#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 0.08 0.00 0.71 0.00 0.00 54.79 55.58 1c6s n ASP 2 Cb 0.00 -0.85 0.48 0.00 -0.02 0.00 0.00 41.12 40.73 1c6s n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c6s n LEU 3 N 0.00 0.00 0.19 0.64 -0.00 -1.26 -2.30 117.00 114.27 1c6s n LEU 3 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.04 1c6s n LEU 3 Cb 0.00 0.00 0.40 0.00 -0.00 0.00 0.00 43.42 43.82 1c6s n LEU 3 CO 0.00 0.00 0.78 0.00 -0.00 0.00 0.00 177.39 178.17 1c6s h ALA 4 N 3.07 1.48 0.00 1.47 0.00 -1.87 0.22 119.26 123.63 1c6s h ALA 4 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1c6s h ALA 4 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1c6s h ALA 4 CO 0.00 0.39 -0.08 -0.97 0.00 0.00 0.00 179.25 178.59 1c6s h ASN 5 N 0.01 0.00 0.10 0.00 -0.00 -1.81 -2.19 115.58 111.69 1c6s h ASN 5 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1c6s h ASN 5 Cb 0.55 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.86 1c6s h ASN 5 CO 0.04 0.08 -0.06 1.23 -0.00 0.00 0.00 177.43 178.72 1c6s h GLY 6 N 0.49 -0.16 -0.24 1.57 0.00 -0.73 -0.76 103.07 103.25 1c6s h GLY 6 Ca -0.00 0.07 0.23 0.00 0.00 0.00 0.00 47.33 47.63 1c6s h GLY 6 CO 0.01 -0.07 0.90 0.00 0.00 0.00 0.00 176.54 177.38 1c6s h ALA 7 N 0.74 2.62 -0.01 3.60 0.00 -1.42 1.96 119.26 126.75 1c6s h ALA 7 Ca -0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1c6s h ALA 7 Cb 0.14 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1c6s h ALA 7 CO 0.00 -1.30 -0.21 -0.22 0.00 0.00 0.00 179.25 177.52 1c6s h LYS 8 N 0.00 0.16 0.33 0.00 3.11 -1.24 0.15 116.57 119.08 1c6s h LYS 8 Ca 0.37 -0.16 -0.01 0.00 -2.81 0.00 0.00 60.65 58.05 1c6s h LYS 8 Cb 2.16 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 33.42 1c6s h LYS 8 CO -0.00 0.87 -0.30 0.28 -2.81 0.00 0.00 179.45 177.49 1c6s h VAL 9 N -0.49 0.00 -0.20 2.00 2.07 0.32 -0.87 116.25 119.09 1c6s h VAL 9 Ca -0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1c6s h VAL 9 Cb 0.93 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1c6s h VAL 9 CO 0.04 0.00 0.13 0.15 0.02 0.00 0.00 177.57 177.91 1c6s h PHE 10 N -0.62 0.23 -0.26 1.57 3.04 -0.90 0.37 116.94 120.37 1c6s h PHE 10 Ca -0.04 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.91 1c6s h PHE 10 Cb 0.53 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.96 1c6s h PHE 10 CO -0.15 0.14 0.00 -1.13 -2.02 0.00 0.00 178.31 175.15 1c6s n SER 11 N -4.51 2.87 0.00 0.41 3.41 0.51 -0.53 113.62 115.79 1c6s n SER 11 Ca 0.00 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.26 1c6s n SER 11 Cb 0.09 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 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 0.37 0.68 1.99 5.00 0.00 -0.14 -4.94 105.19 108.15 1c6s n GLY 12 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.04 1.61 3.02 0.11 -4.91 115.26 115.13 1c6s n ASN 13 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.47 1c6s n ASN 13 Cb 0.34 0.38 0.07 0.00 -0.61 0.00 0.00 39.78 39.96 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 