#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0j s GLN 2 N 0.00 0.65 0.34 0.03 -0.21 -0.28 -5.00 119.66 115.18 3a0j s GLN 2 Ca 0.00 -0.98 0.10 0.00 0.02 0.00 0.00 55.36 54.50 3a0j s GLN 2 Cb 0.00 -0.27 -0.06 0.00 1.00 0.00 0.00 33.01 33.68 3a0j s GLN 2 CO 0.00 0.03 -0.09 -1.59 -2.12 0.00 0.00 175.29 171.52 3a0j s LYS 3 N -2.42 1.85 0.10 2.91 -2.85 -1.26 -1.30 119.74 116.77 3a0j s LYS 3 Ca -0.02 -1.89 -0.15 0.00 -1.00 0.00 0.00 55.97 52.91 3a0j s LYS 3 Cb -0.04 -1.75 0.05 0.00 -2.06 0.00 0.00 37.83 34.03 3a0j s LYS 3 CO -0.01 0.16 0.73 0.41 0.10 0.00 0.00 175.35 176.74 3a0j n GLY 4 N -0.80 0.75 3.08 0.59 0.00 -0.19 -4.77 105.19 103.85 3a0j n GLY 4 Ca -0.05 -1.06 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 3a0j n GLY 4 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3a0j s ARG 5 N -2.03 2.19 0.03 1.61 3.52 -0.82 -1.10 118.95 122.35 3a0j s ARG 5 Ca 0.16 -0.57 -0.30 0.00 -0.13 0.00 0.00 55.73 54.89 3a0j s ARG 5 Cb -0.02 -1.76 -0.07 0.00 -1.56 0.00 0.00 34.95 31.54 3a0j s ARG 5 CO 0.03 0.05 1.52 0.08 -0.81 0.00 0.00 175.30 176.17 3a0j s VAL 6 N 0.65 3.41 -0.02 7.11 1.01 0.21 0.07 120.40 132.84 3a0j s VAL 6 Ca -0.14 0.81 -0.02 0.00 0.00 0.00 0.00 61.98 62.63 3a0j s VAL 6 Cb -0.16 -3.52 -0.27 0.00 0.00 0.00 0.00 36.38 32.43 3a0j s VAL 6 CO 0.04 -0.01 0.77 0.50 0.00 0.00 0.00 175.10 176.41 3a0j h LYS 7 N 8.13 0.22 -1.70 2.72 3.64 -0.83 0.12 116.57 128.87 3a0j h LYS 7 Ca -0.40 -0.38 0.04 0.00 -1.27 0.00 0.00 60.65 58.63 3a0j h LYS 7 Cb 1.19 0.14 -0.24 0.00 -0.41 0.00 0.00 32.23 32.91 3a0j h LYS 7 CO 0.92 1.06 0.40 -0.46 -2.27 0.00 0.00 179.45 179.10 3a0j s TRP 8 N -2.61 -0.52 -0.12 1.91 -0.00 -1.17 -4.75 118.94 111.69 3a0j s TRP 8 Ca -0.10 1.13 -0.05 0.00 -0.00 0.00 0.00 56.10 57.08 3a0j s TRP 8 Cb 0.07 0.38 0.05 0.00 -0.00 0.00 0.00 33.47 33.97 3a0j s TRP 8 CO 0.84 -0.33 0.26 0.12 -0.00 0.00 0.00 176.95 177.84 3a0j s PHE 9 N -0.27 -0.37 -0.52 5.86 2.19 -1.26 -1.36 117.98 122.24 3a0j s PHE 9 Ca -0.00 0.86 -0.19 0.00 0.33 0.00 0.00 56.93 57.93 3a0j s PHE 9 Cb -0.03 0.02 0.07 0.00 -1.31 0.00 0.00 43.02 41.77 3a0j s PHE 9 CO -0.01 -0.28 0.63 1.21 1.83 0.00 0.00 175.22 178.60 3a0j s ASN 10 N 1.67 6.21 0.27 6.13 3.84 0.31 -4.81 114.94 128.56 3a0j s ASN 10 Ca -0.06 -1.04 -0.04 0.00 0.21 0.00 0.00 52.86 51.94 3a0j s ASN 10 Cb -0.11 -2.29 0.36 0.00 -0.55 0.00 0.00 41.25 38.66 3a0j s ASN 10 CO -0.09 -0.93 1.91 0.00 -2.79 0.00 0.00 177.10 175.20 3a0j h ALA 11 N 9.03 1.29 -0.61 1.71 0.00 -1.88 0.84 119.26 129.64 3a0j h ALA 11 Ca -0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3a0j h ALA 11 Cb 1.09 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3a0j h ALA 11 CO 0.99 0.59 0.31 1.49 0.00 0.00 0.00 179.25 182.63 3a0j h GLU 12 