#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c7m s ALA 2 N 0.00 4.40 -0.35 3.04 0.00 -1.26 -2.20 121.76 125.38 1c7m s ALA 2 Ca 0.00 -3.68 0.04 0.00 0.00 0.00 0.00 51.96 48.32 1c7m s ALA 2 Cb 0.00 -3.35 0.10 0.00 0.00 0.00 0.00 23.12 19.88 1c7m s ALA 2 CO 0.00 -2.20 0.07 -0.51 0.00 0.00 0.00 175.76 173.12 1c7m s ASP 3 N 1.19 4.65 0.25 0.00 1.11 -1.26 -4.98 116.67 117.63 1c7m s ASP 3 Ca 0.26 -2.20 0.25 0.00 0.18 0.00 0.00 52.55 51.04 1c7m s ASP 3 Cb -0.10 -1.56 0.94 0.00 1.07 0.00 0.00 42.92 43.28 1c7m s ASP 3 CO -0.09 -0.37 1.74 -0.81 1.18 0.00 0.00 175.17 176.82 1c7m n PRO 4 N 4.19 0.22 -0.15 8.23 -0.04 -1.26 -1.70 135.00 144.49 1c7m n PRO 4 Ca 0.04 0.37 -0.05 0.00 -0.04 0.00 0.00 63.50 63.82 1c7m n PRO 4 Cb 0.41 -1.87 0.13 0.00 -0.04 0.00 0.00 33.50 32.13 1c7m n PRO 4 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1c7m h ALA 5 N 2.33 1.06 0.03 0.55 0.00 -1.95 -2.69 119.26 118.58 1c7m h ALA 5 Ca 0.00 -0.26 -0.24 0.00 0.00 0.00 0.00 54.91 54.42 1c7m h ALA 5 Cb 0.47 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1c7m h ALA 5 CO 0.00 0.60 -1.00 0.00 0.00 0.00 0.00 179.25 178.85 1c7m h ALA 6 N 1.21 0.31 0.00 0.00 0.00 -1.87 -3.39 119.26 115.52 1c7m h ALA 6 Ca 0.17 -0.75 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 1c7m h ALA 6 Cb 0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1c7m h ALA 6 CO 0.01 0.85 -0.19 0.78 0.00 0.00 0.00 179.25 180.70 1c7m h GLY 7 N 1.32 0.00 0.96 0.00 0.00 -1.34 -2.23 103.07 101.79 1c7m h GLY 7 Ca -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 1c7m h GLY 7 CO 0.17 0.00 0.10 1.05 0.00 0.00 0.00 176.54 177.86 1c7m h GLU 8 N 0.00 0.73 -0.09 4.80 4.11 -1.67 -0.10 114.58 122.36 1c7m h GLU 8 Ca -0.00 -0.18 -0.13 0.00 0.07 0.00 0.00 59.36 59.11 1c7m h GLU 8 Cb 0.35 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1c7m h GLU 8 CO 0.03 0.73 -0.54 1.57 0.07 0.00 0.00 179.01 180.87 1c7m h LYS 9 N 0.60 0.25 -0.80 1.06 2.10 -1.74 -2.74 116.57 115.29 1c7m h LYS 9 Ca 0.14 -0.15 -0.04 0.00 -2.00 0.00 0.00 60.65 58.59 1c7m h LYS 9 Cb 0.34 0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 31.65 1c7m h LYS 9 CO 0.00 0.72 0.33 0.28 -2.00 0.00 0.00 179.45 178.78 1c7m h VAL 10 N 0.19 1.26 -0.13 0.07 2.07 -1.43 -3.07 116.25 115.22 1c7m h VAL 10 Ca 0.00 -0.82 0.04 0.00 0.82 0.00 0.00 66.70 66.74 1c7m h VAL 10 Cb 1.01 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1c7m h VAL 10 CO 0.08 0.34 0.11 0.15 0.02 0.00 0.00 177.57 178.27 1c7m h PHE 11 N 1.16 0.00 -0.81 1.57 3.57 -0.91 -3.10 116.94 118.42 1c7m h PHE 11 Ca 0.27 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.98 1c7m h PHE 11 Cb 0.21 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 1c7m h PHE 11 CO 0.02 0.00 0.56 0.78 -2.23 0.00 0.00 178.31 177.44 1c7m h GLY 12 N 0.00 0.27 1.48 2.40 0.00 -1.38 -0.70 103.07 105.13 1c7m h GLY 12 Ca 0.06 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1c7m h GLY 12 CO -0.00 0.00 -0.08 0.50 0.00 0.00 0.00 176.54 176.96 1c7m h LYS 13 N 0.13 0.63 -0.14 4.80 6.56 -1.71 -3.22 116.57 123.61 1c7m h LYS 13 Ca 0.40 -0.18 -0.15 0.00 -1.06 0.00 0.00 60.65 59.65 1c7m h LYS 13 