#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c6s n ASP 2 N 0.00 0.00 0.00 0.00 8.00 -1.26 -4.81 116.55 118.48 1c6s n ASP 2 Ca 0.00 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.57 1c6s n ASP 2 Cb 0.00 -0.72 0.33 0.00 -0.02 0.00 0.00 41.12 40.70 1c6s n ASP 2 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1c6s n LEU 3 N 0.00 0.00 0.14 0.64 4.77 -1.26 -1.60 117.00 119.70 1c6s n LEU 3 Ca 0.00 0.41 0.15 0.00 -0.03 0.00 0.00 56.01 56.54 1c6s n LEU 3 Cb 0.00 -0.41 0.70 0.00 -2.33 0.00 0.00 43.42 41.38 1c6s n LEU 3 CO 0.00 -0.21 1.13 0.00 -1.33 0.00 0.00 177.39 176.98 1c6s h ALA 4 N 2.57 2.16 -0.42 -1.18 0.00 -1.94 0.68 119.26 121.14 1c6s h ALA 4 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1c6s h ALA 4 Cb 0.20 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1c6s h ALA 4 CO 0.00 -0.32 -0.15 -0.91 0.00 0.00 0.00 179.25 177.86 1c6s h ASN 5 N 0.00 0.86 -0.31 0.00 2.35 -1.69 -3.03 115.58 113.75 1c6s h ASN 5 Ca 0.12 -0.38 0.05 0.00 -0.55 0.00 0.00 56.30 55.53 1c6s h ASN 5 Cb 0.51 -0.24 -0.08 0.00 0.05 0.00 0.00 38.32 38.56 1c6s h ASN 5 CO -0.00 1.05 -0.51 1.23 -1.65 0.00 0.00 177.43 177.55 1c6s h GLY 6 N 0.66 -0.88 0.09 2.83 0.00 0.25 0.48 103.07 106.49 1c6s h GLY 6 Ca 0.10 0.65 0.22 0.00 0.00 0.00 0.00 47.33 48.29 1c6s h GLY 6 CO 0.05 -0.17 0.62 0.00 0.00 0.00 0.00 176.54 177.05 1c6s h ALA 7 N 0.04 1.98 -0.90 3.60 0.00 -1.45 0.50 119.26 123.02 1c6s h ALA 7 Ca 0.08 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1c6s h ALA 7 Cb 0.62 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1c6s h ALA 7 CO -0.53 -0.34 0.59 -0.22 0.00 0.00 0.00 179.25 178.75 1c6s h LYS 8 N 0.56 1.15 0.00 0.00 3.11 0.01 0.93 116.57 122.33 1c6s h LYS 8 Ca 0.56 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 58.33 1c6s h LYS 8 Cb 1.16 -0.26 0.00 0.00 -1.00 0.00 0.00 32.23 32.13 1c6s h LYS 8 CO -0.31 0.76 -0.01 0.28 -2.81 0.00 0.00 179.45 177.36 1c6s h VAL 9 N 1.18 0.00 -1.22 2.00 2.07 0.11 -2.99 116.25 117.39 1c6s h VAL 9 Ca 0.34 -0.22 0.35 0.00 0.82 0.00 0.00 66.70 68.00 1c6s h VAL 9 Cb -0.08 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.65 1c6s h VAL 9 CO -0.09 0.00 1.19 0.15 0.02 0.00 0.00 177.57 178.84 1c6s h PHE 10 N -0.22 0.00 0.01 1.57 3.04 -0.45 0.30 116.94 121.18 1c6s h PHE 10 Ca 0.00 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 1c6s h PHE 10 Cb 0.01 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.53 1c6s h PHE 10 CO -0.01 0.00 -0.17 0.77 -2.02 0.00 0.00 178.31 176.89 1c6s h SER 11 N 0.00 0.13 -0.92 0.41 0.02 -0.88 0.88 113.55 113.20 1c6s h SER 11 Ca 0.58 -0.83 -0.47 0.00 -0.84 0.00 0.00 61.79 60.23 1c6s h SER 11 Cb 2.96 -0.04 -0.28 0.00 0.14 0.00 0.00 62.40 65.18 1c6s h SER 11 CO -0.01 0.94 0.56 0.61 -1.14 0.00 0.00 176.83 177.80 1c6s n GLY 12 N 1.17 4.53 0.00 -3.77 0.00 0.95 -3.89 105.19 104.18 1c6s n GLY 12 Ca -0.10 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1c6s n GLY 12 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1c6s n ASN 13 N -1.12 0.00 0.00 1.61 3.02 -0.57 -4.95 115.26 113.25 1c6s n ASN 13 Ca 0.56 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.11 1c6s n ASN 13 Cb 1.