#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 1.68 -3.30 3.04 0.00 -1.26 -3.63 120.51 117.04 1c7m n ALA 2 Ca 0.00 -3.02 -0.40 0.00 0.00 0.00 0.00 53.44 50.03 1c7m n ALA 2 Cb 0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.33 5.59 0.41 0.00 -1.08 -1.26 -4.97 116.67 114.03 1c7m s ASP 3 Ca 0.35 -1.50 0.21 0.00 -0.52 0.00 0.00 52.55 51.09 1c7m s ASP 3 Cb 0.19 -1.97 0.85 0.00 -1.46 0.00 0.00 42.92 40.53 1c7m s ASP 3 CO -0.13 -0.52 1.81 1.55 0.52 0.00 0.00 175.17 178.39 1c7m h PRO 4 N 8.37 0.00 -0.08 4.34 0.13 -1.87 -1.84 132.00 141.05 1c7m h PRO 4 Ca -0.22 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.83 1c7m h PRO 4 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1c7m h PRO 4 CO 0.74 0.30 -0.30 0.00 -0.23 0.00 0.00 178.00 178.51 1c7m h ALA 5 N 1.70 1.35 -0.04 -0.56 0.00 -1.95 -2.09 119.26 117.68 1c7m h ALA 5 Ca -0.00 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 1c7m h ALA 5 Cb 0.77 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1c7m h ALA 5 CO 0.04 0.46 -0.67 0.00 0.00 0.00 0.00 179.25 179.08 1c7m h ALA 6 N 1.57 0.80 0.00 0.00 0.00 -1.89 -3.37 119.26 116.36 1c7m h ALA 6 Ca 0.02 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 1c7m h ALA 6 Cb 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1c7m h ALA 6 CO 0.04 0.78 -0.28 0.78 0.00 0.00 0.00 179.25 180.57 1c7m h GLY 7 N 1.63 0.00 1.03 0.00 0.00 -1.11 -3.06 103.07 101.56 1c7m h GLY 7 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.25 1c7m h GLY 7 CO 0.10 0.00 0.13 1.05 0.00 0.00 0.00 176.54 177.82 1c7m h GLU 8 N 0.00 1.00 -0.07 4.80 -0.00 -1.54 -0.06 114.58 118.70 1c7m h GLU 8 Ca -0.00 -0.25 -0.17 0.00 -0.00 0.00 0.00 59.36 58.94 1c7m h GLU 8 Cb 0.72 -0.13 -0.01 0.00 -0.00 0.00 0.00 28.75 29.34 1c7m h GLU 8 CO 0.04 0.92 -0.67 1.57 -0.00 0.00 0.00 179.01 180.87 1c7m h LYS 9 N 0.91 0.31 -0.85 1.06 2.10 -1.76 -2.83 116.57 115.51 1c7m h LYS 9 Ca 0.19 -0.24 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 1c7m h LYS 9 Cb 0.39 0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 31.72 1c7m h LYS 9 CO 0.01 0.87 0.50 0.28 -2.00 0.00 0.00 179.45 179.10 1c7m h VAL 10 N 0.22 1.24 -0.11 0.07 2.07 -1.53 -2.69 116.25 115.51 1c7m h VAL 10 Ca -0.02 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 66.99 1c7m h VAL 10 Cb 1.22 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1c7m h VAL 10 CO 0.11 0.26 0.15 0.15 0.02 0.00 0.00 177.57 178.26 1c7m h PHE 11 N 1.17 0.00 -0.74 1.57 3.57 -0.96 -3.14 116.94 118.41 1c7m h PHE 11 Ca 0.30 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.97 1c7m h PHE 11 Cb -0.02 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 1c7m h PHE 11 CO 0.00 0.00 0.50 0.78 -2.23 0.00 0.00 178.31 177.36 1c7m h GLY 12 N 0.00 0.54 1.42 2.40 0.00 -1.22 0.10 103.07 106.32 1c7m h GLY 12 Ca 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1c7m h GLY 12 CO -0.00 0.04 0.32 0.50 0.00 0.00 0.00 176.54 177.39 1c7m h LYS 13 N 0.31 0.76 0.01 4.80 6.56 -1.71 -3.20 116.57 124.10 1c7m h LYS 13 Ca 0.36 -0.07 -0.21 0.00 -1.06 0.00 0.00 60.65 59.67 1c7m h LYS 13 Cb 0.98 