#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 -1.96 -3.62 3.17 0.00 -1.24 -4.86 120.51 112.00 1c7m n ALA 2 Ca 0.00 -0.15 -0.39 0.00 0.00 0.00 0.00 53.44 52.90 1c7m n ALA 2 Cb 0.00 -2.10 -0.09 0.00 0.00 0.00 0.00 19.45 17.26 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 -4.28 5.59 0.38 0.00 1.01 -1.26 -4.92 116.67 113.19 1c7m s ASP 3 Ca 0.05 -2.13 0.16 0.00 0.71 0.00 0.00 52.55 51.35 1c7m s ASP 3 Cb -0.03 -1.95 0.78 0.00 1.01 0.00 0.00 42.92 42.73 1c7m s ASP 3 CO 0.82 -0.60 1.82 1.55 0.21 0.00 0.00 175.17 178.97 1c7m h PRO 4 N 8.11 0.00 -0.45 8.23 0.13 -1.88 -1.64 132.00 144.49 1c7m h PRO 4 Ca -0.14 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.96 1c7m h PRO 4 Cb 1.05 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 1c7m h PRO 4 CO 0.79 0.36 0.18 0.00 -0.23 0.00 0.00 178.00 179.10 1c7m h ALA 5 N 1.64 0.58 0.00 -0.56 0.00 -1.95 -2.63 119.26 116.34 1c7m h ALA 5 Ca -0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1c7m h ALA 5 Cb 0.70 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1c7m h ALA 5 CO 0.05 0.19 -0.15 0.00 0.00 0.00 0.00 179.25 179.34 1c7m h ALA 6 N 1.03 1.64 0.00 0.00 0.00 -1.88 -2.95 119.26 117.09 1c7m h ALA 6 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1c7m h ALA 6 Cb 0.19 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1c7m h ALA 6 CO -0.01 0.18 -0.06 0.78 0.00 0.00 0.00 179.25 180.14 1c7m h GLY 7 N 0.52 0.00 1.13 0.00 0.00 -1.04 -2.88 103.07 100.80 1c7m h GLY 7 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1c7m h GLY 7 CO 0.02 0.00 -0.36 -2.09 0.00 0.00 0.00 176.54 174.11 1c7m h GLU 8 N 0.00 0.95 -0.28 4.80 4.81 -1.29 0.26 114.58 123.82 1c7m h GLU 8 Ca -0.00 -0.49 -0.09 0.00 -0.13 0.00 0.00 59.36 58.65 1c7m h GLU 8 Cb 0.26 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1c7m h GLU 8 CO 0.01 1.15 -0.22 1.57 -0.73 0.00 0.00 179.01 180.78 1c7m h LYS 9 N 0.78 0.53 -0.43 1.92 2.10 -1.66 -2.11 116.57 117.69 1c7m h LYS 9 Ca 0.07 -0.19 -0.02 0.00 -2.00 0.00 0.00 60.65 58.51 1c7m h LYS 9 Cb 0.96 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 32.23 1c7m h LYS 9 CO 0.09 0.72 0.21 0.28 -2.00 0.00 0.00 179.45 178.75 1c7m h VAL 10 N 0.47 1.18 -0.13 0.07 2.07 -1.54 -2.92 116.25 115.47 1c7m h VAL 10 Ca 0.07 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.11 1c7m h VAL 10 Cb 0.65 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1c7m h VAL 10 CO 0.05 0.20 0.22 0.15 0.02 0.00 0.00 177.57 178.20 1c7m h PHE 11 N 0.56 0.00 -0.60 1.57 3.57 -0.86 -2.81 116.94 118.38 1c7m h PHE 11 Ca 0.15 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.79 1c7m h PHE 11 Cb 0.12 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1c7m h PHE 11 CO -0.01 0.00 0.41 0.78 -2.23 0.00 0.00 178.31 177.27 1c7m h GLY 12 N 0.00 0.26 1.46 2.40 0.00 -1.17 0.10 103.07 106.12 1c7m h GLY 12 Ca 0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 1c7m h GLY 12 CO -0.00 0.03 -0.23 0.50 0.00 0.00 0.00 176.54 176.84 1c7m h LYS 13 N 0.16 0.63 -0.07 4.80 1.57 -1.65 -3.33 116.57 118.67 1c7m h LYS 13 Ca 0.29 -0.24 -0.21 0.00 -1.87 0.00 0.00 60.65 58.61 1c7m h LYS 13 Cb 0.91 