#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f6z s GLN 28 N 0.00 2.41 -0.30 -1.58 -1.52 -1.26 -5.13 119.66 112.28 3f6z s GLN 28 Ca 0.00 -1.68 -0.16 0.00 -1.95 0.00 0.00 55.36 51.56 3f6z s GLN 28 Cb 0.00 -2.42 0.18 0.00 -0.22 0.00 0.00 33.01 30.55 3f6z s GLN 28 CO 0.00 -0.54 1.12 0.00 -0.25 0.00 0.00 175.29 175.63 3f6z s ALA 29 N -2.61 -2.64 -0.04 6.09 0.00 -1.26 -5.17 121.76 116.13 3f6z s ALA 29 Ca 0.49 2.04 0.06 0.00 0.00 0.00 0.00 51.96 54.55 3f6z s ALA 29 Cb -0.04 -1.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.11 3f6z s ALA 29 CO 0.30 -0.54 -0.23 -1.14 0.00 0.00 0.00 175.76 174.15 3f6z s GLN 30 N 1.54 2.24 -0.05 0.00 0.74 -1.26 -5.13 119.66 117.74 3f6z s GLN 30 Ca -0.06 -0.83 0.03 0.00 0.05 0.00 0.00 55.36 54.55 3f6z s GLN 30 Cb -0.03 -1.97 0.00 0.00 1.10 0.00 0.00 33.01 32.12 3f6z s GLN 30 CO -0.14 0.39 -0.14 0.08 -0.55 0.00 0.00 175.29 174.94 3f6z s VAL 31 N -0.23 1.18 -0.08 1.34 1.01 -1.26 -5.13 120.40 117.23 3f6z s VAL 31 Ca -0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 3f6z s VAL 31 Cb -0.12 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 3f6z s VAL 31 CO 0.02 0.35 0.26 -1.81 0.00 0.00 0.00 175.10 173.92 3f6z s ASP 32 N 0.26 6.56 -0.02 3.32 1.01 -1.26 -5.10 116.67 121.44 3f6z s ASP 32 Ca -0.07 0.66 0.06 0.00 0.71 0.00 0.00 52.55 53.92 3f6z s ASP 32 Cb -0.12 -2.15 -0.01 0.00 1.01 0.00 0.00 42.92 41.65 3f6z s ASP 32 CO 0.02 0.35 -0.21 -0.31 0.21 0.00 0.00 175.17 175.23 3f6z s TYR 33 N -0.91 1.93 -0.12 4.23 2.02 -1.26 -5.13 117.35 118.11 3f6z s TYR 33 Ca 0.18 -0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 56.44 3f6z s TYR 33 Cb -0.14 -1.25 -0.03 0.00 -0.40 0.00 0.00 41.96 40.14 3f6z s TYR 33 CO 0.08 -0.07 0.02 -1.17 -1.57 0.00 0.00 175.55 172.84 3f6z s LEU 34 N -0.40 3.67 -0.11 -1.29 2.96 -1.26 -5.08 118.68 117.17 3f6z s LEU 34 Ca 0.06 0.14 -0.28 0.00 -0.22 0.00 0.00 54.13 53.83 3f6z s LEU 34 Cb -0.09 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 3f6z s LEU 34 CO -0.00 0.32 0.92 0.00 -1.32 0.00 0.00 176.35 176.26 3f6z s ALA 35 N -0.51 3.41 -0.03 5.97 0.00 -1.26 -5.02 121.76 124.32 3f6z s ALA 35 Ca 0.09 0.25 -0.26 0.00 0.00 0.00 0.00 51.96 52.05 3f6z s ALA 35 Cb -0.12 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 3f6z s ALA 35 CO 0.02 -0.54 0.80 -0.51 0.00 0.00 0.00 175.76 175.53 3f6z s LEU 36 N 1.85 4.35 0.57 0.00 1.43 -1.26 -5.03 118.68 120.59 3f6z s LEU 36 Ca 0.44 1.38 -0.20 0.00 -1.03 0.00 0.00 54.13 54.72 3f6z s LEU 36 Cb -0.18 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 3f6z s LEU 36 CO 0.17 -0.14 1.25 -2.16 0.23 0.00 0.00 176.35 175.70 3f6z s PRO 37 N 0.75 3.06 0.00 1.29 0.04 -1.26 -4.91 135.00 133.96 3f6z s PRO 37 Ca 0.42 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.42 3f6z s PRO 37 Cb -0.19 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.29 3f6z s PRO 37 CO 0.22 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.50 3f6z n GLY 38 N 0.62 -0.76 1.02 0.56 0.00 -1.26 -4.74 105.19 100.63 3f6z n GLY 38 Ca 0.12 -1.67 0.09 0.00 0.00 0.00 0.00 46.02 44.57 3f6z