#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 1.11 -3.75 3.04 0.00 -1.26 -4.13 120.51 115.52 1i6e n ALA 2 Ca 0.00 -2.25 -0.35 0.00 0.00 0.00 0.00 53.44 50.84 1i6e n ALA 2 Cb 0.00 -1.03 -0.13 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.89 5.07 0.48 0.00 -1.08 -1.26 -5.01 116.67 112.96 1i6e s ASP 3 Ca 0.28 -1.77 0.26 0.00 -0.52 0.00 0.00 52.55 50.81 1i6e s ASP 3 Cb 0.36 -1.76 1.12 0.00 -1.46 0.00 0.00 42.92 41.17 1i6e s ASP 3 CO -0.05 -0.42 1.91 1.55 0.52 0.00 0.00 175.17 178.68 1i6e h PRO 4 N 7.98 0.00 -0.22 4.34 0.13 -1.86 -1.96 132.00 140.41 1i6e h PRO 4 Ca -0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.97 1i6e h PRO 4 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1i6e h PRO 4 CO 0.62 0.17 0.09 0.00 -0.23 0.00 0.00 178.00 178.65 1i6e h ALA 5 N 1.83 0.28 -0.92 -0.56 0.00 -1.95 -1.12 119.26 116.81 1i6e h ALA 5 Ca -0.00 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1i6e h ALA 5 Cb 0.62 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1i6e h ALA 5 CO 0.02 -0.14 0.61 0.00 0.00 0.00 0.00 179.25 179.74 1i6e h ALA 6 N 0.94 1.38 -0.67 0.00 0.00 -1.91 -2.91 119.26 116.10 1i6e h ALA 6 Ca 0.07 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1i6e h ALA 6 Cb 0.16 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1i6e h ALA 6 CO -0.01 0.54 0.44 0.78 0.00 0.00 0.00 179.25 181.00 1i6e h GLY 7 N 1.19 0.78 0.95 0.00 0.00 -1.28 -2.36 103.07 102.37 1i6e h GLY 7 Ca 0.36 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.45 1i6e h GLY 7 CO -0.10 0.16 0.01 -2.09 0.00 0.00 0.00 176.54 174.52 1i6e h GLU 8 N 0.58 0.03 -0.85 4.80 4.22 -1.00 -0.13 114.58 122.22 1i6e h GLU 8 Ca 0.30 -0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.75 1i6e h GLU 8 Cb 0.41 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1i6e h GLU 8 CO -0.10 0.02 0.56 1.57 -2.18 0.00 0.00 179.01 178.88 1i6e h LYS 9 N 0.03 1.10 -0.84 1.92 2.10 -1.48 -2.93 116.57 116.47 1i6e h LYS 9 Ca 0.02 -0.07 -0.02 0.00 -2.00 0.00 0.00 60.65 58.59 1i6e h LYS 9 Cb 0.01 -0.25 -0.04 0.00 -0.90 0.00 0.00 32.23 31.06 1i6e h LYS 9 CO -0.03 0.73 0.46 0.28 -2.00 0.00 0.00 179.45 178.89 1i6e h VAL 10 N 1.13 1.24 -0.10 0.07 2.07 -1.40 -2.69 116.25 116.58 1i6e h VAL 10 Ca 0.32 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 67.26 1i6e h VAL 10 Cb -0.10 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1i6e h VAL 10 CO -0.08 0.27 0.18 0.15 0.02 0.00 0.00 177.57 178.11 1i6e h PHE 11 N 1.17 0.00 -1.04 1.57 3.57 -0.83 -2.62 116.94 118.76 1i6e h PHE 11 Ca 0.30 0.00 0.27 0.00 3.53 0.00 0.00 57.97 62.07 1i6e h PHE 11 Cb 0.03 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.68 1i6e h PHE 11 CO 0.01 0.00 0.68 0.78 -2.23 0.00 0.00 178.31 177.55 1i6e h GLY 12 N 0.00 1.05 1.35 2.40 0.00 -1.39 0.11 103.07 106.59 1i6e h GLY 12 Ca 0.05 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.21 1i6e h GLY 12 CO -0.00 -0.12 0.43 0.50 0.00 0.00 0.00 176.54 177.35 1i6e h LYS 13 N 0.35 0.83 0.07 4.80 1.57 -1.65 -3.24 116.57 119.29 1i6e h LYS 13 Ca 0.58 -0.05 -0.24 0.00 -1.87 0.00 0.00 60.65 59.07 1i6e h LYS 13 Cb 1.57 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 