#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 4.94 -3.12 3.04 0.00 -1.26 -2.23 120.51 121.88 1i6e n ALA 2 Ca 0.00 -4.20 -0.39 0.00 0.00 0.00 0.00 53.44 48.84 1i6e n ALA 2 Cb 0.00 -3.12 -0.11 0.00 0.00 0.00 0.00 19.45 16.21 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 1.88 5.53 0.32 0.00 -1.08 -1.26 -4.93 116.67 117.12 1i6e s ASP 3 Ca 0.42 -1.20 0.13 0.00 -0.52 0.00 0.00 52.55 51.38 1i6e s ASP 3 Cb 0.07 -1.95 0.53 0.00 -1.46 0.00 0.00 42.92 40.12 1i6e s ASP 3 CO -0.01 -0.40 1.70 1.55 0.52 0.00 0.00 175.17 178.54 1i6e h PRO 4 N 8.33 0.00 -0.14 4.34 0.13 -1.84 -2.32 132.00 140.50 1i6e h PRO 4 Ca -0.24 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1i6e h PRO 4 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1i6e h PRO 4 CO 0.66 0.50 0.08 0.00 -0.23 0.00 0.00 178.00 179.01 1i6e h ALA 5 N 1.50 0.17 -0.83 -0.56 0.00 -1.95 -1.68 119.26 115.91 1i6e h ALA 5 Ca -0.01 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1i6e h ALA 5 Cb 0.92 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1i6e h ALA 5 CO 0.07 -0.29 0.54 0.00 0.00 0.00 0.00 179.25 179.56 1i6e h ALA 6 N 0.98 1.60 -0.37 0.00 0.00 -1.91 -2.99 119.26 116.56 1i6e h ALA 6 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1i6e h ALA 6 Cb 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1i6e h ALA 6 CO -0.01 0.27 0.20 0.78 0.00 0.00 0.00 179.25 180.50 1i6e h GLY 7 N 0.90 0.54 1.14 0.00 0.00 -1.23 -2.32 103.07 102.11 1i6e h GLY 7 Ca 0.36 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1i6e h GLY 7 CO -0.13 0.22 0.50 -2.09 0.00 0.00 0.00 176.54 175.04 1i6e h GLU 8 N 0.52 1.13 -0.37 4.80 4.22 -1.15 -0.28 114.58 123.45 1i6e h GLU 8 Ca 0.13 -0.10 -0.07 0.00 0.08 0.00 0.00 59.36 59.40 1i6e h GLU 8 Cb 0.02 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1i6e h GLU 8 CO -0.02 0.80 -0.06 1.57 -2.18 0.00 0.00 179.01 179.12 1i6e h LYS 9 N 1.15 0.68 -0.45 1.92 2.10 -1.51 -3.29 116.57 117.18 1i6e h LYS 9 Ca 0.30 -0.25 -0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1i6e h LYS 9 Cb -0.04 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 31.22 1i6e h LYS 9 CO -0.06 0.82 0.27 0.28 -2.00 0.00 0.00 179.45 178.77 1i6e h VAL 10 N 0.49 1.13 -0.01 0.07 2.07 -1.34 -2.61 116.25 116.03 1i6e h VAL 10 Ca 0.10 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1i6e h VAL 10 Cb 0.55 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1i6e h VAL 10 CO 0.03 0.13 0.26 0.15 0.02 0.00 0.00 177.57 178.16 1i6e h PHE 11 N 0.62 0.00 -1.14 1.57 3.57 -1.11 -1.96 116.94 118.48 1i6e h PHE 11 Ca 0.16 0.00 0.35 0.00 3.53 0.00 0.00 57.97 62.01 1i6e h PHE 11 Cb -0.03 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 38.59 1i6e h PHE 11 CO 0.00 0.00 0.71 0.78 -2.23 0.00 0.00 178.31 177.57 1i6e h GLY 12 N 0.00 1.50 1.87 2.40 0.00 -1.60 0.56 103.07 107.80 1i6e h GLY 12 Ca 0.01 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 1i6e h GLY 12 CO -0.00 -0.35 -0.29 0.50 0.00 0.00 0.00 176.54 176.40 1i6e h LYS 13 N 0.25 0.15 0.05 4.80 1.57 -1.58 -3.36 116.57 118.45 1i6e h LYS 13 Ca 0.73 -0.05 -0.32 0.00 -1.87 0.00 0.00 60.65 59.13 1i6e h LYS 13 Cb 1.98 