#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 -0.55 -2.51 -5.12 0.00 -1.25 -4.83 120.51 106.24 1i6e n ALA 2 Ca 0.00 0.16 -0.41 0.00 0.00 0.00 0.00 53.44 53.19 1i6e n ALA 2 Cb 0.00 -2.06 -0.10 0.00 0.00 0.00 0.00 19.45 17.29 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 -2.16 6.12 0.40 0.00 -1.08 -1.26 -4.85 116.67 113.83 1i6e s ASP 3 Ca 0.00 -0.54 0.19 0.00 -0.52 0.00 0.00 52.55 51.68 1i6e s ASP 3 Cb 0.00 -2.17 0.81 0.00 -1.46 0.00 0.00 42.92 40.10 1i6e s ASP 3 CO 0.00 -0.36 1.80 1.55 0.52 0.00 0.00 175.17 178.68 1i6e h PRO 4 N 8.55 0.00 -0.26 4.34 0.13 -1.87 -1.70 132.00 141.20 1i6e h PRO 4 Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 1i6e h PRO 4 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1i6e h PRO 4 CO 0.70 0.34 0.11 0.00 -0.23 0.00 0.00 178.00 178.91 1i6e h ALA 5 N 1.66 0.34 -0.96 -0.56 0.00 -1.95 -1.29 119.26 116.50 1i6e h ALA 5 Ca -0.00 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1i6e h ALA 5 Cb 0.76 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1i6e h ALA 5 CO 0.04 -0.07 0.63 0.00 0.00 0.00 0.00 179.25 179.85 1i6e h ALA 6 N 0.95 1.37 -0.75 0.00 0.00 -1.92 -3.16 119.26 115.76 1i6e h ALA 6 Ca 0.09 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.02 1i6e h ALA 6 Cb 0.17 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 1i6e h ALA 6 CO -0.01 0.54 0.49 0.78 0.00 0.00 0.00 179.25 181.05 1i6e h GLY 7 N 1.22 0.99 0.44 0.00 0.00 -1.15 -1.69 103.07 102.89 1i6e h GLY 7 Ca 0.38 -0.31 0.07 0.00 0.00 0.00 0.00 47.33 47.47 1i6e h GLY 7 CO -0.11 0.23 0.10 -2.09 0.00 0.00 0.00 176.54 174.66 1i6e h GLU 8 N 0.77 0.23 -0.60 4.80 4.57 -1.20 0.38 114.58 123.53 1i6e h GLU 8 Ca 0.32 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.50 1i6e h GLU 8 Cb 0.27 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 1i6e h GLU 8 CO -0.11 0.15 0.39 0.87 -1.18 0.00 0.00 179.01 179.13 1i6e h LYS 9 N 0.24 0.76 -0.74 1.92 1.57 -1.46 -2.94 116.57 115.91 1i6e h LYS 9 Ca 0.22 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1i6e h LYS 9 Cb 0.28 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 1i6e h LYS 9 CO -0.29 0.50 0.48 0.28 -0.57 0.00 0.00 179.45 179.86 1i6e h VAL 10 N 0.78 1.15 -0.29 0.50 2.07 -1.24 -3.09 116.25 116.13 1i6e h VAL 10 Ca 0.22 -0.33 0.08 0.00 0.82 0.00 0.00 66.70 67.50 1i6e h VAL 10 Cb -0.06 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 1i6e h VAL 10 CO -0.06 0.18 0.27 0.15 0.02 0.00 0.00 177.57 178.12 1i6e h PHE 11 N 0.96 0.00 -1.12 1.57 3.57 -0.75 -2.88 116.94 118.30 1i6e h PHE 11 Ca 0.29 0.00 0.31 0.00 3.53 0.00 0.00 57.97 62.10 1i6e h PHE 11 Cb -0.05 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.61 1i6e h PHE 11 CO -0.03 0.00 0.76 0.78 -2.23 0.00 0.00 178.31 177.59 1i6e h GLY 12 N 0.00 0.80 0.87 2.40 0.00 -1.44 0.42 103.07 106.11 1i6e h GLY 12 Ca 0.14 -0.12 0.04 0.00 0.00 0.00 0.00 47.33 47.39 1i6e h GLY 12 CO -0.00 -0.12 0.64 0.50 0.00 0.00 0.00 176.54 177.56 1i6e h LYS 13 N 0.22 1.17 0.05 4.80 1.57 -1.72 -3.27 116.57 119.39 1i6e h LYS 13 Ca 0.61 -0.07 -0.23 0.00 -1.87 0.00 0.00 60.65 59.09 1i6e h LYS 13 Cb 1.89 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.93 