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 32.47 1c7m h LYS 13 CO -0.10 0.55 -0.91 0.00 -2.06 0.00 0.00 179.45 176.94 1c7m h LYS 15 N 0.15 0.35 -0.86 0.00 1.57 -1.05 0.60 116.57 117.33 1c7m h LYS 15 Ca -0.06 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1c7m h LYS 15 Cb 1.54 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.73 1c7m h LYS 15 CO 0.15 0.23 0.56 0.00 -0.57 0.00 0.00 179.45 179.82 1c7m h ALA 16 N 1.61 1.37 0.00 3.86 0.00 -1.82 -3.34 119.26 120.95 1c7m h ALA 16 Ca 0.45 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.14 1c7m h ALA 16 Cb 1.18 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1c7m h ALA 16 CO -0.15 0.58 -0.86 0.00 0.00 0.00 0.00 179.25 178.82 1c7m s HIS 18 N -2.30 3.05 -0.10 0.00 3.76 0.09 -1.24 115.29 118.56 1c7m s HIS 18 Ca -0.25 0.07 0.03 0.00 -0.15 0.00 0.00 55.06 54.76 1c7m s HIS 18 Cb 0.03 -1.77 -0.08 0.00 1.11 0.00 0.00 32.58 31.87 1c7m s HIS 18 CO 0.58 0.35 -0.05 1.63 -0.85 0.00 0.00 174.74 176.40 1c7m n LYS 19 N 2.33 1.11 -0.24 1.40 4.01 -1.26 -4.06 118.16 121.46 1c7m n LYS 19 Ca -0.18 0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.66 1c7m n LYS 19 Cb 0.53 -1.21 0.00 0.00 -0.51 0.00 0.00 35.03 33.84 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 -2.63 0.46 -3.08 -0.35 -0.00 -1.26 -4.88 117.00 105.26 1c7m n LEU 20 Ca -0.17 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.46 1c7m n LEU 20 Cb 0.72 -0.96 0.02 0.00 -0.00 0.00 0.00 43.42 43.20 1c7m n LEU 20 CO 0.13 -0.23 1.58 -0.90 -0.00 0.00 0.00 177.39 177.97 1c7m n ASP 21 N 0.00 7.38 0.00 1.45 5.68 -1.26 -4.36 116.55 125.43 1c7m n ASP 21 Ca 0.00 -3.66 0.00 0.00 -0.50 0.00 0.00 54.79 50.63 1c7m n ASP 21 Cb 0.00 -1.14 0.00 0.00 -1.14 0.00 0.00 41.12 38.84 1c7m n ASP 21 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c7m n GLY 22 N -0.06 0.82 3.80 6.12 0.00 -1.26 -5.01 105.19 109.60 1c7m n GLY 22 Ca 0.52 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.21 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 5.92 0.00 1.61 0.01 -1.26 -4.78 114.94 116.44 1c7m s ASN 23 Ca 0.00 1.89 0.00 0.00 -0.71 0.00 0.00 52.86 54.04 1c7m s ASN 23 Cb 0.00 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.11 1c7m s ASN 23 CO 0.00 -1.08 0.00 0.47 -1.51 0.00 0.00 177.10 174.98 1c7m n ASP 24 N -1.65 0.00 0.00 -1.22 9.92 -1.26 -3.67 116.55 118.67 1c7m n ASP 24 Ca 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.35 1c7m n ASP 24 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 1c7m n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1c7m n GLY 25 N 3.57 1.50 0.08 0.44 0.00 -1.26 -4.01 105.19 105.50 1c7m n GLY 25 Ca 0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 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 1.34 -3.55 1.61 0.31 -1.21 -5.01 118.33 111.82 1c7m n VAL 26 Ca 0.00 0.19 -0.36 0.00 -0.01 0.00 0.00 64.34 64.16 1c7m n VAL 26 Cb 0.00 -2.28 -0.06 0.00 -0.91 0.00 0.00 33.84 30.59 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 -4.58 2.40 0.73 2.92 0.00 -0.37 -5.01 107.32 103.41 1c7m s GLY 27 Ca -0.23 -0.31 -0.12 0.00 0.00 0.00 0.00 44.72 44.05 1c7m s GLY 27 CO 0.35 -0.02 1.10 2.56 0.00 0.00 0.00 173.10 177.09 1c7m s PRO 28 N -1.45 2.45 0.04 2.90 0.04 -1.26 -4.26 135.00 133.47 1c7m s PRO 28 Ca 0.27 1.27 -0.33 0.00 0.04 0.00 0.00 61.00 62.25 1c7m s PRO 28 Cb -0.15 -1.91 -0.12 0.00 0.04 0.00 0.00 34.50 32.35 1c7m s PRO 28 CO 0.15 -1.50 1.76 -2.39 0.04 0.00 0.00 177.00 175.06 1c7m n HIS 29 N -3.07 2.36 -0.29 0.56 1.44 -1.24 -4.68 115.22 110.30 1c7m n HIS 29 Ca 0.10 0.06 0.06 0.00 -2.01 0.00 0.00 57.72 55.93 1c7m n HIS 29 Cb 0.53 -2.63 0.29 0.00 0.12 0.00 0.00 29.99 28.30 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 5.27 4.25 -4.59 2.39 4.77 -1.26 -4.85 117.00 122.98 1c7m n LEU 30 Ca 0.20 -2.15 -0.42 0.00 -0.03 0.00 0.00 56.01 53.60 1c7m n LEU 30 Cb 0.31 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 1c7m n LEU 30 CO 0.68 0.58 1.81 0.54 -1.33 0.00 0.00 177.39 179.67 1c7m s ASN 31 N -0.67 5.39 -0.56 -1.43 2.20 -1.26 -2.24 114.94 116.37 1c7m s ASN 31 Ca 0.40 1.64 0.00 0.00 -0.94 0.00 0.00 52.86 53.97 1c7m s ASN 31 Cb 0.29 -2.51 0.00 0.00 -2.00 0.00 0.00 41.25 37.03 1c7m s ASN 31 CO 0.15 -2.05 0.00 0.61 -2.94 0.00 0.00 177.10 172.87 1c7m n GLY 32 N 5.74 0.54 0.24 0.45 0.00 -1.25 -5.00 105.19 105.91 1c7m n GLY 32 Ca 0.29 -0.73 0.01 0.00 0.00 0.00 0.00 46.02 45.59 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 1.20 -2.40 1.61 3.04 -1.66 -3.31 116.25 114.72 1c7m h VAL 33 Ca -0.13 -0.86 -0.54 0.00 -1.01 0.00 0.00 66.70 64.17 1c7m h VAL 33 Cb 0.68 1.19 -0.04 0.00 -2.01 0.00 0.00 31.29 31.12 1c7m h VAL 33 CO 0.17 0.27 1.28 -0.69 -1.01 0.00 0.00 177.57 177.60 1c7m s VAL 34 N -4.73 3.48 0.00 1.51 1.01 -1.26 -1.83 120.40 118.58 1c7m s VAL 34 Ca -0.06 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1c7m s VAL 34 Cb 0.15 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1c7m s VAL 34 CO 0.75 -0.73 0.00 0.61 0.00 0.00 0.00 175.10 175.73 1c7m n GLY 35 N 5.51 0.40 3.93 4.51 0.00 0.38 -4.93 105.19 114.99 1c7m n GLY 35 Ca 0.20 0.00 -0.25 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 -0.88 3.47 0.74 1.61 3.52 -0.76 -4.78 118.95 121.87 1c7m s ARG 36 Ca 0.00 -0.11 -0.16 0.00 -0.13 0.00 0.00 55.73 55.33 1c7m s ARG 36 Cb 0.00 -2.53 0.01 0.00 -1.56 0.00 0.00 34.95 30.87 1c7m s ARG 36 CO 0.00 -0.04 0.95 -2.37 -0.81 0.00 0.00 175.30 173.03 1c7m n THR 37 N -2.02 2.59 -2.35 4.11 5.66 -1.26 -0.29 114.28 120.72 1c7m n THR 37 Ca -0.02 -0.35 -0.41 0.00 -3.05 0.00 0.00 64.05 60.22 1c7m n THR 37 Cb 0.56 -1.08 -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 -1.87 3.37 -1.21 1.08 1.01 -0.09 -2.78 120.40 119.91 1c7m s VAL 38 Ca 0.72 1.26 -0.06 0.00 0.00 0.00 0.00 61.98 63.90 1c7m s VAL 38 Cb -0.34 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.25 1c7m s VAL 38 CO 0.51 0.25 0.76 0.00 0.00 0.00 0.00 175.10 176.62 1c7m n ALA 39 N 1.78 -0.95 -1.95 5.51 0.00 -1.26 -3.92 120.51 119.72 1c7m n ALA 39 Ca 0.02 0.29 -0.36 0.00 0.00 0.00 0.00 53.44 53.39 1c7m n ALA 39 Cb 0.44 -4.03 -0.00 0.00 0.00 0.00 0.00 19.45 15.86 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 -1.58 5.25 2.62 0.00 0.00 -1.12 -4.71 105.19 105.65 1c7m n GLY 40 Ca -0.04 -2.26 -0.25 0.00 