#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6e s ALA 2 N 0.00 1.35 -0.30 -5.12 0.00 -1.26 -4.14 121.76 112.30 1i6e s ALA 2 Ca 0.00 -2.27 -0.13 0.00 0.00 0.00 0.00 51.96 49.56 1i6e s ALA 2 Cb 0.00 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 1i6e s ALA 2 CO 0.00 -2.04 0.30 0.34 0.00 0.00 0.00 175.76 174.35 1i6e s ASP 3 N 0.45 6.14 0.30 0.00 -1.08 -1.26 -4.81 116.67 116.41 1i6e s ASP 3 Ca 0.25 0.01 0.07 0.00 -0.52 0.00 0.00 52.55 52.36 1i6e s ASP 3 Cb -0.10 -2.17 0.45 0.00 -1.46 0.00 0.00 42.92 39.64 1i6e s ASP 3 CO -0.09 -0.18 1.69 1.55 0.52 0.00 0.00 175.17 178.66 1i6e h PRO 4 N 8.33 0.21 -0.12 4.34 0.13 -1.85 -2.05 132.00 140.99 1i6e h PRO 4 Ca -0.32 -0.10 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1i6e h PRO 4 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1i6e h PRO 4 CO 0.62 0.61 0.06 0.00 -0.23 0.00 0.00 178.00 179.06 1i6e h ALA 5 N 1.38 0.15 -0.42 -0.56 0.00 -1.96 -2.72 119.26 115.14 1i6e h ALA 5 Ca 0.01 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1i6e h ALA 5 Cb 0.84 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1i6e h ALA 5 CO 0.07 -0.31 0.28 0.00 0.00 0.00 0.00 179.25 179.28 1i6e h ALA 6 N 0.96 1.79 -0.49 0.00 0.00 -1.92 -2.95 119.26 116.66 1i6e h ALA 6 Ca 0.04 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1i6e h ALA 6 Cb 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1i6e h ALA 6 CO -0.01 0.17 0.33 0.78 0.00 0.00 0.00 179.25 180.53 1i6e h GLY 7 N 0.49 0.47 1.05 0.00 0.00 -1.20 -2.41 103.07 101.46 1i6e h GLY 7 Ca 0.16 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 1i6e h GLY 7 CO -0.04 0.11 0.08 -2.09 0.00 0.00 0.00 176.54 174.60 1i6e h GLU 8 N 0.36 1.02 -0.80 4.80 4.81 -1.30 -0.59 114.58 122.89 1i6e h GLU 8 Ca 0.22 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1i6e h GLU 8 Cb 0.39 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 1i6e h GLU 8 CO -0.05 0.97 0.43 1.57 -0.73 0.00 0.00 179.01 181.20 1i6e h LYS 9 N 0.93 1.12 -0.71 1.92 2.10 -1.59 -3.11 116.57 117.23 1i6e h LYS 9 Ca 0.18 -0.14 -0.01 0.00 -2.00 0.00 0.00 60.65 58.69 1i6e h LYS 9 Cb 0.46 -0.22 -0.03 0.00 -0.90 0.00 0.00 32.23 31.54 1i6e h LYS 9 CO 0.02 0.83 0.41 0.28 -2.00 0.00 0.00 179.45 178.99 1i6e h VAL 10 N 1.11 1.20 0.00 0.07 2.07 -1.38 -2.31 116.25 117.01 1i6e h VAL 10 Ca 0.28 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1i6e h VAL 10 Cb 0.04 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1i6e h VAL 10 CO -0.04 0.22 0.24 0.15 0.02 0.00 0.00 177.57 178.15 1i6e h PHE 11 N 0.98 0.00 -1.09 1.57 3.57 -1.03 -2.45 116.94 118.50 1i6e h PHE 11 Ca 0.25 0.00 0.34 0.00 3.53 0.00 0.00 57.97 62.09 1i6e h PHE 11 Cb -0.02 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 38.59 1i6e h PHE 11 CO 0.00 0.00 0.66 0.78 -2.23 0.00 0.00 178.31 177.52 1i6e h GLY 12 N 0.00 1.71 1.86 2.40 0.00 -1.44 0.38 103.07 107.98 1i6e h GLY 12 Ca 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 1i6e h GLY 12 CO 0.00 -0.39 -0.20 0.50 0.00 0.00 0.00 176.54 176.45 1i6e h LYS 13 N 0.29 0.17 0.07 4.80 1.57 -1.65 -3.35 116.57 118.46 1i6e h LYS 13 Ca 0.72 -0.04 -0.31 0.00 -1.87 0.00 0.00 60.65 59.15 1i6e h LYS 13 Cb 1.84 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 34.10 1i6e h LYS 13 CO -0.49 0.37 -1.67 