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 34.24 1i6e h LYS 13 CO -0.44 0.44 -1.85 0.00 -0.57 0.00 0.00 179.45 177.03 1i6e h LYS 15 N 0.03 0.23 -0.55 0.00 5.09 -1.08 -1.18 116.57 119.11 1i6e h LYS 15 Ca -0.35 -0.01 0.04 0.00 0.09 0.00 0.00 60.65 60.41 1i6e h LYS 15 Cb 2.03 -0.05 -0.03 0.00 0.10 0.00 0.00 32.23 34.28 1i6e h LYS 15 CO 0.08 0.15 0.37 0.00 -2.09 0.00 0.00 179.45 177.96 1i6e h ALA 16 N 1.71 1.74 0.04 0.07 0.00 -1.84 -3.31 119.26 117.66 1i6e h ALA 16 Ca 0.28 -0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.79 1i6e h ALA 16 Cb 0.77 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1i6e h ALA 16 CO -0.06 0.20 -2.17 0.00 0.00 0.00 0.00 179.25 177.22 1i6e s HIS 18 N -2.51 2.99 0.11 0.00 3.76 -0.48 -1.51 115.29 117.64 1i6e s HIS 18 Ca -0.31 -0.52 -0.08 0.00 -0.15 0.00 0.00 55.06 54.01 1i6e s HIS 18 Cb 0.09 -2.01 -0.06 0.00 1.11 0.00 0.00 32.58 31.71 1i6e s HIS 18 CO 0.63 -0.22 0.39 0.15 -0.85 0.00 0.00 174.74 174.84 1i6e s LYS 19 N 0.77 3.69 0.10 1.40 1.02 -1.26 -4.14 119.74 121.33 1i6e s LYS 19 Ca -0.01 0.05 0.11 0.00 0.02 0.00 0.00 55.97 56.14 1i6e s LYS 19 Cb -0.15 -2.93 -0.16 0.00 -0.52 0.00 0.00 37.83 34.08 1i6e s LYS 19 CO 0.02 0.52 1.11 -0.07 -0.92 0.00 0.00 175.35 176.01 1i6e h LEU 20 N 3.33 0.00 -5.25 3.17 3.38 -1.96 -2.79 115.31 115.19 1i6e h LEU 20 Ca -0.48 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 56.81 1i6e h LEU 20 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1i6e h LEU 20 CO 0.69 0.88 3.56 0.47 0.09 0.00 0.00 178.44 184.13 1i6e n ASP 21 N -3.21 7.89 -0.02 -0.43 8.00 -1.26 -4.37 116.55 123.15 1i6e n ASP 21 Ca -0.05 -2.68 -0.00 0.00 0.71 0.00 0.00 54.79 52.77 1i6e n ASP 21 Cb 0.92 -1.55 -0.00 0.00 -0.02 0.00 0.00 41.12 40.47 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 3.44 0.04 3.28 0.44 0.00 -1.26 -4.98 105.19 106.16 1i6e n GLY 22 Ca 0.72 -0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.56 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 -2.01 2.21 0.39 1.61 0.01 -1.26 -4.90 114.94 110.99 1i6e s ASN 23 Ca 0.00 -0.90 -0.22 0.00 -0.71 0.00 0.00 52.86 51.03 1i6e s ASN 23 Cb 0.00 -0.09 -0.11 0.00 0.41 0.00 0.00 41.25 41.47 1i6e s ASN 23 CO 0.00 -0.16 0.93 -0.62 -1.51 0.00 0.00 177.10 175.74 1i6e s ASP 24 N -2.79 7.05 0.00 -1.22 2.15 -1.26 -3.18 116.67 117.41 1i6e s ASP 24 Ca 0.14 1.71 0.00 0.00 0.43 0.00 0.00 52.55 54.83 1i6e s ASP 24 Cb -0.03 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1i6e s ASP 24 CO 0.04 -0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.39 1i6e n GLY 25 N -0.25 0.62 0.07 2.66 0.00 -1.22 -4.93 105.19 102.14 1i6e n GLY 25 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 1.45 -2.54 1.61 2.07 -1.54 -3.48 116.25 113.83 1i6e h VAL 26 Ca 0.00 -2.07 -0.52 0.00 0.82 0.00 0.00 66.70 64.93 1i6e h VAL 26 Cb 0.00 2.