n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f6z n ASP 39 N -1.53 3.39 -4.73 1.61 10.43 -1.26 -5.00 116.55 119.46 3f6z n ASP 39 Ca 0.00 -1.96 -0.34 0.00 2.57 0.00 0.00 54.79 55.05 3f6z n ASP 39 Cb 0.00 -0.32 0.09 0.00 1.84 0.00 0.00 41.12 42.72 3f6z n ASP 39 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3f6z s ALA 40 N -1.09 2.16 0.27 2.24 0.00 -1.26 -4.93 121.76 119.15 3f6z s ALA 40 Ca 0.36 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 52.90 3f6z s ALA 40 Cb 0.19 -3.46 -0.10 0.00 0.00 0.00 0.00 23.12 19.75 3f6z s ALA 40 CO 0.26 -1.81 1.36 0.21 0.00 0.00 0.00 175.76 175.78 3f6z s LYS 41 N -3.88 4.33 -0.12 0.00 2.47 -1.26 -4.79 119.74 116.49 3f6z s LYS 41 Ca 0.74 2.22 -0.13 0.00 -1.56 0.00 0.00 55.97 57.24 3f6z s LYS 41 Cb -0.29 -3.11 -0.05 0.00 -1.46 0.00 0.00 37.83 32.92 3f6z s LYS 41 CO 0.44 -0.29 0.28 -1.17 0.16 0.00 0.00 175.35 174.77 3f6z s LEU 42 N -0.88 4.32 -0.17 5.43 2.96 -1.26 -4.31 118.68 124.77 3f6z s LEU 42 Ca 0.55 0.59 0.01 0.00 -0.22 0.00 0.00 54.13 55.05 3f6z s LEU 42 Cb -0.40 -2.35 0.02 0.00 0.50 0.00 0.00 46.19 43.96 3f6z s LEU 42 CO 0.46 0.21 -0.17 -0.62 -1.32 0.00 0.00 176.35 174.90 3f6z s ASP 43 N -0.14 3.00 -0.02 3.68 2.15 -0.28 -5.00 116.67 120.06 3f6z s ASP 43 Ca 0.17 -0.61 0.06 0.00 0.43 0.00 0.00 52.55 52.60 3f6z s ASP 43 Cb -0.13 -1.36 -0.02 0.00 -0.30 0.00 0.00 42.92 41.10 3f6z s ASP 43 CO 0.06 -0.03 -0.20 -0.89 -0.17 0.00 0.00 175.17 173.94 3f6z s THR 44 N 1.36 2.62 -0.18 1.71 2.01 -1.26 -1.64 115.64 120.27 3f6z s THR 44 Ca 0.05 -0.97 -0.13 0.00 0.31 0.00 0.00 61.69 60.94 3f6z s THR 44 Cb -0.13 -2.00 0.05 0.00 0.01 0.00 0.00 72.50 70.43 3f6z s THR 44 CO -0.12 0.53 0.46 -0.60 -0.69 0.00 0.00 174.62 174.20 3f6z s ARG 45 N -0.83 0.49 -0.15 4.92 3.52 -0.74 -4.99 118.95 121.17 3f6z s ARG 45 Ca 0.11 0.73 -0.05 0.00 -0.13 0.00 0.00 55.73 56.39 3f6z s ARG 45 Cb -0.10 0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.40 3f6z s ARG 45 CO 0.01 -0.10 0.02 -1.12 -0.81 0.00 0.00 175.30 173.30 3f6z s SER 46 N 0.75 5.34 -0.04 -2.12 0.01 -1.26 -0.12 113.70 116.26 3f6z s SER 46 Ca -0.04 0.05 0.03 0.00 1.31 0.00 0.00 55.95 57.30 3f6z s SER 46 Cb -0.05 -1.82 0.01 0.00 0.21 0.00 0.00 66.02 64.37 3f6z s SER 46 CO -0.06 0.23 -0.12 -0.69 0.41 0.00 0.00 173.24 173.01 3f6z s VAL 47 N 0.05 1.04 -0.03 3.43 1.01 0.15 -4.95 120.40 121.10 3f6z s VAL 47 Ca 0.03 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.40 3f6z s VAL 47 Cb -0.13 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 3f6z s VAL 47 CO 0.02 0.32 0.38 -1.81 0.00 0.00 0.00 175.10 174.00 3f6z s ASP 48 N 0.34 6.74 0.28 3.32 1.01 -1.26 -0.35 116.67 126.75 3f6z s ASP 48 Ca -0.07 0.89 0.03 0.00 0.71 0.00 0.00 52.55 54.11 3f6z s ASP 48 Cb -0.12 -2.23 -0.06 0.00 1.01 0.00 0.00 42.92 41.52 3f6z s ASP 48 CO 0.02 0.31 0.04 -0.31 0.21 0.00 0.00 175.17 175.43 3f6z s TYR 49 N -0.91 1.78 -0.11 4.23 2.02 0.11 0.24 117.35 124.71 3f6z s TYR 49 Ca 0.23 -0.97 -0.05 0.00 -0.37 0.00 0.00 57.07 55.91 3f6z s TYR 49 Cb -0.16 -1.10 0.05 0.00 -0.40 0.00 0.00 41.96 40.35 3f6z s TYR 49 