#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 3.91 0.00 0.00 8.00 -1.26 -4.61 116.55 122.59 1c6s n ASP 2 Ca 0.00 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.56 1c6s n ASP 2 Cb 0.00 0.70 0.31 0.00 -0.02 0.00 0.00 41.12 42.11 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 -1.28 0.00 0.25 0.64 4.77 -1.26 -1.62 117.00 118.50 1c6s n LEU 3 Ca 0.00 0.36 0.10 0.00 -0.03 0.00 0.00 56.01 56.44 1c6s n LEU 3 Cb 0.08 -0.36 0.70 0.00 -2.33 0.00 0.00 43.42 41.51 1c6s n LEU 3 CO 0.00 -0.20 1.09 0.00 -1.33 0.00 0.00 177.39 176.95 1c6s h ALA 4 N 2.55 1.95 -0.24 -1.18 0.00 -1.94 0.38 119.26 120.79 1c6s h ALA 4 Ca 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1c6s h ALA 4 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1c6s h ALA 4 CO 0.00 -0.06 -0.62 -0.91 0.00 0.00 0.00 179.25 177.66 1c6s h ASN 5 N 0.00 0.92 -0.39 0.00 -0.26 -1.66 -3.10 115.58 111.10 1c6s h ASN 5 Ca 0.02 -0.53 0.07 0.00 -0.56 0.00 0.00 56.30 55.30 1c6s h ASN 5 Cb 0.09 -0.27 -0.09 0.00 -1.06 0.00 0.00 38.32 37.00 1c6s h ASN 5 CO -0.00 1.32 -0.41 1.23 -1.06 0.00 0.00 177.43 178.50 1c6s h GLY 6 N 0.71 -0.52 0.28 2.83 0.00 -0.36 0.50 103.07 106.51 1c6s h GLY 6 Ca -0.01 0.53 0.17 0.00 0.00 0.00 0.00 47.33 48.02 1c6s h GLY 6 CO 0.13 -0.19 0.61 0.00 0.00 0.00 0.00 176.54 177.09 1c6s h ALA 7 N 0.45 1.76 -0.97 3.60 0.00 -1.47 0.42 119.26 123.06 1c6s h ALA 7 Ca 0.14 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1c6s h ALA 7 Cb 0.58 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 1c6s h ALA 7 CO -0.56 -0.08 0.61 -0.22 0.00 0.00 0.00 179.25 179.01 1c6s h LYS 8 N 0.74 1.06 0.00 0.00 3.11 0.04 0.77 116.57 122.28 1c6s h LYS 8 Ca 0.53 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 58.30 1c6s h LYS 8 Cb 0.84 -0.24 0.00 0.00 -1.00 0.00 0.00 32.23 31.84 1c6s h LYS 8 CO -0.30 0.70 -0.00 0.28 -2.81 0.00 0.00 179.45 177.33 1c6s h VAL 9 N 1.09 0.00 -0.97 2.00 2.07 0.77 -3.32 116.25 117.89 1c6s h VAL 9 Ca 0.43 -0.04 0.28 0.00 0.82 0.00 0.00 66.70 68.19 1c6s h VAL 9 Cb 0.22 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 1c6s h VAL 9 CO -0.19 0.00 1.13 0.15 0.02 0.00 0.00 177.57 178.68 1c6s h PHE 10 N -0.04 0.00 -0.61 1.57 3.04 -0.60 0.92 116.94 121.23 1c6s h PHE 10 Ca 0.00 0.00 -0.34 0.00 3.98 0.00 0.00 57.97 61.61 1c6s h PHE 10 Cb 0.00 0.00 -0.18 0.00 2.56 0.00 0.00 35.95 38.33 1c6s h PHE 10 CO -0.00 0.00 0.44 0.43 -2.02 0.00 0.00 178.31 177.16 1c6s n SER 11 N -3.31 4.43 0.00 0.41 7.64 0.26 0.50 113.62 123.54 1c6s n SER 11 Ca 0.22 -3.05 0.00 0.00 1.01 0.00 0.00 58.87 57.04 1c6s n SER 11 Cb 1.42 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 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 -0.34 0.00 0.76 0.23 0.00 0.31 -4.89 105.19 101.26 1c6s n GLY 12 Ca 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.32 0.70 0.12 1.61 3.02 -0.50 -4.67 115.26 115.23 1c6s n ASN 13 Ca 0.00 0.05 -0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1c6s n ASN 13 Cb 0.00 -0.13 0.06 0.00 -0.61 0.00 0.00 39.78 39.11 