04 -2.34 119.74 122.27 1c7m s LYS 74 Ca 0.12 -0.36 0.00 0.00 -1.36 0.00 0.00 55.97 54.37 1c7m s LYS 74 Cb -0.22 -5.07 0.00 0.00 -1.68 0.00 0.00 37.83 30.86 1c7m s LYS 74 CO -0.05 -3.20 0.00 0.41 -0.76 0.00 0.00 175.35 171.75 1c7m n GLY 75 N 6.81 0.82 3.75 -3.33 0.00 -1.26 -4.80 105.19 107.18 1c7m n GLY 75 Ca 0.38 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.23 4.08 -1.53 2.61 -1.32 -0.99 -4.51 115.64 112.76 1c7m s THR 76 Ca 0.00 2.05 0.00 0.00 -1.21 0.00 0.00 61.69 62.53 1c7m s THR 76 Cb 0.00 -4.31 0.00 0.00 -1.51 0.00 0.00 72.50 66.68 1c7m s THR 76 CO 0.00 0.47 0.35 0.29 -2.21 0.00 0.00 174.62 173.53 1c7m n LYS 77 N 1.62 0.46 -3.22 7.08 4.76 -1.26 -4.81 118.16 122.80 1c7m n LYS 77 Ca -0.01 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.00 1c7m n LYS 77 Cb 0.47 -1.11 -0.08 0.00 -1.84 0.00 0.00 35.03 32.48 1c7m n LYS 77 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1c7m s MET 78 N -1.53 3.27 -1.48 1.97 1.75 -1.26 -5.00 119.30 117.02 1c7m s MET 78 Ca 0.00 -0.49 -0.13 0.00 -1.25 0.00 0.00 55.69 53.83 1c7m s MET 78 Cb 0.00 -3.93 0.02 0.00 2.84 0.00 0.00 34.83 33.76 1c7m s MET 78 CO 0.00 -0.88 2.36 0.00 -0.65 0.00 0.00 175.02 175.85 1c7m n ALA 79 N 5.90 6.00 -3.46 4.11 0.00 -1.26 -4.92 120.51 126.88 1c7m n ALA 79 Ca -0.04 -3.85 -0.26 0.00 0.00 0.00 0.00 53.44 49.29 1c7m n ALA 79 Cb 0.48 -3.44 -0.17 0.00 0.00 0.00 0.00 19.45 16.32 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 2.65 1.66 -0.61 0.00 5.36 -1.26 -5.06 117.98 120.72 1c7m s PHE 80 Ca 0.51 -0.65 0.25 0.00 -0.96 0.00 0.00 56.93 56.09 1c7m s PHE 80 Cb 0.15 -1.20 0.74 0.00 -0.34 0.00 0.00 43.02 42.37 1c7m s PHE 80 CO -0.08 -0.32 1.74 0.00 -1.46 0.00 0.00 175.22 175.10 1c7m h ALA 81 N 7.01 1.00 0.00 11.12 0.00 -1.93 -3.43 119.26 133.02 1c7m h ALA 81 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1c7m h ALA 81 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1c7m h ALA 81 CO 0.47 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1c7m n GLY 82 N 1.08 2.85 3.78 0.00 0.00 -1.26 -4.83 105.19 106.81 1c7m n GLY 82 Ca 0.05 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.13 0.99 1.43 0.71 -4.92 118.68 121.23 1c7m s LEU 83 Ca 0.00 1.28 -0.18 0.00 -1.03 0.00 0.00 54.13 54.19 1c7m s LEU 83 Cb 0.00 -2.99 -0.16 0.00 0.03 0.00 0.00 46.19 43.07 1c7m s LEU 83 CO 0.00 0.16 0.42 1.55 0.23 0.00 0.00 176.35 178.71 1c7m h PRO 84 N 5.17 0.00 -6.76 1.29 0.13 -1.95 -3.41 132.00 126.47 1c7m h PRO 84 Ca -0.47 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.18 1c7m h PRO 84 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1c7m h PRO 84 CO 0.67 0.63 0.15 0.15 -0.23 0.00 0.00 178.00 179.37 1c7m s LYS 85 N -2.03 4.10 0.34 0.86 -0.14 -1.26 -5.01 119.74 116.60 1c7m s LYS 85 Ca -0.14 0.80 0.02 0.00 -1.36 0.00 0.00 55.97 55.28 1c7m s LYS 85 Cb -0.01 -2.48 0.59 0.00 -1.68 0.00 0.00 37.83 34.26 1c7m s LYS 85 CO 0.44 0.17 1.99 0.97 -0.76 0.00 0.00 175.35 178.16 1c7m h ILE 86 N 2.11 1.17 0.00 2.17 -0.00 -1.98 -2.55 117.51 118.43 1c7m h ILE 86 Ca -0.48 -0.37 -0.01 0.00 -0.00 0.00 0.00 64.86 64.00 1c7m h ILE 86 Cb 1.18 0.27 -0.00 0.00 -0.00 0.00 0.00 36.82 38.27 1c7m h ILE 86 CO 0.65 0.18 -0.06 1.05 -0.00 0.00 0.00 178.15 179.97 1c7m h GLU 87 N 0.87 0.00 0.59 2.19 4.11 -1.95 -1.03 114.58 119.36 1c7m h GLU 87 Ca 0.23 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.63 1c7m h GLU 87 Cb -0.