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.77 1c6s n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1c6s h ALA 15 N 0.00 2.56 -0.29 0.00 0.00 0.67 0.19 119.26 122.39 1c6s h ALA 15 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1c6s h ALA 15 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1c6s h ALA 15 CO 0.00 -0.82 -0.33 0.00 0.00 0.00 0.00 179.25 178.10 1c6s h ALA 16 N 1.59 0.88 -0.58 0.00 0.00 -1.84 0.73 119.26 120.05 1c6s h ALA 16 Ca 0.43 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1c6s h ALA 16 Cb 1.44 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1c6s h ALA 16 CO -0.08 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.80 1c6s n HIS 18 N 0.70 -3.55 -2.95 0.00 8.25 -0.16 -3.82 115.22 113.69 1c6s n HIS 18 Ca 0.27 0.83 0.00 0.00 -0.26 0.00 0.00 57.72 58.56 1c6s n HIS 18 Cb 1.12 2.28 0.00 0.00 1.12 0.00 0.00 29.99 34.51 1c6s n HIS 18 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1c6s n MET 19 N -3.01 -0.65 -2.38 -0.41 0.00 0.25 -0.37 117.12 110.55 1c6s n MET 19 Ca 0.00 0.90 -0.07 0.00 0.00 0.00 0.00 57.70 58.53 1c6s n MET 19 Cb 0.00 -0.84 0.03 0.00 0.00 0.00 0.00 33.22 32.41 1c6s n MET 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1c6s n GLY 20 N 1.75 0.01 3.83 3.17 0.00 -1.26 -3.85 105.19 108.84 1c6s n GLY 20 Ca 0.00 0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1c6s n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c6s n GLY 21 N -1.29 -0.89 2.58 -0.02 0.00 -1.25 -4.92 105.19 99.39 1c6s n GLY 21 Ca -0.06 0.39 -0.26 0.00 0.00 0.00 0.00 46.02 46.09 1c6s n GLY 21 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1c6s s GLY 22 N -3.32 0.37 0.29 -0.02 0.00 0.50 -4.27 107.32 100.88 1c6s s GLY 22 Ca 0.22 -0.98 -0.29 0.00 0.00 0.00 0.00 44.72 43.66 1c6s s GLY 22 CO 0.79 2.21 1.31 0.21 0.00 0.00 0.00 173.10 177.62 1c6s s ASN 23 N 2.06 6.82 0.00 1.64 3.84 -1.26 -2.94 114.94 125.11 1c6s s ASN 23 Ca 0.10 2.59 0.10 0.00 0.21 0.00 0.00 52.86 55.86 1c6s s ASN 23 Cb -0.16 -2.63 0.01 0.00 -0.55 0.00 0.00 41.25 37.92 1c6s s ASN 23 CO -0.33 -0.53 0.66 0.55 -2.79 0.00 0.00 177.10 174.67 1c6s n VAL 24 N 1.47 0.00 -0.11 -5.21 3.14 -1.25 -4.65 118.33 111.71 1c6s n VAL 24 Ca 0.02 -0.41 -0.22 0.00 -2.96 0.00 0.00 64.34 60.77 1c6s n VAL 24 Cb 0.42 1.13 -0.09 0.00 -1.06 0.00 0.00 33.84 34.25 1c6s n VAL 24 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1c6s n VAL 25 N -0.11 1.25 -3.97 1.55 0.31 -1.26 -5.00 118.33 111.09 1c6s n VAL 25 Ca 0.04 -0.36 -0.24 0.00 -0.01 0.00 0.00 64.34 63.77 1c6s n VAL 25 Cb 0.22 -1.64 -0.03 0.00 -0.91 0.00 0.00 33.84 31.48 1c6s n VAL 25 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1c6s s MET 26 N -2.42 3.40 -0.82 5.55 -1.94 -1.26 -5.03 119.30 116.77 1c6s s MET 26 Ca -0.31 -0.70 0.02 0.00 -1.71 0.00 0.00 55.69 52.99 1c6s s MET 26 Cb 0.11 -2.90 0.32 0.00 2.01 0.00 0.00 34.83 34.37 1c6s s MET 26 CO 0.43 0.47 1.37 0.00 -0.01 0.00 0.00 175.02 177.28 1c6s n ALA 27 N -0.97 5.31 0.00 3.03 0.00 -1.26 -4.63 120.51 121.98 1c6s n ALA 27 Ca -0.08 -4.68 0.00 0.00 0.00 0.00 0.00 53.44 48.68 1c6s n ALA 27 Cb 0.56 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1c6s n ALA 27 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1c6s n ASN 28 N 0.00 0.00 -4.56 0.00 6.94 -1.26 -5.06 115.26 111.32 1c6s n ASN 28 Ca 0.38 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 