#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6e n ALA 2 N 0.00 4.29 -2.86 3.04 0.00 -1.26 -2.33 120.51 121.39 1i6e n ALA 2 Ca 0.00 -4.78 -0.39 0.00 0.00 0.00 0.00 53.44 48.28 1i6e n ALA 2 Cb 0.00 -1.21 -0.12 0.00 0.00 0.00 0.00 19.45 18.13 1i6e n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1i6e s ASP 3 N -2.30 5.56 0.33 0.00 -1.08 -1.26 -4.84 116.67 113.07 1i6e s ASP 3 Ca 0.38 -0.50 0.12 0.00 -0.52 0.00 0.00 52.55 52.02 1i6e s ASP 3 Cb 0.12 -2.01 0.58 0.00 -1.46 0.00 0.00 42.92 40.15 1i6e s ASP 3 CO 0.01 -0.19 1.74 1.55 0.52 0.00 0.00 175.17 178.80 1i6e h PRO 4 N 8.35 0.00 -0.30 4.34 0.13 -1.87 -1.47 132.00 141.18 1i6e h PRO 4 Ca -0.32 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.79 1i6e h PRO 4 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1i6e h PRO 4 CO 0.61 0.47 0.12 0.00 -0.23 0.00 0.00 178.00 178.97 1i6e h ALA 5 N 1.53 0.39 -0.62 -0.56 0.00 -1.96 -1.68 119.26 116.37 1i6e h ALA 5 Ca -0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1i6e h ALA 5 Cb 0.85 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1i6e h ALA 5 CO 0.06 -0.00 0.37 0.00 0.00 0.00 0.00 179.25 179.68 1i6e h ALA 6 N 0.96 1.50 -0.59 0.00 0.00 -1.93 -3.19 119.26 116.01 1i6e h ALA 6 Ca 0.10 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1i6e h ALA 6 Cb 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1i6e h ALA 6 CO -0.01 0.44 0.39 0.78 0.00 0.00 0.00 179.25 180.86 1i6e h GLY 7 N 0.88 0.72 1.01 0.00 0.00 -1.04 -1.38 103.07 103.26 1i6e h GLY 7 Ca 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1i6e h GLY 7 CO -0.04 0.18 0.52 -2.09 0.00 0.00 0.00 176.54 175.11 1i6e h GLU 8 N 0.59 1.09 -0.53 4.80 4.81 -1.29 0.75 114.58 124.79 1i6e h GLU 8 Ca 0.25 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1i6e h GLU 8 Cb 0.26 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1i6e h GLU 8 CO -0.07 0.74 0.35 0.87 -0.73 0.00 0.00 179.01 180.17 1i6e h LYS 9 N 1.11 0.70 -0.73 1.92 1.57 -1.47 -2.65 116.57 117.02 1i6e h LYS 9 Ca 0.30 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.05 1i6e h LYS 9 Cb -0.09 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.02 1i6e h LYS 9 CO -0.06 0.46 0.48 0.28 -0.57 0.00 0.00 179.45 180.04 1i6e h VAL 10 N 0.72 1.16 -0.42 0.50 2.07 -1.21 -2.89 116.25 116.17 1i6e h VAL 10 Ca 0.19 -0.33 0.12 0.00 0.82 0.00 0.00 66.70 67.51 1i6e h VAL 10 Cb -0.08 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 1i6e h VAL 10 CO -0.04 0.17 0.35 0.15 0.02 0.00 0.00 177.57 178.22 1i6e h PHE 11 N 0.96 0.00 -1.25 1.57 3.04 -0.66 -2.14 116.94 118.46 1i6e h PHE 11 Ca 0.28 0.00 0.38 0.00 3.98 0.00 0.00 57.97 62.61 1i6e h PHE 11 Cb -0.06 0.00 -0.11 0.00 2.56 0.00 0.00 35.95 38.34 1i6e h PHE 11 CO -0.03 0.00 0.81 0.78 -2.02 0.00 0.00 178.31 177.86 1i6e h GLY 12 N 0.00 1.13 1.43 2.40 0.00 -1.25 0.28 103.07 107.06 1i6e h GLY 12 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1i6e h GLY 12 CO -0.00 -0.27 0.36 0.50 0.00 0.00 0.00 176.54 177.13 1i6e h LYS 13 N 0.17 0.76 0.00 4.80 1.57 -1.56 -3.08 116.57 119.23 1i6e h LYS 13 Ca 0.74 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.46 1i6e h LYS 13 Cb 