#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c7m n ALA 2 N 0.00 4.40 -3.95 3.04 0.00 -1.26 -2.65 120.51 120.08 1c7m n ALA 2 Ca 0.00 -4.70 -0.32 0.00 0.00 0.00 0.00 53.44 48.43 1c7m n ALA 2 Cb 0.00 -2.25 -0.14 0.00 0.00 0.00 0.00 19.45 17.06 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 0.16 4.73 0.24 0.00 1.11 -1.26 -5.03 116.67 116.62 1c7m s ASP 3 Ca 0.31 -2.43 0.05 0.00 0.18 0.00 0.00 52.55 50.66 1c7m s ASP 3 Cb -0.05 -1.67 0.26 0.00 1.07 0.00 0.00 42.92 42.53 1c7m s ASP 3 CO -0.04 -0.36 1.57 1.55 1.18 0.00 0.00 175.17 179.07 1c7m h PRO 4 N 7.32 0.23 -0.29 8.23 0.13 -1.87 -2.60 132.00 143.14 1c7m h PRO 4 Ca -0.06 -0.16 -0.05 0.00 -0.87 0.00 0.00 66.00 64.87 1c7m h PRO 4 Cb 0.98 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 1c7m h PRO 4 CO 0.60 0.76 -0.02 0.00 -0.23 0.00 0.00 178.00 179.11 1c7m h ALA 5 N 1.21 1.43 0.00 -0.56 0.00 -1.95 -2.50 119.26 116.89 1c7m h ALA 5 Ca -0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1c7m h ALA 5 Cb 1.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1c7m h ALA 5 CO 0.09 0.40 -0.26 0.00 0.00 0.00 0.00 179.25 179.48 1c7m h ALA 6 N 1.56 1.08 0.00 0.00 0.00 -1.89 -3.28 119.26 116.72 1c7m h ALA 6 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1c7m h ALA 6 Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1c7m h ALA 6 CO 0.01 0.32 0.00 0.78 0.00 0.00 0.00 179.25 180.37 1c7m h GLY 7 N 1.79 0.00 0.90 0.00 0.00 -1.06 -3.30 103.07 101.40 1c7m h GLY 7 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 1c7m h GLY 7 CO 0.03 0.00 -0.01 1.05 0.00 0.00 0.00 176.54 177.61 1c7m h GLU 8 N 0.00 0.57 -0.58 4.80 -0.00 -1.55 -0.44 114.58 117.38 1c7m h GLU 8 Ca 0.00 -0.19 -0.04 0.00 -0.00 0.00 0.00 59.36 59.13 1c7m h GLU 8 Cb 0.69 -0.05 -0.03 0.00 -0.00 0.00 0.00 28.75 29.37 1c7m h GLU 8 CO 0.00 0.72 0.20 1.57 -0.00 0.00 0.00 179.01 181.50 1c7m h LYS 9 N 0.37 0.86 -0.76 1.06 2.10 -1.75 -2.35 116.57 116.09 1c7m h LYS 9 Ca 0.09 -0.15 -0.02 0.00 -2.00 0.00 0.00 60.65 58.58 1c7m h LYS 9 Cb 0.47 -0.14 -0.04 0.00 -0.90 0.00 0.00 32.23 31.62 1c7m h LYS 9 CO 0.02 0.72 0.42 0.28 -2.00 0.00 0.00 179.45 178.89 1c7m h VAL 10 N 0.84 1.23 -0.02 0.07 2.07 -1.61 -2.73 116.25 116.10 1c7m h VAL 10 Ca 0.20 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1c7m h VAL 10 Cb 0.21 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1c7m h VAL 10 CO -0.01 0.26 0.02 0.15 0.02 0.00 0.00 177.57 178.01 1c7m h PHE 11 N 1.06 0.00 -0.46 1.57 3.57 -0.93 -2.54 116.94 119.21 1c7m h PHE 11 Ca 0.27 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.90 1c7m h PHE 11 Cb 0.04 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 1c7m h PHE 11 CO 0.00 0.00 0.44 0.78 -2.23 0.00 0.00 178.31 177.31 1c7m h GLY 12 N 0.00 0.00 1.34 2.40 0.00 -1.09 0.01 103.07 105.73 1c7m h GLY 12 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 1c7m h GLY 12 CO -0.00 0.00 -0.16 0.50 0.00 0.00 0.00 176.54 176.88 1c7m h LYS 13 N 0.00 0.77 0.08 4.80 1.79 -1.55 -3.35 116.57 119.11 1c7m h LYS 13 Ca 0.22 -0.28 -0.26 0.00 -2.18 0.00 0.00 60.65 58.15 1c7m h LYS 13 Cb 1.10 