N 1.13 0.87 0.00 0.00 4.57 -1.96 -3.11 114.58 116.08 3a0j h GLU 12 Ca 0.29 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 3a0j h GLU 12 Cb -0.01 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 3a0j h GLU 12 CO -0.05 0.69 -0.69 1.63 -1.18 0.00 0.00 179.01 179.40 3a0j n LYS 13 N -4.53 0.22 -2.23 1.92 5.02 -0.96 -4.97 118.16 112.62 3a0j n LYS 13 Ca 0.04 0.04 -0.06 0.00 -2.02 0.00 0.00 58.31 56.31 3a0j n LYS 13 Cb 0.11 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 3a0j n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a0j n GLY 14 N 1.38 0.18 3.45 0.72 0.00 0.25 -4.99 105.19 106.18 3a0j n GLY 14 Ca 0.03 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 3a0j n GLY 14 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3a0j s TYR 15 N -2.44 -0.33 0.00 1.61 -0.85 -1.17 -0.93 117.35 113.24 3a0j s TYR 15 Ca 0.03 0.05 0.00 0.00 -0.52 0.00 0.00 57.07 56.63 3a0j s TYR 15 Cb -0.01 0.46 0.00 0.00 0.38 0.00 0.00 41.96 42.78 3a0j s TYR 15 CO 0.04 -0.86 0.00 0.41 -1.52 0.00 0.00 175.55 173.62 3a0j n GLY 16 N -0.34 2.28 2.97 5.49 0.00 0.13 -0.53 105.19 115.19 3a0j n GLY 16 Ca -0.14 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 3a0j n GLY 16 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a0j s PHE 17 N -5.81 0.53 -0.10 1.61 0.40 -0.47 -0.68 117.98 113.46 3a0j s PHE 17 Ca 0.00 -0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 3a0j s PHE 17 Cb 0.00 -0.34 -0.02 0.00 0.51 0.00 0.00 43.02 43.17 3a0j s PHE 17 CO 0.00 -0.01 -0.10 0.42 0.70 0.00 0.00 175.22 176.23 3a0j s ILE 18 N -0.15 3.36 0.05 0.64 1.01 0.22 -0.09 121.20 126.25 3a0j s ILE 18 Ca 0.02 -0.58 -0.21 0.00 0.00 0.00 0.00 60.65 59.89 3a0j s ILE 18 Cb -0.02 -2.40 -0.06 0.00 0.01 0.00 0.00 42.46 39.99 3a0j s ILE 18 CO -0.00 0.55 0.62 -0.70 0.00 0.00 0.00 174.94 175.41 3a0j s GLU 19 N -0.14 4.31 0.01 2.79 2.12 0.11 -0.68 118.70 127.22 3a0j s GLU 19 Ca 0.00 0.81 0.08 0.00 0.36 0.00 0.00 54.97 56.22 3a0j s GLU 19 Cb -0.13 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 3a0j s GLU 19 CO 0.03 0.50 -0.24 1.03 -0.54 0.00 0.00 175.26 176.04 3a0j s ARG 20 N -0.68 2.04 -0.16 4.30 0.52 -1.26 -1.94 118.95 121.77 3a0j s ARG 20 Ca 0.31 -0.98 -0.29 0.00 -0.52 0.00 0.00 55.73 54.26 3a0j s ARG 20 Cb -0.20 -2.07 -0.05 0.00 0.52 0.00 0.00 34.95 33.16 3a0j s ARG 20 CO 0.19 0.55 1.93 -2.00 0.02 0.00 0.00 175.30 175.99 3a0j s GLU 21 N -0.94 3.62 -1.11 3.54 2.12 -1.26 -2.35 118.70 122.33 3a0j s GLU 21 Ca 0.11 2.01 0.00 0.00 0.36 0.00 0.00 54.97 57.45 3a0j s GLU 21 Cb -0.10 -4.20 0.00 0.00 0.26 0.00 0.00 34.13 30.09 3a0j s GLU 21 CO 0.01 -1.53 0.00 0.41 -0.54 0.00 0.00 175.26 173.61 3a0j n GLY 22 N 5.06 0.36 3.50 -1.50 0.00 -1.26 -4.98 105.19 106.37 3a0j n GLY 22 Ca 0.23 