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 1.35 2.43 -0.53 0.00 0.00 -0.20 -1.35 119.26 120.96 1c6s h ALA 15 Ca -0.01 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1c6s h ALA 15 Cb 1.37 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 1c6s h ALA 15 CO 0.08 -0.62 0.29 0.00 0.00 0.00 0.00 179.25 179.01 1c6s h ALA 16 N 1.68 0.69 -0.38 0.00 0.00 -1.83 -2.47 119.26 116.96 1c6s h ALA 16 Ca 0.32 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.09 1c6s h ALA 16 Cb 1.07 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 1c6s h ALA 16 CO -0.04 -0.04 0.01 0.00 0.00 0.00 0.00 179.25 179.19 1c6s n HIS 18 N -0.90 -1.12 -2.45 0.00 8.25 -0.60 -3.23 115.22 115.18 1c6s n HIS 18 Ca 0.32 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.77 1c6s n HIS 18 Cb 1.05 0.26 -0.01 0.00 1.12 0.00 0.00 29.99 32.42 1c6s n HIS 18 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1c6s n MET 19 N -1.79 -1.91 -2.49 -0.41 1.56 -0.95 -3.11 117.12 108.01 1c6s n MET 19 Ca 0.00 1.48 -0.02 0.00 -0.27 0.00 0.00 57.70 58.89 1c6s n MET 19 Cb 0.00 -1.94 0.01 0.00 2.15 0.00 0.00 33.22 33.43 1c6s n MET 19 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1c6s n GLY 20 N 2.09 0.71 3.87 -5.12 0.00 -1.26 -3.48 105.19 102.01 1c6s n GLY 20 Ca -0.05 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.73 -0.44 2.74 -0.02 0.00 -1.26 -4.86 105.19 100.62 1c6s n GLY 21 Ca -0.01 0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.89 1.71 1.08 -0.02 0.00 -1.18 -3.30 107.32 102.72 1c6s s GLY 22 Ca 0.57 -2.60 -0.20 0.00 0.00 0.00 0.00 44.72 42.49 1c6s s GLY 22 CO 0.70 1.49 -0.31 -2.01 0.00 0.00 0.00 173.10 172.97 1c6s n ASN 23 N 3.59 -2.57 0.01 1.64 2.85 -1.26 -4.15 115.26 115.38 1c6s n ASN 23 Ca 0.08 -0.07 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1c6s n ASN 23 Cb 0.35 -0.87 0.00 0.00 1.24 0.00 0.00 39.78 40.49 1c6s n ASN 23 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1c6s n VAL 24 N -4.15 0.00 -0.33 3.44 0.24 -1.20 -4.81 118.33 111.53 1c6s n VAL 24 Ca 0.00 0.00 0.23 0.00 -2.04 0.00 0.00 64.34 62.53 1c6s n VAL 24 Cb 0.64 -0.02 0.46 0.00 -1.47 0.00 0.00 33.84 33.46 1c6s n VAL 24 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 1c6s h VAL 25 N 0.00 0.26 -0.67 3.34 3.04 -1.91 -3.40 116.25 116.91 1c6s h VAL 25 Ca 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1c6s h VAL 25 Cb 0.00 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 29.25 1c6s h VAL 25 CO 0.00 0.05 0.00 1.15 -1.01 0.00 0.00 177.57 177.76 1c6s n MET 26 N -5.11 -0.80 0.00 4.17 0.00 -1.26 -4.95 117.12 109.17 1c6s n MET 26 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.01 1c6s n MET 26 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.19 1c6s n MET 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1c6s n ALA 27 N -2.55 2.13 0.00 3.17 0.00 -1.26 -4.89 120.51 117.10 1c6s n ALA 27 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1c6s n ALA 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.20 0.00 -4.63 0.00 2.04 -1.26 -5.13 115.26 106.09 1c6s n ASN 28 Ca 0.00 0.00 -0.45 0.00 -0.44 0.00 0.00 54.58 53.69 1c6s n ASN 28 Cb 0.13 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.36 1c6s n ASN 28 CO 0.00 0.00 0.00 1.17 -0.44 0.00 0.00 177.26 177.99 1c6s n LYS 29 N 0.00 1.61 -4.70 -3.83 4.81 -1.26 -4.96 118.16 109.83 1c6s n LYS 29 Ca 0.00 0.57 -0.31 0.00 -0.87 0.00 0.00 58.31 57.69 1c6s n LYS 29 Cb 0.00 -2.07 -0.07 0.00 0.02 0.00 0.00 35.03 32.91 1c6s n LYS 29 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1c6s s THR 30 N -0.64 0.82 -0.43 3.15 2.01 -1.26 -4.09 115.64 115.20 1c6s s THR 30 Ca 0.63 -2.00 0.21 0.00 0.31 0.00 0.00 61.69 60.84 1c6s s THR 30 Cb -0.70 -2.10 -0.28 0.00 0.01 0.00 0.00 72.50 69.43 1c6s s THR 30 CO 0.56 0.00 0.64 0.18 -0.69 0.00 0.00 174.62 175.31 1c6s n LEU 31 N -1.20 0.42 0.00 4.42 7.99 -1.21 -4.15 117.00 123.28 1c6s n LEU 31 Ca -0.16 -0.22 0.00 0.00 -0.01 0.00 0.00 56.01 55.62 1c6s n LEU 31 Cb 0.66 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.97 1c6s n LEU 31 CO 0.35 0.10 0.00 0.29 -1.51 0.00 0.00 177.39 176.63 1c6s n LYS 32 N -1.91 0.00 0.00 3.23 5.02 -1.25 -4.71 118.16 118.54 1c6s n LYS 32 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1c6s n LYS 32 Cb 0.45 -0.38 0.00 0.00 -0.02 0.00 0.00 35.03 35.08 1c6s n LYS 32 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1c6s n LYS 33 N 0.00 0.00 -0.35 1.97 2.85 -1.26 -4.61 118.16 116.76 1c6s n LYS 33 Ca 0.00 0.00 0.24 0.00 -1.05 0.00 0.00 58.31 57.50 1c6s n LYS 33 Cb 0.00 0.00 0.51 0.00 -0.65 0.00 0.00 35.03 34.89 1c6s n LYS 33 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 1c6s h GLU 34 N 0.00 0.35 0.00 -1.58 4.11 -1.95 -1.86 114.58 113.65 1c6s h GLU 34 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1c6s h GLU 34 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1c6s h GLU 34 CO 0.00 0.23 -0.52 0.00 0.07 0.00 0.00 179.01 178.80 1c6s n ALA 35 N -2.44 1.70 -0.59 1.06 0.00 -1.26 -3.27 120.51 115.71 1c6s n ALA 35 Ca 0.28 -0.44 0.47 0.00 0.00 0.00 0.00 53.44 53.75 1c6s n ALA 35 Cb 0.96 0.11 0.76 0.00 0.00 0.00 0.00 19.45 21.27 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 -0.52 0.09 0.03 0.00 -0.00 -1.72 1.66 115.31 114.86 1c6s h LEU 36 Ca 0.00 0.07 -0.33 0.00 -0.00 0.00 0.00 57.88 57.61 1c6s h LEU 36 Cb 0.52 0.07 -0.05 0.00 -0.00 0.00 0.00 40.66 41.20 1c6s h LEU 36 CO 0.00 -0.10 -1.99 1.21 -0.00 0.00 0.00 178.44 177.56 1c6s n GLU 37 N -4.29 0.68 -0.63 0.17 0.00 -0.70 -2.97 120.64 112.90 1c6s n GLU 37 Ca 0.42 0.21 0.49 0.00 0.00 0.00 0.00 57.16 58.28 1c6s n GLU 37 Cb 1.78 -1.69 0.78 0.00 0.00 0.00 0.00 31.44 32.31 1c6s n GLU 37 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 1c6s h GLN 38 N 0.02 0.01 0.00 5.31 5.75 0.25 1.43 115.11 127.87 1c6s h GLN 38 Ca -0.40 -0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 57.99 1c6s h GLN 38 Cb 2.06 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.59 1c6s h GLN 38 CO 0.06 0.00 -0.60 0.74 -2.65 0.00 0.00 178.83 176.38 1c6s h PHE 39 N 0.01 0.00 0.00 3.99 0.04 -1.50 -3.50 116.94 115.98 1c6s h PHE 39 Ca 0.90 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.67 1c6s h PHE 39 Cb 3.45 0.00 0.00 0.00 2.20 0.00 0.00 35.95 41.60 1c6s h PHE 39 CO -0.00 1.12 0.00 0.41 -0.60 0.00 0.00 178.31 179.24 1c6s n GLY 40 N 1.54 0.21 0.35 -1.45 0.00 0.49 -5.07 105.19 101.25 1c6s n GLY 40 Ca -0.19 -0.53 -0.01 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.64 1.61 -0.00 -1.16 -4.95 117.12 111.98 1c6s n MET 41 Ca 0.00 -0.11 -0.02 0.00 -0.00 0.00 0.00 57.70 57.56 1c6s n MET 41 Cb 0.00 0.13 0.21 0.00 -0.00 0.00 0.00 33.22 33.56 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 1.53 -3.68 3.17 9.36 -1.23 -3.07 117.16 123.23 1c6s n TYR 42 Ca -0.03 -0.76 -0.20 0.00 3.32 0.00 0.00 57.90 60.22 1c6s n TYR 42 Cb 0.28 -0.47 -0.03 0.00 -0.63 0.00 0.00 39.34 38.48 1c6s n TYR 42 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1c6s s SER 43 N -0.47 5.44 0.00 2.98 1.04 -1.26 -4.84 113.70 116.60 1c6s s SER 43 Ca 0.35 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1c6s s SER 43 Cb 0.28 -0.99 0.00 0.00 0.10 0.00 0.00 66.02 65.40 1c6s s SER 43 CO 0.09 -0.41 0.97 -0.62 0.98 0.00 0.00 173.24 174.25 1c6s n GLU 44 N -1.47 0.00 0.26 4.02 1.02 -1.26 -0.05 120.64 123.15 1c6s n GLU 44 Ca -0.01 0.76 0.14 0.00 -0.02 0.00 0.00 57.16 58.04 1c6s n GLU 44 Cb 0.59 -1.47 0.63 0.00 -0.02 0.00 0.00 31.44 31.17 1c6s n GLU 44 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1c6s h ASP 45 N 0.00 0.00 0.00 1.62 1.82 -1.96 0.23 116.42 118.13 1c6s h ASP 45 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1c6s h ASP 45 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1c6s h ASP 45 CO 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.63 1c6s n ALA 46 N -1.92 -0.07 0.23 -0.78 0.00 0.92 -2.74 120.51 116.14 1c6s n ALA 46 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.56 1c6s n ALA 46 Cb 0.61 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.55 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 -1.46 1.07 0.09 0.00 3.06 -0.22 -0.70 119.36 121.19 1c6s n ILE 47 Ca 0.00 0.55 -0.07 0.00 -2.50 0.00 0.00 62.75 60.73 1c6s n ILE 47 Cb 0.00 -1.52 0.04 0.00 0.54 0.00 0.00 39.64 38.70 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 1.46 0.00 9.51 2.04 -0.63 0.10 117.51 129.99 1c6s h ILE 48 Ca 0.00 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.46 1c6s h ILE 48 Cb 0.11 2.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1c6s h ILE 48 CO 0.00 0.70 -1.11 0.00 0.00 0.00 0.00 178.15 177.74 1c6s n TYR 49 N -3.73 0.31 0.97 1.37 4.19 -0.05 -2.35 117.16 117.88 1c6s n TYR 49 Ca -0.03 0.09 0.12 0.00 3.31 0.00 0.00 57.90 61.39 1c6s n TYR 49 Cb 0.74 -0.49 0.20 0.00 0.49 0.00 0.00 39.34 40.28 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 -2.05 0.02 -0.11 2.98 -0.06 0.12 -3.83 117.38 114.45 1c6s n GLN 50 Ca 0.01 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 54.82 1c6s n GLN 50 Cb 0.46 -1.51 -0.09 0.00 -4.06 0.00 0.00 30.24 25.04 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 -1.53 1.23 0.12 1.69 0.31 0.34 -2.09 118.33 118.41 1c6s n VAL 51 Ca 0.05 -0.39 0.06 0.00 -0.01 0.00 0.00 64.34 64.05 1c6s n VAL 51 Cb 0.34 -1.53 0.29 0.00 -0.91 0.00 0.00 33.84 32.03 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 -3.57 0.07 -0.54 5.55 6.02 -0.99 0.11 117.38 124.03 1c6s n GLN 52 Ca -0.41 0.54 -0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1c6s n GLN 52 Cb 0.86 -1.71 -0.00 0.00 1.02 0.00 0.00 30.24 30.41 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 -1.85 0.00 -1.21 1.08 -0.00 -1.25 -2.66 115.22 109.33 1c6s n HIS 53 Ca -0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.69 1c6s n HIS 53 Cb 0.04 0.13 0.00 0.00 -0.00 0.00 0.00 29.99 30.16 1c6s n HIS 53 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1c6s n GLY 54 N 0.01 3.46 0.00 -1.41 0.00 -0.89 -3.90 105.19 102.46 1c6s n GLY 54 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.03 -3.85 118.16 132.90 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 -2.40 4.39 3.02 -1.26 -0.74 115.26 118.27 1c6s n ASN 56 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.38 1c6s n ASN 56 Cb 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 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 4.97 4.21 -2.51 5.41 0.00 -1.26 -5.05 120.51 126.28 1c6s n ALA 57 Ca 0.00 -3.56 -0.24 0.00 0.00 0.00 0.00 53.44 49.64 1c6s n ALA 57 Cb 0.00 -0.58 -0.14 0.00 0.00 0.00 0.00 19.45 18.72 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 -3.58 1.33 -0.17 0.00 0.00 0.08 -4.98 119.30 111.98 1c6s s MET 58 Ca 0.41 -0.81 -0.29 0.00 0.00 0.00 0.00 55.69 55.01 1c6s s MET 58 Cb 0.39 -1.37 -0.01 0.00 0.00 0.00 0.00 34.83 33.84 1c6s s MET 58 CO -0.03 0.36 1.19 -1.25 0.00 0.00 0.00 175.02 175.29 1c6s s PRO 59 N -0.91 4.25 1.00 4.11 0.04 -1.26 -2.45 135.00 139.78 1c6s s PRO 59 Ca 0.06 1.58 -0.23 0.00 0.04 0.00 0.00 61.00 62.45 1c6s s PRO 59 Cb -0.08 -3.71 -0.16 0.00 0.04 0.00 0.00 34.50 30.59 1c6s s PRO 59 CO 0.01 -0.66 -1.14 0.00 0.04 0.00 0.00 177.00 175.25 1c6s n ALA 60 N 6.38 -5.54 -1.40 8.56 0.00 -1.25 -3.85 120.51 123.41 1c6s n ALA 60 Ca 0.13 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1c6s n ALA 60 Cb 0.45 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 -3.16 0.00 0.31 0.00 3.72 0.29 -4.63 117.46 114.00 1c6s n PHE 61 Ca -0.02 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.54 1c6s n PHE 61 Cb 0.67 0.04 0.82 0.00 -0.94 0.00 0.00 39.48 40.07 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 1.26 0.00 4.37 0.00 -1.66 -2.51 119.26 120.72 1c6s h ALA 62 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1c6s h ALA 62 Cb 1.04 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.70 1c6s h ALA 62 CO 0.00 -0.26 -0.52 0.41 0.00 0.00 0.00 179.25 178.88 1c6s n GLY 63 N -1.21 0.75 0.12 0.00 0.00 -1.26 -4.83 105.19 98.75 1c6s n GLY 63 Ca -0.02 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 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 0.14 0.62 0.00 1.61 5.12 -0.95 -4.98 116.66 118.22 1c6s n ARG 64 