0.00 -0.57 0.00 0.00 179.45 177.08 1i6e h LYS 15 N 0.04 0.49 -0.67 0.00 2.10 -1.12 -1.29 116.57 116.12 1i6e h LYS 15 Ca -0.29 -0.03 0.05 0.00 -2.00 0.00 0.00 60.65 58.38 1i6e h LYS 15 Cb 2.00 -0.11 -0.04 0.00 -0.90 0.00 0.00 32.23 33.18 1i6e h LYS 15 CO 0.11 0.32 0.44 0.00 -2.00 0.00 0.00 179.45 178.33 1i6e h ALA 16 N 1.68 1.69 0.08 0.07 0.00 -1.84 -3.28 119.26 117.66 1i6e h ALA 16 Ca 0.28 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.83 1i6e h ALA 16 Cb 0.44 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1i6e h ALA 16 CO -0.08 0.22 -1.87 0.00 0.00 0.00 0.00 179.25 177.52 1i6e s HIS 18 N -2.51 2.96 -0.01 0.00 3.76 -0.52 -1.16 115.29 117.81 1i6e s HIS 18 Ca -0.25 -0.17 -0.03 0.00 -0.15 0.00 0.00 55.06 54.46 1i6e s HIS 18 Cb 0.07 -1.82 -0.04 0.00 1.11 0.00 0.00 32.58 31.90 1i6e s HIS 18 CO 0.70 0.14 0.18 0.15 -0.85 0.00 0.00 174.74 175.06 1i6e s LYS 19 N -0.25 3.42 0.00 1.40 1.02 -1.26 -4.22 119.74 119.85 1i6e s LYS 19 Ca 0.03 -0.33 0.21 0.00 0.02 0.00 0.00 55.97 55.90 1i6e s LYS 19 Cb -0.13 -3.08 0.54 0.00 -0.52 0.00 0.00 37.83 34.64 1i6e s LYS 19 CO 0.03 0.67 1.45 1.28 -0.92 0.00 0.00 175.35 177.86 1i6e n LEU 20 N 0.95 2.74 0.04 3.17 4.77 -1.26 -1.44 117.00 125.98 1i6e n LEU 20 Ca -0.11 -1.22 -0.20 0.00 -0.03 0.00 0.00 56.01 54.45 1i6e n LEU 20 Cb 0.53 -0.23 -0.11 0.00 -2.33 0.00 0.00 43.42 41.28 1i6e n LEU 20 CO 0.44 0.61 0.07 -0.78 -1.33 0.00 0.00 177.39 176.40 1i6e h ASP 21 N 3.42 0.88 0.00 -1.43 3.58 -1.99 -3.42 116.42 117.46 1i6e h ASP 21 Ca 0.00 -0.75 0.00 0.00 0.42 0.00 0.00 57.03 56.70 1i6e h ASP 21 Cb 0.76 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1i6e h ASP 21 CO 0.00 1.52 0.00 0.61 -2.88 0.00 0.00 179.24 178.49 1i6e n GLY 22 N 1.12 3.62 3.80 -0.78 0.00 -1.26 -5.08 105.19 106.61 1i6e n GLY 22 Ca -0.11 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 1i6e n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i6e s ASN 23 N -0.06 5.81 0.14 1.61 0.01 -1.26 -4.74 114.94 116.44 1i6e s ASN 23 Ca 0.00 1.87 -0.13 0.00 -0.71 0.00 0.00 52.86 53.89 1i6e s ASN 23 Cb 0.00 -2.54 -0.07 0.00 0.41 0.00 0.00 41.25 39.05 1i6e s ASN 23 CO 0.00 -1.15 0.52 -1.81 -1.51 0.00 0.00 177.10 173.15 1i6e s ASP 24 N -2.58 6.76 0.00 -1.22 1.01 -1.26 -4.19 116.67 115.19 1i6e s ASP 24 Ca 0.65 0.99 0.00 0.00 0.71 0.00 0.00 52.55 54.90 1i6e s ASP 24 Cb -0.17 -2.26 0.00 0.00 1.01 0.00 0.00 42.92 41.51 1i6e s ASP 24 CO 0.34 0.10 0.00 0.61 0.21 0.00 0.00 175.17 176.43 1i6e n GLY 25 N 0.72 0.71 0.08 0.21 0.00 -1.26 -4.99 105.19 100.66 1i6e n GLY 25 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 1i6e n GLY 25 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1i6e h VAL 26 N 0.00 1.66 -2.05 1.61 2.07 -1.43 -3.47 116.25 114.65 1i6e h VAL 26 Ca 0.00 -2.24 -0.45 0.00 0.82 0.00 0.00 66.70 64.83 1i6e h VAL 26 Cb 0.00 3.15 0.05 0.00 -1.52 0.00 0.00 31.29 32.98 1i6e h VAL 26 CO 0.00 0.60 -0.01 -0.83 0.02 0.00 0.00 177.57 177.35 1i6e s GLY 27 N -4.14 1.80 1.09 2.17 0.00 -0.77 -5.02 107.32 102.45 1i6e s GLY 27 Ca -0.17 -1.61 -0.15 0.00 0.00 0.00 0.00 44.72 42.79 1i6e s GLY 27 CO 0.73 -1.21 1.10 2.56 0.00 0.00 0.00 173.10 176.28 1i6e s PRO 28 N -4.85 -0.35 0.08 2.90 0.04 -1.26 -4.62 135.00 126.94 1i6e s PRO 28 Ca 0.61 0.26 -0.31 0.00 0.04 0.00 