1.02 1.54 -0.16 0.00 0.00 -1.06 0.14 119.26 120.74 1c6s h ALA 15 Ca -0.01 0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1c6s h ALA 15 Cb 1.15 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1c6s h ALA 15 CO 0.11 -0.51 -0.03 0.00 0.00 0.00 0.00 179.25 178.81 1c6s h ALA 16 N 1.82 0.12 -0.70 0.00 0.00 -1.83 0.46 119.26 119.13 1c6s h ALA 16 Ca 0.63 0.06 -0.30 0.00 0.00 0.00 0.00 54.91 55.30 1c6s h ALA 16 Cb 1.34 0.11 -0.18 0.00 0.00 0.00 0.00 17.79 19.07 1c6s h ALA 16 CO -0.65 -0.47 0.30 0.00 0.00 0.00 0.00 179.25 178.43 1c6s n HIS 18 N -0.77 -2.98 -2.17 0.00 8.25 0.33 -2.59 115.22 115.29 1c6s n HIS 18 Ca 0.44 0.36 0.00 0.00 -0.26 0.00 0.00 57.72 58.26 1c6s n HIS 18 Cb 1.37 1.28 0.00 0.00 1.12 0.00 0.00 29.99 33.75 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 -2.71 -4.37 -4.04 -0.41 1.56 0.12 -0.78 117.12 106.50 1c6s n MET 19 Ca 0.00 3.12 -0.44 0.00 -0.27 0.00 0.00 57.70 60.12 1c6s n MET 19 Cb 0.00 -3.78 0.02 0.00 2.15 0.00 0.00 33.22 31.61 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 1.89 -0.92 3.37 -5.12 0.00 -1.26 -2.20 105.19 100.95 1c6s n GLY 20 Ca 0.00 0.38 -0.32 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.03 -0.21 2.90 -0.02 0.00 -1.26 -4.82 105.19 99.75 1c6s n GLY 21 Ca -0.15 1.17 -0.02 0.00 0.00 0.00 0.00 46.02 47.02 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 -1.78 -1.29 1.00 -0.02 0.00 0.04 -4.05 107.32 101.22 1c6s s GLY 22 Ca 0.34 -0.15 -0.18 0.00 0.00 0.00 0.00 44.72 44.73 1c6s s GLY 22 CO 0.85 3.70 -0.82 -2.01 0.00 0.00 0.00 173.10 174.82 1c6s n ASN 23 N 3.41 -5.68 -0.03 1.64 2.85 -1.25 -3.09 115.26 113.11 1c6s n ASN 23 Ca 0.15 0.17 -0.05 0.00 -0.11 0.00 0.00 54.58 54.75 1c6s n ASN 23 Cb 0.57 -0.76 -0.02 0.00 1.24 0.00 0.00 39.78 40.81 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 -2.62 0.28 -0.07 3.44 3.14 -1.07 -4.63 118.33 116.80 1c6s n VAL 24 Ca -0.02 -0.08 -0.18 0.00 -2.96 0.00 0.00 64.34 61.10 1c6s n VAL 24 Cb 0.57 -1.30 -0.13 0.00 -1.06 0.00 0.00 33.84 31.92 1c6s n VAL 24 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1c6s n VAL 25 N -3.06 1.60 -3.38 1.55 3.14 -1.26 -4.83 118.33 112.09 1c6s n VAL 25 Ca -0.10 -0.64 -0.41 0.00 -2.96 0.00 0.00 64.34 60.24 1c6s n VAL 25 Cb 0.58 -1.43 -0.09 0.00 -1.06 0.00 0.00 33.84 31.84 1c6s n VAL 25 CO 0.00 0.00 0.00 -0.04 -6.46 0.00 0.00 176.83 170.33 1c6s s MET 26 N -2.54 3.64 -1.26 1.45 -1.94 -1.26 -4.98 119.30 112.41 1c6s s MET 26 Ca -0.26 -0.32 -0.10 0.00 -1.71 0.00 0.00 55.69 53.30 1c6s s MET 26 Cb 0.08 -3.78 0.18 0.00 2.01 0.00 0.00 34.83 33.31 1c6s s MET 26 CO 0.70 -0.50 1.77 0.00 -0.01 0.00 0.00 175.02 176.98 1c6s n ALA 27 N 5.42 5.10 0.00 3.03 0.00 -1.26 -3.90 120.51 128.89 1c6s n ALA 27 Ca -0.09 -4.34 0.00 0.00 0.00 0.00 0.00 53.44 49.02 1c6s n ALA 27 Cb 0.50 -2.95 0.00 0.00 0.00 0.00 0.00 19.45 16.99 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 4.00 0.00 -3.59 0.00 0.23 -1.26 -5.00 115.26 109.63 1c6s n ASN 28 Ca 0.38 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 54.03 1c6s n ASN 