#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 3.01 0.00 0.00 8.00 -1.26 -4.67 116.55 121.63 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 0.42 0.31 0.00 -0.02 0.00 0.00 41.12 41.83 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 -1.21 0.00 0.21 0.64 4.77 -1.26 -1.46 117.00 118.70 1c6s n LEU 3 Ca 0.00 0.27 0.06 0.00 -0.03 0.00 0.00 56.01 56.31 1c6s n LEU 3 Cb 0.18 -0.27 0.56 0.00 -2.33 0.00 0.00 43.42 41.56 1c6s n LEU 3 CO 0.00 -0.16 1.01 0.00 -1.33 0.00 0.00 177.39 176.91 1c6s h ALA 4 N 2.59 1.84 -0.08 -1.18 0.00 -1.96 0.59 119.26 121.07 1c6s h ALA 4 Ca 0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1c6s h ALA 4 Cb 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1c6s h ALA 4 CO 0.00 0.12 -0.64 -0.91 0.00 0.00 0.00 179.25 177.82 1c6s h ASN 5 N 0.07 0.35 0.21 0.00 2.35 -1.61 -2.79 115.58 114.16 1c6s h ASN 5 Ca 0.02 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1c6s h ASN 5 Cb 0.12 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 1c6s h ASN 5 CO 0.01 0.90 -0.49 1.23 -1.65 0.00 0.00 177.43 177.43 1c6s h GLY 6 N 1.41 -1.19 1.41 2.83 0.00 0.09 0.22 103.07 107.84 1c6s h GLY 6 Ca -0.01 0.62 0.07 0.00 0.00 0.00 0.00 47.33 48.01 1c6s h GLY 6 CO 0.10 -0.30 0.23 0.00 0.00 0.00 0.00 176.54 176.57 1c6s h ALA 7 N -0.71 1.98 -0.34 3.60 0.00 -1.42 0.14 119.26 122.51 1c6s h ALA 7 Ca -0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1c6s h ALA 7 Cb 0.73 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1c6s h ALA 7 CO -0.21 -0.35 -0.09 -0.22 0.00 0.00 0.00 179.25 178.38 1c6s h LYS 8 N 0.00 0.57 0.03 0.00 3.11 -0.32 0.93 116.57 120.88 1c6s h LYS 8 Ca 0.12 -0.16 -0.24 0.00 -2.81 0.00 0.00 60.65 57.56 1c6s h LYS 8 Cb 0.57 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.71 1c6s h LYS 8 CO -0.00 0.66 -1.30 0.28 -2.81 0.00 0.00 179.45 176.28 1c6s h VAL 9 N 0.53 0.95 0.00 2.00 2.07 0.32 -3.23 116.25 118.89 1c6s h VAL 9 Ca 0.10 -2.25 -0.04 0.00 0.82 0.00 0.00 66.70 65.34 1c6s h VAL 9 Cb 0.48 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 1c6s h VAL 9 CO 0.03 0.47 -0.17 0.15 0.02 0.00 0.00 177.57 178.07 1c6s h PHE 10 N -0.74 0.00 -0.40 1.57 3.04 -1.00 0.12 116.94 119.52 1c6s h PHE 10 Ca -0.33 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.62 1c6s h PHE 10 Cb 1.45 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.96 1c6s h PHE 10 CO 0.11 0.17 0.00 -1.13 -2.02 0.00 0.00 178.31 175.44 1c6s n SER 11 N -4.00 2.36 0.00 0.41 3.41 0.32 0.63 113.62 116.75 1c6s n SER 11 Ca -0.02 -2.06 0.00 0.00 -0.26 0.00 0.00 58.87 56.53 1c6s n SER 11 Cb 0.25 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 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 1.05 -0.28 2.15 5.00 0.00 -0.36 -4.86 105.19 107.89 1c6s n GLY 12 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 -2.64 0.25 1.61 3.02 0.28 -4.88 115.26 112.90 1c6s n ASN 13 Ca 0.00 0.66 0.12 0.00 -0.03 0.00 0.00 54.58 55.33 1c6s n ASN 13 Cb 0.34 2.57 0.67 0.00 -0.61 0.00 0.00 39.78 42.75 