#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 -2.52 3.04 0.00 -1.24 -4.83 120.51 114.42 1i6e n ALA 2 Ca 0.00 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.19 1i6e n ALA 2 Cb 0.00 -2.07 -0.09 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 -2.18 6.17 0.35 0.00 -1.08 -1.26 -4.86 116.67 113.82 1i6e s ASP 3 Ca 0.00 -0.45 0.14 0.00 -0.52 0.00 0.00 52.55 51.72 1i6e s ASP 3 Cb 0.00 -2.20 0.65 0.00 -1.46 0.00 0.00 42.92 39.91 1i6e s ASP 3 CO 0.00 -0.42 1.76 1.55 0.52 0.00 0.00 175.17 178.59 1i6e h PRO 4 N 8.56 0.00 -0.26 4.34 0.13 -1.85 -1.63 132.00 141.28 1i6e h PRO 4 Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1i6e h PRO 4 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1i6e h PRO 4 CO 0.72 0.43 0.13 0.00 -0.23 0.00 0.00 178.00 179.05 1i6e h ALA 5 N 1.57 0.34 -0.63 -0.56 0.00 -1.95 -1.46 119.26 116.57 1i6e h ALA 5 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1i6e h ALA 5 Cb 0.81 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1i6e h ALA 5 CO 0.06 -0.10 0.36 0.00 0.00 0.00 0.00 179.25 179.57 1i6e h ALA 6 N 0.99 1.45 -0.73 0.00 0.00 -1.91 -3.02 119.26 116.03 1i6e h ALA 6 Ca 0.09 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1i6e h ALA 6 Cb 0.12 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1i6e h ALA 6 CO -0.01 0.46 0.48 0.78 0.00 0.00 0.00 179.25 180.96 1i6e h GLY 7 N 0.92 0.93 0.88 0.00 0.00 -1.15 -2.39 103.07 102.25 1i6e h GLY 7 Ca 0.23 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.30 1i6e h GLY 7 CO -0.04 0.18 0.22 -2.09 0.00 0.00 0.00 176.54 174.81 1i6e h GLU 8 N 0.68 0.43 -0.74 4.80 4.81 -1.14 -0.49 114.58 122.93 1i6e h GLU 8 Ca 0.33 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.52 1i6e h GLU 8 Cb 0.40 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1i6e h GLU 8 CO -0.12 0.29 0.39 1.57 -0.73 0.00 0.00 179.01 180.41 1i6e h LYS 9 N 0.45 1.04 -0.70 1.92 2.10 -1.54 -3.11 116.57 116.73 1i6e h LYS 9 Ca 0.16 -0.13 -0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1i6e h LYS 9 Cb 0.03 -0.20 -0.03 0.00 -0.90 0.00 0.00 32.23 31.12 1i6e h LYS 9 CO -0.09 0.79 0.43 0.28 -2.00 0.00 0.00 179.45 178.86 1i6e h VAL 10 N 1.03 1.20 0.00 0.07 2.07 -1.36 -2.48 116.25 116.76 1i6e h VAL 10 Ca 0.26 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1i6e h VAL 10 Cb 0.06 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1i6e h VAL 10 CO -0.04 0.20 0.21 0.15 0.02 0.00 0.00 177.57 178.12 1i6e h PHE 11 N 0.97 0.00 -1.12 1.57 3.57 -1.01 -2.59 116.94 118.33 1i6e h PHE 11 Ca 0.25 0.00 0.33 0.00 3.53 0.00 0.00 57.97 62.08 1i6e h PHE 11 Cb -0.05 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 38.58 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 1.42 1.24 2.40 0.00 -1.49 0.02 103.07 106.66 1i6e h GLY 12 Ca 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 1i6e h GLY 12 CO 0.00 -0.28 0.10 0.50 0.00 0.00 0.00 176.54 176.86 1i6e h LYS 13 N 0.29 0.93 0.12 4.80 1.57 -1.68 -3.36 116.57 119.25 1i6e h LYS 13 Ca 0.69 -0.22 -0.28 0.00 -1.87 0.00 0.00 60.65 58.97 1i6e h LYS 13 Cb 1.85 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 34.04 1i6e h LYS 13 CO -0.39 0.86 -1.28 0.00 -0.57 0.00 0.00 179.45 178.07 1i6e h LYS 15 N 0.07 0.60 -0.72 0.00 2.10 -1.19 -1.26 116.57 116.16 1i6e h LYS 15 Ca -0.14 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 1i6e h LYS 15 Cb 1.97 -0.13 -0.04 0.00 -0.90 0.00 0.00 32.23 33.13 1i6e h LYS 15 CO 0.20 0.40 0.45 0.00 -2.00 0.00 0.00 179.45 178.49 1i6e h ALA 16 N 1.62 1.44 0.13 0.07 0.00 -1.82 -3.30 119.26 117.40 1i6e h ALA 16 Ca 0.36 -0.07 -0.36 0.00 0.00 0.00 0.00 54.91 54.84 1i6e h ALA 16 Cb 0.56 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1i6e h ALA 16 CO -0.13 0.50 -1.95 0.00 0.00 0.00 0.00 179.25 177.66 1i6e s HIS 18 N -2.55 2.86 -0.17 0.00 3.76 -0.50 -1.28 115.29 117.42 1i6e s HIS 18 Ca -0.22 -1.15 -0.06 0.00 -0.15 0.00 0.00 55.06 53.48 1i6e s HIS 18 Cb 0.06 -1.99 -0.04 0.00 1.11 0.00 0.00 32.58 31.72 1i6e s HIS 18 CO 0.77 -0.59 0.04 0.15 -0.85 0.00 0.00 174.74 174.26 1i6e s LYS 19 N 1.22 3.81 0.40 1.40 3.01 -1.25 -4.13 119.74 124.21 1i6e s LYS 19 Ca 0.02 -0.38 0.20 0.00 -1.01 0.00 0.00 55.97 54.80 1i6e s LYS 19 Cb -0.14 -3.11 0.80 0.00 -1.01 0.00 0.00 37.83 34.36 1i6e s LYS 19 CO -0.05 0.32 1.79 -0.07 0.51 0.00 0.00 175.35 177.85 1i6e h LEU 20 N 6.50 0.00 -4.63 3.17 3.38 -1.94 -3.33 115.31 118.46 1i6e h LEU 20 Ca -0.37 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.13 1i6e h LEU 20 Cb 1.18 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.86 1i6e h LEU 20 CO 0.67 0.33 1.44 0.47 0.09 0.00 0.00 178.44 181.44 1i6e n ASP 21 N -3.58 6.93 0.00 -0.43 8.00 -1.26 -4.43 116.55 121.78 1i6e n ASP 21 Ca -0.01 -2.73 0.00 0.00 0.71 0.00 0.00 54.79 52.76 1i6e n ASP 21 Cb 0.46 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 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 2.43 0.03 3.74 0.44 0.00 -1.26 -5.00 105.19 105.58 1i6e n GLY 22 Ca 0.58 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.00 5.99 -0.46 1.61 0.01 -1.26 -4.87 114.94 113.97 1i6e s ASN 23 Ca 0.00 0.25 -0.13 0.00 -0.71 0.00 0.00 52.86 52.27 1i6e s ASN 23 Cb 0.00 -1.98 0.08 0.00 0.41 0.00 0.00 41.25 39.76 1i6e s ASN 23 CO 0.00 0.27 0.35 -1.81 -1.51 0.00 0.00 177.10 174.40 1i6e s ASP 24 N -0.19 5.96 0.00 -1.22 1.01 -1.26 -3.39 116.67 117.58 1i6e s ASP 24 Ca 0.09 -1.44 0.00 0.00 0.71 0.00 0.00 52.55 51.91 1i6e s ASP 24 Cb -0.12 -2.11 0.00 0.00 1.01 0.00 0.00 42.92 41.70 1i6e s ASP 24 CO 0.01 -0.62 0.00 0.61 0.21 0.00 0.00 175.17 175.37 1i6e n GLY 25 N 5.10 0.17 0.14 0.21 0.00 -1.26 -4.94 105.19 104.61 1i6e n GLY 25 Ca -0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 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 1.43 -1.80 1.61 2.07 -1.74 -3.46 116.25 114.36 1i6e h VAL 26 Ca 0.00 -2.09 -0.53 0.00 0.82 0.00 0.00 66.70 64.90 1i6e h VAL 26 Cb 0.00 2.62 -0.06 0.00 -1.52 0.00 0.00 31.29 32.33 1i6e h VAL 26 CO 0.00 0.61 -0.49 -0.83 0.02 0.00 0.00 177.57 176.88 1i6e s GLY 27 N -4.09 1.96 0.53 2.17 0.00 -0.40 -5.02 107.32 102.47 1i6e s GLY 27 Ca -0.13 -1.81 -0.18 0.00 0.00 0.00 0.00 44.72 42.59 1i6e s GLY 27 CO 0.82 -1.71 1.05 2.56 0.00 0.00 0.00 173.10 175.82 1i6e s PRO 28 N -3.93 3.58 -0.24 2.90 0.04 -1.26 -4.48 135.00 131.62 1i6e s PRO 28 Ca 0.40 