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1c7m h LYS 13 CO -0.04 0.80 -0.83 0.00 -0.57 0.00 0.00 179.45 178.81 1c7m h LYS 15 N 0.36 0.00 -0.42 0.00 2.10 -0.95 -0.55 116.57 117.11 1c7m h LYS 15 Ca -0.06 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.58 1c7m h LYS 15 Cb 1.44 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.75 1c7m h LYS 15 CO 0.15 0.09 0.21 0.00 -2.00 0.00 0.00 179.45 177.90 1c7m h ALA 16 N 1.91 1.57 0.06 0.07 0.00 -1.81 -3.33 119.26 117.73 1c7m h ALA 16 Ca -0.00 -0.09 -0.31 0.00 0.00 0.00 0.00 54.91 54.51 1c7m h ALA 16 Cb 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1c7m h ALA 16 CO 0.01 0.35 -1.72 0.00 0.00 0.00 0.00 179.25 177.89 1c7m s HIS 18 N -2.47 2.95 -0.25 0.00 3.76 -0.29 -0.65 115.29 118.35 1c7m s HIS 18 Ca -0.26 -0.28 0.05 0.00 -0.15 0.00 0.00 55.06 54.41 1c7m s HIS 18 Cb 0.07 -1.86 -0.18 0.00 1.11 0.00 0.00 32.58 31.72 1c7m s HIS 18 CO 0.67 0.03 -0.18 1.63 -0.85 0.00 0.00 174.74 176.05 1c7m n LYS 19 N 3.15 0.66 -0.76 1.40 5.02 -0.87 -4.21 118.16 122.54 1c7m n LYS 19 Ca -0.18 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1c7m n LYS 19 Cb 0.53 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1c7m n LYS 19 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1c7m n LEU 20 N -3.16 0.83 -2.83 -0.35 -0.00 -1.26 -4.91 117.00 105.33 1c7m n LEU 20 Ca -0.43 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.24 1c7m n LEU 20 Cb 1.01 -2.02 0.02 0.00 -0.00 0.00 0.00 43.42 42.43 1c7m n LEU 20 CO 0.28 -0.76 0.91 0.47 -0.00 0.00 0.00 177.39 178.29 1c7m n ASP 21 N -0.27 6.20 0.00 1.45 8.00 -1.26 -4.43 116.55 126.24 1c7m n ASP 21 Ca 0.00 -3.77 0.00 0.00 0.71 0.00 0.00 54.79 51.73 1c7m n ASP 21 Cb 0.35 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 1c7m n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c7m n GLY 22 N -0.45 1.29 3.73 0.44 0.00 -1.26 -4.95 105.19 103.98 1c7m n GLY 22 Ca 0.46 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 46.14 1c7m n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c7m s ASN 23 N 0.00 3.86 0.00 1.61 2.20 -1.26 -4.82 114.94 116.53 1c7m s ASN 23 Ca 0.00 2.01 0.00 0.00 -0.94 0.00 0.00 52.86 53.93 1c7m s ASN 23 Cb 0.00 -2.54 0.00 0.00 -2.00 0.00 0.00 41.25 36.71 1c7m s ASN 23 CO 0.00 -2.48 0.00 0.47 -2.94 0.00 0.00 177.10 172.15 1c7m n ASP 24 N -3.74 0.00 0.00 3.54 8.00 -1.26 -4.00 116.55 119.09 1c7m n ASP 24 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1c7m n ASP 24 Cb 0.52 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 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 2.20 0.21 0.09 0.44 0.00 -1.26 -2.05 105.19 104.82 1c7m n GLY 25 Ca 0.00 -1.48 -0.18 0.00 0.00 0.00 0.00 46.02 44.36 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 1.35 -2.61 1.61 2.07 -1.12 -3.48 116.25 114.06 1c7m h VAL 26 Ca 0.00 -2.29 -0.46 0.00 0.82 0.00 0.00 66.70 64.77 1c7m h VAL 26 Cb 0.00 2.84 0.08 0.00 -1.52 0.00 0.00 31.29 32.69 1c7m h VAL 26 CO 0.00 0.50 0.13 -0.83 0.02 0.00 0.00 177.57 177.39 1c7m s GLY 27 N -4.56 1.76 1.03 2.17 0.00 -0.63 -5.02 107.32 102.07 1c7m s GLY 27 Ca -0.23 -1.50 -0.13 0.00 0.00 0.00 0.00 44.72 42.86 1c7m s GLY 27 CO 0.66 -0.98 1.09 