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 1.86 1.56 0.00 0.00 0.00 -0.05 -1.44 119.26 121.18 1c6s h ALA 15 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1c6s h ALA 15 Cb 0.40 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1c6s h ALA 15 CO 0.02 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.60 1c6s n ALA 16 N -2.48 1.11 -2.23 0.00 0.00 -0.95 -2.23 120.51 113.73 1c6s n ALA 16 Ca 0.01 0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.55 1c6s n ALA 16 Cb 0.17 -1.16 0.02 0.00 0.00 0.00 0.00 19.45 18.48 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 0.19 -2.22 -2.27 0.00 8.25 -0.74 -2.46 115.22 115.97 1c6s n HIS 18 Ca 0.04 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1c6s n HIS 18 Cb 0.94 0.62 0.00 0.00 1.12 0.00 0.00 29.99 32.67 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 -2.54 -0.78 -0.68 -0.41 0.00 -1.09 -3.36 117.12 108.26 1c6s n MET 19 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 57.70 58.45 1c6s n MET 19 Cb 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 33.22 32.62 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 2.16 1.36 3.66 3.17 0.00 -1.26 -4.10 105.19 110.18 1c6s n GLY 20 Ca 0.00 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.80 -0.45 2.82 -0.02 0.00 -1.26 -4.88 105.19 100.60 1c6s n GLY 21 Ca 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.78 0.99 0.26 -0.02 0.00 -1.21 -3.37 107.32 101.18 1c6s s GLY 22 Ca 0.49 -1.05 -0.27 0.00 0.00 0.00 0.00 44.72 43.89 1c6s s GLY 22 CO 0.61 1.22 0.69 -2.01 0.00 0.00 0.00 173.10 173.60 1c6s n ASN 23 N 4.87 -0.34 -0.62 1.64 2.85 -1.26 -4.22 115.26 118.18 1c6s n ASN 23 Ca -0.10 1.11 0.07 0.00 -0.11 0.00 0.00 54.58 55.56 1c6s n ASN 23 Cb 0.45 -1.09 0.07 0.00 1.24 0.00 0.00 39.78 40.46 1c6s n ASN 23 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1c6s n VAL 24 N -0.05 0.08 -0.01 3.44 0.31 -1.03 -4.67 118.33 116.41 1c6s n VAL 24 Ca 0.14 -0.54 -0.03 0.00 -0.01 0.00 0.00 64.34 63.90 1c6s n VAL 24 Cb 0.30 1.24 -0.01 0.00 -0.91 0.00 0.00 33.84 34.46 1c6s n VAL 24 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1c6s n VAL 25 N 0.84 0.32 -2.47 2.52 0.31 -1.26 -5.01 118.33 113.59 1c6s n VAL 25 Ca 0.09 0.01 -0.24 0.00 -0.01 0.00 0.00 64.34 64.19 1c6s n VAL 25 Cb 0.38 -1.56 0.11 0.00 -0.91 0.00 0.00 33.84 31.86 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 -2.07 1.67 -0.39 5.55 -1.94 -1.26 -5.02 119.30 115.84 1c6s s MET 26 Ca -0.04 -0.90 0.06 0.00 -1.71 0.00 0.00 55.69 53.09 1c6s s MET 26 Cb 0.02 -2.27 0.44 0.00 2.01 0.00 0.00 34.83 35.03 1c6s s MET 26 CO 0.06 -1.49 1.13 0.00 -0.01 0.00 0.00 175.02 174.71 1c6s n ALA 27 N -2.92 4.98 0.03 3.03 0.00 -1.26 -4.80 120.51 119.57 1c6s n ALA 27 Ca 0.14 -4.11 0.00 0.00 0.00 0.00 0.00 53.44 49.47 1c6s n ALA 27 Cb 0.60 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.55 -0.54 -4.54 0.00 6.94 -1.26 -5.06 115.26 110.25 1c6s n ASN 28 Ca 0.40 0.41 -0.31 0.00 -0.02 0.00 0.00 54.58 55.06 1c6s n ASN 28 Cb 0.77 