1i6e h LYS 13 CO -0.21 0.78 -1.04 0.00 -0.57 0.00 0.00 179.45 178.41 1i6e h LYS 15 N 0.07 0.18 -0.84 0.00 1.57 -1.23 -0.53 116.57 115.79 1i6e h LYS 15 Ca -0.07 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1i6e h LYS 15 Cb 1.73 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.95 1i6e h LYS 15 CO 0.16 0.12 0.55 0.00 -0.57 0.00 0.00 179.45 179.70 1i6e h ALA 16 N 1.78 1.67 0.07 3.86 0.00 -1.81 -3.29 119.26 121.54 1i6e h ALA 16 Ca 0.54 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 55.09 1i6e h ALA 16 Cb 1.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1i6e h ALA 16 CO -0.67 0.17 -1.90 0.00 0.00 0.00 0.00 179.25 176.85 1i6e s HIS 18 N -2.50 2.89 -0.13 0.00 3.76 -0.25 -1.78 115.29 117.29 1i6e s HIS 18 Ca -0.27 -0.62 -0.01 0.00 -0.15 0.00 0.00 55.06 54.02 1i6e s HIS 18 Cb 0.07 -1.92 -0.02 0.00 1.11 0.00 0.00 32.58 31.82 1i6e s HIS 18 CO 0.68 -0.23 -0.12 0.15 -0.85 0.00 0.00 174.74 174.37 1i6e s LYS 19 N 0.57 3.40 0.39 1.40 3.01 -1.25 -4.11 119.74 123.14 1i6e s LYS 19 Ca -0.06 -0.66 0.21 0.00 -1.01 0.00 0.00 55.97 54.45 1i6e s LYS 19 Cb -0.15 -2.66 0.61 0.00 -1.01 0.00 0.00 37.83 34.62 1i6e s LYS 19 CO 0.03 0.23 1.69 -0.07 0.51 0.00 0.00 175.35 177.75 1i6e h LEU 20 N 6.65 0.00 -4.86 3.17 3.38 -1.93 -3.32 115.31 118.39 1i6e h LEU 20 Ca -0.27 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.14 1i6e h LEU 20 Cb 1.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1i6e h LEU 20 CO 0.56 0.31 2.31 0.47 0.09 0.00 0.00 178.44 182.19 1i6e n ASP 21 N -3.35 7.64 -0.99 -0.43 9.92 -1.26 -4.46 116.55 123.63 1i6e n ASP 21 Ca 0.01 -2.72 -0.13 0.00 -0.53 0.00 0.00 54.79 51.42 1i6e n ASP 21 Cb 0.53 -1.46 -0.05 0.00 -0.64 0.00 0.00 41.12 39.50 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 2.73 1.20 3.62 0.44 0.00 -1.26 -5.00 105.19 106.93 1i6e n GLY 22 Ca 0.65 0.00 -0.34 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 -2.43 5.35 -0.23 1.61 0.01 -1.25 -4.88 114.94 113.12 1i6e s ASN 23 Ca 0.00 0.06 -0.16 0.00 -0.71 0.00 0.00 52.86 52.05 1i6e s ASN 23 Cb 0.00 -1.80 -0.03 0.00 0.41 0.00 0.00 41.25 39.83 1i6e s ASN 23 CO 0.00 0.24 0.44 -1.81 -1.51 0.00 0.00 177.10 174.46 1i6e s ASP 24 N -0.03 6.41 0.00 -1.22 1.11 -1.26 -3.33 116.67 118.36 1i6e s ASP 24 Ca 0.04 0.49 0.00 0.00 0.18 0.00 0.00 52.55 53.26 1i6e s ASP 24 Cb -0.13 -2.25 0.00 0.00 1.07 0.00 0.00 42.92 41.62 1i6e s ASP 24 CO 0.02 -0.16 0.00 0.61 1.18 0.00 0.00 175.17 176.81 1i6e n GLY 25 N 4.19 1.07 0.06 0.21 0.00 -1.26 -4.99 105.19 104.47 1i6e n GLY 25 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 1.47 -1.40 1.61 2.07 -1.83 -3.46 116.25 114.71 1i6e h VAL 26 Ca 0.00 -1.45 -0.45 0.00 0.82 0.00 0.00 66.70 65.62 1i6e h VAL 26 Cb 0.00 2.45 0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1i6e h VAL 26 CO 0.00 0.37 -0.28 -0.83 0.02 0.00 0.00 177.57 176.85 1i6e s GLY 27 N -3.45 1.99 1.17 2.17 0.00 -0.73 -5.03 107.32 103.45 1i6e s GLY 27 Ca -0.17 -1.76 -0.18 0.00 0.00 0.00 0.00 44.72 42.62 1i6e s GLY 27 CO 0.67 -1.57 1.11 2.56 0.00 0.00 0.00 173.10 175.87 1i6e s PRO 28 N -4.31 -1.00 -0.12 2.90 0.04 -1.26 -4.56 135.00 126.70 