CO 0.12 -0.04 0.24 0.21 -1.57 0.00 0.00 175.55 174.50 3f6z s LYS 50 N -3.89 0.17 0.37 -0.62 2.20 -0.75 -2.61 119.74 114.61 3f6z s LYS 50 Ca 0.34 0.58 0.07 0.00 -0.36 0.00 0.00 55.97 56.60 3f6z s LYS 50 Cb 0.07 -0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.26 3f6z s LYS 50 CO 0.13 -0.21 0.36 0.00 -0.36 0.00 0.00 175.35 175.28 3f6z n GLU 52 N -1.50 0.10 -0.27 0.00 2.13 0.33 -1.77 120.64 119.66 3f6z n GLU 52 Ca 0.01 0.15 0.07 0.00 0.66 0.00 0.00 57.16 58.05 3f6z n GLU 52 Cb 0.60 -1.50 0.20 0.00 0.27 0.00 0.00 31.44 31.01 3f6z n GLU 52 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3f6z n ASN 53 N -1.18 3.29 0.00 4.31 6.94 -1.26 -4.97 115.26 122.39 3f6z n ASN 53 Ca 0.03 -2.25 0.00 0.00 -0.02 0.00 0.00 54.58 52.33 3f6z n ASN 53 Cb 0.03 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.12 3f6z n ASN 53 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3f6z n GLY 54 N 0.36 2.79 3.46 4.83 0.00 -0.73 -5.03 105.19 110.88 3f6z n GLY 54 Ca 0.15 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3f6z n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f6z n ARG 55 N 0.00 0.62 -3.69 1.61 1.74 -1.26 -4.67 116.66 111.01 3f6z n ARG 55 Ca 0.00 0.22 -0.17 0.00 -0.77 0.00 0.00 57.85 57.14 3f6z n ARG 55 Cb 0.00 -1.53 -0.16 0.00 -1.02 0.00 0.00 32.46 29.75 3f6z n ARG 55 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3f6z s LYS 56 N -1.59 0.02 0.37 5.56 1.02 -1.26 -1.29 119.74 122.56 3f6z s LYS 56 Ca 0.63 0.47 -0.03 0.00 0.02 0.00 0.00 55.97 57.06 3f6z s LYS 56 Cb -0.61 -0.30 0.01 0.00 -0.52 0.00 0.00 37.83 36.41 3f6z s LYS 56 CO 0.58 -0.28 0.54 1.97 -0.92 0.00 0.00 175.35 177.24 3f6z n PHE 57 N 5.03 -1.58 -4.81 3.18 -1.74 -1.07 -5.01 117.46 111.47 3f6z n PHE 57 Ca -0.10 -2.39 -0.25 0.00 -0.56 0.00 0.00 57.45 54.15 3f6z n PHE 57 Cb 0.50 0.61 -0.16 0.00 1.52 0.00 0.00 39.48 41.95 3f6z n PHE 57 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 3f6z s THR 58 N -2.76 1.36 0.04 1.97 2.01 -1.26 -0.71 115.64 116.29 3f6z s THR 58 Ca 0.29 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.64 3f6z s THR 58 Cb -0.01 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.31 3f6z s THR 58 CO 0.21 0.39 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.69 3f6z s VAL 59 N -0.18 3.08 -0.19 3.82 1.01 0.52 -4.58 120.40 123.88 3f6z s VAL 59 Ca 0.02 -1.10 -0.03 0.00 0.00 0.00 0.00 61.98 60.86 3f6z s VAL 59 Cb -0.09 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 3f6z s VAL 59 CO 0.01 0.32 -0.06 -1.58 0.00 0.00 0.00 175.10 173.79 3f6z s GLN 60 N -1.54 3.45 -0.14 2.72 0.74 -1.04 -0.67 119.66 123.18 3f6z s GLN 60 Ca 0.16 -0.61 -0.06 0.00 0.05 0.00 0.00 55.36 54.90 3f6z s GLN 60 Cb -0.11 -2.92 -0.04 0.00 1.10 0.00 0.00 33.01 31.04 3f6z s GLN 60 CO 0.07 -0.01 0.08 0.71 -0.55 0.00 0.00 175.29 175.58 3f6z s TYR 61 N 1.00 3.35 -0.13 1.67 2.02 0.83 -0.96 117.35 125.14 3f6z s TYR 61 Ca 0.00 0.27 -0.01 0.00 -0.37 0.00 0.00 57.07 56.97 3f6z s TYR 61 Cb -0.15 -1.96 0.03 0.00 -0.40 0.00 0.00 41.96 39.48 3f6z s TYR 61 CO 0.00 0.44 -0.05 -0.51 -1.57 0.00 0.00 