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.69 1c7m h LYS 13 CO -0.00 0.88 -1.23 0.00 -1.08 0.00 0.00 179.45 178.02 1c7m h LYS 15 N 0.05 0.00 -0.47 0.00 2.10 -1.18 -1.46 116.57 115.61 1c7m h LYS 15 Ca -0.12 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.50 1c7m h LYS 15 Cb 1.92 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.23 1c7m h LYS 15 CO 0.17 0.01 0.14 0.00 -2.00 0.00 0.00 179.45 177.76 1c7m h ALA 16 N 1.99 1.37 0.08 0.07 0.00 -1.84 -3.33 119.26 117.60 1c7m h ALA 16 Ca -0.00 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.50 1c7m h ALA 16 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1c7m h ALA 16 CO 0.00 0.46 -1.29 0.00 0.00 0.00 0.00 179.25 178.42 1c7m s HIS 18 N -2.43 2.90 -0.23 0.00 3.76 -0.62 -0.68 115.29 117.98 1c7m s HIS 18 Ca -0.22 -0.26 -0.03 0.00 -0.15 0.00 0.00 55.06 54.40 1c7m s HIS 18 Cb 0.04 -1.80 -0.18 0.00 1.11 0.00 0.00 32.58 31.74 1c7m s HIS 18 CO 0.72 0.07 -0.10 1.63 -0.85 0.00 0.00 174.74 176.21 1c7m n LYS 19 N 2.94 0.66 -1.25 1.40 4.76 -1.09 -4.22 118.16 121.36 1c7m n LYS 19 Ca -0.18 0.21 -0.11 0.00 -2.87 0.00 0.00 58.31 55.36 1c7m n LYS 19 Cb 0.53 -1.57 -0.05 0.00 -1.84 0.00 0.00 35.03 32.10 1c7m n LYS 19 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 1c7m n LEU 20 N -3.49 -0.61 -3.25 -0.35 -0.00 -1.25 -4.90 117.00 103.15 1c7m n LEU 20 Ca -0.44 0.28 -0.37 0.00 -0.00 0.00 0.00 56.01 55.48 1c7m n LEU 20 Cb 0.98 -2.17 0.01 0.00 -0.00 0.00 0.00 43.42 42.24 1c7m n LEU 20 CO 0.26 -0.79 1.16 0.47 -0.00 0.00 0.00 177.39 178.50 1c7m n ASP 21 N -0.53 6.75 -0.67 1.45 8.00 -1.26 -4.44 116.55 125.84 1c7m n ASP 21 Ca -0.11 -3.73 -0.08 0.00 0.71 0.00 0.00 54.79 51.58 1c7m n ASP 21 Cb 0.47 -0.99 -0.03 0.00 -0.02 0.00 0.00 41.12 40.54 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 -0.25 0.76 3.16 0.44 0.00 -1.26 -4.99 105.19 103.05 1c7m n GLY 22 Ca 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.10 1.02 0.00 1.61 0.01 -1.26 -4.98 114.94 109.24 1c7m s ASN 23 Ca 0.00 -1.02 0.00 0.00 -0.71 0.00 0.00 52.86 51.13 1c7m s ASN 23 Cb 0.00 0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.78 1c7m s ASN 23 CO 0.00 -0.50 0.00 0.47 -1.51 0.00 0.00 177.10 175.56 1c7m n ASP 24 N -0.03 0.00 0.00 -1.22 8.00 -1.26 -3.63 116.55 118.41 1c7m n ASP 24 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1c7m n ASP 24 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 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 2.79 0.74 0.11 0.44 0.00 -1.26 -2.67 105.19 105.34 1c7m n GLY 25 Ca 0.00 -1.13 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 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 1.53 -2.60 1.61 0.31 0.14 -5.00 118.33 114.32 1c7m n VAL 26 Ca 0.00 -0.08 -0.23 0.00 -0.01 0.00 0.00 64.34 64.02 1c7m n VAL 26 Cb 0.00 -2.04 0.09 0.00 -0.91 0.00 0.00 33.84 30.98 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 -4.94 1.77 1.02 2.92 0.00 -0.61 -5.02 107.32 102.45 1c7m s GLY 27 Ca -0.30 -1.65 -0.13 0.00 0.00 0.00 0.00 44.72 42.64 1c7m s GLY 27 CO 0.55 -1.14 1.10 2.56 0.00 0.00 0.00 173.10 176.17 1c7m s PRO 28 N -5.05 0.29 0.09 2.90 