0.00 0.00 0.00 46.02 43.47 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 -3.47 -0.15 -0.64 1.61 1.01 -1.26 -4.94 120.40 112.56 1c7m s VAL 41 Ca 0.52 -0.44 -0.27 0.00 0.00 0.00 0.00 61.98 61.79 1c7m s VAL 41 Cb 0.33 -0.80 -0.00 0.00 0.00 0.00 0.00 36.38 35.91 1c7m s VAL 41 CO -0.25 -0.48 1.66 -1.81 0.00 0.00 0.00 175.10 174.22 1c7m s ASP 42 N 2.17 5.60 0.00 3.32 1.01 -1.26 -2.47 116.67 125.05 1c7m s ASP 42 Ca 0.06 0.11 0.00 0.00 0.71 0.00 0.00 52.55 53.44 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 -0.24 -2.17 0.00 0.61 0.21 0.00 0.00 175.17 173.59 1c7m n GLY 43 N 5.57 3.34 3.74 0.21 0.00 -1.26 -5.14 105.19 111.66 1c7m n GLY 43 Ca 0.15 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 3.79 -0.88 1.61 5.36 -1.03 -5.02 117.98 121.81 1c7m s PHE 44 Ca 0.00 1.78 -0.25 0.00 -0.96 0.00 0.00 56.93 57.50 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 1.36 1.21 -1.46 0.00 0.00 175.22 176.37 1c7m s ASN 45 N -0.32 6.34 0.63 6.13 2.47 -1.26 -4.92 114.94 124.01 1c7m s ASN 45 Ca 0.46 -0.98 -0.11 0.00 0.42 0.00 0.00 52.86 52.65 1c7m s ASN 45 Cb -0.26 -2.56 -0.03 0.00 -1.45 0.00 0.00 41.25 36.95 1c7m s ASN 45 CO 0.32 -1.66 1.04 -0.31 -3.72 0.00 0.00 177.10 172.77 1c7m s TYR 46 N 5.28 3.58 0.79 0.43 2.02 -1.26 -5.08 117.35 123.10 1c7m s TYR 46 Ca 0.40 1.25 -0.11 0.00 -0.37 0.00 0.00 57.07 58.24 1c7m s TYR 46 Cb -0.04 -2.78 0.07 0.00 -0.40 0.00 0.00 41.96 38.80 1c7m s TYR 46 CO 0.02 -0.78 1.10 -1.54 -1.57 0.00 0.00 175.55 172.79 1c7m s SER 47 N -4.21 4.31 0.13 2.29 1.04 -1.26 -4.83 113.70 111.17 1c7m s SER 47 Ca 0.56 1.89 -0.21 0.00 0.48 0.00 0.00 55.95 58.67 1c7m s SER 47 Cb -0.11 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.46 1c7m s SER 47 CO 0.54 -2.17 1.68 -0.78 0.98 0.00 0.00 173.24 173.49 1c7m h ASP 48 N -1.15 -0.38 0.76 7.02 1.82 -1.98 -1.40 116.42 121.11 1c7m h ASP 48 Ca -0.44 0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 56.26 1c7m h ASP 48 Cb 1.24 0.19 -0.00 0.00 0.68 0.00 0.00 39.33 41.44 1c7m h ASP 48 CO 0.50 -0.15 -0.13 1.55 -1.61 0.00 0.00 179.24 179.40 1c7m h PRO 49 N -0.12 0.00 0.02 0.28 0.13 -1.85 -0.54 132.00 129.92 1c7m h PRO 49 Ca 0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.23 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 -0.24 0.13 -0.01 1.98 -0.23 0.00 0.00 178.00 179.63 1c7m h MET 50 N 0.00 -0.02 -0.60 0.86 -1.53 -1.75 -2.28 114.93 109.61 1c7m h MET 50 Ca -0.00 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1c7m h MET 50 Cb 0.55 0.01 -0.03 0.00 -0.55 0.00 0.00 31.60 31.57 1c7m h MET 50 CO 0.02 0.17 0.37 0.87 0.14 0.00 0.00 176.91 178.47 1c7m h LYS 51 N -0.21 0.80 0.00 0.39 1.79 -1.16 -3.15 116.57 115.03 1c7m h LYS 51 Ca -0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1c7m h LYS 51 Cb 0.20 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1c7m h LYS 51 CO 0.00 0.56 0.00 0.00 -1.08 0.00 0.00 179.45 178.94 1c7m h ALA 52 N 1.19 1.00 0.57 3.86 0.00 -1.17 -3.19 119.26 121.52 1c7m h ALA 52 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1c7m h ALA 52 Cb -0.04 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1c7m