1.32 -0.40 0.00 0.04 0.00 0.00 61.00 62.37 1i6e s PRO 28 Cb -0.03 -2.06 -0.16 0.00 0.04 0.00 0.00 34.50 32.29 1i6e s PRO 28 CO 0.24 -0.61 1.71 -2.39 0.04 0.00 0.00 177.00 175.99 1i6e n HIS 29 N -1.40 2.01 1.06 0.56 1.44 -1.22 -4.69 115.22 112.99 1i6e n HIS 29 Ca 0.09 0.53 0.14 0.00 -2.01 0.00 0.00 57.72 56.47 1i6e n HIS 29 Cb 0.52 -2.45 0.57 0.00 0.12 0.00 0.00 29.99 28.75 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 5.12 0.11 -4.61 2.39 4.77 -1.25 -4.69 117.00 118.84 1i6e n LEU 30 Ca 0.26 0.37 -0.43 0.00 -0.03 0.00 0.00 56.01 56.17 1i6e n LEU 30 Cb 0.14 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 1i6e n LEU 30 CO 0.79 0.03 1.69 0.21 -1.33 0.00 0.00 177.39 178.78 1i6e s ASN 31 N -2.93 5.78 -0.02 -1.43 2.47 -1.26 -2.92 114.94 114.63 1i6e s ASN 31 Ca 0.16 1.83 -0.00 0.00 0.42 0.00 0.00 52.86 55.26 1i6e s ASN 31 Cb 0.19 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.47 1i6e s ASN 31 CO 0.55 -1.71 0.02 0.61 -3.72 0.00 0.00 177.10 172.85 1i6e n GLY 32 N 5.40 0.66 0.10 1.21 0.00 -0.22 -4.85 105.19 107.49 1i6e n GLY 32 Ca 0.26 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.73 1.38 -2.24 1.61 3.14 -1.15 -4.60 118.33 114.74 1i6e n VAL 33 Ca -0.00 -0.81 -0.42 0.00 -2.96 0.00 0.00 64.34 60.15 1i6e n VAL 33 Cb 0.50 -0.59 -0.03 0.00 -1.06 0.00 0.00 33.84 32.67 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 -2.48 3.67 0.00 1.55 1.01 -1.26 -1.26 120.40 121.63 1i6e s VAL 34 Ca -0.13 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1i6e s VAL 34 Cb 0.06 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1i6e s VAL 34 CO 0.79 -0.86 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1i6e n GLY 35 N 5.33 1.18 3.76 4.51 0.00 0.01 -5.00 105.19 114.97 1i6e n GLY 35 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.83 4.56 0.33 1.61 3.52 -0.39 -4.54 118.95 123.21 1i6e s ARG 36 Ca 0.00 1.90 -0.29 0.00 -0.13 0.00 0.00 55.73 57.21 1i6e s ARG 36 Cb 0.00 -3.15 -0.11 0.00 -1.56 0.00 0.00 34.95 30.13 1i6e s ARG 36 CO 0.00 0.11 1.56 2.41 -0.81 0.00 0.00 175.30 178.57 1i6e n THR 37 N 1.07 1.39 -2.08 4.11 -1.04 -1.26 -0.31 114.28 116.16 1i6e n THR 37 Ca -0.01 -0.35 -0.42 0.00 -2.04 0.00 0.00 64.05 61.23 1i6e n THR 37 Cb 0.44 -1.99 -0.03 0.00 -1.82 0.00 0.00 70.33 66.93 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 -0.42 3.33 -1.26 12.58 1.01 -0.50 -2.04 120.40 133.10 1i6e s VAL 38 Ca 0.60 0.79 -0.06 0.00 0.00 0.00 0.00 61.98 63.30 1i6e s VAL 38 Cb -0.48 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.40 1i6e s VAL 38 CO 0.54 0.01 1.09 0.00 0.00 0.00 0.00 175.10 176.74 1i6e n ALA 39 N 5.23 -1.41 0.71 5.51 0.00 -1.26 -4.68 120.51 124.61 1i6e n ALA 39 Ca 0.14 0.28 0.08 0.00 0.00 0.00 0.00 53.44 53.94 1i6e n ALA 39 Cb 0.42 -4.58 0.02 0.00 0.00 0.00 0.00 19.45 15.31 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 -1.75 0.05 3.53 0.00 0.00 -0.86 -4.91 105.19 101.26 1i6e n GLY 40 Ca -0.06 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.73 4.12 -0.52 1.61 1.01 -1.26 -4.99 120.40 118.64 1i6e s VAL 41 Ca 0.15 0.34 -0.27 0.00 0.00 0.00 0.00 61.98 62.20 1i6e s VAL 41 Cb 0.13 -4.71 -0.01 0.00 