#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1f n LYS 11 N 0.00 1.68 0.00 -0.78 -0.00 -1.26 -4.44 118.16 113.36 3f1f n LYS 11 Ca 0.00 0.61 0.00 0.00 -0.00 0.00 0.00 58.31 58.92 3f1f n LYS 11 Cb 0.00 -2.38 0.00 0.00 -0.00 0.00 0.00 35.03 32.65 3f1f n LYS 11 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3f1f n ASN 12 N 5.75 0.00 -0.05 -5.58 3.02 -1.26 -5.01 115.26 112.13 3f1f n ASN 12 Ca 0.24 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 3f1f n ASN 12 Cb 0.22 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 3f1f n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f1f n GLY 13 N 0.00 -0.13 3.89 7.41 0.00 -1.26 -4.78 105.19 110.32 3f1f n GLY 13 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3f1f n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1f s ARG 14 N -1.90 3.35 -0.13 1.61 0.52 -1.26 -5.08 118.95 116.06 3f1f s ARG 14 Ca 0.00 0.40 -0.34 0.00 -0.52 0.00 0.00 55.73 55.28 3f1f s ARG 14 Cb 0.00 -2.20 0.15 0.00 0.52 0.00 0.00 34.95 33.42 3f1f s ARG 14 CO 0.00 -0.55 1.43 0.34 0.02 0.00 0.00 175.30 176.54 3f1f s ASP 15 N -4.21 -0.01 0.35 0.23 3.68 -1.26 -5.17 116.67 110.28 3f1f s ASP 15 Ca 0.53 -0.01 0.07 0.00 2.13 0.00 0.00 52.55 55.27 3f1f s ASP 15 Cb -0.11 0.01 -0.01 0.00 -1.45 0.00 0.00 42.92 41.36 3f1f s ASP 15 CO 0.49 -0.02 0.42 -0.94 0.13 0.00 0.00 175.17 175.25 3f1f s SER 16 N -2.81 5.69 0.34 -0.34 1.04 -1.26 -5.10 113.70 111.26 3f1f s SER 16 Ca 0.14 -0.33 -0.20 0.00 0.48 0.00 0.00 55.95 56.03 3f1f s SER 16 Cb 0.06 -1.06 -0.10 0.00 0.10 0.00 0.00 66.02 65.03 3f1f s SER 16 CO -0.06 -0.46 0.85 0.00 0.98 0.00 0.00 173.24 174.56 3f1f s GLN 17 N -4.14 4.26 0.40 4.02 -2.07 -1.26 -4.99 119.66 115.89 3f1f s GLN 17 Ca 0.45 1.01 -0.27 0.00 -1.82 0.00 0.00 55.36 54.73 3f1f s GLN 17 Cb -0.08 -2.52 -0.10 0.00 -1.09 0.00 0.00 33.01 29.22 3f1f s GLN 17 CO 0.30 0.17 1.48 0.00 -1.32 0.00 0.00 175.29 175.92 3f1f s ALA 18 N -1.87 3.48 -1.88 2.60 0.00 -1.26 -4.92 121.76 117.91 3f1f s ALA 18 Ca 0.54 1.57 0.23 0.00 0.00 0.00 0.00 51.96 54.30 3f1f s ALA 18 Cb -0.13 -3.61 0.15 0.00 0.00 0.00 0.00 23.12 19.52 3f1f s ALA 18 CO 0.18 -1.12 1.18 1.63 0.00 0.00 0.00 175.76 177.63 3f1f n LYS 19 N 0.25 1.02 -3.39 0.00 4.76 -1.26 -5.02 118.16 114.52 3f1f n LYS 19 Ca 0.02 -0.80 -0.32 0.00 -2.87 0.00 0.00 58.31 54.35 3f1f n LYS 19 Cb 0.40 -1.48 0.03 0.00 -1.84 0.00 0.00 35.03 32.14 3f1f n LYS 19 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3f1f n ARG 20 N -0.30 -1.90 -4.31 1.97 1.74 -1.26 -5.00 116.66 107.61 3f1f n ARG 20 Ca 0.09 1.49 -0.16 0.00 -0.77 0.00 0.00 57.85 58.51 3f1f n ARG 20 Cb 0.43 -2.