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 3a0j n GLY 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a0j s ASP 23 N -2.60 0.33 0.55 1.61 -1.08 -0.99 -5.16 116.67 109.33 3a0j s ASP 23 Ca 0.00 -1.22 -0.15 0.00 -0.52 0.00 0.00 52.55 50.66 3a0j s ASP 23 Cb 0.00 0.59 -0.06 0.00 -1.46 0.00 0.00 42.92 41.98 3a0j s ASP 23 CO 0.00 -1.16 1.00 0.28 0.52 0.00 0.00 175.17 175.81 3a0j s THR 24 N -3.64 4.47 0.74 1.71 -1.32 -1.26 -4.41 115.64 111.92 3a0j s THR 24 Ca 0.28 1.10 -0.14 0.00 -1.21 0.00 0.00 61.69 61.72 3a0j s THR 24 Cb 0.01 -3.70 0.04 0.00 -1.51 0.00 0.00 72.50 67.34 3a0j s THR 24 CO 0.14 -0.76 1.18 -1.81 -2.21 0.00 0.00 174.62 171.16 3a0j s ASP 25 N -3.26 4.26 -0.12 8.08 1.01 -1.26 -4.43 116.67 120.95 3a0j s ASP 25 Ca 0.59 2.26 0.02 0.00 0.71 0.00 0.00 52.55 56.13 3a0j s ASP 25 Cb -0.11 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.24 3a0j s ASP 25 CO 0.37 -2.22 -0.19 -0.69 0.21 0.00 0.00 175.17 172.65 3a0j s VAL 26 N -2.14 2.49 0.28 -1.27 1.01 0.14 -4.41 120.40 116.50 3a0j s VAL 26 Ca 0.72 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 3a0j s VAL 26 Cb -0.27 -2.01 -0.10 0.00 0.00 0.00 0.00 36.38 34.01 3a0j s VAL 26 CO 0.46 0.54 1.09 0.12 0.00 0.00 0.00 175.10 177.31 3a0j s PHE 27 N 0.43 3.60 -0.06 5.22 2.19 0.71 -0.61 117.98 129.46 3a0j s PHE 27 Ca -0.14 1.71 0.01 0.00 0.33 0.00 0.00 56.93 58.84 3a0j s PHE 27 Cb -0.17 -3.27 0.02 0.00 -1.31 0.00 0.00 43.02 38.29 3a0j s PHE 27 CO 0.06 -0.51 -0.08 0.54 1.83 0.00 0.00 175.22 177.07 3a0j s VAL 28 N -1.14 0.82 0.20 3.12 0.11 0.15 -0.57 120.40 123.08 3a0j s VAL 28 Ca 0.44 -0.27 0.04 0.00 -2.93 0.00 0.00 61.98 59.27 3a0j s VAL 28 Cb -0.32 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 33.69 3a0j s VAL 28 CO 0.41 0.29 0.28 -2.28 -3.33 0.00 0.00 175.10 170.48 3a0j s HIS 29 N 0.96 3.38 0.19 1.54 2.46 -1.26 -0.70 115.29 121.86 3a0j s HIS 29 Ca -0.10 0.02 0.25 0.00 0.47 0.00 0.00 55.06 55.70 3a0j s HIS 29 Cb -0.15 -1.58 1.02 0.00 -0.13 0.00 0.00 32.58 31.75 3a0j s HIS 29 CO 0.00 0.49 1.87 0.10 -2.47 0.00 0.00 174.74 174.73 3a0j h TYR 30 N 1.71 0.00 0.00 3.88 -0.00 -1.39 -0.33 116.97 120.84 3a0j h TYR 30 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.23 3a0j h TYR 30 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.94 3a0j h TYR 30 CO 0.51 0.21 0.00 1.79 -0.00 0.00 0.00 178.16 180.67 3a0j h THR 31 N 0.00 0.00 -0.00 -0.90 1.35 -1.94 -2.42 112.91 109.00 3a0j h THR 31 Ca -0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3a0j h THR 31 Cb 0.67 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 3a0j h THR 31 CO 0.03 0.00 -0.07 0.00 -0.25 0.00 0.00 175.52 175.23 3a0j n ALA 32 N -2.04 2.55 -2.66 6.62 0.00 -0.13 -4.87 120.51 119.98 3a0j n ALA 32 Ca -0.01 