#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b6p s GLN 2 N 0.00 2.91 -0.19 -0.52 0.74 -1.26 -5.08 119.66 116.26 1b6p s GLN 2 Ca 0.00 -1.02 -0.08 0.00 0.05 0.00 0.00 55.36 54.30 1b6p s GLN 2 Cb 0.00 -3.70 -0.04 0.00 1.10 0.00 0.00 33.01 30.36 1b6p s GLN 2 CO 0.00 -0.65 0.09 0.42 -0.55 0.00 0.00 175.29 174.60 1b6p s ILE 3 N 1.56 5.07 0.41 -2.34 1.01 -1.26 -5.10 121.20 120.54 1b6p s ILE 3 Ca 0.02 0.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.71 1b6p s ILE 3 Cb -0.19 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 1b6p s ILE 3 CO 0.07 0.46 0.66 0.42 0.00 0.00 0.00 174.94 176.55 1b6p s THR 4 N 0.31 5.01 -0.33 2.92 -4.23 -1.26 -5.03 115.64 113.03 1b6p s THR 4 Ca 0.06 -0.13 0.09 0.00 -1.18 0.00 0.00 61.69 60.52 1b6p s THR 4 Cb -0.12 -3.86 0.65 0.00 1.34 0.00 0.00 72.50 70.51 1b6p s THR 4 CO -0.01 -0.69 1.71 0.18 -0.54 0.00 0.00 174.62 175.27 1b6p n LEU 5 N -1.99 5.55 0.19 4.79 4.77 -1.26 -4.45 117.00 124.60 1b6p n LEU 5 Ca -0.02 -3.43 0.04 0.00 -0.03 0.00 0.00 56.01 52.57 1b6p n LEU 5 Cb 0.56 -0.72 0.38 0.00 -2.33 0.00 0.00 43.42 41.30 1b6p n LEU 5 CO 0.51 0.96 0.71 -0.50 -1.33 0.00 0.00 177.39 177.74 1b6p h TRP 6 N 1.75 0.00 -2.74 -1.77 4.06 -2.06 -3.43 115.95 111.76 1b6p h TRP 6 Ca 0.32 0.00 -0.48 0.00 2.06 0.00 0.00 58.89 60.79 1b6p h TRP 6 Cb 2.22 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 30.24 1b6p h TRP 6 CO 1.22 0.37 -0.69 0.15 -3.56 0.00 0.00 178.44 175.93 1b6p s LYS 7 N -3.91 1.48 0.24 0.49 1.02 -1.26 -5.10 119.74 112.70 1b6p s LYS 7 Ca -0.02 -1.73 -0.31 0.00 0.02 0.00 0.00 55.97 53.94 1b6p s LYS 7 Cb 0.13 -1.12 -0.12 0.00 -0.52 0.00 0.00 37.83 36.20 1b6p s LYS 7 CO 0.70 0.07 1.65 1.03 -0.92 0.00 0.00 175.35 177.88 1b6p s ARG 8 N -3.71 4.13 -0.80 1.68 0.52 -1.26 -4.83 118.95 114.67 1b6p s ARG 8 Ca 0.28 2.57 -0.22 0.00 -0.52 0.00 0.00 55.73 57.84 1b6p s ARG 8 Cb 0.03 -3.06 -0.15 0.00 0.52 0.00 0.00 34.95 32.29 1b6p s ARG 8 CO 0.10 -0.69 1.94 -0.35 0.02 0.00 0.00 175.30 176.33 1b6p n PRO 9 N 3.21 1.57 -3.34 3.54 -0.04 -1.26 -4.91 135.00 133.77 1b6p n PRO 9 Ca 0.12 -1.88 -0.38 0.00 -0.04 0.00 0.00 63.50 61.32 1b6p n PRO 9 Cb 0.36 -2.93 -0.06 0.00 -0.04 0.00 0.00 33.50 30.83 1b6p n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1b6p s LEU 10 N 1.20 4.42 0.09 1.53 1.43 -1.26 -1.40 118.68 124.70 1b6p s LEU 10 Ca 0.57 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.70 1b6p s LEU 10 Cb 0.14 -2.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 1b6p s LEU 10 CO 0.11 0.18 -0.02 0.68 0.23 0.00 0.00 176.35 177.53 1b6p s VAL 11 N -0.45 0.40 -0.04 -1.59 -7.23 -0.04 -4.94 120.40 106.51 1b6p s VAL 11 Ca 0.27 -1.88 -0.19 0.00 -1.81 0.00 0.00 61.98 58.36 1b6p s VAL 11 Cb -0.17 -1.73 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 1b6p s VAL 11 CO 0.15 -0.81 0.54 -0.89 -0.31 0.00 0.00 175.10 173.77 1b6p s THR 12 N -3.82 5.02 0.18 5.32 2.01 -1.26 -0.07 115.64 123.02 1b6p s THR 12 Ca 0.13 1.11 0.08 0.00 0.31 0.00 0.00 61.69 63.32 1b6p s THR 12 Cb 0.07 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1b6p