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.27 3f1f n ARG 20 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 3f1f s LEU 21 N -2.35 2.25 0.00 0.55 0.05 -1.26 -5.05 118.68 112.86 3f1f s LEU 21 Ca 0.34 -1.17 0.00 0.00 0.05 0.00 0.00 54.13 53.34 3f1f s LEU 21 Cb -0.04 -0.27 0.00 0.00 -2.05 0.00 0.00 46.19 43.83 3f1f s LEU 21 CO 0.80 -0.48 0.00 0.61 -0.55 0.00 0.00 176.35 176.73 3f1f n GLY 22 N -0.36 0.15 3.74 -3.48 0.00 0.22 -4.99 105.19 100.47 3f1f n GLY 22 Ca -0.06 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 3f1f n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1f s VAL 23 N -2.09 3.15 -0.20 1.61 1.01 -1.26 -0.97 120.40 121.65 3f1f s VAL 23 Ca 0.00 0.95 0.12 0.00 0.00 0.00 0.00 61.98 63.06 3f1f s VAL 23 Cb 0.00 -3.61 -0.21 0.00 0.00 0.00 0.00 36.38 32.56 3f1f s VAL 23 CO 0.00 0.14 -0.01 0.29 0.00 0.00 0.00 175.10 175.52 3f1f n LYS 24 N 2.60 0.88 -4.81 2.72 4.76 0.12 -4.91 118.16 119.52 3f1f n LYS 24 Ca 0.06 0.03 -0.27 0.00 -2.87 0.00 0.00 58.31 55.26 3f1f n LYS 24 Cb 0.42 -1.47 -0.17 0.00 -1.84 0.00 0.00 35.03 31.98 3f1f n LYS 24 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3f1f s ARG 25 N -2.45 2.09 0.59 1.97 3.00 -0.63 -4.99 118.95 118.53 3f1f s ARG 25 Ca -0.15 -0.58 0.02 0.00 0.00 0.00 0.00 55.73 55.02 3f1f s ARG 25 Cb 0.06 -1.68 0.06 0.00 0.00 0.00 0.00 34.95 33.40 3f1f s ARG 25 CO 0.70 0.11 0.83 0.71 0.00 0.00 0.00 175.30 177.64 3f1f s TYR 26 N 0.46 2.41 0.13 -0.53 4.12 -1.26 -4.87 117.35 117.82 3f1f s TYR 26 Ca -0.14 -0.15 -0.31 0.00 0.02 0.00 0.00 57.07 56.49 3f1f s TYR 26 Cb -0.16 -2.76 -0.09 0.00 -1.52 0.00 0.00 41.96 37.43 3f1f s TYR 26 CO 0.05 -1.10 1.47 -2.00 0.02 0.00 0.00 175.55 173.99 3f1f s GLU 27 N -4.84 4.27 0.00 -0.62 2.12 -1.26 -3.43 118.70 114.94 3f1f s GLU 27 Ca 0.60 2.20 0.00 0.00 0.36 0.00 0.00 54.97 58.13 3f1f s GLU 27 Cb -0.09 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.09 3f1f s GLU 27 CO 0.40 -0.51 0.00 0.41 -0.54 0.00 0.00 175.26 175.01 3f1f n GLY 28 N 3.61 0.57 2.87 -1.50 0.00 0.49 -5.00 105.19 106.24 3f1f n GLY 28 Ca 0.13 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 3f1f n GLY 28 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3f1f s GLN 29 N -3.09 0.06 0.65 1.61 0.74 -1.22 -4.95 119.66 113.45 3f1f s GLN 29 Ca 0.00 0.47 -0.18 0.00 0.05 0.00 0.00 55.36 55.69 3f1f s GLN 29 Cb 0.00 -0.23 -0.01 