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1i6e h VAL 26 CO 0.00 0.49 -0.43 -0.83 0.02 0.00 0.00 177.57 176.82 1i6e s GLY 27 N -4.07 1.61 0.48 2.17 0.00 -0.62 -5.01 107.32 101.88 1i6e s GLY 27 Ca -0.15 -1.03 -0.19 0.00 0.00 0.00 0.00 44.72 43.34 1i6e s GLY 27 CO 0.56 -1.03 0.99 2.56 0.00 0.00 0.00 173.10 176.19 1i6e s PRO 28 N -3.43 3.96 -0.08 2.90 0.04 -1.26 -4.36 135.00 132.79 1i6e s PRO 28 Ca 0.35 1.17 -0.39 0.00 0.04 0.00 0.00 61.00 62.17 1i6e s PRO 28 Cb -0.11 -2.13 -0.18 0.00 0.04 0.00 0.00 34.50 32.13 1i6e s PRO 28 CO 0.29 -0.27 1.40 -2.39 0.04 0.00 0.00 177.00 176.07 1i6e n HIS 29 N -1.04 1.47 1.26 0.56 1.44 -1.19 -4.76 115.22 112.96 1i6e n HIS 29 Ca 0.08 0.76 0.14 0.00 -2.01 0.00 0.00 57.72 56.68 1i6e n HIS 29 Cb 0.53 -2.30 0.55 0.00 0.12 0.00 0.00 29.99 28.90 1i6e n HIS 29 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1i6e n LEU 30 N 3.10 0.40 -4.65 2.39 4.77 -1.05 -4.71 117.00 117.25 1i6e n LEU 30 Ca 0.22 0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.87 1i6e n LEU 30 Cb 0.13 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1i6e n LEU 30 CO 0.69 0.08 1.52 0.21 -1.33 0.00 0.00 177.39 178.55 1i6e s ASN 31 N -2.66 6.37 -0.13 -1.43 2.47 -1.26 -3.39 114.94 114.92 1i6e s ASN 31 Ca 0.23 2.22 -0.00 0.00 0.42 0.00 0.00 52.86 55.73 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 0.52 -1.17 0.11 0.61 -3.72 0.00 0.00 177.10 173.45 1i6e n GLY 32 N 4.59 0.60 0.09 1.21 0.00 -0.68 -4.90 105.19 106.12 1i6e n GLY 32 Ca 0.20 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.08 1.21 -2.58 1.61 3.14 -1.22 -4.54 118.33 113.87 1i6e n VAL 33 Ca -0.01 -0.72 -0.41 0.00 -2.96 0.00 0.00 64.34 60.24 1i6e n VAL 33 Cb 0.51 -0.61 -0.03 0.00 -1.06 0.00 0.00 33.84 32.65 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 -2.43 3.80 0.00 1.55 1.01 -1.26 -1.46 120.40 121.61 1i6e s VAL 34 Ca -0.11 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1i6e s VAL 34 Cb 0.05 -4.89 0.00 0.00 0.00 0.00 0.00 36.38 31.55 1i6e s VAL 34 CO 0.70 -1.79 0.00 0.61 0.00 0.00 0.00 175.10 174.62 1i6e n GLY 35 N 5.36 2.88 3.78 4.51 0.00 -0.09 -4.98 105.19 116.66 1i6e n GLY 35 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.54 3.98 0.36 1.61 3.52 -0.54 -4.61 118.95 122.73 1i6e s ARG 36 Ca 0.00 1.60 -0.27 0.00 -0.13 0.00 0.00 55.73 56.93 1i6e s ARG 36 Cb 0.00 -2.45 -0.12 0.00 -1.56 0.00 0.00 34.95 30.82 1i6e s ARG 36 CO 0.00 -0.32 1.19 2.41 -0.81 0.00 0.00 175.30 177.76 1i6e n THR 37 N -0.30 2.16 -2.05 4.11 -1.04 -1.26 -0.30 114.28 115.59 1i6e n THR 37 Ca 0.06 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.15 1i6e n THR 37 Cb 0.49 -1.39 -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 -1.13 3.63 -0.59 12.58 1.01 -0.67 -2.14 120.40 133.08 1i6e s VAL 38 Ca 0.58 0.72 -0.03 0.00 0.00 0.00 0.00 61.98 63.25 1i6e s VAL 38 Cb -0.58 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1i6e s VAL 38 CO 0.60 -0.20 0.52 0.00 0.00 0.00 0.00 175.10 176.03 1i6e n ALA 39 N 8.15 -1.75 -0.05 5.51 0.00 -1.26 -4.42 120.51 126.70 1i6e n ALA 39 Ca 0.19 0.07 -0.01 0.00 0.00 0.00 0.00 53.44 53.69 1i6e n ALA 39 Cb 0.44 -3.21 -0.12 0.00 0.00 0.00 0.00 19.45 16.56 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 -1.36 -0.73 3.53 0.00 0.00 -0.91 -4.87 105.19 100.86 1i6e n GLY 40 Ca -0.03 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.65 3.97 0.06 1.61 1.01 -1.26 -4.95 120.40 118.18 1i6e s VAL 41 Ca -0.07 -0.38 -0.31 0.00 0.00 0.00 0.00 61.98 61.22 1i6e s VAL 41 Cb 0.07 -4.94 -0.07 0.00 0.00 0.00 0.00 36.38 31.43 1i6e s VAL 41 CO 0.63 -1.82 1.47 -0.62 0.00 0.00 0.00 175.10 174.76 1i6e s ASP 42 N 4.27 6.77 0.00 3.32 2.15 -1.26 -2.37 116.67 129.55 1i6e s ASP 42 Ca 0.38 2.29 0.00 0.00 0.43 0.00 0.00 52.55 55.65 1i6e s ASP 42 Cb -0.05 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1i6e s ASP 42 CO 0.01 -0.75 0.00 0.61 -0.17 0.00 0.00 175.17 174.87 1i6e n GLY 43 N 3.70 3.21 3.64 2.66 0.00 -1.26 -5.08 105.19 112.06 1i6e n GLY 43 Ca 0.13 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 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 3.08 -0.76 1.61 5.36 -1.00 -5.01 117.98 121.27 1i6e s PHE 44 Ca 0.00 1.16 -0.27 0.00 -0.96 0.00 0.00 56.93 56.86 1i6e s PHE 44 Cb 0.00 -3.69 0.03 0.00 -0.34 0.00 0.00 43.02 39.01 1i6e s PHE 44 CO 0.00 -0.92 1.37 1.21 -1.46 0.00 0.00 175.22 175.42 1i6e s ASN 45 N 1.80 6.09 0.91 6.13 2.47 -1.26 -4.87 114.94 126.20 1i6e s ASN 45 Ca 0.47 -0.47 -0.11 0.00 0.42 0.00 0.00 52.86 53.17 1i6e s ASN 45 Cb -0.13 -2.56 0.14 0.00 -1.45 0.00 0.00 41.25 37.25 1i6e s ASN 45 CO 0.16 -1.88 1.10 -0.31 -3.72 0.00 0.00 177.10 172.45 1i6e s TYR 46 N 6.08 1.99 0.76 0.43 1.51 -1.26 -5.04 117.35 121.81 1i6e s TYR 46 Ca 0.40 1.51 -0.12 0.00 -1.01 0.00 0.00 57.07 57.85 1i6e s TYR 46 Cb -0.08 -3.19 0.05 0.00 -0.11 0.00 0.00 41.96 38.64 1i6e s TYR 46 CO 0.13 -2.62 1.11 -1.54 -1.11 0.00 0.00 175.55 171.51 1i6e s SER 47 N -3.02 4.47 0.14 2.29 1.04 -1.26 -4.77 113.70 112.59 1i6e s SER 47 Ca 0.65 1.92 -0.19 0.00 0.48 0.00 0.00 55.95 58.81 1i6e s SER 47 Cb -0.20 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.41 1i6e s SER 47 CO 0.58 -2.06 1.69 -0.78 0.98 0.00 0.00 173.24 173.65 1i6e h ASP 48 N -0.91 -0.27 0.50 7.02 3.58 -1.97 -0.69 116.42 123.68 1i6e h ASP 48 Ca -0.44 0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.06 1i6e h ASP 48 Cb 1.24 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.46 1i6e h ASP 48 CO 0.51 -0.09 -0.17 1.55 -2.88 0.00 0.00 179.24 178.15 1i6e h PRO 49 N 0.00 0.00 -0.08 0.28 0.13 -1.87 -0.22 132.00 130.24 1i6e h PRO 49 Ca 0.14 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1i6e h PRO 49 Cb 0.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.34 1i6e h PRO 49 CO -0.30 0.17 0.01 1.98 -0.23 0.00 0.00 178.00 179.63 1i6e h MET 50 N 0.00 0.13 -0.65 0.86 1.85 -1.73 -2.23 114.93 113.17 1i6e h MET 50 Ca -0.00 -0.04 0.03 0.00 -0.61 0.00 0.00 59.70 59.08 1i6e h MET 50 Cb 0.47 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.44 1i6e h MET 50 CO 0.02 0.37 0.41 0.87 -0.40 0.00 0.00 176.91 178.18 1i6e h LYS 51 N -0.12 0.78 0.00 0.39 1.57 -1.04 -3.14 116.57 115.00 1i6e h LYS 51 Ca 0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1i6e h LYS 51 Cb 0.30 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1i6e h LYS 51 CO 0.00 0.51 0.00 0.00 -0.57 0.00 0.00 179.45 179.40 1i6e h ALA 52 N 1.27 1.00 0.48 3.86 0.00 -1.12 -3.37 119.26 121.38 1i6e h ALA 52 Ca 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1i6e h ALA 52 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1i6e h ALA 52 CO -0.10 0.00 -0.23 1.25 0.00 0.00 0.00 179.25 180.17 1i6e h HIS 53 N 0.00 -0.60 -0.11 0.00 6.17 -1.35 -3.50 115.15 115.77 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 0.46 0.20 -0.00 0.00 2.52 0.00 0.00 27.41 30.59 1i6e h HIS 53 CO 0.00 -0.31 -0.02 0.41 0.71 0.00 0.00 177.93 178.72 1i6e n GLY 54 N -0.99 -1.42 7.00 5.26 0.00 -1.26 -5.07 105.19 108.71 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 -1.38 -0.04 3.14 -0.02 0.00 -1.26 -4.55 105.19 101.09 1i6e n GLY 55 Ca 0.00 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 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 1.26 -1.25 1.61 1.01 -1.26 -1.67 116.67 112.37 1i6e s ASP 56 Ca 0.00 -0.71 -0.19 0.00 0.71 0.00 0.00 52.55 52.36 1i6e s ASP 56 Cb 0.00 0.02 0.01 0.00 1.01 0.00 0.00 42.92 43.95 1i6e s ASP 56 CO 0.00 -0.23 1.85 0.79 0.21 0.00 0.00 175.17 177.79 1i6e n TRP 57 N 0.92 3.84 -1.76 4.23 7.02 0.59 -4.81 117.44 127.48 1i6e n TRP 57 Ca -0.19 -2.37 -0.32 0.00 -1.02 0.00 0.00 57.50 53.60 1i6e n TRP 57 Cb 0.56 -2.58 0.04 0.00 -2.42 0.00 0.00 31.31 26.91 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 6.31 3.84 0.53 -0.99 -4.23 -1.26 -0.91 115.64 118.93 1i6e s THR 58 Ca 0.58 0.72 0.20 0.00 -1.18 0.00 0.00 61.69 62.01 1i6e s THR 58 Cb 0.04 -3.34 0.31 0.00 1.34 0.00 0.00 72.50 70.85 1i6e s THR 58 CO 0.09 -0.66 2.14 1.55 -0.54 0.00 0.00 174.62 177.20 1i6e h PRO 59 N -0.21 0.00 0.51 3.99 0.13 -1.95 -0.82 132.00 133.65 1i6e h PRO 59 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1i6e h PRO 59 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1i6e h PRO 59 CO 0.56 0.00 -0.24 1.49 -0.23 0.00 0.00 178.00 179.58 1i6e h GLU 60 N 0.00 -0.66 -0.90 0.86 4.81 -2.00 -3.20 114.58 113.49 1i6e h GLU 60 Ca 0.05 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1i6e h GLU 60 Cb 0.19 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 1i6e h GLU 60 CO -0.00 -0.36 0.60 0.00 -0.73 0.00 0.00 179.01 178.52 1i6e h ALA 61 N -0.57 1.36 -0.99 2.92 0.00 -1.81 -2.85 119.26 117.31 1i6e h ALA 61 Ca -0.07 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1i6e h ALA 61 Cb 0.61 -0.37 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1i6e h ALA 61 CO 0.11 0.60 0.63 -0.07 0.00 0.00 0.00 179.25 180.52 1i6e h LEU 62 N 1.22 0.98 -0.86 0.00 3.38 -1.32 -2.78 115.31 115.94 1i6e h LEU 62 Ca 0.33 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.39 1i6e h LEU 62 Cb -0.14 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.36 1i6e h LEU 62 CO -0.07 0.59 0.53 1.56 0.09 0.00 0.00 178.44 181.14 1i6e h GLN 63 N 1.10 0.92 0.47 1.13 4.20 -1.50 -0.08 115.11 121.36 1i6e h GLN 63 Ca 0.45 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 59.08 1i6e h GLN 63 Cb 0.27 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1i6e h GLN 63 CO -0.20 0.61 -0.23 0.93 -0.67 0.00 0.00 178.83 179.27 1i6e h GLU 64 N 0.95 -0.61 -0.85 1.46 3.07 -1.57 -1.72 114.58 115.32 1i6e h GLU 64 Ca 0.38 0.04 0.02 0.00 -0.50 0.00 0.00 59.36 59.30 1i6e h GLU 64 Cb 0.21 0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.21 1i6e h GLU 64 CO -0.19 -0.32 0.56 0.35 -1.40 0.00 0.00 179.01 178.01 1i6e h PHE 65 N -0.83 1.05 0.00 4.33 3.57 -1.50 -2.42 116.94 121.15 1i6e h PHE 65 Ca -0.06 