s THR 12 CO -0.05 0.40 -0.16 0.27 -0.69 0.00 0.00 174.62 174.40 1b6p s ILE 13 N -0.01 1.74 -0.13 1.82 -4.36 0.11 -4.70 121.20 115.67 1b6p s ILE 13 Ca 0.29 -2.07 0.02 0.00 -0.26 0.00 0.00 60.65 58.63 1b6p s ILE 13 Cb -0.17 -1.93 0.01 0.00 1.25 0.00 0.00 42.46 41.62 1b6p s ILE 13 CO 0.15 -0.48 -0.19 -0.60 0.24 0.00 0.00 174.94 174.05 1b6p s ARG 14 N -3.26 2.73 -0.08 0.37 3.52 -0.53 -0.48 118.95 121.23 1b6p s ARG 14 Ca 0.19 -0.75 -0.04 0.00 -0.13 0.00 0.00 55.73 55.00 1b6p s ARG 14 Cb -0.03 -2.26 0.04 0.00 -1.56 0.00 0.00 34.95 31.14 1b6p s ARG 14 CO 0.07 -0.06 0.18 -1.50 -0.81 0.00 0.00 175.30 173.17 1b6p s ILE 15 N 0.95 -0.04 -1.66 4.11 2.07 0.28 -1.73 121.20 125.19 1b6p s ILE 15 Ca -0.05 0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.32 1b6p s ILE 15 Cb -0.15 -0.28 0.00 0.00 0.13 0.00 0.00 42.46 42.16 1b6p s ILE 15 CO -0.03 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 1b6p n GLY 16 N 3.94 0.07 2.20 1.50 0.00 -1.26 -1.37 105.19 110.27 1b6p n GLY 16 Ca -0.23 -0.12 -0.00 0.00 0.00 0.00 0.00 46.02 45.67 1b6p n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b6p n GLY 17 N -0.95 0.43 3.29 -0.02 0.00 -1.26 -5.02 105.19 101.65 1b6p n GLY 17 Ca -0.21 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 1b6p n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1b6p s GLN 18 N -0.61 1.55 0.03 1.61 -2.07 -0.47 -5.12 119.66 114.57 1b6p s GLN 18 Ca 0.00 -1.00 -0.18 0.00 -1.82 0.00 0.00 55.36 52.36 1b6p s GLN 18 Cb 0.00 -1.68 -0.06 0.00 -1.09 0.00 0.00 33.01 30.17 1b6p s GLN 18 CO 0.00 0.43 0.52 -0.51 -1.32 0.00 0.00 175.29 174.41 1b6p s LEU 19 N -1.19 4.48 0.13 2.60 2.01 -1.26 -0.56 118.68 124.90 1b6p s LEU 19 Ca 0.09 1.14 -0.07 0.00 0.01 0.00 0.00 54.13 55.30 1b6p s LEU 19 Cb -0.09 -2.80 -0.02 0.00 0.01 0.00 0.00 46.19 43.29 1b6p s LEU 19 CO 0.02 0.25 0.19 -0.54 1.01 0.00 0.00 176.35 177.27 1b6p s LYS 20 N -0.86 0.99 -0.10 1.70 1.02 0.37 -4.97 119.74 117.89 1b6p s LYS 20 Ca 0.28 -1.18 -0.08 0.00 0.02 0.00 0.00 55.97 55.01 1b6p s LYS 20 Cb -0.18 0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 37.41 1b6p s LYS 20 CO 0.17 -0.32 0.17 -1.21 -0.92 0.00 0.00 175.35 173.23 1b6p s GLU 21 N -3.96 3.49 -0.01 1.68 0.41 -1.26 0.05 118.70 119.10 1b6p s GLU 21 Ca 0.15 -0.08 -0.05 0.00 -0.41 0.00 0.00 54.97 54.58 1b6p s GLU 21 Cb 0.05 -3.19 0.00 0.00 -1.78 0.00 0.00 34.13 29.21 1b6p s GLU 21 CO -0.03 0.76 0.11 0.00 -0.49 0.00 0.00 175.26 175.61 1b6p s ALA 22 N -1.05 -0.26 -0.16 5.21 0.00 0.90 -4.43 121.76 121.98 1b6p s ALA 22 Ca 0.17 -0.02 -0.21 0.00 0.00 0.00 0.00 51.96 51.90 1b6p s ALA 22 Cb -0.13 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1b6p s ALA 22 CO 0.06 -0.15 0.61 -1.17 0.00 0.00 0.00 175.76 175.11 1b6p s LEU 23 N -0.87 4.20 -0.63 0.00 2.96 0.32 -0.86 118.68 123.80 1b6p s LEU 23 Ca -0.10 0.89 -0.28 0.00 -0.22 0.00 0.00 54.13 54.42 1b6p s LEU 23 Cb -0.06 -2.88 0.03 0.00 0.50 0.00 0.00 46.19 43.78 1b6p s LEU 23 CO 0.01 -0.19 1.22 -0.76 -1.32 0.00 0.00 176.35 175.31 1b6p s LEU 24 N 1.46 3.36 -0.36 -0.68 1.43 -0.49 -0.84 118.68 122.56 1b6p s LEU 24 Ca 0.30 -0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.29 1b6p s LEU 24 Cb -0.16 -2.98 0.06 0.00 0.03 0.00 0.00 46.19 43.14 1b6p s LEU 24 CO 0.12 -1.59 0.13 -0.62 0.23 0.00 0.00 176.35 174.61 1b6p s ASP 25 N 3.22 5.27 0.17 2.29 -1.08 -0.51 -4.80 116.67 121.22 1b6p s ASP 25 Ca 0.41 -1.42 0.26 0.00 -0.52 0.00 0.00 52.55 51.28 1b6p s ASP 25 Cb -0.08 -1.85 0.91 0.00 -1.46 0.00 0.00 42.92 40.44 1b6p s ASP 25 CO 0.22 -0.40 1.79 0.35 0.52 0.00 0.00 175.17 177.66 1b6p n THR 26 N 4.74 0.51 0.09 1.71 -2.24 -1.26 -2.94 114.28 114.90 1b6p n THR 26 Ca -0.10 -0.17 0.08 0.00 -2.27 0.00 0.00 64.05 61.58 1b6p n THR 26 Cb 0.43 -0.63 0.26 0.00 -2.10 0.00 0.00 70.33 68.29 1b6p n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b6p n GLY 27 N 1.20 1.82 3.25 3.38 0.00 -1.26 -4.85 105.19 108.73 1b6p n GLY 27 Ca 0.06 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 1b6p n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b6p s ALA 28 N -1.53 2.49 0.16 4.61 0.00 -1.15 -5.00 121.76 121.34 1b6p s ALA 28 Ca 0.38 -1.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.17 1b6p s ALA 28 Cb 0.22 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 22.09 1b6p s ALA 28 CO 0.22 -0.11 1.47 -0.44 0.00 0.00 0.00 175.76 176.89 1b6p h ASP 29 N 7.47 0.87 -1.67 0.00 3.32 -1.88 0.47 116.42 124.99 1b6p h ASP 29 Ca -0.35 -0.44 -0.58 0.00 0.02 0.00 0.00 57.03 55.68 1b6p h ASP 29 Cb 1.18 -0.25 -0.09 0.00 0.22 0.00 0.00 39.33 40.39 1b6p h ASP 29 CO 0.58 1.21 -0.53 -1.81 -1.72 0.00 0.00 179.24 176.97 1b6p s ASP 30 N -6.91 4.33 -0.25 6.45 1.01 -1.26 -2.99 116.67 117.04 1b6p s ASP 30 Ca -0.10 -1.09 -0.10 0.00 0.71 0.00 0.00 52.55 51.98 1b6p s ASP 30 Cb 0.11 -0.49 -0.04 0.00 1.01 0.00 0.00 42.92 43.50 1b6p s ASP 30 CO 0.87 -0.47 0.14 -0.89 0.21 0.00 0.00 175.17 175.03 1b6p s THR 31 N -2.59 5.01 -0.17 -1.27 2.01 -1.26 -3.05 115.64 114.31 1b6p s THR 31 Ca 0.39 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.46 1b6p s THR 31 Cb 0.04 -3.35 0.02 0.00 0.01 0.00 0.00 72.50 69.22 1b6p s THR 31 CO 0.21 0.32 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.59 1b6p s VAL 32 N 1.41 1.95 0.02 3.82 1.01 -0.23 -0.73 120.40 127.65 1b6p s VAL 32 Ca 0.06 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1b6p s VAL 32 Cb -0.15 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1b6p s VAL 32 CO 0.06 0.51 -0.03 -0.63 0.00 0.00 0.00 175.10 175.02 1b6p s ILE 33 N 1.33 3.91 0.67 2.22 -1.09 0.18 -0.18 121.20 128.25 1b6p s ILE 33 Ca 0.05 -0.77 -0.17 0.00 -2.23 0.00 0.00 60.65 57.53 1b6p s ILE 33 Cb -0.13 -2.76 -0.00 0.00 -1.58 0.00 0.00 42.46 37.99 1b6p s ILE 33 CO -0.12 0.32 1.26 -1.84 -1.23 0.00 0.00 174.94 173.33 1b6p n GLU 34 N 1.26 1.00 -1.69 2.79 0.28 -1.26 -0.98 120.64 122.04 1b6p n GLU 34 Ca -0.14 0.40 -0.60 0.00 -0.16 0.00 0.00 57.16 56.66 1b6p n GLU 34 Cb 0.52 -2.50 -0.08 0.00 1.43 0.00 0.00 31.44 30.81 1b6p n GLU 34 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1b6p n GLU 35 N -2.01 0.76 -3.58 3.44 