0.00 0.00 0.00 36.38 31.79 1i6e s VAL 41 CO 0.34 -1.42 1.69 -0.62 0.00 0.00 0.00 175.10 175.08 1i6e s ASP 42 N 3.26 5.72 0.00 3.32 2.15 -1.26 -2.53 116.67 127.33 1i6e s ASP 42 Ca 0.33 0.57 0.00 0.00 0.43 0.00 0.00 52.55 53.88 1i6e s ASP 42 Cb -0.11 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1i6e s ASP 42 CO 0.18 -1.98 0.00 0.61 -0.17 0.00 0.00 175.17 173.81 1i6e n GLY 43 N 5.47 2.74 3.70 2.66 0.00 -1.26 -5.12 105.19 113.39 1i6e n GLY 43 Ca 0.18 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 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 3.52 -0.59 1.61 5.36 -1.05 -5.05 117.98 121.77 1i6e s PHE 44 Ca 0.00 1.14 -0.27 0.00 -0.96 0.00 0.00 56.93 56.84 1i6e s PHE 44 Cb 0.00 -2.78 0.03 0.00 -0.34 0.00 0.00 43.02 39.93 1i6e s PHE 44 CO 0.00 0.02 1.13 1.21 -1.46 0.00 0.00 175.22 176.13 1i6e s ASN 45 N 0.88 6.38 0.62 6.13 2.47 -1.26 -4.86 114.94 125.29 1i6e s ASN 45 Ca 0.34 -0.11 -0.12 0.00 0.42 0.00 0.00 52.86 53.40 1i6e s ASN 45 Cb -0.17 -2.52 -0.03 0.00 -1.45 0.00 0.00 41.25 37.08 1i6e s ASN 45 CO 0.15 -1.46 1.03 -0.31 -3.72 0.00 0.00 177.10 172.79 1i6e s TYR 46 N 4.78 3.47 0.41 0.43 2.02 -1.26 -5.08 117.35 122.12 1i6e s TYR 46 Ca 0.38 1.35 -0.23 0.00 -0.37 0.00 0.00 57.07 58.20 1i6e s TYR 46 Cb -0.09 -2.77 -0.09 0.00 -0.40 0.00 0.00 41.96 38.60 1i6e s TYR 46 CO 0.22 -0.78 1.01 -1.54 -1.57 0.00 0.00 175.55 172.89 1i6e s SER 47 N -3.91 6.80 0.23 2.29 1.04 -1.26 -4.95 113.70 113.93 1i6e s SER 47 Ca 0.56 1.93 -0.07 0.00 0.48 0.00 0.00 55.95 58.86 1i6e s SER 47 Cb -0.12 -2.57 0.35 0.00 0.10 0.00 0.00 66.02 63.78 1i6e s SER 47 CO 0.51 -0.46 1.76 0.44 0.98 0.00 0.00 173.24 176.47 1i6e h ASP 48 N 2.33 0.37 0.58 7.02 3.32 -1.98 -2.22 116.42 125.84 1i6e h ASP 48 Ca -0.48 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1i6e h ASP 48 Cb 1.21 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1i6e h ASP 48 CO 0.62 0.20 0.00 1.55 -1.72 0.00 0.00 179.24 179.89 1i6e h PRO 49 N 0.52 0.00 -0.20 3.56 0.13 -1.88 -1.20 132.00 132.94 1i6e h PRO 49 Ca 0.35 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.41 1i6e h PRO 49 Cb 0.43 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.55 1i6e h PRO 49 CO -0.31 0.00 -0.15 1.98 -0.23 0.00 0.00 178.00 179.29 1i6e h MET 50 N 0.00 0.46 -0.67 0.86 -1.53 -1.74 -2.07 114.93 110.24 1i6e h MET 50 Ca 0.00 -0.23 0.08 0.00 -3.44 0.00 0.00 59.70 56.11 1i6e h MET 50 Cb 0.29 0.00 -0.06 0.00 -0.55 0.00 0.00 31.60 31.28 1i6e h MET 50 CO 0.00 0.78 0.35 0.87 0.14 0.00 0.00 176.91 179.05 1i6e h LYS 51 N 0.14 0.60 0.00 0.39 1.57 -1.33 -2.91 116.57 115.03 1i6e h LYS 51 Ca 0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1i6e h LYS 51 Cb 0.68 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1i6e h LYS 51 CO 0.04 0.40 0.00 0.00 -0.57 0.00 0.00 179.45 179.32 1i6e h ALA 52 N 1.39 1.00 0.20 3.86 0.00 -1.29 -3.34 119.26 121.08 1i6e h ALA 52 Ca 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1i6e h ALA 52 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1i6e h ALA 52 CO -0.23 0.00 -0.10 1.25 0.00 0.00 0.00 179.25 180.17 1i6e h HIS 53 N 0.00 -0.25 -0.03 0.00 6.17 -1.15 -3.50 115.15 