175.55 173.86 3f6z s LEU 62 N -0.41 1.22 -0.19 -1.29 1.02 -0.30 -1.79 118.68 116.93 3f6z s LEU 62 Ca 0.10 -0.41 0.01 0.00 0.02 0.00 0.00 54.13 53.86 3f6z s LEU 62 Cb -0.12 -0.79 0.03 0.00 0.02 0.00 0.00 46.19 45.33 3f6z s LEU 62 CO 0.02 -0.16 -0.16 0.20 0.02 0.00 0.00 176.35 176.27 3f6z s ASN 63 N 1.73 3.33 -0.27 2.29 0.02 -0.65 0.41 114.94 121.81 3f6z s ASN 63 Ca 0.03 -0.79 -0.02 0.00 -1.02 0.00 0.00 52.86 51.06 3f6z s ASN 63 Cb -0.14 -1.41 0.12 0.00 0.02 0.00 0.00 41.25 39.85 3f6z s ASN 63 CO -0.08 -0.06 0.26 -0.75 0.02 0.00 0.00 177.10 176.49 3f6z s LYS 64 N 1.30 0.27 7.96 -0.60 2.20 0.26 -1.13 119.74 130.01 3f6z s LYS 64 Ca 0.02 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.53 3f6z s LYS 64 Cb -0.15 -0.86 0.00 0.00 -1.51 0.00 0.00 37.83 35.31 3f6z s LYS 64 CO -0.11 -0.92 0.00 0.41 -0.36 0.00 0.00 175.35 174.37 3f6z n GLY 65 N 5.31 3.64 0.10 5.54 0.00 -1.26 -1.58 105.19 116.94 3f6z n GLY 65 Ca -0.04 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.02 3f6z n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f6z n ASP 66 N 5.47 0.60 -4.86 1.61 8.00 -1.26 -4.75 116.55 121.37 3f6z n ASP 66 Ca 0.00 0.62 -0.37 0.00 0.71 0.00 0.00 54.79 55.74 3f6z n ASP 66 Cb 0.00 -0.76 -0.06 0.00 -0.02 0.00 0.00 41.12 40.28 3f6z n ASP 66 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3f6z s ASN 67 N -4.12 6.57 -0.12 -2.24 -0.87 -0.61 -5.05 114.94 108.49 3f6z s ASN 67 Ca 0.07 0.68 -0.05 0.00 -1.57 0.00 0.00 52.86 51.99 3f6z s ASN 67 Cb 0.11 -2.15 0.06 0.00 -0.02 0.00 0.00 41.25 39.25 3f6z s ASN 67 CO 0.44 0.36 0.25 -0.55 -2.57 0.00 0.00 177.10 175.03 3f6z s SER 68 N -0.99 0.35 0.26 -1.22 0.15 -1.26 -0.57 113.70 110.42 3f6z s SER 68 Ca 0.19 0.55 0.06 0.00 0.70 0.00 0.00 55.95 57.45 3f6z s SER 68 Cb -0.14 0.62 -0.06 0.00 -1.71 0.00 0.00 66.02 64.73 3f6z s SER 68 CO 0.08 -0.23 -0.06 -0.76 1.20 0.00 0.00 173.24 173.47 3f6z s LEU 69 N 2.30 2.44 -0.10 3.45 1.43 0.17 -0.91 118.68 127.45 3f6z s LEU 69 Ca 0.00 -1.17 -0.04 0.00 -1.03 0.00 0.00 54.13 51.89 3f6z s LEU 69 Cb -0.12 -0.57 0.05 0.00 0.03 0.00 0.00 46.19 45.58 3f6z s LEU 69 CO -0.08 -0.35 0.18 0.00 0.23 0.00 0.00 176.35 176.32 3f6z s ALA 70 N -3.08 -0.21 -0.40 4.21 0.00 -0.63 -1.15 121.76 120.50 3f6z s ALA 70 Ca 0.28 0.56 -0.18 0.00 0.00 0.00 0.00 51.96 52.62 3f6z s ALA 70 Cb 0.04 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.27 3f6z s ALA 70 CO 0.11 -0.65 0.52 0.08 0.00 0.00 0.00 175.76 175.81 3f6z s VAL 71 N 2.31 4.99 -0.08 0.00 1.01 -0.13 0.09 120.40 128.60 3f6z s VAL 71 Ca 0.03 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.09 3f6z s VAL 71 Cb -0.12 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.21 3f6z s VAL 71 CO -0.07 -0.38 -0.20 -0.69 0.00 0.00 0.00 175.10 173.76 3f6z s VAL 72 N 2.41 1.68 -0.77 2.92 1.01 0.41 -2.50 120.40 125.58 3f6z s VAL 72 Ca 0.17 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 61.11 3f6z s VAL 72 Cb -0.16 -1.47 0.08 0.00 0.00 0.00 0.00 36.38 34.83 3f6z s VAL 72 CO 0.15 0.48 1.09 -2.16 0.00 0.00 0.00 175.10 174.66 3f6z s PRO 73 N 0.34 3.28 0.03 2.72 