0.00 61.00 61.60 1i6e s PRO 28 Cb -0.08 -1.67 -0.08 0.00 0.04 0.00 0.00 34.50 32.71 1i6e s PRO 28 CO 0.40 -3.20 1.59 -3.38 0.04 0.00 0.00 177.00 172.45 1i6e s HIS 29 N -2.97 2.64 -2.56 0.56 -3.43 -1.26 -4.10 115.29 104.17 1i6e s HIS 29 Ca 0.68 0.48 0.26 0.00 -0.80 0.00 0.00 55.06 55.67 1i6e s HIS 29 Cb -0.15 -3.90 0.79 0.00 -1.43 0.00 0.00 32.58 27.89 1i6e s HIS 29 CO 0.57 -3.51 1.59 1.28 -2.00 0.00 0.00 174.74 172.68 1i6e n LEU 30 N 5.19 1.94 -4.69 5.38 4.77 -0.52 -4.83 117.00 124.25 1i6e n LEU 30 Ca 0.15 -0.69 -0.42 0.00 -0.03 0.00 0.00 56.01 55.02 1i6e n LEU 30 Cb 0.41 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1i6e n LEU 30 CO 0.62 0.35 1.31 0.54 -1.33 0.00 0.00 177.39 178.88 1i6e s ASN 31 N -1.89 6.61 -0.50 -1.43 2.20 -1.26 -3.74 114.94 114.94 1i6e s ASN 31 Ca 0.35 2.48 -0.01 0.00 -0.94 0.00 0.00 52.86 54.74 1i6e s ASN 31 Cb 0.20 -2.56 0.00 0.00 -2.00 0.00 0.00 41.25 36.89 1i6e s ASN 31 CO 0.31 -0.88 0.42 0.61 -2.94 0.00 0.00 177.10 174.63 1i6e n GLY 32 N 3.97 0.19 0.09 0.45 0.00 -0.62 -4.94 105.19 104.32 1i6e n GLY 32 Ca 0.16 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 1i6e n GLY 32 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1i6e n VAL 33 N -2.61 1.20 -2.62 1.61 3.14 -1.25 -4.55 118.33 113.26 1i6e n VAL 33 Ca -0.08 -0.80 -0.42 0.00 -2.96 0.00 0.00 64.34 60.08 1i6e n VAL 33 Cb 0.56 -0.43 -0.03 0.00 -1.06 0.00 0.00 33.84 32.87 1i6e n VAL 33 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1i6e s VAL 34 N -2.66 4.03 0.00 1.55 1.01 -1.26 -1.49 120.40 121.58 1i6e s VAL 34 Ca -0.09 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1i6e s VAL 34 Cb 0.07 -4.73 0.00 0.00 0.00 0.00 0.00 36.38 31.73 1i6e s VAL 34 CO 0.84 -1.38 0.00 0.61 0.00 0.00 0.00 175.10 175.17 1i6e n GLY 35 N 5.12 1.22 3.78 4.51 0.00 -0.11 -4.99 105.19 114.72 1i6e n GLY 35 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1i6e n GLY 35 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i6e s ARG 36 N -0.97 4.08 0.37 1.61 3.52 -0.56 -4.61 118.95 122.40 1i6e s ARG 36 Ca 0.00 1.54 -0.26 0.00 -0.13 0.00 0.00 55.73 56.87 1i6e s ARG 36 Cb 0.00 -2.49 -0.11 0.00 -1.56 0.00 0.00 34.95 30.79 1i6e s ARG 36 CO 0.00 -0.22 1.19 2.41 -0.81 0.00 0.00 175.30 177.86 1i6e n THR 37 N -0.20 2.26 -2.06 4.11 -1.04 -1.26 -0.39 114.28 115.69 1i6e n THR 37 Ca 0.06 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.14 1i6e n THR 37 Cb 0.50 -1.40 -0.03 0.00 -1.82 0.00 0.00 70.33 67.58 1i6e n THR 37 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1i6e s VAL 38 N -1.16 3.62 -0.61 12.58 1.01 -0.72 -2.02 120.40 133.10 1i6e s VAL 38 Ca 0.59 0.69 -0.03 0.00 0.00 0.00 0.00 61.98 63.23 1i6e s VAL 38 Cb -0.57 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1i6e s VAL 38 CO 0.60 -0.27 0.54 0.00 0.00 0.00 0.00 175.10 175.97 1i6e n ALA 39 N 8.64 -1.82 -0.01 5.51 0.00 -1.26 -4.38 120.51 127.19 1i6e n ALA 39 Ca 0.20 0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.76 1i6e n ALA 39 Cb 0.45 -3.15 -0.10 0.00 0.00 0.00 0.00 19.45 16.64 1i6e n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i6e n GLY 40 N -1.37 -0.61 3.54 0.00 0.00 -0.86 -4.91 105.19 100.99 1i6e n GLY 40 Ca -0.03 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1i6e