116.39 1i6e h HIS 53 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1i6e h HIS 53 Cb 0.35 0.08 -0.00 0.00 2.52 0.00 0.00 27.41 30.36 1i6e h HIS 53 CO 0.00 0.00 -0.01 0.41 0.71 0.00 0.00 177.93 179.05 1i6e n GLY 54 N -0.60 -2.13 5.93 5.26 0.00 -1.26 -5.06 105.19 107.32 1i6e n GLY 54 Ca -0.09 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.38 0.00 3.21 -0.02 0.00 -1.26 -4.71 105.19 100.03 1i6e n GLY 55 Ca -0.00 -1.15 -0.17 0.00 0.00 0.00 0.00 46.02 44.70 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 1.79 -1.24 1.61 1.01 -1.26 -1.41 116.67 113.17 1i6e s ASP 56 Ca 0.00 -0.75 -0.19 0.00 0.71 0.00 0.00 52.55 52.32 1i6e s ASP 56 Cb 0.00 -0.05 -0.01 0.00 1.01 0.00 0.00 42.92 43.88 1i6e s ASP 56 CO 0.00 -0.15 1.93 0.79 0.21 0.00 0.00 175.17 177.95 1i6e n TRP 57 N 0.77 3.56 -1.59 4.23 7.02 0.57 -4.87 117.44 127.14 1i6e n TRP 57 Ca -0.17 -2.43 -0.31 0.00 -1.02 0.00 0.00 57.50 53.57 1i6e n TRP 57 Cb 0.56 -2.48 0.05 0.00 -2.42 0.00 0.00 31.31 27.03 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 5.53 3.97 0.56 -0.99 -4.23 -1.26 -0.81 115.64 118.41 1i6e s THR 58 Ca 0.56 0.64 0.24 0.00 -1.18 0.00 0.00 61.69 61.95 1i6e s THR 58 Cb 0.07 -3.40 0.33 0.00 1.34 0.00 0.00 72.50 70.84 1i6e s THR 58 CO 0.06 -0.83 2.16 1.55 -0.54 0.00 0.00 174.62 177.01 1i6e h PRO 59 N -0.73 0.00 0.19 3.99 0.13 -1.98 0.00 132.00 133.60 1i6e h PRO 59 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1i6e h PRO 59 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1i6e h PRO 59 CO 0.57 0.00 -0.09 1.49 -0.23 0.00 0.00 178.00 179.74 1i6e h GLU 60 N 0.00 -0.25 -0.62 0.86 4.81 -1.99 -3.01 114.58 114.38 1i6e h GLU 60 Ca 0.05 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1i6e h GLU 60 Cb 0.21 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 1i6e h GLU 60 CO -0.00 0.12 0.38 0.00 -0.73 0.00 0.00 179.01 178.79 1i6e h ALA 61 N -0.01 0.81 0.05 2.92 0.00 -1.79 -2.23 119.26 119.00 1i6e h ALA 61 Ca -0.03 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1i6e h ALA 61 Cb 0.48 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1i6e h ALA 61 CO 0.04 0.13 -0.15 -0.07 0.00 0.00 0.00 179.25 179.20 1i6e h LEU 62 N 0.76 -0.43 -1.25 0.00 3.38 -1.17 -2.02 115.31 114.57 1i6e h LEU 62 Ca 0.25 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 1i6e h LEU 62 Cb 0.02 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1i6e h LEU 62 CO -0.10 -0.22 -0.05 0.06 0.09 0.00 0.00 178.44 178.22 1i6e h GLN 63 N -0.28 0.45 0.58 1.13 3.07 -1.48 0.96 115.11 119.54 1i6e h GLN 63 Ca 0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 58.65 58.65 1i6e h GLN 63 Cb 0.32 -0.06 0.01 0.00 0.08 0.00 0.00 27.48 27.82 1i6e h GLN 63 CO -0.11 0.52 -0.28 0.93 0.09 0.00 0.00 178.83 179.98 1i6e h GLU 64 N 0.43 -0.75 -0.91 0.06 4.39 -1.44 -1.64 114.58 114.72 1i6e h GLU 64 Ca 0.09 0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.88 1i6e h GLU 64 Cb 0.36 0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 29.12 1i6e h GLU 64 CO 0.02 -0.49 0.59 0.35 -1.16 0.00 0.00 179.01 178.32 1i6e h PHE 65 N -0.79 1.10 0.00 4.33 3.57 -1.24 -2.60 116.94 121.31 1i6e h PHE 65 Ca -0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1i6e h PHE 65 Cb 0.60 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1i6e h PHE 65 CO -0.03 0.62 0.00 -0.07 -2.23 0.00 0.00 178.31 176.60 1i6e h LEU 66 N 1.13 0.00 0.36 0.59 3.38 -0.89 -1.87 115.31 118.01 1i6e h LEU 66 Ca 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 1i6e h LEU 66 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1i6e h LEU 66 CO -0.13 0.00 -0.18 0.74 0.09 0.00 0.00 178.44 178.96 1i6e h THR 67 N 0.00 0.62 -2.21 0.22 2.02 -0.90 0.23 112.91 112.90 1i6e h THR 67 Ca 0.00 -0.44 -0.18 0.00 0.77 0.00 0.00 66.41 66.56 1i6e h THR 67 Cb 0.54 0.84 -0.31 0.00 -1.74 0.00 0.00 68.15 67.48 1i6e h THR 67 CO 0.00 0.08 -0.50 0.21 0.37 0.00 0.00 175.52 175.68 1i6e s ASN 68 N -4.94 0.40 0.02 4.18 3.84 -1.15 -3.98 114.94 113.31 1i6e s ASN 68 Ca -0.15 0.29 -0.20 0.00 0.21 0.00 0.00 52.86 53.01 1i6e s ASN 68 Cb 0.03 0.96 -0.18 0.00 -0.55 0.00 0.00 41.25 41.50 1i6e s ASN 68 CO 0.56 -0.29 1.21 1.55 -2.79 0.00 0.00 177.10 177.34 1i6e h PRO 69 N 8.22 0.39 0.00 0.43 0.13 -1.55 -2.91 132.00 136.72 1i6e h PRO 69 Ca -0.18 -0.31 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 1i6e h PRO 69 Cb 1.14 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1i6e h PRO 69 CO 0.24 0.94 -0.32 0.87 -0.23 0.00 0.00 178.00 179.50 1i6e h LYS 70 N -0.06 0.00 -0.43 0.86 1.57 -1.86 0.16 116.57 116.81 1i6e h LYS 70 Ca -0.02 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1i6e h LYS 70 Cb 1.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1i6e h LYS 70 CO 0.07 0.32 0.01 0.00 -0.57 0.00 0.00 179.45 179.28 1i6e h ALA 71 N 1.68 0.57 0.36 3.86 0.00 -1.98 -3.24 119.26 120.51 1i6e h ALA 71 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1i6e h ALA 71 Cb 0.60 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1i6e h ALA 71 CO 0.04 0.35 -0.17 0.28 0.00 0.00 0.00 179.25 179.75 1i6e h VAL 72 N 0.59 0.49 -3.24 0.00 2.07 -1.40 -3.40 116.25 111.36 1i6e h VAL 72 Ca 0.12 -0.67 -0.74 0.00 0.82 0.00 0.00 66.70 66.24 1i6e h VAL 72 Cb 0.48 0.75 -0.27 0.00 -1.52 0.00 0.00 31.29 30.73 1i6e h VAL 72 CO 0.02 0.10 -0.33 -0.69 0.02 0.00 0.00 177.57 176.69 1i6e s VAL 73 N -4.16 4.69 -0.54 2.57 1.01 0.03 -5.05 120.40 118.96 1i6e s VAL 73 Ca -0.13 -1.57 -0.27 0.00 0.00 0.00 0.00 61.98 60.02 1i6e s VAL 73 Cb 0.01 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1i6e s VAL 73 CO 0.46 -0.76 1.83 -0.75 0.00 0.00 0.00 175.10 175.87 1i6e s LYS 74 N 1.49 2.82 0.00 2.72 2.20 -1.22 -2.46 119.74 125.28 1i6e s LYS 74 Ca 0.04 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 56.46 1i6e s LYS 74 Cb -0.27 -4.33 0.00 0.00 -1.51 0.00 0.00 37.83 31.72 1i6e s LYS 74 CO 0.02 -2.49 0.00 0.41 -0.36 0.00 0.00 175.35 172.93 1i6e n GLY 75 N 5.61 1.13 3.74 5.54 0.00 -1.26 -4.82 105.19 115.13 1i6e n GLY 75 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 2.81 -2.00 2.61 -1.32 -1.03 -4.74 115.64 109.97 1i6e s THR 76 Ca 0.00 0.67 0.00 0.00 -1.21 0.00 0.00 61.69 61.16 1i6e s THR 76 Cb 0.00 -3.43 0.01 0.00 -1.51 0.00 0.00 72.50 67.57 1i6e s THR 76 CO 0.00 0.10 0.68 2.29 -2.21 0.00 0.00 174.62 175.48 1i6e n LYS 