1i6e s PRO 28 Ca 0.53 0.02 -0.29 0.00 0.04 0.00 0.00 61.00 61.29 1i6e s PRO 28 Cb -0.08 -1.62 -0.03 0.00 0.04 0.00 0.00 34.50 32.82 1i6e s PRO 28 CO 0.32 -3.58 1.42 -3.38 0.04 0.00 0.00 177.00 171.82 1i6e s HIS 29 N -3.00 2.50 -1.58 0.56 -3.43 -1.21 -4.05 115.29 105.07 1i6e s HIS 29 Ca 0.70 0.67 0.30 0.00 -0.80 0.00 0.00 55.06 55.93 1i6e s HIS 29 Cb -0.11 -3.67 1.44 0.00 -1.43 0.00 0.00 32.58 28.80 1i6e s HIS 29 CO 0.56 -2.59 1.99 1.28 -2.00 0.00 0.00 174.74 173.98 1i6e n LEU 30 N 6.78 0.20 -4.64 5.38 4.77 -1.26 -4.73 117.00 123.51 1i6e n LEU 30 Ca 0.15 0.14 -0.43 0.00 -0.03 0.00 0.00 56.01 55.84 1i6e n LEU 30 Cb 0.44 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1i6e n LEU 30 CO 0.59 0.04 1.49 0.21 -1.33 0.00 0.00 177.39 178.38 1i6e s ASN 31 N -2.47 6.30 0.00 -1.43 2.47 -1.26 -3.19 114.94 115.36 1i6e s ASN 31 Ca 0.31 1.96 0.00 0.00 0.42 0.00 0.00 52.86 55.54 1i6e s ASN 31 Cb 0.20 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.47 1i6e s ASN 31 CO 0.46 -1.27 0.00 0.61 -3.72 0.00 0.00 177.10 173.17 1i6e n GLY 32 N 4.72 0.95 0.10 1.21 0.00 -0.22 -4.87 105.19 107.08 1i6e n GLY 32 Ca 0.20 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.25 1.47 -2.31 1.61 3.14 -1.19 -4.55 118.33 114.25 1i6e n VAL 33 Ca 0.00 -0.80 -0.43 0.00 -2.96 0.00 0.00 64.34 60.16 1i6e n VAL 33 Cb 0.44 -0.78 -0.02 0.00 -1.06 0.00 0.00 33.84 32.41 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 -2.52 3.82 0.00 1.55 1.01 -1.26 -1.29 120.40 121.71 1i6e s VAL 34 Ca -0.13 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1i6e s VAL 34 Cb 0.07 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1i6e s VAL 34 CO 0.80 -0.79 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1i6e n GLY 35 N 5.17 1.90 3.77 4.51 0.00 -0.12 -5.00 105.19 115.41 1i6e n GLY 35 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.78 4.41 0.44 1.61 3.52 -0.41 -4.56 118.95 123.17 1i6e s ARG 36 Ca 0.00 1.62 -0.26 0.00 -0.13 0.00 0.00 55.73 56.97 1i6e s ARG 36 Cb 0.00 -2.86 -0.09 0.00 -1.56 0.00 0.00 34.95 30.44 1i6e s ARG 36 CO 0.00 0.06 1.41 2.41 -0.81 0.00 0.00 175.30 178.37 1i6e n THR 37 N 0.56 2.66 -2.04 4.11 -1.04 -1.26 -0.31 114.28 116.97 1i6e n THR 37 Ca 0.02 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.11 1i6e n THR 37 Cb 0.47 -1.81 -0.03 0.00 -1.82 0.00 0.00 70.33 67.14 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 -1.18 3.46 -0.95 12.58 1.01 -0.67 -2.08 120.40 132.56 1i6e s VAL 38 Ca 0.60 0.74 -0.02 0.00 0.00 0.00 0.00 61.98 63.30 1i6e s VAL 38 Cb -0.46 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1i6e s VAL 38 CO 0.58 -0.03 0.80 0.00 0.00 0.00 0.00 175.10 176.45 1i6e n ALA 39 N 6.30 -1.83 0.64 5.51 0.00 -1.26 -4.61 120.51 125.25 1i6e n ALA 39 Ca 0.16 0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.68 1i6e n ALA 39 Cb 0.42 -3.06 -0.09 0.00 0.00 0.00 0.00 19.45 16.72 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 -1.17 -0.51 3.48 0.00 0.00 -0.88 -4.84 105.19 101.27 1i6e n GLY 40 Ca -0.18 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.56 4.30 -0.13 1.61 1.01 -1.26 -4.95 120.40 118.41 1i6e s VAL 41 Ca 0.04 