54.56 1c6s n ASN 28 Cb 0.33 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.71 1c6s n ASN 28 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1c6s s LYS 29 N 0.00 3.28 0.26 -3.83 1.02 -1.26 -4.83 119.74 114.39 1c6s s LYS 29 Ca 0.00 -0.81 0.07 0.00 0.02 0.00 0.00 55.97 55.25 1c6s s LYS 29 Cb 0.00 -5.17 -0.05 0.00 -0.52 0.00 0.00 37.83 32.08 1c6s s LYS 29 CO 0.00 -2.50 -0.07 0.99 -0.92 0.00 0.00 175.35 172.85 1c6s s THR 30 N 6.38 1.63 -1.27 2.17 2.01 -1.26 -4.63 115.64 120.67 1c6s s THR 30 Ca 0.52 -2.14 -0.12 0.00 0.31 0.00 0.00 61.69 60.26 1c6s s THR 30 Cb -0.03 -2.37 0.16 0.00 0.01 0.00 0.00 72.50 70.27 1c6s s THR 30 CO -0.05 -0.36 1.72 0.18 -0.69 0.00 0.00 174.62 175.43 1c6s n LEU 31 N -0.53 6.02 0.00 4.42 4.77 -1.26 -4.17 117.00 126.25 1c6s n LEU 31 Ca -0.06 -4.50 0.00 0.00 -0.03 0.00 0.00 56.01 51.42 1c6s n LEU 31 Cb 0.63 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 1c6s n LEU 31 CO 0.38 1.04 0.00 0.29 -1.33 0.00 0.00 177.39 177.78 1c6s n LYS 32 N 4.95 0.00 0.00 3.23 4.01 -1.26 -3.97 118.16 125.12 1c6s n LYS 32 Ca 0.40 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.20 1c6s n LYS 32 Cb 0.39 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.91 1c6s n LYS 32 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1c6s n LYS 33 N -0.60 0.00 0.07 1.97 3.00 -1.26 -3.97 118.16 117.37 1c6s n LYS 33 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 1c6s n LYS 33 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 34.89 1c6s n LYS 33 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1c6s h GLU 34 N 0.00 0.18 0.32 1.64 4.11 -1.95 -3.12 114.58 115.76 1c6s h GLU 34 Ca 0.00 -0.31 -0.02 0.00 0.07 0.00 0.00 59.36 59.10 1c6s h GLU 34 Cb 0.00 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1c6s h GLU 34 CO 0.00 1.07 -0.15 0.00 0.07 0.00 0.00 179.01 180.00 1c6s h ALA 35 N 0.67 -0.43 -0.78 1.06 0.00 -1.90 0.43 119.26 118.30 1c6s h ALA 35 Ca -0.16 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.74 1c6s h ALA 35 Cb 1.95 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.86 1c6s h ALA 35 CO 0.16 -0.47 0.53 1.37 0.00 0.00 0.00 179.25 180.84 1c6s h LEU 36 N -0.97 0.32 0.00 0.00 -0.00 -1.73 0.54 115.31 113.47 1c6s h LEU 36 Ca -0.04 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1c6s h LEU 36 Cb 0.50 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 1c6s h LEU 36 CO 0.07 0.15 -0.64 -0.33 -0.00 0.00 0.00 178.44 177.69 1c6s h GLU 37 N 0.33 0.00 0.02 0.17 4.39 -1.49 0.41 114.58 118.40 1c6s h GLU 37 Ca 0.39 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.09 1c6s h GLU 37 Cb 1.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1c6s h GLU 37 CO -0.11 0.00 -0.01 0.37 -1.16 0.00 0.00 179.01 178.10 1c6s h GLN 38 N 0.00 -0.02 0.00 2.33 5.75 0.47 -3.39 115.11 120.25 1c6s h GLN 38 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1c6s h GLN 38 Cb 0.89 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.45 1c6s h GLN 38 CO 0.00 0.39 0.00 1.19 -2.65 0.00 0.00 178.83 177.76 1c6s n PHE 39 N -4.90 0.00 0.00 3.99 3.72 -0.60 -5.05 117.46 114.61 1c6s n PHE 39 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1c6s n PHE 39 Cb 0.22 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 