Cb 1.36 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 32.94 1c7m h LYS 13 CO -0.06 0.71 -0.56 0.00 -2.06 0.00 0.00 179.45 177.48 1c7m h LYS 15 N 0.34 0.00 -0.84 0.00 1.57 -1.24 0.04 116.57 116.44 1c7m h LYS 15 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1c7m h LYS 15 Cb 1.09 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 1c7m h LYS 15 CO 0.10 0.00 0.41 0.00 -0.57 0.00 0.00 179.45 179.39 1c7m h ALA 16 N 1.71 1.08 0.09 3.86 0.00 -1.79 -3.36 119.26 120.84 1c7m h ALA 16 Ca 0.16 -0.15 -0.33 0.00 0.00 0.00 0.00 54.91 54.59 1c7m h ALA 16 Cb 0.77 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1c7m h ALA 16 CO -0.00 0.63 -1.79 0.00 0.00 0.00 0.00 179.25 178.09 1c7m s HIS 18 N -2.50 2.37 0.03 0.00 3.76 -0.09 -1.17 115.29 117.69 1c7m s HIS 18 Ca -0.25 -0.42 0.07 0.00 -0.15 0.00 0.00 55.06 54.31 1c7m s HIS 18 Cb 0.07 -1.51 -0.02 0.00 1.11 0.00 0.00 32.58 32.22 1c7m s HIS 18 CO 0.71 -0.02 -0.20 0.15 -0.85 0.00 0.00 174.74 174.53 1c7m s LYS 19 N -0.61 1.42 0.24 1.40 3.01 -1.16 -3.98 119.74 120.07 1c7m s LYS 19 Ca 0.10 -0.88 0.03 0.00 -1.01 0.00 0.00 55.97 54.21 1c7m s LYS 19 Cb -0.10 -1.49 0.27 0.00 -1.01 0.00 0.00 37.83 35.49 1c7m s LYS 19 CO -0.01 0.39 1.58 -0.07 0.51 0.00 0.00 175.35 177.75 1c7m h LEU 20 N 5.04 0.34 -4.55 3.17 3.38 -1.93 -2.98 115.31 117.78 1c7m h LEU 20 Ca -0.41 -0.18 -0.44 0.00 0.09 0.00 0.00 57.88 56.94 1c7m h LEU 20 Cb 1.16 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.73 1c7m h LEU 20 CO 0.45 0.82 1.08 -0.67 0.09 0.00 0.00 178.44 180.21 1c7m n ASP 21 N -3.93 6.66 -2.54 -0.43 -0.08 -1.26 -4.29 116.55 110.69 1c7m n ASP 21 Ca -0.02 -2.75 -0.20 0.00 -1.51 0.00 0.00 54.79 50.31 1c7m n ASP 21 Cb 0.58 -1.40 -0.00 0.00 2.34 0.00 0.00 41.12 42.64 1c7m n ASP 21 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1c7m n GLY 22 N 2.26 -0.50 3.16 0.27 0.00 -1.26 -5.03 105.19 104.09 1c7m n GLY 22 Ca 0.55 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.17 2.00 0.00 1.61 -0.87 -1.26 -4.99 114.94 109.25 1c7m s ASN 23 Ca 0.06 -0.35 0.00 0.00 -1.57 0.00 0.00 52.86 51.00 1c7m s ASN 23 Cb -0.03 -0.20 0.00 0.00 -0.02 0.00 0.00 41.25 41.00 1c7m s ASN 23 CO 0.08 0.18 0.00 0.47 -2.57 0.00 0.00 177.10 175.26 1c7m n ASP 24 N 2.47 0.00 0.00 -1.22 9.92 -1.26 -2.97 116.55 123.49 1c7m n ASP 24 Ca -0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.11 1c7m n ASP 24 Cb 0.54 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.02 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 4.91 1.40 0.09 0.44 0.00 -1.26 -4.02 105.19 106.74 1c7m n GLY 25 Ca 0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 1.46 -4.02 1.61 0.31 -1.22 -5.01 118.33 111.46 1c7m n VAL 26 Ca 0.00 0.12 -0.29 0.00 -0.01 0.00 0.00 64.34 64.15 1c7m n VAL 26 Cb 0.00 -2.29 -0.05 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 -4.57 1.96 0.51 2.92 0.00 -0.32 -5.03 107.32 102.79 1c7m s GLY 27 Ca -0.22 -1.02 -0.20 0.00 0.00 0.00 0.00 44.72 43.28 1c7m s GLY 27 CO 0.35 -1.01 1.10 2.56 0.00 0.00 0.00 173.10 176.09 1c7m s PRO 28 N -2.65 3.58 0.16 2.90 0.04 -1.26 -4.42 135.00 133.35 1c7m s PRO 28 Ca 0.31 1.53 -0.33 0.00 0.04 