#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b6k s GLN 2 N 0.00 3.07 -0.22 0.54 0.74 -1.26 -5.08 119.66 117.45 1b6k s GLN 2 Ca 0.00 -0.89 -0.07 0.00 0.05 0.00 0.00 55.36 54.45 1b6k s GLN 2 Cb 0.00 -3.50 -0.03 0.00 1.10 0.00 0.00 33.01 30.57 1b6k s GLN 2 CO 0.00 -0.50 0.05 0.42 -0.55 0.00 0.00 175.29 174.71 1b6k s ILE 3 N 1.53 4.38 0.59 -2.34 1.01 -1.26 -5.10 121.20 120.01 1b6k s ILE 3 Ca 0.03 -0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.45 1b6k s ILE 3 Cb -0.18 -3.01 -0.00 0.00 0.01 0.00 0.00 42.46 39.28 1b6k s ILE 3 CO 0.04 0.40 0.91 0.42 0.00 0.00 0.00 174.94 176.71 1b6k s THR 4 N 1.07 3.93 -0.28 2.92 -4.23 -1.26 -5.03 115.64 112.76 1b6k s THR 4 Ca 0.04 0.16 0.11 0.00 -1.18 0.00 0.00 61.69 60.81 1b6k s THR 4 Cb -0.14 -3.56 0.56 0.00 1.34 0.00 0.00 72.50 70.70 1b6k s THR 4 CO 0.03 -0.60 1.54 0.18 -0.54 0.00 0.00 174.62 175.23 1b6k n LEU 5 N -2.59 4.56 0.19 4.79 4.77 -1.26 -4.49 117.00 122.98 1b6k n LEU 5 Ca 0.04 -3.47 0.06 0.00 -0.03 0.00 0.00 56.01 52.61 1b6k n LEU 5 Cb 0.57 -0.64 0.37 0.00 -2.33 0.00 0.00 43.42 41.39 1b6k n LEU 5 CO 0.54 1.01 0.71 -0.50 -1.33 0.00 0.00 177.39 177.81 1b6k h TRP 6 N 1.43 0.00 -2.81 -1.77 4.06 -2.06 -3.44 115.95 111.36 1b6k h TRP 6 Ca 0.21 0.00 -0.46 0.00 2.06 0.00 0.00 58.89 60.69 1b6k h TRP 6 Cb 1.80 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.82 1b6k h TRP 6 CO 0.96 0.36 -0.69 0.15 -3.56 0.00 0.00 178.44 175.66 1b6k s LYS 7 N -3.73 1.45 0.25 0.49 1.02 -1.26 -5.11 119.74 112.85 1b6k s LYS 7 Ca -0.01 -1.71 -0.31 0.00 0.02 0.00 0.00 55.97 53.97 1b6k s LYS 7 Cb 0.12 -1.06 -0.11 0.00 -0.52 0.00 0.00 37.83 36.25 1b6k s LYS 7 CO 0.68 0.06 1.62 1.03 -0.92 0.00 0.00 175.35 177.82 1b6k s ARG 8 N -3.72 4.15 -1.17 1.68 0.52 -1.26 -4.86 118.95 114.28 1b6k s ARG 8 Ca 0.27 2.54 -0.19 0.00 -0.52 0.00 0.00 55.73 57.83 1b6k s ARG 8 Cb 0.03 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.40 1b6k s ARG 8 CO 0.10 -0.65 1.96 -0.35 0.02 0.00 0.00 175.30 176.39 1b6k n PRO 9 N 2.97 2.27 -3.62 3.54 -0.04 -1.26 -4.93 135.00 133.93 1b6k n PRO 9 Ca 0.11 -2.51 -0.37 0.00 -0.04 0.00 0.00 63.50 60.68 1b6k n PRO 9 Cb 0.37 -3.33 -0.06 0.00 -0.04 0.00 0.00 33.50 30.44 1b6k n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1b6k s LEU 10 N 4.31 4.41 0.05 1.53 1.43 -1.26 -1.47 118.68 127.67 1b6k s LEU 10 Ca 0.56 0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 54.38 1b6k s LEU 10 Cb 0.09 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 1b6k s LEU 10 CO 0.06 0.31 -0.03 0.68 0.23 0.00 0.00 176.35 177.60 1b6k s VAL 11 N -0.77 0.21 -0.00 -1.59 -7.23 0.22 -4.94 120.40 106.30 1b6k s VAL 11 Ca 0.20 -1.76 -0.25 0.00 -1.81 0.00 0.00 61.98 58.36 1b6k s VAL 11 Cb -0.15 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.29 1b6k s VAL 11 CO 0.09 -0.97 0.76 -0.89 -0.31 0.00 0.00 175.10 173.77 1b6k s THR 12 N -3.81 4.87 0.27 5.32 2.01 -1.26 -0.45 115.64 122.59 1b6k s THR 12 Ca 0.06 1.60 0.07 0.00 0.31 0.00 0.00 61.69 63.73 1b6k s THR 12 Cb 0.07 -4.11 -0.06 0.00 0.01 0.00 0.00 72.50 68.42 1b6k s THR 12 CO -0.10 0.30 -0.07 0.27 -0.69 0.00 0.00 174.62 174.33 1b6k s ILE 13 N 0.39 1.69 -0.10 1.82 -4.36 0.48 -4.65 121.20 116.46 1b6k s ILE 13 Ca 0.40 -2.14 -0.00 