1i6e h LYS 13 CO -0.26 0.55 -1.14 0.00 -0.57 0.00 0.00 179.45 178.03 1i6e h LYS 15 N 0.04 0.25 -0.39 0.00 1.57 -0.88 -0.65 116.57 116.50 1i6e h LYS 15 Ca -0.08 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.80 1i6e h LYS 15 Cb 1.88 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 34.12 1i6e h LYS 15 CO 0.17 0.16 0.40 0.00 -0.57 0.00 0.00 179.45 179.61 1i6e h ALA 16 N 1.57 2.12 0.00 3.86 0.00 -1.78 -3.36 119.26 121.67 1i6e h ALA 16 Ca 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1i6e h ALA 16 Cb 1.60 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1i6e h ALA 16 CO -0.17 -0.60 -0.98 0.00 0.00 0.00 0.00 179.25 177.50 1i6e s HIS 18 N -1.98 3.02 0.11 0.00 3.76 -0.34 -1.72 115.29 118.14 1i6e s HIS 18 Ca 0.00 0.02 0.11 0.00 -0.15 0.00 0.00 55.06 55.04 1i6e s HIS 18 Cb 0.00 -1.60 -0.04 0.00 1.11 0.00 0.00 32.58 32.05 1i6e s HIS 18 CO 0.00 0.46 -0.26 0.15 -0.85 0.00 0.00 174.74 174.24 1i6e s LYS 19 N -1.92 1.50 0.00 1.40 1.02 -1.26 -4.28 119.74 116.20 1i6e s LYS 19 Ca 0.23 -1.29 0.17 0.00 0.02 0.00 0.00 55.97 55.09 1i6e s LYS 19 Cb -0.12 -1.93 0.27 0.00 -0.52 0.00 0.00 37.83 35.53 1i6e s LYS 19 CO 0.14 0.46 1.18 1.28 -0.92 0.00 0.00 175.35 177.50 1i6e n LEU 20 N 1.07 2.83 -2.29 3.17 4.77 -1.26 -1.94 117.00 123.34 1i6e n LEU 20 Ca -0.18 -1.39 -0.33 0.00 -0.03 0.00 0.00 56.01 54.08 1i6e n LEU 20 Cb 0.53 -0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.54 1i6e n LEU 20 CO 0.23 0.60 1.23 0.47 -1.33 0.00 0.00 177.39 178.59 1i6e n ASP 21 N 1.01 7.21 -2.33 -1.43 9.92 -1.26 -4.62 116.55 125.05 1i6e n ASP 21 Ca 0.13 -3.78 -0.17 0.00 -0.53 0.00 0.00 54.79 50.44 1i6e n ASP 21 Cb 0.47 -0.87 0.03 0.00 -0.64 0.00 0.00 41.12 40.11 1i6e n ASP 21 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1i6e n GLY 22 N -0.87 -0.20 3.09 0.44 0.00 -1.26 -5.04 105.19 101.34 1i6e n GLY 22 Ca 0.59 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.83 1.42 0.04 1.61 0.02 -1.26 -5.00 114.94 108.94 1i6e s ASN 23 Ca 0.25 -0.31 -0.16 0.00 -1.02 0.00 0.00 52.86 51.62 1i6e s ASN 23 Cb -0.11 -0.13 -0.06 0.00 0.02 0.00 0.00 41.25 40.97 1i6e s ASN 23 CO 0.30 0.09 0.47 -1.81 0.02 0.00 0.00 177.10 176.17 1i6e s ASP 24 N -0.62 6.88 0.00 -1.22 1.01 -1.26 -3.40 116.67 118.06 1i6e s ASP 24 Ca 0.03 1.06 0.00 0.00 0.71 0.00 0.00 52.55 54.35 1i6e s ASP 24 Cb -0.06 -2.28 0.00 0.00 1.01 0.00 0.00 42.92 41.59 1i6e s ASP 24 CO 0.00 0.28 0.00 0.61 0.21 0.00 0.00 175.17 176.28 1i6e n GLY 25 N 1.66 2.49 0.10 0.21 0.00 -1.26 -5.02 105.19 103.36 1i6e n GLY 25 Ca -0.12 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 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 1.56 -1.42 1.61 2.07 -1.78 -3.47 116.25 114.82 1i6e h VAL 26 Ca 0.00 -1.99 -0.45 0.00 0.82 0.00 0.00 66.70 65.08 1i6e h VAL 26 Cb 0.00 2.81 0.03 0.00 -1.52 0.00 0.00 31.29 32.62 1i6e h VAL 26 CO 0.00 0.55 -0.14 -0.83 0.02 0.00 0.00 177.57 177.16 1i6e s GLY 27 N -3.95 1.84 1.06 2.17 0.00 -0.70 -5.02 107.32 102.72 1i6e s GLY 27 Ca -0.16 -1.80 -0.15 0.00 0.00 0.00 0.00 44.72 42.62 1i6e s GLY 27 CO 0.74 -1.47 1.11 2.56 0.00 0.00 0.00 173.10 176.04 1i6e s PRO 28 N -4.58 -0.10 0.04 2.90 0.04 -1.26 -4.67 135.00 127.37 1i6e s PRO 28 Ca 0.59 0.27 -0.30 0.00 0.04 0.00 0.00 61.00 61.60 1i6e s PRO 28 Cb -0.08 -1.70 -0.07 0.00 0.04 0.00 0.00 34.50 32.69 1i6e s PRO 28 CO 0.37 -3.03 1.48 -3.38 0.04 0.00 0.00 177.00 172.48 1i6e s HIS 29 N -3.02 2.77 -2.44 0.56 -3.43 -1.22 -4.08 115.29 104.42 1i6e s HIS 29 Ca 0.67 0.68 0.27 0.00 -0.80 0.00 0.00 55.06 55.88 1i6e s HIS 29 Cb -0.15 -3.76 0.87 0.00 -1.43 0.00 0.00 32.58 28.10 1i6e s HIS 29 CO 0.57 -2.90 1.64 1.28 -2.00 0.00 0.00 174.74 173.33 1i6e n LEU 30 N 5.24 1.63 -4.61 5.38 4.77 -0.82 -4.81 117.00 123.78 1i6e n LEU 30 Ca 0.14 -0.54 -0.43 0.00 -0.03 0.00 0.00 56.01 55.15 1i6e n LEU 30 Cb 0.42 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1i6e n LEU 30 CO 0.60 0.28 1.56 0.54 -1.33 0.00 0.00 177.39 179.03 1i6e s ASN 31 N -2.09 5.95 0.00 -1.43 4.22 -1.26 -3.23 114.94 117.11 1i6e s ASN 31 Ca 0.34 1.56 0.00 0.00 -2.14 0.00 0.00 52.86 52.63 1i6e s ASN 31 Cb 0.21 -2.52 0.00 0.00 1.28 0.00 0.00 41.25 40.21 1i6e s ASN 31 CO 0.36 -1.62 0.00 0.61 -2.04 0.00 0.00 177.10 174.42 1i6e n GLY 32 N 5.27 0.90 0.11 0.45 0.00 -0.10 -4.88 105.19 106.93 1i6e n GLY 32 Ca 0.23 -0.49 -0.14 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 -1.72 1.62 -2.33 1.61 3.14 -1.20 -4.48 118.33 114.97 1i6e n VAL 33 Ca 0.00 -0.74 -0.42 0.00 -2.96 0.00 0.00 64.34 60.23 1i6e n VAL 33 Cb 0.38 -1.22 -0.03 0.00 -1.06 0.00 0.00 33.84 31.91 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 -2.56 3.77 0.00 1.55 1.01 -1.26 -1.19 120.40 121.72 1i6e s VAL 34 Ca -0.14 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1i6e s VAL 34 Cb 0.07 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1i6e s VAL 34 CO 0.78 -1.00 0.00 0.61 0.00 0.00 0.00 175.10 175.49 1i6e n GLY 35 N 5.26 1.14 3.80 4.51 0.00 -0.00 -4.99 105.19 114.91 1i6e n GLY 35 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.82 4.20 0.37 1.61 3.52 -0.33 -4.63 118.95 122.86 1i6e s ARG 36 Ca 0.00 1.26 -0.26 0.00 -0.13 0.00 0.00 55.73 56.60 1i6e s ARG 36 Cb 0.00 -2.32 -0.12 0.00 -1.56 0.00 0.00 34.95 30.95 1i6e s ARG 36 CO 0.00 -0.07 1.16 2.41 -0.81 0.00 0.00 175.30 177.99 1i6e n THR 37 N -0.42 2.23 -2.01 4.11 -1.04 -1.26 -0.41 114.28 115.48 1i6e n THR 37 Ca 0.06 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.15 1i6e n THR 37 Cb 0.52 -1.36 -0.03 0.00 -1.82 0.00 0.00 70.33 67.65 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 3.53 -0.77 12.58 1.01 -0.75 -2.12 120.40 132.73 1i6e s VAL 38 Ca 0.59 0.71 -0.02 0.00 0.00 0.00 0.00 61.98 63.26 1i6e s VAL 38 Cb -0.58 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 1i6e s VAL 38 CO 0.60 -0.05 0.65 0.00 0.00 0.00 0.00 175.10 176.30 1i6e n ALA 39 N 6.85 -1.60 -1.17 5.51 0.00 -1.26 -4.58 120.51 124.26 1i6e n ALA 39 Ca 0.17 0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.72 1i6e n ALA 39 Cb 0.43 -2.88 0.17 0.00 0.00 0.00 0.00 19.45 17.16 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 -1.19 4.86 3.39 0.00 0.00 -0.90 -4.90 105.19 106.44 1i6e n GLY 40 Ca -0.13 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.95 4.80 -0.98 1.61 1.01 -1.26 -4.84 120.40 117.77 1i6e s VAL 41 Ca 0.34 