28 Cb 0.37 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 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 0.00 4.74 -2.27 -3.83 5.02 -1.25 -4.51 118.16 116.05 1c6s n LYS 29 Ca 0.00 -3.87 -0.27 0.00 -2.02 0.00 0.00 58.31 52.15 1c6s n LYS 29 Cb 0.00 -2.61 0.04 0.00 -0.02 0.00 0.00 35.03 32.45 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 -1.99 3.25 -0.81 -0.18 2.01 -1.26 -4.64 115.64 112.02 1c6s s THR 30 Ca 0.47 -0.01 0.23 0.00 0.31 0.00 0.00 61.69 62.69 1c6s s THR 30 Cb 0.17 -3.33 -0.11 0.00 0.01 0.00 0.00 72.50 69.24 1c6s s THR 30 CO -0.08 -0.36 1.11 0.18 -0.69 0.00 0.00 174.62 174.78 1c6s n LEU 31 N -2.74 0.66 0.00 4.42 4.77 -1.26 -3.32 117.00 119.54 1c6s n LEU 31 Ca 0.06 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1c6s n LEU 31 Cb 0.58 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1c6s n LEU 31 CO 0.53 0.11 0.10 0.29 -1.33 0.00 0.00 177.39 177.10 1c6s n LYS 32 N -1.72 0.00 0.00 3.23 5.02 -1.26 -4.65 118.16 118.78 1c6s n LYS 32 Ca 0.03 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1c6s n LYS 32 Cb 0.38 -0.63 0.00 0.00 -0.02 0.00 0.00 35.03 34.76 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 -0.42 0.00 -0.05 1.97 2.85 -1.26 -4.24 118.16 117.01 1c6s n LYS 33 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 1c6s n LYS 33 Cb 0.00 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.31 1c6s n LYS 33 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1c6s h GLU 34 N 0.00 0.26 -0.26 -1.58 5.08 -1.91 -2.13 114.58 114.05 1c6s h GLU 34 Ca 0.00 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1c6s h GLU 34 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1c6s h GLU 34 CO 0.00 0.54 0.02 0.00 -1.00 0.00 0.00 179.01 178.57 1c6s h ALA 35 N 0.71 0.35 -0.52 3.43 0.00 -1.79 0.51 119.26 121.94 1c6s h ALA 35 Ca 0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1c6s h ALA 35 Cb 0.45 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1c6s h ALA 35 CO 0.01 0.06 0.19 1.37 0.00 0.00 0.00 179.25 180.88 1c6s h LEU 36 N 0.23 0.69 -1.48 0.00 -0.00 -1.59 -0.92 115.31 112.24 1c6s h LEU 36 Ca 0.08 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1c6s h LEU 36 Cb 0.38 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.87 1c6s h LEU 36 CO 0.01 0.64 0.00 -0.62 -0.00 0.00 0.00 178.44 178.47 1c6s n GLU 37 N -4.33 1.96 -0.09 0.17 1.02 -0.80 -1.25 120.64 117.32 1c6s n GLU 37 Ca 0.04 -1.46 -0.13 0.00 -0.02 0.00 0.00 57.16 55.60 1c6s n GLU 37 Cb 0.17 -1.41 -0.06 0.00 -0.02 0.00 0.00 31.44 30.13 1c6s n GLU 37 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1c6s n GLN 38 N 0.68 0.50 -0.10 3.49 -0.06 0.16 -4.67 117.38 117.38 1c6s n GLN 38 Ca 0.16 0.53 -0.20 0.00 -2.00 0.00 0.00 57.00 55.50 1c6s n GLN 38 Cb 0.40 -1.71 -0.11 0.00 -4.06 0.00 0.00 30.24 24.76 1c6s n GLN 38 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 1c6s h PHE 39 N -1.00 0.00 0.00 3.69 -5.15 -1.62 -3.49 116.94 109.36 1c6s h PHE 39 Ca -0.16 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.61 1c6s h PHE 