n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i6e s VAL 41 N -2.86 3.93 -0.56 1.61 1.01 -1.26 -4.92 120.40 117.34 1i6e s VAL 41 Ca -0.05 0.36 -0.27 0.00 0.00 0.00 0.00 61.98 62.02 1i6e s VAL 41 Cb 0.08 -4.82 -0.02 0.00 0.00 0.00 0.00 36.38 31.63 1i6e s VAL 41 CO 0.55 -1.64 1.80 -1.81 0.00 0.00 0.00 175.10 174.00 1i6e s ASP 42 N 3.52 5.46 0.00 3.32 1.01 -1.26 -1.78 116.67 126.94 1i6e s ASP 42 Ca 0.34 0.47 0.00 0.00 0.71 0.00 0.00 52.55 54.07 1i6e s ASP 42 Cb -0.10 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.30 1i6e s ASP 42 CO 0.16 -2.20 0.00 0.61 0.21 0.00 0.00 175.17 173.95 1i6e n GLY 43 N 5.61 3.75 3.68 0.21 0.00 -1.26 -5.11 105.19 112.07 1i6e n GLY 43 Ca 0.20 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 1i6e n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i6e s PHE 44 N 0.00 3.45 -0.28 1.61 5.36 -0.74 -5.06 117.98 122.32 1i6e s PHE 44 Ca 0.00 1.19 -0.28 0.00 -0.96 0.00 0.00 56.93 56.88 1i6e s PHE 44 Cb 0.00 -2.93 0.01 0.00 -0.34 0.00 0.00 43.02 39.76 1i6e s PHE 44 CO 0.00 -0.16 1.03 1.21 -1.46 0.00 0.00 175.22 175.84 1i6e s ASN 45 N 1.10 6.98 0.67 6.13 2.47 -1.26 -4.83 114.94 126.20 1i6e s ASN 45 Ca 0.36 1.17 -0.03 0.00 0.42 0.00 0.00 52.86 54.79 1i6e s ASN 45 Cb -0.17 -2.53 0.08 0.00 -1.45 0.00 0.00 41.25 37.18 1i6e s ASN 45 CO 0.13 -0.76 0.94 -0.31 -3.72 0.00 0.00 177.10 173.38 1i6e s TYR 46 N 3.38 2.46 0.60 0.43 1.51 -1.26 -5.10 117.35 119.37 1i6e s TYR 46 Ca 0.44 0.07 -0.17 0.00 -1.01 0.00 0.00 57.07 56.40 1i6e s TYR 46 Cb -0.14 -3.03 -0.03 0.00 -0.11 0.00 0.00 41.96 38.66 1i6e s TYR 46 CO 0.11 -1.36 1.11 0.45 -1.11 0.00 0.00 175.55 174.75 1i6e s SER 47 N -4.56 5.47 0.18 2.29 0.15 -1.26 -4.86 113.70 111.11 1i6e s SER 47 Ca 0.61 2.04 -0.13 0.00 0.70 0.00 0.00 55.95 59.17 1i6e s SER 47 Cb -0.09 -2.56 0.13 0.00 -1.71 0.00 0.00 66.02 61.80 1i6e s SER 47 CO 0.43 -1.38 1.79 -0.78 1.20 0.00 0.00 173.24 174.50 1i6e h ASP 48 N 0.58 0.41 0.44 5.45 1.82 -1.99 -0.50 116.42 122.61 1i6e h ASP 48 Ca -0.48 0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.13 1i6e h ASP 48 Cb 1.25 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 41.19 1i6e h ASP 48 CO 0.56 0.28 -0.23 1.55 -1.61 0.00 0.00 179.24 179.79 1i6e h PRO 49 N 0.53 0.00 -0.16 0.28 0.13 -1.86 -0.88 132.00 130.05 1i6e h PRO 49 Ca 0.22 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.34 1i6e h PRO 49 Cb 0.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.23 1i6e h PRO 49 CO -0.14 0.23 0.05 1.98 -0.23 0.00 0.00 178.00 179.88 1i6e h MET 50 N 0.00 0.25 -0.64 0.86 -1.53 -1.76 -2.07 114.93 110.04 1i6e h MET 50 Ca -0.00 -0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.20 1i6e h MET 50 Cb 0.51 -0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.49 1i6e h MET 50 CO 0.03 0.38 0.40 0.87 0.14 0.00 0.00 176.91 178.73 1i6e h LYS 51 N 0.07 0.85 0.00 0.39 1.57 -1.08 -3.15 116.57 115.23 1i6e h LYS 51 Ca 0.05 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1i6e h LYS 51 Cb 0.24 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1i6e h LYS 51 CO -0.00 0.59 0.00 0.00 -0.57 0.00 0.00 179.45 179.47 1i6e n ALA 52 N -2.29 1.75 0.24 3.86 0.00 -0.34 -4.21 120.51 119.53 1i6e n ALA 52 Ca 0.05 0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.42 1i6e n ALA 52 Cb 0.04 -1.41 -0.08 