#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 2.34 -0.30 -1.58 -1.52 -1.26 -5.14 119.66 112.21 3f6z s GLN 28 Ca 0.00 -1.78 -0.18 0.00 -1.95 0.00 0.00 55.36 51.46 3f6z s GLN 28 Cb 0.00 -2.37 0.19 0.00 -0.22 0.00 0.00 33.01 30.61 3f6z s GLN 28 CO 0.00 -0.63 1.19 0.00 -0.25 0.00 0.00 175.29 175.61 3f6z s ALA 29 N -2.67 -3.00 0.01 6.09 0.00 -1.26 -5.17 121.76 115.75 3f6z s ALA 29 Ca 0.47 1.90 0.02 0.00 0.00 0.00 0.00 51.96 54.36 3f6z s ALA 29 Cb -0.04 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 3f6z s ALA 29 CO 0.29 -0.85 -0.03 -1.14 0.00 0.00 0.00 175.76 174.04 3f6z s GLN 30 N 1.98 2.67 -0.03 0.00 2.00 -1.26 -5.12 119.66 119.90 3f6z s GLN 30 Ca -0.02 -0.67 0.00 0.00 -2.00 0.00 0.00 55.36 52.67 3f6z s GLN 30 Cb -0.02 -2.59 0.03 0.00 0.80 0.00 0.00 33.01 31.22 3f6z s GLN 30 CO -0.16 0.61 0.01 0.08 -0.50 0.00 0.00 175.29 175.34 3f6z s VAL 31 N -1.06 0.10 -0.13 1.34 1.01 -1.26 -5.13 120.40 115.26 3f6z s VAL 31 Ca 0.19 0.14 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 3f6z s VAL 31 Cb -0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 3f6z s VAL 31 CO 0.10 0.13 0.03 -1.81 0.00 0.00 0.00 175.10 173.55 3f6z s ASP 32 N 1.12 5.44 0.02 3.32 1.01 -1.26 -5.11 116.67 121.21 3f6z s ASP 32 Ca -0.09 0.12 0.07 0.00 0.71 0.00 0.00 52.55 53.36 3f6z s ASP 32 Cb -0.13 -1.77 -0.03 0.00 1.01 0.00 0.00 42.92 42.00 3f6z s ASP 32 CO -0.02 0.28 -0.19 -0.31 0.21 0.00 0.00 175.17 175.14 3f6z s TYR 33 N -0.27 2.54 -0.11 4.23 2.02 -1.26 -5.12 117.35 119.38 3f6z s TYR 33 Ca 0.07 -0.27 -0.05 0.00 -0.37 0.00 0.00 57.07 56.45 3f6z s TYR 33 Cb -0.12 -1.49 -0.04 0.00 -0.40 0.00 0.00 41.96 39.92 3f6z s TYR 33 CO 0.02 0.21 0.06 -1.17 -1.57 0.00 0.00 175.55 173.10 3f6z s LEU 34 N -1.24 3.93 -0.30 -1.29 2.96 -1.26 -5.08 118.68 116.41 3f6z s LEU 34 Ca 0.13 0.26 -0.21 0.00 -0.22 0.00 0.00 54.13 54.10 3f6z s LEU 34 Cb -0.10 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 3f6z s LEU 34 CO 0.04 0.36 0.67 0.00 -1.32 0.00 0.00 176.35 176.10 3f6z s ALA 35 N -0.77 3.55 -0.05 5.97 0.00 -1.26 -5.03 121.76 124.17 3f6z s ALA 35 Ca 0.12 -0.55 -0.30 0.00 0.00 0.00 0.00 51.96 51.23 3f6z s ALA 35 Cb -0.12 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 3f6z s ALA 35 CO 0.03 -1.05 1.02 -0.51 0.00 0.00 0.00 175.76 175.25 3f6z s LEU 36 N 2.67 4.31 0.65 0.00 1.43 -1.26 -5.02 118.68 121.46 3f6z s LEU 36 Ca 0.27 1.64 -0.16 0.00 -1.03 0.00 0.00 54.13 54.85 3f6z s LEU 36 Cb -0.15 -3.56 -0.00 0.00 0.03 0.00 0.00 46.19 42.50 3f6z s LEU 36 CO 0.11 -0.38 1.14 -2.16 0.23 0.00 0.00 176.35 175.29 3f6z s PRO 37 N 1.55 2.77 0.00 1.29 0.04 -1.26 -4.91 135.00 134.47 3f6z s PRO 37 Ca 0.51 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.09 3f6z s PRO 37 Cb -0.21 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3f6z s PRO 37 CO 0.23 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.38 3f6z n GLY 38 N -0.12 -1.21 0.34 0.56 0.00 -1.26 -4.73 105.19 98.77 3f6z n GLY 38 Ca 0.11 -1.61 0.06 0.00 0.00 0.00 0.00 46.02 44.59 3f6z n