0.04 -1.26 -4.55 135.00 127.46 1c7m s PRO 28 Ca 0.64 0.40 -0.31 0.00 0.04 0.00 0.00 61.00 61.77 1c7m s PRO 28 Cb -0.06 -1.73 -0.08 0.00 0.04 0.00 0.00 34.50 32.66 1c7m s PRO 28 CO 0.43 -2.80 1.53 -3.38 0.04 0.00 0.00 177.00 172.82 1c7m s HIS 29 N -3.02 2.85 -1.71 0.56 -3.43 -1.24 -4.44 115.29 104.86 1c7m s HIS 29 Ca 0.66 0.63 0.21 0.00 -0.80 0.00 0.00 55.06 55.76 1c7m s HIS 29 Cb -0.17 -3.84 0.67 0.00 -1.43 0.00 0.00 32.58 27.81 1c7m s HIS 29 CO 0.57 -3.17 1.57 1.28 -2.00 0.00 0.00 174.74 172.99 1c7m n LEU 30 N 4.76 4.19 -4.61 5.38 4.77 -1.26 -4.88 117.00 125.35 1c7m n LEU 30 Ca 0.14 -2.10 -0.43 0.00 -0.03 0.00 0.00 56.01 53.59 1c7m n LEU 30 Cb 0.41 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1c7m n LEU 30 CO 0.61 0.92 1.48 0.54 -1.33 0.00 0.00 177.39 179.60 1c7m s ASN 31 N -0.96 6.09 -0.37 -1.43 4.22 -1.26 -2.87 114.94 118.36 1c7m s ASN 31 Ca 0.49 1.50 -0.02 0.00 -2.14 0.00 0.00 52.86 52.69 1c7m s ASN 31 Cb 0.28 -2.53 0.00 0.00 1.28 0.00 0.00 41.25 40.28 1c7m s ASN 31 CO 0.30 -1.51 0.33 0.61 -2.04 0.00 0.00 177.10 174.78 1c7m n GLY 32 N 5.11 0.53 0.09 0.45 0.00 -0.34 -4.74 105.19 106.28 1c7m n GLY 32 Ca 0.21 -0.42 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.74 1.09 -2.83 1.61 3.04 -1.73 -3.39 116.25 113.31 1c7m h VAL 33 Ca -0.16 -2.71 -0.55 0.00 -1.01 0.00 0.00 66.70 62.28 1c7m h VAL 33 Cb 1.10 2.50 -0.05 0.00 -2.01 0.00 0.00 31.29 32.83 1c7m h VAL 33 CO 0.15 0.62 1.14 -0.69 -1.01 0.00 0.00 177.57 177.78 1c7m s VAL 34 N -2.79 3.74 0.00 1.51 1.01 -1.26 -1.81 120.40 120.80 1c7m s VAL 34 Ca -0.00 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1c7m s VAL 34 Cb 0.09 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1c7m s VAL 34 CO 0.80 -0.98 0.00 0.61 0.00 0.00 0.00 175.10 175.54 1c7m n GLY 35 N 5.28 0.81 3.89 4.51 0.00 0.30 -4.98 105.19 115.00 1c7m n GLY 35 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.63 3.62 0.64 1.61 3.52 -0.75 -4.83 118.95 122.12 1c7m s ARG 36 Ca 0.00 -0.09 -0.18 0.00 -0.13 0.00 0.00 55.73 55.33 1c7m s ARG 36 Cb 0.00 -2.90 -0.01 0.00 -1.56 0.00 0.00 34.95 30.47 1c7m s ARG 36 CO 0.00 0.51 1.29 -0.08 -0.81 0.00 0.00 175.30 176.20 1c7m s THR 37 N -1.58 2.11 -0.27 4.11 -1.32 -1.26 -0.24 115.64 117.18 1c7m s THR 37 Ca 0.38 0.07 -0.29 0.00 -1.21 0.00 0.00 61.69 60.64 1c7m s THR 37 Cb -0.12 -3.03 0.00 0.00 -1.51 0.00 0.00 72.50 67.84 1c7m s THR 37 CO 0.23 -0.01 1.20 -0.69 -2.21 0.00 0.00 174.62 173.14 1c7m s VAL 38 N -1.41 4.33 -0.26 5.08 1.01 -0.39 -3.22 120.40 125.53 1c7m s VAL 38 Ca 0.82 1.54 -0.04 0.00 0.00 0.00 0.00 61.98 64.30 1c7m s VAL 38 Cb -0.37 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 31.80 1c7m s VAL 38 CO 0.39 -0.39 0.29 0.00 0.00 0.00 0.00 175.10 175.39 1c7m n ALA 39 N 7.08 -2.50 -2.74 5.51 0.00 -1.26 -3.13 120.51 123.48 1c7m n ALA 39 Ca 0.13 0.28 -0.08 0.00 0.00 0.00 0.00 53.44 53.77 1c7m n ALA 39 Cb 0.46 -1.21 0.07 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.86 0.26 2.92 0.00 0.00 -1.20 -4.97 105.19 101.34 1c7m n GLY 40 Ca 0.03 0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 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 0.45 0.49 -0.15 1.61 1.01 -1.26 -4.82 120.40 117.72 1c7m s VAL 41 Ca 0.26 -0.16 -0.32 0.00 0.00 0.00 0.00 61.98 61.77 1c7m s VAL 41 Cb 0.26 -0.48 -0.09 0.00 0.00 0.00 0.00 36.38 36.07 1c7m s VAL 41 CO -0.14 0.19 2.06 -0.90 0.00 0.00 0.00 175.10 176.31 1c7m n ASP 42 N 3.62 3.31 0.00 3.32 5.68 -1.26 -2.89 116.55 128.33 1c7m n ASP 42 Ca -0.21 0.62 0.00 0.00 -0.50 0.00 0.00 54.79 54.70 1c7m n ASP 42 Cb 0.53 -1.