2.56 0.00 0.00 0.00 173.10 176.43 1c7m s PRO 28 N -5.17 0.21 0.06 2.90 0.04 -1.26 -4.66 135.00 127.11 1c7m s PRO 28 Ca 0.65 0.49 -0.31 0.00 0.04 0.00 0.00 61.00 61.87 1c7m s PRO 28 Cb -0.07 -1.71 -0.07 0.00 0.04 0.00 0.00 34.50 32.69 1c7m s PRO 28 CO 0.44 -2.87 1.45 -3.38 0.04 0.00 0.00 177.00 172.68 1c7m s HIS 29 N -2.94 2.90 -0.47 0.56 -3.43 -1.26 -4.37 115.29 106.28 1c7m s HIS 29 Ca 0.66 0.75 0.15 0.00 -0.80 0.00 0.00 55.06 55.82 1c7m s HIS 29 Cb -0.19 -3.74 0.80 0.00 -1.43 0.00 0.00 32.58 28.02 1c7m s HIS 29 CO 0.58 -2.74 1.72 1.28 -2.00 0.00 0.00 174.74 173.57 1c7m n LEU 30 N 4.92 5.49 -4.58 5.38 4.77 -1.26 -4.84 117.00 126.87 1c7m n LEU 30 Ca 0.13 -2.79 -0.41 0.00 -0.03 0.00 0.00 56.01 52.91 1c7m n LEU 30 Cb 0.42 -0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 1c7m n LEU 30 CO 0.59 0.67 1.68 0.54 -1.33 0.00 0.00 177.39 179.54 1c7m s ASN 31 N -0.80 5.49 -0.99 -1.43 2.20 -1.26 -2.44 114.94 115.71 1c7m s ASN 31 Ca 0.53 1.22 -0.06 0.00 -0.94 0.00 0.00 52.86 53.61 1c7m s ASN 31 Cb 0.39 -2.52 0.01 0.00 -2.00 0.00 0.00 41.25 37.13 1c7m s ASN 31 CO 0.18 -2.04 0.86 0.61 -2.94 0.00 0.00 177.10 173.77 1c7m n GLY 32 N 5.62 -0.16 0.21 0.45 0.00 -0.84 -4.81 105.19 105.66 1c7m n GLY 32 Ca 0.26 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.94 0.75 -2.47 1.61 3.04 -1.68 -3.36 116.25 112.21 1c7m h VAL 33 Ca -0.43 -1.16 -0.53 0.00 -1.01 0.00 0.00 66.70 63.57 1c7m h VAL 33 Cb 1.27 1.73 -0.05 0.00 -2.01 0.00 0.00 31.29 32.23 1c7m h VAL 33 CO 0.41 0.27 1.21 -0.69 -1.01 0.00 0.00 177.57 177.76 1c7m s VAL 34 N -3.80 3.58 0.00 1.51 1.01 -1.26 -1.76 120.40 119.69 1c7m s VAL 34 Ca -0.01 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1c7m s VAL 34 Cb 0.11 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1c7m s VAL 34 CO 0.65 -1.02 0.00 0.61 0.00 0.00 0.00 175.10 175.34 1c7m n GLY 35 N 5.45 0.80 3.89 4.51 0.00 0.26 -4.95 105.19 115.16 1c7m n GLY 35 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.66 3.70 0.69 1.61 3.52 -0.72 -4.85 118.95 122.24 1c7m s ARG 36 Ca 0.00 0.07 -0.16 0.00 -0.13 0.00 0.00 55.73 55.50 1c7m s ARG 36 Cb 0.00 -2.74 -0.01 0.00 -1.56 0.00 0.00 34.95 30.64 1c7m s ARG 36 CO 0.00 0.38 0.97 -2.37 -0.81 0.00 0.00 175.30 173.47 1c7m n THR 37 N -0.13 3.11 -2.48 4.11 5.66 -1.26 -0.35 114.28 122.94 1c7m n THR 37 Ca -0.01 -0.41 -0.41 0.00 -3.05 0.00 0.00 64.05 60.17 1c7m n THR 37 Cb 0.52 -1.12 -0.04 0.00 -1.55 0.00 0.00 70.33 68.15 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 -1.74 3.91 -1.34 1.08 1.01 -0.32 -1.99 120.40 121.01 1c7m s VAL 38 Ca 0.74 1.56 0.00 0.00 0.00 0.00 0.00 61.98 64.28 1c7m s VAL 38 Cb -0.36 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1c7m s VAL 38 CO 0.49 0.22 0.00 0.00 0.00 0.00 0.00 175.10 175.82 1c7m n ALA 39 N 2.82 -0.45 -1.55 5.51 0.00 -1.26 -3.74 120.51 121.85 1c7m n ALA 39 Ca 0.05 0.13 -0.30 0.00 0.00 0.00 0.00 53.44 53.32 1c7m n ALA 39 Cb 0.46 -1.