#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6m n LEU 11 N 0.00 0.61 -0.02 3.17 4.77 -1.26 -4.62 117.00 119.65 2k6m n LEU 11 Ca 0.00 -0.02 -0.16 0.00 -0.03 0.00 0.00 56.01 55.80 2k6m n LEU 11 Cb 0.00 0.16 -0.12 0.00 -2.33 0.00 0.00 43.42 41.13 2k6m n LEU 11 CO 0.00 0.47 0.35 0.00 -1.33 0.00 0.00 177.39 176.87 2k6m h ALA 12 N 0.59 0.01 -2.58 -1.18 0.00 -2.13 -3.46 119.26 110.52 2k6m h ALA 12 Ca -0.42 -0.50 -0.51 0.00 0.00 0.00 0.00 54.91 53.48 2k6m h ALA 12 Cb 1.88 0.02 0.09 0.00 0.00 0.00 0.00 17.79 19.78 2k6m h ALA 12 CO 0.00 0.11 0.42 0.15 0.00 0.00 0.00 179.25 179.94 2k6m s LYS 13 N -2.91 3.10 0.31 0.00 -0.14 -1.26 -5.00 119.74 113.84 2k6m s LYS 13 Ca -0.16 1.57 -0.27 0.00 -1.36 0.00 0.00 55.97 55.75 2k6m s LYS 13 Cb 0.00 -1.97 -0.09 0.00 -1.68 0.00 0.00 37.83 34.08 2k6m s LYS 13 CO 0.75 -1.05 0.99 -0.51 -0.76 0.00 0.00 175.35 174.77 2k6m s LEU 14 N -4.21 4.40 -0.03 3.17 2.01 -1.26 -4.83 118.68 117.94 2k6m s LEU 14 Ca 0.72 1.97 0.06 0.00 0.01 0.00 0.00 54.13 56.88 2k6m s LEU 14 Cb -0.24 -3.90 -0.02 0.00 0.01 0.00 0.00 46.19 42.04 2k6m s LEU 14 CO 0.33 -0.11 -0.19 0.00 1.01 0.00 0.00 176.35 177.38 2k6m s LYS 16 N -0.77 3.21 -0.06 0.00 3.01 -1.26 -5.02 119.74 118.85 2k6m s LYS 16 Ca 0.11 -0.58 -0.10 0.00 -1.01 0.00 0.00 55.97 54.39 2k6m s LYS 16 Cb -0.10 -4.02 0.02 0.00 -1.01 0.00 0.00 37.83 32.72 2k6m s LYS 16 CO 0.00 -1.13 0.25 0.99 0.51 0.00 0.00 175.35 175.98 2k6m s THR 17 N 2.82 0.03 -0.04 2.17 2.01 -1.26 -5.15 115.64 116.22 2k6m s THR 17 Ca 0.20 -0.27 -0.20 0.00 0.31 0.00 0.00 61.69 61.73 2k6m s THR 17 Cb -0.16 -0.44 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 2k6m s THR 17 CO 0.16 -0.15 0.57 -0.63 -0.69 0.00 0.00 174.62 173.89 2k6m s ILE 18 N -0.56 5.01 0.08 1.82 1.09 -1.26 -4.90 121.20 122.49 2k6m s ILE 18 Ca -0.07 1.19 -0.16 0.00 -1.10 0.00 0.00 60.65 60.51 2k6m s ILE 18 Cb -0.04 -3.91 -0.06 0.00 -1.06 0.00 0.00 42.46 37.38 2k6m s ILE 18 CO 0.02 0.37 0.52 -0.31 -0.10 0.00 0.00 174.94 175.43 2k6m s TYR 19 N 0.15 3.71 -0.33 3.97 1.51 -1.03 -4.98 117.35 120.35 2k6m s TYR 19 Ca 0.31 1.11 -0.35 0.00 -1.01 0.00 0.00 57.07 57.12 2k6m s TYR 19 Cb -0.17 -2.39 -0.11 0.00 -0.11 0.00 0.00 41.96 39.18 2k6m s TYR 19 CO 0.15 0.54 2.16 -0.35 -1.11 0.00 0.00 175.55 176.95 2k6m n PRO 20 N 1.37 1.16 -0.35 -1.71 -0.04 -1.26 -4.81 135.00 129.35 2k6m n PRO 20 Ca -0.09 0.33 0.28 0.00 -0.04 0.00 0.00 63.50 63.97 2k6m n PRO 20 Cb 0.52 -2.48 0.53 0.00 -0.04 0.00 0.00 33.50 32.03 2k6m n PRO 20 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 2k6m h LEU 21 N 