0.82 -0.07 0.00 -2.36 0.00 0.00 39.78 38.93 1c6s n ASN 28 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1c6s n LYS 29 N -2.67 0.68 -1.15 -3.83 5.02 -1.26 -4.51 118.16 110.44 1c6s n LYS 29 Ca 0.00 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 1c6s n LYS 29 Cb 0.00 -3.01 0.00 0.00 -0.02 0.00 0.00 35.03 32.00 1c6s n LYS 29 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1c6s n THR 30 N 7.93 0.00 -0.04 -0.18 5.66 -1.26 -4.24 114.28 122.15 1c6s n THR 30 Ca 0.46 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.45 1c6s n THR 30 Cb 0.41 -0.45 -0.10 0.00 -1.55 0.00 0.00 70.33 68.64 1c6s n THR 30 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1c6s n LEU 31 N 0.00 0.00 0.00 1.09 7.99 -1.22 -4.14 117.00 120.72 1c6s n LEU 31 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1c6s n LEU 31 Cb 0.00 0.19 0.00 0.00 -0.11 0.00 0.00 43.42 43.50 1c6s n LEU 31 CO 0.00 0.19 0.01 0.29 -1.51 0.00 0.00 177.39 176.37 1c6s n LYS 32 N -2.28 0.00 0.00 3.23 5.02 -1.22 -4.80 118.16 118.11 1c6s n LYS 32 Ca -0.14 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1c6s n LYS 32 Cb 0.70 -0.51 0.00 0.00 -0.02 0.00 0.00 35.03 35.20 1c6s n LYS 32 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1c6s n LYS 33 N -0.02 0.00 0.12 1.97 4.81 -1.26 -4.58 118.16 119.20 1c6s n LYS 33 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1c6s n LYS 33 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 1c6s n LYS 33 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1c6s h GLU 34 N 0.00 -0.32 0.02 1.64 4.39 -1.93 -1.09 114.58 117.30 1c6s h GLU 34 Ca 0.00 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 1c6s h GLU 34 Cb 0.00 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1c6s h GLU 34 CO 0.00 0.02 -0.01 0.00 -1.16 0.00 0.00 179.01 177.86 1c6s h ALA 35 N -0.12 -0.03 -0.01 3.43 0.00 -1.91 2.20 119.26 122.82 1c6s h ALA 35 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1c6s h ALA 35 Cb 0.49 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1c6s h ALA 35 CO 0.06 -0.12 0.02 1.37 0.00 0.00 0.00 179.25 180.58 1c6s h LEU 36 N -0.83 0.00 -1.00 0.00 -0.00 -1.72 -0.28 115.31 111.47 1c6s h LEU 36 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1c6s h LEU 36 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 1c6s h LEU 36 CO 0.01 0.00 -0.10 1.21 -0.00 0.00 0.00 178.44 179.56 1c6s n GLU 37 N -3.48 1.33 -0.06 0.17 0.00 -0.41 -2.36 120.64 115.82 1c6s n GLU 37 Ca -0.03 -0.77 -0.11 0.00 0.00 0.00 0.00 57.16 56.25 1c6s n GLU 37 Cb 0.09 -1.10 -0.05 0.00 0.00 0.00 0.00 31.44 30.38 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 1.32 0.32 0.04 5.31 5.75 0.55 -3.11 115.11 125.30 1c6s h GLN 38 Ca 0.00 -0.10 -0.28 0.00 -0.15 0.00 0.00 58.65 58.13 1c6s h GLN 38 Cb 0.33 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 1c6s h GLN 38 CO 0.00 0.51 -1.47 0.27 -2.65 0.00 0.00 178.83 175.49 1c6s h PHE 39 N 0.09 0.14 0.00 3.99 -5.15 -1.78 -3.50 116.94 110.74 1c6s h PHE 39 Ca 0.06 -0.10 