0.00 0.00 61.00 62.55 1c7m s PRO 28 Cb -0.12 -2.09 -0.13 0.00 0.04 0.00 0.00 34.50 32.21 1c7m s PRO 28 CO 0.24 -0.65 1.68 -2.39 0.04 0.00 0.00 177.00 175.92 1c7m n HIS 29 N -1.07 2.50 -0.52 0.56 1.44 -1.25 -4.73 115.22 112.15 1c7m n HIS 29 Ca 0.10 0.12 0.05 0.00 -2.01 0.00 0.00 57.72 55.98 1c7m n HIS 29 Cb 0.51 -2.62 0.32 0.00 0.12 0.00 0.00 29.99 28.32 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 4.03 4.82 -4.56 2.39 4.77 -1.12 -4.97 117.00 122.36 1c7m n LEU 30 Ca 0.17 -2.45 -0.40 0.00 -0.03 0.00 0.00 56.01 53.30 1c7m n LEU 30 Cb 0.32 -0.65 -0.04 0.00 -2.33 0.00 0.00 43.42 40.72 1c7m n LEU 30 CO 0.64 0.56 1.96 -0.46 -1.33 0.00 0.00 177.39 178.76 1c7m n ASN 31 N 0.45 2.56 -2.18 -1.43 0.23 -1.26 -2.29 115.26 111.34 1c7m n ASN 31 Ca 0.23 -0.15 -0.14 0.00 -0.53 0.00 0.00 54.58 53.99 1c7m n ASN 31 Cb 1.02 -1.52 0.04 0.00 -2.08 0.00 0.00 39.78 37.24 1c7m n ASN 31 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1c7m n GLY 32 N 5.99 0.00 0.24 4.83 0.00 -1.26 -4.98 105.19 110.01 1c7m n GLY 32 Ca 0.36 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.30 0.80 -2.80 1.61 3.04 -1.67 -3.38 116.25 112.54 1c7m h VAL 33 Ca -0.34 -0.71 -0.56 0.00 -1.01 0.00 0.00 66.70 64.09 1c7m h VAL 33 Cb 1.22 1.42 -0.04 0.00 -2.01 0.00 0.00 31.29 31.89 1c7m h VAL 33 CO 0.34 0.18 1.20 -0.69 -1.01 0.00 0.00 177.57 177.59 1c7m s VAL 34 N -4.25 3.63 0.00 1.51 1.01 -1.26 -2.14 120.40 118.89 1c7m s VAL 34 Ca -0.03 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1c7m s VAL 34 Cb 0.14 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1c7m s VAL 34 CO 0.63 -0.65 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1c7m n GLY 35 N 5.33 0.67 3.30 4.51 0.00 0.47 -4.96 105.19 114.51 1c7m n GLY 35 Ca 0.20 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.03 1.48 0.37 1.61 3.52 -0.91 -4.82 118.95 118.17 1c7m s ARG 36 Ca 0.00 -1.07 -0.28 0.00 -0.13 0.00 0.00 55.73 54.25 1c7m s ARG 36 Cb 0.00 -1.68 -0.11 0.00 -1.56 0.00 0.00 34.95 31.60 1c7m s ARG 36 CO 0.00 0.42 1.37 2.41 -0.81 0.00 0.00 175.30 178.69 1c7m n THR 37 N 1.61 2.09 -2.30 4.11 -1.04 -1.25 -0.58 114.28 116.91 1c7m n THR 37 Ca -0.17 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 60.91 1c7m n THR 37 Cb 0.53 -1.74 -0.02 0.00 -1.82 0.00 0.00 70.33 67.27 1c7m n THR 37 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1c7m s VAL 38 N -1.12 4.07 -1.06 12.58 1.01 -1.25 -1.31 120.40 133.32 1c7m s VAL 38 Ca 0.55 1.30 -0.02 0.00 0.00 0.00 0.00 61.98 63.82 1c7m s VAL 38 Cb -0.52 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1c7m s VAL 38 CO 0.62 -0.10 0.24 0.00 0.00 0.00 0.00 175.10 175.86 1c7m n ALA 39 N 6.62 -0.53 0.10 5.51 0.00 -1.26 -3.52 120.51 127.42 1c7m n ALA 39 Ca 0.15 0.16 -0.17 0.00 0.00 0.00 0.00 53.44 53.57 1c7m n ALA 39 Cb 0.44 -2.26 -0.14 0.00 0.00 0.00 0.00 19.45 17.49 1c7m n ALA 39 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1c7m h GLY 40 N -0.55 0.34 -7.29 0.00 0.00 -1.56 -3.42 103.07 90.60 1c7m h GLY 40 Ca -0.33 -0.88 -0.56 0.00 0.00 0.00 0.00 47.33 45.56 1c7m h GLY 40 CO 0.37 0.77 1.18 0.14 0.00 0.00 0.00 176.54 179.01 1c7m s VAL 41 N -2.64 