39 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.05 1c6s h PHE 39 CO -0.09 1.33 0.00 0.41 -2.00 0.00 0.00 178.31 177.96 1c6s n GLY 40 N 1.47 0.00 0.11 6.09 0.00 -0.98 -5.03 105.19 106.85 1c6s n GLY 40 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1c6s n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c6s h MET 41 N 0.00 0.00 -0.63 1.61 -0.00 -1.45 -3.33 114.93 111.13 1c6s h MET 41 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 59.70 59.88 1c6s h MET 41 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.57 1c6s h MET 41 CO 0.00 0.41 1.05 -0.92 -0.00 0.00 0.00 176.91 177.44 1c6s h TYR 42 N 0.00 0.00 -3.44 -0.10 5.03 -1.82 -3.20 116.97 113.44 1c6s h TYR 42 Ca -0.10 0.00 -0.54 0.00 2.58 0.00 0.00 58.73 60.67 1c6s h TYR 42 Cb 1.54 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 39.78 1c6s h TYR 42 CO 0.00 0.00 0.17 -1.54 -1.32 0.00 0.00 178.16 175.47 1c6s s SER 43 N -3.53 7.24 0.16 -2.11 1.04 -1.25 -4.77 113.70 110.47 1c6s s SER 43 Ca -0.02 1.48 -0.24 0.00 0.48 0.00 0.00 55.95 57.64 1c6s s SER 43 Cb 0.10 -2.48 0.03 0.00 0.10 0.00 0.00 66.02 63.77 1c6s s SER 43 CO 0.33 0.02 1.60 -0.33 0.98 0.00 0.00 173.24 175.84 1c6s h GLU 44 N 5.60 -0.29 -0.84 4.02 5.08 -1.89 0.25 114.58 126.51 1c6s h GLU 44 Ca -0.44 0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1c6s h GLU 44 Cb 1.21 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.47 1c6s h GLU 44 CO 0.71 -0.20 0.58 0.22 -1.00 0.00 0.00 179.01 179.32 1c6s h ASP 45 N -0.31 0.24 0.02 1.42 3.58 -1.93 0.54 116.42 119.99 1c6s h ASP 45 Ca 0.15 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 1c6s h ASP 45 Cb 0.55 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1c6s h ASP 45 CO -0.49 0.10 -0.01 0.00 -2.88 0.00 0.00 179.24 175.96 1c6s h ALA 46 N 1.61 -0.62 0.00 -0.78 0.00 -0.75 -2.75 119.26 115.97 1c6s h ALA 46 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1c6s h ALA 46 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1c6s h ALA 46 CO -0.10 -0.62 0.00 0.97 0.00 0.00 0.00 179.25 179.50 1c6s h ILE 47 N -0.04 0.00 0.00 0.00 2.10 -1.34 -0.08 117.51 118.15 1c6s h ILE 47 Ca -0.00 -0.32 -0.05 0.00 1.08 0.00 0.00 64.86 65.57 1c6s h ILE 47 Cb 0.02 1.27 -0.01 0.00 -1.09 0.00 0.00 36.82 37.02 1c6s h ILE 47 CO 0.00 0.00 -0.23 0.40 -1.08 0.00 0.00 178.15 177.25 1c6s h ILE 48 N 0.00 0.73 0.00 2.19 2.04 0.04 -1.56 117.51 120.95 1c6s h ILE 48 Ca 0.00 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1c6s h ILE 48 Cb 0.33 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1c6s h ILE 48 CO 0.00 0.22 -0.05 0.22 0.00 0.00 0.00 178.15 178.55 1c6s h TYR 49 N 0.00 0.00 -0.90 1.37 3.20 -0.70 -1.79 116.97 118.15 1c6s h TYR 49 Ca -0.00 0.00 0.26 0.00 3.14 0.00 0.00 58.73 62.13 1c6s h TYR 49 Cb 0.58 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 1c6s h TYR 49 CO 0.00 0.00 0.99 -0.56 -1.64 0.00 0.00 178.16 176.95 1c6s h GLN 50 N -0.13 0.00 0.10 1.82 -0.00 -1.55 1.38 115.11 116.72 1c6s h GLN 50 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.52 