77 N 2.45 0.66 -2.42 7.08 2.85 -1.26 -4.78 118.16 122.73 1i6e n LYS 77 Ca 0.07 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.91 1i6e n LYS 77 Cb 0.41 -1.01 -0.03 0.00 -0.65 0.00 0.00 35.03 33.75 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 3.25 -1.33 -1.58 1.75 -1.26 -4.96 119.30 113.18 1i6e s MET 78 Ca 0.01 0.29 -0.16 0.00 -1.25 0.00 0.00 55.69 54.58 1i6e s MET 78 Cb 0.00 -4.14 0.01 0.00 2.84 0.00 0.00 34.83 33.54 1i6e s MET 78 CO 0.01 -2.01 2.12 0.00 -0.65 0.00 0.00 175.02 174.48 1i6e n ALA 79 N 9.63 4.86 -3.70 4.11 0.00 -1.26 -4.80 120.51 129.36 1i6e n ALA 79 Ca 0.10 -3.77 -0.17 0.00 0.00 0.00 0.00 53.44 49.60 1i6e n ALA 79 Cb 0.49 -3.56 -0.16 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 3.80 0.36 -0.01 0.00 5.36 -1.26 -5.09 117.98 121.13 1i6e s PHE 80 Ca 0.50 -0.02 -0.24 0.00 -0.96 0.00 0.00 56.93 56.22 1i6e s PHE 80 Cb 0.12 -0.44 -0.16 0.00 -0.34 0.00 0.00 43.02 42.20 1i6e s PHE 80 CO -0.03 -0.14 1.11 0.00 -1.46 0.00 0.00 175.22 174.70 1i6e h ALA 81 N 7.28 -0.34 0.00 11.12 0.00 -1.96 -3.41 119.26 131.95 1i6e h ALA 81 Ca -0.41 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1i6e h ALA 81 Cb 1.13 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1i6e h ALA 81 CO 0.47 -0.46 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1i6e n GLY 82 N 0.02 3.67 3.31 0.00 0.00 -1.26 -4.42 105.19 106.51 1i6e n GLY 82 Ca -0.09 -1.03 -0.45 0.00 0.00 0.00 0.00 46.02 44.45 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 5.98 0.19 0.99 1.43 0.80 -5.00 118.68 123.06 1i6e s LEU 83 Ca 0.00 -1.71 -0.05 0.00 -1.03 0.00 0.00 54.13 51.34 1i6e s LEU 83 Cb 0.00 -2.17 0.10 0.00 0.03 0.00 0.00 46.19 44.15 1i6e s LEU 83 CO 0.00 -0.79 1.52 1.55 0.23 0.00 0.00 176.35 178.86 1i6e h PRO 84 N 8.79 0.66 -6.59 1.29 0.13 -1.85 -3.39 132.00 131.04 1i6e h PRO 84 Ca -0.28 -0.38 -0.52 0.00 -0.87 0.00 0.00 66.00 63.95 1i6e h PRO 84 Cb 1.10 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1i6e h PRO 84 CO 0.97 0.99 0.45 0.15 -0.23 0.00 0.00 178.00 180.33 1i6e s LYS 85 N -4.16 4.60 0.25 0.86 1.02 -1.26 -5.00 119.74 116.04 1i6e s LYS 85 Ca -0.08 1.63 -0.04 0.00 0.02 0.00 0.00 55.97 57.49 1i6e s LYS 85 Cb 0.11 -3.33 0.36 0.00 -0.52 0.00 0.00 37.83 34.46 1i6e s LYS 85 CO 0.85 0.05 1.86 0.97 -0.92 0.00 0.00 175.35 178.16 1i6e h ILE 86 N 4.01 1.05 -0.54 2.17 2.10 -2.01 -3.18 117.51 121.11 1i6e h ILE 86 Ca -0.43 -0.35 0.11 0.00 1.08 0.00 0.00 64.86 65.27 1i6e h ILE 86 Cb 1.21 -0.07 -0.10 0.00 -1.09 0.00 0.00 36.82 36.78 1i6e h ILE 86 CO 0.74 0.19 -0.08 1.05 -1.08 0.00 0.00 178.15 178.97 1i6e h GLU 87 N 1.02 0.04 -0.52 2.19 4.11 -1.98 0.12 114.58 119.56 1i6e h GLU 87 Ca 0.39 -0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.84 1i6e h GLU 87 Cb 0.18 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1i6e h GLU 87 CO -0.18 0.03 0.32 -0.44 0.07 0.00 0.00 179.01 178.81 1i6e h ASP 88 N 0.05 0.51 0.33 3.06 5.19 -1.96 0.51 116.42 124.10 1i6e h ASP 88 Ca 0.27 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.67 1i6e h ASP 88 Cb 0.42 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.82 1i6e h ASP 88 CO -0.52 0.36 -0.16 