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 61.22 1i6e s VAL 41 Cb 0.31 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1i6e s VAL 41 CO 0.02 -0.31 1.82 -0.62 0.00 0.00 0.00 175.10 176.00 1i6e s ASP 42 N 1.72 5.53 0.00 3.32 -1.08 -1.26 -2.45 116.67 122.45 1i6e s ASP 42 Ca 0.03 -1.07 0.00 0.00 -0.52 0.00 0.00 52.55 50.99 1i6e s ASP 42 Cb -0.20 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.69 1i6e s ASP 42 CO 0.07 -2.42 0.00 0.61 0.52 0.00 0.00 175.17 173.95 1i6e n GLY 43 N 6.67 2.27 3.72 2.66 0.00 -1.26 -5.14 105.19 114.10 1i6e n GLY 43 Ca 0.39 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 3.69 -0.58 1.61 5.36 -1.03 -5.04 117.98 121.99 1i6e s PHE 44 Ca 0.00 1.59 -0.28 0.00 -0.96 0.00 0.00 56.93 57.28 1i6e s PHE 44 Cb 0.00 -2.99 0.02 0.00 -0.34 0.00 0.00 43.02 39.72 1i6e s PHE 44 CO 0.00 0.11 1.28 0.54 -1.46 0.00 0.00 175.22 175.69 1i6e s ASN 45 N 0.55 6.33 0.38 6.13 2.20 -1.26 -4.91 114.94 124.36 1i6e s ASN 45 Ca 0.45 0.15 -0.06 0.00 -0.94 0.00 0.00 52.86 52.47 1i6e s ASN 45 Cb -0.21 -2.55 -0.05 0.00 -2.00 0.00 0.00 41.25 36.44 1i6e s ASN 45 CO 0.25 -1.57 0.67 -0.31 -2.94 0.00 0.00 177.10 173.20 1i6e s TYR 46 N 5.37 3.50 0.66 1.54 2.02 -1.26 -5.09 117.35 124.08 1i6e s TYR 46 Ca 0.46 0.76 -0.17 0.00 -0.37 0.00 0.00 57.07 57.75 1i6e s TYR 46 Cb -0.09 -2.22 -0.00 0.00 -0.40 0.00 0.00 41.96 39.25 1i6e s TYR 46 CO 0.25 -0.03 1.22 0.45 -1.57 0.00 0.00 175.55 175.87 1i6e s SER 47 N -3.52 4.69 0.12 2.29 0.15 -1.26 -4.81 113.70 111.35 1i6e s SER 47 Ca 0.46 2.41 -0.20 0.00 0.70 0.00 0.00 55.95 59.32 1i6e s SER 47 Cb -0.10 -2.60 -0.06 0.00 -1.71 0.00 0.00 66.02 61.55 1i6e s SER 47 CO 0.35 -1.94 1.76 0.44 1.20 0.00 0.00 173.24 175.06 1i6e h ASP 48 N 0.33 0.15 0.33 5.45 3.32 -1.99 -0.59 116.42 123.42 1i6e h ASP 48 Ca -0.49 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 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 0.12 -0.11 1.55 -1.72 0.00 0.00 179.24 179.60 1i6e h PRO 49 N 0.21 0.00 -0.09 3.56 0.13 -1.86 -0.44 132.00 133.51 1i6e h PRO 49 Ca 0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.19 1i6e h PRO 49 Cb 0.01 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.14 1i6e h PRO 49 CO -0.05 0.11 0.01 1.98 -0.23 0.00 0.00 178.00 179.82 1i6e h MET 50 N 0.00 0.16 -0.36 0.86 1.85 -1.75 -2.10 114.93 113.58 1i6e h MET 50 Ca -0.00 -0.04 0.05 0.00 -0.61 0.00 0.00 59.70 59.09 1i6e h MET 50 Cb 0.31 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.27 1i6e h MET 50 CO 0.01 0.38 0.10 0.87 -0.40 0.00 0.00 176.91 177.87 1i6e h LYS 51 N -0.09 0.23 0.00 0.39 1.57 -1.01 -3.19 116.57 114.48 1i6e h LYS 51 Ca 0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1i6e h LYS 51 Cb 0.30 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1i6e h LYS 51 CO 0.00 0.16 0.00 0.00 -0.57 0.00 0.00 179.45 179.04 1i6e n ALA 52 N -2.37 1.83 0.13 3.86 0.00 -0.18 -4.14 120.51 119.64 1i6e n ALA 52 Ca 0.02 -0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1i6e n ALA 52 Cb 0.15 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.17 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 -0.27 0.00 0.00 6.17 -1.36 -3.50 115.15 