#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 2.72 0.00 0.00 5.68 -1.26 -4.67 116.55 119.03 1c6s n ASP 2 Ca 0.00 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.37 1c6s n ASP 2 Cb 0.00 0.53 0.44 0.00 -1.14 0.00 0.00 41.12 40.95 1c6s n ASP 2 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1c6s n LEU 3 N -0.84 0.00 0.03 -2.12 4.32 -1.26 -1.86 117.00 115.27 1c6s n LEU 3 Ca 0.00 0.16 -0.01 0.00 -0.02 0.00 0.00 56.01 56.14 1c6s n LEU 3 Cb 0.01 -0.16 0.27 0.00 -1.62 0.00 0.00 43.42 41.92 1c6s n LEU 3 CO 0.00 -0.08 0.82 0.00 -1.22 0.00 0.00 177.39 176.91 1c6s h ALA 4 N 2.87 1.26 0.00 -1.18 0.00 -1.95 0.24 119.26 120.50 1c6s h ALA 4 Ca 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1c6s h ALA 4 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1c6s h ALA 4 CO 0.00 0.49 -0.21 -0.91 0.00 0.00 0.00 179.25 178.62 1c6s h ASN 5 N 0.40 0.00 0.56 0.00 2.35 -1.72 -2.70 115.58 114.47 1c6s h ASN 5 Ca 0.07 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1c6s h ASN 5 Cb 0.51 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.89 1c6s h ASN 5 CO 0.03 0.21 -0.27 1.23 -1.65 0.00 0.00 177.43 176.98 1c6s h GLY 6 N 1.32 -0.79 0.25 2.83 0.00 -0.63 -2.58 103.07 103.46 1c6s h GLY 6 Ca -0.00 0.29 0.23 0.00 0.00 0.00 0.00 47.33 47.85 1c6s h GLY 6 CO 0.03 -0.29 0.61 0.00 0.00 0.00 0.00 176.54 176.89 1c6s h ALA 7 N -1.53 2.45 -0.84 3.60 0.00 -1.39 0.31 119.26 121.86 1c6s h ALA 7 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1c6s h ALA 7 Cb 0.58 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1c6s h ALA 7 CO 0.13 -0.73 0.54 -0.22 0.00 0.00 0.00 179.25 178.96 1c6s h LYS 8 N 0.25 1.01 0.01 0.00 3.11 -1.21 0.94 116.57 120.67 1c6s h LYS 8 Ca 0.46 -0.06 -0.00 0.00 -2.81 0.00 0.00 60.65 58.24 1c6s h LYS 8 Cb 1.39 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 32.39 1c6s h LYS 8 CO -0.12 0.67 -0.00 0.28 -2.81 0.00 0.00 179.45 177.46 1c6s h VAL 9 N 1.04 1.44 -0.23 2.00 2.07 -0.10 -3.26 116.25 119.20 1c6s h VAL 9 Ca 0.34 -2.00 0.07 0.00 0.82 0.00 0.00 66.70 65.93 1c6s h VAL 9 Cb 0.03 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1c6s h VAL 9 CO -0.12 0.47 0.31 0.15 0.02 0.00 0.00 177.57 178.41 1c6s h PHE 10 N -0.96 0.00 -0.39 1.57 3.04 -0.85 0.31 116.94 119.66 1c6s h PHE 10 Ca -0.00 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.82 1c6s h PHE 10 Cb 0.79 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 39.22 1c6s h PHE 10 CO 0.21 0.00 0.16 -1.13 -2.02 0.00 0.00 178.31 175.54 1c6s n SER 11 N -3.56 3.36 -0.08 0.41 3.41 0.31 -1.21 113.62 116.25 1c6s n SER 11 Ca 0.03 -2.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.02 1c6s n SER 11 Cb 0.44 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1c6s n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c6s n GLY 12 N 0.00 0.87 0.08 5.00 0.00 0.10 -4.89 105.19 106.35 1c6s n GLY 12 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1c6s n GLY 12 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1c6s n ASN 13 N 0.00 0.00 -0.05 1.61 0.23 -0.95 -4.91 115.26 111.19 1c6s n ASN 13 