#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c6s s ASP 2 N 0.00 3.19 0.00 0.00 1.01 -1.26 -4.99 116.67 114.61 1c6s s ASP 2 Ca 0.00 -0.96 0.20 0.00 0.71 0.00 0.00 52.55 52.50 1c6s s ASP 2 Cb 0.00 -0.23 1.06 0.00 1.01 0.00 0.00 42.92 44.76 1c6s s ASP 2 CO 0.00 0.00 1.60 0.18 0.21 0.00 0.00 175.17 177.16 1c6s n LEU 3 N -0.20 0.00 0.11 1.23 4.77 -1.26 -2.00 117.00 119.65 1c6s n LEU 3 Ca -0.09 0.18 0.02 0.00 -0.03 0.00 0.00 56.01 56.10 1c6s n LEU 3 Cb 0.59 -0.18 0.39 0.00 -2.33 0.00 0.00 43.42 41.88 1c6s n LEU 3 CO 0.34 -0.07 0.90 0.00 -1.33 0.00 0.00 177.39 177.23 1c6s h ALA 4 N 3.04 1.51 0.00 -1.18 0.00 -1.94 0.23 119.26 120.92 1c6s h ALA 4 Ca 0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1c6s h ALA 4 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1c6s h ALA 4 CO 0.00 0.35 -0.38 -0.97 0.00 0.00 0.00 179.25 178.25 1c6s h ASN 5 N 0.24 0.00 0.19 0.00 -0.00 -1.79 -3.06 115.58 111.17 1c6s h ASN 5 Ca 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.34 1c6s h ASN 5 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.69 1c6s h ASN 5 CO 0.02 0.38 -0.09 1.23 -0.00 0.00 0.00 177.43 178.97 1c6s h GLY 6 N 1.84 -0.27 1.02 1.57 0.00 -0.66 -0.41 103.07 106.16 1c6s h GLY 6 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1c6s h GLY 6 CO 0.05 -0.10 0.49 0.00 0.00 0.00 0.00 176.54 176.98 1c6s h ALA 7 N 0.54 1.48 0.15 3.60 0.00 -1.39 1.18 119.26 124.82 1c6s h ALA 7 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 1c6s h ALA 7 Cb 0.21 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1c6s h ALA 7 CO 0.04 -0.48 -1.18 -0.22 0.00 0.00 0.00 179.25 177.41 1c6s h LYS 8 N 0.00 0.31 0.00 0.00 3.11 -1.19 0.53 116.57 119.34 1c6s h LYS 8 Ca 0.00 -0.54 -0.02 0.00 -2.81 0.00 0.00 60.65 57.29 1c6s h LYS 8 Cb 0.97 0.20 -0.00 0.00 -1.00 0.00 0.00 32.23 32.40 1c6s h LYS 8 CO 0.00 1.26 -0.08 0.28 -2.81 0.00 0.00 179.45 178.09 1c6s h VAL 9 N -0.26 0.69 0.00 2.00 2.07 0.20 -2.50 116.25 118.45 1c6s h VAL 9 Ca -0.23 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 66.87 1c6s h VAL 9 Cb 1.78 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 1c6s h VAL 9 CO 0.13 0.08 -2.03 0.33 0.02 0.00 0.00 177.57 176.11 1c6s n PHE 10 N -3.91 0.00 0.16 1.57 -0.00 0.74 -2.34 117.46 113.68 1c6s n PHE 10 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.42 1c6s n PHE 10 Cb 0.18 -0.58 0.15 0.00 -0.00 0.00 0.00 39.48 39.22 1c6s n PHE 10 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1c6s n SER 11 N -2.33 3.10 0.00 -2.13 7.64 0.19 0.45 113.62 120.53 1c6s n SER 11 Ca -0.10 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.31 1c6s n SER 11 Cb 0.68 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1c6s n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c6s n GLY 12 N 0.15 0.00 0.00 0.23 0.00 -1.13 -4.88 105.19 99.57 1c6s n GLY 12 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.11 0.25 0.00 1.61 3.02 -0.99 -4.77 115.26 114.27 1c6s n ASN 13 Ca 0.00 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 1c6s n ASN 13 Cb 0.00 0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 