0.00 0.00 -0.20 0.00 0.00 57.97 57.72 1c6s h PHE 39 Cb 0.36 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 36.52 1c6s h PHE 39 CO 0.03 1.14 0.00 0.41 -2.00 0.00 0.00 178.31 177.89 1c6s n GLY 40 N 1.55 2.52 0.00 6.09 0.00 -1.18 -5.10 105.19 109.08 1c6s n GLY 40 Ca -0.13 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.01 1.61 0.00 -1.00 -4.94 117.12 111.79 1c6s n MET 41 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 57.70 57.54 1c6s n MET 41 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 33.22 33.40 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 2.51 -4.12 3.17 9.36 -1.13 -3.67 117.16 123.28 1c6s n TYR 42 Ca 0.00 -1.50 -0.24 0.00 3.32 0.00 0.00 57.90 59.48 1c6s n TYR 42 Cb 0.00 -0.79 -0.05 0.00 -0.63 0.00 0.00 39.34 37.87 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 -0.92 5.38 0.09 2.98 1.04 -1.26 -4.90 113.70 116.12 1c6s s SER 43 Ca 0.49 -0.25 -0.23 0.00 0.48 0.00 0.00 55.95 56.43 1c6s s SER 43 Cb 0.40 -1.34 -0.08 0.00 0.10 0.00 0.00 66.02 65.10 1c6s s SER 43 CO 0.10 0.02 1.39 -0.33 0.98 0.00 0.00 173.24 175.40 1c6s h GLU 44 N 1.98 -0.28 -0.47 4.02 5.08 -1.91 0.40 114.58 123.39 1c6s h GLU 44 Ca -0.48 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.04 1c6s h GLU 44 Cb 1.22 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1c6s h GLU 44 CO 0.61 -0.19 0.37 0.22 -1.00 0.00 0.00 179.01 179.02 1c6s h ASP 45 N -0.29 0.00 0.00 1.42 1.82 -1.96 0.25 116.42 117.65 1c6s h ASP 45 Ca 0.05 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1c6s h ASP 45 Cb 0.43 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.44 1c6s h ASP 45 CO -0.42 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.21 1c6s n ALA 46 N -2.55 -0.12 0.33 -0.78 0.00 0.13 -2.43 120.51 115.09 1c6s n ALA 46 Ca 0.08 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.74 1c6s n ALA 46 Cb 0.57 0.00 1.17 0.00 0.00 0.00 0.00 19.45 21.19 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 0.10 -0.40 0.00 2.10 -1.32 -0.19 117.51 117.80 1c6s h ILE 47 Ca 0.00 -0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.88 1c6s h ILE 47 Cb 0.00 1.00 -0.02 0.00 -1.09 0.00 0.00 36.82 36.71 1c6s h ILE 47 CO 0.00 0.00 0.00 0.40 -1.08 0.00 0.00 178.15 177.47 1c6s h ILE 48 N 0.00 1.22 0.00 2.19 2.04 -0.52 0.49 117.51 122.93 1c6s h ILE 48 Ca -0.00 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1c6s h ILE 48 Cb 0.00 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1c6s h ILE 48 CO 0.00 0.30 -0.64 0.22 0.00 0.00 0.00 178.15 178.03 1c6s h TYR 49 N 0.60 0.00 -0.01 1.37 5.03 -0.71 -2.07 116.97 121.18 1c6s h TYR 49 Ca 0.12 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.43 1c6s h TYR 49 Cb 0.38 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.66 1c6s h TYR 49 CO 0.02 0.00 -0.07 0.94 -1.32 0.00 0.00 178.16 177.72 1c6s n GLN 50 N -2.56 1.46 -0.07 1.82 -0.06 -0.55 -3.76 117.38 113.67 1c6s n GLN 50 Ca 0.02 -0.87 -0.09 0.00 -2.00 0.00 0.00 57.00 54.07 1c6s n GLN 50 Cb 0.51 -1.48 -0.06 