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 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 -1.02 4.69 2.63 0.00 0.00 -0.84 -4.69 105.19 105.96 1c7m n GLY 40 Ca -0.18 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.55 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 -3.08 0.28 -0.49 1.61 1.01 -1.26 -4.88 120.40 113.60 1c7m s VAL 41 Ca 0.55 -0.88 -0.28 0.00 0.00 0.00 0.00 61.98 61.38 1c7m s VAL 41 Cb 0.39 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 1c7m s VAL 41 CO -0.25 -0.62 1.66 -1.81 0.00 0.00 0.00 175.10 174.09 1c7m s ASP 42 N 1.93 5.84 0.00 3.32 1.01 -1.26 -2.27 116.67 125.24 1c7m s ASP 42 Ca 0.07 0.68 0.00 0.00 0.71 0.00 0.00 52.55 54.01 1c7m s ASP 42 Cb -0.16 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.23 1c7m s ASP 42 CO -0.28 -1.86 0.00 0.61 0.21 0.00 0.00 175.17 173.85 1c7m n GLY 43 N 5.41 3.74 3.73 0.21 0.00 -1.26 -5.13 105.19 111.89 1c7m n GLY 43 Ca 0.18 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 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 3.78 -0.75 1.61 5.36 -0.96 -5.03 117.98 121.99 1c7m s PHE 44 Ca 0.00 1.77 -0.25 0.00 -0.96 0.00 0.00 56.93 57.49 1c7m s PHE 44 Cb 0.00 -3.08 0.05 0.00 -0.34 0.00 0.00 43.02 39.65 1c7m s PHE 44 CO 0.00 0.11 1.19 1.21 -1.46 0.00 0.00 175.22 176.27 1c7m s ASN 45 N 0.02 6.22 0.60 6.13 3.84 -1.26 -4.91 114.94 125.58 1c7m s ASN 45 Ca 0.47 -0.79 -0.08 0.00 0.21 0.00 0.00 52.86 52.67 1c7m s ASN 45 Cb -0.24 -2.51 -0.01 0.00 -0.55 0.00 0.00 41.25 37.95 1c7m s ASN 45 CO 0.30 -1.65 0.94 -0.31 -2.79 0.00 0.00 177.10 173.60 1c7m s TYR 46 N 5.00 3.38 0.78 0.43 2.02 -1.26 -5.09 117.35 122.61 1c7m s TYR 46 Ca 0.32 0.86 -0.11 0.00 -0.37 0.00 0.00 57.07 57.77 1c7m s TYR 46 Cb -0.10 -2.73 0.06 0.00 -0.40 0.00 0.00 41.96 38.79 1c7m s TYR 46 CO 0.10 -0.79 1.08 -1.54 -1.57 0.00 0.00 175.55 172.83 1c7m s SER 47 N -4.26 4.55 0.11 2.29 1.04 -1.26 -4.86 113.70 111.31 1c7m s SER 47 Ca 0.54 1.64 -0.23 0.00 0.48 0.00 0.00 55.95 58.37 1c7m s SER 47 Cb -0.11 -2.38 -0.07 0.00 0.10 0.00 0.00 66.02 63.56 1c7m s SER 47 CO 0.48 -1.98 1.69 -0.78 0.98 0.00 0.00 173.24 173.62 1c7m h ASP 48 N -1.09 -0.36 0.79 7.02 1.82 -1.99 -1.28 116.42 121.33 1c7m h ASP 48 Ca -0.45 0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 56.22 1c7m h ASP 48 Cb 1.24 0.16 -0.00 0.00 0.68 0.00 0.00 39.33 41.40 1c7m h ASP 48 CO 0.54 -0.17 -0.10 1.55 -1.61 0.00 0.00 179.24 179.45 1c7m h PRO 49 N -0.20 0.00 0.11 0.28 0.13 -1.86 -0.30 132.00 130.16 1c7m h PRO 49 Ca 0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.17 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 -0.13 0.10 -0.05 1.98 -0.23 0.00 0.00 178.00 179.67 1c7m h MET 50 N 0.00 -0.14 -0.68 0.86 -1.53 -1.77 -2.74 114.93 108.93 1c7m h MET 50 Ca -0.00 0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.26 1c7m h MET 50 Cb 0.53 0.03 -0.03 0.00 -0.55 0.00 0.00 31.60 31.57 1c7m h MET 50 CO 0.01 0.05 0.40 0.87 0.14 0.00 0.00 176.91 178.38 1c7m h LYS 51 N -0.31 0.93 0.00 0.39 1.57 -1.10 -3.05 116.57 114.99 1c7m h LYS 51 Ca -0.01 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1c7m h LYS 51 Cb 0.26 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1c7m h LYS 51 CO 0.02 0.67 0.00 0.00 -0.57 0.00 0.00 179.45 179.58 1c7m h ALA 52 N 1.20 1.00 0.36 3.86 0.00 -1.15 -3.28 119.26 121.25 1c7m h ALA 52 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1c7m