0.00 0.00 0.00 0.00 19.45 18.00 1i6e n ALA 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1i6e h HIS 53 N 0.00 -0.58 -0.15 0.00 6.17 -1.32 -3.50 115.15 115.76 1i6e h HIS 53 Ca 0.00 -0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.08 1i6e h HIS 53 Cb 0.43 0.19 -0.00 0.00 2.52 0.00 0.00 27.41 30.55 1i6e h HIS 53 CO 0.00 -0.27 -0.02 0.41 0.71 0.00 0.00 177.93 178.76 1i6e n GLY 54 N -0.63 -2.25 7.00 5.26 0.00 -1.26 -5.07 105.19 108.23 1i6e n GLY 54 Ca -0.11 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1i6e n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i6e n GLY 55 N -1.13 -0.08 3.16 -0.02 0.00 -1.26 -4.52 105.19 101.34 1i6e n GLY 55 Ca 0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.88 1i6e n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i6e s ASP 56 N -4.00 1.32 -1.26 1.61 1.01 -1.26 -1.75 116.67 112.34 1i6e s ASP 56 Ca 0.00 -0.80 -0.19 0.00 0.71 0.00 0.00 52.55 52.27 1i6e s ASP 56 Cb 0.00 0.03 0.01 0.00 1.01 0.00 0.00 42.92 43.97 1i6e s ASP 56 CO 0.00 -0.28 1.86 0.79 0.21 0.00 0.00 175.17 177.75 1i6e n TRP 57 N 0.60 3.87 -1.61 4.23 7.02 0.48 -4.80 117.44 127.22 1i6e n TRP 57 Ca -0.16 -2.44 -0.31 0.00 -1.02 0.00 0.00 57.50 53.56 1i6e n TRP 57 Cb 0.58 -2.57 0.04 0.00 -2.42 0.00 0.00 31.31 26.94 1i6e n TRP 57 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1i6e s THR 58 N 5.90 4.09 0.55 -0.99 -4.23 -1.26 -0.94 115.64 118.76 1i6e s THR 58 Ca 0.57 0.69 0.23 0.00 -1.18 0.00 0.00 61.69 61.99 1i6e s THR 58 Cb 0.05 -3.45 0.32 0.00 1.34 0.00 0.00 72.50 70.76 1i6e s THR 58 CO 0.08 -0.88 2.16 1.55 -0.54 0.00 0.00 174.62 176.99 1i6e h PRO 59 N -0.65 0.00 0.23 3.99 0.13 -1.97 0.02 132.00 133.75 1i6e h PRO 59 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1i6e h PRO 59 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1i6e h PRO 59 CO 0.57 0.00 -0.11 1.49 -0.23 0.00 0.00 178.00 179.72 1i6e h GLU 60 N 0.00 -0.30 -0.71 0.86 4.81 -1.99 -2.90 114.58 114.35 1i6e h GLU 60 Ca 0.03 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1i6e h GLU 60 Cb 0.16 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 1i6e h GLU 60 CO -0.00 0.03 0.44 0.00 -0.73 0.00 0.00 179.01 178.75 1i6e h ALA 61 N -0.01 0.93 0.04 2.92 0.00 -1.81 -2.56 119.26 118.77 1i6e h ALA 61 Ca -0.03 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1i6e h ALA 61 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1i6e h ALA 61 CO 0.05 0.20 -0.07 -0.07 0.00 0.00 0.00 179.25 179.36 1i6e h LEU 62 N 0.85 -0.20 -1.46 0.00 3.38 -1.15 -1.69 115.31 115.04 1i6e h LEU 62 Ca 0.29 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 1i6e h LEU 62 Cb 0.04 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1i6e h LEU 62 CO -0.12 -0.11 0.03 0.06 0.09 0.00 0.00 178.44 178.39 1i6e h GLN 63 N -0.14 0.38 0.36 1.13 3.07 -1.47 0.17 115.11 118.60 1i6e h GLN 63 Ca 0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 58.65 58.68 1i6e h GLN 63 Cb 0.16 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 27.66 1i6e h GLN 63 CO -0.05 0.38 -0.18 0.93 0.09 0.00 0.00 178.83 180.01 1i6e h GLU 64 N 0.37 -0.47 -0.72 0.06 4.39 -1.48 -1.79 114.58 114.95 1i6e h GLU 64 Ca 0.09 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 1i6e h GLU 64 Cb 0.21 