2.26 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 34.40 1i6e h LYS 13 CO -0.34 0.52 -0.01 0.00 -0.57 0.00 0.00 179.45 179.05 1i6e n LYS 15 N -2.90 2.07 0.10 0.00 5.02 -0.63 -2.76 118.16 119.05 1i6e n LYS 15 Ca 0.04 -1.96 0.00 0.00 -2.02 0.00 0.00 58.31 54.37 1i6e n LYS 15 Cb 0.51 -2.90 0.00 0.00 -0.02 0.00 0.00 35.03 32.61 1i6e n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i6e n ALA 16 N 6.27 1.60 0.07 7.82 0.00 -1.26 -4.96 120.51 130.04 1i6e n ALA 16 Ca 0.51 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.80 1i6e n ALA 16 Cb 0.34 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.65 1i6e n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i6e s HIS 18 N -2.63 2.88 0.15 0.00 4.02 -1.11 -1.58 115.29 117.02 1i6e s HIS 18 Ca -0.07 -0.10 0.09 0.00 1.02 0.00 0.00 55.06 56.00 1i6e s HIS 18 Cb 0.07 -1.45 -0.04 0.00 -1.02 0.00 0.00 32.58 30.14 1i6e s HIS 18 CO 0.85 0.48 -0.21 0.15 1.02 0.00 0.00 174.74 177.04 1i6e s LYS 19 N -2.52 1.29 -0.01 1.40 1.02 -1.26 -4.53 119.74 115.13 1i6e s LYS 19 Ca 0.25 -1.36 0.18 0.00 0.02 0.00 0.00 55.97 55.06 1i6e s LYS 19 Cb -0.11 -1.49 -0.19 0.00 -0.52 0.00 0.00 37.83 35.52 1i6e s LYS 19 CO 0.17 0.32 0.60 1.28 -0.92 0.00 0.00 175.35 176.81 1i6e n LEU 20 N 0.55 0.53 -3.06 3.17 4.77 -1.26 -1.51 117.00 120.20 1i6e n LEU 20 Ca -0.15 0.23 -0.34 0.00 -0.03 0.00 0.00 56.01 55.73 1i6e n LEU 20 Cb 0.56 0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.75 1i6e n LEU 20 CO 0.27 0.20 2.73 0.47 -1.33 0.00 0.00 177.39 179.72 1i6e n ASP 21 N -2.75 7.83 0.00 -1.43 8.00 -1.26 -4.32 116.55 122.62 1i6e n ASP 21 Ca -0.14 -2.74 0.00 0.00 0.71 0.00 0.00 54.79 52.62 1i6e n ASP 21 Cb 0.86 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 1i6e n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i6e n GLY 22 N 2.74 0.05 3.54 0.44 0.00 -1.26 -4.99 105.19 105.72 1i6e n GLY 22 Ca 0.67 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.02 4.28 -0.09 1.61 0.01 -1.26 -4.90 114.94 112.56 1i6e s ASN 23 Ca 0.00 -0.32 -0.02 0.00 -0.71 0.00 0.00 52.86 51.81 1i6e s ASN 23 Cb 0.00 -0.84 -0.03 0.00 0.41 0.00 0.00 41.25 40.79 1i6e s ASN 23 CO 0.00 0.24 -0.02 -1.81 -1.51 0.00 0.00 177.10 174.00 1i6e s ASP 24 N -1.70 5.02 0.00 -1.22 1.11 -1.26 -3.42 116.67 115.20 1i6e s ASP 24 Ca 0.18 0.06 0.00 0.00 0.18 0.00 0.00 52.55 52.97 1i6e s ASP 24 Cb -0.11 -1.45 0.00 0.00 1.07 0.00 0.00 42.92 42.44 1i6e s ASP 24 CO 0.09 0.34 0.00 0.61 1.18 0.00 0.00 175.17 177.39 1i6e n GLY 25 N 2.40 2.55 0.09 0.21 0.00 -1.26 -5.02 105.19 104.15 1i6e n GLY 25 Ca -0.18 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 1.24 -1.51 1.61 2.07 -1.92 -3.46 116.25 114.29 1i6e h VAL 26 Ca 0.00 -1.17 -0.47 0.00 0.82 0.00 0.00 66.70 65.87 1i6e h VAL 26 Cb 0.00 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1i6e h VAL 26 CO 0.00 0.29 -0.35 -0.83 0.02 0.00 0.00 177.57 176.70 1i6e s GLY 27 N -3.23 2.08 1.05 2.17 0.00 -0.61 -5.03 107.32 103.75 1i6e s GLY 27 Ca -0.15 -1.83 -0.16 0.00 0.00 0.00 0.00 44.72 42.58 1i6e s GLY 27 CO 0.62 -1.64 1.18 2.56 0.00 0.00 0.00 173.10 175.82 1i6e s PRO 28 N -4.18 -0.01 0.01 2.90 0.04 -1.26 -4.69 135.00 