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 53.95 1c6s n ASN 13 Cb 0.50 0.01 -0.15 0.00 -2.08 0.00 0.00 39.78 38.07 1c6s n ASN 13 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1c6s h ALA 15 N 0.90 1.21 -0.63 0.00 0.00 -1.48 1.09 119.26 120.36 1c6s h ALA 15 Ca -0.38 0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1c6s h ALA 15 Cb 2.08 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 20.31 1c6s h ALA 15 CO 0.06 -0.56 0.36 0.00 0.00 0.00 0.00 179.25 179.11 1c6s h ALA 16 N 1.90 0.83 -0.40 0.00 0.00 -1.87 -2.21 119.26 117.52 1c6s h ALA 16 Ca 0.58 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.32 1c6s h ALA 16 Cb 1.21 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.76 1c6s h ALA 16 CO -0.82 0.05 -0.00 0.00 0.00 0.00 0.00 179.25 178.47 1c6s n HIS 18 N -1.03 -1.43 -2.14 0.00 -0.00 0.33 -3.40 115.22 107.56 1c6s n HIS 18 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.06 1c6s n HIS 18 Cb 1.07 0.29 0.00 0.00 -0.00 0.00 0.00 29.99 31.35 1c6s n HIS 18 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1c6s n MET 19 N -1.87 -4.25 -4.01 -0.41 2.81 -0.86 -0.72 117.12 107.80 1c6s n MET 19 Ca 0.00 3.03 -0.41 0.00 -1.81 0.00 0.00 57.70 58.51 1c6s n MET 19 Cb 0.00 -3.65 0.01 0.00 -0.71 0.00 0.00 33.22 28.87 1c6s n MET 19 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1c6s n GLY 20 N 1.89 -0.97 3.83 3.03 0.00 -1.26 -1.32 105.19 110.38 1c6s n GLY 20 Ca 0.00 0.41 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.98 -1.13 2.48 -0.02 0.00 -1.26 -4.40 105.19 98.87 1c6s n GLY 21 Ca -0.17 0.50 -0.16 0.00 0.00 0.00 0.00 46.02 46.19 1c6s n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c6s n GLY 22 N -1.80 1.45 3.21 -0.02 0.00 0.10 -4.34 105.19 103.78 1c6s n GLY 22 Ca -0.21 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 1c6s n GLY 22 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1c6s n ASN 23 N 1.46 -2.92 0.00 1.61 0.23 -1.22 -3.67 115.26 110.75 1c6s n ASN 23 Ca 0.15 0.04 0.00 0.00 -0.53 0.00 0.00 54.58 54.24 1c6s n ASN 23 Cb 0.59 -0.89 0.00 0.00 -2.08 0.00 0.00 39.78 37.40 1c6s n ASN 23 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 1c6s n VAL 24 N -3.80 0.00 0.09 3.53 0.24 -1.22 -4.63 118.33 112.54 1c6s n VAL 24 Ca 0.01 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.08 1c6s n VAL 24 Cb 0.63 -0.33 -0.15 0.00 -1.47 0.00 0.00 33.84 32.51 1c6s n VAL 24 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1c6s h VAL 25 N 0.00 1.15 0.66 3.34 2.07 -1.93 -3.36 116.25 118.19 1c6s h VAL 25 Ca 0.00 -2.58 -0.03 0.00 0.82 0.00 0.00 66.70 64.91 1c6s h VAL 25 Cb 0.56 2.93 0.01 0.00 -1.52 0.00 0.00 31.29 33.26 1c6s h VAL 25 CO 0.00 0.81 -0.32 0.24 0.02 0.00 0.00 177.57 178.32 1c6s h MET 26 N 0.02 -0.86 -0.69 1.57 2.07 -1.92 -3.47 114.93 111.65 1c6s h MET 26 Ca -0.28 0.06 -0.12 0.00 -2.07 0.00 0.00 59.70 57.29 1c6s h MET 26 Cb 2.04 0.20 -0.02 0.00 -1.87 0.00 0.00 31.60 31.95 1c6s h MET 26 CO 0.20 -0.55 -0.14 0.00 1.07 0.00 0.00 176.91 177.49 1c6s n ALA 27 N -2.51 -0.15 0.00 6.32 0.00 -1.26 -4.60 120.51 118.31 1c6s n ALA 27 Ca -0.13 