12.13 0.42 -0.27 1.53 8.10 -1.93 0.28 115.31 135.58 2k6m h LEU 21 Ca -0.29 0.18 0.01 0.00 0.11 0.00 0.00 57.88 57.89 2k6m h LEU 21 Cb 1.32 0.15 -0.02 0.00 -0.44 0.00 0.00 40.66 41.67 2k6m h LEU 21 CO 1.01 -0.18 0.15 0.00 -4.11 0.00 0.00 178.44 175.31 2k6m h ALA 22 N 1.81 0.33 -0.79 0.17 0.00 -1.97 0.69 119.26 119.50 2k6m h ALA 22 Ca 0.76 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.64 2k6m h ALA 22 Cb 1.94 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.63 2k6m h ALA 22 CO -0.57 -0.23 0.38 -0.44 0.00 0.00 0.00 179.25 178.39 2k6m h ASP 23 N 0.32 1.03 1.53 0.00 5.19 -0.79 -2.57 116.42 121.11 2k6m h ASP 23 Ca 0.10 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2k6m h ASP 23 Cb 0.00 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.25 2k6m h ASP 23 CO -0.05 0.86 -0.42 0.17 -3.12 0.00 0.00 179.24 176.68 2k6m h LEU 24 N 1.12 0.00 -0.01 1.55 -0.00 -1.08 -0.42 115.31 116.47 2k6m h LEU 24 Ca 0.27 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.14 2k6m h LEU 24 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 2k6m h LEU 24 CO -0.04 0.01 -0.15 -0.11 -0.00 0.00 0.00 178.44 178.15 2k6m n LEU 25 N -2.85 0.17 0.00 0.17 7.94 0.24 -4.63 117.00 118.03 2k6m n LEU 25 Ca 0.02 0.33 0.00 0.00 -1.11 0.00 0.00 56.01 55.25 2k6m n LEU 25 Cb 0.53 -0.41 0.00 0.00 0.53 0.00 0.00 43.42 44.07 2k6m n LEU 25 CO 0.36 0.04 0.00 0.00 -1.11 0.00 0.00 177.39 176.68 2k6m n ALA 26 N -1.48 0.00 -3.26 1.96 0.00 -1.07 -4.77 120.51 111.89 2k6m n ALA 26 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 2k6m n ALA 26 Cb 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.70 2k6m n ALA 26 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2k6m s ARG 27 N 0.00 0.65 -0.30 0.00 1.04 -0.17 -4.98 118.95 115.19 2k6m s ARG 27 Ca 0.00 -0.01 -0.14 0.00 -1.04 0.00 0.00 55.73 54.54 2k6m s ARG 27 Cb 0.00 0.29 -0.15 0.00 -2.04 0.00 0.00 34.95 33.06 2k6m s ARG 27 CO 0.00 -0.17 1.32 -2.30 -0.04 0.00 0.00 175.30 174.11 2k6m n PRO 28 N 1.60 0.02 -1.73 3.89 -0.02 -1.26 -4.41 135.00 133.09 2k6m n PRO 28 Ca -0.20 -0.68 -0.32 0.00 -2.02 0.00 0.00 63.50 60.28 2k6m n PRO 28 Cb 0.56 -2.13 0.04 0.00 -0.02 0.00 0.00 33.50 31.95 2k6m n PRO 28 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2k6m s LEU 29 N 4.79 3.29 0.00 2.45 2.34 -1.25 -5.05 118.68 125.25 2k6m s LEU 29 Ca 0.37 1.77 0.00 0.00 0.06 0.00 0.00 54.13 56.34 2k6m s LEU 29 Cb 0.02 -4.52 0.00 0.00 -0.56 0.00 0.00 46.19 41.13 2k6m s LEU 29 CO 0.13 -1.45 0.00 -0.81 -1.06 0.00 0.00 176.35 173.16 2k6m n PRO 30 N -2.67 0.30 -0.00 1.48 -0.04 -1.26 -4.98 135.00 127.83 2k6m n PRO 30 Ca 0.09 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.64 2k6m n PRO 30 Cb 0.53 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.87 2k6m n PRO 30 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2k6m n GLU 31 N -0.50 0.68 -0.02 0.54 4.07 -1.26 -4.21 120.64 119.95 2k6m n GLU 31 Ca 0.00 -0.03 0.24 0.00 -0.06 0.00 0.00 57.16 57.30 2k6m n GLU 31 Cb 0.00 -1.41 0.71 0.00 -0.06 0.00 0.00 31.44 30.67 2k6m n GLU 31 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 2k6m h GLY 32 N 4.34 0.00 -1.65 8.31 0.00 -2.02 -3.39 103.07 108.67 2k6m h GLY 32 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 2k6m h GLY 32 CO 0.00 0.00 0.39 -1.34 0.00 0.00 0.00 176.54 175.59 2k6m s VAL 33 N -4.67 4.47 -0.30 4.60 -7.23 -1.26 -4.97 120.40 111.04 2k6m s VAL 33 Ca -0.04 1.08 0.02 0.00 -1.81 0.00 0.00 61.98 61.23 2k6m s VAL 33 Cb 0.17 -3.70 0.09 0.00 0.56 0.00 0.00 36.38 33.49 2k6m s VAL 33 CO 0.59 -0.77 0.03 -1.81 -0.31 0.00 0.00 175.10 172.83 2k6m s ASP 34 N -3.31 4.30 0.32 4.85 1.11 -1.25 -5.01 116.67 117.68 2k6m s ASP 34 Ca 0.59 -1.73 0.10 0.00 0.18 0.00 0.00 52.55 51.68 2k6m s ASP 34 Cb -0.11 -1.27 0.94 0.00 1.07 0.00 0.00 42.92 43.55 2k6m s ASP 34 CO 0.38 -0.35 1.65 1.55 1.18 0.00 0.00 175.17 179.58 2k6m h PRO 35 N 7.85 0.24 0.00 8.23 0.13 -1.97 0.84 132.00 147.33 2k6m h PRO 35 Ca -0.11 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2k6m h PRO 35 Cb 1.03 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2k6m h PRO 35 CO 0.48 0.16 0.00 1.47 -0.23 0.00 0.00 178.00 179.88 2k6m n LEU 36 N -5.15 0.62 -3.17 1.56 -0.00 -1.26 -4.25 117.00 105.36 2k6m n LEU 36 Ca 0.28 0.71 0.03 0.00 -0.00 0.00 0.00 56.01 57.03 2k6m n LEU 36 Cb 0.88 -0.69 -0.00 0.00 -0.00 0.00 0.00 43.42 43.60 2k6m n LEU 36 CO 0.07 -0.74 0.11 -1.59 -0.00 0.00 0.00 177.39 175.24 2k6m s LYS 37 N -3.42 0.65 -0.13 1.47 -2.85 0.29 -5.06 119.74 110.69 2k6m s LYS 37 Ca 0.01 0.23 -0.20 0.00 -1.00 0.00 0.00 55.97 55.01 2k6m s LYS 37 Cb 0.08 0.19 -0.18 0.00 -2.06 0.00 0.00 37.83 35.86 2k6m s LYS 37 CO 0.30 -1.08 0.53 -0.07 0.10 0.00 0.00 175.35 175.13 2k6m h LEU 38 N 7.57 0.00 -1.56 2.77 3.38 -1.68 -3.34 115.31 122.45 2k6m h LEU 38 Ca 0.01 -0.69 0.45 0.00 0.09 0.00 0.00 57.88 57.75 2k6m h LEU 38 Cb 1.19 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.87 2k6m h LEU 38 CO 0.12 0.84 1.20 -1.84 0.09 0.00 0.00 178.44 178.86 2k6m n GLU 39 N -4.66 0.00 0.24 1.13 0.00 -1.26 0.15 120.64 116.23 2k6m n GLU 39 Ca -0.07 0.92 0.14 0.00 0.00 0.00 0.00 57.16 58.15 2k6m n GLU 39 