1c6s n PHE 39 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1c6s n GLY 40 N 2.38 -1.18 0.64 1.37 0.00 -0.77 -5.07 105.19 102.56 1c6s n GLY 40 Ca 0.00 0.75 -0.03 0.00 0.00 0.00 0.00 46.02 46.75 1c6s n GLY 40 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1c6s n MET 41 N 0.00 0.00 -0.38 1.61 0.00 0.06 -4.94 117.12 113.48 1c6s n MET 41 Ca 0.00 -0.40 0.09 0.00 0.00 0.00 0.00 57.70 57.38 1c6s n MET 41 Cb 0.00 0.31 0.27 0.00 0.00 0.00 0.00 33.22 33.80 1c6s n MET 41 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 1c6s n TYR 42 N 0.00 0.94 -4.26 3.17 9.36 -1.24 -4.40 117.16 120.73 1c6s n TYR 42 Ca -0.11 -0.56 -0.35 0.00 3.32 0.00 0.00 57.90 60.20 1c6s n TYR 42 Cb 0.46 -0.10 -0.09 0.00 -0.63 0.00 0.00 39.34 38.99 1c6s n TYR 42 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1c6s s SER 43 N -1.05 5.49 0.09 2.98 0.01 -1.26 -4.80 113.70 115.15 1c6s s SER 43 Ca 0.41 0.21 -0.23 0.00 1.31 0.00 0.00 55.95 57.64 1c6s s SER 43 Cb 0.24 -1.60 -0.07 0.00 0.21 0.00 0.00 66.02 64.80 1c6s s SER 43 CO 0.23 0.38 1.38 -0.33 0.41 0.00 0.00 173.24 175.31 1c6s h GLU 44 N 5.04 -0.22 -1.09 12.44 5.08 -1.92 0.41 114.58 134.32 1c6s h GLU 44 Ca -0.52 0.02 0.30 0.00 -1.00 0.00 0.00 59.36 58.16 1c6s h GLU 44 Cb 1.20 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 1c6s h GLU 44 CO 0.55 -0.15 0.74 0.22 -1.00 0.00 0.00 179.01 179.38 1c6s h ASP 45 N -0.23 0.24 0.00 1.42 1.82 -1.96 0.63 116.42 118.34 1c6s h ASP 45 Ca 0.06 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 1c6s h ASP 45 Cb 0.39 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.41 1c6s h ASP 45 CO -0.45 0.04 0.00 0.00 -1.61 0.00 0.00 179.24 177.22 1c6s n ALA 46 N -2.60 -0.14 0.36 -0.78 0.00 0.14 -2.10 120.51 115.39 1c6s n ALA 46 Ca 0.25 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.73 1c6s n ALA 46 Cb 1.04 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.69 1c6s n ALA 46 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1c6s n ILE 47 N -1.08 0.98 0.04 0.00 3.06 -0.84 -1.06 119.36 120.46 1c6s n ILE 47 Ca 0.00 0.24 -0.19 0.00 -2.50 0.00 0.00 62.75 60.30 1c6s n ILE 47 Cb 0.00 -1.11 -0.12 0.00 0.54 0.00 0.00 39.64 38.95 1c6s n ILE 47 CO 0.00 0.00 0.00 0.40 -2.50 0.00 0.00 176.55 174.45 1c6s h ILE 48 N 0.00 1.40 -0.01 9.51 2.04 0.31 0.01 117.51 130.77 1c6s h ILE 48 Ca 0.00 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.58 1c6s h ILE 48 Cb 0.09 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.92 1c6s h ILE 48 CO 0.00 0.67 -0.17 0.00 0.00 0.00 0.00 178.15 178.65 1c6s n TYR 49 N -4.07 0.00 0.59 1.37 9.36 -0.62 -2.66 117.16 121.12 1c6s n TYR 49 Ca -0.12 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.20 1c6s n TYR 49 Cb 0.80 -0.11 -0.13 0.00 -0.63 0.00 0.00 39.34 39.27 1c6s n TYR 49 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1c6s n GLN 50 N -0.55 0.43 -0.09 2.98 0.00 -0.22 -4.04 117.38 115.89 1c6s n GLN 50 Ca 0.14 -0.07 -0.23 0.00 -0.00 0.00 0.00 57.00 56.84 1c6s n GLN 50 Cb 0.33 -1.47 -0.12 0.00 0.00 0.00 0.00 30.24 28.98 1c6s n GLN 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1c6s n VAL 51 N -1.76 1.59 0.10 1.69 0.31 -0.02 -0.19 118.33 120.04 1c6s n VAL 51 Ca 0.01 -0.25 0.06 0.00 -0.01 0.00 0.00 64.34 64.15 1c6s n VAL 51 Cb 0.40 -1.92 0.32 0.00 -0.91 0.00 0.00 33.84 31.74 1c6s n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1c6s n GLN 52 N -4.14 0.08 -0.61 5.55 6.02 -1.09 0.11 117.38 123.29 1c6s n GLN 52 Ca -0.36 0.56 -0.00 0.00 -0.01 0.00 0.00 57.00 57.18 1c6s n GLN 52 Cb 0.81 -1.80 -0.01 0.00 1.02 0.00 0.00 30.24 30.27 1c6s n GLN 52 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1c6s n HIS 53 N -1.91 0.00 -0.65 1.08 8.25 -1.26 -2.36 115.22 118.38 1c6s n HIS 53 Ca -0.01 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1c6s n HIS 53 Cb 0.06 0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1c6s n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1c6s n GLY 54 N 0.03 3.08 0.00 -1.41 0.00 0.73 -4.00 105.19 103.63 1c6s n GLY 54 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1c6s n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1c6s n LYS 55 N 14.00 0.00 0.00 1.61 4.01 -1.10 -4.07 118.16 132.61 1c6s n LYS 55 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1c6s n LYS 55 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1c6s n LYS 55 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1c6s n ASN 56 N 0.00 0.00 -2.53 4.39 3.02 -1.26 -2.12 115.26 116.75 1c6s n ASN 56 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 1c6s n ASN 56 Cb 0.00 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.20 1c6s n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1c6s n ALA 57 N 3.56 3.84 -2.60 5.41 0.00 -1.26 -5.06 120.51 124.40 1c6s n ALA 57 Ca 0.00 -3.39 -0.21 0.00 0.00 0.00 0.00 53.44 49.83 1c6s n ALA 57 Cb 0.00 -0.70 -0.14 0.00 0.00 0.00 0.00 19.45 18.61 1c6s n ALA 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1c6s s MET 58 N -3.53 1.05 -0.19 0.00 0.00 -0.90 -5.03 119.30 110.70 1c6s s MET 58 Ca 0.37 -0.72 -0.29 0.00 0.00 0.00 0.00 55.69 55.04 1c6s s MET 58 Cb 0.39 -1.06 -0.02 0.00 0.00 0.00 0.00 34.83 34.13 1c6s s MET 58 CO -0.03 0.27 1.47 -1.25 0.00 0.00 0.00 175.02 175.49 1c6s s PRO 59 N -0.94 4.01 1.01 4.11 0.04 -1.26 -2.71 135.00 139.26 1c6s s PRO 59 Ca 0.03 1.69 -0.22 0.00 0.04 0.00 0.00 61.00 62.54 1c6s s PRO 59 Cb -0.07 -3.93 -0.13 0.00 0.04 0.00 0.00 34.50 30.41 1c6s s PRO 59 CO 0.01 -1.02 -0.97 0.00 0.04 0.00 0.00 177.00 175.06 1c6s n ALA 60 N 7.56 -5.27 -0.97 8.56 0.00 -1.26 -3.75 120.51 125.38 1c6s n ALA 60 Ca 0.16 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1c6s n ALA 60 Cb 0.45 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1c6s n ALA 60 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1c6s n PHE 61 N -3.30 0.00 0.33 0.00 3.72 0.29 -4.62 117.46 113.88 1c6s n PHE 61 Ca -0.01 -0.01 0.14 0.00 -0.05 0.00 0.00 57.45 57.52 1c6s n PHE 61 Cb 0.66 -0.00 0.74 0.00 -0.94 0.00 0.00 39.48 39.94 1c6s n PHE 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1c6s h ALA 62 N 0.00 1.37 0.00 4.37 0.00 -1.66 -2.61 119.26 120.73 1c6s h ALA 62 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1c6s h ALA 62 Cb 0.92 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.54 1c6s h ALA 62 CO 0.00 -0.37 -0.48 0.41 0.00 0.00 0.00 179.25 178.81 1c6s n GLY 63 N -1.24 0.74 0.21 0.00 0.00 -1.26 -4.89 105.19 98.74 1c6s n GLY 63 Ca -0.02 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 1c6s