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.07 1c7m n ASP 42 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c7m n GLY 43 N 5.23 2.80 3.71 6.12 0.00 -1.26 -5.01 105.19 116.79 1c7m n GLY 43 Ca 0.28 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.67 3.57 -0.23 1.61 5.36 -1.14 -5.02 117.98 119.46 1c7m s PHE 44 Ca 0.00 1.24 0.18 0.00 -0.96 0.00 0.00 56.93 57.39 1c7m s PHE 44 Cb 0.00 -2.81 0.08 0.00 -0.34 0.00 0.00 43.02 39.96 1c7m s PHE 44 CO 0.00 0.08 1.30 -0.97 -1.46 0.00 0.00 175.22 174.17 1c7m h ASN 45 N 6.78 0.00 -3.68 6.13 -0.73 -1.98 -3.45 115.58 118.65 1c7m h ASN 45 Ca -0.41 0.00 0.28 0.00 1.87 0.00 0.00 56.30 58.05 1c7m h ASN 45 Cb 1.19 0.00 -0.15 0.00 0.27 0.00 0.00 38.32 39.64 1c7m h ASN 45 CO 0.76 0.31 -0.97 -1.22 -0.37 0.00 0.00 177.43 175.94 1c7m n TYR 46 N -3.04 -3.09 -2.14 0.67 4.01 -1.26 -4.95 117.16 107.36 1c7m n TYR 46 Ca -0.00 1.69 -0.31 0.00 -0.16 0.00 0.00 57.90 59.12 1c7m n TYR 46 Cb 0.68 -2.81 -0.00 0.00 -0.31 0.00 0.00 39.34 36.89 1c7m n TYR 46 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1c7m s SER 47 N -6.65 6.34 0.12 7.72 1.04 -1.26 -4.96 113.70 116.04 1c7m s SER 47 Ca 0.00 1.37 -0.20 0.00 0.48 0.00 0.00 55.95 57.61 1c7m s SER 47 Cb 0.00 -2.44 -0.05 0.00 0.10 0.00 0.00 66.02 63.62 1c7m s SER 47 CO 0.00 -0.74 1.76 0.44 0.98 0.00 0.00 173.24 175.67 1c7m h ASP 48 N 0.11 0.13 0.65 7.02 3.32 -1.93 -1.91 116.42 123.81 1c7m h ASP 48 Ca -0.45 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.57 1c7m h ASP 48 Cb 1.19 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 1c7m h ASP 48 CO 0.62 0.11 -0.17 1.55 -1.72 0.00 0.00 179.24 179.63 1c7m h PRO 49 N 0.20 0.00 0.13 3.56 0.13 -1.85 -1.01 132.00 133.16 1c7m h PRO 49 Ca 0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 1c7m h PRO 49 Cb 0.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1c7m h PRO 49 CO -0.06 0.17 -0.06 1.98 -0.23 0.00 0.00 178.00 179.79 1c7m h MET 50 N 0.00 -0.17 -0.55 0.86 -1.53 -1.77 -2.68 114.93 109.09 1c7m h MET 50 Ca -0.00 0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.25 1c7m h MET 50 Cb 0.53 0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.60 1c7m h MET 50 CO 0.02 -0.05 0.27 0.87 0.14 0.00 0.00 176.91 178.17 1c7m h LYS 51 N -0.26 0.77 0.00 0.39 1.57 -1.26 -2.90 116.57 114.88 1c7m h LYS 51 Ca -0.02 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1c7m h LYS 51 Cb 0.21 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1c7m h LYS 51 CO 0.03 0.59 -0.03 0.00 -0.57 0.00 0.00 179.45 179.47 1c7m h ALA 52 N 1.53 1.10 0.21 3.86 0.00 -1.22 -3.29 119.26 121.44 1c7m h ALA 52 Ca 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1c7m