Cb 0.33 -2.16 0.79 0.00 0.00 0.00 0.00 31.44 30.40 2k6m n GLU 39 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.13 176.29 2k6m h ILE 40 N 0.00 0.67 -0.74 3.84 -0.00 -1.94 -2.58 117.51 116.75 2k6m h ILE 40 Ca 0.74 0.00 -0.44 0.00 -0.00 0.00 0.00 64.86 65.16 2k6m h ILE 40 Cb 3.13 0.93 -0.25 0.00 -0.00 0.00 0.00 36.82 40.64 2k6m h ILE 40 CO -0.01 0.00 0.28 0.00 -0.00 0.00 0.00 178.15 178.42 2k6m n TYR 41 N -4.08 2.38 -3.68 0.16 0.18 0.12 -4.90 117.16 107.34 2k6m n TYR 41 Ca -0.01 -2.07 -0.23 0.00 1.88 0.00 0.00 57.90 57.47 2k6m n TYR 41 Cb 0.20 -0.83 -0.17 0.00 -0.38 0.00 0.00 39.34 38.15 2k6m n TYR 41 CO 0.00 0.00 0.00 -0.48 -2.08 0.00 0.00 176.86 174.30 2k6m s LEU 42 N -3.43 0.39 0.00 -3.48 0.05 -0.97 -2.46 118.68 108.78 2k6m s LEU 42 Ca 0.54 -0.25 -0.00 0.00 0.05 0.00 0.00 54.13 54.46 2k6m s LEU 42 Cb 0.45 -0.27 0.01 0.00 -2.05 0.00 0.00 46.19 44.33 2k6m s LEU 42 CO 0.04 -0.28 0.02 1.07 -0.55 0.00 0.00 176.35 176.65 2k6m n THR 43 N 5.24 0.00 -0.19 5.48 5.66 -1.26 -4.12 114.28 125.09 2k6m n THR 43 Ca -0.06 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.90 2k6m n THR 43 Cb 0.49 -0.02 0.13 0.00 -1.55 0.00 0.00 70.33 69.38 2k6m n THR 43 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 2k6m h ASP 44 N -2.02 0.92 0.26 1.09 3.04 -1.96 1.54 116.42 119.29 2k6m h ASP 44 Ca -0.01 -0.18 -0.01 0.00 -3.24 0.00 0.00 57.03 53.60 2k6m h ASP 44 Cb 0.02 -0.24 0.00 0.00 -1.04 0.00 0.00 39.33 38.08 2k6m h ASP 44 CO 0.00 0.88 -0.13 -0.33 -2.04 0.00 0.00 179.24 177.63 2k6m h GLU 45 N 0.94 -0.34 -0.04 4.15 5.08 -1.92 1.54 114.58 123.99 2k6m h GLU 45 Ca 0.20 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 2k6m h GLU 45 Cb 0.32 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2k6m h GLU 45 CO -0.00 -0.04 -0.20 0.22 -1.00 0.00 0.00 179.01 177.99 2k6m h ASP 46 N -0.64 0.06 -0.13 1.42 1.82 -1.83 -1.49 116.42 115.63 2k6m h ASP 46 Ca -0.04 -0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.55 2k6m h ASP 46 Cb 0.45 -0.02 -0.00 0.00 0.68 0.00 0.00 39.33 40.45 2k6m h ASP 46 CO 0.06 0.27 -0.08 -0.26 -1.61 0.00 0.00 179.24 177.62 2k6m h PHE 47 N 0.06 0.33 -0.46 0.28 0.04 0.26 0.16 116.94 117.61 2k6m h PHE 47 Ca 0.01 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2k6m h PHE 47 Cb 0.39 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 2k6m h PHE 47 CO 0.00 0.64 0.30 0.93 -0.60 0.00 0.00 178.31 179.58 2k6m h GLU 48 N -0.07 0.61 0.00 1.51 5.08 0.28 1.49 114.58 123.48 2k6m h GLU 48 Ca 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2k6m h GLU 48 Cb 0.55 