1c6s h GLN 50 Cb 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 27.54 1c6s h GLN 50 CO 0.00 0.00 -0.59 0.28 -0.00 0.00 0.00 178.83 178.52 1c6s h VAL 51 N 0.00 1.58 0.00 1.86 2.07 -1.40 1.23 116.25 121.59 1c6s h VAL 51 Ca 0.43 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.48 1c6s h VAL 51 Cb 2.40 3.24 0.00 0.00 -1.52 0.00 0.00 31.29 35.41 1c6s h VAL 51 CO -0.00 0.68 0.00 0.00 0.02 0.00 0.00 177.57 178.26 1c6s n GLN 52 N -4.27 0.12 -0.50 1.57 6.02 0.46 0.71 117.38 121.48 1c6s n GLN 52 Ca -0.13 0.47 -0.00 0.00 -0.01 0.00 0.00 57.00 57.33 1c6s n GLN 52 Cb 0.72 -1.78 -0.00 0.00 1.02 0.00 0.00 30.24 30.20 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 -2.01 0.00 -4.10 1.08 8.25 -0.22 -0.67 115.22 117.54 1c6s n HIS 53 Ca 0.01 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1c6s n HIS 53 Cb 0.13 0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.41 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 0.00 2.61 0.00 -1.41 0.00 0.42 -3.92 105.19 102.89 1c6s n GLY 54 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 13.27 0.00 0.00 1.61 4.01 -1.16 -4.05 118.16 131.85 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 -2.46 4.39 3.02 -1.26 -1.28 115.26 117.67 1c6s n ASN 56 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.40 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 5.29 4.02 -2.41 5.41 0.00 -1.26 -5.06 120.51 126.49 1c6s n ALA 57 Ca 0.00 -3.46 -0.30 0.00 0.00 0.00 0.00 53.44 49.68 1c6s n ALA 57 Cb 0.00 -0.63 -0.13 0.00 0.00 0.00 0.00 19.45 18.69 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 1.87 -0.68 0.00 0.00 -0.40 -5.01 119.30 111.49 1c6s s MET 58 Ca 0.39 -1.09 -0.26 0.00 0.00 0.00 0.00 55.69 54.73 1c6s s MET 58 Cb 0.39 -2.07 0.04 0.00 0.00 0.00 0.00 34.83 33.18 1c6s s MET 58 CO -0.03 0.51 1.19 -1.25 0.00 0.00 0.00 175.02 175.44 1c6s s PRO 59 N -1.52 3.25 0.75 4.11 0.04 -1.26 -2.98 135.00 137.40 1c6s s PRO 59 Ca 0.14 -0.25 -0.16 0.00 0.04 0.00 0.00 61.00 60.77 1c6s s PRO 59 Cb -0.10 -4.15 -0.14 0.00 0.04 0.00 0.00 34.50 30.15 1c6s s PRO 59 CO 0.05 -1.95 -0.51 0.00 0.04 0.00 0.00 177.00 174.62 1c6s n ALA 60 N 8.78 -4.42 -0.85 8.56 0.00 -1.25 -4.01 120.51 127.32 1c6s n ALA 60 Ca 0.03 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1c6s n ALA 60 Cb 0.48 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.97 0.00 -0.18 0.00 3.72 0.22 -4.63 117.46 114.62 1c6s n PHE 61 Ca 0.02 -0.03 0.28 0.00 -0.05 0.00 0.00 57.45 57.67 1c6s n PHE 61 Cb 0.49 -0.00 0.55 0.00 -0.94 0.00 0.00 39.48 39.57 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 2.84 0.00 4.37 0.00 -1.07 -2.78 119.26 122.62 1c6s h ALA 62 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1c6s h ALA 62 Cb 0.61 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 1c6s h ALA 62 CO 0.00 -1.54 -0.24 0.41 0.00 0.00 0.00 179.25 177.88 1c6s n GLY 63 N -1.68 0.82 0.20 0.00 0.00 -1.26 -4.93 105.19 98.33 1c6s n GLY 63 Ca 0.21 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.49 0.54 0.00 1.61 0.63 -1.05 -4.99 