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 1i6e s VAL 41 Cb 0.12 -4.80 -0.04 0.00 0.00 0.00 0.00 36.38 31.65 1i6e s VAL 41 CO 0.65 -1.60 1.57 -1.81 0.00 0.00 0.00 175.10 173.90 1i6e s ASP 42 N 3.89 6.61 0.00 3.32 1.01 -1.26 -2.22 116.67 128.02 1i6e s ASP 42 Ca 0.31 1.93 0.00 0.00 0.71 0.00 0.00 52.55 55.49 1i6e s ASP 42 Cb -0.09 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.30 1i6e s ASP 42 CO 0.02 -1.01 0.00 0.61 0.21 0.00 0.00 175.17 174.99 1i6e n GLY 43 N 4.22 3.45 3.66 0.21 0.00 -1.26 -5.09 105.19 110.38 1i6e n GLY 43 Ca 0.17 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 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 3.33 -0.22 1.61 2.19 -0.94 -5.04 117.98 118.90 1i6e s PHE 44 Ca 0.00 1.45 -0.29 0.00 0.33 0.00 0.00 56.93 58.42 1i6e s PHE 44 Cb 0.00 -3.28 -0.00 0.00 -1.31 0.00 0.00 43.02 38.43 1i6e s PHE 44 CO 0.00 -0.55 1.23 1.21 1.83 0.00 0.00 175.22 178.94 1i6e s ASN 45 N 1.25 6.88 0.65 6.13 2.47 -1.26 -4.87 114.94 126.19 1i6e s ASN 45 Ca 0.46 1.47 -0.04 0.00 0.42 0.00 0.00 52.86 55.16 1i6e s ASN 45 Cb -0.16 -2.54 0.05 0.00 -1.45 0.00 0.00 41.25 37.15 1i6e s ASN 45 CO 0.09 -0.85 0.93 -0.31 -3.72 0.00 0.00 177.10 173.23 1i6e s TYR 46 N 3.73 2.90 0.69 0.43 1.51 -1.26 -5.10 117.35 120.24 1i6e s TYR 46 Ca 0.53 0.28 -0.13 0.00 -1.01 0.00 0.00 57.07 56.74 1i6e s TYR 46 Cb -0.19 -3.03 0.01 0.00 -0.11 0.00 0.00 41.96 38.64 1i6e s TYR 46 CO 0.16 -1.21 1.09 -1.54 -1.11 0.00 0.00 175.55 172.93 1i6e s SER 47 N -4.48 5.08 0.14 2.29 1.04 -1.26 -4.83 113.70 111.68 1i6e s SER 47 Ca 0.59 1.87 -0.19 0.00 0.48 0.00 0.00 55.95 58.70 1i6e s SER 47 Cb -0.11 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.49 1i6e s SER 47 CO 0.42 -1.64 1.69 -0.78 0.98 0.00 0.00 173.24 173.91 1i6e h ASP 48 N -0.34 -0.25 0.49 7.02 3.58 -2.00 -0.76 116.42 124.17 1i6e h ASP 48 Ca -0.45 0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.04 1i6e h ASP 48 Cb 1.23 0.16 -0.00 0.00 1.72 0.00 0.00 39.33 42.44 1i6e h ASP 48 CO 0.54 -0.09 -0.16 1.55 -2.88 0.00 0.00 179.24 178.20 1i6e h PRO 49 N -0.00 0.00 -0.09 0.28 0.13 -1.86 0.00 132.00 130.46 1i6e h PRO 49 Ca 0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 1i6e h PRO 49 Cb 0.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.32 1i6e h PRO 49 CO -0.27 0.16 0.01 1.98 -0.23 0.00 0.00 178.00 179.65 1i6e h MET 50 N 0.00 0.16 -0.59 0.86 1.85 -1.75 -2.31 114.93 113.15 1i6e h MET 50 Ca -0.00 -0.05 0.02 0.00 -0.61 0.00 0.00 59.70 59.06 1i6e h MET 50 Cb 0.45 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.42 1i6e h MET 50 CO 0.02 0.39 0.37 0.87 -0.40 0.00 0.00 176.91 178.16 1i6e h LYS 51 N -0.09 0.71 0.00 0.39 1.57 -1.01 -3.12 116.57 115.01 1i6e h LYS 51 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1i6e h LYS 51 Cb 0.31 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1i6e h LYS 51 CO 0.00 0.47 0.00 0.00 -0.57 0.00 0.00 179.45 179.35 1i6e n ALA 52 N -2.28 1.87 0.20 3.86 0.00 -0.03 -4.29 120.51 119.84 1i6e n ALA 52 Ca 0.05 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.30 1i6e n ALA 52 Cb 0.07 -1.33 -0.08 0.00 0.00 0.00 0.00 19.45 18.10 