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2k6m h GLU 48 CO 0.02 0.41 -0.43 0.35 -1.00 0.00 0.00 179.01 178.36 2k6m h PHE 49 N 0.62 0.00 0.00 4.33 3.57 -1.32 -1.98 116.94 122.15 2k6m h PHE 49 Ca 0.17 0.00 -0.43 0.00 3.53 0.00 0.00 57.97 61.24 2k6m h PHE 49 Cb -0.06 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.61 2k6m h PHE 49 CO -0.04 0.00 -2.51 0.00 -2.23 0.00 0.00 178.31 173.53 2k6m n ALA 50 N -1.96 1.33 -0.06 2.41 0.00 0.55 -4.75 120.51 118.03 2k6m n ALA 50 Ca 0.03 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.37 2k6m n ALA 50 Cb 0.48 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2k6m n ALA 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k6m n LEU 51 N -3.73 0.35 -0.50 0.00 4.77 0.33 -4.75 117.00 113.48 2k6m n LEU 51 Ca -0.50 -0.60 -0.06 0.00 -0.03 0.00 0.00 56.01 54.82 2k6m n LEU 51 Cb 0.94 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.00 2k6m n LEU 51 CO 0.15 0.09 -0.06 0.47 -1.33 0.00 0.00 177.39 176.70 2k6m n ASP 52 N -0.50 -5.43 -0.50 -1.43 9.92 0.42 -4.92 116.55 114.11 2k6m n ASP 52 Ca 0.00 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 2k6m n ASP 52 Cb 0.02 -3.50 0.00 0.00 -0.64 0.00 0.00 41.12 36.99 2k6m n ASP 52 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 2k6m n MET 53 N -0.61 3.08 -4.21 -1.24 1.56 -1.16 -4.82 117.12 109.72 2k6m n MET 53 Ca -0.06 0.00 -0.13 0.00 -0.27 0.00 0.00 57.70 57.24 2k6m n MET 53 Cb 0.49 0.00 -0.10 0.00 2.15 0.00 0.00 33.22 35.76 2k6m n MET 53 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 2k6m s THR 54 N 0.27 0.95 0.42 1.12 -4.23 -1.26 -3.44 115.64 109.46 2k6m s THR 54 Ca 0.00 -1.94 0.11 0.00 -1.18 0.00 0.00 61.69 58.68 2k6m s THR 54 Cb 0.00 -1.70 0.18 0.00 1.34 0.00 0.00 72.50 72.32 2k6m s THR 54 CO 0.00 -0.76 1.97 -0.09 -0.54 0.00 0.00 174.62 175.19 2k6m h ARG 55 N 2.98 0.18 -0.00 3.99 2.43 -1.87 -0.03 114.38 122.06 2k6m h ARG 55 Ca -0.36 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 2k6m h ARG 55 Cb 1.18 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2k6m h ARG 55 CO 0.62 0.29 -0.38 -0.25 -1.51 0.00 0.00 179.97 178.74 2k6m n ASP 56 N -4.32 0.57 -0.08 -3.80 9.92 -1.26 -2.44 116.55 115.13 2k6m n ASP 56 Ca -0.01 -0.34 -0.08 0.00 -0.53 0.00 0.00 54.79 53.82 2k6m n ASP 56 Cb 0.23 0.14 -0.03 0.00 -0.64 0.00 0.00 41.12 40.82 2k6m n ASP 56 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2k6m n GLU 57 N -1.28 0.48 0.05 -1.24 2.13 -0.51 -4.25 120.64 116.02 2k6m n GLU 57 Ca 0.08 0.46 0.04 0.00 0.66 0.00 0.00 57.16 58.40 2k6m n GLU 57 Cb 0.33 -1.64 0.46 