h ALA 52 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1c7m h ALA 52 CO -0.04 0.00 -0.17 1.25 0.00 0.00 0.00 179.25 180.28 1c7m h HIS 53 N 0.00 -0.45 0.00 0.00 6.17 -1.37 -3.49 115.15 116.01 1c7m h HIS 53 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 1c7m h HIS 53 Cb 0.23 0.15 0.00 0.00 2.52 0.00 0.00 27.41 30.31 1c7m h HIS 53 CO 0.00 -0.28 0.00 0.41 0.71 0.00 0.00 177.93 178.77 1c7m n GLY 54 N -0.20 2.48 7.00 5.26 0.00 -1.24 -4.94 105.19 113.55 1c7m n GLY 54 Ca -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1c7m n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c7m n GLY 55 N 0.00 4.10 3.36 -0.02 0.00 -1.26 -1.18 105.19 110.19 1c7m n GLY 55 Ca 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.39 -1.16 1.61 1.01 -1.26 -4.19 116.67 108.30 1c7m s ASP 56 Ca 0.00 0.24 -0.21 0.00 0.71 0.00 0.00 52.55 53.29 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 -0.60 1.61 0.26 0.21 0.00 0.00 175.17 176.65 1c7m s TRP 57 N -1.84 2.63 0.68 4.23 0.23 0.53 -4.78 118.94 120.62 1c7m s TRP 57 Ca -0.09 -1.17 -0.12 0.00 -2.03 0.00 0.00 56.10 52.69 1c7m s TRP 57 Cb -0.02 -4.70 0.00 0.00 0.03 0.00 0.00 33.47 28.78 1c7m s TRP 57 CO 0.03 -1.86 1.07 0.95 0.96 0.00 0.00 176.95 178.09 1c7m s THR 58 N 4.83 3.84 -0.94 2.01 -4.23 -1.26 -0.57 115.64 119.32 1c7m s THR 58 Ca 0.51 0.68 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 1c7m s THR 58 Cb 0.02 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.55 1c7m s THR 58 CO -0.01 -0.70 0.18 -0.81 -0.54 0.00 0.00 174.62 172.74 1c7m n PRO 59 N -2.86 0.34 0.00 3.99 -0.04 -1.26 -1.64 135.00 133.53 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 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 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 0.36 0.00 -0.16 0.54 1.02 -1.26 -4.45 120.64 116.69 1c7m n GLU 60 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1c7m n GLU 60 Cb 0.09 -0.66 0.04 0.00 -0.02 0.00 0.00 31.44 30.89 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 0.61 -0.66 0.62 0.00 -1.91 -2.55 119.26 115.37 1c7m h ALA 61 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1c7m h ALA 61 Cb 0.45 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1c7m h ALA 61 CO 0.00 -0.11 0.43 -0.07 0.00 0.00 0.00 179.25 179.50 1c7m h LEU 62 N 0.47 0.70 -1.40 0.00 3.38 -1.62 0.31 115.31 117.15 1c7m h LEU 62 Ca 0.21 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1c7m h LEU 62 Cb 0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1c7m h LEU 62 CO -0.15 0.49 -0.28 1.56 0.09 0.00 0.00 178.44 180.14 1c7m h GLN 63 N 0.82 0.00 0.00 1.13 4.20 -1.74 0.18 115.11 119.70 1c7m h GLN 63 Ca 0.26 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1c7m h GLN 63 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1c7m h GLN 63 CO -0.07 0.28 -0.00 0.93 -0.67 0.00 0.00 178.83 179.30 1c7m h GLU 64 N 0.00 -0.00 -0.29 1.46 5.08 -1.35 -3.37 114.58 116.12 1c7m h GLU 64 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1c7m h GLU 64 Cb 0.