GLY 38 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f6z n ASP 39 N -1.52 2.69 -4.71 1.61 5.75 -1.26 -5.04 116.55 114.07 3f6z n ASP 39 Ca 0.00 -2.51 -0.31 0.00 -0.01 0.00 0.00 54.79 51.95 3f6z n ASP 39 Cb 0.00 -0.28 0.13 0.00 -1.03 0.00 0.00 41.12 39.94 3f6z n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3f6z s ALA 40 N -1.90 1.81 0.07 2.12 0.00 -1.26 -4.93 121.76 117.66 3f6z s ALA 40 Ca 0.23 0.48 -0.31 0.00 0.00 0.00 0.00 51.96 52.36 3f6z s ALA 40 Cb 0.17 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.85 3f6z s ALA 40 CO 0.06 -2.34 1.29 0.21 0.00 0.00 0.00 175.76 174.98 3f6z s LYS 41 N -4.71 4.37 -0.02 0.00 2.47 -1.26 -4.78 119.74 115.82 3f6z s LYS 41 Ca 0.65 1.89 -0.20 0.00 -1.56 0.00 0.00 55.97 56.75 3f6z s LYS 41 Cb -0.21 -3.34 -0.05 0.00 -1.46 0.00 0.00 37.83 32.77 3f6z s LYS 41 CO 0.56 -0.36 0.56 -1.17 0.16 0.00 0.00 175.35 175.11 3f6z s LEU 42 N 1.26 4.41 -0.10 5.43 2.96 -1.26 -4.38 118.68 127.00 3f6z s LEU 42 Ca 0.61 1.10 0.01 0.00 -0.22 0.00 0.00 54.13 55.63 3f6z s LEU 42 Cb -0.32 -2.86 0.02 0.00 0.50 0.00 0.00 46.19 43.53 3f6z s LEU 42 CO 0.29 0.11 -0.11 -0.62 -1.32 0.00 0.00 176.35 174.71 3f6z s ASP 43 N -0.19 2.07 0.09 3.68 2.15 -0.25 -4.99 116.67 119.23 3f6z s ASP 43 Ca 0.30 -0.32 0.09 0.00 0.43 0.00 0.00 52.55 53.05 3f6z s ASP 43 Cb -0.18 -0.88 -0.03 0.00 -0.30 0.00 0.00 42.92 41.53 3f6z s ASP 43 CO 0.16 -0.04 -0.24 -0.89 -0.17 0.00 0.00 175.17 173.99 3f6z s THR 44 N 1.21 2.39 -0.17 1.71 2.01 -1.26 -0.90 115.64 120.63 3f6z s THR 44 Ca -0.04 -1.51 -0.11 0.00 0.31 0.00 0.00 61.69 60.35 3f6z s THR 44 Cb -0.14 -2.02 0.05 0.00 0.01 0.00 0.00 72.50 70.41 3f6z s THR 44 CO -0.03 0.22 0.41 -0.60 -0.69 0.00 0.00 174.62 173.94 3f6z s ARG 45 N -1.70 0.42 -0.19 4.92 3.52 -0.39 -4.98 118.95 120.54 3f6z s ARG 45 Ca 0.14 0.73 -0.09 0.00 -0.13 0.00 0.00 55.73 56.38 3f6z s ARG 45 Cb -0.10 0.05 -0.05 0.00 -1.56 0.00 0.00 34.95 33.29 3f6z s ARG 45 CO 0.05 -0.13 0.10 -1.12 -0.81 0.00 0.00 175.30 173.39 3f6z s SER 46 N 1.06 5.90 -0.04 -2.12 0.01 -1.26 -0.67 113.70 116.58 3f6z s SER 46 Ca -0.07 0.14 0.03 0.00 1.31 0.00 0.00 55.95 57.37 3f6z s SER 46 Cb -0.07 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.14 3f6z s SER 46 CO -0.09 0.17 -0.13 -0.69 0.41 0.00 0.00 173.24 172.90 3f6z s VAL 47 N 0.43 1.15 -0.10 3.43 1.01 -0.28 -4.97 120.40 121.07 3f6z s VAL 47 Ca 0.05 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 3f6z s VAL 47 Cb -0.12 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 3f6z s VAL 47 CO -0.00 0.34 0.23 -1.81 0.00 0.00 0.00 175.10 173.86 3f6z s ASP 48 N 0.20 6.50 0.35 3.32 1.01 -1.26 -0.25 116.67 126.53 3f6z s ASP 48 Ca -0.05 0.59 0.05 0.00 0.71 0.00 0.00 52.55 53.84 3f6z s ASP 48 Cb -0.11 -2.14 -0.07 0.00 1.01 0.00 0.00 42.92 41.61 3f6z s ASP 48 CO 0.02 0.32 0.05 -0.31 0.21 0.00 0.00 175.17 175.46 3f6z s TYR 49 N -0.71 2.11 -0.08 4.23 2.02 -0.07 0.17 117.35 125.02 3f6z s TYR 49 Ca 0.17 -0.88 -0.03 0.00 -0.37 0.00 0.00 57.07 55.95 3f6z s TYR 49 Cb -0.13 -1.41 0.04 