0.28 -1.04 -4.55 120.64 113.95 1b6p n GLU 35 Ca 0.16 0.28 -0.10 0.00 -0.16 0.00 0.00 57.16 57.34 1b6p n GLU 35 Cb 0.48 -1.90 -0.02 0.00 1.43 0.00 0.00 31.44 31.44 1b6p n GLU 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1b6p s MET 36 N 2.80 1.38 -0.28 3.44 0.00 -1.26 -5.01 119.30 120.37 1b6p s MET 36 Ca 0.98 -0.62 -0.27 0.00 0.00 0.00 0.00 55.69 55.79 1b6p s MET 36 Cb -1.19 0.56 0.01 0.00 0.00 0.00 0.00 34.83 34.21 1b6p s MET 36 CO 0.67 -0.62 0.94 -0.80 0.00 0.00 0.00 175.02 175.22 1b6p s ASN 37 N -2.79 6.88 -0.12 -1.18 0.01 -1.26 -5.03 114.94 111.46 1b6p s ASN 37 Ca 0.05 1.03 0.02 0.00 -0.71 0.00 0.00 52.86 53.26 1b6p s ASN 37 Cb -0.03 -2.48 0.01 0.00 0.41 0.00 0.00 41.25 39.16 1b6p s ASN 37 CO -0.06 -0.68 -0.20 -0.76 -1.51 0.00 0.00 177.10 173.90 1b6p s LEU 38 N 3.18 1.96 0.61 0.60 1.43 -1.26 -5.00 118.68 120.19 1b6p s LEU 38 Ca 0.39 -0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 52.78 1b6p s LEU 38 Cb -0.14 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 1b6p s LEU 38 CO 0.10 0.07 1.31 -2.16 0.23 0.00 0.00 176.35 175.90 1b6p s PRO 39 N 0.79 2.80 0.00 1.29 0.04 -1.26 -4.84 135.00 133.82 1b6p s PRO 39 Ca -0.09 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1b6p s PRO 39 Cb -0.16 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1b6p s PRO 39 CO 0.00 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.03 1b6p n GLY 40 N 0.80 2.29 3.81 0.56 0.00 -1.26 -5.04 105.19 106.35 1b6p n GLY 40 Ca 0.14 -1.95 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 1b6p n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b6p s LYS 41 N -2.78 2.93 0.02 1.61 -0.14 -1.26 -5.08 119.74 115.04 1b6p s LYS 41 Ca 0.00 1.04 -0.06 0.00 -1.36 0.00 0.00 55.97 55.59 1b6p s LYS 41 Cb 0.00 -1.99 -0.01 0.00 -1.68 0.00 0.00 37.83 34.16 1b6p s LYS 41 CO 0.00 -1.11 0.11 1.67 -0.76 0.00 0.00 175.35 175.26 1b6p s TRP 42 N -2.89 0.13 0.03 3.18 1.48 -1.26 -4.62 118.94 115.00 1b6p s TRP 42 Ca 0.60 -0.35 0.09 0.00 -1.06 0.00 0.00 56.10 55.38 1b6p s TRP 42 Cb -0.15 -0.10 -0.03 0.00 -1.16 0.00 0.00 33.47 32.03 1b6p s TRP 42 CO 0.51 -0.33 -0.25 0.15 -4.06 0.00 0.00 176.95 172.98 1b6p s LYS 43 N -2.03 1.90 0.38 3.25 -0.14 -0.87 -4.87 119.74 117.35 1b6p s LYS 43 Ca -0.10 -1.06 -0.26 0.00 -1.36 0.00 0.00 55.97 53.19 1b6p s LYS 43 Cb -0.04 -2.03 -0.09 0.00 -1.68 0.00 0.00 37.83 33.99 1b6p s LYS 43 CO -0.02 0.53 1.21 -2.14 -0.76 0.00 0.00 175.35 174.16 1b6p s PRO 44 N -1.16 4.14 0.11 -1.68 0.02 -1.26 0.22 135.00 135.39 1b6p s PRO 44 Ca 0.12 1.95 -0.15 0.00 0.02 0.00 0.00 61.00 62.94 1b6p s PRO 44 Cb -0.10 -2.80 0.03 0.00 0.02 0.00 0.00 34.50 31.64 1b6p s PRO 44 CO 0.02 -0.27 0.35 0.21 -0.33 0.00 0.00 177.00 176.98 1b6p s LYS 45 N -2.12 0.99 -0.08 5.54 2.20 -0.04 -4.84 119.74 121.39 1b6p s LYS 45 Ca 0.54 -0.71 0.03 0.00 -0.36 0.00 0.00 55.97 55.47 1b6p s LYS 45 Cb -0.33 0.43 0.01 0.00 -1.51 0.00 0.00 37.83 36.42 1b6p s LYS 45 CO 0.43 -0.37 -0.18 -1.64 -0.36 0.00 0.00 175.35 173.23 1b6p s MET 46 N -3.62 2.33 0.04 4.03 -1.94 -1.26 0.02 119.30 