h ALA 52 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1c7m h ALA 52 CO -0.03 0.04 -0.10 1.25 0.00 0.00 0.00 179.25 180.41 1c7m h HIS 53 N 0.00 -0.26 0.00 0.00 -0.00 -1.26 -3.49 115.15 110.14 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 0.22 0.09 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 1c7m h HIS 53 CO 0.00 -0.16 0.00 0.41 -0.00 0.00 0.00 177.93 178.18 1c7m n GLY 54 N -0.12 2.66 7.00 5.26 0.00 -1.18 -4.96 105.19 113.85 1c7m n GLY 54 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 3.78 3.27 -0.02 0.00 -1.26 -1.27 105.19 109.69 1c7m n GLY 55 Ca 0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.23 -1.18 1.61 1.01 -1.26 -4.07 116.67 108.55 1c7m s ASP 56 Ca 0.00 0.11 -0.21 0.00 0.71 0.00 0.00 52.55 53.16 1c7m s ASP 56 Cb 0.00 0.34 0.03 0.00 1.01 0.00 0.00 42.92 44.30 1c7m s ASP 56 CO 0.00 -0.49 1.72 0.26 0.21 0.00 0.00 175.17 176.87 1c7m s TRP 57 N -1.49 2.50 0.74 4.23 0.23 0.67 -4.83 118.94 120.98 1c7m s TRP 57 Ca -0.12 -0.89 -0.11 0.00 -2.03 0.00 0.00 56.10 52.96 1c7m s TRP 57 Cb -0.04 -4.55 0.04 0.00 0.03 0.00 0.00 33.47 28.94 1c7m s TRP 57 CO 0.04 -1.73 1.08 0.95 0.96 0.00 0.00 176.95 178.24 1c7m s THR 58 N 6.07 3.63 -0.59 2.01 -4.23 -1.26 -0.54 115.64 120.73 1c7m s THR 58 Ca 0.56 0.53 0.00 0.00 -1.18 0.00 0.00 61.69 61.60 1c7m s THR 58 Cb 0.01 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.72 1c7m s THR 58 CO 0.04 -0.69 0.23 -0.81 -0.54 0.00 0.00 174.62 172.85 1c7m n PRO 59 N -3.35 0.33 0.00 3.99 -0.04 -1.26 -2.06 135.00 132.61 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 -1.23 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 0.54 0.00 -0.24 0.54 -0.58 -1.26 -4.59 120.64 115.05 1c7m n GLU 60 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1c7m n GLU 60 Cb 0.12 -0.41 0.12 0.00 -0.57 0.00 0.00 31.44 30.70 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 0.96 -0.37 0.62 0.00 -1.90 -2.26 119.26 116.30 1c7m h ALA 61 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1c7m h ALA 61 Cb 0.39 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1c7m h ALA 61 CO 0.00 0.01 0.25 -0.07 0.00 0.00 0.00 179.25 179.44 1c7m h LEU 62 N 0.66 0.34 -1.23 0.00 3.38 -1.73 -1.76 115.31 114.96 1c7m h LEU 62 Ca 0.33 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.26 1c7m h LEU 62 Cb 0.29 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1c7m h LEU 62 CO -0.23 0.23 0.12 1.56 0.09 0.00 0.00 178.44 180.21 1c7m h GLN 63 N 0.39 0.65 0.04 1.13 1.08 -1.66 0.13 115.11 116.88 1c7m h GLN 63 Ca 0.15 -0.11 -0.32 0.00 -1.45 0.00 0.00 58.65 56.92 1c7m h GLN 63 Cb 0.12 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.40 1c7m h GLN 63 CO -0.03 0.58 -1.82 -1.91 -0.95 0.00 0.00 178.83 174.70 1c7m n GLU 64 N -4.32 0.68 -0.28 1.46 4.07 -1.20 -4.10 120.64 116.95 1c7m n GLU 64 Ca 0.03 0.28 -0.05 0.00 -0.06 0.00 0.00 57.16 57.36 1c7m n GLU 64 Cb 0.19 -1.76 0.06 0.00 -0.06 0.00 0.00 31.44 29.88 1c7m n GLU 64 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 1c7m h PHE 65 N 0.03 1.05 0.00 4.31 3.57 -1.31 -0.22 116.94 124.37 1c7m h PHE 65 Ca -0.34 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.14 1c7m h PHE 65 Cb 2.02 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 40.43 1c7m h PHE 65 CO 0.03 0.73 0.00 1.28 -2.23 0.00 0.00 178.31 178.12 1c7m n LEU 66 N -4.45 0.00 -0.11 0.59 4.77 0.47 -1.79 117.00 116.49 1c7m n LEU 66 Ca 0.07 0.49 -0.14 0.00 -0.03 0.00 0.00 56.01 56.41 1c7m n LEU 66 Cb 0.08 -0.49 -0.11 0.00 -2.33 0.00 0.00 43.42 40.57 1c7m n LEU 66 CO 0.38 -0.31 -1.19 0.41 -1.33 0.00 0.00 177.39 175.35 1c7m n THR 67 N -1.49 1.27 -3.51 -5.08 -1.04 -1.10 -0.22 114.28 103.11 1c7m n THR 67 Ca 0.03 -0.57 -0.27 0.00 -2.04 0.00 0.00 64.05 61.19 1c7m n THR 67 Cb 0.12 -1.08 -0.11 0.00 -1.82 0.00 0.00 70.33 67.45 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 -5.90 2.27 0.17 8.00 0.01 -0.11 -4.12 114.94 115.26 1c7m s ASN 68 Ca -0.24 -3.18 -0.15 0.00 -0.71 0.00 0.00 52.86 48.57 1c7m s ASN 68 Cb 0.07 -0.70 0.12 0.00 0.41 0.00 0.00 41.25 41.15 1c7m s ASN 68 CO 0.58 -0.16 1.71 -0.65 -1.51 0.00 0.00 177.10 177.07 1c7m h PRO 69 N 5.68 0.17 0.00 -0.60 0.11 -1.56 -2.59 132.00 133.20 1c7m h PRO 69 Ca 0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1c7m h PRO 69 Cb 0.88 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1c7m h PRO 69 CO 0.44 0.11 0.00 0.87 -0.21 0.00 0.00 178.00 179.21 1c7m h LYS 70 N 0.17 0.00 -0.15 1.05 1.57 -1.88 -1.47 116.57 115.86 1c7m h LYS 70 Ca 0.20 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.86 1c7m h LYS 70 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1c7m h LYS 70 CO -0.29 0.00 -0.38 0.00 -0.57 0.00 0.00 179.45 178.21 1c7m h ALA 71 N 2.05 0.24 0.00 3.86 0.00 -1.85 -3.12 119.26 120.45 1c7m h ALA 71 Ca 0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1c7m h ALA 71 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1c7m h ALA 71 CO 0.00 0.33 -0.19 0.28 0.00 0.00 0.00 179.25 179.67 1c7m h VAL 72 N 0.14 1.59 -3.46 0.00 2.07 -1.52 -3.40 116.25 111.66 1c7m h VAL 72 Ca -0.01 -1.99 -0.70 0.00 0.82 0.00 0.00 66.70 64.83 1c7m h VAL 72 Cb 0.99 2.87 -0.34 0.00 -1.52 0.00 0.00 31.29 33.30 1c7m h VAL 72 CO 0.08 0.54 -0.48 -0.69 0.02 0.00 0.00 177.57 177.04 1c7m s VAL 73 N -3.00 3.56 -0.37 2.57 1.01 -0.56 -5.08 120.40 118.54 1c7m s VAL 73 Ca -0.16 -2.18 -0.29 0.00 0.00 0.00 0.00 61.98 59.35 1c7m s VAL 73 Cb 0.00 -3.40 -0.00 0.00 0.00 0.00 0.00 36.38 32.98 1c7m s VAL 73 CO 0.73 -0.75 1.55 -0.54 0.00 0.00 0.00 175.10 176.09 1c7m s LYS 74 N 0.95 3.52 0.00 2.72 1.02 -1.18 -2.37 119.74 124.40 1c7m s LYS 74 Ca 0.10 1.16 0.00 0.00 0.02 0.00 0.00 55.97 57.25 1c7m s LYS 74 Cb -0.23 -4.08 0.00 0.00 -0.52 0.00 0.00 37.83 33.00 1c7m s LYS 74 CO -0.03 -1.63 0.00 0.41 -0.92 0.00 0.00 175.35 173.17 1c7m n GLY 75 N 5.15 0.97 3.74 -3.33 0.00 -1.26 -4.75 105.19 105.71 1c7m n GLY 75 Ca 0.19 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.60 4.08 -1.84 2.61 -1.32 -1.00 -4.54 115.64 111.04 1c7m s THR 76 Ca 0.00 1.78 0.00 0.00 -1.21 0.00 0.00 61.69 62.26 1c7m s THR 76 Cb 0.00 -4.14 0.00 0.00 -1.51 0.00 0.00 72.50 66.85 1c7m s THR 76 CO 0.00 0.30 0.40 0.29 -2.21 0.00 0.00 174.62 173.40 1c7m n LYS 77 