0.00 -0.40 0.00 0.00 41.96 40.06 3f6z s TYR 49 CO 0.06 0.12 0.17 0.21 -1.57 0.00 0.00 175.55 174.54 3f6z s LYS 50 N -3.85 0.11 0.40 -0.62 2.20 -0.15 -2.96 119.74 114.88 3f6z s LYS 50 Ca 0.36 0.43 0.08 0.00 -0.36 0.00 0.00 55.97 56.48 3f6z s LYS 50 Cb 0.09 -0.17 -0.02 0.00 -1.51 0.00 0.00 37.83 36.21 3f6z s LYS 50 CO 0.16 -0.18 0.36 0.00 -0.36 0.00 0.00 175.35 175.33 3f6z h GLU 52 N 1.08 0.00 -0.67 0.00 4.81 -1.20 -1.77 114.58 116.83 3f6z h GLU 52 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3f6z h GLU 52 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3f6z h GLU 52 CO 0.58 0.00 0.00 0.27 -0.73 0.00 0.00 179.01 179.13 3f6z n ASN 53 N -2.59 4.32 0.00 1.04 0.23 -1.26 -4.93 115.26 112.07 3f6z n ASN 53 Ca -0.02 -2.24 0.00 0.00 -0.53 0.00 0.00 54.58 51.79 3f6z n ASN 53 Cb 0.05 -0.52 0.00 0.00 -2.08 0.00 0.00 39.78 37.23 3f6z n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3f6z n GLY 54 N 1.30 3.18 3.56 4.83 0.00 -0.66 -5.02 105.19 112.38 3f6z n GLY 54 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.57 0.87 -3.71 1.61 1.74 -1.26 -4.70 116.66 109.64 3f6z n ARG 55 Ca 0.00 0.33 -0.16 0.00 -0.77 0.00 0.00 57.85 57.25 3f6z n ARG 55 Cb 0.00 -1.97 -0.16 0.00 -1.02 0.00 0.00 32.46 29.31 3f6z n ARG 55 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3f6z s LYS 56 N -2.32 0.01 0.38 5.56 0.00 -1.26 -1.20 119.74 120.91 3f6z s LYS 56 Ca 0.70 0.39 -0.08 0.00 0.00 0.00 0.00 55.97 56.98 3f6z s LYS 56 Cb -0.47 -0.29 0.03 0.00 0.00 0.00 0.00 37.83 37.10 3f6z s LYS 56 CO 0.52 -0.24 0.64 1.97 0.00 0.00 0.00 175.35 178.24 3f6z n PHE 57 N 4.76 -1.91 -4.64 1.78 -1.74 -1.15 -5.02 117.46 109.53 3f6z n PHE 57 Ca -0.16 -2.17 -0.24 0.00 -0.56 0.00 0.00 57.45 54.32 3f6z n PHE 57 Cb 0.50 0.74 -0.16 0.00 1.52 0.00 0.00 39.48 42.08 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 -2.49 1.19 -0.04 1.97 2.01 -1.26 -0.89 115.64 116.13 3f6z s THR 58 Ca 0.23 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.70 3f6z s THR 58 Cb -0.03 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 3f6z s THR 58 CO 0.17 0.36 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.73 3f6z s VAL 59 N 0.39 3.92 -0.20 3.82 1.01 0.65 -4.62 120.40 125.37 3f6z s VAL 59 Ca -0.09 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 3f6z s VAL 59 Cb -0.13 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 3f6z s VAL 59 CO 0.03 0.51 -0.01 -1.58 0.00 0.00 0.00 175.10 174.05 3f6z s GLN 60 N -1.11 3.56 -0.13 2.72 0.74 -0.99 -1.13 119.66 123.33 3f6z s GLN 60 Ca 0.15 -0.55 -0.04 0.00 0.05 0.00 0.00 55.36 54.98 3f6z s GLN 60 Cb -0.11 -3.05 -0.03 0.00 1.10 0.00 0.00 33.01 30.92 3f6z s GLN 60 CO 0.05 -0.02 0.01 0.71 -0.55 0.00 0.00 175.29 175.48 3f6z s TYR 61 N 1.06 3.15 -0.11 1.67 2.02 0.15 -0.62 117.35 124.67 3f6z s TYR 61 Ca 0.02 0.