0.00 1.10 0.00 0.00 33.01 33.86 3f1f s GLN 29 CO 0.00 -0.24 1.30 0.08 -0.55 0.00 0.00 175.29 175.88 3f1f s VAL 30 N 1.76 2.02 -0.02 1.34 1.01 -1.26 -3.01 120.40 122.24 3f1f s VAL 30 Ca -0.03 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 3f1f s VAL 30 Cb -0.12 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.26 3f1f s VAL 30 CO -0.06 -0.00 0.05 0.68 0.00 0.00 0.00 175.10 175.77 3f1f s VAL 31 N -1.39 -0.00 0.96 2.92 -7.23 0.75 -4.94 120.40 111.48 3f1f s VAL 31 Ca 0.83 0.00 -0.16 0.00 -1.81 0.00 0.00 61.98 60.84 3f1f s VAL 31 Cb -0.38 -0.08 0.19 0.00 0.56 0.00 0.00 36.38 36.67 3f1f s VAL 31 CO 0.40 0.00 1.29 -0.13 -0.31 0.00 0.00 175.10 176.35 3f1f s ARG 32 N 0.04 0.64 -0.48 4.82 1.81 -1.26 -2.73 118.95 121.78 3f1f s ARG 32 Ca -0.00 -0.31 -0.26 0.00 -1.72 0.00 0.00 55.73 53.44 3f1f s ARG 32 Cb -0.00 -1.84 -0.06 0.00 -0.45 0.00 0.00 34.95 32.59 3f1f s ARG 32 CO 0.00 -2.43 2.36 0.00 -0.68 0.00 0.00 175.30 174.55 3f1f s ALA 33 N -3.77 1.73 0.00 2.13 0.00 -1.26 -3.44 121.76 117.15 3f1f s ALA 33 Ca 0.72 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.72 3f1f s ALA 33 Cb -0.05 -4.33 0.00 0.00 0.00 0.00 0.00 23.12 18.74 3f1f s ALA 33 CO 0.53 -4.32 0.00 0.41 0.00 0.00 0.00 175.76 172.38 3f1f n GLY 34 N 5.97 0.45 3.80 0.00 0.00 -1.04 -4.98 105.19 109.40 3f1f n GLY 34 Ca 0.35 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 3f1f n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f1f s ASN 35 N -2.80 6.99 0.65 1.61 2.20 -1.22 -4.38 114.94 117.99 3f1f s ASN 35 Ca 0.00 1.84 -0.18 0.00 -0.94 0.00 0.00 52.86 53.58 3f1f s ASN 35 Cb 0.00 -2.57 -0.01 0.00 -2.00 0.00 0.00 41.25 36.68 3f1f s ASN 35 CO 0.00 -0.32 1.24 -0.63 -2.94 0.00 0.00 177.10 174.45 3f1f s ILE 36 N -1.85 2.31 0.00 0.54 1.01 -1.26 -2.21 121.20 119.74 3f1f s ILE 36 Ca 0.57 0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.41 3f1f s ILE 36 Cb -0.16 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.31 3f1f s ILE 36 CO 0.20 -0.05 0.00 0.18 0.00 0.00 0.00 174.94 175.27 3f1f n LEU 37 N -1.97 0.50 -3.65 2.97 4.77 0.14 -4.55 117.00 115.20 3f1f n LEU 37 Ca 0.14 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.05 3f1f n LEU 37 Cb 0.49 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 3f1f n LEU 37 CO 0.46 0.08 0.26 -0.69 -1.33 0.00 0.00 177.39 176.18 3f1f s VAL 38 N -1.68 -0.16 -0.22 4.08 1.01 -0.94 0.15 120.40 122.63 3f1f s VAL 38 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 3f1f s VAL 38 Cb 