3.79 0.05 4.60 1.01 -1.26 -4.98 120.40 120.96 1c7m s VAL 41 Ca -0.06 0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.67 1c7m s VAL 41 Cb 0.07 -4.96 -0.06 0.00 0.00 0.00 0.00 36.38 31.43 1c7m s VAL 41 CO 0.88 -1.88 1.23 -0.62 0.00 0.00 0.00 175.10 174.71 1c7m s ASP 42 N 4.10 7.04 0.00 3.32 2.15 -1.26 -3.65 116.67 128.36 1c7m s ASP 42 Ca 0.38 2.03 0.00 0.00 0.43 0.00 0.00 52.55 55.39 1c7m s ASP 42 Cb -0.06 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 1c7m s ASP 42 CO 0.08 -0.52 0.00 0.61 -0.17 0.00 0.00 175.17 175.17 1c7m n GLY 43 N 3.29 3.47 3.77 2.66 0.00 -1.26 -5.12 105.19 112.00 1c7m n GLY 43 Ca 0.10 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 1c7m n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1c7m s PHE 44 N 0.00 3.19 -0.61 1.61 5.36 -1.24 -5.03 117.98 121.26 1c7m s PHE 44 Ca 0.00 1.55 -0.24 0.00 -0.96 0.00 0.00 56.93 57.29 1c7m s PHE 44 Cb 0.00 -3.45 0.05 0.00 -0.34 0.00 0.00 43.02 39.29 1c7m s PHE 44 CO 0.00 -1.28 0.98 1.21 -1.46 0.00 0.00 175.22 174.67 1c7m s ASN 45 N -0.89 6.25 0.75 6.13 2.47 -1.26 -5.06 114.94 123.34 1c7m s ASN 45 Ca 0.52 -0.64 -0.09 0.00 0.42 0.00 0.00 52.86 53.07 1c7m s ASN 45 Cb -0.34 -2.44 0.07 0.00 -1.45 0.00 0.00 41.25 37.10 1c7m s ASN 45 CO 0.43 -1.37 1.08 -0.31 -3.72 0.00 0.00 177.10 173.22 1c7m s TYR 46 N 4.14 2.84 0.56 0.43 2.02 -1.26 -5.08 117.35 120.99 1c7m s TYR 46 Ca 0.27 0.52 -0.16 0.00 -0.37 0.00 0.00 57.07 57.33 1c7m s TYR 46 Cb -0.14 -3.33 -0.05 0.00 -0.40 0.00 0.00 41.96 38.03 1c7m s TYR 46 CO 0.15 -1.59 1.03 -1.54 -1.57 0.00 0.00 175.55 172.03 1c7m s SER 47 N -4.56 6.11 0.17 2.29 1.04 -1.26 -4.92 113.70 112.57 1c7m s SER 47 Ca 0.61 1.75 -0.15 0.00 0.48 0.00 0.00 55.95 58.64 1c7m s SER 47 Cb -0.10 -2.53 0.12 0.00 0.10 0.00 0.00 66.02 63.61 1c7m s SER 47 CO 0.46 -0.94 1.72 0.44 0.98 0.00 0.00 173.24 175.90 1c7m h ASP 48 N 0.70 -0.04 0.97 7.02 3.32 -1.99 -1.35 116.42 125.06 1c7m h ASP 48 Ca -0.47 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 1c7m h ASP 48 Cb 1.21 0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.87 1c7m h ASP 48 CO 0.59 0.01 -0.03 1.55 -1.72 0.00 0.00 179.24 179.64 1c7m h PRO 49 N 0.18 0.00 -0.06 3.56 0.13 -1.88 -1.17 132.00 132.77 1c7m h PRO 49 Ca 0.20 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.32 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 -0.28 0.03 -0.02 1.98 -0.23 0.00 0.00 178.00 179.48 1c7m h MET 50 N 0.00 0.12 -0.57 0.86 4.05 -1.73 -2.15 114.93 115.51 1c7m h MET 50 Ca -0.00 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1c7m h MET 50 Cb 0.53 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.29 1c7m h MET 50 CO 0.00 0.45 0.35 0.87 0.23 0.00 0.00 176.91 178.82 1c7m h LYS 51 N -0.23 0.78 0.00 0.39 1.57 -1.23 -3.07 116.57 114.78 1c7m h LYS 51 Ca 0.02 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1c7m h LYS 51 Cb 0.41 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1c7m h LYS 51 CO 0.01 0.55 -0.06 0.00 -0.57 0.00 0.00 179.45 179.38 1c7m h ALA 52 N 1.18 1.07 0.10 3.86 0.00 -1.32 -3.31 119.26 120.84 1c7m h ALA 52 Ca 0.21 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1c7m