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 1.56 0.00 0.00 0.00 -0.29 -0.96 119.26 119.57 1c6s h ALA 15 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1c6s h ALA 15 Cb 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1c6s h ALA 15 CO 0.00 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.59 1c6s n ALA 16 N -2.42 1.19 -1.91 0.00 0.00 -1.26 -2.08 120.51 114.02 1c6s n ALA 16 Ca 0.11 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1c6s n ALA 16 Cb 0.16 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1c6s n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c6s n HIS 18 N 0.00 -3.08 -2.43 0.00 8.25 -0.46 -3.14 115.22 114.36 1c6s n HIS 18 Ca 0.00 0.53 0.00 0.00 -0.26 0.00 0.00 57.72 57.99 1c6s n HIS 18 Cb 0.68 1.63 0.00 0.00 1.12 0.00 0.00 29.99 33.42 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 -2.83 -0.90 -2.46 -0.41 0.00 -0.89 -1.84 117.12 107.80 1c6s n MET 19 Ca 0.00 0.92 -0.06 0.00 0.00 0.00 0.00 57.70 58.55 1c6s n MET 19 Cb 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 33.22 32.60 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 2.06 0.13 3.03 3.17 0.00 -1.26 -4.21 105.19 108.10 1c6s n GLY 20 Ca 0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.14 0.11 3.16 -0.02 0.00 -1.25 -4.89 105.19 101.16 1c6s n GLY 21 Ca -0.09 0.66 0.02 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.11 -1.27 0.88 -0.02 0.00 -0.77 -4.09 107.32 100.94 1c6s s GLY 22 Ca 0.22 0.65 -0.17 0.00 0.00 0.00 0.00 44.72 45.42 1c6s s GLY 22 CO 0.50 3.74 -0.57 -2.01 0.00 0.00 0.00 173.10 174.75 1c6s n ASN 23 N 4.73 -5.24 0.00 1.64 2.85 -1.26 -3.78 115.26 114.20 1c6s n ASN 23 Ca 0.09 0.31 0.00 0.00 -0.11 0.00 0.00 54.58 54.86 1c6s n ASN 23 Cb 0.56 -0.81 0.00 0.00 1.24 0.00 0.00 39.78 40.78 1c6s n ASN 23 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1c6s n VAL 24 N -2.30 0.00 -0.00 3.44 3.14 -1.19 -4.80 118.33 116.61 1c6s n VAL 24 Ca 0.01 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.38 1c6s n VAL 24 Cb 0.54 0.44 -0.00 0.00 -1.06 0.00 0.00 33.84 33.75 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 -1.45 0.19 -0.52 1.55 0.31 -1.26 -5.03 118.33 112.11 1c6s n VAL 25 Ca 0.00 0.26 -0.29 0.00 -0.01 0.00 0.00 64.34 64.30 1c6s n VAL 25 Cb 0.01 -1.36 0.24 0.00 -0.91 0.00 0.00 33.84 31.83 1c6s n VAL 25 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1c6s n MET 26 N -2.71 -2.24 -2.95 5.55 2.81 -1.26 -4.97 117.12 111.35 1c6s n MET 26 Ca -0.01 -0.63 -0.22 0.00 -1.81 0.00 0.00 57.70 55.04 1c6s n MET 26 Cb 0.04 -2.07 -0.02 0.00 -0.71 0.00 0.00 33.22 30.45 1c6s n MET 26 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1c6s n ALA 27 N -4.85 3.62 0.00 3.04 0.00 -1.26 -4.81 120.51 116.25 1c6s n ALA 27 Ca 0.03 -4.02 0.00 0.00 0.00 0.00 0.00 53.44 49.44 1c6s n ALA 27 Cb 0.56 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.06 0.00 -4.56 0.00 0.23 -1.26 -5.07 115.26 104.54 1c6s n ASN 28 Ca 0.27 0.00 -0.40 0.00 -0.53 0.00 0.00 54.58 53.92 1c6s n ASN 28 Cb 0.56 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.24 1c6s n ASN 28 