0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 3f1f s VAL 38 CO 0.00 0.01 0.00 -0.13 0.00 0.00 0.00 175.10 174.98 3f1f s ARG 39 N 1.80 3.53 0.04 2.72 0.52 -0.14 -0.86 118.95 126.54 3f1f s ARG 39 Ca -0.09 -0.55 0.02 0.00 -0.52 0.00 0.00 55.73 54.58 3f1f s ARG 39 Cb -0.07 -3.11 -0.02 0.00 0.52 0.00 0.00 34.95 32.27 3f1f s ARG 39 CO -0.18 -0.13 -0.07 1.14 0.02 0.00 0.00 175.30 176.09 3f1f s GLN 40 N 1.35 0.48 0.10 3.54 -2.07 -1.26 -0.61 119.66 121.19 3f1f s GLN 40 Ca 0.04 -0.73 -0.21 0.00 -1.82 0.00 0.00 55.36 52.65 3f1f s GLN 40 Cb -0.15 -0.19 -0.10 0.00 -1.09 0.00 0.00 33.01 31.49 3f1f s GLN 40 CO 0.00 0.02 1.69 0.00 -1.32 0.00 0.00 175.29 175.69 3f1f h ARG 41 N 4.51 0.21 0.00 9.60 3.08 -1.93 -3.44 114.38 126.42 3f1f h ARG 41 Ca -0.35 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.68 3f1f h ARG 41 Cb 1.20 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3f1f h ARG 41 CO 0.41 0.23 0.00 0.41 -1.07 0.00 0.00 179.97 179.95 3f1f n GLY 42 N -0.91 1.64 2.58 0.04 0.00 -1.26 -4.94 105.19 102.33 3f1f n GLY 42 Ca -0.04 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 3f1f n GLY 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3f1f n THR 43 N 0.00 1.53 0.32 2.61 -1.04 -1.26 -4.73 114.28 111.71 3f1f n THR 43 Ca 0.00 -3.98 0.20 0.00 -2.04 0.00 0.00 64.05 58.23 3f1f n THR 43 Cb 0.00 -0.22 1.10 0.00 -1.82 0.00 0.00 70.33 69.40 3f1f n THR 43 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3f1f h ARG 44 N 2.84 0.00 -4.09 -2.82 3.08 -1.95 -3.41 114.38 108.03 3f1f h ARG 44 Ca 0.07 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.92 3f1f h ARG 44 Cb 1.04 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.87 3f1f h ARG 44 CO 0.65 0.00 -0.71 -0.06 -1.07 0.00 0.00 179.97 178.78 3f1f s PHE 45 N -4.31 0.33 0.28 3.04 0.40 -1.26 -4.47 117.98 112.00 3f1f s PHE 45 Ca -0.05 -0.46 0.09 0.00 -0.60 0.00 0.00 56.93 55.90 3f1f s PHE 45 Cb 0.14 -0.22 -0.04 0.00 0.51 0.00 0.00 43.02 43.40 3f1f s PHE 45 CO 0.45 -0.15 0.07 0.15 0.70 0.00 0.00 175.22 176.45 3f1f s LYS 46 N -1.32 2.44 0.00 0.44 1.02 0.30 -4.99 119.74 117.63 3f1f s LYS 46 Ca -0.13 -1.38 0.00 0.00 0.02 0.00 0.00 55.97 54.49 3f1f s LYS 46 Cb -0.09 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 3f1f s LYS 46 CO -0.01 0.31 0.00 -0.35 -0.92 0.00 0.00 175.35 174.38 3f1f n PRO 47 N -1.02 2.67 -3.86 -1.68 -0.04 -1.26 -2.70 135.00 127.11 3f1f n PRO 47 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3f1f n PRO 47 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 