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 3a0j n ALA 32 Cb 0.19 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.18 3a0j n ALA 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3a0j s ILE 33 N -2.86 4.82 0.62 0.00 1.01 -0.91 -1.05 121.20 122.82 3a0j s ILE 33 Ca 0.18 1.70 -0.19 0.00 0.00 0.00 0.00 60.65 62.34 3a0j s ILE 33 Cb 0.19 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 3a0j s ILE 33 CO 0.53 -0.05 1.25 0.59 0.00 0.00 0.00 174.94 177.26 3a0j n ASN 34 N 5.70 2.00 -4.57 3.58 3.02 0.41 -4.88 115.26 120.52 3a0j n ASN 34 Ca 0.06 0.86 -0.37 0.00 -0.03 0.00 0.00 54.58 55.11 3a0j n ASN 34 Cb 0.48 -1.53 -0.03 0.00 -0.61 0.00 0.00 39.78 38.09 3a0j n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a0j s ALA 35 N -1.38 2.58 -0.08 5.41 0.00 -1.26 -4.63 121.76 122.39 3a0j s ALA 35 Ca 0.79 -2.35 0.20 0.00 0.00 0.00 0.00 51.96 50.60 3a0j s ALA 35 Cb -0.40 -4.60 0.42 0.00 0.00 0.00 0.00 23.12 18.54 3a0j s ALA 35 CO 0.44 -4.02 1.19 1.63 0.00 0.00 0.00 175.76 175.00 3a0j n LYS 36 N 8.60 0.63 0.00 0.00 5.02 -1.26 -4.99 118.16 126.16 3a0j n LYS 36 Ca 0.42 -2.52 0.00 0.00 -2.02 0.00 0.00 58.31 54.19 3a0j n LYS 36 Cb 0.48 -0.65 0.00 0.00 -0.02 0.00 0.00 35.03 34.84 3a0j n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a0j n GLY 37 N -0.15 1.86 3.22 0.72 0.00 -1.26 -5.05 105.19 104.53 3a0j n GLY 37 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3a0j n GLY 37 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a0j s PHE 38 N -1.94 2.66 -1.76 1.61 0.08 -1.26 -4.98 117.98 112.38 3a0j s PHE 38 Ca 0.00 -1.14 0.25 0.00 0.12 0.00 0.00 56.93 56.16 3a0j s PHE 38 Cb 0.00 -1.79 0.43 0.00 -0.57 0.00 0.00 43.02 41.08 3a0j s PHE 38 CO 0.00 -0.49 1.36 0.54 -0.10 0.00 0.00 175.22 176.53 3a0j n ARG 39 N 3.84 0.87 -4.34 0.44 1.74 -1.26 -4.87 116.66 113.08 3a0j n ARG 39 Ca -0.19 -0.61 -0.17 0.00 -0.77 0.00 0.00 57.85 56.11 3a0j n ARG 39 Cb 0.52 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.37 3a0j n ARG 39 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3a0j s THR 40 N -2.55 0.82 0.26 0.55 -4.23 -1.26 -4.93 115.64 104.29 3a0j s THR 40 Ca 0.21 -2.01 0.09 0.00 -1.18 0.00 0.00 61.69 58.80 3a0j s THR 40 Cb 0.19 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.45 3a0j s THR 40 CO 0.57 -0.14 0.01 -0.76 -0.54 0.00 0.00 174.62 173.76 3a0j s LEU 41 N -3.33 3.25 0.05 4.79 1.43 -1.26 -5.08 118.68 118.53 3a0j s LEU 41 Ca 0.34 -0.60 0.09 0.00 -1.03 0.00 0.00 54.13 52.93 3a0j s LEU 41 Cb 0.07 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 3a0j s LEU 41 CO 0.12 0.01 -0.26 0.20 0.23 0.00 0.00 176.35 176.65 3a0j s ASN 42 N -3.62 3.08 0.12 2.29 -0.87 -1.26 -4.67 114.94 110.00 3a0j s ASN 42 Ca 0.31 -0.60 -0.35 0.00 -1.57 0.00 0.00 