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1c6s s LYS 29 N 0.00 3.06 0.45 -3.83 1.02 -1.26 -4.86 119.74 114.32 1c6s s LYS 29 Ca 0.00 0.22 0.05 0.00 0.02 0.00 0.00 55.97 56.26 1c6s s LYS 29 Cb 0.00 -4.22 -0.05 0.00 -0.52 0.00 0.00 37.83 33.04 1c6s s LYS 29 CO 0.00 -2.25 0.04 0.99 -0.92 0.00 0.00 175.35 173.21 1c6s s THR 30 N 6.79 1.76 -0.25 2.17 2.01 -1.26 -4.42 115.64 122.43 1c6s s THR 30 Ca 0.50 -1.94 0.23 0.00 0.31 0.00 0.00 61.69 60.78 1c6s s THR 30 Cb -0.10 -2.70 -0.06 0.00 0.01 0.00 0.00 72.50 69.64 1c6s s THR 30 CO 0.20 0.00 0.96 0.18 -0.69 0.00 0.00 174.62 175.27 1c6s n LEU 31 N -1.13 0.69 -4.22 4.42 4.32 -1.26 -2.92 117.00 116.89 1c6s n LEU 31 Ca -0.09 0.24 -0.30 0.00 -0.02 0.00 0.00 56.01 55.84 1c6s n LEU 31 Cb 0.67 -0.06 0.29 0.00 -1.62 0.00 0.00 43.42 42.70 1c6s n LEU 31 CO 0.45 -0.13 0.35 2.29 -1.22 0.00 0.00 177.39 179.12 1c6s n LYS 32 N -2.53 -4.83 0.11 3.23 2.85 -1.26 -4.55 118.16 111.19 1c6s n LYS 32 Ca -0.00 -1.43 -0.22 0.00 -1.05 0.00 0.00 58.31 55.60 1c6s n LYS 32 Cb 0.54 -1.92 -0.15 0.00 -0.65 0.00 0.00 35.03 32.84 1c6s n LYS 32 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 1c6s h LYS 33 N -3.63 0.43 -0.63 -1.58 2.10 -1.91 -0.11 116.57 111.24 1c6s h LYS 33 Ca -0.40 -0.73 0.11 0.00 -2.00 0.00 0.00 60.65 57.62 1c6s h LYS 33 Cb 1.33 0.27 -0.04 0.00 -0.90 0.00 0.00 32.23 32.90 1c6s h LYS 33 CO 0.25 1.34 0.42 0.93 -2.00 0.00 0.00 179.45 180.39 1c6s h GLU 34 N 0.12 0.38 0.00 0.07 5.08 -1.91 0.11 114.58 118.43 1c6s h GLU 34 Ca -0.25 -0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 57.81 1c6s h GLU 34 Cb 2.10 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 31.22 1c6s h GLU 34 CO 0.23 0.25 -2.00 0.00 -1.00 0.00 0.00 179.01 176.49 1c6s n ALA 35 N -2.52 1.66 0.31 3.43 0.00 -1.24 -3.08 120.51 119.05 1c6s n ALA 35 Ca 0.11 -0.74 0.12 0.00 0.00 0.00 0.00 53.44 52.92 1c6s n ALA 35 Cb 0.41 0.13 0.55 0.00 0.00 0.00 0.00 19.45 20.54 1c6s n ALA 35 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1c6s h LEU 36 N -0.13 0.00 -1.33 0.00 8.10 -0.88 -0.90 115.31 120.16 1c6s h LEU 36 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.58 1c6s h LEU 36 Cb 1.57 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.79 1c6s h LEU 36 CO -0.11 0.00 0.00 -0.62 -4.11 0.00 0.00 178.44 173.60 1c6s n GLU 37 N -2.31 0.07 -0.01 0.17 1.02 0.02 -0.08 120.64 119.53 1c6s n GLU 37 Ca 0.01 -0.95 -0.12 0.00 -0.02 0.00 0.00 57.16 56.08 1c6s n GLU 37 Cb 0.16 -1.13 -0.10 0.00 -0.02 0.00 0.00 31.44 30.35 1c6s n GLU 37 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1c6s h GLN 38 N 1.34 -0.07 0.11 3.49 5.75 -1.09 -3.36 115.11 121.28 1c6s h GLN 38 Ca 0.00 0.00 -0.30 0.00 -0.15 0.00 0.00 58.65 58.20 1c6s h GLN 38 Cb 0.30 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 1c6s h GLN 38 CO 0.00 0.54 -1.57 0.27 -2.65 0.00 0.00 178.83 175.42 1c6s h PHE 39 N -0.80 0.44 0.00 3.99 -5.15 -1.79 -3.49 116.94 110.14 1c6s h PHE 39 Ca -0.01 -0.32 0.00 0.00 -0.20 0.00 0.00 57.97 57.44 1c6s h PHE 39 Cb 0.64 -0.02 0.00 0.00 0.22 0.00 0.00 35.95 36.79 1c6s h PHE 39 CO 0.15 1.62 0.00 0.41 -2.00 0.00 0.00 178.31 