3f1f n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3f1f n GLY 48 N 0.00 -1.18 3.53 0.55 0.00 -1.07 -2.91 105.19 104.11 3f1f n GLY 48 Ca 0.00 -1.14 -0.47 0.00 0.00 0.00 0.00 46.02 44.40 3f1f n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f1f n LYS 49 N 0.00 1.57 -3.52 1.61 5.02 -1.26 -1.68 118.16 119.90 3f1f n LYS 49 Ca 0.00 0.45 -0.21 0.00 -2.02 0.00 0.00 58.31 56.52 3f1f n LYS 49 Cb 0.00 -2.82 0.08 0.00 -0.02 0.00 0.00 35.03 32.27 3f1f n LYS 49 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3f1f n ASN 50 N 10.35 -4.95 -3.43 4.39 3.02 -1.26 -1.99 115.26 121.39 3f1f n ASN 50 Ca 0.35 -0.56 -0.19 0.00 -0.03 0.00 0.00 54.58 54.15 3f1f n ASN 50 Cb 0.33 -4.99 -0.11 0.00 -0.61 0.00 0.00 39.78 34.40 3f1f n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3f1f s VAL 51 N -3.33 -0.35 0.68 2.41 1.01 -0.67 -1.97 120.40 118.18 3f1f s VAL 51 Ca 0.39 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.95 3f1f s VAL 51 Cb -0.17 -0.93 0.12 0.00 0.00 0.00 0.00 36.38 35.40 3f1f s VAL 51 CO 0.72 -0.46 0.93 -0.83 0.00 0.00 0.00 175.10 175.47 3f1f s GLY 52 N 2.32 1.74 -0.06 4.51 0.00 -1.18 -2.58 107.32 112.07 3f1f s GLY 52 Ca 0.09 -1.96 -0.06 0.00 0.00 0.00 0.00 44.72 42.78 3f1f s GLY 52 CO -0.30 -1.41 0.17 -3.16 0.00 0.00 0.00 173.10 168.41 3f1f s MET 53 N -4.98 0.25 0.29 2.90 0.23 -1.26 -2.47 119.30 114.26 3f1f s MET 53 Ca 0.65 0.15 -0.00 0.00 -1.03 0.00 0.00 55.69 55.47 3f1f s MET 53 Cb -0.05 0.12 0.06 0.00 -1.53 0.00 0.00 34.83 33.43 3f1f s MET 53 CO 0.43 -0.04 0.40 0.41 -2.03 0.00 0.00 175.02 174.19 3f1f n GLY 54 N 2.76 0.74 0.28 3.16 0.00 -0.78 -4.89 105.19 106.45 3f1f n GLY 54 Ca -0.14 -1.99 0.07 0.00 0.00 0.00 0.00 46.02 43.96 3f1f n GLY 54 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3f1f h ARG 55 N 0.00 0.30 -0.53 1.61 3.08 -2.02 0.93 114.38 117.75 3f1f h ARG 55 Ca -0.13 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.90 3f1f h ARG 55 Cb 0.49 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3f1f h ARG 55 CO 0.14 0.20 0.00 -0.40 -1.07 0.00 0.00 179.97 178.84 3f1f n ASP 56 N -5.12 1.57 -0.37 7.04 5.75 -1.26 -4.82 116.55 119.34 3f1f n ASP 56 Ca 0.15 -2.11 -0.05 0.00 -0.01 0.00 0.00 54.79 52.77 3f1f n ASP 56 Cb 0.48 -0.33 -0.02 0.00 -1.03 0.00 0.00 41.12 40.22 3f1f n ASP 56 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3f1f n PHE 57 N 0.10 0.00 -1.84 2.11 3.72 0.32 -4.59 117.46 117.28 3f1f n PHE 57 Ca 0.07 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.12 