h ALA 52 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1c7m h ALA 52 CO -0.04 0.08 -0.05 1.25 0.00 0.00 0.00 179.25 180.49 1c7m h HIS 53 N 0.00 -0.12 -0.60 0.00 -0.00 -1.29 -3.50 115.15 109.64 1c7m h HIS 53 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1c7m h HIS 53 Cb 0.40 0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.85 1c7m h HIS 53 CO 0.00 -0.07 0.00 0.41 -0.00 0.00 0.00 177.93 178.27 1c7m n GLY 54 N -0.15 0.23 6.96 5.26 0.00 -1.19 -4.96 105.19 111.34 1c7m n GLY 54 Ca -0.02 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 1.76 3.42 -0.02 0.00 -1.26 -3.77 105.19 105.32 1c7m n GLY 55 Ca 0.00 -0.25 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.49 -1.00 1.61 1.01 -1.26 -3.83 116.67 108.71 1c7m s ASP 56 Ca 0.00 0.53 -0.22 0.00 0.71 0.00 0.00 52.55 53.57 1c7m s ASP 56 Cb 0.00 0.50 0.07 0.00 1.01 0.00 0.00 42.92 44.51 1c7m s ASP 56 CO 0.00 -0.53 1.36 0.26 0.21 0.00 0.00 175.17 176.47 1c7m s TRP 57 N -1.14 2.70 0.64 4.23 0.23 0.25 -4.76 118.94 121.10 1c7m s TRP 57 Ca -0.11 -1.01 -0.14 0.00 -2.03 0.00 0.00 56.10 52.81 1c7m s TRP 57 Cb -0.02 -4.58 -0.02 0.00 0.03 0.00 0.00 33.47 28.88 1c7m s TRP 57 CO 0.07 -1.81 1.06 0.95 0.96 0.00 0.00 176.95 178.18 1c7m s THR 58 N 4.30 3.89 -1.23 2.01 -4.23 -1.26 -0.39 115.64 118.73 1c7m s THR 58 Ca 0.42 0.77 0.00 0.00 -1.18 0.00 0.00 61.69 61.71 1c7m s THR 58 Cb -0.01 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.45 1c7m s THR 58 CO -0.10 -0.65 0.20 -0.81 -0.54 0.00 0.00 174.62 172.73 1c7m n PRO 59 N -2.50 0.33 0.00 3.99 -0.04 -1.26 -1.40 135.00 134.12 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 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 0.15 0.00 -0.13 0.54 1.02 -1.26 -4.38 120.64 116.58 1c7m n GLU 60 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 1c7m n GLU 60 Cb 0.06 -0.77 0.03 0.00 -0.02 0.00 0.00 31.44 30.74 1c7m n GLU 60 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1c7m h ALA 61 N 0.00 0.52 -0.62 0.62 0.00 -1.92 -2.42 119.26 115.44 1c7m h ALA 61 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1c7m h ALA 61 Cb 0.54 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1c7m h ALA 61 CO 0.00 -0.18 0.41 -0.07 0.00 0.00 0.00 179.25 179.41 1c7m h LEU 62 N 0.39 0.70 -1.29 0.00 3.38 -1.54 0.74 115.31 117.68 1c7m h LEU 62 Ca 0.18 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1c7m h LEU 62 Cb 0.12 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1c7m h LEU 62 CO -0.15 0.50 -0.21 1.56 0.09 0.00 0.00 178.44 180.23 1c7m h GLN 63 N 0.82 0.00 0.01 1.13 4.20 -1.74 0.21 115.11 119.74 1c7m h GLN 63 Ca 0.23 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.94 1c7m h GLN 63 Cb -0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1c7m h GLN 63 CO -0.05 0.21 -0.00 0.93 -0.67 0.00 0.00 178.83 179.25 1c7m h GLU 64 N 0.00 -0.01 -0.66 1.46 5.08 -1.33 -3.38 114.58 115.74 1c7m h GLU 64 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1c7m h GLU 64 Cb 0.66 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1c7m h GLU 64 CO 0.03 0.72 0.39 0.35 -1.00 0.00 0.00 179.01 179.49 1c7m h PHE 65 N -0.98 0.88 0.00 