h ALA 52 CO -0.04 0.00 -0.27 1.25 0.00 0.00 0.00 179.25 180.19 1c7m h HIS 53 N 0.00 -0.71 0.00 0.00 -0.00 -1.36 -3.49 115.15 109.60 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 0.27 0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 1c7m h HIS 53 CO 0.00 -0.44 0.00 0.41 -0.00 0.00 0.00 177.93 177.90 1c7m n GLY 54 N -0.81 3.74 7.00 5.26 0.00 -1.21 -4.88 105.19 114.30 1c7m n GLY 54 Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 2.66 3.51 -0.02 0.00 -1.26 -0.91 105.19 109.17 1c7m n GLY 55 Ca 0.00 0.30 -0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.52 -1.01 1.61 1.11 -1.26 -4.38 116.67 108.22 1c7m s ASP 56 Ca 0.00 0.37 -0.16 0.00 0.18 0.00 0.00 52.55 52.94 1c7m s ASP 56 Cb 0.00 0.47 0.16 0.00 1.07 0.00 0.00 42.92 44.61 1c7m s ASP 56 CO 0.00 -0.62 1.18 0.26 1.18 0.00 0.00 175.17 177.18 1c7m s TRP 57 N -2.03 3.34 0.70 4.23 0.23 0.60 -4.70 118.94 121.31 1c7m s TRP 57 Ca -0.04 -1.72 -0.12 0.00 -2.03 0.00 0.00 56.10 52.19 1c7m s TRP 57 Cb -0.00 -4.23 0.01 0.00 0.03 0.00 0.00 33.47 29.28 1c7m s TRP 57 CO -0.00 -1.39 1.07 0.95 0.96 0.00 0.00 176.95 178.54 1c7m s THR 58 N 1.96 3.70 -0.06 2.01 -4.23 -1.26 -0.47 115.64 117.29 1c7m s THR 58 Ca 0.34 0.62 -0.03 0.00 -1.18 0.00 0.00 61.69 61.44 1c7m s THR 58 Cb -0.05 -3.22 -0.13 0.00 1.34 0.00 0.00 72.50 70.44 1c7m s THR 58 CO -0.07 -0.66 2.10 -0.81 -0.54 0.00 0.00 174.62 174.64 1c7m n PRO 59 N -2.99 1.08 0.13 3.99 -0.04 -1.26 -2.12 135.00 133.80 1c7m n PRO 59 Ca 0.08 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.97 1c7m n PRO 59 Cb 0.53 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 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 2.85 0.00 -0.23 0.54 2.13 -1.26 -4.73 120.64 119.93 1c7m n GLU 60 Ca 0.23 0.00 0.01 0.00 0.66 0.00 0.00 57.16 58.06 1c7m n GLU 60 Cb 0.45 0.00 0.13 0.00 0.27 0.00 0.00 31.44 32.29 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 0.93 -0.55 4.31 0.00 -1.92 -2.30 119.26 119.72 1c7m h ALA 61 Ca 0.00 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1c7m h ALA 61 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1c7m h ALA 61 CO 0.00 -0.08 0.37 -0.07 0.00 0.00 0.00 179.25 179.47 1c7m h LEU 62 N 0.56 0.57 -1.37 0.00 3.38 -1.75 -0.76 115.31 115.94 1c7m h LEU 62 Ca 0.34 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.24 1c7m h LEU 62 Cb 0.37 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1c7m h LEU 62 CO -0.27 0.40 -0.30 1.56 0.09 0.00 0.00 178.44 179.92 1c7m h GLN 63 N 0.67 0.00 0.05 1.13 4.20 -1.67 0.19 115.11 119.67 1c7m h GLN 63 Ca 0.22 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.78 1c7m h GLN 63 Cb 0.05 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1c7m h GLN 63 CO -0.06 0.30 -0.73 1.49 -0.67 0.00 0.00 178.83 179.16 1c7m h GLU 64 N 0.00 0.11 -0.90 1.46 4.57 -1.48 -3.37 114.58 114.97 1c7m h GLU 64 Ca -0.00 -0.19 0.06 0.00 -1.18 0.00 0.00 59.36 58.05 1c7m h GLU 64 Cb 0.61 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 29.21 1c7m h GLU 64 CO 0.04 1.09 0.57 0.35 -1.18 0.00 0.00 179.01 179.88 1c7m h PHE 65 N -0.73 1.05 0.00 0.92 3.57 -1.13 -0.03 