0.00 0.27 0.00 0.00 31.44 30.86 2k6m n GLU 57 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 2k6m h TYR 58 N -1.00 0.42 -0.49 4.31 0.05 -1.23 0.85 116.97 119.88 2k6m h TYR 58 Ca -0.06 0.01 0.14 0.00 0.05 0.00 0.00 58.73 58.86 2k6m h TYR 58 Cb 0.73 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.31 2k6m h TYR 58 CO -0.22 0.28 0.59 -0.91 -1.05 0.00 0.00 178.16 176.85 2k6m h ASN 59 N 0.45 0.00 0.00 3.88 -0.26 -1.65 -2.46 115.58 115.54 2k6m h ASN 59 Ca 0.12 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.77 2k6m h ASN 59 Cb -0.03 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.22 2k6m h ASN 59 CO -0.02 0.00 -1.34 0.00 -1.06 0.00 0.00 177.43 175.00 2k6m n ALA 60 N -2.26 1.87 -0.69 -0.83 0.00 -0.49 -5.05 120.51 113.06 2k6m n ALA 60 Ca 0.09 -0.29 -0.31 0.00 0.00 0.00 0.00 53.44 52.93 2k6m n ALA 60 Cb 0.78 0.25 0.18 0.00 0.00 0.00 0.00 19.45 20.65 2k6m n ALA 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k6m s LEU 61 N -4.83 2.54 0.89 0.00 1.43 0.17 -4.94 118.68 113.94 2k6m s LEU 61 Ca -0.05 2.07 -0.14 0.00 -1.03 0.00 0.00 54.13 54.98 2k6m s LEU 61 Cb 0.02 -4.39 -0.02 0.00 0.03 0.00 0.00 46.19 41.83 2k6m s LEU 61 CO 0.17 -3.25 0.20 -2.65 0.23 0.00 0.00 176.35 171.05 2k6m n PRO 62 N -4.32 -0.09 0.10 1.29 -0.02 -1.26 -4.86 135.00 125.84 2k6m n PRO 62 Ca 0.10 0.01 0.12 0.00 -2.02 0.00 0.00 63.50 61.71 2k6m n PRO 62 Cb 0.52 -1.67 0.10 0.00 -0.02 0.00 0.00 33.50 32.44 2k6m n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k6m h ALA 63 N -1.13 0.60 0.07 3.55 0.00 -1.92 -3.01 119.26 117.43 2k6m h ALA 63 Ca -0.44 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.17 2k6m h ALA 63 Cb 1.31 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 2k6m h ALA 63 CO 0.34 0.00 -1.66 -2.67 0.00 0.00 0.00 179.25 175.26 2k6m n TRP 64 N -2.46 1.14 -0.14 0.00 4.27 -1.26 -2.78 117.44 116.21 2k6m n TRP 64 Ca 0.02 0.35 -0.08 0.00 -3.89 0.00 0.00 57.50 53.89 2k6m n TRP 64 Cb 0.50 -1.13 0.00 0.00 -1.36 0.00 0.00 31.31 29.31 2k6m n TRP 64 CO 0.00 0.00 0.00 -0.22 -2.29 0.00 0.00 177.69 175.18 2k6m h LYS 65 N -0.44 0.60 -0.91 -2.67 3.64 -1.95 2.14 116.57 116.96 2k6m h LYS 65 Ca -0.39 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2k6m h LYS 65 Cb 1.69 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 33.35 2k6m h LYS 65 CO -0.06 0.48 0.55 -0.56 -2.27 0.00 0.00 179.45 177.59 2k6m h GLN 66 N 0.56 1.23 -0.50 1.90 3.07 -1.69 -0.67 115.11 119.00 2k6m h GLN 66 Ca 0.15 -0.11 -0.10 0.00 0.09 0.00 0.00 58.65 58.68 2k6m h GLN 66 Cb 0.05 -0.26 -0.02 0.00 0.08 0.00 0.00 