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 1i6e h PHE 65 Cb 0.57 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1i6e h PHE 65 CO -0.00 0.65 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.40 1i6e h LEU 66 N 1.12 0.00 0.20 0.59 3.38 -1.11 -2.14 115.31 117.36 1i6e h LEU 66 Ca 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1i6e h LEU 66 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1i6e h LEU 66 CO -0.08 0.25 -0.10 0.74 0.09 0.00 0.00 178.44 179.34 1i6e h THR 67 N 0.00 0.85 -2.27 0.22 2.02 -1.02 0.26 112.91 112.97 1i6e h THR 67 Ca -0.00 -0.27 -0.16 0.00 0.77 0.00 0.00 66.41 66.75 1i6e h THR 67 Cb 0.78 1.02 -0.30 0.00 -1.74 0.00 0.00 68.15 67.91 1i6e h THR 67 CO 0.03 0.06 -0.47 0.21 0.37 0.00 0.00 175.52 175.73 1i6e s ASN 68 N -5.07 0.20 -0.00 4.18 3.84 -0.94 -3.82 114.94 113.33 1i6e s ASN 68 Ca -0.15 0.48 -0.20 0.00 0.21 0.00 0.00 52.86 53.20 1i6e s ASN 68 Cb 0.04 1.07 -0.25 0.00 -0.55 0.00 0.00 41.25 41.56 1i6e s ASN 68 CO 0.63 -0.27 1.07 1.55 -2.79 0.00 0.00 177.10 177.29 1i6e h PRO 69 N 8.21 0.40 -0.78 0.43 0.13 -1.59 -3.13 132.00 135.67 1i6e h PRO 69 Ca -0.17 -0.46 0.09 0.00 -0.87 0.00 0.00 66.00 64.58 1i6e h PRO 69 Cb 1.13 0.14 -0.07 0.00 0.13 0.00 0.00 31.00 32.33 1i6e h PRO 69 CO 0.21 1.13 0.43 0.87 -0.23 0.00 0.00 178.00 180.41 1i6e h LYS 70 N -0.13 0.71 -0.63 0.86 6.56 -1.85 -0.40 116.57 121.67 1i6e h LYS 70 Ca -0.09 -0.04 -0.08 0.00 -1.06 0.00 0.00 60.65 59.38 1i6e h LYS 70 Cb 1.38 -0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 32.86 1i6e h LYS 70 CO 0.13 0.47 0.09 0.00 -2.06 0.00 0.00 179.45 178.07 1i6e h ALA 71 N 1.44 0.96 0.23 3.86 0.00 -1.98 -3.22 119.26 120.54 1i6e h ALA 71 Ca 0.37 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1i6e h ALA 71 Cb 0.35 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1i6e h ALA 71 CO -0.25 0.65 -0.11 0.28 0.00 0.00 0.00 179.25 179.82 1i6e h VAL 72 N 0.98 0.39 -3.28 0.00 2.07 -1.47 -3.41 116.25 111.53 1i6e h VAL 72 Ca 0.19 -0.94 -0.74 0.00 0.82 0.00 0.00 66.70 66.03 1i6e h VAL 72 Cb 0.44 0.67 -0.25 0.00 -1.52 0.00 0.00 31.29 30.63 1i6e h VAL 72 CO 0.01 0.11 -0.34 -0.69 0.02 0.00 0.00 177.57 176.68 1i6e s VAL 73 N -2.99 4.82 -0.95 2.57 1.01 -0.17 -5.04 120.40 119.65 1i6e s VAL 73 Ca -0.09 -1.37 -0.24 0.00 0.00 0.00 0.00 61.98 60.28 1i6e s VAL 73 Cb 0.00 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1i6e s VAL 73 CO 0.30 -0.67 1.69 -0.75 0.00 0.00 0.00 175.10 175.68 1i6e s LYS 74 N 1.53 3.07 0.00 2.72 2.20 -1.22 -2.60 119.74 125.45 1i6e s LYS 74 Ca 0.04 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 54.96 1i6e s LYS 74 Cb -0.26 -5.19 0.00 0.00 -1.51 0.00 0.00 37.83 30.88 1i6e s LYS 74 CO 0.03 -2.78 0.00 0.41 -0.36 0.00 0.00 175.35 172.66 1i6e n GLY 75 N 6.83 1.94 3.73 5.54 0.00 -1.26 -4.80 105.19 117.18 1i6e n GLY 75 Ca 0.36 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 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 3.99 -0.84 2.61 -1.32 -1.07 -4.60 115.64 112.41 1i6e s THR 76 Ca 0.00 1.67 0.00 0.00 -1.21 0.00 0.00 61.69 62.15 1i6e s THR 76 Cb 0.00 -4.07 0.00 0.00 -1.51 0.00 0.00 72.50 66.92 1i6e s THR 76 CO 0.00 0.26 