n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c6s n ARG 64 N 0.15 0.54 0.00 1.61 5.12 -0.99 -4.96 116.66 118.13 1c6s n ARG 64 Ca -0.09 0.22 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 1c6s n ARG 64 Cb 0.79 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.70 1c6s n ARG 64 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1c6s n LEU 65 N -3.99 0.00 0.00 0.55 4.77 -1.23 -5.06 117.00 112.03 1c6s n LEU 65 Ca -0.48 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1c6s n LEU 65 Cb 0.86 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 1c6s n LEU 65 CO 0.06 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.53 1c6s n THR 66 N 0.00 0.00 0.03 -5.08 -1.04 -1.26 -5.02 114.28 101.90 1c6s n THR 66 Ca 0.00 0.25 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1c6s n THR 66 Cb 0.00 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.29 1c6s n THR 66 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1c6s n ASP 67 N -1.96 -0.45 0.00 8.00 -0.08 -1.26 -4.88 116.55 115.91 1c6s n ASP 67 Ca 0.00 0.51 0.04 0.00 -1.51 0.00 0.00 54.79 53.83 1c6s n ASP 67 Cb 0.00 0.84 0.22 0.00 2.34 0.00 0.00 41.12 44.51 1c6s n ASP 67 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1c6s n GLU 68 N -2.99 0.46 -0.05 -0.67 2.13 -1.26 -2.07 120.64 116.19 1c6s n GLU 68 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 1c6s n GLU 68 Cb 0.00 -1.24 -0.06 0.00 0.27 0.00 0.00 31.44 30.40 1c6s n GLU 68 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1c6s n GLN 69 N -0.74 1.66 0.27 5.31 1.13 -1.26 -0.78 117.38 122.96 1c6s n GLN 69 Ca 0.05 0.02 0.18 0.00 -1.94 0.00 0.00 57.00 55.32 1c6s n GLN 69 Cb 0.02 -1.23 0.97 0.00 0.11 0.00 0.00 30.24 30.12 1c6s n GLN 69 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1c6s h ILE 70 N 0.00 0.00 0.00 5.09 2.04 -1.75 0.92 117.51 123.81 1c6s h ILE 70 Ca -0.25 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1c6s h ILE 70 Cb 1.49 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1c6s h ILE 70 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.14 1c6s n GLN 71 N -2.76 0.00 -0.29 2.37 1.13 -1.15 -3.55 117.38 113.13 1c6s n GLN 71 Ca -0.02 0.05 0.10 0.00 -1.94 0.00 0.00 57.00 55.19 1c6s n GLN 71 Cb 0.06 -0.40 0.23 0.00 0.11 0.00 0.00 30.24 30.25 1c6s n GLN 71 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 1c6s h ASP 72 N 0.00 -0.26 -0.62 1.08 5.19 -0.88 0.60 116.42 121.53 1c6s h ASP 72 Ca 0.00 0.22 -0.04 0.00 -0.62 0.00 0.00 57.03 56.59 1c6s h ASP 72 Cb 0.00 0.35 -0.03 0.00 0.18 0.00 0.00 39.33 39.84 1c6s h ASP 72 CO 0.00 -0.21 0.24 0.58 -3.12 0.00 0.00 179.24 176.73 1c6s h VAL 73 N 0.12 1.23 0.39 -1.35 2.07 0.69 1.79 116.25 121.19 1c6s h VAL 73 Ca 0.50 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1c6s h VAL 73 Cb 0.97 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1c6s h VAL 73 CO -0.72 0.29 -0.31 0.00 0.02 0.00 0.00 177.57 176.84 1c6s h ALA 74 N 1.09 -1.06 0.00 1.67 0.00 0.16 0.33 119.26 121.46 1c6s h ALA 74 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1c6s h ALA 74 Cb 0.21 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1c6s h ALA 74 CO -0.02 -1.06 0.07 0.00 0.00 0.00 0.00 179.25 178.25 1c6s h ALA 75 N -1.32 1.07 -0.66 0.00 0.00 -0.94 0.33 119.26 117.74 1c6s h ALA 75 