27.48 27.34 2k6m h GLN 66 CO -0.02 0.86 -0.09 0.28 0.09 0.00 0.00 178.83 179.95 2k6m h VAL 67 N 1.26 1.27 -1.25 1.86 2.07 -1.05 -2.74 116.25 117.66 2k6m h VAL 67 Ca 0.33 -1.22 0.39 0.00 0.82 0.00 0.00 66.70 67.02 2k6m h VAL 67 Cb -0.06 1.03 -0.12 0.00 -1.52 0.00 0.00 31.29 30.62 2k6m h VAL 67 CO -0.06 0.43 0.81 -1.13 0.02 0.00 0.00 177.57 177.64 2k6m h ASN 68 N 0.81 0.28 0.02 0.57 -1.24 0.50 0.55 115.58 117.07 2k6m h ASN 68 Ca 0.13 0.12 -0.04 0.00 0.71 0.00 0.00 56.30 57.22 2k6m h ASN 68 Cb 0.64 0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.79 2k6m h ASN 68 CO 0.04 -0.11 -0.16 -0.07 -1.29 0.00 0.00 177.43 175.84 2k6m h LEU 69 N 0.16 0.11 -0.37 0.34 -0.00 -1.24 -2.55 115.31 111.76 2k6m h LEU 69 Ca 0.76 -0.89 0.07 0.00 -0.00 0.00 0.00 57.88 57.82 2k6m h LEU 69 Cb 2.31 -0.04 -0.07 0.00 -0.00 0.00 0.00 40.66 42.87 2k6m h LEU 69 CO -0.37 0.99 -0.06 0.11 -0.00 0.00 0.00 178.44 179.11 2k6m h LYS 70 N -0.75 0.03 0.00 1.13 1.57 -0.85 0.97 116.57 118.67 2k6m h LYS 70 Ca -0.02 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 2k6m h LYS 70 Cb 1.03 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 2k6m h LYS 70 CO 0.03 0.02 -0.26 0.87 -0.57 0.00 0.00 179.45 179.54 2k6m h LYS 71 N 0.03 0.00 0.01 3.15 1.57 -1.35 0.92 116.57 120.90 2k6m h LYS 71 Ca 0.18 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.75 2k6m h LYS 71 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2k6m h LYS 71 CO -0.35 0.26 -0.97 0.00 -0.57 0.00 0.00 179.45 177.81 2k6m h ALA 72 N 1.74 0.40 0.00 3.86 0.00 -0.31 -3.31 119.26 121.66 2k6m h ALA 72 Ca -0.00 -0.86 -0.17 0.00 0.00 0.00 0.00 54.91 53.88 2k6m h ALA 72 Cb 0.52 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2k6m h ALA 72 CO 0.03 1.16 -1.74 1.17 0.00 0.00 0.00 179.25 179.87 2k6m n LYS 73 N -3.43 0.64 0.00 0.00 3.00 0.31 -4.99 118.16 113.69 2k6m n LYS 73 Ca -0.01 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 2k6m n LYS 73 Cb 0.91 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 34.25 2k6m n LYS 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k6m n GLY 74 N 1.44 0.82 0.00 3.14 0.00 0.30 -5.05 105.19 105.84 2k6m n GLY 74 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2k6m n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k6m n LEU 75 N 0.00 0.00 0.00 0.99 4.77 -0.08 -4.84 117.00 117.84 2k6m n LEU 75 Ca 0.00 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2k6m n LEU 75 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2k6m n LEU 75 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.39 176.55