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1c7m h GLU 64 CO 0.04 0.88 0.19 0.35 -1.00 0.00 0.00 179.01 179.47 1c7m h PHE 65 N -0.97 0.36 0.00 4.33 3.57 -0.93 -2.26 116.94 121.04 1c7m h PHE 65 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1c7m h PHE 65 Cb 0.89 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.51 1c7m h PHE 65 CO 0.25 0.23 0.00 -0.07 -2.23 0.00 0.00 178.31 176.49 1c7m h LEU 66 N 0.38 0.00 0.03 0.59 3.38 -0.85 -1.05 115.31 117.79 1c7m h LEU 66 Ca 0.10 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.73 1c7m h LEU 66 Cb -0.04 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1c7m h LEU 66 CO -0.02 0.00 -2.12 0.41 0.09 0.00 0.00 178.44 176.80 1c7m n THR 67 N -2.47 1.56 -3.51 0.22 -1.04 -1.16 -0.03 114.28 107.85 1c7m n THR 67 Ca -0.00 -0.74 -0.28 0.00 -2.04 0.00 0.00 64.05 60.99 1c7m n THR 67 Cb 0.12 -1.11 -0.11 0.00 -1.82 0.00 0.00 70.33 67.42 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 -6.22 2.40 0.21 8.00 0.02 -0.86 -4.08 114.94 114.41 1c7m s ASN 68 Ca -0.16 -2.98 -0.09 0.00 -1.02 0.00 0.00 52.86 48.61 1c7m s ASN 68 Cb 0.07 -0.66 0.24 0.00 0.02 0.00 0.00 41.25 40.92 1c7m s ASN 68 CO 0.77 -0.19 1.82 -0.65 0.02 0.00 0.00 177.10 178.86 1c7m h PRO 69 N 5.96 0.72 0.00 -0.60 0.11 -1.44 -2.08 132.00 134.67 1c7m h PRO 69 Ca 0.19 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1c7m h PRO 69 Cb 0.90 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1c7m h PRO 69 CO 0.41 0.47 0.00 0.36 -0.21 0.00 0.00 178.00 179.03 1c7m n LYS 70 N -4.75 1.00 0.00 1.05 2.85 -1.26 -1.68 118.16 115.36 1c7m n LYS 70 Ca 0.08 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.14 1c7m n LYS 70 Cb 0.16 -1.37 -0.14 0.00 -0.65 0.00 0.00 35.03 33.03 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 3.73 0.08 0.07 0.58 0.00 -1.76 -3.20 119.26 118.76 1c7m h ALA 71 Ca 0.00 -0.90 -0.00 0.00 0.00 0.00 0.00 54.91 54.01 1c7m h ALA 71 Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1c7m h ALA 71 CO 0.00 0.57 -0.03 0.28 0.00 0.00 0.00 179.25 180.06 1c7m h VAL 72 N -0.48 1.22 -3.47 0.00 2.07 -1.61 -3.39 116.25 110.60 1c7m h VAL 72 Ca -0.22 -1.37 -0.71 0.00 0.82 0.00 0.00 66.70 65.22 1c7m h VAL 72 Cb 1.58 2.06 -0.34 0.00 -1.52 0.00 0.00 31.29 33.07 1c7m h VAL 72 CO 0.05 0.32 -0.17 -0.69 0.02 0.00 0.00 177.57 177.11 1c7m s VAL 73 N -3.46 4.27 -0.27 2.57 1.01 -0.68 -5.07 120.40 118.77 1c7m s VAL 73 Ca -0.15 -3.38 -0.29 0.00 0.00 0.00 0.00 61.98 58.17 1c7m s VAL 73 Cb 0.00 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1c7m s VAL 73 CO 0.58 -1.00 1.85 -1.59 0.00 0.00 0.00 175.10 174.94 1c7m s LYS 74 N -0.71 3.43 0.00 2.72 0.00 -1.21 -1.82 119.74 122.15 1c7m s LYS 74 Ca 0.23 1.64 0.00 0.00 0.00 0.00 0.00 55.97 57.84 1c7m s LYS 74 Cb -0.13 -4.19 0.00 0.00 0.00 0.00 0.00 37.83 33.51 1c7m s LYS 74 CO -0.08 -1.75 0.00 0.41 0.00 0.00 0.00 175.35 173.93 1c7m n GLY 75 N 5.30 1.03 3.72 0.59 0.00 -1.26 -4.76 105.19 109.81 1c7m n GLY 75 Ca 0.23 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.34 4.42 -0.79 2.61 -1.32 -0.76 -4.56 115.64 112.90 1c7m s THR 76 Ca 0.00 1.91 0.00 0.00 -1.21 0.00 0.00 61.69 62.39 1c7m s THR 76 Cb 0.00 -4.22 0.00 0.00 -1.51 0.00 0.00 72.50 66.77 1c7m s THR 76 CO 0.00 0.25 0.40 2.29 -2.21 0.00 0.00 174.62 175.35 1c7m n LYS 77 