4.33 3.57 -0.86 -1.34 116.94 122.54 1c7m h PHE 65 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1c7m h PHE 65 Cb 0.73 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1c7m h PHE 65 CO 0.20 0.61 0.00 1.28 -2.23 0.00 0.00 178.31 178.17 1c7m n LEU 66 N -4.56 0.00 -0.07 0.59 4.77 0.73 -1.54 117.00 116.91 1c7m n LEU 66 Ca 0.05 0.28 -0.09 0.00 -0.03 0.00 0.00 56.01 56.22 1c7m n LEU 66 Cb 0.07 -0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 40.79 1c7m n LEU 66 CO 0.37 -0.16 -0.98 0.41 -1.33 0.00 0.00 177.39 175.69 1c7m n THR 67 N -1.28 0.90 -3.59 -5.08 -1.04 -1.09 -0.11 114.28 102.98 1c7m n THR 67 Ca 0.06 -0.43 -0.28 0.00 -2.04 0.00 0.00 64.05 61.36 1c7m n THR 67 Cb 0.10 -0.89 -0.11 0.00 -1.82 0.00 0.00 70.33 67.60 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 -5.13 2.85 0.23 8.00 0.02 -0.53 -4.22 114.94 116.17 1c7m s ASN 68 Ca -0.15 -3.17 -0.06 0.00 -1.02 0.00 0.00 52.86 48.45 1c7m s ASN 68 Cb 0.05 -0.87 0.35 0.00 0.02 0.00 0.00 41.25 40.79 1c7m s ASN 68 CO 0.44 -0.17 1.79 -0.65 0.02 0.00 0.00 177.10 178.53 1c7m h PRO 69 N 5.82 0.63 -0.02 -0.60 0.11 -1.51 -1.93 132.00 134.51 1c7m h PRO 69 Ca 0.18 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1c7m h PRO 69 Cb 0.87 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1c7m h PRO 69 CO 0.48 0.42 0.00 0.36 -0.21 0.00 0.00 178.00 179.05 1c7m n LYS 70 N -4.83 1.05 0.01 1.05 2.85 -1.26 -1.66 118.16 115.37 1c7m n LYS 70 Ca 0.12 -0.08 -0.21 0.00 -1.05 0.00 0.00 58.31 57.08 1c7m n LYS 70 Cb 0.27 -1.21 -0.14 0.00 -0.65 0.00 0.00 35.03 33.31 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 3.43 0.15 0.05 0.58 0.00 -1.73 -3.31 119.26 118.42 1c7m h ALA 71 Ca 0.00 -1.05 -0.00 0.00 0.00 0.00 0.00 54.91 53.86 1c7m h ALA 71 Cb 0.03 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1c7m h ALA 71 CO 0.00 0.77 -0.02 0.28 0.00 0.00 0.00 179.25 180.28 1c7m h VAL 72 N -0.33 0.95 -3.69 0.00 2.07 -1.58 -3.39 116.25 110.28 1c7m h VAL 72 Ca -0.29 -1.56 -0.77 0.00 0.82 0.00 0.00 66.70 64.91 1c7m h VAL 72 Cb 1.73 1.74 -0.29 0.00 -1.52 0.00 0.00 31.29 32.96 1c7m h VAL 72 CO 0.06 0.30 0.05 -0.69 0.02 0.00 0.00 177.57 177.31 1c7m s VAL 73 N -2.39 5.20 -0.62 2.57 1.01 -0.67 -5.05 120.40 120.46 1c7m s VAL 73 Ca -0.11 -2.84 -0.27 0.00 0.00 0.00 0.00 61.98 58.76 1c7m s VAL 73 Cb -0.01 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1c7m s VAL 73 CO 0.41 -1.03 1.71 -0.75 0.00 0.00 0.00 175.10 175.44 1c7m s LYS 74 N -0.24 2.82 0.00 2.72 2.20 -1.25 -2.10 119.74 123.89 1c7m s LYS 74 Ca 0.21 0.47 0.00 0.00 -0.36 0.00 0.00 55.97 56.28 1c7m s LYS 74 Cb -0.12 -4.32 0.00 0.00 -1.51 0.00 0.00 37.83 31.88 1c7m s LYS 74 CO -0.08 -2.52 0.00 0.41 -0.36 0.00 0.00 175.35 172.80 1c7m n GLY 75 N 5.59 0.68 3.77 5.54 0.00 -1.26 -4.83 105.19 114.68 1c7m n GLY 75 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.32 4.61 -1.52 2.61 -1.32 -0.89 -4.56 115.64 113.26 1c7m s THR 76 Ca 0.00 1.57 0.00 0.00 -1.21 0.00 0.00 61.69 62.05 1c7m s THR 76 Cb 0.00 -4.08 0.00 0.00 -1.51 0.00 0.00 72.50 66.91 1c7m s THR 76 CO 0.00 0.45 0.46 0.29 -2.21 0.00 0.00 174.62 173.61 1c7m n LYS 77 N 2.22 0.60 -3.05 7.08 5.02 -1.26 -4.79 118.16 123.98 1c7m n LYS 77 Ca -0.05 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.81 1c7m n LYS 77 Cb 0.50 -1.15 -0.06 0.00 -0.02 0.00 0.00 35.03 34.30 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 -1.52 3.33 -1.43 1.97 1.75 -1.26 -4.99 119.30 117.15 1c7m s MET 78 Ca 0.00 -0.27 -0.14 0.00 -1.25 0.00 0.00 55.69 54.03 1c7m s MET 78 Cb 0.00 -3.95 0.03 0.00 2.84 0.00 0.00 34.83 33.75 1c7m s MET 78 CO 0.00 -1.05 2.24 0.00 -0.65 0.00 0.00 175.02 175.56 1c7m n ALA 79 N 6.43 5.52 -3.58 4.11 0.00 -1.26 -4.90 120.51 126.82 1c7m n ALA 79 Ca -0.00 -3.84 -0.23 0.00 0.00 0.00 0.00 53.44 49.37 1c7m n ALA 79 Cb 0.48 -3.54 -0.17 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 3.25 1.13 -0.13 0.00 5.36 -1.26 -5.07 117.98 121.26 1c7m s PHE 80 Ca 0.48 -0.40 0.18 0.00 -0.96 0.00 0.00 56.93 56.24 1c7m s PHE 80 Cb 0.14 -0.90 0.32 0.00 -0.34 0.00 0.00 43.02 42.24 1c7m s PHE 80 CO -0.08 -0.26 1.57 0.00 -1.46 0.00 0.00 175.22 174.98 1c7m h ALA 81 N 7.22 0.81 0.00 11.12 0.00 -1.94 -3.44 119.26 133.03 1c7m h ALA 81 Ca -0.33 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1c7m h ALA 81 Cb 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1c7m h ALA 81 CO 0.46 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.56 1c7m n GLY 82 N 0.93 3.17 3.77 0.00 0.00 -1.26 -4.78 105.19 107.02 1c7m n GLY 82 Ca 0.02 -1.71 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 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 4.57 -0.13 0.99 1.43 0.84 -4.92 118.68 121.46 1c7m s LEU 83 Ca 0.00 1.60 -0.17 0.00 -1.03 0.00 0.00 54.13 54.53 1c7m s LEU 83 Cb 0.00 -3.27 -0.15 0.00 0.03 0.00 0.00 46.19 42.81 1c7m s LEU 83 CO 0.00 0.18 0.39 1.55 0.23 0.00 0.00 176.35 178.70 1c7m h PRO 84 N 4.55 0.00 -6.81 1.29 0.13 -1.95 -3.40 132.00 125.81 1c7m h PRO 84 Ca -0.47 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.18 1c7m h PRO 84 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1c7m h PRO 84 CO 0.67 0.58 0.17 0.15 -0.23 0.00 0.00 178.00 179.33 1c7m s LYS 85 N -1.99 4.10 0.27 0.86 1.02 -1.26 -5.00 119.74 117.74 1c7m s LYS 85 Ca -0.13 0.82 -0.00 0.00 0.02 0.00 0.00 55.97 56.68 1c7m s LYS 85 Cb -0.01 -2.41 0.49 0.00 -0.52 0.00 0.00 37.83 35.38 1c7m s LYS 85 CO 0.40 0.13 1.85 0.97 -0.92 0.00 0.00 175.35 177.78 1c7m h ILE 86 N 2.03 0.97 -0.95 2.17 -0.00 -1.98 -2.69 117.51 117.06 1c7m h ILE 86 Ca -0.48 -0.35 0.12 0.00 -0.00 0.00 0.00 64.86 64.15 1c7m h ILE 86 Cb 1.18 -0.15 -0.08 0.00 -0.00 0.00 0.00 36.82 37.77 1c7m h ILE 86 CO 0.64 0.19 0.61 -0.33 -0.00 0.00 0.00 178.15 179.26 1c7m h GLU 87 N 1.03 0.87 0.70 2.19 3.07 -1.94 -1.41 114.58 119.09 1c7m h GLU 87 Ca 0.47 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 59.24 1c7m h GLU 87 Cb 0.38 -0.20 0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1c7m h GLU 87 CO -0.24 0.58 -0.34 -0.44 -1.40 0.00 0.00 179.01 177.17 1c7m h ASP 88 N 0.90 -0.80 -0.48 1.42 3.32 -1.86 -0.56 116.42 118.36 1c7m h ASP 88 Ca 0.47 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.46 1c7m h ASP 88 Cb 0.53 0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 1c7m h ASP 88 