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.75 3f6z s TYR 61 Cb -0.14 -1.91 0.02 0.00 -0.40 0.00 0.00 41.96 39.53 3f6z s TYR 61 CO 0.01 0.26 -0.11 -0.51 -1.57 0.00 0.00 175.55 173.63 3f6z s LEU 62 N -0.24 1.45 -0.18 -1.29 1.02 -0.32 -1.26 118.68 117.85 3f6z s LEU 62 Ca 0.06 -0.36 0.01 0.00 0.02 0.00 0.00 54.13 53.86 3f6z s LEU 62 Cb -0.12 -0.95 0.03 0.00 0.02 0.00 0.00 46.19 45.17 3f6z s LEU 62 CO 0.02 -0.06 -0.15 0.20 0.02 0.00 0.00 176.35 176.38 3f6z s ASN 63 N 1.38 3.21 -0.24 2.29 0.02 -0.08 -0.27 114.94 121.25 3f6z s ASN 63 Ca 0.00 -0.75 -0.02 0.00 -1.02 0.00 0.00 52.86 51.07 3f6z s ASN 63 Cb -0.13 -1.34 0.12 0.00 0.02 0.00 0.00 41.25 39.92 3f6z s ASN 63 CO -0.06 -0.07 0.31 -0.75 0.02 0.00 0.00 177.10 176.54 3f6z s LYS 64 N 1.35 0.29 7.87 -0.60 2.20 0.06 -1.09 119.74 129.83 3f6z s LYS 64 Ca 0.02 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 3f6z s LYS 64 Cb -0.14 -0.77 0.00 0.00 -1.51 0.00 0.00 37.83 35.41 3f6z s LYS 64 CO -0.10 -0.76 0.00 0.41 -0.36 0.00 0.00 175.35 174.53 3f6z n GLY 65 N 5.34 3.45 0.03 5.54 0.00 -1.26 -1.55 105.19 116.73 3f6z n GLY 65 Ca -0.04 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 5.38 0.23 -4.84 1.61 8.00 -1.26 -4.80 116.55 120.87 3f6z n ASP 66 Ca 0.00 0.53 -0.37 0.00 0.71 0.00 0.00 54.79 55.65 3f6z n ASP 66 Cb 0.00 -0.59 -0.06 0.00 -0.02 0.00 0.00 41.12 40.45 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 -3.42 6.53 -0.08 -2.24 -0.87 -0.60 -5.05 114.94 109.21 3f6z s ASN 67 Ca 0.12 0.64 -0.03 0.00 -1.57 0.00 0.00 52.86 52.01 3f6z s ASN 67 Cb 0.16 -2.15 0.04 0.00 -0.02 0.00 0.00 41.25 39.28 3f6z s ASN 67 CO 0.50 0.33 0.17 -0.55 -2.57 0.00 0.00 177.10 174.98 3f6z s SER 68 N -0.79 0.33 0.15 -1.22 0.15 -1.26 -0.76 113.70 110.31 3f6z s SER 68 Ca 0.18 0.35 0.05 0.00 0.70 0.00 0.00 55.95 57.23 3f6z s SER 68 Cb -0.14 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 64.41 3f6z s SER 68 CO 0.07 -0.20 -0.11 -0.76 1.20 0.00 0.00 173.24 173.44 3f6z s LEU 69 N 1.81 2.53 -0.07 3.45 1.43 0.62 -0.81 118.68 127.64 3f6z s LEU 69 Ca -0.03 -1.00 -0.03 0.00 -1.03 0.00 0.00 54.13 52.05 3f6z s LEU 69 Cb -0.12 -0.39 0.04 0.00 0.03 0.00 0.00 46.19 45.75 3f6z s LEU 69 CO -0.06 -0.30 0.06 0.00 0.23 0.00 0.00 176.35 176.27 3f6z s ALA 70 N -3.23 0.33 -0.39 4.21 0.00 -0.71 -1.17 121.76 120.80 3f6z s ALA 70 Ca 0.17 0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.98 3f6z s ALA 70 Cb 0.02 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.42 3f6z s ALA 70 CO 0.01 -0.63 0.57 0.08 0.00 0.00 0.00 175.76 175.80 3f6z s VAL 71 N 2.14 4.93 -0.07 0.00 1.01 0.21 -0.29 120.40 128.33 3f6z s VAL 71 Ca 0.04 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.29 3f6z s VAL 71 Cb -0.13 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.18 3f6z s VAL 71 CO -0.04 -0.39 -0.16 -0.69 0.00 0.00 0.00 175.10 173.81 3f6z s VAL 72 N 2.58 1.43 -0.75 2.92 1.01 0.23 -2.35 120.40 125.47 3f6z s VAL 72 Ca 0.20 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.29 3f6z s VAL 72 Cb -0.15 -1.27 0.06 0.00 0.00 0.00 0.00 36.38 35.03 3f6z s VAL 72 CO 0.16 0.42 1.12 -2.16 0.00 0.00 0.00 175.10 174.64 3f6z s PRO 73 N 0.48 3.23 0.00 2.72 0.04 -1.26 -0.19 135.00 140.03 3f6z s PRO 73 Ca -0.14 -0.79 0.11 0.00 0.04 0.00 0.00 61.00 60.22 3f6z s PRO 73 Cb -0.16 -4.40 0.60 0.00 0.04 0.00 0.00 34.50 30.58 3f6z s PRO 73 CO 0.05 -1.95 1.24 1.33 0.04 0.00 0.00 177.00 177.70 3f6z n VAL 74 N 6.11 0.57 -3.86 -0.36 0.24 -0.42 -4.82 118.33 115.78 3f6z n VAL 74 Ca 0.05 0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.49 3f6z n VAL 74 Cb 0.47 -0.96 0.01 0.00 -1.47 0.00 0.00 33.84 31.90 3f6z n VAL 74 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3f6z n SER 75 N -1.23 -0.93 0.02 -1.34 3.41 -1.06 -4.98 113.62 107.50 3f6z n SER 75 Ca 0.06 -1.35 0.02 0.00 -0.26 0.00 0.00 58.87 57.34 3f6z n SER 75 Cb 0.08 1.48 0.35 0.00 -0.26 0.00 0.00 64.21 65.87 3f6z n SER 75 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3f6z h ASP 76 N 1.30 0.45 -0.01 4.04 2.03 -2.01 -3.26 116.42 118.95 3f6z h ASP 76 Ca -0.16 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.09 3f6z h ASP 76 Cb 0.78 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.16 3f6z h ASP 76 CO 0.22 0.46 0.00 -0.46 -1.03 0.00 0.00 179.24 178.43 3f6z n ASN 77 N -4.35 1.99 -3.73 4.15 0.23 -1.26 -4.99 115.26 107.31 3f6z n ASN 77 Ca 0.02 -1.97 -0.22 0.00 -0.53 0.00 0.00 54.58 51.88 3f6z n ASN 77 Cb 0.18 -0.01 -0.18 0.00 -2.08 0.00 0.00 39.78 37.70 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 -0.97 1.38 -0.13 0.53 0.15 -1.23 -5.12 113.70 108.32 3f6z s SER 78 Ca 0.01 -0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.67 3f6z s SER 78 Cb 0.00 -0.31 0.01 0.00 -1.71 0.00 0.00 66.02 64.02 3f6z s SER 78 CO 0.00 -0.22 -0.19 -0.89 1.20 0.00 0.00 173.24 173.15 3f6z s THR 79 N 2.06 1.80 0.09 6.45 2.01 -1.26 -1.31 115.64 125.49 3f6z s THR 79 Ca 0.05 -0.82 0.08 0.00 0.31 0.00 0.00 61.69 61.30 3f6z s THR 79 Cb -0.12 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 3f6z s THR 79 CO -0.04 0.50 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.47 3f6z s LEU 80 N 0.90 2.79 -0.45 4.42 1.43 0.74 -4.91 118.68 123.60 3f6z s LEU 80 Ca -0.07 -0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 52.37 3f6z s LEU 80 Cb -0.15 -1.63 0.03 0.00 0.03 0.00 0.00 46.19 44.47 3f6z s LEU 80 CO -0.02 0.20 0.58 -0.69 0.23 0.00 0.00 176.35 176.65 3f6z s VAL 81 N -1.11 4.91 0.14 -1.59 1.01 -1.26 -0.60 120.40 121.90 3f6z s VAL 81 Ca 0.18 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 3f6z s VAL 81 Cb -0.11 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.03 3f6z s VAL 81 CO 0.10 -0.60 0.47 -0.36 0.00 0.00 0.00 175.10 174.72 3f6z s PHE 82 N 2.59 3.55 -0.10 5.22 0.40 0.60 -4.77 117.98 125.46 3f6z s PHE 82 Ca 0.18 0.87 0.00 0.00 -0.60 0.00 0.00 56.93 57.37 3f6z s PHE 82 Cb -0.16 -2.23 -0.03 0.00 0.51 0.00 0.00 43.02 41.12 3f6z s PHE 82 CO 0.16 0.43 -0.09 0.45 0.70 0.00 0.00 175.22 176.87 3f6z s SER 83 N -1.94 4.44 0.21 1.36 0.15 -0.43 -1.74 113.70 115.75 3f6z s SER 83 Ca 0.38 -0.14 -0.31 0.00 0.70 0.00 0.00 55.95 56.58 3f6z s SER 83 Cb -0.13 -1.36 -0.10 0.00 -1.71 0.00 0.00 66.02 62.71 3f6z s SER 83 CO 0.20 0.27 1.54 0.21 1.20 0.00 0.00 173.24 