0.00 -0.26 0.00 0.00 60.65 58.64 1b6k s ILE 13 Cb -0.19 -2.40 0.02 0.00 1.25 0.00 0.00 42.46 41.14 1b6k s ILE 13 CO 0.22 -0.34 -0.07 -0.60 0.24 0.00 0.00 174.94 174.39 1b6k s ARG 14 N -3.71 1.43 -0.02 0.37 3.52 -0.26 -1.15 118.95 119.13 1b6k s ARG 14 Ca 0.29 -0.23 -0.00 0.00 -0.13 0.00 0.00 55.73 55.65 1b6k s ARG 14 Cb 0.03 -1.47 0.03 0.00 -1.56 0.00 0.00 34.95 31.98 1b6k s ARG 14 CO 0.11 -0.22 0.04 -1.50 -0.81 0.00 0.00 175.30 172.92 1b6k s ILE 15 N 1.55 -0.05 -1.54 4.11 2.07 0.03 -1.67 121.20 125.70 1b6k s ILE 15 Ca 0.01 0.18 0.00 0.00 -1.41 0.00 0.00 60.65 59.43 1b6k s ILE 15 Cb -0.13 -0.09 0.00 0.00 0.13 0.00 0.00 42.46 42.37 1b6k s ILE 15 CO -0.06 0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 1b6k n GLY 16 N 4.00 1.38 2.03 1.50 0.00 -1.26 -1.51 105.19 111.33 1b6k n GLY 16 Ca -0.25 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 45.43 1b6k n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b6k n GLY 17 N -1.16 0.44 3.05 -0.02 0.00 -1.26 -5.03 105.19 101.22 1b6k n GLY 17 Ca -0.15 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.65 1b6k n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1b6k s GLN 18 N -2.42 1.08 0.09 1.61 0.74 -0.57 -5.14 119.66 115.05 1b6k s GLN 18 Ca 0.00 -0.41 -0.25 0.00 0.05 0.00 0.00 55.36 54.76 1b6k s GLN 18 Cb 0.00 -1.01 -0.06 0.00 1.10 0.00 0.00 33.01 33.03 1b6k s GLN 18 CO 0.00 0.20 0.75 -0.51 -0.55 0.00 0.00 175.29 175.19 1b6k s LEU 19 N -0.06 4.50 0.17 3.68 1.02 -1.26 -0.79 118.68 125.94 1b6k s LEU 19 Ca 0.01 1.50 -0.08 0.00 0.02 0.00 0.00 54.13 55.57 1b6k s LEU 19 Cb -0.07 -3.22 -0.01 0.00 0.02 0.00 0.00 46.19 42.90 1b6k s LEU 19 CO 0.00 0.10 0.27 -0.54 0.02 0.00 0.00 176.35 176.20 1b6k s LYS 20 N -0.48 1.17 -0.17 1.70 1.02 -0.30 -4.99 119.74 117.68 1b6k s LYS 20 Ca 0.37 -1.23 -0.06 0.00 0.02 0.00 0.00 55.97 55.07 1b6k s LYS 20 Cb -0.21 0.37 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 1b6k s LYS 20 CO 0.24 -0.42 0.03 -2.00 -0.92 0.00 0.00 175.35 172.28 1b6k s GLU 21 N -3.99 3.87 0.08 1.68 2.56 -1.26 -0.39 118.70 121.25 1b6k s GLU 21 Ca 0.19 -0.39 0.03 0.00 0.00 0.00 0.00 54.97 54.80 1b6k s GLU 21 Cb 0.04 -3.12 -0.03 0.00 2.00 0.00 0.00 34.13 33.01 1b6k s GLU 21 CO 0.01 0.28 -0.08 0.00 -0.56 0.00 0.00 175.26 174.91 1b6k s ALA 22 N 0.32 0.88 -0.20 6.30 0.00 0.40 -4.44 121.76 125.02 1b6k s ALA 22 Ca 0.01 -1.08 -0.13 0.00 0.00 0.00 0.00 51.96 50.76 1b6k s ALA 22 Cb -0.13 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 1b6k s ALA 22 CO 0.01 -0.08 0.27 -1.17 0.00 0.00 0.00 175.76 174.78 1b6k s LEU 23 N -2.30 4.17 -0.51 0.00 2.96 0.60 -0.61 118.68 122.98 1b6k s LEU 23 Ca 0.02 0.36 -0.29 0.00 -0.22 0.00 0.00 54.13 54.00 1b6k s LEU 23 Cb -0.03 -2.31 0.03 0.00 0.50 0.00 0.00 46.19 44.38 1b6k s LEU 23 CO -0.01 0.04 1.20 -0.76 -1.32 0.00 0.00 176.35 175.50 1b6k s LEU 24 N 0.91 3.55 -0.35 -0.68 1.43 -0.54 -0.80 118.68 122.20 1b6k s LEU 24 Ca 0.14 0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 1b6k s LEU 24 Cb -0.13 -3.39 0.09 0.00 0.03 0.00 0.00 46.19 42.78 1b6k s LEU 24 CO 0.05 -1.38 0.08 -0.62 0.23 0.00 0.00 176.35 174.71 1b6k s ASP 25 N 2.88 4.91 0.00 2.29 -1.08 -0.52 -4.82 116.67 120.34 1b6k s ASP 25 Ca 0.48 -1.90 0.21 