118.90 1b6p s MET 46 Ca 0.02 -0.65 0.05 0.00 -1.71 0.00 0.00 55.69 53.40 1b6p s MET 46 Cb 0.02 -1.83 -0.02 0.00 2.01 0.00 0.00 34.83 35.01 1b6p s MET 46 CO -0.10 0.12 -0.14 0.96 -0.01 0.00 0.00 175.02 175.84 1b6p s ILE 47 N 0.45 1.14 0.26 2.53 -4.36 -1.03 -4.98 121.20 115.21 1b6p s ILE 47 Ca -0.15 -1.06 0.07 0.00 -0.26 0.00 0.00 60.65 59.25 1b6p s ILE 47 Cb -0.16 -1.04 -0.03 0.00 1.25 0.00 0.00 42.46 42.47 1b6p s ILE 47 CO 0.06 -0.02 0.22 -0.83 0.24 0.00 0.00 174.94 174.61 1b6p s GLY 48 N -1.24 1.44 0.00 6.27 0.00 -1.26 -1.84 107.32 110.69 1b6p s GLY 48 Ca 0.01 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.30 1b6p s GLY 48 CO 0.01 -1.46 0.00 0.61 0.00 0.00 0.00 173.10 172.26 1b6p n GLY 49 N -1.22 2.73 0.41 0.20 0.00 -0.24 -4.97 105.19 102.11 1b6p n GLY 49 Ca -0.07 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 1b6p n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1b6p h ILE 50 N 0.62 0.10 -0.18 -0.61 1.08 -2.02 -2.64 117.51 113.87 1b6p h ILE 50 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1b6p h ILE 50 Cb 0.00 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 33.85 1b6p h ILE 50 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 1b6p n GLY 51 N -1.43 0.61 0.00 5.37 0.00 -1.26 -5.01 105.19 103.47 1b6p n GLY 51 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1b6p n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b6p n GLY 52 N 0.59 0.45 3.90 -0.02 0.00 -0.99 -5.07 105.19 104.05 1b6p n GLY 52 Ca 0.07 -2.29 -0.33 0.00 0.00 0.00 0.00 46.02 43.47 1b6p n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b6p s PHE 53 N -0.07 3.54 0.14 1.61 0.40 -1.26 -1.08 117.98 121.26 1b6p s PHE 53 Ca 0.00 0.44 0.03 0.00 -0.60 0.00 0.00 56.93 56.79 1b6p s PHE 53 Cb 0.00 -1.89 -0.04 0.00 0.51 0.00 0.00 43.02 41.59 1b6p s PHE 53 CO 0.00 0.59 -0.06 0.96 0.70 0.00 0.00 175.22 177.41 1b6p s ILE 54 N -1.41 0.89 -0.14 0.64 -4.36 -0.77 -4.99 121.20 111.06 1b6p s ILE 54 Ca 0.31 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.58 1b6p s ILE 54 Cb -0.13 -1.87 -0.05 0.00 1.25 0.00 0.00 42.46 41.66 1b6p s ILE 54 CO 0.21 -0.72 0.28 -0.54 0.24 0.00 0.00 174.94 174.41 1b6p s LYS 55 N -3.82 4.11 0.18 0.37 1.02 -1.26 -2.47 119.74 117.86 1b6p s LYS 55 Ca 0.17 0.09 0.03 0.00 0.02 0.00 0.00 55.97 56.28 1b6p s LYS 55 Cb 0.04 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.94 1b6p s LYS 55 CO -0.00 0.37 -0.04 0.14 -0.92 0.00 0.00 175.35 174.89 1b6p s VAL 56 N 0.08 0.96 -0.23 3.17 -7.23 0.10 -4.49 120.40 112.75 1b6p s VAL 56 Ca 0.17 -2.02 -0.10 0.00 -1.81 0.00 0.00 61.98 58.22 1b6p s VAL 56 Cb -0.13 -2.06 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 1b6p s VAL 56 CO 0.05 -0.56 0.14 -0.13 -0.31 0.00 0.00 175.10 174.29 1b6p s ARG 57 N -3.83 4.03 -0.36 4.82 0.52 0.43 -0.86 118.95 123.70 1b6p s ARG 57 Ca 0.22 -0.29 -0.16 0.00 -0.52 0.00 0.00 55.73 54.97 1b6p s ARG 57 Cb 0.05 -3.48 -0.00 0.00 0.52 0.00 0.00 34.95 32.03 1b6p s ARG 57 CO 0.03 0.08 0.41 -1.14 0.02 0.00 0.00 175.30 174.71 1b6p s GLN 58 N 0.99 3.49 -0.18 3.54 