116.94 120.60 1c7m h PHE 65 Ca -0.17 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1c7m h PHE 65 Cb 1.36 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.75 1c7m h PHE 65 CO 0.19 0.54 0.00 1.28 -2.23 0.00 0.00 178.31 178.09 1c7m n LEU 66 N -4.58 0.00 -0.10 0.59 4.77 0.65 -1.57 117.00 116.76 1c7m n LEU 66 Ca 0.13 0.42 -0.13 0.00 -0.03 0.00 0.00 56.01 56.40 1c7m n LEU 66 Cb 0.18 -0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 40.75 1c7m n LEU 66 CO 0.31 -0.22 -1.13 0.41 -1.33 0.00 0.00 177.39 175.43 1c7m n THR 67 N -1.42 1.15 -3.59 -5.08 -1.04 -0.86 0.00 114.28 103.43 1c7m n THR 67 Ca 0.05 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.05 61.27 1c7m n THR 67 Cb 0.14 -1.07 -0.11 0.00 -1.82 0.00 0.00 70.33 67.47 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 -5.73 2.89 0.19 8.00 0.02 -0.08 -4.13 114.94 116.09 1c7m s ASN 68 Ca -0.23 -3.12 -0.12 0.00 -1.02 0.00 0.00 52.86 48.37 1c7m s ASN 68 Cb 0.06 -0.87 0.20 0.00 0.02 0.00 0.00 41.25 40.67 1c7m s ASN 68 CO 0.51 -0.18 1.73 -0.65 0.02 0.00 0.00 177.10 178.54 1c7m h PRO 69 N 5.90 0.30 0.00 -0.60 0.11 -1.51 -2.52 132.00 133.69 1c7m h PRO 69 Ca 0.16 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1c7m h PRO 69 Cb 0.88 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1c7m h PRO 69 CO 0.48 0.20 0.00 0.87 -0.21 0.00 0.00 178.00 179.34 1c7m h LYS 70 N 0.31 0.00 -0.14 1.05 1.57 -1.88 -1.63 116.57 115.85 1c7m h LYS 70 Ca 0.26 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.91 1c7m h LYS 70 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1c7m h LYS 70 CO -0.29 0.00 -0.42 0.00 -0.57 0.00 0.00 179.45 178.17 1c7m h ALA 71 N 2.12 0.24 0.00 3.86 0.00 -1.85 -3.17 119.26 120.47 1c7m h ALA 71 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1c7m h ALA 71 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1c7m h ALA 71 CO 0.00 0.36 -0.01 0.28 0.00 0.00 0.00 179.25 179.88 1c7m h VAL 72 N 0.16 1.67 -3.47 0.00 2.07 -1.54 -3.41 116.25 111.74 1c7m h VAL 72 Ca -0.01 -1.99 -0.71 0.00 0.82 0.00 0.00 66.70 64.81 1c7m h VAL 72 Cb 1.04 3.02 -0.33 0.00 -1.52 0.00 0.00 31.29 33.51 1c7m h VAL 72 CO 0.09 0.52 -0.41 -0.69 0.02 0.00 0.00 177.57 177.10 1c7m s VAL 73 N -2.84 3.83 -0.47 2.57 1.01 -0.62 -5.07 120.40 118.81 1c7m s VAL 73 Ca -0.18 -2.29 -0.28 0.00 0.00 0.00 0.00 61.98 59.23 1c7m s VAL 73 Cb -0.02 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.83 1c7m s VAL 73 CO 0.69 -0.80 1.57 -0.54 0.00 0.00 0.00 175.10 176.03 1c7m s LYS 74 N 0.76 3.28 0.00 2.72 1.02 -1.20 -2.28 119.74 124.05 1c7m s LYS 74 Ca 0.11 0.85 0.00 0.00 0.02 0.00 0.00 55.97 56.95 1c7m s LYS 74 Cb -0.22 -4.15 0.00 0.00 -0.52 0.00 0.00 37.83 32.94 1c7m s LYS 74 CO -0.03 -1.93 0.00 0.41 -0.92 0.00 0.00 175.35 172.87 1c7m n GLY 75 N 5.31 0.94 3.71 -3.33 0.00 -1.26 -4.74 105.19 105.82 1c7m n GLY 75 Ca 0.17 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.45 4.52 -0.67 2.61 -1.32 -0.97 -4.55 115.64 112.82 1c7m s THR 76 Ca 0.00 1.84 0.00 0.00 -1.21 0.00 0.00 61.69 62.32 1c7m s THR 76 Cb 0.00 -4.18 0.00 0.00 -1.51 0.00 0.00 72.50 66.81 1c7m s THR 76 CO 0.00 