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1c6s h ALA 75 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1c6s h ALA 75 CO 0.00 -0.07 0.08 -0.92 0.00 0.00 0.00 179.25 178.34 1c6s h TYR 76 N 0.00 1.19 0.00 0.00 3.20 0.65 0.73 116.97 122.74 1c6s h TYR 76 Ca 0.00 -0.18 -0.07 0.00 3.14 0.00 0.00 58.73 61.63 1c6s h TYR 76 Cb 0.14 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1c6s h TYR 76 CO 0.00 1.00 -0.32 0.28 -1.64 0.00 0.00 178.16 177.48 1c6s h VAL 77 N 1.03 0.65 -0.00 1.81 2.07 0.99 -0.31 116.25 122.49 1c6s h VAL 77 Ca 0.20 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.17 1c6s h VAL 77 Cb 0.48 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1c6s h VAL 77 CO 0.02 0.31 -0.36 0.18 0.02 0.00 0.00 177.57 177.74 1c6s n LEU 78 N -3.32 0.61 -0.10 2.57 4.77 -0.58 -2.28 117.00 118.67 1c6s n LEU 78 Ca 0.01 -0.04 -0.15 0.00 -0.03 0.00 0.00 56.01 55.80 1c6s n LEU 78 Cb 0.56 -0.23 -0.14 0.00 -2.33 0.00 0.00 43.42 41.28 1c6s n LEU 78 CO 0.36 0.13 -1.19 -0.67 -1.33 0.00 0.00 177.39 174.69 1c6s n ASP 79 N -1.21 1.31 0.11 -1.43 -0.08 0.24 -3.90 116.55 111.59 1c6s n ASP 79 Ca 0.08 -0.03 -0.19 0.00 -1.51 0.00 0.00 54.79 53.14 1c6s n ASP 79 Cb 0.33 0.01 -0.15 0.00 2.34 0.00 0.00 41.12 43.66 1c6s n ASP 79 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1c6s h GLN 80 N 0.01 0.34 -0.51 -0.67 1.08 -1.18 -2.99 115.11 111.19 1c6s h GLN 80 Ca -0.54 -0.59 -0.05 0.00 -1.45 0.00 0.00 58.65 56.02 1c6s h GLN 80 Cb 2.03 0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 29.66 1c6s h GLN 80 CO -0.03 1.27 0.13 0.00 -0.95 0.00 0.00 178.83 179.25 1c6s h ALA 81 N 0.44 0.68 -0.32 3.87 0.00 -1.58 0.21 119.26 122.55 1c6s h ALA 81 Ca -0.19 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1c6s h ALA 81 Cb 2.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1c6s h ALA 81 CO 0.22 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1c6s n ALA 82 N -2.39 2.64 -1.73 0.00 0.00 -1.25 -3.96 120.51 113.83 1c6s n ALA 82 Ca 0.02 -0.68 0.01 0.00 0.00 0.00 0.00 53.44 52.79 1c6s n ALA 82 Cb 0.22 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.69 1c6s n ALA 82 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1c6s n LYS 83 N 0.44 0.15 -1.01 0.00 2.85 -0.95 -5.04 118.16 114.61 1c6s n LYS 83 Ca 0.12 -1.05 0.00 0.00 -1.05 0.00 0.00 58.31 56.33 1c6s n LYS 83 Cb 0.40 -0.59 0.00 0.00 -0.65 0.00 0.00 35.03 34.19 1c6s n LYS 83 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1c6s n GLY 84 N -0.12 -0.06 2.85 2.58 0.00 -0.90 -4.77 105.19 104.77 1c6s n GLY 84 Ca 0.01 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.54 1c6s n GLY 84 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1c6s n TRP 85 N -0.54 0.00 -0.00 1.61 7.02 0.67 -4.70 117.44 121.50 1c6s n TRP 85 Ca 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.36 1c6s n TRP 85 Cb 0.20 -0.42 -0.09 0.00 -2.42 0.00 0.00 31.31 28.59 1c6s n TRP 85 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1c6s h ALA 86 N 8.91 -0.09 0.00 6.99 0.00 -1.86 -3.46 119.26 129.75 1c6s h ALA 86 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1c6s h ALA 86 Cb 0.92 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1c6s h ALA 86 CO 1.28 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 180.75