0.00 -0.52 0.00 0.00 52.55 50.82 1b6k s ASP 25 Cb -0.08 -1.70 0.91 0.00 -1.46 0.00 0.00 42.92 40.59 1b6k s ASP 25 CO 0.29 -0.39 1.66 0.35 0.52 0.00 0.00 175.17 177.60 1b6k n THR 26 N 4.44 0.55 0.65 1.71 -2.24 -1.26 -2.41 114.28 115.71 1b6k n THR 26 Ca -0.03 0.14 0.11 0.00 -2.27 0.00 0.00 64.05 62.00 1b6k n THR 26 Cb 0.42 -0.79 0.27 0.00 -2.10 0.00 0.00 70.33 68.14 1b6k n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b6k n GLY 27 N 0.60 1.17 3.39 3.38 0.00 -1.26 -4.87 105.19 107.61 1b6k n GLY 27 Ca 0.06 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 1b6k n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b6k s ALA 28 N -1.58 2.81 0.16 4.61 0.00 -1.01 -4.99 121.76 121.76 1b6k s ALA 28 Ca 0.36 -0.95 -0.07 0.00 0.00 0.00 0.00 51.96 51.29 1b6k s ALA 28 Cb 0.20 -1.48 0.02 0.00 0.00 0.00 0.00 23.12 21.86 1b6k s ALA 28 CO 0.29 0.02 1.46 -0.44 0.00 0.00 0.00 175.76 177.08 1b6k h ASP 29 N 7.15 0.79 -1.44 0.00 3.32 -1.89 0.29 116.42 124.63 1b6k h ASP 29 Ca -0.32 -0.42 -0.59 0.00 0.02 0.00 0.00 57.03 55.71 1b6k h ASP 29 Cb 1.19 -0.23 -0.10 0.00 0.22 0.00 0.00 39.33 40.42 1b6k h ASP 29 CO 0.59 1.18 -0.51 -1.81 -1.72 0.00 0.00 179.24 176.97 1b6k s ASP 30 N -6.94 4.28 -0.25 6.45 1.01 -1.26 -2.70 116.67 117.27 1b6k s ASP 30 Ca -0.09 -1.21 -0.09 0.00 0.71 0.00 0.00 52.55 51.87 1b6k s ASP 30 Cb 0.11 -0.32 -0.04 0.00 1.01 0.00 0.00 42.92 43.68 1b6k s ASP 30 CO 0.86 -0.58 0.12 -0.89 0.21 0.00 0.00 175.17 174.89 1b6k s THR 31 N -2.66 4.89 -0.16 -1.27 2.01 -1.26 -3.12 115.64 114.06 1b6k s THR 31 Ca 0.36 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.39 1b6k s THR 31 Cb 0.05 -3.28 0.02 0.00 0.01 0.00 0.00 72.50 69.30 1b6k s THR 31 CO 0.20 0.33 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.61 1b6k s VAL 32 N 1.34 1.77 0.06 3.82 1.01 -0.48 -0.83 120.40 127.08 1b6k s VAL 32 Ca 0.06 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1b6k s VAL 32 Cb -0.15 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1b6k s VAL 32 CO 0.06 0.47 0.01 -0.63 0.00 0.00 0.00 175.10 175.00 1b6k s ILE 33 N 1.40 4.11 0.70 2.22 -1.09 0.11 -0.20 121.20 128.44 1b6k s ILE 33 Ca 0.04 -0.83 -0.16 0.00 -2.23 0.00 0.00 60.65 57.47 1b6k s ILE 33 Cb -0.13 -2.91 0.02 0.00 -1.58 0.00 0.00 42.46 37.85 1b6k s ILE 33 CO -0.11 0.21 1.24 -1.83 -1.23 0.00 0.00 174.94 173.21 1b6k s GLU 34 N -2.05 2.31 -0.18 2.79 -1.05 -1.26 -1.51 118.70 117.75 1b6k s GLU 34 Ca 0.24 1.87 -0.39 0.00 -0.15 0.00 0.00 54.97 56.53 1b6k s GLU 34 Cb -0.12 -1.84 -0.16 0.00 -0.44 0.00 0.00 34.13 31.57 1b6k s GLU 34 CO 0.16 -1.73 1.65 0.39 0.95 0.00 0.00 175.26 176.67 1b6k n GLU 35 N -2.39 1.17 -3.80 -4.83 -0.58 -1.14 -4.59 120.64 104.48 1b6k n GLU 35 Ca 0.14 0.43 -0.07 0.00 -0.42 0.00 0.00 57.16 57.24 1b6k n GLU 35 Cb 0.49 -2.10 -0.02 0.00 -0.57 0.00 0.00 31.44 29.24 1b6k n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1b6k s MET 36 N 2.79 1.69 -0.33 3.49 0.23 -1.26 -5.03 119.30 120.89 1b6k s MET 36 Ca 0.95 -0.91 -0.20 0.00 -1.03 0.00 0.00 55.69 54.50 1b6k s MET 36 Cb -1.03 0.60 -0.00 0.00 -1.53 0.00 0.00 34.83 32.86 1b6k s MET 36 CO 0.61 -0.77 0.63 0.54 -2.03 0.00 0.00 175.02 173.99 1b6k s ASN 37 N -2.90 6.47 -0.05 -1.18 4.22 -1.26 -5.05 114.94 