116.19 1i6e h HIS 53 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 1i6e h HIS 53 Cb 0.38 0.09 0.00 0.00 2.52 0.00 0.00 27.41 30.40 1i6e h HIS 53 CO 0.00 -0.04 0.00 0.41 0.71 0.00 0.00 177.93 179.01 1i6e n GLY 54 N -0.72 -1.46 7.00 5.26 0.00 -1.26 -5.07 105.19 108.94 1i6e n GLY 54 Ca -0.09 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.57 0.07 3.15 -0.02 0.00 -1.26 -4.59 105.19 100.97 1i6e n GLY 55 Ca 0.00 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 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 1.25 -1.26 1.61 1.01 -1.26 -1.80 116.67 112.22 1i6e s ASP 56 Ca 0.00 -0.79 -0.19 0.00 0.71 0.00 0.00 52.55 52.28 1i6e s ASP 56 Cb 0.00 0.03 0.01 0.00 1.01 0.00 0.00 42.92 43.98 1i6e s ASP 56 CO 0.00 -0.29 1.88 0.79 0.21 0.00 0.00 175.17 177.76 1i6e n TRP 57 N 0.65 3.85 -1.52 4.23 7.02 0.45 -4.81 117.44 127.30 1i6e n TRP 57 Ca -0.17 -2.49 -0.31 0.00 -1.02 0.00 0.00 57.50 53.51 1i6e n TRP 57 Cb 0.58 -2.55 0.06 0.00 -2.42 0.00 0.00 31.31 26.97 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 5.56 3.87 0.41 -0.99 -4.23 -1.26 -0.82 115.64 118.18 1i6e s THR 58 Ca 0.56 0.62 0.10 0.00 -1.18 0.00 0.00 61.69 61.79 1i6e s THR 58 Cb 0.06 -3.30 0.30 0.00 1.34 0.00 0.00 72.50 70.90 1i6e s THR 58 CO 0.07 -0.79 2.00 1.55 -0.54 0.00 0.00 174.62 176.91 1i6e h PRO 59 N -0.77 0.51 -0.36 3.99 0.13 -1.97 -0.69 132.00 132.85 1i6e h PRO 59 Ca -0.44 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 64.49 1i6e h PRO 59 Cb 1.21 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1i6e h PRO 59 CO 0.56 0.34 -0.43 1.49 -0.23 0.00 0.00 178.00 179.72 1i6e h GLU 60 N 0.53 0.92 -0.55 0.86 4.57 -1.99 -2.11 114.58 116.81 1i6e h GLU 60 Ca 0.25 -0.51 -0.01 0.00 -1.18 0.00 0.00 59.36 57.91 1i6e h GLU 60 Cb 0.31 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.91 1i6e h GLU 60 CO -0.07 1.16 0.30 0.00 -1.18 0.00 0.00 179.01 179.22 1i6e h ALA 61 N 0.76 0.70 -0.69 2.92 0.00 -1.79 -2.45 119.26 118.71 1i6e h ALA 61 Ca 0.05 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1i6e h ALA 61 Cb 1.03 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1i6e h ALA 61 CO 0.10 0.22 0.45 -0.07 0.00 0.00 0.00 179.25 179.96 1i6e h LEU 62 N 0.74 0.77 -0.68 0.00 3.38 -1.24 -1.24 115.31 117.03 1i6e h LEU 62 Ca 0.19 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.25 1i6e h LEU 62 Cb 0.05 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 1i6e h LEU 62 CO -0.03 0.55 0.32 1.56 0.09 0.00 0.00 178.44 180.92 1i6e h GLN 63 N 0.91 0.52 0.39 1.13 4.20 -1.33 0.30 115.11 121.23 1i6e h GLN 63 Ca 0.26 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 1i6e h GLN 63 Cb -0.07 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.60 1i6e h GLN 63 CO -0.07 0.35 -0.19 0.93 -0.67 0.00 0.00 178.83 179.18 1i6e h GLU 64 N 0.54 -0.50 -1.00 1.46 4.39 -1.37 -2.37 114.58 115.74 1i6e h GLU 64 Ca 0.34 0.03 0.02 0.00 0.34 0.00 0.00 59.36 60.09 1i6e h GLU 64 Cb 0.39 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.10 1i6e h GLU 64 CO -0.29 -0.19 0.66 0.35 -1.16 0.00 0.00 179.01 178.39 1i6e h PHE 65 N -0.84 1.25 0.00 4.33 3.57 -1.23 -2.54 116.94 121.47 1i6e h PHE 65 