176.66 3f6z s ASN 84 N -0.27 6.57 0.21 5.45 2.47 0.01 -0.88 114.94 128.51 3f6z s ASN 84 Ca 0.03 2.69 0.09 0.00 0.42 0.00 0.00 52.86 56.09 3f6z s ASN 84 Cb -0.13 -2.61 -0.05 0.00 -1.45 0.00 0.00 41.25 37.02 3f6z s ASN 84 CO 0.03 -0.81 -0.18 0.68 -3.72 0.00 0.00 177.10 173.10 3f6z s VAL 85 N 0.64 2.02 0.35 -5.21 -7.23 0.96 -4.90 120.40 107.03 3f6z s VAL 85 Ca 0.66 -2.17 -0.28 0.00 -1.81 0.00 0.00 61.98 58.38 3f6z s VAL 85 Cb -0.44 -2.06 -0.12 0.00 0.56 0.00 0.00 36.38 34.32 3f6z s VAL 85 CO 0.37 -0.42 1.42 0.00 -0.31 0.00 0.00 175.10 176.16 3f6z n ILE 86 N -0.20 1.89 -3.89 -0.62 3.06 -1.26 -4.34 119.36 114.01 3f6z n ILE 86 Ca -0.09 -0.47 -0.08 0.00 -2.50 0.00 0.00 62.75 59.61 3f6z n ILE 86 Cb 0.59 -1.81 -0.03 0.00 0.54 0.00 0.00 39.64 38.93 3f6z n ILE 86 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 3f6z s SER 87 N -0.14 -0.22 -0.03 9.51 1.04 -1.26 -4.98 113.70 117.63 3f6z s SER 87 Ca 0.55 -0.68 -0.11 0.00 0.48 0.00 0.00 55.95 56.19 3f6z s SER 87 Cb -0.52 0.69 -0.31 0.00 0.10 0.00 0.00 66.02 65.98 3f6z s SER 87 CO 0.62 -1.29 0.75 0.00 0.98 0.00 0.00 173.24 174.30 3f6z h ALA 88 N 2.07 0.10 -2.49 5.32 0.00 -2.04 -3.48 119.26 118.75 3f6z h ALA 88 Ca -0.21 -1.08 -0.18 0.00 0.00 0.00 0.00 54.91 53.44 3f6z h ALA 88 Cb 1.25 0.38 -0.17 0.00 0.00 0.00 0.00 17.79 19.26 3f6z h ALA 88 CO 0.27 0.97 -0.70 -1.54 0.00 0.00 0.00 179.25 178.25 3f6z s SER 89 N -7.32 0.67 0.35 0.00 1.04 -1.26 -5.12 113.70 102.07 3f6z s SER 89 Ca -0.14 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.44 3f6z s SER 89 Cb 0.05 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.30 3f6z s SER 89 CO 0.87 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 175.24 3f6z n GLY 90 N 0.50 -1.75 3.14 7.32 0.00 -1.26 -4.68 105.19 108.47 3f6z n GLY 90 Ca -0.16 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.48 2.94 -0.17 4.61 0.00 0.18 -4.92 121.76 122.92 3f6z s ALA 91 Ca 0.00 -2.11 -0.14 0.00 0.00 0.00 0.00 51.96 49.72 3f6z s ALA 91 Cb 0.00 -2.11 -0.05 0.00 0.00 0.00 0.00 23.12 20.97 3f6z s ALA 91 CO 0.00 -1.50 0.28 0.21 0.00 0.00 0.00 175.76 174.76 3f6z s LYS 92 N 1.18 4.24 0.08 0.00 2.20 -1.26 -0.09 119.74 126.09 3f6z s LYS 92 Ca 0.01 0.06 0.07 0.00 -0.36 0.00 0.00 55.97 55.76 3f6z s LYS 92 Cb -0.21 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 3f6z s LYS 92 CO -0.03 0.21 -0.19 0.71 -0.36 0.00 0.00 175.35 175.70 3f6z s TYR 93 N 0.55 1.61 0.06 4.03 2.02 0.11 -0.03 117.35 125.70 3f6z s TYR 93 Ca 0.16 -0.41 0.05 0.00 -0.37 0.00 0.00 57.07 56.50 3f6z s TYR 93 Cb -0.13 -0.91 -0.03 0.00 -0.40 0.00 0.00 41.96 40.49 3f6z s TYR 93 CO 0.04 0.13 -0.15 0.00 -1.57 0.00 0.00 175.55 174.00 3f6z s ALA 94 N -1.06 1.24 -0.29 3.71 0.00 -0.06 -0.69 121.76 124.61 3f6z s ALA 94 Ca 0.04 -0.95 -0.21 0.00 0.00 0.00 0.00 51.96 50.85 3f6z s ALA 94 Cb -0.09 -0.15 0.16 0.00 0.00 0.00 0.00 23.12 23.03 3f6z s ALA 94 CO 0.03 0.21 1.15 0.00 0.00 0.00 0.00 175.76 177.15 3f6z s ALA 95 N -1.07 -2.23 0.00 0.00 0.00 -0.94 -1.32 121.76 116.21 3f6z s ALA 95 Ca 