115.18 1b6k s ASN 37 Ca 0.10 0.31 0.06 0.00 -2.14 0.00 0.00 52.86 51.19 1b6k s ASN 37 Cb -0.05 -2.33 -0.02 0.00 1.28 0.00 0.00 41.25 40.13 1b6k s ASN 37 CO 0.04 -0.52 -0.22 -0.76 -2.04 0.00 0.00 177.10 173.60 1b6k s LEU 38 N 2.65 2.24 0.61 3.54 1.43 -1.26 -5.00 118.68 122.89 1b6k s LEU 38 Ca 0.25 -0.43 -0.19 0.00 -1.03 0.00 0.00 54.13 52.73 1b6k s LEU 38 Cb -0.15 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 1b6k s LEU 38 CO 0.13 0.28 1.26 -2.84 0.23 0.00 0.00 176.35 175.41 1b6k s PRO 39 N -0.34 2.83 0.00 1.29 0.02 -1.26 -4.88 135.00 132.66 1b6k s PRO 39 Ca 0.02 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.01 1b6k s PRO 39 Cb -0.12 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.46 1b6k s PRO 39 CO 0.02 -1.35 0.00 0.41 -0.33 0.00 0.00 177.00 175.75 1b6k n GLY 40 N 0.70 0.25 3.88 0.52 0.00 -1.26 -5.02 105.19 104.25 1b6k n GLY 40 Ca 0.14 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 1b6k n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b6k s LYS 41 N -1.36 3.64 0.02 1.61 3.01 -1.26 -5.10 119.74 120.30 1b6k s LYS 41 Ca 0.00 0.60 -0.05 0.00 -1.01 0.00 0.00 55.97 55.51 1b6k s LYS 41 Cb 0.00 -2.19 -0.01 0.00 -1.01 0.00 0.00 37.83 34.62 1b6k s LYS 41 CO 0.00 -0.39 0.10 1.67 0.51 0.00 0.00 175.35 177.23 1b6k s TRP 42 N -2.93 0.14 -0.06 3.18 1.48 -1.26 -4.58 118.94 114.90 1b6k s TRP 42 Ca 0.53 -0.35 0.05 0.00 -1.06 0.00 0.00 56.10 55.28 1b6k s TRP 42 Cb -0.11 -0.11 -0.01 0.00 -1.16 0.00 0.00 33.47 32.09 1b6k s TRP 42 CO 0.47 -0.30 -0.24 0.15 -4.06 0.00 0.00 176.95 172.97 1b6k s LYS 43 N -1.90 2.56 0.30 3.25 -0.14 -0.90 -4.88 119.74 118.03 1b6k s LYS 43 Ca -0.11 -0.86 -0.29 0.00 -1.36 0.00 0.00 55.97 53.35 1b6k s LYS 43 Cb -0.05 -2.11 -0.10 0.00 -1.68 0.00 0.00 37.83 33.88 1b6k s LYS 43 CO -0.01 0.32 1.37 -1.25 -0.76 0.00 0.00 175.35 175.01 1b6k s PRO 44 N -0.02 4.31 0.13 -1.68 0.04 -1.26 -0.56 135.00 135.95 1b6k s PRO 44 Ca -0.07 2.27 -0.03 0.00 0.04 0.00 0.00 61.00 63.21 1b6k s PRO 44 Cb -0.14 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 1b6k s PRO 44 CO 0.05 -0.30 0.10 0.15 0.04 0.00 0.00 177.00 177.04 1b6k s LYS 45 N -1.29 0.95 -0.08 4.56 1.02 -0.01 -4.88 119.74 120.01 1b6k s LYS 45 Ca 0.53 -1.37 0.01 0.00 0.02 0.00 0.00 55.97 55.16 1b6k s LYS 45 Cb -0.41 0.27 0.02 0.00 -0.52 0.00 0.00 37.83 37.19 1b6k s LYS 45 CO 0.50 -0.28 -0.08 -1.64 -0.92 0.00 0.00 175.35 172.93 1b6k s MET 46 N -4.02 1.41 0.23 1.68 -1.94 -1.26 -0.03 119.30 115.35 1b6k s MET 46 Ca 0.21 -0.26 0.10 0.00 -1.71 0.00 0.00 55.69 54.04 1b6k s MET 46 Cb 0.07 -1.37 -0.05 0.00 2.01 0.00 0.00 34.83 35.49 1b6k s MET 46 CO 0.01 -0.14 -0.18 0.96 -0.01 0.00 0.00 175.02 175.65 1b6k s ILE 47 N 1.27 2.08 -0.11 2.53 -4.36 -0.74 -4.97 121.20 116.90 1b6k s ILE 47 Ca -0.04 -2.22 -0.05 0.00 -0.26 0.00 0.00 60.65 58.08 1b6k s ILE 47 Cb -0.14 -2.11 0.05 0.00 1.25 0.00 0.00 42.46 41.51 1b6k s ILE 47 CO -0.03 -0.43 0.25 -0.83 0.24 0.00 0.00 174.94 174.14 1b6k s GLY 48 N -3.22 -0.13 0.00 6.27 0.00 -1.26 -0.55 107.32 108.43 1b6k s GLY 48 Ca 0.24 0.98 0.00 0.00 0.00 0.00 0.00 44.72 45.94 1b6k s GLY 48 CO 0.10 1.50 0.00 0.61 0.00 0.00 0.00 173.10 175.31 1b6k n GLY 49 N 4.61 5.07 3.75 0.20 0.00 -0.88 -4.94 105.19 