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 -0.45 0.00 0.00 6.17 -1.35 -3.50 115.15 116.03 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 0.36 0.15 0.00 0.00 2.52 0.00 0.00 27.41 30.44 1i6e h HIS 53 CO 0.00 -0.18 0.00 0.41 0.71 0.00 0.00 177.93 178.87 1i6e n GLY 54 N -0.84 -1.40 7.00 5.26 0.00 -1.26 -5.09 105.19 108.86 1i6e n GLY 54 Ca -0.10 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.49 -0.74 3.21 -0.02 0.00 -1.26 -4.60 105.19 100.28 1i6e n GLY 55 Ca 0.00 -1.16 -0.15 0.00 0.00 0.00 0.00 46.02 44.71 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 1.66 -1.25 1.61 1.01 -1.26 -1.68 116.67 112.76 1i6e s ASP 56 Ca 0.00 -0.86 -0.18 0.00 0.71 0.00 0.00 52.55 52.22 1i6e s ASP 56 Cb 0.00 -0.01 -0.00 0.00 1.01 0.00 0.00 42.92 43.92 1i6e s ASP 56 CO 0.00 -0.25 1.93 0.79 0.21 0.00 0.00 175.17 177.85 1i6e n TRP 57 N 0.38 3.62 -1.66 4.23 7.02 0.58 -4.85 117.44 126.77 1i6e n TRP 57 Ca -0.15 -2.46 -0.31 0.00 -1.02 0.00 0.00 57.50 53.57 1i6e n TRP 57 Cb 0.58 -2.49 0.04 0.00 -2.42 0.00 0.00 31.31 27.02 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 5.45 4.06 0.39 -0.99 -4.23 -1.26 -0.95 115.64 118.11 1i6e s THR 58 Ca 0.56 0.67 0.08 0.00 -1.18 0.00 0.00 61.69 61.82 1i6e s THR 58 Cb 0.07 -3.49 0.30 0.00 1.34 0.00 0.00 72.50 70.73 1i6e s THR 58 CO 0.05 -0.88 1.97 1.55 -0.54 0.00 0.00 174.62 176.78 1i6e h PRO 59 N -0.66 0.62 0.13 3.99 0.13 -1.98 0.24 132.00 134.47 1i6e h PRO 59 Ca -0.44 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1i6e h PRO 59 Cb 1.21 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1i6e h PRO 59 CO 0.59 0.41 -0.06 1.49 -0.23 0.00 0.00 178.00 180.19 1i6e h GLU 60 N 0.64 -0.17 -0.50 0.86 4.81 -1.99 -2.20 114.58 116.02 1i6e h GLU 60 Ca 0.30 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1i6e h GLU 60 Cb 0.34 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1i6e h GLU 60 CO -0.10 -0.02 0.33 0.00 -0.73 0.00 0.00 179.01 178.50 1i6e h ALA 61 N 0.56 0.64 -0.01 2.92 0.00 -1.79 -2.22 119.26 119.36 1i6e h ALA 61 Ca -0.02 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1i6e h ALA 61 Cb 0.23 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1i6e h ALA 61 CO 0.03 0.08 -0.14 -0.07 0.00 0.00 0.00 179.25 179.16 1i6e h LEU 62 N 0.68 -0.41 -1.12 0.00 3.38 -1.07 -1.69 115.31 115.09 1i6e h LEU 62 Ca 0.18 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 1i6e h LEU 62 Cb -0.07 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1i6e h LEU 62 CO -0.04 -0.19 0.17 0.06 0.09 0.00 0.00 178.44 178.53 1i6e h GLN 63 N -0.23 0.79 0.42 1.13 -0.00 -1.38 0.57 115.11 116.42 1i6e h GLN 63 Ca 0.05 -0.14 -0.02 0.00 -0.00 0.00 0.00 58.65 58.54 1i6e h GLN 63 Cb 0.30 -0.13 0.00 0.00 -0.00 0.00 0.00 27.48 27.65 1i6e h GLN 63 CO -0.14 0.69 -0.20 0.93 -0.00 0.00 0.00 178.83 180.10 1i6e h GLU 64 N 0.78 -0.55 -0.62 0.06 4.39 -1.42 -1.60 114.58 115.60 1i6e h GLU 64 Ca 0.18 0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.96 1i6e h GLU 64 Cb 0.22 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.95 1i6e h GLU 64 CO -0.01 -0.33 0.36 0.35 -1.16 0.00 0.00 179.01 178.22 1i6e h PHE 65 N -0.64 0.66 0.00 4.33 3.57 -1.21 -2.67 116.94 120.98 1i6e h PHE 65 Ca -0.06 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1i6e h PHE 65 Cb 0.47 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1i6e h PHE 65 CO -0.03 0.34 0.00 1.28 -2.23 0.00 0.00 178.31 177.67 1i6e n LEU 66 N -4.78 0.50 0.17 0.59 4.77 0.18 -1.84 117.00 116.60 1i6e n LEU 66 Ca 0.07 0.60 -0.14 0.00 -0.03 0.00 0.00 56.01 56.51 1i6e n LEU 66 Cb 0.13 -0.51 -0.08 0.00 -2.33 0.00 0.00 43.42 40.64 1i6e n LEU 66 CO 0.30 -0.38 0.64 0.74 -1.33 0.00 0.00 177.39 177.36 1i6e h THR 67 N 0.00 0.72 -1.50 -5.08 2.02 -0.93 0.20 112.91 108.33 1i6e h THR 67 Ca 0.00 -0.37 -0.09 0.00 0.77 0.00 0.00 66.41 66.72 1i6e h THR 67 Cb 0.42 0.91 -0.26 0.00 -1.74 0.00 0.00 68.15 67.48 1i6e h THR 67 CO 0.00 0.08 -0.45 0.21 0.37 0.00 0.00 175.52 175.73 1i6e s ASN 68 N -4.98 -0.32 -0.01 4.18 3.04 -1.18 -3.75 114.94 111.92 1i6e s ASN 68 Ca -0.15 0.07 -0.22 0.00 0.04 0.00 0.00 52.86 52.60 1i6e s ASN 68 Cb 0.03 1.46 -0.21 0.00 -1.54 0.00 0.00 41.25 40.99 1i6e s ASN 68 CO 0.59 -0.32 1.14 1.55 -3.04 0.00 0.00 177.10 177.02 1i6e h PRO 69 N 8.11 0.27 0.00 0.43 0.13 -1.56 -2.68 132.00 136.70 1i6e h PRO 69 Ca -0.12 -0.24 -0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1i6e h PRO 69 Cb 1.15 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1i6e h PRO 69 CO 0.24 0.90 -0.02 0.87 -0.23 0.00 0.00 178.00 179.76 1i6e h LYS 70 N -0.28 0.00 -0.04 0.86 1.57 -1.84 -0.54 116.57 116.30 1i6e h LYS 70 Ca -0.02 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1i6e h LYS 70 Cb 0.97 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 1i6e h LYS 70 CO 0.06 0.02 -0.04 0.00 -0.57 0.00 0.00 179.45 178.92 1i6e h ALA 71 N 1.98 0.06 0.39 3.86 0.00 -1.95 -3.31 119.26 120.28 1i6e h ALA 71 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1i6e h ALA 71 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1i6e h ALA 71 CO 0.00 -0.16 -0.19 0.28 0.00 0.00 0.00 179.25 179.19 1i6e h VAL 72 N -0.37 0.54 -3.31 0.00 2.07 -1.27 -3.39 116.25 110.54 1i6e h VAL 72 Ca 0.01 -0.53 -0.74 0.00 0.82 0.00 0.00 66.70 66.26 1i6e h VAL 72 Cb 0.55 0.77 -0.24 0.00 -1.52 0.00 0.00 31.29 30.85 1i6e h VAL 72 CO 0.01 0.09 -0.34 -0.69 0.02 0.00 0.00 177.57 176.66 1i6e s VAL 73 N -4.66 5.05 -0.75 2.57 1.01 -0.23 -5.05 120.40 118.34 1i6e s VAL 73 Ca -0.14 -1.18 -0.26 0.00 0.00 0.00 0.00 61.98 60.41 1i6e s VAL 73 Cb 0.02 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 1i6e s VAL 73 CO 0.52 -0.60 1.71 -0.75 0.00 0.00 0.00 175.10 175.98 1i6e s LYS 74 N 1.60 2.84 0.00 2.72 2.47 -1.25 -2.66 119.74 125.46 1i6e s LYS 74 Ca 0.04 0.02 0.00 0.00 -1.56 0.00 0.00 55.97 54.47 1i6e s LYS 74 Cb -0.25 -4.61 0.00 0.00 -1.46 0.00 0.00 37.83 31.51 1i6e s LYS 74 CO 0.05 -2.70 0.00 0.41 0.16 0.00 0.00 175.35 173.27 1i6e n GLY 75 N 6.04 1.87 3.74 5.54 0.00 -1.26 -4.78 105.19 116.33 1i6e n GLY 75 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 3.97 -2.00 2.61 -1.32 -1.09 -4.60 115.64 111.22 1i6e s THR 76 Ca 0.00 1.69 0.04 0.00 -1.21 0.00 0.00 61.69 62.21 1i6e s THR 76 Cb 0.00 -4.08 0.11 0.00 -1.51 0.00 0.00 72.50 67.03 1i6e s THR 76 CO 0.00 0.28 0.81 2.29 -2.21 0.00 0.00 174.62 