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1c6s n ALA 27 Cb 0.37 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.92 0.00 -3.18 0.00 0.23 -1.26 -4.99 115.26 106.97 1c6s n ASN 28 Ca -0.07 0.00 -0.36 0.00 -0.53 0.00 0.00 54.58 53.62 1c6s n ASN 28 Cb 0.45 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.13 1c6s n ASN 28 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1c6s n LYS 29 N -0.32 3.95 -0.89 -3.83 5.02 -1.26 -4.69 118.16 116.14 1c6s n LYS 29 Ca 0.00 -3.13 -0.30 0.00 -2.02 0.00 0.00 58.31 52.86 1c6s n LYS 29 Cb 0.00 -2.48 0.26 0.00 -0.02 0.00 0.00 35.03 32.78 1c6s n LYS 29 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1c6s s THR 30 N -1.48 1.48 -1.20 -0.18 2.01 -1.26 -4.77 115.64 110.24 1c6s s THR 30 Ca 0.56 0.00 0.22 0.00 0.31 0.00 0.00 61.69 62.77 1c6s s THR 30 Cb 0.24 -2.38 -0.16 0.00 0.01 0.00 0.00 72.50 70.22 1c6s s THR 30 CO -0.13 0.00 0.99 0.18 -0.69 0.00 0.00 174.62 174.97 1c6s n LEU 31 N -5.02 1.14 0.00 4.42 4.77 -1.26 -3.90 117.00 117.14 1c6s n LEU 31 Ca 0.13 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1c6s n LEU 31 Cb 0.60 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1c6s n LEU 31 CO 0.44 0.26 0.33 2.29 -1.33 0.00 0.00 177.39 179.38 1c6s n LYS 32 N -1.22 0.00 0.00 3.23 2.85 -1.26 -4.41 118.16 117.34 1c6s n LYS 32 Ca 0.05 0.52 0.00 0.00 -1.05 0.00 0.00 58.31 57.83 1c6s n LYS 32 Cb 0.36 -1.16 0.00 0.00 -0.65 0.00 0.00 35.03 33.57 1c6s n LYS 32 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1c6s n LYS 33 N -1.46 0.00 0.18 -1.58 4.81 -1.26 -4.03 118.16 114.82 1c6s n LYS 33 Ca 0.00 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.61 1c6s n LYS 33 Cb 0.00 0.00 0.81 0.00 0.02 0.00 0.00 35.03 35.86 1c6s n LYS 33 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1c6s h GLU 34 N 0.00 0.00 0.00 1.64 4.11 -1.91 -1.26 114.58 117.16 1c6s h GLU 34 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1c6s h GLU 34 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1c6s h GLU 34 CO 0.00 0.00 -0.96 0.00 0.07 0.00 0.00 179.01 178.12 1c6s n ALA 35 N -2.36 1.09 -0.31 1.06 0.00 -1.26 -3.18 120.51 115.55 1c6s n ALA 35 Ca 0.02 -0.75 0.31 0.00 0.00 0.00 0.00 53.44 53.02 1c6s n ALA 35 Cb 0.36 0.05 0.68 0.00 0.00 0.00 0.00 19.45 20.55 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 -0.91 0.12 0.00 0.00 -0.00 -1.67 0.60 115.31 113.45 1c6s h LEU 36 Ca -0.02 0.02 -0.11 0.00 -0.00 0.00 0.00 57.88 57.77 1c6s h LEU 36 Cb 0.93 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.58 1c6s h LEU 36 CO -0.01 0.02 -1.38 -0.62 -0.00 0.00 0.00 178.44 176.45 1c6s n GLU 37 N -4.31 0.62 -0.26 0.17 1.02 -0.48 -0.33 120.64 117.07 1c6s n GLU 37 Ca 0.25 0.14 -0.06 0.00 -0.02 0.00 0.00 57.16 57.48 1c6s n GLU 37 Cb 1.13 -1.78 0.05 0.00 -0.02 0.00 0.00 31.44 30.82 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 0.00 1.01 0.00 3.49 5.75 0.21 -3.36 115.11 122.20 1c6s h GLN 38 Ca -0.12 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.26 1c6s h GLN 38 Cb 1.38 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.73 1c6s h GLN 38 CO 0.03 0.76 0.00 