116.66 112.91 1c6s n ARG 64 Ca -0.21 0.20 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1c6s n ARG 64 Cb 0.71 -1.40 0.00 0.00 0.45 0.00 0.00 32.46 32.21 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 -3.78 0.00 -4.99 6.15 4.77 -1.25 -5.09 117.00 112.80 1c6s n LEU 65 Ca -0.46 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.33 1c6s n LEU 65 Cb 0.87 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.97 1c6s n LEU 65 CO 0.10 0.00 0.15 -0.89 -1.33 0.00 0.00 177.39 175.42 1c6s s THR 66 N 3.69 3.52 -0.16 -5.08 2.01 -1.26 -5.01 115.64 113.35 1c6s s THR 66 Ca 0.00 -0.90 -0.27 0.00 0.31 0.00 0.00 61.69 60.83 1c6s s THR 66 Cb 0.00 -3.22 -0.24 0.00 0.01 0.00 0.00 72.50 69.05 1c6s s THR 66 CO 0.00 -0.10 0.62 0.44 -0.69 0.00 0.00 174.62 174.89 1c6s h ASP 67 N 0.65 0.01 0.16 3.53 3.32 -1.91 -2.67 116.42 119.51 1c6s h ASP 67 Ca -0.43 -0.87 0.00 0.00 0.02 0.00 0.00 57.03 55.75 1c6s h ASP 67 Cb 1.27 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1c6s h ASP 67 CO 0.50 1.14 0.00 1.21 -1.72 0.00 0.00 179.24 180.37 1c6s n GLU 68 N -4.55 0.07 -0.07 3.56 2.13 -1.26 -1.49 120.64 119.02 1c6s n GLU 68 Ca -0.16 0.26 -0.15 0.00 0.66 0.00 0.00 57.16 57.77 1c6s n GLU 68 Cb 0.54 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.61 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 -1.34 0.68 0.04 5.31 3.00 -1.22 -0.98 117.38 122.88 1c6s n GLN 69 Ca 0.03 0.16 0.10 0.00 -0.01 0.00 0.00 57.00 57.28 1c6s n GLN 69 Cb 0.06 -1.61 0.41 0.00 0.00 0.00 0.00 30.24 29.10 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 -3.15 0.78 -0.02 5.09 2.08 -0.56 -0.36 119.36 123.21 1c6s n ILE 70 Ca -0.34 0.17 -0.02 0.00 0.56 0.00 0.00 62.75 63.11 1c6s n ILE 70 Cb 1.06 -0.94 -0.01 0.00 -0.75 0.00 0.00 39.64 39.00 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 -1.74 0.15 -0.30 0.38 1.13 -0.90 -3.76 117.38 112.35 1c6s n GLN 71 Ca 0.04 0.17 0.12 0.00 -1.94 0.00 0.00 57.00 55.39 1c6s n GLN 71 Cb 0.23 -0.88 0.36 0.00 0.11 0.00 0.00 30.24 30.06 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 -0.30 0.69 0.44 1.08 3.32 -1.11 0.20 116.42 120.74 1c6s h ASP 72 Ca 0.00 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 1c6s h ASP 72 Cb 0.24 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1c6s h ASP 72 CO 0.00 0.33 -0.36 1.62 -1.72 0.00 0.00 179.24 179.11 1c6s h VAL 73 N 0.72 1.16 0.24 -1.35 3.04 -0.90 2.28 116.25 121.44 1c6s h VAL 73 Ca 0.48 -1.27 -0.01 0.00 -1.01 0.00 0.00 66.70 64.89 1c6s h VAL 73 Cb 0.77 1.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.75 1c6s h VAL 73 CO -0.24 0.35 -0.11 0.00 -1.01 0.00 0.00 177.57 176.55 1c6s h ALA 74 N 1.64 -0.32 -0.02 3.17 0.00 -0.76 -0.74 119.26 122.23 1c6s h ALA 74 Ca -0.00 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1c6s h ALA 74 Cb 0.67 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1c6s h ALA 74 CO 0.05 -0.31 0.08 0.00 0.00 0.00 0.00 179.25 179.07 1c6s h ALA 75 N -1.00 1.22 -0.45 0.00 0.00 -1.13 0.26 119.26 118.16 1c6s h ALA 75 Ca -0.03 