175.79 1i6e n LYS 77 N 2.47 0.61 -2.22 7.08 2.85 -1.26 -4.75 118.16 122.95 1i6e n LYS 77 Ca 0.03 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.90 1i6e n LYS 77 Cb 0.47 -1.10 -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 2.84 -1.31 -1.58 1.75 -1.26 -4.94 119.30 112.79 1i6e s MET 78 Ca 0.06 0.22 -0.17 0.00 -1.25 0.00 0.00 55.69 54.55 1i6e s MET 78 Cb 0.03 -4.40 0.03 0.00 2.84 0.00 0.00 34.83 33.32 1i6e s MET 78 CO 0.05 -2.57 1.98 0.00 -0.65 0.00 0.00 175.02 173.83 1i6e n ALA 79 N 11.61 4.25 -3.63 4.11 0.00 -1.26 -4.72 120.51 130.88 1i6e n ALA 79 Ca 0.16 -3.75 -0.16 0.00 0.00 0.00 0.00 53.44 49.69 1i6e n ALA 79 Cb 0.51 -3.57 -0.16 0.00 0.00 0.00 0.00 19.45 16.23 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 4.37 0.20 -0.01 0.00 5.36 -1.26 -5.10 117.98 121.54 1i6e s PHE 80 Ca 0.52 0.04 -0.23 0.00 -0.96 0.00 0.00 56.93 56.30 1i6e s PHE 80 Cb 0.09 -0.31 -0.15 0.00 -0.34 0.00 0.00 43.02 42.30 1i6e s PHE 80 CO 0.01 -0.10 1.08 0.00 -1.46 0.00 0.00 175.22 174.75 1i6e h ALA 81 N 7.12 -0.43 0.00 11.12 0.00 -1.97 -3.40 119.26 131.70 1i6e h ALA 81 Ca -0.42 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1i6e h ALA 81 Cb 1.14 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1i6e h ALA 81 CO 0.48 -0.53 0.00 0.41 0.00 0.00 0.00 179.25 179.62 1i6e n GLY 82 N -0.06 3.77 3.26 0.00 0.00 -1.26 -4.35 105.19 106.55 1i6e n GLY 82 Ca -0.09 -0.93 -0.44 0.00 0.00 0.00 0.00 46.02 44.56 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 6.06 0.30 0.99 1.43 0.70 -5.00 118.68 123.16 1i6e s LEU 83 Ca 0.00 -2.06 0.06 0.00 -1.03 0.00 0.00 54.13 51.10 1i6e s LEU 83 Cb 0.00 -2.12 0.49 0.00 0.03 0.00 0.00 46.19 44.59 1i6e s LEU 83 CO 0.00 -0.72 1.73 1.55 0.23 0.00 0.00 176.35 179.14 1i6e h PRO 84 N 8.42 0.30 -6.21 1.29 0.13 -1.85 -3.39 132.00 130.69 1i6e h PRO 84 Ca -0.18 -0.12 -0.56 0.00 -0.87 0.00 0.00 66.00 64.26 1i6e h PRO 84 Cb 1.07 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 1i6e h PRO 84 CO 0.91 0.61 0.97 0.15 -0.23 0.00 0.00 178.00 180.40 1i6e s LYS 85 N -4.31 4.13 0.27 0.86 -0.14 -1.26 -4.97 119.74 114.32 1i6e s LYS 85 Ca -0.05 1.68 -0.01 0.00 -1.36 0.00 0.00 55.97 56.23 1i6e s LYS 85 Cb 0.14 -3.85 0.47 0.00 -1.68 0.00 0.00 37.83 32.92 1i6e s LYS 85 CO 0.77 -0.86 1.86 0.97 -0.76 0.00 0.00 175.35 177.33 1i6e h ILE 86 N 5.65 1.00 -0.50 2.17 6.09 -2.00 -2.82 117.51 127.11 1i6e h ILE 86 Ca -0.29 -0.37 0.09 0.00 -1.37 0.00 0.00 64.86 62.92 1i6e h ILE 86 Cb 1.12 -0.17 -0.07 0.00 0.47 0.00 0.00 36.82 38.16 1i6e h ILE 86 CO 0.98 0.20 0.07 1.05 -3.07 0.00 0.00 178.15 177.38 1i6e h GLU 87 N 1.08 0.20 -0.77 2.19 4.11 -1.99 0.02 114.58 119.43 1i6e h GLU 87 Ca 0.46 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.87 1i6e h GLU 87 Cb 0.32 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1i6e h GLU 87 CO -0.22 0.13 0.43 -0.44 0.07 0.00 0.00 179.01 178.98 1i6e h ASP 88 N 0.20 0.95 0.05 3.06 3.32 -1.95 0.33 116.42 122.38 1i6e h ASP 88 Ca 0.25 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1i6e h ASP 88 Cb 0.35 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1i6e h ASP 88 CO -0.35 0.76 -0.02 0.03 -1.72 0.00 