113.00 1b6k n GLY 49 Ca -0.19 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 1b6k n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1b6k s ILE 50 N 1.92 3.70 0.00 -0.61 -5.25 -1.26 -2.77 121.20 116.93 1b6k s ILE 50 Ca 0.00 1.54 0.00 0.00 -0.99 0.00 0.00 60.65 61.20 1b6k s ILE 50 Cb 0.00 -3.98 0.00 0.00 2.95 0.00 0.00 42.46 41.43 1b6k s ILE 50 CO 0.00 0.30 0.00 0.61 -1.79 0.00 0.00 174.94 174.06 1b6k n GLY 51 N 1.77 2.91 0.00 6.27 0.00 -1.26 -4.99 105.19 109.89 1b6k n GLY 51 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1b6k n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b6k n GLY 52 N -0.99 0.87 3.89 -0.02 0.00 -1.12 -5.10 105.19 102.73 1b6k n GLY 52 Ca 0.00 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 1b6k n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b6k s PHE 53 N -1.29 3.56 0.10 1.61 0.40 -1.26 -2.08 117.98 119.03 1b6k s PHE 53 Ca 0.00 0.46 0.05 0.00 -0.60 0.00 0.00 56.93 56.84 1b6k s PHE 53 Cb 0.00 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.59 1b6k s PHE 53 CO 0.00 0.63 -0.12 0.96 0.70 0.00 0.00 175.22 177.39 1b6k s ILE 54 N -1.31 1.09 -0.12 0.64 -4.36 0.29 -4.98 121.20 112.45 1b6k s ILE 54 Ca 0.27 -1.61 -0.16 0.00 -0.26 0.00 0.00 60.65 58.89 1b6k s ILE 54 Cb -0.13 -1.36 -0.05 0.00 1.25 0.00 0.00 42.46 42.18 1b6k s ILE 54 CO 0.17 -0.46 0.40 -1.59 0.24 0.00 0.00 174.94 173.70 1b6k s LYS 55 N -2.57 4.25 0.27 0.37 0.00 -1.26 -1.79 119.74 119.01 1b6k s LYS 55 Ca 0.05 0.32 0.04 0.00 0.00 0.00 0.00 55.97 56.38 1b6k s LYS 55 Cb -0.05 -3.40 -0.06 0.00 0.00 0.00 0.00 37.83 34.32 1b6k s LYS 55 CO 0.01 0.26 0.01 0.14 0.00 0.00 0.00 175.35 175.77 1b6k s VAL 56 N 0.34 1.19 -0.19 1.79 -7.23 0.95 -4.53 120.40 112.72 1b6k s VAL 56 Ca 0.22 -2.04 -0.06 0.00 -1.81 0.00 0.00 61.98 58.29 1b6k s VAL 56 Cb -0.15 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 1b6k s VAL 56 CO 0.08 -0.20 0.02 -0.13 -0.31 0.00 0.00 175.10 174.56 1b6k s ARG 57 N -3.85 3.76 -0.35 4.82 0.52 0.10 -0.83 118.95 123.12 1b6k s ARG 57 Ca 0.32 -0.46 -0.14 0.00 -0.52 0.00 0.00 55.73 54.93 1b6k s ARG 57 Cb 0.06 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.41 1b6k s ARG 57 CO 0.12 0.14 0.32 -1.14 0.02 0.00 0.00 175.30 174.76 1b6k s GLN 58 N 0.69 3.49 -0.19 3.54 0.74 0.27 -0.82 119.66 127.38 1b6k s GLN 58 Ca 0.01 -0.54 -0.05 0.00 0.05 0.00 0.00 55.36 54.83 1b6k s GLN 58 Cb -0.14 -3.82 -0.03 0.00 1.10 0.00 0.00 33.01 30.12 1b6k s GLN 58 CO 0.02 -0.52 0.01 0.71 -0.55 0.00 0.00 175.29 174.96 1b6k s TYR 59 N 1.91 3.09 0.23 1.67 1.51 -0.43 -2.13 117.35 123.19 1b6k s TYR 59 Ca 0.10 -0.29 0.03 0.00 -1.01 0.00 0.00 57.07 55.89 1b6k s TYR 59 Cb -0.17 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.58 1b6k s TYR 59 CO 0.11 -0.12 0.38 -0.51 -1.11 0.00 0.00 175.55 174.30 1b6k s ASP 60 N 0.78 6.33 -1.49 2.29 1.01 -1.26 -0.93 116.67 123.39 1b6k s ASP 60 Ca 0.01 0.19 -0.04 0.00 0.71 0.00 0.00 52.55 53.42 1b6k s ASP 60 Cb -0.14 -1.91 0.03 0.00 1.01 0.00 0.00 42.92 41.91 1b6k s ASP 60 CO 0.02 -0.07 0.41 0.00 0.21 0.00 0.00 175.17 175.74 1b6k n GLN 61 N -1.18 -2.81 -3.41 8.23 6.02 -1.16 -4.90 117.38 118.17 1b6k n GLN 61 Ca -0.07 0.34 -0.38 0.00 -0.01 0.00 0.00 57.00 56.87 1b6k n GLN 61 Cb 