1.19 -2.65 0.00 0.00 178.83 178.15 1c6s n PHE 39 N -4.47 0.00 0.00 3.99 3.72 -0.65 -5.06 117.46 114.98 1c6s n PHE 39 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1c6s n PHE 39 Cb 0.09 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 2.22 -1.15 0.60 1.37 0.00 -0.83 -5.07 105.19 102.32 1c6s n GLY 40 Ca 0.00 0.70 -0.03 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.74 1.61 0.00 0.55 -4.96 117.12 113.58 1c6s n MET 41 Ca 0.00 -0.36 0.08 0.00 0.00 0.00 0.00 57.70 57.42 1c6s n MET 41 Cb 0.00 0.31 0.36 0.00 0.00 0.00 0.00 33.22 33.89 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 1.70 -4.20 3.17 9.36 -1.22 -4.29 117.16 121.68 1c6s n TYR 42 Ca -0.10 -0.75 -0.33 0.00 3.32 0.00 0.00 57.90 60.03 1c6s n TYR 42 Cb 0.43 -0.43 -0.08 0.00 -0.63 0.00 0.00 39.34 38.63 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 -1.11 5.45 0.06 2.98 0.01 -1.26 -4.89 113.70 114.94 1c6s s SER 43 Ca 0.51 0.11 -0.16 0.00 1.31 0.00 0.00 55.95 57.71 1c6s s SER 43 Cb 0.38 -1.53 -0.05 0.00 0.21 0.00 0.00 66.02 65.04 1c6s s SER 43 CO 0.15 0.30 1.27 -0.33 0.41 0.00 0.00 173.24 175.03 1c6s h GLU 44 N 4.38 -0.18 -1.05 12.44 5.08 -1.92 0.33 114.58 133.66 1c6s h GLU 44 Ca -0.50 0.01 0.29 0.00 -1.00 0.00 0.00 59.36 58.17 1c6s h GLU 44 Cb 1.18 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 1c6s h GLU 44 CO 0.59 -0.12 0.73 0.22 -1.00 0.00 0.00 179.01 179.43 1c6s h ASP 45 N -0.19 0.13 0.00 1.42 1.82 -1.96 0.31 116.42 117.95 1c6s h ASP 45 Ca 0.04 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1c6s h ASP 45 Cb 0.29 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.30 1c6s h ASP 45 CO -0.30 0.03 0.00 0.00 -1.61 0.00 0.00 179.24 177.36 1c6s n ALA 46 N -2.67 -0.06 0.21 -0.78 0.00 0.11 -1.93 120.51 115.40 1c6s n ALA 46 Ca 0.23 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.80 1c6s n ALA 46 Cb 1.04 0.00 0.68 0.00 0.00 0.00 0.00 19.45 21.18 1c6s n ALA 46 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1c6s h ILE 47 N 0.00 0.00 -0.23 0.00 2.10 -1.29 0.31 117.51 118.40 1c6s h ILE 47 Ca 0.00 0.00 -0.18 0.00 1.08 0.00 0.00 64.86 65.76 1c6s h ILE 47 Cb 0.00 0.56 -0.00 0.00 -1.09 0.00 0.00 36.82 36.29 1c6s h ILE 47 CO 0.00 0.00 -0.59 0.40 -1.08 0.00 0.00 178.15 176.88 1c6s h ILE 48 N 0.00 1.29 0.00 2.19 2.04 -0.34 0.38 117.51 123.08 1c6s h ILE 48 Ca 0.00 -1.80 0.00 0.00 1.00 0.00 0.00 64.86 64.06 1c6s h ILE 48 Cb 0.16 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1c6s h ILE 48 CO 0.00 0.58 -0.37 0.00 0.00 0.00 0.00 178.15 178.36 1c6s n TYR 49 N -3.97 0.21 0.72 1.37 9.36 0.01 -1.46 117.16 123.40 1c6s n TYR 49 Ca -0.04 0.06 0.11 0.00 3.32 0.00 0.00 57.90 61.35 1c6s n TYR 49 Cb 0.64 -0.46 -0.01 0.00 -0.63 0.00 0.00 39.34 38.88 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 -1.71 0.18 -0.11 2.98 -0.06 -0.66 -3.94 117.38 114.07 1c6s n GLN 50 Ca 0.05 -0.02 -0.14 0.00 -2.00 0.00 0.00 57.00 54.90 1c6s n GLN 50 Cb 0.37 -1.54 -0.11 0.00 -4.06 0.00 0.00 30.24 24.89 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 -1.77 1.27 0.31 1.69 0.31 0.13 -1.37 118.33 118.91 1c6s n