N 3.13 0.66 -2.95 7.08 2.85 -1.26 -4.76 118.16 122.90 1c7m n LYS 77 Ca 0.04 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.87 1c7m n LYS 77 Cb 0.49 -1.30 -0.05 0.00 -0.65 0.00 0.00 35.03 33.52 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 -0.72 3.26 -1.34 -1.58 1.75 -1.26 -4.99 119.30 114.42 1c7m s MET 78 Ca 0.00 -0.48 -0.16 0.00 -1.25 0.00 0.00 55.69 53.80 1c7m s MET 78 Cb 0.00 -4.07 0.01 0.00 2.84 0.00 0.00 34.83 33.61 1c7m s MET 78 CO 0.00 -1.38 2.15 0.00 -0.65 0.00 0.00 175.02 175.14 1c7m n ALA 79 N 6.98 5.03 -3.68 4.11 0.00 -1.26 -4.89 120.51 126.82 1c7m n ALA 79 Ca -0.01 -3.78 -0.18 0.00 0.00 0.00 0.00 53.44 49.47 1c7m n ALA 79 Cb 0.47 -3.56 -0.16 0.00 0.00 0.00 0.00 19.45 16.20 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 3.64 0.47 0.06 0.00 5.36 -1.26 -5.08 117.98 121.17 1c7m s PHE 80 Ca 0.49 -0.08 -0.11 0.00 -0.96 0.00 0.00 56.93 56.28 1c7m s PHE 80 Cb 0.13 -0.50 -0.28 0.00 -0.34 0.00 0.00 43.02 42.03 1c7m s PHE 80 CO -0.04 -0.15 1.11 0.00 -1.46 0.00 0.00 175.22 174.68 1c7m h ALA 81 N 7.22 0.03 0.00 11.12 0.00 -1.93 -3.42 119.26 132.28 1c7m h ALA 81 Ca -0.41 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 53.69 1c7m h ALA 81 Cb 1.14 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1c7m h ALA 81 CO 0.47 0.78 0.00 0.41 0.00 0.00 0.00 179.25 180.91 1c7m n GLY 82 N 1.44 4.79 3.73 0.00 0.00 -1.26 -4.55 105.19 109.35 1c7m n GLY 82 Ca -0.12 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 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 4.49 -0.13 0.99 1.43 0.95 -4.91 118.68 121.50 1c7m s LEU 83 Ca 0.00 1.80 -0.15 0.00 -1.03 0.00 0.00 54.13 54.74 1c7m s LEU 83 Cb 0.00 -3.59 -0.13 0.00 0.03 0.00 0.00 46.19 42.50 1c7m s LEU 83 CO 0.00 -0.08 0.31 1.55 0.23 0.00 0.00 176.35 178.36 1c7m h PRO 84 N 5.64 0.00 -6.75 1.29 0.13 -1.94 -3.39 132.00 126.98 1c7m h PRO 84 Ca -0.43 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.21 1c7m h PRO 84 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1c7m h PRO 84 CO 0.72 0.52 0.13 0.15 -0.23 0.00 0.00 178.00 179.29 1c7m s LYS 85 N -1.99 4.08 0.28 0.86 -0.14 -1.26 -5.00 119.74 116.57 1c7m s LYS 85 Ca -0.13 0.77 0.00 0.00 -1.36 0.00 0.00 55.97 55.26 1c7m s LYS 85 Cb -0.00 -2.47 0.52 0.00 -1.68 0.00 0.00 37.83 34.20 1c7m s LYS 85 CO 0.37 0.17 1.85 0.97 -0.76 0.00 0.00 175.35 177.95 1c7m h ILE 86 N 2.08 0.97 -0.25 2.17 -0.00 -1.98 -2.41 117.51 118.08 1c7m h ILE 86 Ca -0.48 -0.36 -0.01 0.00 -0.00 0.00 0.00 64.86 64.01 1c7m h ILE 86 Cb 1.18 -0.17 -0.01 0.00 -0.00 0.00 0.00 36.82 37.82 1c7m h ILE 86 CO 0.65 0.19 0.12 -0.33 -0.00 0.00 0.00 178.15 178.78 1c7m h GLU 87 N 1.04 0.34 0.73 2.19 5.08 -1.98 -1.42 114.58 120.57 1c7m h GLU 87 Ca 0.48 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.77 1c7m h GLU 87 Cb 0.40 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.59 1c7m h GLU 87 CO -0.24 0.27 -0.35 -0.44 -1.00 0.00 0.00 179.01 177.25 1c7m h ASP 88 N 0.35 -0.83 -0.52 1.42 3.32 -1.82 -1.26 116.42 117.07 1c7m h ASP 88 Ca 0.09 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 1c7m h ASP 88 Cb 0.04 0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1c7m