3f1f n PHE 57 Cb 0.32 -1.30 0.05 0.00 -0.94 0.00 0.00 39.48 37.60 3f1f n PHE 57 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3f1f s THR 58 N -2.02 2.70 -0.15 4.37 2.01 -1.25 -4.43 115.64 116.87 3f1f s THR 58 Ca 0.00 0.39 0.01 0.00 0.31 0.00 0.00 61.69 62.40 3f1f s THR 58 Cb 0.00 -3.05 0.02 0.00 0.01 0.00 0.00 72.50 69.48 3f1f s THR 58 CO 0.00 -0.14 -0.16 -0.76 -0.69 0.00 0.00 174.62 172.87 3f1f s LEU 59 N -4.47 1.83 0.11 4.42 1.43 -0.04 -1.87 118.68 120.08 3f1f s LEU 59 Ca 0.74 -0.52 0.04 0.00 -1.03 0.00 0.00 54.13 53.36 3f1f s LEU 59 Cb -0.28 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 3f1f s LEU 59 CO 0.37 -0.02 -0.10 0.72 0.23 0.00 0.00 176.35 177.55 3f1f s PHE 60 N 1.30 1.08 0.45 0.29 -0.12 -1.03 0.24 117.98 120.19 3f1f s PHE 60 Ca 0.02 -0.70 -0.22 0.00 -0.05 0.00 0.00 56.93 55.98 3f1f s PHE 60 Cb -0.13 -0.59 -0.08 0.00 -0.63 0.00 0.00 43.02 41.59 3f1f s PHE 60 CO -0.09 0.00 1.06 0.00 -0.05 0.00 0.00 175.22 176.14 3f1f s ALA 61 N -2.72 2.95 -0.32 1.99 0.00 -0.94 -3.13 121.76 119.60 3f1f s ALA 61 Ca 0.08 0.69 0.12 0.00 0.00 0.00 0.00 51.96 52.85 3f1f s ALA 61 Cb -0.01 -3.28 -0.15 0.00 0.00 0.00 0.00 23.12 19.68 3f1f s ALA 61 CO -0.00 -0.34 0.39 1.28 0.00 0.00 0.00 175.76 177.09 3f1f n LEU 62 N -0.59 0.31 -4.17 0.00 4.77 -0.83 -2.49 117.00 114.00 3f1f n LEU 62 Ca 0.08 -0.29 -0.15 0.00 -0.03 0.00 0.00 56.01 55.62 3f1f n LEU 62 Cb 0.51 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 3f1f n LEU 62 CO 0.43 0.08 -0.04 0.68 -1.33 0.00 0.00 177.39 177.21 3f1f s VAL 63 N -2.40 0.00 0.00 4.08 -7.23 -1.26 -4.64 120.40 108.94 3f1f s VAL 63 Ca 0.01 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 3f1f s VAL 63 Cb 0.08 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.51 3f1f s VAL 63 CO 0.48 0.00 0.00 0.47 -0.31 0.00 0.00 175.10 175.74 3f1f n ASP 64 N -1.04 0.00 0.00 4.85 9.92 -1.26 -4.30 116.55 124.73 3f1f n ASP 64 Ca 0.03 -0.99 0.00 0.00 -0.53 0.00 0.00 54.79 53.30 3f1f n ASP 64 Cb 0.63 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 3f1f n ASP 64 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3f1f n GLY 65 N 5.00 -1.49 3.69 0.44 0.00 -1.11 -4.19 105.19 107.54 3f1f n GLY 65 Ca 0.00 -2.07 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 3f1f n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1f s VAL 66 N 0.00 3.91 -0.11 1.61 1.01 -1.17 -0.18 120.40 125.47 3f1f s VAL 66 Ca 0.00 -1.30 -0.15 0.00 0.00 0.00 0.00 61.98 60.53 3f1f s VAL 66 Cb 0.00 