127.81 1i6e s PRO 28 Ca 0.50 -0.07 -0.30 0.00 0.04 0.00 0.00 61.00 61.16 1i6e s PRO 28 Cb -0.05 -1.74 -0.06 0.00 0.04 0.00 0.00 34.50 32.69 1i6e s PRO 28 CO 0.29 -2.91 1.48 -3.38 0.04 0.00 0.00 177.00 172.53 1i6e s HIS 29 N -3.35 2.68 -1.66 0.56 -3.43 -1.22 -4.07 115.29 104.79 1i6e s HIS 29 Ca 0.70 0.64 0.27 0.00 -0.80 0.00 0.00 55.06 55.88 1i6e s HIS 29 Cb -0.09 -3.76 0.94 0.00 -1.43 0.00 0.00 32.58 28.23 1i6e s HIS 29 CO 0.54 -2.92 1.68 1.28 -2.00 0.00 0.00 174.74 173.33 1i6e n LEU 30 N 5.58 0.77 -4.64 5.38 4.77 -0.57 -4.74 117.00 123.55 1i6e n LEU 30 Ca 0.14 -0.13 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 1i6e n LEU 30 Cb 0.43 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 1i6e n LEU 30 CO 0.60 0.14 1.54 0.21 -1.33 0.00 0.00 177.39 178.56 1i6e s ASN 31 N -2.52 6.32 0.00 -1.43 2.47 -1.26 -3.31 114.94 115.21 1i6e s ASN 31 Ca 0.25 2.23 0.00 0.00 0.42 0.00 0.00 52.86 55.76 1i6e s ASN 31 Cb 0.19 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.47 1i6e s ASN 31 CO 0.51 -1.22 0.00 0.61 -3.72 0.00 0.00 177.10 173.28 1i6e n GLY 32 N 4.68 0.93 0.11 1.21 0.00 -0.27 -4.88 105.19 106.97 1i6e n GLY 32 Ca 0.21 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.34 1.53 -2.26 1.61 3.14 -1.21 -4.52 118.33 114.27 1i6e n VAL 33 Ca 0.00 -0.76 -0.42 0.00 -2.96 0.00 0.00 64.34 60.20 1i6e n VAL 33 Cb 0.49 -0.99 -0.02 0.00 -1.06 0.00 0.00 33.84 32.25 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 -2.54 3.74 0.00 1.55 1.01 -1.26 -1.20 120.40 121.70 1i6e s VAL 34 Ca -0.15 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1i6e s VAL 34 Cb 0.07 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1i6e s VAL 34 CO 0.78 -0.81 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1i6e n GLY 35 N 5.25 1.20 3.79 4.51 0.00 -0.05 -5.00 105.19 114.89 1i6e n GLY 35 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.75 4.17 0.35 1.61 3.52 -0.34 -4.61 118.95 122.90 1i6e s ARG 36 Ca 0.00 1.44 -0.27 0.00 -0.13 0.00 0.00 55.73 56.77 1i6e s ARG 36 Cb 0.00 -2.49 -0.12 0.00 -1.56 0.00 0.00 34.95 30.78 1i6e s ARG 36 CO 0.00 -0.12 1.17 2.41 -0.81 0.00 0.00 175.30 177.95 1i6e n THR 37 N -0.16 2.14 -2.10 4.11 -1.04 -1.26 -0.28 114.28 115.69 1i6e n THR 37 Ca 0.05 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.14 1i6e n THR 37 Cb 0.50 -1.36 -0.03 0.00 -1.82 0.00 0.00 70.33 67.63 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 -1.13 3.66 -0.53 12.58 1.01 -0.76 -2.06 120.40 133.18 1i6e s VAL 38 Ca 0.58 0.72 -0.02 0.00 0.00 0.00 0.00 61.98 63.27 1i6e s VAL 38 Cb -0.59 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 1i6e s VAL 38 CO 0.60 -0.36 0.48 0.00 0.00 0.00 0.00 175.10 175.83 1i6e n ALA 39 N 8.90 -1.90 -0.03 5.51 0.00 -1.26 -4.37 120.51 127.36 1i6e n ALA 39 Ca 0.20 0.04 -0.00 0.00 0.00 0.00 0.00 53.44 53.67 1i6e n ALA 39 Cb 0.46 -2.22 -0.07 0.00 0.00 0.00 0.00 19.45 17.61 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 -1.40 -0.43 3.54 0.00 0.00 -0.87 -4.90 105.19 101.11 1i6e n GLY 40 Ca -0.02 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.41 3.85 -0.40 1.61 1.01 -1.26 -4.90 120.40 117.90 1i6e s VAL 41 Ca -0.04 0.