0.04 -1.26 0.15 135.00 140.29 3f6z s PRO 73 Ca -0.14 -0.98 0.12 0.00 0.04 0.00 0.00 61.00 60.04 3f6z s PRO 73 Cb -0.16 -4.49 0.52 0.00 0.04 0.00 0.00 34.50 30.42 3f6z s PRO 73 CO 0.06 -1.90 1.39 1.33 0.04 0.00 0.00 177.00 177.92 3f6z n VAL 74 N 6.00 1.21 -3.86 -0.36 0.24 -0.27 -4.81 118.33 116.48 3f6z n VAL 74 Ca 0.07 0.31 -0.05 0.00 -2.04 0.00 0.00 64.34 62.63 3f6z n VAL 74 Cb 0.47 -1.14 0.02 0.00 -1.47 0.00 0.00 33.84 31.73 3f6z n VAL 74 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3f6z s SER 75 N -3.11 0.00 0.45 -1.34 1.04 -1.00 -4.99 113.70 104.75 3f6z s SER 75 Ca 0.05 -0.84 0.17 0.00 0.48 0.00 0.00 55.95 55.82 3f6z s SER 75 Cb 0.07 0.62 1.05 0.00 0.10 0.00 0.00 66.02 67.86 3f6z s SER 75 CO 0.21 -1.23 1.97 -0.78 0.98 0.00 0.00 173.24 174.39 3f6z h ASP 76 N 2.00 0.00 -0.02 7.02 1.82 -2.02 -3.19 116.42 122.03 3f6z h ASP 76 Ca -0.29 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.35 3f6z h ASP 76 Cb 1.23 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.24 3f6z h ASP 76 CO 0.37 0.21 0.00 -0.46 -1.61 0.00 0.00 179.24 177.75 3f6z n ASN 77 N -4.10 2.14 -3.64 2.28 0.23 -1.26 -4.97 115.26 105.93 3f6z n ASN 77 Ca -0.02 -2.19 -0.23 0.00 -0.53 0.00 0.00 54.58 51.61 3f6z n ASN 77 Cb 0.28 -0.09 -0.17 0.00 -2.08 0.00 0.00 39.78 37.71 3f6z n ASN 77 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3f6z s SER 78 N -1.32 1.74 -0.15 0.53 0.15 -1.20 -5.11 113.70 108.33 3f6z s SER 78 Ca 0.07 -0.27 0.02 0.00 0.70 0.00 0.00 55.95 56.47 3f6z s SER 78 Cb 0.06 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.20 3f6z s SER 78 CO 0.02 -0.30 -0.20 -0.89 1.20 0.00 0.00 173.24 173.06 3f6z s THR 79 N 2.16 2.00 0.03 6.45 2.01 -1.26 -1.11 115.64 125.92 3f6z s THR 79 Ca 0.03 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.14 3f6z s THR 79 Cb -0.14 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 3f6z s THR 79 CO -0.06 0.54 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.60 3f6z s LEU 80 N 1.04 3.28 -0.53 4.42 1.43 0.12 -4.90 118.68 123.55 3f6z s LEU 80 Ca -0.02 -0.15 -0.21 0.00 -1.03 0.00 0.00 54.13 52.72 3f6z s LEU 80 Cb -0.14 -1.93 0.05 0.00 0.03 0.00 0.00 46.19 44.20 3f6z s LEU 80 CO -0.07 0.25 0.74 -0.69 0.23 0.00 0.00 176.35 176.81 3f6z s VAL 81 N -1.10 4.70 0.15 -1.59 1.01 -1.26 -0.44 120.40 121.87 3f6z s VAL 81 Ca 0.20 -0.26 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 3f6z s VAL 81 Cb -0.11 -4.39 -0.07 0.00 0.00 0.00 0.00 36.38 31.80 3f6z s VAL 81 CO 0.11 -0.93 0.58 -0.36 0.00 0.00 0.00 175.10 174.49 3f6z s PHE 82 N 3.09 3.62 -0.09 5.22 0.40 0.11 -4.78 117.98 125.57 3f6z s PHE 82 Ca 0.20 1.13 0.01 0.00 -0.60 0.00 0.00 56.93 57.67 3f6z s PHE 82 Cb -0.17 -2.42 -0.02 0.00 0.51 0.00 0.00 43.02 40.92 3f6z s PHE 82 CO 0.14 0.42 -0.10 0.45 0.70 0.00 0.00 175.22 176.83 3f6z s SER 83 N -1.67 4.34 0.15 1.36 0.15 -0.45 -1.60 113.70 115.98 3f6z s SER 83 Ca 0.38 -0.15 -0.31 0.00 0.70 0.00 0.00 55.95 56.56 3f6z s SER 83 Cb -0.16 -1.25 -0.10 0.00 -1.71 0.00 0.00 66.02 62.81 3f6z s SER 83 CO 0.19 0.29 1.60 0.21 1.20 0.00 0.00 173.24 176.74 