0.01 1.94 0.00 0.00 0.00 0.00 0.00 51.96 53.90 3f6z s ALA 95 Cb -0.09 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.34 3f6z s ALA 95 CO 0.02 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.94 3f6z n GLY 96 N 2.62 3.29 1.44 0.00 0.00 -1.26 -0.45 105.19 110.83 3f6z n GLY 96 Ca -0.14 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 3.52 -4.18 1.61 -0.00 -1.26 -4.97 117.38 126.09 3f6z n GLN 97 Ca 0.00 -2.80 -0.25 0.00 -0.00 0.00 0.00 57.00 53.96 3f6z n GLN 97 Cb 0.00 -1.80 -0.06 0.00 -0.00 0.00 0.00 30.24 28.37 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 -1.76 2.92 -0.06 2.61 2.02 0.41 -4.29 117.35 119.20 3f6z s TYR 98 Ca 0.48 -0.13 0.01 0.00 -0.37 0.00 0.00 57.07 57.06 3f6z s TYR 98 Cb 0.31 -1.36 0.02 0.00 -0.40 0.00 0.00 41.96 40.52 3f6z s TYR 98 CO 0.24 0.54 -0.06 0.42 -1.57 0.00 0.00 175.55 175.12 3f6z s ILE 99 N -1.96 0.74 -0.31 2.71 -1.09 -0.61 -2.20 121.20 118.47 3f6z s ILE 99 Ca 0.30 -0.20 -0.02 0.00 -2.23 0.00 0.00 60.65 58.50 3f6z s ILE 99 Cb -0.08 -0.75 0.05 0.00 -1.58 0.00 0.00 42.46 40.10 3f6z s ILE 99 CO 0.21 0.29 0.03 0.86 -1.23 0.00 0.00 174.94 175.10 3f6z s TRP 100 N 1.13 3.30 -0.23 3.97 -0.11 0.13 -0.82 118.94 126.30 3f6z s TRP 100 Ca -0.07 -1.88 0.01 0.00 1.22 0.00 0.00 56.10 55.37 3f6z s TRP 100 Cb -0.14 -2.23 0.04 0.00 -1.50 0.00 0.00 33.47 29.63 3f6z s TRP 100 CO -0.01 -0.81 -0.11 -0.46 -4.62 0.00 0.00 176.95 170.93 3f6z s TRP 101 N 1.26 3.06 0.11 5.86 -0.11 -0.56 0.06 118.94 128.61 3f6z s TRP 101 Ca -0.03 -1.84 0.03 0.00 1.22 0.00 0.00 56.10 55.48 3f6z s TRP 101 Cb -0.20 -1.98 -0.04 0.00 -1.50 0.00 0.00 33.47 29.75 3f6z s TRP 101 CO -0.01 -0.80 0.13 0.95 -4.62 0.00 0.00 176.95 172.59 3f6z s THR 102 N 1.24 4.68 -0.29 5.86 -4.23 0.87 -1.40 115.64 122.37 3f6z s THR 102 Ca -0.02 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 3f6z s THR 102 Cb -0.17 -3.31 0.14 0.00 1.34 0.00 0.00 72.50 70.51 3f6z s THR 102 CO -0.07 0.05 0.33 -0.75 -0.54 0.00 0.00 174.62 173.64 3f6z s LYS 103 N -2.66 0.35 6.27 3.99 2.47 -0.37 0.49 119.74 130.28 3f6z s LYS 103 Ca 0.31 -0.04 0.00 0.00 -1.56 0.00 0.00 55.97 54.68 3f6z s LYS 103 Cb -0.12 -0.56 0.00 0.00 -1.46 0.00 0.00 37.83 35.70 3f6z s LYS 103 CO 0.24 -1.01 0.00 0.41 0.16 0.00 0.00 175.35 175.14 3f6z n GLY 104 N 5.33 2.53 0.00 5.54 0.00 -1.26 -1.47 105.19 115.86 3f6z n GLY 104 Ca -0.01 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.74 3f6z n GLY 104 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3f6z n GLU 105 N 13.51 0.62 -3.82 1.61 0.28 -1.26 -4.85 120.64 126.73 3f6z n GLU 105 Ca 0.00 0.01 -0.22 0.00 -0.16 0.00 0.00 57.16 56.80 3f6z n GLU 105 Cb 0.00 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.35 3f6z n GLU 105 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 3f6z s GLU 106 N -2.34 3.44 0.14 3.44 2.02 -0.54 -1.66 118.70 123.20 3f6z s GLU 106 Ca 0.34 -0.68 -0.19 0.00 0.02 0.00 0.00 54.97 54.46 3f6z s GLU 106 Cb 0.20 -2.84 0.05 0.00 0.10 0.00 0.00 34.13 31.64 3f6z s GLU 106 CO 0.39 0.35 0.50 