0.00 -4.06 0.00 0.00 30.24 25.14 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 -0.01 0.76 0.86 1.69 0.31 0.16 -2.19 118.33 119.91 1c6s n VAL 51 Ca 0.17 -0.31 0.09 0.00 -0.01 0.00 0.00 64.34 64.28 1c6s n VAL 51 Cb 0.36 -0.95 0.45 0.00 -0.91 0.00 0.00 33.84 32.79 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 -2.84 0.28 -0.79 5.55 7.27 -0.79 0.13 117.38 126.20 1c6s n GLN 52 Ca -0.23 0.11 -0.04 0.00 0.07 0.00 0.00 57.00 56.90 1c6s n GLN 52 Cb 0.76 -1.50 -0.04 0.00 2.41 0.00 0.00 30.24 31.87 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 -1.26 0.00 -0.37 3.69 1.44 -1.25 -2.86 115.22 114.62 1c6s n HIS 53 Ca 0.09 -0.30 0.00 0.00 -2.01 0.00 0.00 57.72 55.49 1c6s n HIS 53 Cb 0.13 0.40 0.00 0.00 0.12 0.00 0.00 29.99 30.64 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 0.00 2.41 0.00 -1.39 0.00 -0.93 -4.23 105.19 101.04 1c6s n GLY 54 Ca -0.17 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.07 -4.11 118.16 133.61 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 -0.05 4.39 3.02 -1.26 -2.15 115.26 119.21 1c6s n ASN 56 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.56 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 1.16 1.71 -2.62 5.41 0.00 -1.26 -5.04 120.51 119.86 1c6s n ALA 57 Ca 0.00 -1.03 -0.38 0.00 0.00 0.00 0.00 53.44 52.03 1c6s n ALA 57 Cb 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 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 -0.82 3.83 -0.22 0.00 0.00 -0.91 -5.04 119.30 116.15 1c6s s MET 58 Ca 0.04 0.25 -0.29 0.00 0.00 0.00 0.00 55.69 55.69 1c6s s MET 58 Cb 0.03 -3.23 -0.01 0.00 0.00 0.00 0.00 34.83 31.62 1c6s s MET 58 CO 0.00 0.67 1.37 -1.25 0.00 0.00 0.00 175.02 175.81 1c6s s PRO 59 N -0.91 4.03 1.00 4.11 0.04 -1.26 -2.61 135.00 139.41 1c6s s PRO 59 Ca 0.21 1.55 -0.23 0.00 0.04 0.00 0.00 61.00 62.57 1c6s s PRO 59 Cb -0.15 -3.88 -0.17 0.00 0.04 0.00 0.00 34.50 30.34 1c6s s PRO 59 CO 0.10 -0.98 -1.20 0.00 0.04 0.00 0.00 177.00 174.96 1c6s n ALA 60 N 7.37 -5.65 -1.71 8.56 0.00 -1.26 -4.08 120.51 123.74 1c6s n ALA 60 Ca 0.15 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1c6s n ALA 60 Cb 0.45 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 -3.07 0.00 0.26 0.00 3.72 0.35 -4.69 117.46 114.03 1c6s n PHE 61 Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 1c6s n PHE 61 Cb 0.67 0.05 0.63 0.00 -0.94 0.00 0.00 39.48 39.89 1c6s n PHE 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1c6s h ALA 62 N 0.00 1.26 0.00 4.37 0.00 -1.63 -2.85 119.26 120.41 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 1.15 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.83 1c6s h ALA 62 CO 0.00 -0.26 -0.23 0.41 0.00 0.00 0.00 179.25 179.17 1c6s n GLY 63 N -1.25 0.42 0.13 0.00 0.00 -1.26 -4.90 105.19 98.34 1c6s n GLY 63 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 0.65 0.00 1.61 0.00 -1.07 -4.91 116.66 112.93 1c6s n ARG 64 Ca -0.23 0.18 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 1c6s n ARG 64 Cb 