178.48 1c6s n GLY 40 N 1.78 0.68 0.97 6.09 0.00 -1.24 -5.01 105.19 108.45 1c6s n GLY 40 Ca -0.27 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.80 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 2.44 0.00 1.61 0.00 0.89 -4.21 117.12 117.85 1c6s n MET 41 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 57.70 56.11 1c6s n MET 41 Cb 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 33.22 31.66 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 0.56 0.00 -4.01 3.17 9.36 -0.31 -4.39 117.16 121.54 1c6s n TYR 42 Ca 0.14 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 61.01 1c6s n TYR 42 Cb 0.52 -0.04 -0.12 0.00 -0.63 0.00 0.00 39.34 39.08 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 -0.76 5.18 0.17 2.98 0.01 -1.26 -4.97 113.70 115.06 1c6s s SER 43 Ca 0.00 -0.10 -0.26 0.00 1.31 0.00 0.00 55.95 56.90 1c6s s SER 43 Cb 0.00 -1.90 0.04 0.00 0.21 0.00 0.00 66.02 64.37 1c6s s SER 43 CO 0.00 0.09 1.56 1.05 0.41 0.00 0.00 173.24 176.35 1c6s h GLU 44 N 7.34 -0.20 -0.96 12.44 4.11 -1.89 0.52 114.58 135.95 1c6s h GLU 44 Ca -0.36 0.01 0.25 0.00 0.07 0.00 0.00 59.36 59.33 1c6s h GLU 44 Cb 1.18 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.34 1c6s h GLU 44 CO 0.63 -0.13 0.51 0.22 0.07 0.00 0.00 179.01 180.31 1c6s h ASP 45 N -0.20 0.51 0.00 3.06 1.82 -1.95 0.99 116.42 120.64 1c6s h ASP 45 Ca 0.19 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.98 1c6s h ASP 45 Cb 0.56 0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.66 1c6s h ASP 45 CO -0.72 0.02 0.00 0.00 -1.61 0.00 0.00 179.24 176.93 1c6s n ALA 46 N -2.39 -0.37 0.49 -0.78 0.00 0.18 -0.79 120.51 116.86 1c6s n ALA 46 Ca 0.26 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.76 1c6s n ALA 46 Cb 0.75 0.05 0.28 0.00 0.00 0.00 0.00 19.45 20.53 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 -1.86 0.94 0.06 0.00 3.06 -1.01 -1.42 119.36 119.12 1c6s n ILE 47 Ca 0.00 0.23 -0.10 0.00 -2.50 0.00 0.00 62.75 60.38 1c6s n ILE 47 Cb 0.00 -1.03 -0.13 0.00 0.54 0.00 0.00 39.64 39.02 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 1.51 0.00 9.51 2.04 0.14 -0.34 117.51 130.37 1c6s h ILE 48 Ca 0.00 -3.19 0.00 0.00 1.00 0.00 0.00 64.86 62.67 1c6s h ILE 48 Cb 0.16 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1c6s h ILE 48 CO 0.00 0.89 -0.79 0.00 0.00 0.00 0.00 178.15 178.25 1c6s n TYR 49 N -3.38 0.25 0.60 1.37 4.19 0.03 -2.08 117.16 118.15 1c6s n TYR 49 Ca -0.06 0.07 0.11 0.00 3.31 0.00 0.00 57.90 61.34 1c6s n TYR 49 Cb 0.98 -0.41 0.04 0.00 0.49 0.00 0.00 39.34 40.44 1c6s n TYR 49 CO 0.00 0.00 0.00 0.94 0.91 0.00 0.00 176.86 178.71 1c6s n GLN 50 N -1.85 0.27 -0.11 2.98 -0.06 -0.51 -3.78 117.38 114.32 1c6s n GLN 50 Ca 0.03 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.90 1c6s n GLN 50 Cb 0.40 -1.59 -0.13 0.00 -4.06 0.00 0.00 30.24 24.86 1c6s n GLN 50 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1c6s n VAL 51 N -1.94 1.34 1.07 1.69 0.31 -0.15 -1.57 118.33 119.09 1c6s n VAL 51 Ca 0.02 -0.65 0.11 0.00 -0.01 0.00 0.00 64.34 63.81 1c6s n VAL 51 Cb 0.43 -0.96 0.56 0.00 -0.91 0.00 