0.00 0.02 0.00 0.00 175.26 176.52 3f6z s ALA 107 N -2.06 -1.25 -0.04 5.21 0.00 -0.01 -1.24 121.76 122.38 3f6z s ALA 107 Ca 0.36 0.22 -0.01 0.00 0.00 0.00 0.00 51.96 52.52 3f6z s ALA 107 Cb -0.09 0.77 0.03 0.00 0.00 0.00 0.00 23.12 23.83 3f6z s ALA 107 CO 0.31 -0.70 0.08 0.99 0.00 0.00 0.00 175.76 176.44 3f6z s THR 108 N -3.74 -0.04 -0.19 0.00 2.01 -0.49 -0.47 115.64 112.71 3f6z s THR 108 Ca 0.02 0.16 -0.04 0.00 0.31 0.00 0.00 61.69 62.14 3f6z s THR 108 Cb 0.00 -0.14 -0.02 0.00 0.01 0.00 0.00 72.50 72.35 3f6z s THR 108 CO -0.12 0.07 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.64 3f6z s LEU 109 N 0.92 3.19 -0.02 4.42 2.96 -0.64 -1.49 118.68 128.01 3f6z s LEU 109 Ca -0.07 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 53.67 3f6z s LEU 109 Cb -0.10 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 3f6z s LEU 109 CO -0.04 0.08 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.62 3f6z s TYR 110 N 0.91 2.69 0.00 5.38 2.02 -0.00 -1.23 117.35 127.11 3f6z s TYR 110 Ca 0.00 -0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.53 3f6z s TYR 110 Cb -0.14 -1.58 0.00 0.00 -0.40 0.00 0.00 41.96 39.84 3f6z s TYR 110 CO 0.02 0.23 0.00 0.41 -1.57 0.00 0.00 175.55 174.64 3f6z n GLY 111 N 1.98 3.23 2.20 0.71 0.00 -1.26 -1.57 105.19 110.47 3f6z n GLY 111 Ca -0.17 -1.88 -0.25 0.00 0.00 0.00 0.00 46.02 43.72 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 4.85 0.00 1.61 8.00 -1.26 -4.98 116.55 124.77 3f6z n ASP 112 Ca 0.00 -3.74 0.00 0.00 0.71 0.00 0.00 54.79 51.76 3f6z n ASP 112 Cb 0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 3f6z n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f6z n GLY 121 N -0.62 2.42 3.69 0.44 0.00 -1.26 -5.01 105.19 104.85 3f6z n GLY 121 Ca 0.42 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3f6z n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f6z s VAL 122 N -1.89 4.79 -0.18 1.61 1.01 -0.37 -4.87 120.40 120.51 3f6z s VAL 122 Ca 0.00 2.02 -0.22 0.00 0.00 0.00 0.00 61.98 63.77 3f6z s VAL 122 Cb 0.00 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 3f6z s VAL 122 CO 0.00 0.01 0.70 0.00 0.00 0.00 0.00 175.10 175.81 3f6z s ALA 123 N 1.98 3.52 0.19 5.51 0.00 -1.26 -1.62 121.76 130.07 3f6z s ALA 123 Ca 0.48 -0.14 0.07 0.00 0.00 0.00 0.00 51.96 52.38 3f6z s ALA 123 Cb -0.18 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 3f6z s ALA 123 CO 0.18 -0.54 -0.15 0.00 0.00 0.00 0.00 175.76 175.26 3f6z s LYS 125 N -3.46 0.68 0.37 0.00 -2.85 -0.48 -0.83 119.74 113.16 3f6z s LYS 125 Ca 0.20 -0.68 -0.28 0.00 -1.00 0.00 0.00 55.97 54.21 3f6z s LYS 125 Cb -0.02 0.28 -0.11 0.00 -2.06 0.00 0.00 37.83 35.92 3f6z s LYS 125 CO 0.06 -0.19 1.44 -1.21 0.10 0.00 0.00 175.35 175.55 3f6z s GLU 126 N -2.65 4.16 0.00 1.78 2.02 -0.66 -0.97 118.70 122.38 3f6z s GLU 126 Ca -0.04 2.48 0.00 0.00 0.02 0.00 0.00 54.97 57.43 3f6z s GLU 126 Cb -0.01 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.23 3f6z s GLU 126 CO -0.04 -0.45 0.00 0.54 0.02 0.00 0.00 175.26 175.32