0.63 -1.54 0.00 0.00 0.00 0.00 0.00 32.46 31.55 1c6s n ARG 64 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1c6s n LEU 65 N -3.44 0.00 -0.10 6.15 4.77 -1.24 -5.04 117.00 118.10 1c6s n LEU 65 Ca -0.46 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.39 1c6s n LEU 65 Cb 0.98 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.02 1c6s n LEU 65 CO 0.24 0.00 -0.82 0.41 -1.33 0.00 0.00 177.39 175.90 1c6s n THR 66 N 0.00 1.50 0.00 -5.08 -1.04 -1.26 -5.04 114.28 103.36 1c6s n THR 66 Ca 0.00 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1c6s n THR 66 Cb 0.00 -2.24 0.00 0.00 -1.82 0.00 0.00 70.33 66.27 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 -4.43 0.00 0.00 8.00 2.03 -1.26 -4.88 116.55 116.01 1c6s n ASP 67 Ca -0.23 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.14 1c6s n ASP 67 Cb 0.58 0.00 0.38 0.00 -0.72 0.00 0.00 41.12 41.37 1c6s n ASP 67 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1c6s n GLU 68 N 0.00 0.54 -0.02 -0.67 1.02 -1.26 -1.78 120.64 118.47 1c6s n GLU 68 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1c6s n GLU 68 Cb 0.00 -1.37 -0.05 0.00 -0.02 0.00 0.00 31.44 30.00 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 -0.87 2.33 0.31 3.49 1.13 -1.26 -1.06 117.38 121.44 1c6s n GLN 69 Ca 0.10 -0.02 0.19 0.00 -1.94 0.00 0.00 57.00 55.33 1c6s n GLN 69 Cb 0.04 -1.15 1.04 0.00 0.11 0.00 0.00 30.24 30.29 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 0.23 0.00 5.09 1.08 -1.66 0.57 117.51 122.82 1c6s h ILE 70 Ca -0.11 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1c6s h ILE 70 Cb 1.07 0.94 0.00 0.00 -3.07 0.00 0.00 36.82 35.77 1c6s h ILE 70 CO 0.01 0.00 -0.37 0.00 -0.69 0.00 0.00 178.15 177.10 1c6s n GLN 71 N -3.40 0.22 -0.36 2.37 6.02 -1.15 -4.28 117.38 116.80 1c6s n GLN 71 Ca -0.02 0.16 0.09 0.00 -0.01 0.00 0.00 57.00 57.21 1c6s n GLN 71 Cb 0.14 -0.96 0.26 0.00 1.02 0.00 0.00 30.24 30.70 1c6s n GLN 71 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1c6s h ASP 72 N -0.42 0.89 0.06 1.08 1.82 -1.00 0.12 116.42 118.98 1c6s h ASP 72 Ca 0.00 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.69 1c6s h ASP 72 Cb 0.37 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 40.26 1c6s h ASP 72 CO 0.00 0.44 -0.03 1.62 -1.61 0.00 0.00 179.24 179.66 1c6s h VAL 73 N 0.94 0.69 0.00 2.25 3.04 -0.06 1.52 116.25 124.63 1c6s h VAL 73 Ca 0.52 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 66.08 1c6s h VAL 73 Cb 0.59 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1c6s h VAL 73 CO -0.29 0.03 -0.03 0.00 -1.01 0.00 0.00 177.57 176.27 1c6s h ALA 74 N 1.97 0.00 -0.41 3.17 0.00 -0.91 -2.47 119.26 120.61 1c6s h ALA 74 Ca -0.00 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.99 1c6s h ALA 74 Cb 0.07 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1c6s h ALA 74 CO 0.00 0.03 0.55 0.00 0.00 0.00 0.00 179.25 179.84 1c6s h ALA 75 N -1.35 2.09 -0.17 0.00 0.00 -1.22 0.28 119.26 118.89 1c6s h ALA 75 