N 2.48 0.44 -2.82 7.08 5.02 -1.26 -4.74 118.16 124.35 1c7m n LYS 77 Ca 0.02 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.89 1c7m n LYS 77 Cb 0.47 -1.04 -0.04 0.00 -0.02 0.00 0.00 35.03 34.41 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 -1.84 3.22 -1.48 1.97 1.75 -1.26 -4.97 119.30 116.70 1c7m s MET 78 Ca 0.00 -0.51 -0.13 0.00 -1.25 0.00 0.00 55.69 53.80 1c7m s MET 78 Cb 0.00 -4.14 0.02 0.00 2.84 0.00 0.00 34.83 33.56 1c7m s MET 78 CO 0.00 -1.68 2.33 0.00 -0.65 0.00 0.00 175.02 175.02 1c7m n ALA 79 N 7.73 5.87 -3.52 4.11 0.00 -1.26 -4.86 120.51 128.57 1c7m n ALA 79 Ca -0.01 -3.84 -0.29 0.00 0.00 0.00 0.00 53.44 49.30 1c7m n ALA 79 Cb 0.47 -3.49 -0.17 0.00 0.00 0.00 0.00 19.45 16.26 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 2.91 2.04 -1.04 0.00 5.36 -1.26 -5.05 117.98 120.95 1c7m s PHE 80 Ca 0.50 -0.90 0.25 0.00 -0.96 0.00 0.00 56.93 55.82 1c7m s PHE 80 Cb 0.15 -1.44 1.08 0.00 -0.34 0.00 0.00 43.02 42.47 1c7m s PHE 80 CO -0.08 -0.43 1.80 0.00 -1.46 0.00 0.00 175.22 175.05 1c7m n ALA 81 N 3.96 2.15 0.00 11.12 0.00 -1.26 -4.66 120.51 131.82 1c7m n ALA 81 Ca -0.20 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1c7m n ALA 81 Cb 0.52 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1c7m n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c7m n GLY 82 N 1.05 2.48 3.73 0.00 0.00 -1.26 -4.88 105.19 106.32 1c7m n GLY 82 Ca 0.07 -1.70 -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 4.40 -0.16 0.99 1.43 0.70 -4.92 118.68 121.12 1c7m s LEU 83 Ca 0.00 1.39 -0.25 0.00 -1.03 0.00 0.00 54.13 54.24 1c7m s LEU 83 Cb 0.00 -3.23 -0.22 0.00 0.03 0.00 0.00 46.19 42.77 1c7m s LEU 83 CO 0.00 -0.06 0.56 1.55 0.23 0.00 0.00 176.35 178.63 1c7m h PRO 84 N 6.15 0.00 -6.85 1.29 0.13 -1.95 -3.40 132.00 127.38 1c7m h PRO 84 Ca -0.43 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.23 1c7m h PRO 84 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1c7m h PRO 84 CO 0.73 0.93 0.30 0.15 -0.23 0.00 0.00 178.00 179.87 1c7m s LYS 85 N -2.22 4.46 0.44 0.86 1.02 -1.26 -4.99 119.74 118.04 1c7m s LYS 85 Ca -0.21 1.20 0.09 0.00 0.02 0.00 0.00 55.97 57.08 1c7m s LYS 85 Cb -0.00 -2.71 0.97 0.00 -0.52 0.00 0.00 37.83 35.56 1c7m s LYS 85 CO 0.62 0.25 2.08 0.97 -0.92 0.00 0.00 175.35 178.35 1c7m h ILE 86 N 2.51 1.07 -0.77 2.17 6.09 -1.98 -2.71 117.51 123.89 1c7m h ILE 86 Ca -0.47 -0.14 0.04 0.00 -1.37 0.00 0.00 64.86 62.91 1c7m h ILE 86 Cb 1.19 0.63 -0.04 0.00 0.47 0.00 0.00 36.82 39.06 1c7m h ILE 86 CO 0.64 0.08 0.51 -0.33 -3.07 0.00 0.00 178.15 175.98 1c7m h GLU 87 N 0.41 0.91 0.52 2.19 3.07 -1.94 -2.19 114.58 117.55 1c7m h GLU 87 Ca 0.11 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.89 1c7m h GLU 87 Cb -0.04 -0.20 0.01 0.00 -0.84 0.00 0.00 28.75 27.67 1c7m h GLU 87 CO -0.02 0.60 -0.25 -0.44 -1.40 0.00 0.00 179.01 177.49 1c7m h ASP 88 N 0.93 -0.59 -0.57 1.42 3.32 -1.88 -1.26 116.42 117.79 1c7m h ASP 88 Ca 0.31 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 1c7m h ASP 88 Cb 0.07 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1c7m h ASP 88 CO -0.09 -0.28 0.25 0.08 -1.72 0.00 0.00 179.24 177.47 1c7m h ARG 89 N -0.92 0.84 -0.35 3.56 -0.00 -1.66 -2.03 114.38 113.82 1c7m h ARG 89 Ca -0.07 -0.14 0.05 0.00 -0.00 0.00 0.00 59.98 59.82 1c7m h ARG 89 Cb 0.61 -0.14 -0.05 0.00 -0.00 0.00 0.00 29.97 30.39 1c7m h ARG 89 CO 0.12 0.71 0.06 0.00 -0.00 0.00 0.00 179.97 180.85 1c7m h ALA 90 N 1.09 0.36 -0.60 0.08 0.00 -1.46 0.41 119.26 119.15 1c7m h ALA 90 Ca 0.19 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1c7m h ALA 90 Cb 0.17 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1c7m h ALA 90 CO -0.02 -0.34 0.29 -0.91 0.00 0.00 0.00 179.25 178.26 1c7m h ASN 91 N 0.18 0.78 -0.18 0.00 2.35 -0.99 -1.31 115.58 116.41 1c7m h ASN 91 Ca 0.17 -0.13 0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1c7m h ASN 91 Cb 0.19 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 1c7m h ASN 91 CO -0.23 0.69 -0.05 0.25 -1.65 0.00 0.00 177.43 176.45 1c7m h LEU 92 N 0.82 -0.17 -0.40 1.61 7.12 -1.30 -1.22 115.31 121.77 1c7m h LEU 92 Ca 0.21 0.05 0.03 0.00 0.13 0.00 0.00 57.88 58.30 1c7m h LEU 92 Cb 0.12 0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 40.33 1c7m h LEU 92 CO -0.03 -0.06 0.20 0.40 -0.13 0.00 0.00 178.44 178.83 1c7m h ILE 93 N -0.00 0.98 -0.91 4.05 2.04 -0.84 -1.75 117.51 121.07 1c7m h ILE 93 Ca 0.09 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.85 1c7m h ILE 93 Cb 0.13 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.69 1c7m h ILE 93 CO -0.18 0.08 0.59 0.00 0.00 0.00 0.00 178.15 178.63 1c7m h ALA 94 N 1.21 1.22 0.45 1.87 0.00 -1.25 -0.93 119.26 121.83 1c7m h ALA 94 Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1c7m h ALA 94 Cb 0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1c7m h ALA 94 CO -0.11 0.41 -0.51 -0.92 0.00 0.00 0.00 179.25 178.12 1c7m h TYR 95 N 1.11 -1.42 -0.37 0.00 3.20 -0.94 -3.31 116.97 115.24 1c7m h TYR 95 Ca 0.37 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.26 1c7m h TYR 95 Cb 0.06 0.56 0.00 0.00 1.54 0.00 0.00 36.73 38.89 1c7m h TYR 95 CO -0.02 -0.66 0.00 1.47 -1.64 0.00 0.00 178.16 177.31 1c7m n LEU 96 N -5.50 2.97 -0.19 2.82 -0.00 -0.68 -1.91 117.00 114.50 1c7m n LEU 96 Ca -0.12 -1.50 -0.06 0.00 -0.00 0.00 0.00 56.01 54.34 1c7m n LEU 96 Cb 0.45 -0.45 0.10 0.00 -0.00 0.00 0.00 43.42 43.53 1c7m n LEU 96 CO 0.25 0.51 0.93 -0.33 -0.00 0.00 0.00 177.39 178.75 1c7m h GLU 97 N 2.35 0.99 -0.00 1.47 5.08 -1.25 -3.37 114.58 119.85 1c7m h GLU 97 Ca 0.00 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1c7m h GLU 97 Cb 0.95 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1c7m h GLU 97 CO 0.14 0.90 -0.00 0.78 -1.00 0.00 0.00 179.01 179.84 1c7m h GLY 98 N 1.03 0.01 -5.61 -3.84 0.00 -1.47 -3.43 103.07 89.76 1c7m h GLY 98 Ca 0.19 -0.01 -0.57 0.00 0.00 0.00 0.00 47.33 46.95 1c7m h GLY 98 CO 0.01 0.01 0.91 -0.86 0.00 0.00 0.00 176.54 176.60 1c7m s GLN 99 N -4.74 4.06 0.00 4.80 -2.07 -1.22 -5.02 119.66 115.47 1c7m s GLN 99 Ca -0.15 1.32 0.00 0.00 -1.82 0.00 0.00 55.36 54.71 1c7m s GLN 99 Cb 0.03 -3.80 0.00 0.00 -1.09 0.00 0.00 33.01 28.15 1c7m s GLN 99 CO 0.67 -0.92 0.18 1.04 -1.32 0.00 0.00 175.29 174.94