0.00 179.24 177.94 1i6e h ARG 89 N 1.06 -0.06 -0.54 3.56 3.08 -1.27 -1.47 114.38 118.73 1i6e h ARG 89 Ca 0.27 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.38 1i6e h ARG 89 Cb 0.02 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 1i6e h ARG 89 CO -0.05 -0.04 0.26 0.00 -1.07 0.00 0.00 179.97 179.08 1i6e h ALA 90 N 0.88 0.69 -0.10 0.04 0.00 -0.98 -0.72 119.26 119.07 1i6e h ALA 90 Ca -0.01 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1i6e h ALA 90 Cb 0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1i6e h ALA 90 CO 0.01 -0.09 -0.17 -0.91 0.00 0.00 0.00 179.25 178.09 1i6e h ASN 91 N 0.51 -0.53 -0.50 0.00 2.35 -0.92 -0.73 115.58 115.76 1i6e h ASN 91 Ca 0.24 0.09 0.04 0.00 -0.55 0.00 0.00 56.30 56.12 1i6e h ASN 91 Cb 0.17 0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.74 1i6e h ASN 91 CO -0.18 -0.23 0.27 0.25 -1.65 0.00 0.00 177.43 175.89 1i6e h LEU 92 N -0.23 0.40 -0.64 1.61 5.85 -1.25 -1.89 115.31 119.16 1i6e h LEU 92 Ca 0.09 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1i6e h LEU 92 Cb 0.36 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1i6e h LEU 92 CO -0.24 0.28 0.21 0.40 -0.34 0.00 0.00 178.44 178.75 1i6e h ILE 93 N 0.52 1.25 -0.74 4.05 2.04 -1.07 -0.11 117.51 123.45 1i6e h ILE 93 Ca 0.21 -0.83 0.10 0.00 1.00 0.00 0.00 64.86 65.34 1i6e h ILE 93 Cb 0.09 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 36.68 1i6e h ILE 93 CO -0.13 0.32 0.38 0.00 0.00 0.00 0.00 178.15 178.72 1i6e h ALA 94 N 1.08 1.04 -0.09 1.87 0.00 -1.10 0.81 119.26 122.87 1i6e h ALA 94 Ca 0.21 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1i6e h ALA 94 Cb 0.28 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1i6e h ALA 94 CO -0.01 -0.03 -0.02 -0.92 0.00 0.00 0.00 179.25 178.28 1i6e h TYR 95 N 0.63 -0.04 0.00 0.00 3.20 -1.12 -2.66 116.97 116.99 1i6e h TYR 95 Ca 0.37 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.18 1i6e h TYR 95 Cb 0.40 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1i6e h TYR 95 CO -0.10 -0.03 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.03 1i6e h LEU 96 N 0.01 0.00 -1.02 2.82 3.38 -0.86 -0.21 115.31 119.42 1i6e h LEU 96 Ca 0.04 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1i6e h LEU 96 Cb 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1i6e h LEU 96 CO -0.09 0.29 0.66 -0.33 0.09 0.00 0.00 178.44 179.06 1i6e h GLU 97 N 0.00 1.26 -0.17 1.13 5.08 -0.86 -3.22 114.58 117.80 1i6e h GLU 97 Ca -0.00 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1i6e h GLU 97 Cb 0.67 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1i6e h GLU 97 CO 0.04 0.84 0.04 0.78 -1.00 0.00 0.00 179.01 179.70 1i6e h GLY 98 N 1.30 0.31 -7.52 -3.84 0.00 -1.06 -3.39 103.07 88.87 1i6e h GLY 98 Ca 0.38 -0.20 -0.56 0.00 0.00 0.00 0.00 47.33 46.96 1i6e h GLY 98 CO -0.10 0.18 1.66 1.20 0.00 0.00 0.00 176.54 179.48 1i6e s GLN 99 N -5.24 3.47 0.00 4.80 -1.52 -0.14 -5.05 119.66 115.99 1i6e s GLN 99 Ca -0.14 -1.44 0.00 0.00 -1.95 0.00 0.00 55.36 51.83 1i6e s GLN 99 Cb 0.06 -5.39 0.00 0.00 -0.22 0.00 0.00 33.01 27.46 1i6e s GLN 99 CO 0.71 -2.66 0.33 1.04 -0.25 0.00 0.00 175.29 174.46