Ca -0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1i6e h PHE 65 Cb 0.54 -0.42 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1i6e h PHE 65 CO 0.02 0.77 0.00 -0.07 -2.23 0.00 0.00 178.31 176.80 1i6e h LEU 66 N 1.33 0.00 0.23 0.59 3.38 -1.06 -1.82 115.31 117.96 1i6e h LEU 66 Ca 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 1i6e h LEU 66 Cb -0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1i6e h LEU 66 CO -0.09 0.00 -0.11 0.74 0.09 0.00 0.00 178.44 179.07 1i6e h THR 67 N 0.00 0.84 -2.21 0.22 2.02 -1.02 0.22 112.91 112.99 1i6e h THR 67 Ca 0.00 -0.61 -0.16 0.00 0.77 0.00 0.00 66.41 66.41 1i6e h THR 67 Cb 0.62 1.18 -0.30 0.00 -1.74 0.00 0.00 68.15 67.91 1i6e h THR 67 CO 0.00 0.13 -0.48 0.21 0.37 0.00 0.00 175.52 175.75 1i6e s ASN 68 N -5.18 0.27 -0.03 4.18 3.84 -1.04 -4.06 114.94 112.93 1i6e s ASN 68 Ca -0.14 0.39 -0.22 0.00 0.21 0.00 0.00 52.86 53.09 1i6e s ASN 68 Cb 0.03 1.04 -0.23 0.00 -0.55 0.00 0.00 41.25 41.54 1i6e s ASN 68 CO 0.58 -0.28 1.07 1.55 -2.79 0.00 0.00 177.10 177.23 1i6e h PRO 69 N 8.21 0.27 0.00 0.43 0.13 -1.54 -2.98 132.00 136.52 1i6e h PRO 69 Ca -0.18 -0.28 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 1i6e h PRO 69 Cb 1.14 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1i6e h PRO 69 CO 0.22 0.98 -0.30 0.87 -0.23 0.00 0.00 178.00 179.55 1i6e h LYS 70 N -0.33 0.00 -0.47 0.86 1.57 -1.85 -0.22 116.57 116.14 1i6e h LYS 70 Ca -0.04 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 1i6e h LYS 70 Cb 1.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 1i6e h LYS 70 CO 0.07 0.30 -0.05 0.00 -0.57 0.00 0.00 179.45 179.20 1i6e h ALA 71 N 1.70 0.64 0.37 3.86 0.00 -1.98 -3.27 119.26 120.59 1i6e h ALA 71 Ca -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1i6e h ALA 71 Cb 0.57 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1i6e h ALA 71 CO 0.04 0.49 -0.18 0.28 0.00 0.00 0.00 179.25 179.88 1i6e h VAL 72 N 0.71 0.32 -3.14 0.00 2.07 -1.36 -3.40 116.25 111.46 1i6e h VAL 72 Ca 0.13 -0.69 -0.75 0.00 0.82 0.00 0.00 66.70 66.20 1i6e h VAL 72 Cb 0.58 0.51 -0.23 0.00 -1.52 0.00 0.00 31.29 30.62 1i6e h VAL 72 CO 0.03 0.07 -0.24 -0.69 0.02 0.00 0.00 177.57 176.77 1i6e s VAL 73 N -3.73 5.21 -0.64 2.57 1.01 -0.11 -5.04 120.40 119.67 1i6e s VAL 73 Ca -0.11 -1.37 -0.27 0.00 0.00 0.00 0.00 61.98 60.23 1i6e s VAL 73 Cb 0.01 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 1i6e s VAL 73 CO 0.37 -0.80 1.70 -0.75 0.00 0.00 0.00 175.10 175.62 1i6e s LYS 74 N 1.64 2.79 0.00 2.72 2.36 -1.23 -2.42 119.74 125.60 1i6e s LYS 74 Ca 0.03 0.38 0.00 0.00 -2.55 0.00 0.00 55.97 53.83 1i6e s LYS 74 Cb -0.28 -4.33 0.00 0.00 -1.05 0.00 0.00 37.83 32.17 1i6e s LYS 74 CO 0.04 -2.56 0.00 0.41 1.55 0.00 0.00 175.35 174.79 1i6e n GLY 75 N 5.61 1.19 3.75 5.54 0.00 -1.26 -4.78 105.19 115.23 1i6e n GLY 75 Ca 0.16 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 3.52 -1.72 2.61 -1.32 -1.01 -4.67 115.64 111.05 1i6e s THR 76 Ca 0.00 1.36 0.00 0.00 -1.21 0.00 0.00 61.69 61.84 1i6e s THR 76 Cb 0.00 -3.87 0.00 0.00 -1.51 0.00 0.00 72.50 67.12 1i6e s THR 76 CO 0.00 0.26 0.73 2.29 -2.21 0.00 0.00 174.62 175.69 1i6e