Ca -0.03 0.13 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 1c6s n ARG 64 Cb 0.79 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.62 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 -3.15 0.00 -5.00 0.55 4.77 -1.20 -5.10 117.00 107.87 1c6s n LEU 65 Ca -0.41 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.38 1c6s n LEU 65 Cb 0.95 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.07 1c6s n LEU 65 CO 0.25 0.00 0.21 -0.89 -1.33 0.00 0.00 177.39 175.62 1c6s s THR 66 N 2.45 2.51 -0.04 -5.08 2.01 -1.26 -4.95 115.64 111.27 1c6s s THR 66 Ca 0.00 -1.07 -0.17 0.00 0.31 0.00 0.00 61.69 60.76 1c6s s THR 66 Cb 0.00 -2.59 -0.11 0.00 0.01 0.00 0.00 72.50 69.81 1c6s s THR 66 CO 0.00 0.00 0.71 0.44 -0.69 0.00 0.00 174.62 175.08 1c6s h ASP 67 N 0.50 -0.33 0.00 3.53 5.19 -1.95 -1.18 116.42 122.19 1c6s h ASP 67 Ca -0.36 -0.14 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1c6s h ASP 67 Cb 1.28 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.88 1c6s h ASP 67 CO 0.46 0.16 0.00 -0.62 -3.12 0.00 0.00 179.24 176.11 1c6s n GLU 68 N -5.04 0.18 -0.10 3.56 1.02 -1.26 -1.67 120.64 117.33 1c6s n GLU 68 Ca -0.07 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.91 1c6s n GLU 68 Cb 0.23 -1.33 -0.09 0.00 -0.02 0.00 0.00 31.44 30.23 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 -0.83 0.49 0.31 3.49 3.00 -1.06 -0.31 117.38 122.47 1c6s n GLN 69 Ca 0.03 0.14 0.17 0.00 -0.01 0.00 0.00 57.00 57.33 1c6s n GLN 69 Cb 0.01 -1.37 0.94 0.00 0.00 0.00 0.00 30.24 29.82 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 -0.21 0.00 0.00 5.09 1.08 -0.29 0.44 117.51 123.62 1c6s h ILE 70 Ca -0.48 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 1c6s h ILE 70 Cb 1.64 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 36.15 1c6s h ILE 70 CO -0.14 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.32 1c6s n GLN 71 N -2.85 0.00 -0.37 2.37 1.13 -1.11 -3.45 117.38 113.10 1c6s n GLN 71 Ca -0.02 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 1c6s n GLN 71 Cb 0.21 -0.43 0.06 0.00 0.11 0.00 0.00 30.24 30.20 1c6s n GLN 71 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1c6s n ASP 72 N -2.00 -0.58 -0.28 1.08 8.00 0.58 0.12 116.55 123.47 1c6s n ASP 72 Ca 0.00 1.71 -0.04 0.00 0.71 0.00 0.00 54.79 57.16 1c6s n ASP 72 Cb 0.00 -0.42 0.07 0.00 -0.02 0.00 0.00 41.12 40.75 1c6s n ASP 72 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1c6s h VAL 73 N 0.00 1.20 0.38 2.53 2.07 -0.31 2.42 116.25 124.55 1c6s h VAL 73 Ca 0.37 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1c6s h VAL 73 Cb 0.61 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1c6s h VAL 73 CO -0.98 0.20 -0.21 0.00 0.02 0.00 0.00 177.57 176.60 1c6s h ALA 74 N 1.28 -1.11 0.00 1.67 0.00 0.95 0.82 119.26 122.88 1c6s h ALA 74 Ca 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1c6s h ALA 74 Cb -0.11 0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1c6s h ALA 74 CO -0.06 -1.08 0.09 0.00 0.00 0.00 0.00 179.25 178.20 1c6s h ALA 