0.16 0.42 2.29 -2.21 0.00 0.00 174.62 175.27 1c7m n LYS 77 N 3.79 0.63 -2.98 7.08 2.85 -1.26 -4.74 118.16 123.53 1c7m n LYS 77 Ca 0.07 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.89 1c7m n LYS 77 Cb 0.49 -1.27 -0.05 0.00 -0.65 0.00 0.00 35.03 33.55 1c7m n LYS 77 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1c7m s MET 78 N -0.55 3.21 -1.38 -1.58 1.75 -1.26 -4.99 119.30 114.49 1c7m s MET 78 Ca 0.00 -0.64 -0.16 0.00 -1.25 0.00 0.00 55.69 53.65 1c7m s MET 78 Cb 0.00 -4.10 0.04 0.00 2.84 0.00 0.00 34.83 33.61 1c7m s MET 78 CO 0.00 -1.42 2.06 0.00 -0.65 0.00 0.00 175.02 175.01 1c7m n ALA 79 N 6.90 4.79 -3.62 4.11 0.00 -1.26 -4.91 120.51 126.52 1c7m n ALA 79 Ca -0.03 -3.84 -0.23 0.00 0.00 0.00 0.00 53.44 49.34 1c7m n ALA 79 Cb 0.46 -3.56 -0.17 0.00 0.00 0.00 0.00 19.45 16.18 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 3.69 1.06 -0.41 0.00 5.36 -1.26 -5.06 117.98 121.36 1c7m s PHE 80 Ca 0.50 -0.37 0.25 0.00 -0.96 0.00 0.00 56.93 56.34 1c7m s PHE 80 Cb 0.11 -0.87 0.57 0.00 -0.34 0.00 0.00 43.02 42.48 1c7m s PHE 80 CO -0.03 -0.27 1.69 0.00 -1.46 0.00 0.00 175.22 175.16 1c7m h ALA 81 N 7.32 1.00 0.00 11.12 0.00 -1.93 -3.43 119.26 133.34 1c7m h ALA 81 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1c7m h ALA 81 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1c7m h ALA 81 CO 0.45 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.11 1c7m n GLY 82 N 0.96 3.16 3.74 0.00 0.00 -1.26 -4.80 105.19 106.98 1c7m n GLY 82 Ca 0.04 -1.67 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.15 0.99 1.43 0.10 -4.92 118.68 120.60 1c7m s LEU 83 Ca 0.00 1.54 -0.25 0.00 -1.03 0.00 0.00 54.13 54.39 1c7m s LEU 83 Cb 0.00 -3.32 -0.22 0.00 0.03 0.00 0.00 46.19 42.68 1c7m s LEU 83 CO 0.00 0.01 0.58 1.55 0.23 0.00 0.00 176.35 178.72 1c7m h PRO 84 N 5.56 0.00 -6.61 1.29 0.13 -1.95 -3.40 132.00 127.02 1c7m h PRO 84 Ca -0.44 0.00 -0.51 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 0.71 0.92 0.07 0.15 -0.23 0.00 0.00 178.00 179.62 1c7m s LYS 85 N -2.21 4.08 0.28 0.86 -0.14 -1.26 -5.01 119.74 116.34 1c7m s LYS 85 Ca -0.20 0.70 -0.00 0.00 -1.36 0.00 0.00 55.97 55.11 1c7m s LYS 85 Cb -0.01 -2.65 0.49 0.00 -1.68 0.00 0.00 37.83 33.98 1c7m s LYS 85 CO 0.62 0.28 1.86 0.97 -0.76 0.00 0.00 175.35 178.31 1c7m h ILE 86 N 2.32 0.99 -0.86 2.17 -0.00 -1.98 -2.56 117.51 117.59 1c7m h ILE 86 Ca -0.48 -0.37 0.11 0.00 -0.00 0.00 0.00 64.86 64.12 1c7m h ILE 86 Cb 1.18 -0.18 -0.06 0.00 -0.00 0.00 0.00 36.82 37.76 1c7m h ILE 86 CO 0.66 0.20 0.56 -0.33 -0.00 0.00 0.00 178.15 179.23 1c7m h GLU 87 N 1.08 0.76 0.63 2.19 3.07 -1.95 -1.49 114.58 118.87 1c7m h GLU 87 Ca 0.47 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 59.25 1c7m h GLU 87 Cb 0.35 -0.17 0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1c7m h GLU 87 CO -0.23 0.51 -0.30 -0.44 -1.40 0.00 0.00 179.01 177.15 1c7m h ASP 88 N 0.79 -0.71 -0.61 1.42 3.32 -1.86 -1.46 116.42 117.31 1c7m h ASP 88 Ca 0.41 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.41 1c7m h ASP 88 Cb 0.49 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 1c7m h ASP 