0.00 33.84 32.96 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 -2.97 0.37 -1.26 5.55 6.02 -0.88 -2.77 117.38 121.44 1c6s n GLN 52 Ca -0.37 0.07 -0.05 0.00 -0.01 0.00 0.00 57.00 56.64 1c6s n GLN 52 Cb 1.03 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.77 1c6s n GLN 52 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1c6s n HIS 53 N -1.24 -0.39 -1.02 1.08 1.44 -1.25 -2.44 115.22 111.40 1c6s n HIS 53 Ca 0.11 -0.62 0.00 0.00 -2.01 0.00 0.00 57.72 55.20 1c6s n HIS 53 Cb 0.16 0.66 0.00 0.00 0.12 0.00 0.00 29.99 30.93 1c6s n HIS 53 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1c6s n GLY 54 N -0.29 2.02 0.00 -1.39 0.00 -0.61 -4.10 105.19 100.83 1c6s n GLY 54 Ca -0.20 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 5.02 -1.12 -4.05 118.16 133.61 1c6s n LYS 55 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1c6s n LYS 55 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1c6s n LYS 55 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1c6s n ASN 56 N 0.00 0.00 -1.11 4.39 3.02 -1.26 -1.53 115.26 118.77 1c6s n ASN 56 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.54 1c6s n ASN 56 Cb 0.00 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.31 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 4.03 3.71 -2.56 5.41 0.00 -1.26 -5.04 120.51 124.81 1c6s n ALA 57 Ca 0.00 -3.25 -0.33 0.00 0.00 0.00 0.00 53.44 49.86 1c6s n ALA 57 Cb 0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 19.45 18.91 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 -2.89 2.58 -0.59 0.00 0.00 -0.58 -5.05 119.30 112.77 1c6s s MET 58 Ca 0.40 -0.67 -0.28 0.00 0.00 0.00 0.00 55.69 55.14 1c6s s MET 58 Cb 0.38 -2.49 0.01 0.00 0.00 0.00 0.00 34.83 32.73 1c6s s MET 58 CO -0.06 0.63 1.42 -1.25 0.00 0.00 0.00 175.02 175.76 1c6s s PRO 59 N -1.07 3.25 -0.11 4.11 0.04 -1.26 -2.80 135.00 137.16 1c6s s PRO 59 Ca 0.14 0.36 -0.36 0.00 0.04 0.00 0.00 61.00 61.18 1c6s s PRO 59 Cb -0.11 -4.15 -0.14 0.00 0.04 0.00 0.00 34.50 30.15 1c6s s PRO 59 CO 0.04 -2.01 1.76 0.00 0.04 0.00 0.00 177.00 176.83 1c6s n ALA 60 N 9.74 0.44 -0.09 8.56 0.00 -1.26 -3.94 120.51 133.95 1c6s n ALA 60 Ca 0.11 0.35 -0.14 0.00 0.00 0.00 0.00 53.44 53.77 1c6s n ALA 60 Cb 0.49 -2.36 -0.06 0.00 0.00 0.00 0.00 19.45 17.52 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 5.56 0.68 -2.51 0.00 3.72 -1.11 -4.78 117.46 119.03 1c6s n PHE 61 Ca 0.23 0.30 -0.15 0.00 -0.05 0.00 0.00 57.45 57.78 1c6s n PHE 61 Cb 0.23 -0.86 -0.03 0.00 -0.94 0.00 0.00 39.48 37.89 1c6s n PHE 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1c6s n ALA 62 N -3.79 -0.45 0.00 4.37 0.00 -1.02 -2.82 120.51 116.80 1c6s n ALA 62 Ca -0.22 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1c6s n ALA 62 Cb 0.52 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1c6s n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c6s n GLY 63 N -0.66 0.00 0.09 0.00 0.00 -1.26 -4.96 105.19 98.39 1c6s n GLY 63 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 1c6s n GLY 63 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1c6s n ARG 64 N 0.00 0.97 -3.27 1.61 0.63 -1.13 -4.81 116.66 110.67 1c6s n ARG 64 Ca 0.00 -0.02 -0.42 0.00 -0.92 0.00 0.00 57.85 56.49 1c6s n ARG 64 Cb 0.00 -1.47 -0.08 0.00 0.45 0.00 0.00 32.46 31.36 1c6s n ARG 64 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1c6s s LEU 65 N -5.29 4.43 0.71 6.15 1.02 -1.26 -5.05 118.68 119.39 1c6s s LEU 65 Ca -0.09 -0.16 -0.06 0.00 0.02 0.00 0.00 54.13 53.84 1c6s s LEU 65 Cb 0.06 -2.53 0.06 0.00 0.02 0.00 0.00 46.19 43.80 1c6s s LEU 65 CO 0.76 -0.49 0.07 0.41 0.02 0.00 0.00 176.35 177.12 1c6s n THR 66 N 5.42 0.00 0.06 5.49 -1.04 -1.26 -4.27 114.28 118.68 1c6s n THR 66 Ca -0.06 -0.01 -0.03 0.00 -2.04 0.00 0.00 64.05 61.91 1c6s n THR 66 Cb 0.49 -0.18 -0.02 0.00 -1.82 0.00 0.00 70.33 68.80 1c6s n THR 66 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1c6s h ASP 67 N -2.24 -0.19 0.09 8.00 3.58 -1.98 0.11 116.42 123.80 1c6s h ASP 67 Ca -0.10 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1c6s h ASP 67 Cb 0.33 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1c6s h ASP 67 CO 0.06 0.17 0.00 -0.62 -2.88 0.00 0.00 179.24 175.97 1c6s n GLU 68 N -4.26 0.01 -0.06 0.28 1.02 -1.26 -1.02 120.64 115.35 1c6s n GLU 68 Ca -0.03 0.43 -0.14 0.00 -0.02 0.00 0.00 57.16 57.40 1c6s n GLU 68 Cb 0.09 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.87 1c6s n GLU 68 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1c6s n GLN 69 N -1.47 0.68 0.14 3.49 3.00 -1.20 -0.92 117.38 121.10 1c6s n GLN 69 Ca 0.01 0.18 0.12 0.00 -0.01 0.00 0.00 57.00 57.30 1c6s n GLN 69 Cb 0.03 -1.65 0.50 0.00 0.00 0.00 0.00 30.24 29.13 1c6s n GLN 69 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1c6s n ILE 70 N -3.14 0.83 -0.00 5.09 2.08 0.38 -0.62 119.36 123.98 1c6s n ILE 70 Ca -0.31 0.24 -0.00 0.00 0.56 0.00 0.00 62.75 63.24 1c6s n ILE 70 Cb 1.06 -1.18 -0.00 0.00 -0.75 0.00 0.00 39.64 38.77 1c6s n ILE 70 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1c6s n GLN 71 N -2.27 0.01 -0.21 0.38 3.00 -0.82 -4.06 117.38 113.41 1c6s n GLN 71 Ca 0.02 0.07 0.20 0.00 -0.01 0.00 0.00 57.00 57.28 1c6s n GLN 71 Cb 0.23 -0.58 0.55 0.00 0.00 0.00 0.00 30.24 30.44 1c6s n GLN 71 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1c6s h ASP 72 N -0.01 0.32 0.40 1.08 3.32 -1.10 0.11 116.42 120.55 1c6s h ASP 72 Ca 0.00 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 1c6s h ASP 72 Cb 0.01 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1c6s h ASP 72 CO 0.00 0.14 -0.47 1.62 -1.72 0.00 0.00 179.24 178.81 1c6s h VAL 73 N 0.33 1.34 0.21 -1.35 3.04 -1.06 2.55 116.25 121.31 1c6s h VAL 73 Ca 0.44 -1.63 -0.01 0.00 -1.01 0.00 0.00 66.70 64.49 1c6s h VAL 73 Cb 1.19 1.83 0.00 0.00 -2.01 0.00 0.00 31.29 32.30 1c6s h VAL 73 CO -0.14 0.47 -0.10 0.00 -1.01 0.00 0.00 177.57 176.80 1c6s h ALA 74 N 1.46 -0.28 0.00 3.17 0.00 -0.96 -2.06 119.26 120.59 1c6s h ALA 74 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1c6s h ALA 74 Cb 0.85 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1c6s h ALA 74 CO 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.02 1c6s h ALA 75 N -0.79 1.00 -0.56 0.00 0.00 -1.28 0.72 