75 N -1.67 1.08 -0.64 0.00 0.00 -0.67 0.94 119.26 118.29 1c6s h ALA 75 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1c6s h ALA 75 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1c6s h ALA 75 CO 0.07 -0.08 0.11 -0.92 0.00 0.00 0.00 179.25 178.43 1c6s h TYR 76 N 0.00 1.12 0.00 0.00 3.20 0.64 0.44 116.97 122.37 1c6s h TYR 76 Ca 0.00 -0.15 -0.07 0.00 3.14 0.00 0.00 58.73 61.64 1c6s h TYR 76 Cb 0.18 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1c6s h TYR 76 CO 0.00 0.95 -0.34 0.28 -1.64 0.00 0.00 178.16 177.40 1c6s h VAL 77 N 0.97 0.72 -0.00 1.81 2.07 0.96 -0.68 116.25 122.10 1c6s h VAL 77 Ca 0.19 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1c6s h VAL 77 Cb 0.43 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1c6s h VAL 77 CO 0.01 0.34 -0.29 0.18 0.02 0.00 0.00 177.57 177.83 1c6s n LEU 78 N -3.36 0.41 -0.11 2.57 4.77 -0.57 -2.38 117.00 118.32 1c6s n LEU 78 Ca 0.01 0.11 -0.15 0.00 -0.03 0.00 0.00 56.01 55.94 1c6s n LEU 78 Cb 0.55 -0.29 -0.14 0.00 -2.33 0.00 0.00 43.42 41.21 1c6s n LEU 78 CO 0.36 0.09 -1.25 -0.67 -1.33 0.00 0.00 177.39 174.60 1c6s n ASP 79 N -1.35 1.21 0.10 -1.43 2.03 0.14 -3.62 116.55 113.64 1c6s n ASP 79 Ca 0.08 -0.07 -0.22 0.00 0.52 0.00 0.00 54.79 55.10 1c6s n ASP 79 Cb 0.33 0.12 -0.15 0.00 -0.72 0.00 0.00 41.12 40.70 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 0.43 0.00 -0.67 1.08 -1.24 -3.25 115.11 111.46 1c6s h GLN 80 Ca -0.56 -0.72 0.00 0.00 -1.45 0.00 0.00 58.65 55.92 1c6s h GLN 80 Cb 2.04 0.27 0.00 0.00 -0.05 0.00 0.00 27.48 29.73 1c6s h GLN 80 CO -0.04 1.34 0.00 0.00 -0.95 0.00 0.00 178.83 179.18 1c6s h ALA 81 N 0.13 1.00 0.00 3.87 0.00 -1.70 0.11 119.26 122.67 1c6s h ALA 81 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1c6s h ALA 81 Cb 1.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1c6s h ALA 81 CO 0.21 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1c6s n ALA 82 N -2.03 2.44 -2.64 0.00 0.00 -1.23 -4.23 120.51 112.83 1c6s n ALA 82 Ca 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.37 1c6s n ALA 82 Cb 0.39 -1.16 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.67 0.26 -1.13 0.00 2.85 -1.10 -5.05 118.16 113.31 1c6s n LYS 83 Ca 0.07 -0.70 0.00 0.00 -1.05 0.00 0.00 58.31 56.63 1c6s n LYS 83 Cb 0.03 0.01 0.00 0.00 -0.65 0.00 0.00 35.03 34.42 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 -0.49 -0.29 2.80 2.58 0.00 -1.17 -4.75 105.19 103.87 1c6s n GLY 84 Ca -0.23 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.44 0.00 -0.30 1.61 7.02 0.37 -4.68 117.44 121.02 1c6s n TRP 85 Ca 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.43 1c6s n TRP 85 Cb 0.07 -0.41 0.07 0.00 -2.42 0.00 0.00 31.31 28.62 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 8.81 1.06 0.00 6.99 0.00 -1.86 -3.44 119.26 130.83 1c6s h ALA 86 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1c6s h ALA 86 Cb 0.91 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1c6s h ALA 86 CO 1.30 0.67 0.00 0.41 0.00 0.00 0.00 179.25 181.64