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1c6s h ALA 75 Cb 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1c6s h ALA 75 CO 0.00 -0.77 0.06 -0.92 0.00 0.00 0.00 179.25 177.62 1c6s h TYR 76 N 0.00 0.28 0.00 0.00 3.20 0.22 -1.88 116.97 118.79 1c6s h TYR 76 Ca 0.20 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1c6s h TYR 76 Cb 1.30 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.49 1c6s h TYR 76 CO 0.00 0.37 -0.12 -0.24 -1.64 0.00 0.00 178.16 176.53 1c6s h VAL 77 N 0.11 0.42 0.00 1.81 3.04 0.03 0.04 116.25 121.68 1c6s h VAL 77 Ca 0.06 -0.66 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 1c6s h VAL 77 Cb 0.22 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 1c6s h VAL 77 CO -0.00 0.12 0.00 0.18 -1.01 0.00 0.00 177.57 176.86 1c6s n LEU 78 N -3.42 0.27 -0.11 3.16 4.77 -0.77 -2.16 117.00 118.74 1c6s n LEU 78 Ca -0.01 0.53 -0.14 0.00 -0.03 0.00 0.00 56.01 56.36 1c6s n LEU 78 Cb 0.29 -0.45 -0.14 0.00 -2.33 0.00 0.00 43.42 40.80 1c6s n LEU 78 CO 0.30 -0.09 -1.24 -0.67 -1.33 0.00 0.00 177.39 174.36 1c6s n ASP 79 N -1.76 1.09 0.03 -1.43 2.03 -0.15 -3.73 116.55 112.64 1c6s n ASP 79 Ca 0.06 -0.07 -0.19 0.00 0.52 0.00 0.00 54.79 55.11 1c6s n ASP 79 Cb 0.35 0.29 -0.12 0.00 -0.72 0.00 0.00 41.12 40.92 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 0.41 0.00 -0.67 1.08 -1.18 -3.24 115.11 111.51 1c6s h GLN 80 Ca -0.55 -0.52 -0.04 0.00 -1.45 0.00 0.00 58.65 56.09 1c6s h GLN 80 Cb 2.04 0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 29.63 1c6s h GLN 80 CO -0.03 1.19 -0.19 0.00 -0.95 0.00 0.00 178.83 178.84 1c6s h ALA 81 N 0.25 0.92 -0.03 3.87 0.00 -1.67 1.45 119.26 124.05 1c6s h ALA 81 Ca -0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1c6s h ALA 81 Cb 1.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1c6s h ALA 81 CO 0.15 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1c6s n ALA 82 N -2.17 2.59 -2.54 0.00 0.00 -1.23 -4.27 120.51 112.90 1c6s n ALA 82 Ca 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 1c6s n ALA 82 Cb 0.52 -1.26 0.06 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.59 0.61 -0.20 0.00 2.85 -1.11 -5.03 118.16 114.69 1c6s n LYS 83 Ca 0.14 -0.56 0.00 0.00 -1.05 0.00 0.00 58.31 56.84 1c6s n LYS 83 Cb 0.11 0.22 0.00 0.00 -0.65 0.00 0.00 35.03 34.71 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 -0.70 0.60 3.19 2.58 0.00 -0.81 -4.85 105.19 105.21 1c6s n GLY 84 Ca -0.09 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.10 0.02 -1.74 1.61 7.02 0.49 -1.41 117.44 123.31 1c6s n TRP 85 Ca 0.00 -0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.41 1c6s n TRP 85 Cb 0.04 -0.53 -0.02 0.00 -2.42 0.00 0.00 31.31 28.38 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 5.10 -0.44 0.00 6.99 0.00 -1.26 -4.76 120.51 126.15 1c6s n ALA 86 Ca 0.26 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1c6s n ALA 86 Cb 0.37 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1c6s n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91