52.86 50.65 3a0j s ASN 42 Cb -0.07 -0.27 -0.17 0.00 -0.02 0.00 0.00 41.25 40.73 3a0j s ASN 42 CO 0.20 0.24 1.21 1.21 -2.57 0.00 0.00 177.10 177.39 3a0j n GLU 43 N 1.69 1.01 0.00 -0.60 2.13 -1.26 -1.06 120.64 122.56 3a0j n GLU 43 Ca -0.17 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.01 3a0j n GLU 43 Cb 0.52 -1.91 0.00 0.00 0.27 0.00 0.00 31.44 30.32 3a0j n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a0j n GLY 44 N 2.18 3.24 3.62 8.31 0.00 0.40 -4.72 105.19 118.22 3a0j n GLY 44 Ca 0.17 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 3a0j n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a0j n ASP 45 N 0.04 1.94 -4.72 1.61 8.00 -0.22 -4.47 116.55 118.73 3a0j n ASP 45 Ca 0.00 1.15 -0.39 0.00 0.71 0.00 0.00 54.79 56.26 3a0j n ASP 45 Cb 0.00 -1.32 -0.05 0.00 -0.02 0.00 0.00 41.12 39.72 3a0j n ASP 45 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3a0j s ILE 46 N -0.37 5.07 0.08 0.53 -1.09 -0.07 -0.62 121.20 124.73 3a0j s ILE 46 Ca 0.67 1.32 0.03 0.00 -2.23 0.00 0.00 60.65 60.44 3a0j s ILE 46 Cb -0.73 -3.98 -0.03 0.00 -1.58 0.00 0.00 42.46 36.13 3a0j s ILE 46 CO 0.53 0.28 -0.08 0.68 -1.23 0.00 0.00 174.94 175.12 3a0j s VAL 47 N 0.69 0.73 0.21 2.92 -7.23 -0.26 -0.05 120.40 117.41 3a0j s VAL 47 Ca 0.34 -1.56 0.07 0.00 -1.81 0.00 0.00 61.98 59.02 3a0j s VAL 47 Cb -0.17 -1.23 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 3a0j s VAL 47 CO 0.16 -0.61 0.09 0.42 -0.31 0.00 0.00 175.10 174.85 3a0j s THR 48 N -2.50 4.08 0.11 5.32 -4.23 -0.00 -1.02 115.64 117.39 3a0j s THR 48 Ca 0.03 -1.41 -0.26 0.00 -1.18 0.00 0.00 61.69 58.87 3a0j s THR 48 Cb -0.02 -3.12 0.08 0.00 1.34 0.00 0.00 72.50 70.77 3a0j s THR 48 CO -0.02 -0.22 1.03 0.72 -0.54 0.00 0.00 174.62 175.60 3a0j s PHE 49 N -1.94 -0.12 0.42 3.99 -0.12 -0.42 -1.29 117.98 118.50 3a0j s PHE 49 Ca 0.30 -0.14 0.07 0.00 -0.05 0.00 0.00 56.93 57.12 3a0j s PHE 49 Cb -0.09 0.61 -0.06 0.00 -0.63 0.00 0.00 43.02 42.86 3a0j s PHE 49 CO 0.22 -0.69 0.13 -0.51 -0.05 0.00 0.00 175.22 174.32 3a0j s ASP 50 N -2.93 4.27 -0.05 1.98 1.01 -0.26 -1.13 116.67 119.56 3a0j s ASP 50 Ca 0.12 -1.19 0.04 0.00 0.71 0.00 0.00 52.55 52.24 3a0j s ASP 50 Cb 0.00 -0.40 -0.00 0.00 1.01 0.00 0.00 42.92 43.53 3a0j s ASP 50 CO 0.00 -0.54 -0.18 -0.69 0.21 0.00 0.00 175.17 173.97 3a0j s VAL 51 N -2.65 1.48 0.16 -1.27 1.01 -1.26 -0.68 120.40 117.19 3a0j s VAL 51 Ca 0.38 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 3a0j s VAL 51 Cb 0.05 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 3a0j s VAL 51 CO 0.21 0.42 0.22 -1.83 0.00 0.00 0.00 175.10 174.12 3a0j s GLU 52 N 0.05 1.12 0.37 2.72 -1.05 -1.10 -4.96 118.70 115.85 3a0j s GLU 52 Ca -0.04 -1.29 -0.28 0.00 -0.15 0.00 0.00 54.97 53.20 3a0j s GLU 52 