0.03 -3.12 0.00 0.00 179.24 175.84 1i6e h ARG 89 N 0.63 -0.42 -0.44 3.56 3.08 -1.47 -2.16 114.38 117.15 1i6e h ARG 89 Ca 0.21 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.32 1i6e h ARG 89 Cb 0.01 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1i6e h ARG 89 CO -0.09 -0.20 0.22 0.00 -1.07 0.00 0.00 179.97 178.84 1i6e h ALA 90 N 0.05 0.56 -0.07 0.04 0.00 -0.78 -0.41 119.26 118.65 1i6e h ALA 90 Ca -0.04 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1i6e h ALA 90 Cb 0.42 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1i6e h ALA 90 CO 0.07 -0.13 -0.08 -0.91 0.00 0.00 0.00 179.25 178.20 1i6e h ASN 91 N 0.45 -0.26 -0.54 0.00 2.35 -0.99 -1.54 115.58 115.06 1i6e h ASN 91 Ca 0.19 0.05 0.05 0.00 -0.55 0.00 0.00 56.30 56.04 1i6e h ASN 91 Cb 0.10 0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.54 1i6e h ASN 91 CO -0.13 -0.12 0.26 0.25 -1.65 0.00 0.00 177.43 176.04 1i6e h LEU 92 N -0.11 0.36 -0.74 1.61 5.85 -1.34 -1.96 115.31 118.97 1i6e h LEU 92 Ca 0.06 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1i6e h LEU 92 Cb 0.19 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1i6e h LEU 92 CO -0.14 0.24 0.44 0.40 -0.34 0.00 0.00 178.44 179.04 1i6e h ILE 93 N 0.50 1.21 -0.74 4.05 2.04 -1.04 -0.38 117.51 123.15 1i6e h ILE 93 Ca 0.24 -0.48 0.08 0.00 1.00 0.00 0.00 64.86 65.70 1i6e h ILE 93 Cb 0.18 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 36.38 1i6e h ILE 93 CO -0.18 0.22 0.42 0.00 0.00 0.00 0.00 178.15 178.61 1i6e h ALA 94 N 1.23 1.03 -0.27 1.87 0.00 -1.18 0.82 119.26 122.76 1i6e h ALA 94 Ca 0.26 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1i6e h ALA 94 Cb -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1i6e h ALA 94 CO -0.05 0.07 0.11 -0.92 0.00 0.00 0.00 179.25 178.47 1i6e h TYR 95 N 0.73 0.21 0.00 0.00 3.20 -1.10 -2.44 116.97 117.57 1i6e h TYR 95 Ca 0.35 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.19 1i6e h TYR 95 Cb 0.27 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1i6e h TYR 95 CO -0.07 0.11 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.31 1i6e h LEU 96 N 0.25 0.00 -0.62 2.82 3.38 -0.91 0.37 115.31 120.59 1i6e h LEU 96 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1i6e h LEU 96 Cb 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1i6e h LEU 96 CO -0.10 0.17 0.34 -0.33 0.09 0.00 0.00 178.44 178.62 1i6e h GLU 97 N 0.00 0.87 -0.23 1.13 5.08 -0.82 -3.31 114.58 117.31 1i6e h GLU 97 Ca -0.00 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1i6e h GLU 97 Cb 0.61 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1i6e h GLU 97 CO 0.02 0.66 0.09 0.78 -1.00 0.00 0.00 179.01 179.56 1i6e h GLY 98 N 0.85 0.36 -7.22 -3.84 0.00 -0.99 -3.39 103.07 88.84 1i6e h GLY 98 Ca 0.22 -0.20 -0.50 0.00 0.00 0.00 0.00 47.33 46.85 1i6e h GLY 98 CO -0.03 0.19 1.31 1.20 0.00 0.00 0.00 176.54 179.20 1i6e s GLN 99 N -5.55 3.26 0.00 4.80 -1.52 0.08 -5.05 119.66 115.68 1i6e s GLN 99 Ca -0.14 -0.94 0.00 0.00 -1.95 0.00 0.00 55.36 52.34 1i6e s GLN 99 Cb 0.08 -5.28 0.00 0.00 -0.22 0.00 0.00 33.01 27.59 1i6e s GLN 99 CO 0.71 -2.64 0.12 1.04 -0.25 0.00 0.00 175.29 174.27