VAL 51 Ca 0.03 -0.57 0.06 0.00 -0.01 0.00 0.00 64.34 63.85 1c6s n VAL 51 Cb 0.40 -1.08 0.28 0.00 -0.91 0.00 0.00 33.84 32.52 1c6s n VAL 51 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1c6s n GLN 52 N -3.02 0.04 -2.13 5.55 7.27 -0.54 -2.67 117.38 121.89 1c6s n GLN 52 Ca -0.37 0.38 -0.02 0.00 0.07 0.00 0.00 57.00 57.06 1c6s n GLN 52 Cb 0.97 -1.60 0.07 0.00 2.41 0.00 0.00 30.24 32.09 1c6s n GLN 52 CO 0.00 0.00 0.00 -2.39 0.07 0.00 0.00 177.06 174.74 1c6s n HIS 53 N -1.69 -1.31 -0.41 3.69 1.44 -1.25 0.43 115.22 116.13 1c6s n HIS 53 Ca 0.02 -1.14 0.00 0.00 -2.01 0.00 0.00 57.72 54.58 1c6s n HIS 53 Cb 0.12 1.17 0.00 0.00 0.12 0.00 0.00 29.99 31.40 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 -0.98 2.41 0.00 -1.39 0.00 -0.47 -4.15 105.19 100.61 1c6s n GLY 54 Ca -0.15 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.18 -3.98 118.16 132.62 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 -1.93 4.39 3.02 -1.26 -2.16 115.26 117.33 1c6s n ASN 56 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 1c6s n ASN 56 Cb 0.00 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.23 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 3.28 4.04 -2.43 5.41 0.00 -1.26 -5.04 120.51 124.51 1c6s n ALA 57 Ca 0.00 -3.37 -0.31 0.00 0.00 0.00 0.00 53.44 49.76 1c6s n ALA 57 Cb 0.00 -0.48 -0.14 0.00 0.00 0.00 0.00 19.45 18.83 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 -3.33 2.22 -0.54 0.00 0.00 -0.92 -5.06 119.30 111.68 1c6s s MET 58 Ca 0.42 -0.87 -0.27 0.00 0.00 0.00 0.00 55.69 54.97 1c6s s MET 58 Cb 0.38 -2.22 -0.01 0.00 0.00 0.00 0.00 34.83 32.98 1c6s s MET 58 CO -0.01 0.57 1.72 -1.25 0.00 0.00 0.00 175.02 176.05 1c6s s PRO 59 N -1.02 2.96 -0.31 4.11 0.04 -1.26 -3.10 135.00 136.42 1c6s s PRO 59 Ca 0.13 0.73 -0.28 0.00 0.04 0.00 0.00 61.00 61.62 1c6s s PRO 59 Cb -0.10 -4.28 -0.06 0.00 0.04 0.00 0.00 34.50 30.10 1c6s s PRO 59 CO 0.02 -2.33 2.28 0.00 0.04 0.00 0.00 177.00 177.01 1c6s n ALA 60 N 11.35 1.47 0.06 8.56 0.00 -1.26 -3.74 120.51 136.96 1c6s n ALA 60 Ca 0.19 -0.40 -0.21 0.00 0.00 0.00 0.00 53.44 53.02 1c6s n ALA 60 Cb 0.50 -2.95 -0.12 0.00 0.00 0.00 0.00 19.45 16.88 1c6s n ALA 60 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1c6s h PHE 61 N 15.89 0.93 -1.45 0.00 0.04 -1.60 -3.45 116.94 127.31 1c6s h PHE 61 Ca -0.35 -0.55 -0.16 0.00 2.80 0.00 0.00 57.97 59.70 1c6s h PHE 61 Cb 1.26 -0.09 -0.06 0.00 2.20 0.00 0.00 35.95 39.26 1c6s h PHE 61 CO 0.95 1.39 -0.15 0.00 -0.60 0.00 0.00 178.31 179.91 1c6s n ALA 62 N -2.66 -0.12 0.00 2.45 0.00 0.17 -2.14 120.51 118.21 1c6s n ALA 62 Ca -0.12 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1c6s n ALA 62 Cb 0.89 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.11 0.88 0.23 0.00 0.00 -1.26 -5.05 105.19 99.88 1c6s n GLY 63 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 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 0.50 0.00 1.61 0.63 -0.91 -4.93 116.66 113.55 1c6s n ARG 64 Ca 0.00 0.21 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 1c6s n ARG 64 Cb 0.00 -1.35 0.00 0.00 0.45 0.00 0.00 