0.48 2.29 -2.21 0.00 0.00 174.62 175.45 1i6e n LYS 77 N 2.61 0.84 -2.87 7.08 2.85 -1.26 -4.78 118.16 122.62 1i6e n LYS 77 Ca 0.03 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.86 1i6e n LYS 77 Cb 0.47 -1.37 -0.04 0.00 -0.65 0.00 0.00 35.03 33.44 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 -0.82 3.19 -1.18 -1.58 1.75 -1.26 -4.99 119.30 114.42 1i6e s MET 78 Ca 0.00 -0.63 -0.17 0.00 -1.25 0.00 0.00 55.69 53.64 1i6e s MET 78 Cb 0.00 -4.15 -0.04 0.00 2.84 0.00 0.00 34.83 33.47 1i6e s MET 78 CO 0.00 -1.65 2.12 0.00 -0.65 0.00 0.00 175.02 174.83 1i6e n ALA 79 N 7.50 4.66 -3.49 4.11 0.00 -1.26 -4.84 120.51 127.20 1i6e n ALA 79 Ca -0.02 -3.63 -0.18 0.00 0.00 0.00 0.00 53.44 49.61 1i6e n ALA 79 Cb 0.46 -3.57 -0.16 0.00 0.00 0.00 0.00 19.45 16.18 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 3.92 0.53 -0.03 0.00 5.36 -1.26 -5.09 117.98 121.39 1i6e s PHE 80 Ca 0.51 -0.10 -0.21 0.00 -0.96 0.00 0.00 56.93 56.17 1i6e s PHE 80 Cb 0.14 -0.49 -0.15 0.00 -0.34 0.00 0.00 43.02 42.18 1i6e s PHE 80 CO -0.01 -0.13 0.93 0.00 -1.46 0.00 0.00 175.22 174.56 1i6e h ALA 81 N 6.97 -0.33 0.00 11.12 0.00 -1.96 -3.41 119.26 131.64 1i6e h ALA 81 Ca -0.38 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1i6e h ALA 81 Cb 1.15 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1i6e h ALA 81 CO 0.48 -0.41 0.00 0.41 0.00 0.00 0.00 179.25 179.73 1i6e n GLY 82 N 0.31 3.58 3.30 0.00 0.00 -1.26 -4.40 105.19 106.72 1i6e n GLY 82 Ca -0.08 -0.87 -0.46 0.00 0.00 0.00 0.00 46.02 44.62 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 6.23 0.25 0.99 1.43 0.91 -4.99 118.68 123.50 1i6e s LEU 83 Ca 0.00 -1.97 0.01 0.00 -1.03 0.00 0.00 54.13 51.14 1i6e s LEU 83 Cb 0.00 -2.19 0.31 0.00 0.03 0.00 0.00 46.19 44.34 1i6e s LEU 83 CO 0.00 -0.79 1.64 1.55 0.23 0.00 0.00 176.35 178.98 1i6e h PRO 84 N 8.63 0.47 -6.52 1.29 0.13 -1.86 -3.38 132.00 130.76 1i6e h PRO 84 Ca -0.22 -0.22 -0.53 0.00 -0.87 0.00 0.00 66.00 64.16 1i6e h PRO 84 Cb 1.08 -0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.23 1i6e h PRO 84 CO 0.97 0.78 0.66 0.15 -0.23 0.00 0.00 178.00 180.33 1i6e s LYS 85 N -4.26 4.36 0.22 0.86 1.02 -1.26 -4.99 119.74 115.70 1i6e s LYS 85 Ca -0.07 1.96 -0.08 0.00 0.02 0.00 0.00 55.97 57.80 1i6e s LYS 85 Cb 0.13 -3.29 0.25 0.00 -0.52 0.00 0.00 37.83 34.39 1i6e s LYS 85 CO 0.80 -0.37 1.83 0.97 -0.92 0.00 0.00 175.35 177.67 1i6e h ILE 86 N 4.37 1.04 -0.41 2.17 2.10 -2.00 -3.08 117.51 121.68 1i6e h ILE 86 Ca -0.42 -0.29 0.07 0.00 1.08 0.00 0.00 64.86 65.31 1i6e h ILE 86 Cb 1.21 0.13 -0.07 0.00 -1.09 0.00 0.00 36.82 37.00 1i6e h ILE 86 CO 0.85 0.15 0.01 1.05 -1.08 0.00 0.00 178.15 179.13 1i6e h GLU 87 N 0.83 0.12 -0.57 2.19 4.11 -1.94 0.12 114.58 119.44 1i6e h GLU 87 Ca 0.32 -0.01 0.08 0.00 0.07 0.00 0.00 59.36 59.82 1i6e h GLU 87 Cb 0.12 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 1i6e h GLU 87 CO -0.15 0.08 0.22 -0.44 0.07 0.00 0.00 179.01 178.79 1i6e h ASP 88 N 0.12 0.25 0.28 3.06 3.32 -1.93 0.11 116.42 121.63 1i6e h ASP 88 Ca 0.20 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 1i6e h ASP 88 Cb 0.29 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1i6e