CO -0.23 -0.54 0.03 0.08 -1.72 0.00 0.00 179.24 176.85 1c7m h ARG 89 N -0.99 0.82 -0.42 3.56 -0.00 -1.63 -2.42 114.38 113.31 1c7m h ARG 89 Ca -0.10 -0.25 0.04 0.00 -0.00 0.00 0.00 59.98 59.68 1c7m h ARG 89 Cb 0.74 -0.08 -0.04 0.00 -0.00 0.00 0.00 29.97 30.58 1c7m h ARG 89 CO 0.16 0.86 0.18 0.00 -0.00 0.00 0.00 179.97 181.16 1c7m h ALA 90 N 0.93 0.51 -0.34 0.08 0.00 -1.30 0.49 119.26 119.63 1c7m h ALA 90 Ca 0.14 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1c7m h ALA 90 Cb 0.47 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1c7m h ALA 90 CO 0.02 -0.20 0.21 -0.91 0.00 0.00 0.00 179.25 178.37 1c7m h ASN 91 N 0.37 0.40 -0.61 0.00 2.35 -0.60 -1.83 115.58 115.65 1c7m h ASN 91 Ca 0.19 -0.04 0.07 0.00 -0.55 0.00 0.00 56.30 55.97 1c7m h ASN 91 Cb 0.13 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.35 1c7m h ASN 91 CO -0.16 0.32 0.29 0.25 -1.65 0.00 0.00 177.43 176.48 1c7m h LEU 92 N 0.44 0.38 -1.34 1.61 5.85 -1.40 -2.27 115.31 118.58 1c7m h LEU 92 Ca 0.12 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1c7m h LEU 92 Cb -0.01 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1c7m h LEU 92 CO -0.02 0.24 0.29 0.40 -0.34 0.00 0.00 178.44 179.01 1c7m h ILE 93 N 0.53 1.17 -0.06 4.05 2.04 -0.76 0.12 117.51 124.59 1c7m h ILE 93 Ca 0.29 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1c7m h ILE 93 Cb 0.26 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1c7m h ILE 93 CO -0.23 0.18 0.03 0.00 0.00 0.00 0.00 178.15 178.14 1c7m h ALA 94 N 1.58 0.07 -0.31 1.87 0.00 -1.23 -2.28 119.26 118.96 1c7m h ALA 94 Ca 0.19 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1c7m h ALA 94 Cb 0.02 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1c7m h ALA 94 CO -0.03 -0.38 -0.22 -0.92 0.00 0.00 0.00 179.25 177.70 1c7m h TYR 95 N 0.00 -0.57 0.00 0.00 3.20 -1.21 -2.31 116.97 116.08 1c7m h TYR 95 Ca 0.02 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 1c7m h TYR 95 Cb 0.08 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1c7m h TYR 95 CO -0.04 -0.30 -0.20 -0.07 -1.64 0.00 0.00 178.16 175.90 1c7m h LEU 96 N -0.19 0.00 0.04 2.82 3.38 -0.81 0.20 115.31 120.75 1c7m h LEU 96 Ca 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1c7m h LEU 96 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1c7m h LEU 96 CO -0.42 0.20 -0.02 -0.33 0.09 0.00 0.00 178.44 177.96 1c7m h GLU 97 N 0.00 -0.05 0.22 1.13 5.08 -1.38 -3.37 114.58 116.21 1c7m h GLU 97 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1c7m h GLU 97 Cb 0.42 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1c7m h GLU 97 CO 0.03 0.31 -0.11 0.78 -1.00 0.00 0.00 179.01 179.02 1c7m h GLY 98 N -0.43 -0.31 -6.94 -3.84 0.00 -1.24 -3.44 103.07 86.88 1c7m h GLY 98 Ca -0.01 0.11 -0.63 0.00 0.00 0.00 0.00 47.33 46.81 1c7m h GLY 98 CO 0.01 -0.11 0.25 1.62 0.00 0.00 0.00 176.54 178.31 1c7m s GLN 99 N -3.59 3.54 0.00 4.80 0.74 0.68 -5.10 119.66 120.73 1c7m s GLN 99 Ca -0.12 -0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.26 1c7m s GLN 99 Cb 0.01 -3.87 0.00 0.00 1.10 0.00 0.00 33.01 30.24 1c7m s GLN 99 CO 0.45 -0.93 0.43 1.04 -0.55 0.00 0.00 175.29 175.74