3f6z s ASN 84 N -0.39 6.56 0.27 5.45 2.47 -0.08 -0.89 114.94 128.33 3f6z s ASN 84 Ca 0.05 2.63 0.12 0.00 0.42 0.00 0.00 52.86 56.07 3f6z s ASN 84 Cb -0.12 -2.59 -0.05 0.00 -1.45 0.00 0.00 41.25 37.04 3f6z s ASN 84 CO 0.02 -0.85 -0.20 0.68 -3.72 0.00 0.00 177.10 173.03 3f6z s VAL 85 N 1.41 2.40 0.36 -5.21 -7.23 0.10 -4.91 120.40 107.33 3f6z s VAL 85 Ca 0.71 -2.37 -0.29 0.00 -1.81 0.00 0.00 61.98 58.23 3f6z s VAL 85 Cb -0.44 -2.26 -0.11 0.00 0.56 0.00 0.00 36.38 34.13 3f6z s VAL 85 CO 0.32 -0.40 1.53 -0.51 -0.31 0.00 0.00 175.10 175.72 3f6z s ILE 86 N -2.50 2.01 0.26 -0.62 2.07 -1.26 -4.38 121.20 116.77 3f6z s ILE 86 Ca 0.29 0.01 -0.18 0.00 -1.41 0.00 0.00 60.65 59.36 3f6z s ILE 86 Cb -0.05 -3.01 0.01 0.00 0.13 0.00 0.00 42.46 39.55 3f6z s ILE 86 CO 0.14 0.00 0.61 -0.94 -1.91 0.00 0.00 174.94 172.84 3f6z s SER 87 N 0.05 -0.20 -0.10 4.50 1.04 -1.26 -4.98 113.70 112.74 3f6z s SER 87 Ca 0.56 -0.70 -0.17 0.00 0.48 0.00 0.00 55.95 56.11 3f6z s SER 87 Cb -0.47 0.66 -0.27 0.00 0.10 0.00 0.00 66.02 66.04 3f6z s SER 87 CO 0.59 -1.24 0.59 0.00 0.98 0.00 0.00 173.24 174.17 3f6z h ALA 88 N 2.11 0.14 -2.82 5.32 0.00 -2.04 -3.48 119.26 118.49 3f6z h ALA 88 Ca -0.23 -1.02 -0.37 0.00 0.00 0.00 0.00 54.91 53.29 3f6z h ALA 88 Cb 1.25 0.42 -0.18 0.00 0.00 0.00 0.00 17.79 19.29 3f6z h ALA 88 CO 0.29 0.73 -0.75 -1.54 0.00 0.00 0.00 179.25 177.98 3f6z s SER 89 N -6.98 1.75 0.29 0.00 1.04 -1.26 -5.10 113.70 103.43 3f6z s SER 89 Ca -0.20 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.43 3f6z s SER 89 Cb 0.04 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.12 3f6z s SER 89 CO 0.76 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.39 3f6z n GLY 90 N 0.55 -1.84 3.13 7.32 0.00 -1.26 -4.70 105.19 108.38 3f6z n GLY 90 Ca -0.16 -1.31 -0.35 0.00 0.00 0.00 0.00 46.02 44.21 3f6z n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f6z s ALA 91 N -1.43 2.93 -0.15 4.61 0.00 0.13 -4.91 121.76 122.94 3f6z s ALA 91 Ca 0.00 -2.13 -0.12 0.00 0.00 0.00 0.00 51.96 49.71 3f6z s ALA 91 Cb 0.00 -2.08 -0.05 0.00 0.00 0.00 0.00 23.12 20.99 3f6z s ALA 91 CO 0.00 -1.50 0.23 0.21 0.00 0.00 0.00 175.76 174.70 3f6z s LYS 92 N 1.16 4.07 0.04 0.00 2.20 -1.26 -0.36 119.74 125.60 3f6z s LYS 92 Ca 0.01 0.00 0.06 0.00 -0.36 0.00 0.00 55.97 55.68 3f6z s LYS 92 Cb -0.21 -3.37 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 3f6z s LYS 92 CO -0.03 0.38 -0.16 0.71 -0.36 0.00 0.00 175.35 175.89 3f6z s TYR 93 N 0.05 1.39 0.05 4.03 2.02 0.66 -0.72 117.35 124.84 3f6z s TYR 93 Ca 0.15 -0.36 0.06 0.00 -0.37 0.00 0.00 57.07 56.54 3f6z s TYR 93 Cb -0.13 -0.82 -0.03 0.00 -0.40 0.00 0.00 41.96 40.59 3f6z s TYR 93 CO 0.03 0.06 -0.16 0.00 -1.57 0.00 0.00 175.55 173.91 3f6z s ALA 94 N -0.87 1.34 -0.29 3.71 0.00 -0.07 -0.80 121.76 124.79 3f6z s ALA 94 Ca 0.03 -0.95 -0.23 0.00 0.00 0.00 0.00 51.96 50.81 3f6z s ALA 94 Cb -0.08 -0.20 0.16 0.00 0.00 0.00 0.00 23.12 22.99 3f6z s ALA 94 CO 0.02 0.26 1.19 0.00 0.00 0.00 0.00 175.76 177.22 3f6z s ALA 95 N -0.96 -2.14 0.00 0.00 0.00 -1.00 -1.34 121.76 116.32 3f6z s