32.46 31.56 1c6s n ARG 64 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1c6s n LEU 65 N -4.19 0.00 -4.93 6.15 7.99 -1.26 -4.96 117.00 115.80 1c6s n LEU 65 Ca -0.34 0.00 -0.27 0.00 -0.01 0.00 0.00 56.01 55.39 1c6s n LEU 65 Cb 0.69 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.97 1c6s n LEU 65 CO 0.09 0.00 -0.00 -0.89 -1.51 0.00 0.00 177.39 175.08 1c6s s THR 66 N 0.00 5.23 0.05 -5.08 2.01 -1.26 -4.96 115.64 111.63 1c6s s THR 66 Ca 0.00 -0.40 -0.27 0.00 0.31 0.00 0.00 61.69 61.33 1c6s s THR 66 Cb 0.00 -3.73 -0.17 0.00 0.01 0.00 0.00 72.50 68.61 1c6s s THR 66 CO 0.00 -0.14 1.48 -0.78 -0.69 0.00 0.00 174.62 174.50 1c6s h ASP 67 N 2.11 -0.36 0.00 3.53 3.58 -1.94 0.46 116.42 123.79 1c6s h ASP 67 Ca -0.48 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 56.88 1c6s h ASP 67 Cb 1.19 0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.33 1c6s h ASP 67 CO 0.69 -0.12 0.00 1.21 -2.88 0.00 0.00 179.24 178.13 1c6s n GLU 68 N -5.20 0.24 -0.01 0.28 2.13 -1.26 -1.94 120.64 114.87 1c6s n GLU 68 Ca -0.10 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.72 1c6s n GLU 68 Cb 0.23 -1.42 -0.04 0.00 0.27 0.00 0.00 31.44 30.48 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 -0.92 1.84 0.34 5.31 3.00 -0.63 -0.79 117.38 125.53 1c6s n GLN 69 Ca 0.05 -0.02 0.22 0.00 -0.01 0.00 0.00 57.00 57.24 1c6s n GLN 69 Cb 0.02 -1.12 1.18 0.00 0.00 0.00 0.00 30.24 30.32 1c6s n GLN 69 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1c6s h ILE 70 N 0.00 0.00 0.00 5.09 2.04 -0.26 1.46 117.51 125.84 1c6s h ILE 70 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1c6s h ILE 70 Cb 0.81 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1c6s h ILE 70 CO 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 178.15 177.89 1c6s n GLN 71 N -3.05 0.15 -0.20 2.37 3.00 -1.18 -4.17 117.38 114.29 1c6s n GLN 71 Ca -0.03 0.13 0.01 0.00 -0.01 0.00 0.00 57.00 57.10 1c6s n GLN 71 Cb 0.10 -0.84 0.12 0.00 0.00 0.00 0.00 30.24 29.62 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 -0.30 0.13 -0.28 1.08 5.19 -0.77 0.10 116.42 121.57 1c6s h ASP 72 Ca 0.00 0.10 0.08 0.00 -0.62 0.00 0.00 57.03 56.59 1c6s h ASP 72 Cb 0.26 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 1c6s h ASP 72 CO 0.00 0.07 0.24 1.62 -3.12 0.00 0.00 179.24 178.05 1c6s h VAL 73 N 0.34 0.65 0.00 -1.35 3.04 0.18 1.77 116.25 120.88 1c6s h VAL 73 Ca 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.01 1c6s h VAL 73 Cb 0.44 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 1c6s h VAL 73 CO -0.36 0.00 -0.06 0.00 -1.01 0.00 0.00 177.57 176.15 1c6s h ALA 74 N 1.79 0.00 -0.20 3.17 0.00 -0.88 -2.19 119.26 120.94 1c6s h ALA 74 Ca 0.13 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1c6s h ALA 74 Cb 0.60 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1c6s h ALA 74 CO -0.00 0.06 0.48 0.00 0.00 0.00 0.00 179.25 179.79 1c6s h ALA 75 N -1.35 1.76 -0.16 0.00 0.00 -1.07 0.36 119.26 118.80 1c6s h ALA 75 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1c6s h ALA 75 Cb 0.06 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1c6s