Cb -0.12 0.34 -0.11 0.00 -0.44 0.00 0.00 34.13 33.79 3a0j s GLU 52 CO 0.02 -0.39 1.47 -2.30 0.95 0.00 0.00 175.26 175.02 3a0j n PRO 53 N -0.20 2.61 -4.28 -4.83 -0.02 -1.26 -4.34 135.00 122.68 3a0j n PRO 53 Ca -0.06 0.91 -0.16 0.00 -2.02 0.00 0.00 63.50 62.18 3a0j n PRO 53 Cb 0.63 -2.63 -0.10 0.00 -0.02 0.00 0.00 33.50 31.39 3a0j n PRO 53 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3a0j s GLY 54 N -0.10 1.81 0.00 -1.23 0.00 -1.26 -5.04 107.32 101.50 3a0j s GLY 54 Ca 0.54 -1.79 0.23 0.00 0.00 0.00 0.00 44.72 43.70 3a0j s GLY 54 CO 0.62 -1.51 1.13 -2.13 0.00 0.00 0.00 173.10 171.22 3a0j n ARG 55 N -0.45 1.15 0.12 2.90 0.63 -1.26 -4.73 116.66 115.01 3a0j n ARG 55 Ca 0.02 -0.93 0.03 0.00 -0.92 0.00 0.00 57.85 56.05 3a0j n ARG 55 Cb 0.65 -1.48 0.01 0.00 0.45 0.00 0.00 32.46 32.09 3a0j n ARG 55 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 3a0j h ASN 56 N 2.27 0.00 -2.91 6.15 4.21 -1.97 -3.48 115.58 119.84 3a0j h ASN 56 Ca 0.00 0.00 -0.42 0.00 1.21 0.00 0.00 56.30 57.09 3a0j h ASN 56 Cb 0.73 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.90 3a0j h ASN 56 CO 0.00 0.46 -0.53 0.61 -1.29 0.00 0.00 177.43 176.68 3a0j n GLY 57 N 1.26 -0.38 1.14 2.83 0.00 -1.26 -4.91 105.19 103.88 3a0j n GLY 57 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 3a0j n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a0j n LYS 58 N -2.99 1.85 0.00 1.61 5.02 -1.26 -5.08 118.16 117.32 3a0j n LYS 58 Ca -0.25 -3.24 0.00 0.00 -2.02 0.00 0.00 58.31 52.80 3a0j n LYS 58 Cb 0.69 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 3a0j n LYS 58 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a0j n GLY 59 N -1.12 0.44 3.59 0.72 0.00 -1.26 -4.34 105.19 103.23 3a0j n GLY 59 Ca 0.32 -2.10 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 3a0j n GLY 59 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3a0j n PRO 60 N 0.09 1.01 -5.16 1.61 -0.02 -1.26 -4.57 135.00 126.71 3a0j n PRO 60 Ca 0.00 0.38 -0.30 0.00 -2.02 0.00 0.00 63.50 61.56 3a0j n PRO 60 Cb 0.00 -2.05 -0.16 0.00 -0.02 0.00 0.00 33.50 31.27 3a0j n PRO 60 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3a0j s GLN 61 N -2.38 2.27 0.29 -0.52 0.74 -1.26 -0.21 119.66 118.60 3a0j s GLN 61 Ca 0.70 -0.83 -0.18 0.00 0.05 0.00 0.00 55.36 55.09 3a0j s GLN 61 Cb -0.47 -1.98 -0.09 0.00 1.10 0.00 0.00 33.01 31.57 3a0j s GLN 61 CO 0.52 0.38 0.76 0.00 -0.55 0.00 0.00 175.29 176.40 3a0j s ALA 62 N -0.20 3.33 0.21 1.58 0.00 0.26 -2.69 121.76 124.25 3a0j s ALA 62 Ca -0.01 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.12 3a0j s ALA 62 Cb -0.12 -2.85 -0.05 0.00 0.00 0.00 0.00 23.12 20.10 3a0j s ALA 62 CO 0.02 0.30 0.04 0.14 0.00 0.00 0.00 175.76 176.27 3a0j s VAL 63 N -1.78 0.65 -1.21 0.00 -7.23 0.14 -4.70 120.40 106.28 3a0j s VAL 63 Ca 0.50 -1.99 -0.08 0.00 -1.81 0.00 0.00 61.98 58.60 3a0j s VAL 63 Cb -0.13 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 3a0j s VAL 63 CO 0.19 -0.28 0.76 -3.20 -0.31 0.00 0.00 175.10 172.26 3a0j n ASN 64 N -0.34 -3.44 -4.71 4.85 5.15 -1.19 -1.10 115.26 114.47 3a0j n ASN 64 Ca -0.04 -0.87 -0.37 0.00 -0.60 0.00 0.00 54.58 52.69 3a0j n ASN 64 Cb 0.64 -3.99 -0.07 0.00 -0.53 0.00 0.00 39.78 35.84 3a0j n ASN 64 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3a0j s VAL 65 N -3.57 5.23 -0.03 3.44 1.01 -0.22 -4.11 120.40 122.15 3a0j s VAL 65 Ca 0.24 0.77 0.04 0.00 0.00 0.00 0.00 61.98 63.02 3a0j s VAL 65 Cb -0.07 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 3a0j s VAL 65 CO 0.82 0.33 -0.13 -0.89 0.00 0.00 0.00 175.10 175.22 3a0j s THR 66 N 0.75 1.12 0.28 3.92 2.01 -0.41 -0.44 115.64 122.87 3a0j s THR 66 Ca 0.21 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.36 3a0j s THR 66 Cb -0.14 -0.97 -0.10 0.00 0.01 0.00 0.00 72.50 71.30 3a0j s THR 66 CO 0.08 0.33 1.27 -0.69 -0.69 0.00 0.00 174.62 174.91 3a0j s VAL 67 N 0.04 3.03 -0.14 3.82 1.01 -1.26 -0.82 120.40 126.08 3a0j s VAL 67 Ca -0.02 0.97 -0.13 0.00 0.00 0.00 0.00 61.98 62.79 3a0j s VAL 67 Cb -0.09 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 3a0j s VAL 67 CO 0.01 0.20 -0.26 0.52 0.00 0.00 0.00 175.10 175.57 3a0j n VAL 68 N 1.48 1.19 -4.02 2.92 0.31 0.93 -4.89 118.33 116.25 3a0j n VAL 68 Ca 0.02 0.22 -0.31 0.00 -0.01 0.00 0.00 64.34 64.26 3a0j n VAL 68 Cb 0.43 -2.18 -0.15 0.00 -0.91 0.00 0.00 33.84 31.02 3a0j n VAL 68 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3a0j s GLU 69 N -2.46 2.06 0.63 5.55 2.02 -1.03 -4.98 118.70 120.48 3a0j s GLU 69 Ca -0.22 -1.12 -0.18 0.00 0.02 0.00 0.00 54.97 53.48 3a0j s GLU 69 Cb 0.03 -2.69 -0.02 0.00 0.10 0.00 0.00 34.13 31.55 3a0j s GLU 69 CO 0.32 -0.53 1.22 -2.14 0.02 0.00 0.00 175.26 174.15 3a0j s PRO 70 N 1.25 2.75 0.28 0.39 0.02 -1.26 -0.89 135.00 137.54 3a0j s PRO 70 Ca -0.06 1.85 -0.30 0.00 0.02 0.00 0.00 61.00 62.51 3a0j s PRO 70 Cb -0.19 -1.90 -0.12 0.00 0.02 0.00 0.00 34.50 32.31 3a0j s PRO 70 CO -0.06 -1.38 1.46 0.00 -0.33 0.00 0.00 177.00 176.69 3a0j n ALA 71 N -1.86 1.70 -2.79 -1.55 0.00 -1.26 -4.84 120.51 109.92 3a0j n ALA 71 Ca 0.14 0.39 -0.39 0.00 0.00 0.00 0.00 53.44 53.58 3a0j n ALA 71 Cb 0.49 -2.34 0.01 0.00 0.00 0.00 0.00 19.45 17.61 3a0j n ALA 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3a0j n ARG 72 N 1.79 4.84 0.00 0.00 3.00 -1.26 -4.98 116.66 120.05 3a0j n ARG 72 Ca 0.09 -4.67 0.00 0.00 -0.01 0.00 0.00 57.85 53.26 3a0j n ARG 72 Cb 0.34 -2.44 0.00 0.00 0.00 0.00 0.00 32.46 30.36 3a0j n ARG 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17