ALA 95 Ca 0.02 1.84 0.00 0.00 0.00 0.00 0.00 51.96 53.83 3f6z s ALA 95 Cb -0.09 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.40 3f6z s ALA 95 CO 0.02 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.99 3f6z n GLY 96 N 2.19 3.03 1.43 0.00 0.00 -1.26 -0.56 105.19 110.03 3f6z n GLY 96 Ca -0.13 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 45.88 3f6z n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f6z n GLN 97 N 14.00 3.16 -4.13 1.61 -0.00 -1.26 -4.96 117.38 125.79 3f6z n GLN 97 Ca 0.00 -2.65 -0.24 0.00 -0.00 0.00 0.00 57.00 54.11 3f6z n GLN 97 Cb 0.00 -1.72 -0.05 0.00 -0.00 0.00 0.00 30.24 28.47 3f6z n GLN 97 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 3f6z s TYR 98 N -1.46 3.06 -0.06 2.61 2.02 0.28 -4.35 117.35 119.45 3f6z s TYR 98 Ca 0.48 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 57.10 3f6z s TYR 98 Cb 0.28 -1.42 0.02 0.00 -0.40 0.00 0.00 41.96 40.44 3f6z s TYR 98 CO 0.28 0.53 -0.03 0.42 -1.57 0.00 0.00 175.55 175.17 3f6z s ILE 99 N -1.96 0.52 -0.31 2.71 -1.09 -0.45 -2.37 121.20 118.25 3f6z s ILE 99 Ca 0.31 -0.06 -0.02 0.00 -2.23 0.00 0.00 60.65 58.65 3f6z s ILE 99 Cb -0.09 -0.59 0.05 0.00 -1.58 0.00 0.00 42.46 40.26 3f6z s ILE 99 CO 0.23 0.25 0.02 0.86 -1.23 0.00 0.00 174.94 175.07 3f6z s TRP 100 N 1.28 3.30 -0.24 3.97 -0.11 0.02 -0.69 118.94 126.48 3f6z s TRP 100 Ca -0.05 -1.92 0.00 0.00 1.22 0.00 0.00 56.10 55.35 3f6z s TRP 100 Cb -0.14 -2.21 0.03 0.00 -1.50 0.00 0.00 33.47 29.65 3f6z s TRP 100 CO -0.02 -0.82 -0.10 -0.46 -4.62 0.00 0.00 176.95 170.93 3f6z s TRP 101 N 1.24 3.06 0.07 5.86 -0.11 -0.47 -0.25 118.94 128.35 3f6z s TRP 101 Ca -0.04 -1.77 0.03 0.00 1.22 0.00 0.00 56.10 55.54 3f6z s TRP 101 Cb -0.20 -2.00 -0.04 0.00 -1.50 0.00 0.00 33.47 29.73 3f6z s TRP 101 CO -0.01 -0.79 0.09 0.95 -4.62 0.00 0.00 176.95 172.57 3f6z s THR 102 N 1.26 4.59 -0.26 5.86 -4.23 0.52 -1.00 115.64 122.38 3f6z s THR 102 Ca -0.01 -0.72 -0.02 0.00 -1.18 0.00 0.00 61.69 59.76 3f6z s THR 102 Cb -0.17 -3.20 0.11 0.00 1.34 0.00 0.00 72.50 70.58 3f6z s THR 102 CO -0.06 0.15 0.23 -0.75 -0.54 0.00 0.00 174.62 173.64 3f6z s LYS 103 N -2.34 0.25 6.58 3.99 2.47 -0.32 0.20 119.74 130.57 3f6z s LYS 103 Ca 0.29 -0.16 0.00 0.00 -1.56 0.00 0.00 55.97 54.54 3f6z s LYS 103 Cb -0.12 -0.97 0.00 0.00 -1.46 0.00 0.00 37.83 35.28 3f6z s LYS 103 CO 0.22 -0.92 0.00 0.41 0.16 0.00 0.00 175.35 175.21 3f6z n GLY 104 N 5.30 2.83 0.01 5.54 0.00 -1.26 -1.38 105.19 116.22 3f6z n GLY 104 Ca -0.04 -0.34 0.15 0.00 0.00 0.00 0.00 46.02 45.79 3f6z n GLY 104 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3f6z n GLU 105 N 13.69 0.58 -3.43 1.61 1.02 -1.26 -4.85 120.64 128.00 3f6z n GLU 105 Ca 0.00 -0.02 -0.23 0.00 -0.02 0.00 0.00 57.16 56.89 3f6z n GLU 105 Cb 0.00 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 29.91 3f6z n GLU 105 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3f6z s GLU 106 N -2.43 3.37 0.14 3.49 2.02 -0.48 -0.86 118.70 123.94 3f6z s GLU 106 Ca 0.33 -0.51 -0.20 0.00 0.02 0.00 0.00 54.97 54.61 3f6z s GLU 106 Cb 0.21 -2.70 