h ASP 88 CO -0.33 0.16 -0.14 0.03 -1.72 0.00 0.00 179.24 177.24 1i6e h ARG 89 N 0.42 -0.37 -0.63 3.56 3.08 -1.42 -2.56 114.38 116.46 1i6e h ARG 89 Ca 0.28 0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.39 1i6e h ARG 89 Cb 0.30 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 1i6e h ARG 89 CO -0.26 -0.05 0.38 0.00 -1.07 0.00 0.00 179.97 178.96 1i6e h ALA 90 N -0.12 0.82 0.24 0.04 0.00 -0.74 -0.05 119.26 119.45 1i6e h ALA 90 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1i6e h ALA 90 Cb 0.48 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1i6e h ALA 90 CO 0.06 0.11 -0.14 -0.91 0.00 0.00 0.00 179.25 178.37 1i6e h ASN 91 N 0.73 -0.34 -0.41 0.00 -0.26 -0.30 -2.22 115.58 112.77 1i6e h ASN 91 Ca 0.26 0.02 0.03 0.00 -0.56 0.00 0.00 56.30 56.05 1i6e h ASN 91 Cb 0.05 0.10 -0.03 0.00 -1.06 0.00 0.00 38.32 37.38 1i6e h ASN 91 CO -0.12 -0.23 0.22 0.25 -1.06 0.00 0.00 177.43 176.49 1i6e h LEU 92 N -0.36 0.33 -0.72 1.61 5.85 -1.40 -1.97 115.31 118.65 1i6e h LEU 92 Ca -0.03 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1i6e h LEU 92 Cb 0.30 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1i6e h LEU 92 CO 0.03 0.23 0.42 0.40 -0.34 0.00 0.00 178.44 179.18 1i6e h ILE 93 N 0.44 1.21 -0.69 4.05 2.04 -1.07 -0.23 117.51 123.27 1i6e h ILE 93 Ca 0.17 -0.48 0.09 0.00 1.00 0.00 0.00 64.86 65.64 1i6e h ILE 93 Cb 0.06 0.23 -0.07 0.00 -0.74 0.00 0.00 36.82 36.31 1i6e h ILE 93 CO -0.11 0.22 0.33 0.00 0.00 0.00 0.00 178.15 178.59 1i6e h ALA 94 N 1.22 0.93 -0.02 1.87 0.00 -1.32 0.44 119.26 122.38 1i6e h ALA 94 Ca 0.25 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1i6e h ALA 94 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1i6e h ALA 94 CO -0.05 -0.06 -0.05 -0.92 0.00 0.00 0.00 179.25 178.17 1i6e h TYR 95 N 0.57 -0.13 0.00 0.00 3.20 -1.08 -2.59 116.97 116.94 1i6e h TYR 95 Ca 0.34 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.18 1i6e h TYR 95 Cb 0.35 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 1i6e h TYR 95 CO -0.11 -0.08 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.09 1i6e h LEU 96 N -0.08 0.00 -0.46 2.82 3.38 -0.92 0.46 115.31 120.49 1i6e h LEU 96 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1i6e h LEU 96 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1i6e h LEU 96 CO -0.07 0.16 0.24 -0.33 0.09 0.00 0.00 178.44 178.54 1i6e h GLU 97 N 0.00 0.65 -0.48 1.13 5.08 -0.90 -3.32 114.58 116.74 1i6e h GLU 97 Ca -0.00 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 1i6e h GLU 97 Cb 0.48 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1i6e h GLU 97 CO 0.02 0.53 -0.04 0.78 -1.00 0.00 0.00 179.01 179.30 1i6e h GLY 98 N 0.61 0.95 -7.62 -3.84 0.00 -1.04 -3.38 103.07 88.75 1i6e h GLY 98 Ca 0.16 -0.73 -0.66 0.00 0.00 0.00 0.00 47.33 46.10 1i6e h GLY 98 CO -0.02 0.67 1.90 1.20 0.00 0.00 0.00 176.54 180.28 1i6e s GLN 99 N -4.93 3.87 0.00 4.80 -1.52 0.11 -5.07 119.66 116.92 1i6e s GLN 99 Ca -0.12 -1.78 0.00 0.00 -1.95 0.00 0.00 55.36 51.51 1i6e s GLN 99 Cb 0.11 -5.43 0.00 0.00 -0.22 0.00 0.00 33.01 27.47 1i6e s GLN 99 CO 0.83 -2.19 0.05 1.04 -0.25 0.00 0.00 175.29 174.77