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.20 1c7m h GLU 87 CO -0.04 0.06 -0.28 -0.44 0.07 0.00 0.00 179.01 178.37 1c7m h ASP 88 N 0.00 -0.67 -0.40 3.06 3.32 -1.83 -1.25 116.42 118.64 1c7m h ASP 88 Ca -0.00 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1c7m h ASP 88 Cb 0.10 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1c7m h ASP 88 CO 0.01 -0.44 0.10 0.08 -1.72 0.00 0.00 179.24 177.27 1c7m h ARG 89 N -0.86 0.64 -0.74 3.56 -0.00 -1.61 -2.48 114.38 112.90 1c7m h ARG 89 Ca -0.08 -0.15 0.03 0.00 -0.00 0.00 0.00 59.98 59.77 1c7m h ARG 89 Cb 0.63 -0.09 -0.04 0.00 -0.00 0.00 0.00 29.97 30.47 1c7m h ARG 89 CO 0.13 0.66 0.47 0.00 -0.00 0.00 0.00 179.97 181.23 1c7m h ALA 90 N 0.95 0.96 -0.34 0.08 0.00 -1.25 0.54 119.26 120.19 1c7m h ALA 90 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1c7m h ALA 90 Cb 0.30 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1c7m h ALA 90 CO 0.00 0.27 0.19 -0.91 0.00 0.00 0.00 179.25 178.80 1c7m h ASN 91 N 0.92 0.43 -0.30 0.00 2.35 -1.14 -1.40 115.58 116.45 1c7m h ASN 91 Ca 0.29 -0.09 0.06 0.00 -0.55 0.00 0.00 56.30 56.01 1c7m h ASN 91 Cb -0.01 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.20 1c7m h ASN 91 CO -0.10 0.40 -0.04 0.25 -1.65 0.00 0.00 177.43 176.29 1c7m h LEU 92 N 0.43 -0.21 -0.41 1.61 7.12 -1.34 -1.44 115.31 121.07 1c7m h LEU 92 Ca 0.12 0.08 -0.01 0.00 0.13 0.00 0.00 57.88 58.20 1c7m h LEU 92 Cb 0.06 0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 40.33 1c7m h LEU 92 CO -0.02 -0.07 0.21 0.40 -0.13 0.00 0.00 178.44 178.83 1c7m h ILE 93 N 0.04 1.17 -0.90 4.05 2.04 -0.85 -1.83 117.51 121.22 1c7m h ILE 93 Ca 0.15 -0.45 0.09 0.00 1.00 0.00 0.00 64.86 65.64 1c7m h ILE 93 Cb 0.21 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 1c7m h ILE 93 CO -0.28 0.18 0.55 0.00 0.00 0.00 0.00 178.15 178.59 1c7m h ALA 94 N 1.06 1.29 0.18 1.87 0.00 -1.28 -2.27 119.26 120.10 1c7m h ALA 94 Ca 0.14 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1c7m h ALA 94 Cb 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1c7m h ALA 94 CO -0.02 0.22 -0.19 -0.92 0.00 0.00 0.00 179.25 178.34 1c7m h TYR 95 N 0.93 -0.52 -0.13 0.00 3.20 -0.94 -3.29 116.97 116.23 1c7m h TYR 95 Ca 0.42 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.30 1c7m h TYR 95 Cb 0.33 0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.80 1c7m h TYR 95 CO -0.03 -0.25 0.00 1.47 -1.64 0.00 0.00 178.16 177.71 1c7m n LEU 96 N -3.46 0.89 0.21 2.82 -0.00 -0.72 -0.36 117.00 116.39 1c7m n LEU 96 Ca -0.04 -0.41 -0.15 0.00 -0.00 0.00 0.00 56.01 55.41 1c7m n LEU 96 Cb 0.17 -0.08 -0.08 0.00 -0.00 0.00 0.00 43.42 43.42 1c7m n LEU 96 CO 0.09 0.21 0.69 -0.33 -0.00 0.00 0.00 177.39 178.04 1c7m h GLU 97 N 1.08 -0.48 0.03 1.47 5.08 -1.53 -3.28 114.58 116.95 1c7m h GLU 97 Ca 0.00 0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1c7m h GLU 97 Cb 0.24 0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.61 1c7m h GLU 97 CO 0.00 -0.26 -0.21 0.78 -1.00 0.00 0.00 179.01 178.32 1c7m h GLY 98 N -0.60 0.09 -7.22 -3.84 0.00 -1.47 -3.45 103.07 86.59 1c7m h GLY 98 Ca -0.05 -0.22 -0.65 0.00 0.00 0.00 0.00 47.33 46.41 1c7m h GLY 98 CO 0.08 0.20 0.41 1.62 0.00 0.00 0.00 176.54 178.85 1c7m s GLN 99 N -2.31 3.12 0.00 4.80 0.74 0.52 -5.07 119.66 121.46 1c7m s GLN 99 Ca -0.18 -0.90 0.00 0.00 0.05 0.00 0.00 55.36 54.34 1c7m s GLN 99 Cb -0.02 -4.21 0.00 0.00 1.10 0.00 0.00 33.01 29.88 1c7m s GLN 99 CO 0.73 -1.68 0.00 0.00 -0.55 0.00 0.00 175.29 173.78