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1c6s h ALA 75 Cb 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1c6s h ALA 75 CO 0.05 -0.09 -0.02 -0.92 0.00 0.00 0.00 179.25 178.28 1c6s h TYR 76 N 0.00 0.89 0.00 0.00 3.20 0.42 -1.68 116.97 119.79 1c6s h TYR 76 Ca 0.01 -0.16 -0.03 0.00 3.14 0.00 0.00 58.73 61.69 1c6s h TYR 76 Cb 0.17 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 1c6s h TYR 76 CO 0.00 0.87 -0.15 0.28 -1.64 0.00 0.00 178.16 177.52 1c6s h VAL 77 N 0.66 0.39 -0.00 1.81 2.07 0.10 -0.81 116.25 120.47 1c6s h VAL 77 Ca 0.13 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1c6s h VAL 77 Cb 0.52 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1c6s h VAL 77 CO 0.03 0.14 -0.05 0.18 0.02 0.00 0.00 177.57 177.89 1c6s n LEU 78 N -3.33 0.09 -0.13 2.57 4.77 -0.70 -2.15 117.00 118.12 1c6s n LEU 78 Ca 0.00 0.32 -0.27 0.00 -0.03 0.00 0.00 56.01 56.04 1c6s n LEU 78 Cb 0.37 -0.36 -0.11 0.00 -2.33 0.00 0.00 43.42 40.99 1c6s n LEU 78 CO 0.31 0.02 -1.38 -0.67 -1.33 0.00 0.00 177.39 174.34 1c6s n ASP 79 N -1.35 1.96 -0.13 -1.43 -0.08 -0.42 -4.15 116.55 110.96 1c6s n ASP 79 Ca 0.11 0.22 -0.13 0.00 -1.51 0.00 0.00 54.79 53.48 1c6s n ASP 79 Cb 0.29 -0.73 -0.01 0.00 2.34 0.00 0.00 41.12 43.01 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 -0.74 0.95 -0.43 -0.67 1.08 -1.35 -1.89 115.11 112.07 1c6s h GLN 80 Ca -0.66 -0.48 0.00 0.00 -1.45 0.00 0.00 58.65 56.06 1c6s h GLN 80 Cb 1.68 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 29.10 1c6s h GLN 80 CO -0.33 1.14 0.28 0.00 -0.95 0.00 0.00 178.83 178.98 1c6s h ALA 81 N 0.80 0.54 -0.32 3.87 0.00 -1.61 0.33 119.26 122.88 1c6s h ALA 81 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1c6s h ALA 81 Cb 0.95 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1c6s h ALA 81 CO 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1c6s n ALA 82 N -2.21 2.71 -1.79 0.00 0.00 -1.20 -3.97 120.51 114.05 1c6s n ALA 82 Ca 0.01 -0.71 0.01 0.00 0.00 0.00 0.00 53.44 52.76 1c6s n ALA 82 Cb 0.02 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.49 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 0.43 0.19 -1.13 0.00 -0.00 -0.58 -5.04 118.16 112.03 1c6s n LYS 83 Ca 0.12 -1.17 0.00 0.00 -0.00 0.00 0.00 58.31 57.26 1c6s n LYS 83 Cb 0.44 -0.63 0.00 0.00 -0.00 0.00 0.00 35.03 34.84 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 -0.19 -0.12 3.21 2.58 0.00 -0.73 -4.77 105.19 105.17 1c6s n GLY 84 Ca 0.02 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.63 0.04 -3.27 1.61 5.03 0.00 -1.36 117.44 118.85 1c6s n TRP 85 Ca 0.00 -0.00 -0.22 0.00 3.03 0.00 0.00 57.50 60.31 1c6s n TRP 85 Cb 0.26 -0.59 -0.01 0.00 -1.03 0.00 0.00 31.31 29.94 1c6s n TRP 85 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1c6s n ALA 86 N 5.50 -1.04 -0.17 6.99 0.00 -1.26 -4.67 120.51 125.87 1c6s n ALA 86 Ca 0.27 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1c6s n ALA 86 Cb 0.36 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.33 1c6s n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91