119.26 118.35 1c6s h ALA 75 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1c6s h ALA 75 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1c6s h ALA 75 CO 0.05 0.00 0.11 -0.92 0.00 0.00 0.00 179.25 178.49 1c6s h TYR 76 N 0.00 0.98 0.00 0.00 3.20 0.48 0.87 116.97 122.50 1c6s h TYR 76 Ca 0.00 -0.13 -0.06 0.00 3.14 0.00 0.00 58.73 61.68 1c6s h TYR 76 Cb 0.01 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 1c6s h TYR 76 CO 0.00 0.85 -0.27 0.28 -1.64 0.00 0.00 178.16 177.37 1c6s h VAL 77 N 0.82 0.62 -0.00 1.81 2.07 -0.16 -0.70 116.25 120.70 1c6s h VAL 77 Ca 0.17 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1c6s h VAL 77 Cb 0.38 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1c6s h VAL 77 CO 0.01 0.27 -0.21 0.18 0.02 0.00 0.00 177.57 177.84 1c6s n LEU 78 N -3.38 0.38 -0.12 2.57 4.77 -0.65 -2.38 117.00 118.19 1c6s n LEU 78 Ca 0.00 0.13 -0.16 0.00 -0.03 0.00 0.00 56.01 55.96 1c6s n LEU 78 Cb 0.48 -0.29 -0.13 0.00 -2.33 0.00 0.00 43.42 41.15 1c6s n LEU 78 CO 0.35 0.08 -1.27 -0.67 -1.33 0.00 0.00 177.39 174.55 1c6s n ASP 79 N -1.26 1.37 0.11 -1.43 2.03 0.21 -4.11 116.55 113.47 1c6s n ASP 79 Ca 0.09 -0.08 -0.23 0.00 0.52 0.00 0.00 54.79 55.09 1c6s n ASP 79 Cb 0.32 0.01 -0.14 0.00 -0.72 0.00 0.00 41.12 40.59 1c6s n ASP 79 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1c6s h GLN 80 N 0.00 0.59 -0.65 -0.67 1.08 -1.24 -3.14 115.11 111.09 1c6s h GLN 80 Ca -0.56 -0.87 -0.03 0.00 -1.45 0.00 0.00 58.65 55.73 1c6s h GLN 80 Cb 2.01 0.30 -0.03 0.00 -0.05 0.00 0.00 27.48 29.71 1c6s h GLN 80 CO -0.05 1.40 0.26 0.00 -0.95 0.00 0.00 178.83 179.50 1c6s h ALA 81 N 0.23 1.25 -0.33 3.87 0.00 -1.70 -0.75 119.26 121.83 1c6s h ALA 81 Ca -0.21 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1c6s h ALA 81 Cb 2.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1c6s h ALA 81 CO 0.25 0.55 0.00 0.00 0.00 0.00 0.00 179.25 180.05 1c6s n ALA 82 N -2.45 2.73 -2.28 0.00 0.00 -1.24 -4.05 120.51 113.23 1c6s n ALA 82 Ca 0.06 -0.75 -0.01 0.00 0.00 0.00 0.00 53.44 52.73 1c6s n ALA 82 Cb 0.17 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 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 0.46 0.09 -1.13 0.00 2.85 -0.73 -5.05 118.16 114.65 1c6s n LYS 83 Ca 0.13 -1.55 0.00 0.00 -1.05 0.00 0.00 58.31 55.84 1c6s n LYS 83 Cb 0.47 0.20 0.00 0.00 -0.65 0.00 0.00 35.03 35.05 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 0.17 -0.15 3.23 2.58 0.00 -1.00 -4.77 105.19 105.25 1c6s n GLY 84 Ca -0.11 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.60 0.04 -1.67 1.61 7.02 -0.37 -1.41 117.44 122.06 1c6s n TRP 85 Ca 0.00 -0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 1c6s n TRP 85 Cb 0.22 -0.58 -0.02 0.00 -2.42 0.00 0.00 31.31 28.51 1c6s n TRP 85 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1c6s n ALA 86 N 5.51 -0.38 -0.08 6.99 0.00 -1.26 -4.76 120.51 126.52 1c6s n ALA 86 Ca 0.30 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1c6s n ALA 86 Cb 0.35 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1c6s n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91