0.74 0.13 -0.84 119.66 127.54 1b6p s GLN 58 Ca 0.07 -0.41 -0.05 0.00 0.05 0.00 0.00 55.36 55.01 1b6p s GLN 58 Cb -0.13 -3.84 -0.03 0.00 1.10 0.00 0.00 33.01 30.11 1b6p s GLN 58 CO 0.04 -0.62 0.00 0.71 -0.55 0.00 0.00 175.29 174.87 1b6p s TYR 59 N 2.14 3.09 0.20 1.67 1.51 -0.57 -2.05 117.35 123.34 1b6p s TYR 59 Ca 0.14 -0.24 0.05 0.00 -1.01 0.00 0.00 57.07 56.01 1b6p s TYR 59 Cb -0.16 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 1b6p s TYR 59 CO 0.12 -0.04 0.23 -0.51 -1.11 0.00 0.00 175.55 174.24 1b6p s ASP 60 N 0.55 5.88 -1.51 2.29 1.01 -1.26 -0.77 116.67 122.86 1b6p s ASP 60 Ca -0.01 -0.05 -0.07 0.00 0.71 0.00 0.00 52.55 53.14 1b6p s ASP 60 Cb -0.14 -1.63 0.06 0.00 1.01 0.00 0.00 42.92 42.22 1b6p s ASP 60 CO 0.02 0.01 0.57 1.67 0.21 0.00 0.00 175.17 177.65 1b6p n GLN 61 N -0.82 -3.38 -3.39 8.23 7.27 -1.06 -4.88 117.38 119.36 1b6p n GLN 61 Ca -0.08 0.40 -0.38 0.00 0.07 0.00 0.00 57.00 57.01 1b6p n GLN 61 Cb 0.56 -4.76 -0.07 0.00 2.41 0.00 0.00 30.24 28.38 1b6p n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1b6p s ILE 62 N -3.71 5.21 0.06 1.69 -1.09 0.14 -4.67 121.20 118.83 1b6p s ILE 62 Ca 0.28 0.74 -0.31 0.00 -2.23 0.00 0.00 60.65 59.14 1b6p s ILE 62 Cb -0.15 -3.74 -0.05 0.00 -1.58 0.00 0.00 42.46 36.94 1b6p s ILE 62 CO 0.90 0.28 1.18 -2.84 -1.23 0.00 0.00 174.94 173.23 1b6p s PRO 63 N 1.07 4.45 -0.05 2.79 0.02 -1.26 -1.48 135.00 140.54 1b6p s PRO 63 Ca 0.20 1.74 0.01 0.00 0.02 0.00 0.00 61.00 62.97 1b6p s PRO 63 Cb -0.15 -3.35 0.02 0.00 0.02 0.00 0.00 34.50 31.04 1b6p s PRO 63 CO 0.08 -0.23 -0.04 0.08 -0.33 0.00 0.00 177.00 176.56 1b6p s VAL 64 N 1.02 0.53 -0.34 3.83 1.01 0.24 -4.52 120.40 122.17 1b6p s VAL 64 Ca 0.58 -0.11 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 1b6p s VAL 64 Cb -0.29 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1b6p s VAL 64 CO 0.29 0.23 0.22 -0.70 0.00 0.00 0.00 175.10 175.14 1b6p s GLU 65 N 0.96 3.41 -0.38 2.72 2.12 -0.70 -0.94 118.70 125.89 1b6p s GLU 65 Ca -0.10 -0.69 0.06 0.00 0.36 0.00 0.00 54.97 54.59 1b6p s GLU 65 Cb -0.14 -3.75 0.56 0.00 0.26 0.00 0.00 34.13 31.05 1b6p s GLU 65 CO -0.00 -0.46 1.65 -0.89 -0.54 0.00 0.00 175.26 175.02 1b6p n ILE 66 N 5.07 2.87 0.00 -3.70 5.41 -1.26 -1.45 119.36 126.30 1b6p n ILE 66 Ca -0.13 -2.57 0.00 0.00 1.00 0.00 0.00 62.75 61.05 1b6p n ILE 66 Cb 0.49 -0.48 0.00 0.00 -0.71 0.00 0.00 39.64 38.94 1b6p n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1b6p n GLY 68 N -1.10 0.00 3.69 7.39 0.00 -1.26 -4.72 105.19 109.19 1b6p n GLY 68 Ca 0.45 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.12 1b6p n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1b6p s HIS 69 N 0.00 3.32 0.23 1.61 4.02 -1.26 -5.09 115.29 118.12 1b6p s HIS 69 Ca 0.00 0.20 -0.20 0.00 1.02 0.00 0.00 55.06 56.08 1b6p s HIS 69 Cb 0.00 -2.05 -0.08 0.00 -1.02 0.00 0.00 32.58 29.43 1b6p s HIS 69 CO 0.00 0.29 0.74 -1.59 1.02 0.00 0.00 174.74 175.20 1b6p s LYS 70 N 0.05 4.28 -0.07 1.40 0.00 -1.26 -4.30 119.74 119.85 1b6p s LYS 70 Ca 0.07 0.91 -0.15 0.00 0.00 