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.78 1i6e s VAL 41 Cb 0.04 -4.90 -0.02 0.00 0.00 0.00 0.00 36.38 31.50 1i6e s VAL 41 CO 0.37 -1.81 1.76 -0.62 0.00 0.00 0.00 175.10 174.81 1i6e s ASP 42 N 3.89 5.82 0.00 3.32 2.15 -1.26 -1.91 116.67 128.68 1i6e s ASP 42 Ca 0.35 1.05 0.00 0.00 0.43 0.00 0.00 52.55 54.38 1i6e s ASP 42 Cb -0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1i6e s ASP 42 CO 0.11 -1.81 0.00 0.61 -0.17 0.00 0.00 175.17 173.91 1i6e n GLY 43 N 5.43 3.63 3.71 2.66 0.00 -1.26 -5.12 105.19 114.23 1i6e n GLY 43 Ca 0.22 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 3.63 -0.73 1.61 5.36 -0.80 -5.03 117.98 122.02 1i6e s PHE 44 Ca 0.00 1.68 -0.26 0.00 -0.96 0.00 0.00 56.93 57.38 1i6e s PHE 44 Cb 0.00 -3.14 0.01 0.00 -0.34 0.00 0.00 43.02 39.56 1i6e s PHE 44 CO 0.00 -0.06 1.50 0.54 -1.46 0.00 0.00 175.22 175.73 1i6e s ASN 45 N 1.03 5.88 0.57 6.13 4.22 -1.26 -4.91 114.94 126.59 1i6e s ASN 45 Ca 0.51 -0.31 -0.12 0.00 -2.14 0.00 0.00 52.86 50.81 1i6e s ASN 45 Cb -0.21 -2.55 -0.05 0.00 1.28 0.00 0.00 41.25 39.72 1i6e s ASN 45 CO 0.26 -2.01 0.99 -0.31 -2.04 0.00 0.00 177.10 173.98 1i6e s TYR 46 N 6.86 3.57 0.64 1.54 2.02 -1.26 -5.07 117.35 125.64 1i6e s TYR 46 Ca 0.47 1.29 -0.17 0.00 -0.37 0.00 0.00 57.07 58.28 1i6e s TYR 46 Cb -0.09 -2.69 -0.01 0.00 -0.40 0.00 0.00 41.96 38.77 1i6e s TYR 46 CO 0.14 -0.54 1.21 0.45 -1.57 0.00 0.00 175.55 175.24 1i6e s SER 47 N -3.82 4.84 0.13 2.29 0.15 -1.26 -4.83 113.70 111.21 1i6e s SER 47 Ca 0.55 2.39 -0.19 0.00 0.70 0.00 0.00 55.95 59.41 1i6e s SER 47 Cb -0.11 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.58 1i6e s SER 47 CO 0.46 -1.83 1.76 0.44 1.20 0.00 0.00 173.24 175.27 1i6e h ASP 48 N 0.48 0.17 0.34 5.45 3.32 -1.98 -0.72 116.42 123.48 1i6e h ASP 48 Ca -0.50 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 1i6e h ASP 48 Cb 1.30 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.83 1i6e h ASP 48 CO 0.53 0.13 -0.08 1.55 -1.72 0.00 0.00 179.24 179.66 1i6e h PRO 49 N 0.25 0.00 -0.05 3.56 0.13 -1.86 -0.35 132.00 133.68 1i6e h PRO 49 Ca 0.10 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1i6e h PRO 49 Cb 0.03 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.16 1i6e h PRO 49 CO -0.08 0.08 -0.00 1.98 -0.23 0.00 0.00 178.00 179.75 1i6e h MET 50 N 0.00 0.09 -0.50 0.86 -1.53 -1.75 -2.29 114.93 109.82 1i6e h MET 50 Ca -0.00 -0.03 0.05 0.00 -3.44 0.00 0.00 59.70 56.27 1i6e h MET 50 Cb 0.27 -0.01 -0.04 0.00 -0.55 0.00 0.00 31.60 31.27 1i6e h MET 50 CO 0.01 0.39 0.25 0.87 0.14 0.00 0.00 176.91 178.56 1i6e h LYS 51 N -0.21 0.47 0.00 0.39 1.57 -1.02 -3.07 116.57 114.69 1i6e h LYS 51 Ca 0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1i6e h LYS 51 Cb 0.35 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1i6e h LYS 51 CO 0.00 0.31 0.00 0.00 -0.57 0.00 0.00 179.45 179.19 1i6e n ALA 52 N -2.34 1.71 0.21 3.86 0.00 -0.15 -4.07 120.51 119.73 1i6e n ALA 52 Ca 0.04 0.07 -0.14 0.00 0.00 0.00 0.00 53.44 53.42 1i6e n ALA 52 Cb 0.14 -1.39 -0.08 0.00 0.00 0.00 0.00 19.45 18.12 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 -0.50 -0.07 0.00 6.17 -1.30 -3.50 115.15 115.95 1i6e h HIS 53 Ca 0.00 -0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.08 1i6e h HIS 53 Cb 0.39 0.17 -0.00 0.00 2.52 0.00 0.00 27.41 30.48 1i6e h HIS 53 CO 0.00 -0.19 -0.01 0.41 0.71 0.00 0.00 177.93 178.85 1i6e n GLY 54 N -0.56 -1.40 7.00 5.26 0.00 -1.26 -5.07 105.19 109.17 1i6e n GLY 54 Ca -0.10 -1.53 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 -1.31 0.36 3.15 -0.02 0.00 -1.26 -4.54 105.19 101.56 1i6e n GLY 55 Ca 0.00 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 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 1.20 -1.24 1.61 1.01 -1.26 -1.82 116.67 112.17 1i6e s ASP 56 Ca 0.00 -0.82 -0.19 0.00 0.71 0.00 0.00 52.55 52.25 1i6e s ASP 56 Cb 0.00 0.05 -0.01 0.00 1.01 0.00 0.00 42.92 43.97 1i6e s ASP 56 CO 0.00 -0.32 1.91 0.79 0.21 0.00 0.00 175.17 177.76 1i6e n TRP 57 N 0.56 3.60 -1.43 4.23 7.02 0.61 -4.79 117.44 127.24 1i6e n TRP 57 Ca -0.16 -2.40 -0.31 0.00 -1.02 0.00 0.00 57.50 53.62 1i6e n TRP 57 Cb 0.58 -2.50 0.08 0.00 -2.42 0.00 0.00 31.31 27.05 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 5.79 3.47 0.36 -0.99 -4.23 -1.26 -0.87 115.64 117.91 1i6e s THR 58 Ca 0.57 0.48 0.06 0.00 -1.18 0.00 0.00 61.69 61.61 1i6e s THR 58 Cb 0.06 -3.11 0.30 0.00 1.34 0.00 0.00 72.50 71.09 1i6e s THR 58 CO 0.06 -0.62 1.94 1.55 -0.54 0.00 0.00 174.62 177.01 1i6e h PRO 59 N -1.01 0.75 -0.04 3.99 0.13 -1.98 -0.89 132.00 132.95 1i6e h PRO 59 Ca -0.45 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1i6e h PRO 59 Cb 1.24 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1i6e h PRO 59 CO 0.55 0.50 0.02 1.49 -0.23 0.00 0.00 178.00 180.33 1i6e h GLU 60 N 0.77 0.05 -0.70 0.86 4.81 -1.99 -0.79 114.58 117.60 1i6e h GLU 60 Ca 0.34 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.61 1i6e h GLU 60 Cb 0.31 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 1i6e h GLU 60 CO -0.12 0.09 0.41 0.00 -0.73 0.00 0.00 179.01 178.66 1i6e h ALA 61 N 0.96 0.94 -0.44 2.92 0.00 -1.80 -0.99 119.26 120.85 1i6e h ALA 61 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1i6e h ALA 61 Cb 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1i6e h ALA 61 CO -0.00 0.12 0.13 -0.07 0.00 0.00 0.00 179.25 179.44 1i6e h LEU 62 N 0.77 0.64 -0.57 0.00 3.38 -1.23 -0.53 115.31 117.77 1i6e h LEU 62 Ca 0.30 -0.21 0.11 0.00 0.09 0.00 0.00 57.88 58.18 1i6e h LEU 62 Cb 0.14 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 40.63 1i6e h LEU 62 CO -0.16 0.68 0.05 1.56 0.09 0.00 0.00 178.44 180.66 1i6e h GLN 63 N 0.57 0.17 0.86 1.13 1.08 -1.00 -0.18 115.11 117.73 1i6e h GLN 63 Ca 0.14 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.29 1i6e h GLN 63 Cb 0.27 -0.04 0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1i6e h GLN 63 CO -0.00 0.11 -0.41 0.93 -0.95 0.00 0.00 178.83 178.50 1i6e h GLU 64 N 0.17 -1.12 -0.88 1.46 5.08 -1.15 -2.56 114.58 115.59 1i6e h GLU 64 Ca 0.30 0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 1i6e h GLU 64 Cb 0.46 0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 1i6e h GLU 64 CO -0.44 -0.74 0.50 0.35 -1.00 0.00 0.00 179.01 177.67 1i6e h PHE 65 N -1.22 1.19 0.00 4.33 3.57 -1.10 -2.67 116.94 121.04 1i6e h PHE 65 Ca -0.12 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1i6e h PHE 65 Cb 0.89 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1i6e h PHE 65 CO 0.02 0.81 0.00 -0.07 -2.23 0.00 0.00 178.31 176.84 1i6e h LEU 66 N 1.22 0.00 0.09 0.59 3.38 -1.16 -2.09 115.31 117.33 1i6e h LEU 66 Ca 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 1i6e h LEU 66 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1i6e h LEU 66 CO -0.05 0.00 -0.04 0.74 0.09 0.00 0.00 178.44 179.17 1i6e h THR 67 N 0.00 1.09 -2.19 0.22 2.02 -1.17 0.17 112.91 113.06 1i6e h THR 67 Ca 0.00 -0.68 -0.16 0.00 0.77 0.00 0.00 66.41 66.34 1i6e h THR 67 Cb 0.67 1.53 -0.30 0.00 -1.74 0.00 0.00 68.15 68.30 1i6e h THR 67 CO 0.00 0.17 -0.47 0.21 0.37 0.00 0.00 175.52 175.79 1i6e s ASN 68 N -5.38 0.25 -0.04 4.18 3.84 -1.03 -3.68 114.94 113.07 1i6e s ASN 68 Ca -0.15 0.39 -0.25 0.00 0.21 0.00 0.00 52.86 53.07 1i6e s ASN 68 Cb 0.03 1.06 -0.22 0.00 -0.55 0.00 0.00 41.25 41.57 1i6e s ASN 68 CO 0.64 -0.28 1.10 1.55 -2.79 0.00 0.00 177.10 177.32 1i6e h PRO 69 N 8.20 0.13 0.00 0.43 0.13 -1.63 -3.10 132.00 136.16 1i6e h PRO 69 Ca -0.18 -0.11 -0.08 0.00 -0.87 0.00 0.00 66.00 64.76 1i6e h PRO 69 Cb 1.14 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1i6e h PRO 69 CO 0.23 0.79 -0.38 0.87 -0.23 0.00 0.00 178.00 179.27 1i6e h LYS 70 N -0.50 0.00 -0.54 0.86 1.57 -1.83 -0.59 116.57 115.54 1i6e h LYS 70 Ca -0.01 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 1i6e h LYS 70 Cb 0.82 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1i6e h LYS 70 CO 0.03 0.38 -0.05 0.00 -0.57 0.00 0.00 179.45 179.24 1i6e h ALA 71 N 1.62 0.74 0.33 3.86 0.00 -1.99 -3.25 119.26 120.57 1i6e h ALA 71 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1i6e h ALA 71 Cb 0.81 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1i6e h ALA 71 CO 0.05 0.60 -0.16 0.28 0.00 0.00 0.00 179.25 180.02 1i6e h VAL 72 N 0.87 0.32 -3.16 0.00 2.07 -1.45 -3.40 116.25 111.50 1i6e h VAL 72 Ca 0.15 -0.76 -0.75 0.00 0.82 0.00 0.00 66.70 66.16 1i6e h VAL 72 Cb 0.60 0.52 -0.25 0.00 -1.52 0.00 0.00 31.29 30.64 1i6e h VAL 72 CO 0.04 0.08 -0.27 -0.69 0.02 0.00 0.00 177.57 176.74 1i6e s VAL 73 N -3.47 4.96 -0.69 2.57 1.01 -0.24 -5.05 120.40 119.50 1i6e s VAL 73 Ca -0.10 -1.54 -0.26 0.00 0.00 0.00 0.00 61.98 60.08 1i6e s VAL 73 Cb 0.01 -4.18 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 1i6e s VAL 73 CO 0.34 -0.82 1.68 -0.75 0.00 0.00 0.00 175.10 175.54 1i6e s LYS 74 N 1.54 2.83 0.00 2.72 2.20 -1.23 -2.31 119.74 125.50 1i6e s LYS 74 Ca 0.04 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 1i6e s LYS 74 Cb -0.29 -4.41 0.00 0.00 -1.51 0.00 0.00 37.83 31.63 1i6e s LYS 74 CO 0.02 -2.58 0.00 0.41 -0.36 0.00 0.00 175.35 172.84 1i6e n GLY 75 N 5.73 1.46 3.74 5.54 0.00 -1.26 -4.77 105.19 115.63 1i6e n GLY 75 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 3.66 -2.00 2.61 -1.32 -0.98 -4.66 115.64 110.95 1i6e s THR 76 Ca 0.00 1.47 0.12 0.00 -1.21 0.00 0.00 61.69 62.07 1i6e s THR 76 Cb 0.00 -3.94 0.34 0.00 -1.51 0.00 0.00 72.50 67.39 1i6e s THR 76 CO 0.00 0.27 1.20 2.29 -2.21 0.00 