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1i6e h GLU 64 CO 0.00 -0.21 0.45 0.35 -1.16 0.00 0.00 179.01 178.44 1i6e h PHE 65 N -0.68 0.93 0.00 4.33 3.57 -1.18 -1.58 116.94 122.33 1i6e h PHE 65 Ca -0.05 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1i6e h PHE 65 Cb 0.48 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1i6e h PHE 65 CO -0.01 0.62 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.60 1i6e h LEU 66 N 0.98 0.00 0.51 0.59 3.38 -0.78 -2.01 115.31 117.98 1i6e h LEU 66 Ca 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1i6e h LEU 66 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1i6e h LEU 66 CO -0.05 0.03 -0.24 0.74 0.09 0.00 0.00 178.44 179.00 1i6e h THR 67 N 0.00 0.00 -3.08 0.22 2.02 -1.11 0.17 112.91 111.13 1i6e h THR 67 Ca -0.00 -0.18 -0.55 0.00 0.77 0.00 0.00 66.41 66.44 1i6e h THR 67 Cb 0.60 0.00 -0.40 0.00 -1.74 0.00 0.00 68.15 66.61 1i6e h THR 67 CO 0.00 0.00 -0.76 0.20 0.37 0.00 0.00 175.52 175.33 1i6e s ASN 68 N -3.73 3.65 -0.09 4.18 0.01 -0.61 -4.00 114.94 114.35 1i6e s ASN 68 Ca -0.10 -1.36 -0.26 0.00 -0.71 0.00 0.00 52.86 50.42 1i6e s ASN 68 Cb 0.01 -0.67 -0.22 0.00 0.41 0.00 0.00 41.25 40.78 1i6e s ASN 68 CO 0.30 -0.40 0.94 1.55 -1.51 0.00 0.00 177.10 177.98 1i6e h PRO 69 N 8.21 -0.02 0.00 -0.60 0.13 -1.60 -2.87 132.00 135.24 1i6e h PRO 69 Ca -0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.97 1i6e h PRO 69 Cb 1.04 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 1i6e h PRO 69 CO 0.43 0.70 -0.03 0.87 -0.23 0.00 0.00 178.00 179.74 1i6e h LYS 70 N -0.80 0.00 -0.23 0.86 1.57 -1.87 -0.62 116.57 115.48 1i6e h LYS 70 Ca -0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1i6e h LYS 70 Cb 0.73 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 1i6e h LYS 70 CO 0.00 0.03 -0.40 0.00 -0.57 0.00 0.00 179.45 178.52 1i6e h ALA 71 N 1.97 0.36 0.31 3.86 0.00 -1.98 -3.24 119.26 120.55 1i6e h ALA 71 Ca -0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1i6e h ALA 71 Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1i6e h ALA 71 CO 0.00 0.46 -0.15 0.28 0.00 0.00 0.00 179.25 179.85 1i6e h VAL 72 N 0.40 0.45 -3.38 0.00 2.07 -1.42 -3.40 116.25 110.97 1i6e h VAL 72 Ca 0.02 -0.79 -0.74 0.00 0.82 0.00 0.00 66.70 66.01 1i6e h VAL 72 Cb 0.99 0.73 -0.29 0.00 -1.52 0.00 0.00 31.29 31.20 1i6e h VAL 72 CO 0.09 0.11 -0.29 -0.69 0.02 0.00 0.00 177.57 176.80 1i6e s VAL 73 N -3.65 4.49 -0.52 2.57 1.01 -0.25 -5.06 120.40 118.98 1i6e s VAL 73 Ca -0.11 -2.01 -0.28 0.00 0.00 0.00 0.00 61.98 59.59 1i6e s VAL 73 Cb 0.01 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.48 1i6e s VAL 73 CO 0.39 -0.84 1.60 -0.75 0.00 0.00 0.00 175.10 175.50 1i6e s LYS 74 N 1.03 3.15 0.00 2.72 2.20 -1.22 -2.37 119.74 125.25 1i6e s LYS 74 Ca 0.09 0.70 0.00 0.00 -0.36 0.00 0.00 55.97 56.40 1i6e s LYS 74 Cb -0.24 -4.20 0.00 0.00 -1.51 0.00 0.00 37.83 31.88 1i6e s LYS 74 CO -0.02 -2.11 0.00 0.41 -0.36 0.00 0.00 175.35 173.28 1i6e n GLY 75 N 5.39 1.06 3.75 5.54 0.00 -1.26 -4.78 105.19 114.89 1i6e n GLY 75 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1i6e n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i6e s THR 76 N -2.00 3.08 -2.00 2.61 -1.32 -1.00 -4.66 115.64 110.35 1i6e s THR 76 Ca 0.00 0.95 0.03 0.00 -1.21 0.00 0.00 61.69 61.46 