0.00 0.00 55.97 56.80 1b6p s LYS 70 Cb -0.12 -2.89 0.03 0.00 0.00 0.00 0.00 37.83 34.86 1b6p s LYS 70 CO 0.00 0.39 0.35 0.00 0.00 0.00 0.00 175.35 176.10 1b6p s ALA 71 N -1.52 -0.89 -0.16 0.59 0.00 -0.11 -4.65 121.76 115.03 1b6p s ALA 71 Ca 0.43 0.66 -0.04 0.00 0.00 0.00 0.00 51.96 53.02 1b6p s ALA 71 Cb -0.17 -0.20 0.05 0.00 0.00 0.00 0.00 23.12 22.81 1b6p s ALA 71 CO 0.21 -0.23 0.06 0.42 0.00 0.00 0.00 175.76 176.22 1b6p s ILE 72 N -0.72 0.17 0.00 0.00 1.01 -1.26 0.79 121.20 121.19 1b6p s ILE 72 Ca -0.08 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.33 1b6p s ILE 72 Cb -0.04 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.73 1b6p s ILE 72 CO 0.03 -0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.41 1b6p n GLY 73 N 5.19 2.52 3.71 6.18 0.00 -0.55 -4.77 105.19 117.47 1b6p n GLY 73 Ca -0.07 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 1b6p n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b6p s THR 74 N -2.79 4.92 -0.09 2.61 2.01 -1.26 0.25 115.64 121.29 1b6p s THR 74 Ca 0.00 1.83 0.03 0.00 0.31 0.00 0.00 61.69 63.86 1b6p s THR 74 Cb 0.00 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.30 1b6p s THR 74 CO 0.00 0.17 -0.17 0.68 -0.69 0.00 0.00 174.62 174.61 1b6p s VAL 75 N 1.08 1.55 -0.23 3.82 -7.23 0.05 -4.46 120.40 114.98 1b6p s VAL 75 Ca 0.46 -0.71 -0.11 0.00 -1.81 0.00 0.00 61.98 59.81 1b6p s VAL 75 Cb -0.19 -1.38 -0.05 0.00 0.56 0.00 0.00 36.38 35.32 1b6p s VAL 75 CO 0.23 0.45 0.18 -0.76 -0.31 0.00 0.00 175.10 174.89 1b6p s LEU 76 N 0.65 4.14 -0.19 1.32 1.43 0.10 -1.51 118.68 124.61 1b6p s LEU 76 Ca -0.14 0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 53.08 1b6p s LEU 76 Cb -0.16 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1b6p s LEU 76 CO 0.04 0.07 0.06 -0.69 0.23 0.00 0.00 176.35 176.06 1b6p s VAL 77 N 0.93 4.62 0.02 -1.59 1.01 -0.02 0.49 120.40 125.86 1b6p s VAL 77 Ca 0.09 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 1b6p s VAL 77 Cb -0.13 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.19 1b6p s VAL 77 CO 0.04 0.44 0.40 0.61 0.00 0.00 0.00 175.10 176.58 1b6p n GLY 78 N 3.80 0.73 3.31 4.51 0.00 -0.15 -0.43 105.19 116.96 1b6p n GLY 78 Ca -0.16 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 1b6p n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b6p n PRO 79 N -0.29 1.88 -4.72 1.61 -0.04 -1.26 -2.49 135.00 129.69 1b6p n PRO 79 Ca 0.01 -2.34 -0.33 0.00 -0.04 0.00 0.00 63.50 60.80 1b6p n PRO 79 Cb 0.20 -3.34 -0.12 0.00 -0.04 0.00 0.00 33.50 30.20 1b6p n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1b6p s THR 80 N 7.05 3.42 0.51 0.52 -1.32 -1.26 -5.01 115.64 119.55 1b6p s THR 80 Ca 0.60 -0.58 0.41 0.00 -1.21 0.00 0.00 61.69 60.91 1b6p s THR 80 Cb 0.07 -2.39 0.42 0.00 -1.51 0.00 0.00 72.50 69.10 1b6p s THR 80 CO 0.10 0.58 2.26 1.55 -2.21 0.00 0.00 174.62 176.91 1b6p h PRO 81 N 5.52 0.00 -2.48 7.08 0.13 -1.99 -3.44 132.00 136.82 1b6p h PRO 81 Ca -0.44 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.60 1b6p h PRO 81 Cb 1.17 