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 3f1f s VAL 66 CO 0.00 -0.08 0.36 -0.69 0.00 0.00 0.00 175.10 174.68 3f1f s VAL 67 N -1.68 5.22 -0.01 2.92 1.01 -1.16 0.71 120.40 127.41 3f1f s VAL 67 Ca 0.28 0.70 0.02 0.00 0.00 0.00 0.00 61.98 62.97 3f1f s VAL 67 Cb -0.10 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 3f1f s VAL 67 CO 0.20 0.44 -0.06 -1.83 0.00 0.00 0.00 175.10 173.84 3f1f s GLU 68 N 0.01 0.54 0.26 2.72 -1.05 0.83 -0.38 118.70 121.64 3f1f s GLU 68 Ca 0.20 -0.20 0.03 0.00 -0.15 0.00 0.00 54.97 54.85 3f1f s GLU 68 Cb -0.14 -0.53 -0.03 0.00 -0.44 0.00 0.00 34.13 32.98 3f1f s GLU 68 CO 0.08 0.10 0.41 -0.06 0.95 0.00 0.00 175.26 176.74 3f1f s PHE 69 N 0.01 3.47 -0.28 4.83 0.40 -1.26 -1.55 117.98 123.61 3f1f s PHE 69 Ca 0.00 0.14 -0.12 0.00 -0.60 0.00 0.00 56.93 56.35 3f1f s PHE 69 Cb -0.04 -1.70 0.10 0.00 0.51 0.00 0.00 43.02 41.89 3f1f s PHE 69 CO -0.00 0.35 0.63 -1.14 0.70 0.00 0.00 175.22 175.76 3f1f s GLN 70 N -3.95 0.60 -0.22 0.44 0.74 -0.70 -5.00 119.66 111.59 3f1f s GLN 70 Ca 0.36 1.29 -0.19 0.00 0.05 0.00 0.00 55.36 56.87 3f1f s GLN 70 Cb -0.10 0.47 -0.03 0.00 1.10 0.00 0.00 33.01 34.46 3f1f s GLN 70 CO 0.31 -0.18 0.56 0.34 -0.55 0.00 0.00 175.29 175.77 3f1f s ASP 71 N 2.26 6.57 -0.43 6.67 2.15 -1.26 -1.00 116.67 131.63 3f1f s ASP 71 Ca -0.08 0.69 0.04 0.00 0.43 0.00 0.00 52.55 53.63 3f1f s ASP 71 Cb -0.09 -2.31 0.47 0.00 -0.30 0.00 0.00 42.92 40.69 3f1f s ASP 71 CO -0.19 -0.25 1.56 0.54 -0.17 0.00 0.00 175.17 176.67 3f1f n ARG 72 N 5.11 2.94 0.00 4.34 1.74 0.33 -5.02 116.66 126.10 3f1f n ARG 72 Ca -0.03 -3.66 0.00 0.00 -0.77 0.00 0.00 57.85 53.39 3f1f n ARG 72 Cb 0.50 -2.20 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 3f1f n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f1f n GLY 73 N -0.87 3.08 0.53 -0.13 0.00 -1.25 -0.14 105.19 106.41 3f1f n GLY 73 Ca 0.49 0.02 0.34 0.00 0.00 0.00 0.00 46.02 46.87 3f1f n GLY 73 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3f1f h ARG 74 N 0.00 0.00 0.42 1.61 2.47 -2.05 -2.22 114.38 114.61 3f1f h ARG 74 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 3f1f h ARG 74 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3f1f h ARG 74 CO 0.00 0.00 -0.20 -0.07 0.56 0.00 0.00 179.97 180.26 3f1f h LEU 75 N 0.00 -0.48 0.00 3.04 3.38 -0.97 -3.50 115.31 116.78 3f1f h LEU 75 Ca 0.54 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3f1f h LEU 75 Cb 2.34 0.12 0.00 0.00 0.09 0.00 0.00 40.66 43.21 3f1f h LEU 75 CO -0.01 -0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.05 3f1f n GLY 76 N -0.20 -0.93 3.45 0.83 0.00 -0.84 -5.01 105.19 102.50 3f1f n GLY 76 Ca -0.10 -1.55 -0.35 0.00 0.00 0.00 0.00 46.02 44.02 3f1f n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1f s ARG 77 N -1.76 3.63 0.24 1.61 0.52 -1.26 -0.51 118.95 121.41 3f1f s ARG 77 Ca 0.00 -0.51 0.09 0.00 -0.52 0.00 0.00 55.73 54.78 3f1f s ARG 77 Cb 0.00 -3.09 -0.04 0.00 0.52 0.00 0.00 34.95 32.34 3f1f s ARG 77 CO 0.00 0.02 0.03 0.71 0.02 0.00 0.00 175.30 176.08 3f1f s TYR 78 N 0.99 2.80 -0.06 -0.53 1.51 -0.17 -0.54 117.35 121.35 3f1f s TYR 78 Ca 0.02 -0.18 -0.03 0.00 -1.01 0.00 0.00 57.07 55.87 3f1f s TYR 78 Cb -0.14 -1.28 0.04 0.00 -0.11 0.00 0.00 41.96 40.47 3f1f s TYR 78 CO 0.02 0.58 0.13 0.08 -1.11 0.00 0.00 175.55 175.24 3f1f s VAL 79 N -2.13 -0.11 0.16 0.71 1.01 -1.10 -1.72 120.40 117.23 3f1f s VAL 79 Ca 0.30 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.48 3f1f s VAL 79 Cb -0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 3f1f s VAL 79 CO 0.20 0.10 0.19 -1.38 0.00 0.00 0.00 175.10 174.21 3f1f s HIS 80 N 1.50 0.64 -0.26 5.22 -3.43 -0.60 -3.77 115.29 114.61 3f1f s HIS 80 Ca -0.05 -1.00 -0.09 0.00 -0.80 0.00 0.00 55.06 53.12 3f1f s HIS 80 Cb -0.12 -0.26 -0.04 0.00 -1.43 0.00 0.00 32.58 30.74 3f1f s HIS 80 CO -0.05 -0.65 0.12 0.08 -2.00 0.00 0.00 174.74 172.24 3f1f s VAL 81 N -4.02 4.75 -0.82 -5.38 1.01 -0.84 -0.12 120.40 114.99 3f1f s VAL 81 Ca 0.22 -0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.99 3f1f s VAL 81 Cb 0.05 -3.24 0.13 0.00 0.00 0.00 0.00 36.38 33.33 3f1f s VAL 81 CO 0.02 0.31 0.97 0.00 0.00 0.00 0.00 175.10 176.40 3f1f s ARG 82 N 1.58 3.43 1.26 2.72 1.70 0.22 -4.70 118.95 125.16 3f1f s ARG 82 Ca 0.06 -1.68 -0.15 0.00 -0.47 0.00 0.00 55.73 53.49 3f1f s ARG 82 Cb -0.15 -4.63 0.32 0.00 -0.57 0.00 0.00 34.95 29.92 3f1f s ARG 82 CO 0.06 -1.65 0.99 -1.25 -1.08 0.00 0.00 175.30 172.37 3f1f s PRO 83 N 2.43 -1.64 -0.25 3.89 0.04 -1.26 -3.06 135.00 135.14 3f1f s PRO 83 Ca 0.25 0.68 -0.27 0.00 0.04 0.00 0.00 61.00 61.70 3f1f s PRO 83 Cb -0.11 -1.48 0.16 0.00 0.04 0.00 0.00 34.50 33.11 3f1f s PRO 83 CO -0.04 -4.16 1.20 -0.48 0.04 0.00 0.00 177.00 173.55 3f1f s LEU 84 N -7.48 -0.24 0.00 -3.56 0.05 -1.26 -4.85 118.68 101.33 3f1f s LEU 84 Ca 0.69 0.38 0.00 0.00 0.05 0.00 0.00 54.13 55.25 3f1f s LEU 84 Cb -0.23 1.52 0.00 0.00 -2.05 0.00 0.00 46.19 45.42 3f1f s LEU 84 CO 0.64 -0.14 0.00 0.00 -0.55 0.00 0.00 176.35 176.30