1i6e s THR 76 Cb 0.00 -3.60 0.09 0.00 -1.51 0.00 0.00 72.50 67.47 1i6e s THR 76 CO 0.00 0.17 0.83 2.29 -2.21 0.00 0.00 174.62 175.70 1i6e n LYS 77 N 2.04 0.69 -2.27 7.08 2.85 -1.26 -4.75 118.16 122.54 1i6e n LYS 77 Ca 0.04 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.91 1i6e n LYS 77 Cb 0.43 -1.07 -0.03 0.00 -0.65 0.00 0.00 35.03 33.71 1i6e n LYS 77 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1i6e s MET 78 N -2.00 2.88 -1.44 -1.58 1.75 -1.26 -4.94 119.30 112.71 1i6e s MET 78 Ca 0.05 0.19 -0.14 0.00 -1.25 0.00 0.00 55.69 54.54 1i6e s MET 78 Cb 0.02 -4.33 0.05 0.00 2.84 0.00 0.00 34.83 33.41 1i6e s MET 78 CO 0.04 -2.49 2.18 0.00 -0.65 0.00 0.00 175.02 174.09 1i6e n ALA 79 N 11.27 5.35 -3.13 4.11 0.00 -1.26 -4.79 120.51 132.06 1i6e n ALA 79 Ca 0.14 -3.88 -0.22 0.00 0.00 0.00 0.00 53.44 49.47 1i6e n ALA 79 Cb 0.51 -3.54 -0.16 0.00 0.00 0.00 0.00 19.45 16.26 1i6e n ALA 79 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1i6e s PHE 80 N 3.25 1.20 -0.02 0.00 5.36 -1.26 -5.09 117.98 121.42 1i6e s PHE 80 Ca 0.48 -0.34 -0.22 0.00 -0.96 0.00 0.00 56.93 55.89 1i6e s PHE 80 Cb 0.13 -0.85 -0.14 0.00 -0.34 0.00 0.00 43.02 41.81 1i6e s PHE 80 CO -0.07 -0.15 0.96 0.00 -1.46 0.00 0.00 175.22 174.49 1i6e h ALA 81 N 6.52 -0.45 0.00 11.12 0.00 -1.95 -3.42 119.26 131.08 1i6e h ALA 81 Ca -0.33 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1i6e h ALA 81 Cb 1.17 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1i6e h ALA 81 CO 0.48 -0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1i6e n GLY 82 N 0.11 3.67 3.33 0.00 0.00 -1.26 -4.55 105.19 106.47 1i6e n GLY 82 Ca -0.09 -0.83 -0.46 0.00 0.00 0.00 0.00 46.02 44.64 1i6e n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i6e s LEU 83 N 0.00 6.12 0.27 0.99 1.43 0.61 -5.00 118.68 123.11 1i6e s LEU 83 Ca 0.00 -1.88 0.04 0.00 -1.03 0.00 0.00 54.13 51.26 1i6e s LEU 83 Cb 0.00 -2.23 0.38 0.00 0.03 0.00 0.00 46.19 44.37 1i6e s LEU 83 CO 0.00 -0.86 1.67 1.55 0.23 0.00 0.00 176.35 178.94 1i6e h PRO 84 N 8.76 0.36 -6.39 1.29 0.13 -1.88 -3.40 132.00 130.87 1i6e h PRO 84 Ca -0.22 -0.17 -0.54 0.00 -0.87 0.00 0.00 66.00 64.20 1i6e h PRO 84 Cb 1.09 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1i6e h PRO 84 CO 1.00 0.69 0.78 0.15 -0.23 0.00 0.00 178.00 180.40 1i6e s LYS 85 N -4.22 4.31 0.22 0.86 -0.14 -1.26 -4.98 119.74 114.53 1i6e s LYS 85 Ca -0.06 1.92 -0.08 0.00 -1.36 0.00 0.00 55.97 56.40 1i6e s LYS 85 Cb 0.13 -3.52 0.28 0.00 -1.68 0.00 0.00 37.83 33.04 1i6e s LYS 85 CO 0.79 -0.52 1.81 0.97 -0.76 0.00 0.00 175.35 177.64 1i6e h ILE 86 N 4.83 0.95 -0.64 2.17 6.09 -2.00 -2.91 117.51 126.00 1i6e h ILE 86 Ca -0.38 -0.25 0.09 0.00 -1.37 0.00 0.00 64.86 62.96 1i6e h ILE 86 Cb 1.18 0.17 -0.07 0.00 0.47 0.00 0.00 36.82 38.57 1i6e h ILE 86 CO 0.89 0.13 0.26 1.05 -3.07 0.00 0.00 178.15 177.41 1i6e h GLU 87 N 0.72 0.45 -0.49 2.19 4.11 -1.94 0.67 114.58 120.28 1i6e h GLU 87 Ca 0.32 -0.03 0.03 0.00 0.07 0.00 0.00 59.36 59.75 1i6e h GLU 87 Cb 0.22 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1i6e h GLU 87 CO -0.20 0.30 0.28 -0.44 0.07 0.00 0.00 179.01 179.02 1i6e h ASP 88 N 0.46 0.44 0.38 3.06 3.32 -1.90 0.36 116.42 122.55 1i6e h ASP 88 Ca 0.32 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.36 