h ASP 88 CO -0.01 -0.54 0.19 0.08 -1.72 0.00 0.00 179.24 177.23 1c7m h ARG 89 N -1.07 0.79 -0.64 3.56 -0.00 -1.62 -2.41 114.38 113.00 1c7m h ARG 89 Ca -0.10 -0.16 0.02 0.00 -0.00 0.00 0.00 59.98 59.74 1c7m h ARG 89 Cb 0.77 -0.12 -0.04 0.00 -0.00 0.00 0.00 29.97 30.58 1c7m h ARG 89 CO 0.16 0.72 0.41 0.00 -0.00 0.00 0.00 179.97 181.26 1c7m h ALA 90 N 1.04 0.82 -0.01 0.08 0.00 -1.32 0.13 119.26 120.00 1c7m h ALA 90 Ca 0.17 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1c7m h ALA 90 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1c7m h ALA 90 CO -0.01 0.18 -0.02 -0.91 0.00 0.00 0.00 179.25 178.49 1c7m h ASN 91 N 0.81 -0.07 -0.58 0.00 2.35 -1.29 -2.13 115.58 114.67 1c7m h ASN 91 Ca 0.25 0.01 0.08 0.00 -0.55 0.00 0.00 56.30 56.09 1c7m h ASN 91 Cb -0.02 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.32 1c7m h ASN 91 CO -0.08 -0.03 0.24 0.25 -1.65 0.00 0.00 177.43 176.16 1c7m h LEU 92 N -0.03 0.28 -0.62 1.61 7.12 -1.38 -2.25 115.31 120.03 1c7m h LEU 92 Ca 0.01 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.09 1c7m h LEU 92 Cb 0.05 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.18 1c7m h LEU 92 CO -0.03 0.18 0.39 0.40 -0.13 0.00 0.00 178.44 179.25 1c7m h ILE 93 N 0.45 1.17 -0.73 4.05 2.04 -0.70 -0.35 117.51 123.44 1c7m h ILE 93 Ca 0.28 -0.35 0.09 0.00 1.00 0.00 0.00 64.86 65.88 1c7m h ILE 93 Cb 0.30 0.29 -0.07 0.00 -0.74 0.00 0.00 36.82 36.60 1c7m h ILE 93 CO -0.26 0.17 0.39 0.00 0.00 0.00 0.00 178.15 178.45 1c7m h ALA 94 N 1.21 1.01 -0.18 1.87 0.00 -1.33 -0.48 119.26 121.36 1c7m h ALA 94 Ca 0.23 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1c7m h ALA 94 Cb -0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1c7m h ALA 94 CO -0.05 0.01 -0.00 -0.92 0.00 0.00 0.00 179.25 178.29 1c7m h TYR 95 N 0.67 -0.01 -0.01 0.00 3.20 -1.07 -2.54 116.97 117.21 1c7m h TYR 95 Ca 0.35 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.19 1c7m h TYR 95 Cb 0.33 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1c7m h TYR 95 CO -0.09 -0.03 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.13 1c7m h LEU 96 N 0.06 0.01 0.06 2.82 3.38 -0.91 -1.47 115.31 119.25 1c7m h LEU 96 Ca 0.09 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1c7m h LEU 96 Cb 0.11 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1c7m h LEU 96 CO -0.15 0.21 -0.03 -0.33 0.09 0.00 0.00 178.44 178.24 1c7m h GLU 97 N 0.01 -0.08 -0.43 1.13 5.08 -1.06 -3.27 114.58 115.97 1c7m h GLU 97 Ca 0.00 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1c7m h GLU 97 Cb 0.36 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1c7m h GLU 97 CO 0.03 0.09 -0.10 0.78 -1.00 0.00 0.00 179.01 178.80 1c7m h GLY 98 N -0.23 0.83 -7.42 -3.84 0.00 -1.35 -3.41 103.07 87.64 1c7m h GLY 98 Ca -0.01 -0.62 -0.69 0.00 0.00 0.00 0.00 47.33 46.02 1c7m h GLY 98 CO 0.01 0.57 0.74 1.20 0.00 0.00 0.00 176.54 179.06 1c7m s GLN 99 N -4.80 3.51 0.00 4.80 1.11 -0.56 -5.03 119.66 118.68 1c7m s GLN 99 Ca -0.09 -1.64 0.00 0.00 0.01 0.00 0.00 55.36 53.64 1c7m s GLN 99 Cb 0.14 -4.79 0.00 0.00 -1.01 0.00 0.00 33.01 27.35 1c7m s GLN 99 CO 0.82 -1.75 0.00 0.00 0.01 0.00 0.00 175.29 174.36