88 CO -0.17 -0.36 0.28 0.08 -1.72 0.00 0.00 179.24 177.34 1c7m h ARG 89 N -1.08 0.89 -0.43 3.56 -0.00 -1.62 -2.05 114.38 113.64 1c7m h ARG 89 Ca -0.09 -0.14 -0.01 0.00 -0.00 0.00 0.00 59.98 59.75 1c7m h ARG 89 Cb 0.69 -0.16 -0.02 0.00 -0.00 0.00 0.00 29.97 30.48 1c7m h ARG 89 CO 0.14 0.73 0.24 0.00 -0.00 0.00 0.00 179.97 181.08 1c7m h ALA 90 N 1.12 0.56 -0.45 0.08 0.00 -1.35 0.11 119.26 119.33 1c7m h ALA 90 Ca 0.21 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1c7m h ALA 90 Cb 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1c7m h ALA 90 CO -0.02 0.08 0.28 -0.91 0.00 0.00 0.00 179.25 178.67 1c7m h ASN 91 N 0.57 0.53 -0.65 0.00 2.35 -1.32 -1.72 115.58 115.33 1c7m h ASN 91 Ca 0.15 -0.05 0.09 0.00 -0.55 0.00 0.00 56.30 55.94 1c7m h ASN 91 Cb 0.05 -0.13 -0.07 0.00 0.05 0.00 0.00 38.32 38.22 1c7m h ASN 91 CO -0.02 0.42 0.29 0.25 -1.65 0.00 0.00 177.43 176.72 1c7m h LEU 92 N 0.60 0.36 -1.34 1.61 7.12 -1.34 -2.01 115.31 120.30 1c7m h LEU 92 Ca 0.16 0.06 -0.02 0.00 0.13 0.00 0.00 57.88 58.21 1c7m h LEU 92 Cb -0.02 0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.10 1c7m h LEU 92 CO -0.03 0.21 0.16 0.40 -0.13 0.00 0.00 178.44 179.05 1c7m h ILE 93 N 0.51 1.17 -0.30 4.05 2.04 -0.62 0.71 117.51 125.07 1c7m h ILE 93 Ca 0.32 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1c7m h ILE 93 Cb 0.35 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1c7m h ILE 93 CO -0.27 0.20 0.18 0.00 0.00 0.00 0.00 178.15 178.26 1c7m h ALA 94 N 1.58 0.38 -0.12 1.87 0.00 -1.17 -2.49 119.26 119.31 1c7m h ALA 94 Ca 0.15 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1c7m h ALA 94 Cb 0.14 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1c7m h ALA 94 CO -0.01 -0.11 -0.21 -0.92 0.00 0.00 0.00 179.25 177.99 1c7m h TYR 95 N 0.38 -0.56 0.00 0.00 3.20 -1.06 -2.45 116.97 116.48 1c7m h TYR 95 Ca 0.11 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 1c7m h TYR 95 Cb 0.02 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 1c7m h TYR 95 CO -0.04 -0.29 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.02 1c7m h LEU 96 N -0.28 0.00 0.03 2.82 3.38 -0.91 0.17 115.31 120.53 1c7m h LEU 96 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1c7m h LEU 96 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1c7m h LEU 96 CO -0.28 0.09 -0.01 -0.33 0.09 0.00 0.00 178.44 178.00 1c7m h GLU 97 N 0.00 -0.04 -0.03 1.13 5.08 -1.42 -3.34 114.58 115.96 1c7m h GLU 97 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1c7m h GLU 97 Cb 0.19 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1c7m h GLU 97 CO 0.01 0.29 -0.32 0.78 -1.00 0.00 0.00 179.01 178.77 1c7m h GLY 98 N -0.37 0.30 -7.44 -3.84 0.00 -1.13 -3.43 103.07 87.16 1c7m h GLY 98 Ca -0.00 -0.47 -0.68 0.00 0.00 0.00 0.00 47.33 46.18 1c7m h GLY 98 CO 0.01 0.41 0.97 1.62 0.00 0.00 0.00 176.54 179.55 1c7m s GLN 99 N -3.37 3.64 0.00 4.80 2.00 0.58 -5.09 119.66 122.22 1c7m s GLN 99 Ca -0.15 -1.76 0.00 0.00 -2.00 0.00 0.00 55.36 51.45 1c7m s GLN 99 Cb 0.02 -4.99 0.00 0.00 0.80 0.00 0.00 33.01 28.85 1c7m s GLN 99 CO 0.76 -1.83 0.00 0.00 -0.50 0.00 0.00 175.29 173.73