0.05 0.00 0.10 0.00 0.00 34.13 31.78 3f6z s GLU 106 CO 0.44 0.12 0.50 0.00 0.02 0.00 0.00 175.26 176.34 3f6z s ALA 107 N -2.28 -1.27 -0.03 5.21 0.00 -0.29 -1.17 121.76 121.93 3f6z s ALA 107 Ca 0.41 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.61 3f6z s ALA 107 Cb -0.10 0.76 0.03 0.00 0.00 0.00 0.00 23.12 23.81 3f6z s ALA 107 CO 0.34 -0.69 0.01 0.99 0.00 0.00 0.00 175.76 176.42 3f6z s THR 108 N -3.69 0.08 -0.30 0.00 2.01 -0.17 -0.77 115.64 112.81 3f6z s THR 108 Ca 0.01 0.14 -0.07 0.00 0.31 0.00 0.00 61.69 62.08 3f6z s THR 108 Cb 0.00 -0.20 0.01 0.00 0.01 0.00 0.00 72.50 72.32 3f6z s THR 108 CO -0.12 0.12 0.09 -0.22 -0.69 0.00 0.00 174.62 173.81 3f6z s LEU 109 N 1.06 3.92 -0.08 4.42 2.96 -0.16 -1.37 118.68 129.44 3f6z s LEU 109 Ca -0.09 -0.71 -0.03 0.00 -0.22 0.00 0.00 54.13 53.08 3f6z s LEU 109 Cb -0.13 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 3f6z s LEU 109 CO -0.02 -0.20 0.05 -0.31 -1.32 0.00 0.00 176.35 174.55 3f6z s TYR 110 N 1.51 3.29 0.00 5.38 2.02 0.14 -0.95 117.35 128.74 3f6z s TYR 110 Ca 0.03 0.28 0.00 0.00 -0.37 0.00 0.00 57.07 57.00 3f6z s TYR 110 Cb -0.17 -1.81 0.00 0.00 -0.40 0.00 0.00 41.96 39.57 3f6z s TYR 110 CO 0.03 0.55 0.00 0.41 -1.57 0.00 0.00 175.55 174.97 3f6z n GLY 111 N 1.91 3.51 2.32 0.71 0.00 -1.26 -1.35 105.19 111.03 3f6z n GLY 111 Ca -0.18 -1.75 -0.24 0.00 0.00 0.00 0.00 46.02 43.85 3f6z n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f6z n ASP 112 N 0.00 4.49 -4.54 1.61 8.00 -1.26 -4.98 116.55 119.87 3f6z n ASP 112 Ca 0.00 -3.61 -0.24 0.00 0.71 0.00 0.00 54.79 51.66 3f6z n ASP 112 Cb 0.00 -0.42 -0.09 0.00 -0.02 0.00 0.00 41.12 40.59 3f6z n ASP 112 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3f6z s GLY 121 N -3.55 1.81 -0.09 0.44 0.00 -1.26 -4.99 107.32 99.67 3f6z s GLY 121 Ca 0.47 -1.80 -0.21 0.00 0.00 0.00 0.00 44.72 43.18 3f6z s GLY 121 CO -0.08 -1.88 0.59 0.14 0.00 0.00 0.00 173.10 171.87 3f6z s VAL 122 N -2.44 5.12 -0.13 1.40 1.01 -0.12 -4.86 120.40 120.37 3f6z s VAL 122 Ca 0.31 1.20 -0.18 0.00 0.00 0.00 0.00 61.98 63.30 3f6z s VAL 122 Cb -0.05 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 3f6z s VAL 122 CO 0.17 0.29 0.49 0.00 0.00 0.00 0.00 175.10 176.05 3f6z s ALA 123 N 0.70 3.48 0.13 5.51 0.00 -1.26 -0.99 121.76 129.33 3f6z s ALA 123 Ca 0.32 -0.20 0.06 0.00 0.00 0.00 0.00 51.96 52.14 3f6z s ALA 123 Cb -0.16 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 3f6z s ALA 123 CO 0.14 -0.06 -0.14 0.00 0.00 0.00 0.00 175.76 175.70 3f6z s LYS 125 N -2.76 0.97 0.25 0.00 1.02 -0.57 -1.14 119.74 117.50 3f6z s LYS 125 Ca 0.11 -1.05 -0.30 0.00 0.02 0.00 0.00 55.97 54.75 3f6z s LYS 125 Cb -0.05 -1.10 -0.10 0.00 -0.52 0.00 0.00 37.83 36.07 3f6z s LYS 125 CO 0.03 0.25 1.39 -1.21 -0.92 0.00 0.00 175.35 174.90 3f6z s GLU 126 N -1.80 4.30 0.00 1.68 2.02 -0.04 -1.81 118.70 123.06 3f6z s GLU 126 Ca 0.02 2.24 0.00 0.00 0.02 0.00 0.00 54.97 57.25 3f6z s GLU 126 Cb -0.10 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 31.01 3f6z s GLU 126 CO 0.03 -0.35 0.00 0.54 0.02 0.00 0.00 175.26 175.50