n LYS 77 N 2.01 0.85 -2.26 7.08 2.85 -1.26 -4.76 118.16 122.67 1i6e n LYS 77 Ca 0.02 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.92 1i6e n LYS 77 Cb 0.45 -1.12 -0.03 0.00 -0.65 0.00 0.00 35.03 33.67 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 -1.72 2.92 -1.30 -1.58 1.75 -1.26 -4.94 119.30 113.17 1i6e s MET 78 Ca 0.00 -0.11 -0.17 0.00 -1.25 0.00 0.00 55.69 54.16 1i6e s MET 78 Cb 0.00 -4.66 0.01 0.00 2.84 0.00 0.00 34.83 33.02 1i6e s MET 78 CO 0.00 -2.65 2.00 0.00 -0.65 0.00 0.00 175.02 173.72 1i6e n ALA 79 N 11.52 4.26 -3.73 4.11 0.00 -1.26 -4.71 120.51 130.69 1i6e n ALA 79 Ca 0.23 -3.72 -0.15 0.00 0.00 0.00 0.00 53.44 49.79 1i6e n ALA 79 Cb 0.50 -3.57 -0.15 0.00 0.00 0.00 0.00 19.45 16.22 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 4.47 -0.08 0.01 0.00 5.36 -1.26 -5.09 117.98 121.38 1i6e s PHE 80 Ca 0.53 0.37 -0.25 0.00 -0.96 0.00 0.00 56.93 56.62 1i6e s PHE 80 Cb 0.09 -0.20 -0.17 0.00 -0.34 0.00 0.00 43.02 42.40 1i6e s PHE 80 CO 0.01 -0.16 1.33 0.00 -1.46 0.00 0.00 175.22 174.94 1i6e h ALA 81 N 7.57 -0.24 0.00 11.12 0.00 -1.96 -3.40 119.26 132.35 1i6e h ALA 81 Ca -0.36 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1i6e h ALA 81 Cb 1.13 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1i6e h ALA 81 CO 0.37 -0.47 0.00 0.41 0.00 0.00 0.00 179.25 179.56 1i6e n GLY 82 N -0.29 3.47 3.30 0.00 0.00 -1.26 -4.43 105.19 105.99 1i6e n GLY 82 Ca -0.09 -1.12 -0.46 0.00 0.00 0.00 0.00 46.02 44.36 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 6.18 0.26 0.99 1.43 0.78 -5.00 118.68 123.32 1i6e s LEU 83 Ca 0.00 -1.88 0.02 0.00 -1.03 0.00 0.00 54.13 51.24 1i6e s LEU 83 Cb 0.00 -2.19 0.34 0.00 0.03 0.00 0.00 46.19 44.37 1i6e s LEU 83 CO 0.00 -0.82 1.66 1.55 0.23 0.00 0.00 176.35 178.97 1i6e h PRO 84 N 8.75 0.44 -6.50 1.29 0.13 -1.86 -3.40 132.00 130.86 1i6e h PRO 84 Ca -0.26 -0.20 -0.53 0.00 -0.87 0.00 0.00 66.00 64.13 1i6e h PRO 84 Cb 1.09 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.23 1i6e h PRO 84 CO 1.00 0.75 0.68 0.15 -0.23 0.00 0.00 178.00 180.35 1i6e s LYS 85 N -4.27 4.36 0.19 0.86 1.02 -1.26 -4.99 119.74 115.65 1i6e s LYS 85 Ca -0.06 1.94 -0.12 0.00 0.02 0.00 0.00 55.97 57.75 1i6e s LYS 85 Cb 0.13 -3.33 0.18 0.00 -0.52 0.00 0.00 37.83 34.29 1i6e s LYS 85 CO 0.80 -0.39 1.79 0.97 -0.92 0.00 0.00 175.35 177.60 1i6e h ILE 86 N 4.45 0.94 -0.98 2.17 6.09 -2.01 -2.94 117.51 125.23 1i6e h ILE 86 Ca -0.41 -0.19 0.08 0.00 -1.37 0.00 0.00 64.86 62.97 1i6e h ILE 86 Cb 1.21 0.35 -0.07 0.00 0.47 0.00 0.00 36.82 38.77 1i6e h ILE 86 CO 0.85 0.10 0.62 1.05 -3.07 0.00 0.00 178.15 177.70 1i6e h GLU 87 N 0.55 1.05 -0.35 2.19 4.11 -1.96 0.31 114.58 120.48 1i6e h GLU 87 Ca 0.25 -0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.63 1i6e h GLU 87 Cb 0.17 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1i6e h GLU 87 CO -0.18 0.70 0.21 -0.44 0.07 0.00 0.00 179.01 179.36 1i6e h ASP 88 N 1.08 0.34 0.34 3.06 5.19 -1.94 -0.37 116.42 124.12 1i6e h ASP 88 Ca 0.44 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.84 1i6e h ASP 88 Cb 0.27 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1i6e h ASP 88 CO -0.20 0.24 -0.16 0.03 -3.12 0.00 0.00 179.24 176.03 1i6e h ARG 89 N 0.42 -0.43 -0.43 3.56 3.08 -1.33 -2.55 114.38 116.69 1i6e h ARG 89 Ca 0.14 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1i6e h ARG 89 Cb -0.00 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1i6e h ARG 89 CO -0.06 -0.21 0.21 0.00 -1.07 0.00 0.00 179.97 178.84 1i6e h ALA 90 N 0.05 0.56 -0.40 0.04 0.00 -0.97 -0.86 119.26 117.68 1i6e h ALA 90 Ca -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1i6e h ALA 90 Cb 0.42 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1i6e h ALA 90 CO 0.08 0.11 0.22 -0.91 0.00 0.00 0.00 179.25 178.75 1i6e h ASN 91 N 0.56 0.50 -0.62 0.00 2.35 -1.19 -1.34 115.58 115.83 1i6e h ASN 91 Ca 0.15 -0.09 0.08 0.00 -0.55 0.00 0.00 56.30 55.89 1i6e h ASN 91 Cb 0.11 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 38.29 1i6e h ASN 91 CO -0.02 0.44 0.29 0.25 -1.65 0.00 0.00 177.43 176.74 1i6e h LEU 92 N 0.51 0.38 -0.68 1.61 5.85 -1.45 -1.72 115.31 119.81 1i6e h LEU 92 Ca 0.14 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1i6e h LEU 92 Cb 0.05 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1i6e h LEU 92 CO -0.02 0.23 0.38 0.40 -0.34 0.00 0.00 178.44 179.09 1i6e h ILE 93 N 0.53 1.21 -0.69 4.05 2.04 -1.05 0.19 117.51 123.78 1i6e h ILE 93 Ca 0.30 -0.51 0.10 0.00 1.00 0.00 0.00 64.86 65.74 1i6e h ILE 93 Cb 0.28 0.32 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 1i6e h ILE 93 CO -0.24 0.23 0.33 0.00 0.00 0.00 0.00 178.15 178.46 1i6e h ALA 94 N 1.19 0.95 -0.22 1.87 0.00 -1.14 0.56 119.26 122.47 1i6e h ALA 94 Ca 0.24 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1i6e h ALA 94 Cb 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1i6e h ALA 94 CO -0.04 -0.09 0.14 -0.92 0.00 0.00 0.00 179.25 178.35 1i6e h TYR 95 N 0.55 0.27 0.00 0.00 3.20 -1.07 -2.11 116.97 117.81 1i6e h TYR 95 Ca 0.35 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.17 1i6e h TYR 95 Cb 0.39 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1i6e h TYR 95 CO -0.12 0.17 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.26 1i6e h LEU 96 N 0.29 0.00 -0.57 2.82 3.38 -0.83 0.85 115.31 121.26 1i6e h LEU 96 Ca 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1i6e h LEU 96 Cb -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1i6e h LEU 96 CO -0.02 0.24 0.20 -0.33 0.09 0.00 0.00 178.44 178.62 1i6e h GLU 97 N 0.00 0.86 -0.42 1.13 5.08 -0.88 -3.30 114.58 117.06 1i6e h GLU 97 Ca -0.00 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1i6e h GLU 97 Cb 0.59 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1i6e h GLU 97 CO 0.03 0.76 0.21 0.78 -1.00 0.00 0.00 179.01 179.80 1i6e h GLY 98 N 0.78 0.63 -7.40 -3.84 0.00 -1.04 -3.37 103.07 88.84 1i6e h GLY 98 Ca 0.19 -0.30 -0.64 0.00 0.00 0.00 0.00 47.33 46.58 1i6e h GLY 98 CO -0.01 0.29 2.25 -1.06 0.00 0.00 0.00 176.54 178.00 1i6e n GLN 99 N -4.70 2.86 0.00 4.80 1.13 0.26 -5.06 117.38 116.68 1i6e n GLN 99 Ca 0.00 -2.99 0.00 0.00 -1.94 0.00 0.00 57.00 52.07 1i6e n GLN 99 Cb 0.10 -3.47 0.00 0.00 0.11 0.00 0.00 30.24 26.98 1i6e n GLN 99 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66