0.56 -4.46 -0.08 0.00 1.02 0.00 0.00 30.24 27.28 1b6k n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1b6k s ILE 62 N -3.91 5.21 0.06 5.09 -1.09 0.73 -4.71 121.20 122.58 1b6k s ILE 62 Ca 0.15 0.66 -0.31 0.00 -2.23 0.00 0.00 60.65 58.92 1b6k s ILE 62 Cb -0.08 -3.71 -0.06 0.00 -1.58 0.00 0.00 42.46 37.04 1b6k s ILE 62 CO 0.92 0.26 1.23 -2.84 -1.23 0.00 0.00 174.94 173.27 1b6k s PRO 63 N 1.28 4.41 -0.02 2.79 0.02 -1.26 -1.50 135.00 140.71 1b6k s PRO 63 Ca 0.18 1.80 0.02 0.00 0.02 0.00 0.00 61.00 63.02 1b6k s PRO 63 Cb -0.15 -3.35 0.01 0.00 0.02 0.00 0.00 34.50 31.03 1b6k s PRO 63 CO 0.08 -0.30 -0.07 0.08 -0.33 0.00 0.00 177.00 176.46 1b6k s VAL 64 N 1.17 0.64 -0.31 3.83 1.01 0.65 -4.43 120.40 122.97 1b6k s VAL 64 Ca 0.59 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 1b6k s VAL 64 Cb -0.30 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.51 1b6k s VAL 64 CO 0.29 0.21 0.08 -0.70 0.00 0.00 0.00 175.10 174.98 1b6k s GLU 65 N 0.29 2.86 -0.38 2.72 2.12 -0.67 -0.91 118.70 124.73 1b6k s GLU 65 Ca -0.04 -1.01 0.06 0.00 0.36 0.00 0.00 54.97 54.34 1b6k s GLU 65 Cb -0.09 -3.38 0.56 0.00 0.26 0.00 0.00 34.13 31.49 1b6k s GLU 65 CO 0.00 -0.54 1.67 -0.89 -0.54 0.00 0.00 175.26 174.97 1b6k n ILE 66 N 4.83 2.89 0.00 -3.70 5.41 -1.26 -1.10 119.36 126.42 1b6k n ILE 66 Ca -0.14 -2.52 0.00 0.00 1.00 0.00 0.00 62.75 61.10 1b6k n ILE 66 Cb 0.46 -0.47 0.00 0.00 -0.71 0.00 0.00 39.64 38.92 1b6k n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1b6k n GLY 68 N -1.11 0.00 3.73 7.39 0.00 -1.26 -4.75 105.19 109.19 1b6k n GLY 68 Ca 0.46 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.13 1b6k n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1b6k s HIS 69 N 0.00 3.40 0.29 1.61 4.02 -1.26 -5.08 115.29 118.27 1b6k s HIS 69 Ca 0.00 0.31 -0.26 0.00 1.02 0.00 0.00 55.06 56.13 1b6k s HIS 69 Cb 0.00 -2.14 -0.09 0.00 -1.02 0.00 0.00 32.58 29.32 1b6k s HIS 69 CO 0.00 0.30 0.92 -1.59 1.02 0.00 0.00 174.74 175.38 1b6k s LYS 70 N 0.30 4.61 0.00 1.40 0.00 -1.26 -4.29 119.74 120.51 1b6k s LYS 70 Ca 0.08 1.31 -0.16 0.00 0.00 0.00 0.00 55.97 57.21 1b6k s LYS 70 Cb -0.11 -2.93 0.03 0.00 0.00 0.00 0.00 37.83 34.81 1b6k s LYS 70 CO -0.02 0.36 0.34 0.00 0.00 0.00 0.00 175.35 176.03 1b6k s ALA 71 N -1.49 -0.83 -0.15 0.59 0.00 -0.09 -4.67 121.76 115.12 1b6k s ALA 71 Ca 0.47 0.30 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 1b6k s ALA 71 Cb -0.20 0.16 0.06 0.00 0.00 0.00 0.00 23.12 23.14 1b6k s ALA 71 CO 0.25 -0.32 0.13 0.42 0.00 0.00 0.00 175.76 176.24 1b6k s ILE 72 N -1.73 -0.18 0.00 0.00 1.01 -1.26 -0.25 121.20 118.79 1b6k s ILE 72 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.52 1b6k s ILE 72 Cb -0.03 -0.52 0.00 0.00 0.01 0.00 0.00 42.46 41.91 1b6k s ILE 72 CO 0.02 -0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.41 1b6k n GLY 73 N 5.30 2.26 3.73 6.18 0.00 -0.56 -4.79 105.19 117.30 1b6k n GLY 73 Ca -0.06 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1b6k n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b6k s THR 74 N -2.79 4.52 -0.06 2.61 2.01 -1.26 -0.20 115.64 120.46 1b6k s THR 74 Ca 0.00 2.07 0.01 0.00 0.31 0.00 0.00 61.69 64.08 1b6k s THR 74 Cb 0.00 -4.32 0.02 0.00 0.01 