0.00 174.62 176.17 1i6e n LYS 77 N 2.10 0.62 -2.22 7.08 2.85 -1.26 -4.69 118.16 122.65 1i6e n LYS 77 Ca 0.02 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.95 1i6e n LYS 77 Cb 0.45 -1.30 -0.04 0.00 -0.65 0.00 0.00 35.03 33.49 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 -1.32 -1.58 1.75 -1.26 -4.94 119.30 112.83 1i6e s MET 78 Ca 0.18 -0.35 -0.15 0.00 -1.25 0.00 0.00 55.69 54.12 1i6e s MET 78 Cb 0.08 -4.96 0.09 0.00 2.84 0.00 0.00 34.83 32.89 1i6e s MET 78 CO 0.14 -2.88 1.80 0.00 -0.65 0.00 0.00 175.02 173.43 1i6e n ALA 79 N 12.14 4.23 -3.48 4.11 0.00 -1.26 -4.66 120.51 131.57 1i6e n ALA 79 Ca 0.32 -3.98 -0.25 0.00 0.00 0.00 0.00 53.44 49.53 1i6e n ALA 79 Cb 0.49 -3.43 -0.17 0.00 0.00 0.00 0.00 19.45 16.35 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 3.12 1.56 -0.49 0.00 5.36 -1.26 -5.11 117.98 121.16 1i6e s PHE 80 Ca 0.49 -0.60 -0.28 0.00 -0.96 0.00 0.00 56.93 55.58 1i6e s PHE 80 Cb 0.05 -1.14 0.00 0.00 -0.34 0.00 0.00 43.02 41.60 1i6e s PHE 80 CO 0.02 -0.31 1.52 0.00 -1.46 0.00 0.00 175.22 174.99 1i6e s ALA 81 N 0.72 2.82 1.24 11.12 0.00 -1.26 -4.61 121.76 131.79 1i6e s ALA 81 Ca -0.13 -0.38 -0.16 0.00 0.00 0.00 0.00 51.96 51.29 1i6e s ALA 81 Cb -0.16 -4.06 0.31 0.00 0.00 0.00 0.00 23.12 19.21 1i6e s ALA 81 CO 0.03 -2.83 1.00 0.20 0.00 0.00 0.00 175.76 174.16 1i6e s GLY 82 N 4.94 1.50 -0.47 0.00 0.00 -1.26 -5.01 107.32 107.03 1i6e s GLY 82 Ca 0.61 -0.41 -0.19 0.00 0.00 0.00 0.00 44.72 44.72 1i6e s GLY 82 CO 0.28 0.40 0.58 1.08 0.00 0.00 0.00 173.10 175.45 1i6e s LEU 83 N -7.36 4.82 0.21 0.66 1.43 0.61 -4.96 118.68 114.09 1i6e s LEU 83 Ca 0.68 -0.70 -0.02 0.00 -1.03 0.00 0.00 54.13 53.07 1i6e s LEU 83 Cb -0.20 -2.51 0.17 0.00 0.03 0.00 0.00 46.19 43.67 1i6e s LEU 83 CO 0.62 -0.78 1.54 1.55 0.23 0.00 0.00 176.35 179.51 1i6e h PRO 84 N 8.90 0.54 -6.44 1.29 0.13 -1.87 -3.38 132.00 131.16 1i6e h PRO 84 Ca -0.27 -0.31 -0.54 0.00 -0.87 0.00 0.00 66.00 64.01 1i6e h PRO 84 Cb 1.10 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1i6e h PRO 84 CO 0.90 0.91 0.67 0.15 -0.23 0.00 0.00 178.00 180.41 1i6e s LYS 85 N -4.08 4.36 0.19 0.86 3.01 -1.26 -4.99 119.74 117.84 1i6e s LYS 85 Ca -0.07 1.85 -0.11 0.00 -1.01 0.00 0.00 55.97 56.63 1i6e s LYS 85 Cb 0.12 -3.42 0.20 0.00 -1.01 0.00 0.00 37.83 33.72 1i6e s LYS 85 CO 0.83 -0.39 1.78 0.97 0.51 0.00 0.00 175.35 179.05 1i6e h ILE 86 N 4.64 0.92 -0.55 2.17 6.09 -2.00 -3.08 117.51 125.71 1i6e h ILE 86 Ca -0.40 -0.18 0.07 0.00 -1.37 0.00 0.00 64.86 62.99 1i6e h ILE 86 Cb 1.20 0.34 -0.06 0.00 0.47 0.00 0.00 36.82 38.77 1i6e h ILE 86 CO 0.85 0.10 0.22 1.05 -3.07 0.00 0.00 178.15 177.30 1i6e h GLU 87 N 0.53 0.40 -0.55 2.19 4.11 -1.94 0.24 114.58 119.55 1i6e h GLU 87 Ca 0.26 -0.02 0.05 0.00 0.07 0.00 0.00 59.36 59.72 1i6e h GLU 87 Cb 0.20 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 1i6e h GLU 87 CO -0.20 0.26 0.29 -0.44 0.07 0.00 0.00 179.01 179.00 1i6e h ASP 88 N 0.41 0.42 0.14 3.06 5.19 -1.84 0.86 116.42 124.66 1i6e h ASP 88 Ca 0.26 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.69 1i6e h ASP 88 Cb 0.27 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1i6e h