h ALA 75 CO 0.00 -0.59 -0.06 -0.92 0.00 0.00 0.00 179.25 177.68 1c6s h TYR 76 N 0.00 0.37 0.00 0.00 3.20 0.27 -1.92 116.97 118.89 1c6s h TYR 76 Ca 0.10 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1c6s h TYR 76 Cb 1.06 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.24 1c6s h TYR 76 CO 0.00 0.62 0.00 -0.24 -1.64 0.00 0.00 178.16 176.90 1c6s h VAL 77 N 0.01 0.00 0.00 1.81 3.04 0.36 0.49 116.25 121.96 1c6s h VAL 77 Ca 0.04 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 1c6s h VAL 77 Cb 0.51 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 1c6s h VAL 77 CO 0.02 0.00 -0.32 0.18 -1.01 0.00 0.00 177.57 176.44 1c6s n LEU 78 N -2.33 0.75 -0.09 3.16 4.77 -0.78 -0.79 117.00 121.70 1c6s n LEU 78 Ca 0.02 0.40 -0.19 0.00 -0.03 0.00 0.00 56.01 56.21 1c6s n LEU 78 Cb 0.21 -0.25 -0.13 0.00 -2.33 0.00 0.00 43.42 40.93 1c6s n LEU 78 CO 0.19 -0.11 -1.17 -0.67 -1.33 0.00 0.00 177.39 174.30 1c6s n ASP 79 N -2.18 1.96 0.13 -1.43 -0.08 -0.01 -4.21 116.55 110.73 1c6s n ASP 79 Ca 0.04 -0.02 -0.22 0.00 -1.51 0.00 0.00 54.79 53.08 1c6s n ASP 79 Cb 0.43 -0.51 -0.15 0.00 2.34 0.00 0.00 41.12 43.23 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 0.02 0.46 -0.78 -0.67 1.08 -1.17 -1.86 115.11 112.19 1c6s h GLN 80 Ca -0.53 -0.78 0.22 0.00 -1.45 0.00 0.00 58.65 56.11 1c6s h GLN 80 Cb 1.95 0.29 -0.03 0.00 -0.05 0.00 0.00 27.48 29.64 1c6s h GLN 80 CO -0.03 1.37 0.56 0.00 -0.95 0.00 0.00 178.83 179.78 1c6s h ALA 81 N 0.29 2.72 0.00 3.87 0.00 -1.10 0.32 119.26 125.36 1c6s h ALA 81 Ca -0.22 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 1c6s h ALA 81 Cb 2.11 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.93 1c6s h ALA 81 CO 0.25 -0.94 -1.17 0.00 0.00 0.00 0.00 179.25 177.40 1c6s h ALA 82 N 1.61 0.65 0.00 0.00 0.00 -1.72 -3.39 119.26 116.40 1c6s h ALA 82 Ca 0.37 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1c6s h ALA 82 Cb 1.47 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1c6s h ALA 82 CO -0.01 0.81 0.00 0.36 0.00 0.00 0.00 179.25 180.41 1c6s n LYS 83 N -2.97 0.00 0.08 0.00 0.00 0.97 -4.96 118.16 111.28 1c6s n LYS 83 Ca -0.06 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.32 1c6s n LYS 83 Cb 0.80 0.00 0.36 0.00 -0.00 0.00 0.00 35.03 36.19 1c6s n LYS 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1c6s n GLY 84 N 0.00 -0.93 3.56 2.58 0.00 -0.71 -4.36 105.19 105.34 1c6s n GLY 84 Ca 0.00 0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1c6s n GLY 84 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1c6s s TRP 85 N -3.22 1.47 0.61 1.61 0.23 -0.26 -4.68 118.94 114.70 1c6s s TRP 85 Ca 0.02 1.36 0.27 0.00 -2.03 0.00 0.00 56.10 55.72 1c6s s TRP 85 Cb 0.06 -3.71 1.28 0.00 0.03 0.00 0.00 33.47 31.13 1c6s s TRP 85 CO 0.22 -1.54 1.70 0.00 0.96 0.00 0.00 176.95 178.29 1c6s h ALA 86 N 11.82 2.23 0.00 0.98 0.00 -1.90 -3.47 119.26 128.91 1c6s h ALA 86 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1c6s h ALA 86 Cb 1.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1c6s h ALA 86 CO 1.10 -0.93 0.00 0.41 0.00 0.00 0.00 179.25 179.84