1i6e h ASP 88 Cb 0.38 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1i6e h ASP 88 CO -0.30 0.31 -0.18 0.03 -1.72 0.00 0.00 179.24 177.38 1i6e h ARG 89 N 0.56 -0.50 -0.49 3.56 3.08 -1.32 -2.40 114.38 116.88 1i6e h ARG 89 Ca 0.20 0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.31 1i6e h ARG 89 Cb 0.05 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 1i6e h ARG 89 CO -0.11 -0.25 0.28 0.00 -1.07 0.00 0.00 179.97 178.82 1i6e h ALA 90 N -0.08 0.63 -0.05 0.04 0.00 -0.89 -0.68 119.26 118.23 1i6e h ALA 90 Ca -0.05 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1i6e h ALA 90 Cb 0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1i6e h ALA 90 CO 0.09 -0.04 0.00 -0.91 0.00 0.00 0.00 179.25 178.39 1i6e h ASN 91 N 0.56 -0.01 -0.55 0.00 2.35 -1.02 -0.51 115.58 116.39 1i6e h ASN 91 Ca 0.20 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.99 1i6e h ASN 91 Cb 0.05 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 1i6e h ASN 91 CO -0.11 0.00 0.33 0.25 -1.65 0.00 0.00 177.43 176.26 1i6e h LEU 92 N 0.03 0.53 -0.99 1.61 5.85 -1.42 -1.42 115.31 119.49 1i6e h LEU 92 Ca 0.02 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 1i6e h LEU 92 Cb 0.02 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1i6e h LEU 92 CO -0.04 0.37 -0.21 0.40 -0.34 0.00 0.00 178.44 178.63 1i6e h ILE 93 N 0.65 1.25 -0.38 4.05 2.04 -1.10 0.23 117.51 124.25 1i6e h ILE 93 Ca 0.22 -1.18 0.04 0.00 1.00 0.00 0.00 64.86 64.95 1i6e h ILE 93 Cb 0.03 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1i6e h ILE 93 CO -0.10 0.38 0.13 0.00 0.00 0.00 0.00 178.15 178.56 1i6e h ALA 94 N 1.35 0.44 0.07 1.87 0.00 -1.01 -1.74 119.26 120.24 1i6e h ALA 94 Ca 0.07 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1i6e h ALA 94 Cb 0.61 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1i6e h ALA 94 CO 0.04 -0.26 -0.09 -0.92 0.00 0.00 0.00 179.25 178.03 1i6e h TYR 95 N 0.29 -0.22 0.00 0.00 3.20 -0.98 -2.50 116.97 116.75 1i6e h TYR 95 Ca 0.17 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 1i6e h TYR 95 Cb 0.15 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 1i6e h TYR 95 CO -0.15 -0.14 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.04 1i6e h LEU 96 N -0.19 0.00 -0.33 2.82 3.38 -1.02 0.15 115.31 120.12 1i6e h LEU 96 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1i6e h LEU 96 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1i6e h LEU 96 CO -0.04 0.13 0.10 -0.33 0.09 0.00 0.00 178.44 178.39 1i6e h GLU 97 N 0.00 0.51 -0.50 1.13 5.08 -1.28 -3.33 114.58 116.19 1i6e h GLU 97 Ca -0.00 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 1i6e h GLU 97 Cb 0.42 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1i6e h GLU 97 CO 0.02 0.55 -0.12 0.78 -1.00 0.00 0.00 179.01 179.24 1i6e h GLY 98 N 0.37 1.05 -6.32 -3.84 0.00 -1.11 -3.38 103.07 89.84 1i6e h GLY 98 Ca 0.10 -0.87 -0.70 0.00 0.00 0.00 0.00 47.33 45.87 1i6e h GLY 98 CO -0.00 0.79 2.93 -0.18 0.00 0.00 0.00 176.54 180.08 1i6e n GLN 99 N -4.19 2.81 0.00 4.80 -0.06 0.49 -5.07 117.38 116.17 1i6e n GLN 99 Ca 0.01 -2.65 0.00 0.00 -2.00 0.00 0.00 57.00 52.35 1i6e n GLN 99 Cb 0.40 -3.30 0.00 0.00 -4.06 0.00 0.00 30.24 23.28 1i6e n GLN 99 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90