0.00 0.00 72.50 68.21 1b6k s THR 74 CO 0.00 0.31 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.48 1b6k s VAL 75 N 0.05 0.81 -0.15 3.82 1.01 -0.11 -4.52 120.40 121.31 1b6k s VAL 75 Ca 0.47 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 62.06 1b6k s VAL 75 Cb -0.23 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 1b6k s VAL 75 CO 0.30 0.30 0.27 -0.76 0.00 0.00 0.00 175.10 175.20 1b6k s LEU 76 N 1.01 4.27 -0.19 3.92 1.43 -0.01 -1.32 118.68 127.79 1b6k s LEU 76 Ca -0.09 0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 53.49 1b6k s LEU 76 Cb -0.14 -2.33 -0.01 0.00 0.03 0.00 0.00 46.19 43.73 1b6k s LEU 76 CO -0.00 0.15 -0.07 -0.69 0.23 0.00 0.00 176.35 175.98 1b6k s VAL 77 N 0.19 3.36 0.08 -1.59 1.01 -0.00 0.05 120.40 123.50 1b6k s VAL 77 Ca 0.16 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 1b6k s VAL 77 Cb -0.13 -2.49 0.04 0.00 0.00 0.00 0.00 36.38 33.80 1b6k s VAL 77 CO 0.04 0.46 0.53 0.61 0.00 0.00 0.00 175.10 176.74 1b6k n GLY 78 N 4.26 0.88 2.94 4.51 0.00 -0.57 -0.72 105.19 116.50 1b6k n GLY 78 Ca -0.18 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 1b6k n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b6k n PRO 79 N -0.37 1.87 -3.94 1.61 -0.04 -1.26 -2.87 135.00 130.01 1b6k n PRO 79 Ca -0.01 -1.93 -0.36 0.00 -0.04 0.00 0.00 63.50 61.17 1b6k n PRO 79 Cb 0.29 -2.91 -0.06 0.00 -0.04 0.00 0.00 33.50 30.78 1b6k n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1b6k s THR 80 N 4.39 5.36 0.26 0.52 -1.32 -1.26 -5.00 115.64 118.59 1b6k s THR 80 Ca 0.53 0.05 0.37 0.00 -1.21 0.00 0.00 61.69 61.43 1b6k s THR 80 Cb 0.14 -3.38 0.40 0.00 -1.51 0.00 0.00 72.50 68.15 1b6k s THR 80 CO 0.06 0.53 2.10 1.55 -2.21 0.00 0.00 174.62 176.65 1b6k h PRO 81 N 4.66 0.00 -3.11 7.08 0.13 -1.99 -3.45 132.00 135.33 1b6k h PRO 81 Ca -0.53 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.51 1b6k h PRO 81 Cb 1.21 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.17 1b6k h PRO 81 CO 0.61 0.00 -0.20 0.08 -0.23 0.00 0.00 178.00 178.26 1b6k s VAL 82 N -3.82 0.07 -0.05 1.56 1.01 -1.26 -5.13 120.40 112.78 1b6k s VAL 82 Ca -0.01 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 1b6k s VAL 82 Cb 0.10 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 1b6k s VAL 82 CO 0.48 -0.30 1.22 0.20 0.00 0.00 0.00 175.10 176.70 1b6k s ASN 83 N -1.83 7.03 -0.14 3.32 0.01 -1.26 -4.73 114.94 117.33 1b6k s ASN 83 Ca -0.07 1.84 0.01 0.00 -0.71 0.00 0.00 52.86 53.93 1b6k s ASN 83 Cb -0.02 -2.56 -0.00 0.00 0.41 0.00 0.00 41.25 39.08 1b6k s ASN 83 CO -0.01 -0.60 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.18 1b6k s ILE 84 N 2.28 2.60 -0.41 0.60 1.01 0.71 -0.29 121.20 127.70 1b6k s ILE 84 Ca 0.57 -0.80 -0.13 0.00 0.00 0.00 0.00 60.65 60.28 1b6k s ILE 84 Cb -0.25 -2.08 0.04 0.00 0.01 0.00 0.00 42.46 40.18 1b6k s ILE 84 CO 0.22 0.53 0.27 -0.63 0.00 0.00 0.00 174.94 175.33 1b6k s ILE 85 N 0.62 4.91 0.60 2.92 -1.09 0.02 -1.39 121.20 127.80 1b6k s ILE 85 Ca -0.09 -0.86 -0.01 0.00 -2.23 0.00 0.00 60.65 57.46 1b6k s ILE 85 Cb -0.16 -3.79 0.12 0.00 -1.58 0.00 0.00 42.46 37.05 1b6k s ILE 85 CO 0.03 -0.34 0.83 0.61 -1.23 0.00 0.00 174.94 174.84 1b6k n GLY 86 N 5.08 0.49 0.31 6.18 0.00 -1.18 -1.44 105.19 114.62 1b6k n GLY 86 Ca -0.11 -1.99 0.14 0.00 0.00 0.00 0.00 46.02 44.05 1b6k n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1b6k h ARG 87 N 0.00 0.00 -0.30 1.61 3.08 -0.96 -1.91 114.38 115.90 1b6k h ARG 87 Ca -0.27 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.79 1b6k h ARG 87 Cb 0.98 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 1b6k h ARG 87 CO 0.28 0.00 0.20 -2.95 -1.07 0.00 0.00 179.97 176.43 1b6k h ASN 88 N 0.00 0.32 0.03 7.04 -1.07 -1.77 -1.84 115.58 118.29 1b6k h ASN 88 Ca 0.07 -0.01 -0.37 0.00 0.07 0.00 0.00 56.30 56.06 1b6k h ASN 88 Cb 0.31 -0.08 -0.07 0.00 -2.07 0.00 0.00 38.32 36.42 1b6k h ASN 88 CO -0.00 0.23 -2.36 0.18 0.07 0.00 0.00 177.43 175.55 1b6k n LEU 89 N -4.49 0.38 -0.13 6.14 4.77 -0.91 -4.19 117.00 118.57 1b6k n LEU 89 Ca 0.02 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1b6k n LEU 89 Cb 0.09 0.32 0.28 0.00 -2.33 0.00 0.00 43.42 41.78 1b6k n LEU 89 CO 0.35 0.54 1.13 -0.07 -1.33 0.00 0.00 177.39 178.01 1b6k h LEU 90 N 0.00 0.72 -0.81 2.23 3.38 -1.20 -2.22 115.31 117.40 1b6k h LEU 90 Ca -0.54 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.26 1b6k h LEU 90 Cb 2.20 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.75 1b6k h LEU 90 CO 0.02 0.59 -0.32 0.71 0.09 0.00 0.00 178.44 179.53 1b6k h THR 91 N 0.81 1.28 -0.30 0.22 1.35 -1.53 -2.77 112.91 111.97 1b6k h THR 91 Ca 0.21 -1.41 -0.04 0.00 -0.55 0.00 0.00 66.41 64.61 1b6k h THR 91 Cb 0.04 1.44 -0.02 0.00 -1.73 0.00 0.00 68.15 67.88 1b6k h THR 91 CO -0.03 0.45 0.02 1.56 -0.25 0.00 0.00 175.52 177.26 1b6k h GLN 92 N 0.45 0.44 -0.28 4.72 4.20 -1.57 -2.16 115.11 120.91 1b6k h GLN 92 Ca 0.05 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1b6k h GLN 92 Cb 0.78 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1b6k h GLN 92 CO 0.06 0.46 0.00 0.44 -0.67 0.00 0.00 178.83 179.12 1b6k n ILE 93 N -4.32 0.37 -1.62 2.54 -5.35 -1.12 -4.97 119.36 104.87 1b6k n ILE 93 Ca 0.01 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 61.97 1b6k n ILE 93 Cb 0.21 0.58 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 1b6k n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1b6k n GLY 94 N 1.28 -4.50 0.00 3.28 0.00 -0.82 -5.10 105.19 99.33 1b6k n GLY 94 Ca 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1b6k n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b6k n THR 96 N 1.01 0.00 -3.78 2.61 -2.24 -1.26 -5.03 114.28 105.58 1b6k n THR 96 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1b6k n THR 96 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 1b6k n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1b6k s LEU 97 N 0.00 4.29 -0.00 3.22 1.43 -1.26 -5.10 118.68 121.25 1b6k s LEU 97 Ca 0.00 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 1b6k s LEU 97 Cb 0.00 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 1b6k s LEU 97 CO 0.00 0.27 -0.06 0.20 0.23 0.00 0.00 176.35 176.99 1b6k s ASN 98 N -0.21 0.73 0.00 2.29 0.01 -1.26 -5.30 114.94 111.20 1b6k s ASN 98 Ca 0.11 -0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.12 1b6k s ASN 98 Cb -0.11 -0.07 0.00 0.00 0.41 0.00 0.00 41.25 41.47 1b6k s ASN 98 CO 0.01 0.06 0.00 2.22 -1.51 0.00 0.00 177.10 177.88