ASP 88 CO -0.25 0.28 -0.07 0.03 -3.12 0.00 0.00 179.24 176.12 1i6e h ARG 89 N 0.55 -0.18 -0.64 3.56 3.08 -1.42 -2.46 114.38 116.87 1i6e h ARG 89 Ca 0.24 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.32 1i6e h ARG 89 Cb 0.14 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1i6e h ARG 89 CO -0.16 0.06 0.41 0.00 -1.07 0.00 0.00 179.97 179.21 1i6e h ALA 90 N 0.42 0.82 0.01 0.04 0.00 -0.94 -0.41 119.26 119.20 1i6e h ALA 90 Ca -0.02 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1i6e h ALA 90 Cb 0.32 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1i6e h ALA 90 CO 0.03 0.20 -0.22 -0.91 0.00 0.00 0.00 179.25 178.34 1i6e h ASN 91 N 0.82 -0.66 -0.33 0.00 2.35 -0.41 -1.08 115.58 116.28 1i6e h ASN 91 Ca 0.25 0.09 0.03 0.00 -0.55 0.00 0.00 56.30 56.12 1i6e h ASN 91 Cb -0.04 0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 1i6e h ASN 91 CO -0.08 -0.29 0.13 0.25 -1.65 0.00 0.00 177.43 175.78 1i6e h LEU 92 N -0.36 0.15 -0.63 1.61 5.85 -1.40 -1.72 115.31 118.81 1i6e h LEU 92 Ca 0.06 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1i6e h LEU 92 Cb 0.43 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1i6e h LEU 92 CO -0.19 0.12 0.23 0.40 -0.34 0.00 0.00 178.44 178.66 1i6e h ILE 93 N 0.28 1.24 -0.73 4.05 2.04 -1.07 -0.05 117.51 123.26 1i6e h ILE 93 Ca 0.15 -0.78 0.11 0.00 1.00 0.00 0.00 64.86 65.34 1i6e h ILE 93 Cb 0.11 0.57 -0.08 0.00 -0.74 0.00 0.00 36.82 36.68 1i6e h ILE 93 CO -0.14 0.30 0.34 0.00 0.00 0.00 0.00 178.15 178.65 1i6e h ALA 94 N 1.09 1.03 -0.05 1.87 0.00 -1.17 -0.04 119.26 121.99 1i6e h ALA 94 Ca 0.21 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1i6e h ALA 94 Cb 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1i6e h ALA 94 CO -0.01 -0.10 0.03 -0.92 0.00 0.00 0.00 179.25 178.24 1i6e h TYR 95 N 0.55 0.07 0.00 0.00 3.20 -1.04 -2.61 116.97 117.14 1i6e h TYR 95 Ca 0.38 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.21 1i6e h TYR 95 Cb 0.47 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1i6e h TYR 95 CO -0.13 0.09 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.23 1i6e h LEU 96 N 0.03 0.00 -0.55 2.82 3.38 -0.89 0.39 115.31 120.48 1i6e h LEU 96 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1i6e h LEU 96 Cb 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1i6e h LEU 96 CO -0.00 0.18 0.31 -0.33 0.09 0.00 0.00 178.44 178.69 1i6e h GLU 97 N 0.00 0.76 -0.66 1.13 5.08 -1.02 -3.29 114.58 116.58 1i6e h GLU 97 Ca -0.00 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1i6e h GLU 97 Cb 0.46 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1i6e h GLU 97 CO 0.02 0.57 0.12 0.78 -1.00 0.00 0.00 179.01 179.51 1i6e h GLY 98 N 0.74 1.16 -7.57 -3.84 0.00 -1.02 -3.38 103.07 89.17 1i6e h GLY 98 Ca 0.20 -0.76 -0.67 0.00 0.00 0.00 0.00 47.33 46.09 1i6e h GLY 98 CO -0.03 0.71 1.66 1.20 0.00 0.00 0.00 176.54 180.07 1i6e s GLN 99 N -5.23 3.85 0.00 4.80 -1.52 0.08 -5.07 119.66 116.56 1i6e s GLN 99 Ca -0.12 -1.84 0.00 0.00 -1.95 0.00 0.00 55.36 51.45 1i6e s GLN 99 Cb 0.14 -5.31 0.00 0.00 -0.22 0.00 0.00 33.01 27.62 1i6e s GLN 99 CO 0.84 -2.08 0.08 1.04 -0.25 0.00 0.00 175.29 174.92