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.10 1b6p h PRO 81 CO 0.53 0.01 -0.05 0.54 -0.23 0.00 0.00 178.00 178.79 1b6p s VAL 82 N -4.05 0.02 0.10 1.56 0.11 -1.26 -5.12 120.40 111.76 1b6p s VAL 82 Ca -0.03 -0.16 -0.31 0.00 -2.93 0.00 0.00 61.98 58.55 1b6p s VAL 82 Cb 0.12 -0.79 -0.08 0.00 -1.53 0.00 0.00 36.38 34.10 1b6p s VAL 82 CO 0.46 -0.09 1.48 0.20 -3.33 0.00 0.00 175.10 173.82 1b6p s ASN 83 N -0.78 6.73 -0.11 3.54 0.01 -1.26 -4.76 114.94 118.31 1b6p s ASN 83 Ca -0.08 2.38 0.03 0.00 -0.71 0.00 0.00 52.86 54.48 1b6p s ASN 83 Cb -0.03 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.06 1b6p s ASN 83 CO 0.05 -0.75 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.07 1b6p s ILE 84 N 1.65 1.80 -0.39 0.60 1.01 0.75 -0.52 121.20 126.11 1b6p s ILE 84 Ca 0.67 -0.85 -0.13 0.00 0.00 0.00 0.00 60.65 60.35 1b6p s ILE 84 Cb -0.38 -1.60 0.01 0.00 0.01 0.00 0.00 42.46 40.51 1b6p s ILE 84 CO 0.30 0.50 0.26 -0.63 0.00 0.00 0.00 174.94 175.37 1b6p s ILE 85 N 0.68 5.05 0.62 2.92 -1.09 -0.02 -1.07 121.20 128.29 1b6p s ILE 85 Ca -0.12 -0.63 -0.03 0.00 -2.23 0.00 0.00 60.65 57.64 1b6p s ILE 85 Cb -0.16 -3.77 0.13 0.00 -1.58 0.00 0.00 42.46 37.07 1b6p s ILE 85 CO 0.03 -0.23 0.85 0.61 -1.23 0.00 0.00 174.94 174.97 1b6p n GLY 86 N 5.10 0.27 0.28 6.18 0.00 -1.17 -1.43 105.19 114.43 1b6p n GLY 86 Ca -0.12 -1.96 0.11 0.00 0.00 0.00 0.00 46.02 44.06 1b6p n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1b6p h ARG 87 N 0.00 0.00 -0.34 1.61 3.08 -0.98 -1.80 114.38 115.95 1b6p h ARG 87 Ca -0.28 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.81 1b6p h ARG 87 Cb 0.97 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 1b6p h ARG 87 CO 0.27 0.00 0.23 -2.95 -1.07 0.00 0.00 179.97 176.46 1b6p h ASN 88 N 0.00 0.25 0.00 7.04 -1.07 -1.79 -1.27 115.58 118.74 1b6p h ASN 88 Ca 0.02 -0.00 -0.25 0.00 0.07 0.00 0.00 56.30 56.14 1b6p h ASN 88 Cb 0.11 -0.06 -0.05 0.00 -2.07 0.00 0.00 38.32 36.25 1b6p h ASN 88 CO -0.00 0.17 -2.21 0.18 0.07 0.00 0.00 177.43 175.64 1b6p n LEU 89 N -4.48 0.00 -0.08 6.14 4.77 -0.91 -4.21 117.00 118.23 1b6p n LEU 89 Ca 0.04 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.98 1b6p n LEU 89 Cb 0.20 0.34 0.20 0.00 -2.33 0.00 0.00 43.42 41.83 1b6p n LEU 89 CO 0.35 0.34 0.90 -0.07 -1.33 0.00 0.00 177.39 177.57 1b6p h LEU 90 N 0.00 0.68 -1.13 2.23 3.38 -1.02 -2.22 115.31 117.23 1b6p h LEU 90 Ca -0.37 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.36 1b6p h LEU 90 Cb 1.83 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 1b6p h LEU 90 CO 0.02 0.75 -0.40 0.71 0.09 0.00 0.00 178.44 179.61 1b6p h THR 91 N 0.68 1.14 -0.18 0.22 1.35 -1.44 -2.86 112.91 111.81 1b6p h THR 91 Ca 0.14 -1.46 -0.12 0.00 -0.55 0.00 0.00 66.41 64.42 1b6p h THR 91 Cb 0.41 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 1b6p h THR 91 CO 0.02 0.40 -0.41 1.56 -0.25 0.00 0.00 175.52 176.83 1b6p h GLN 92 N 0.00 0.41 -0.33 4.72 4.20 -1.57 -2.96 115.11 119.57 1b6p h GLN 92 Ca -0.00 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.50 1b6p h GLN 92 Cb 0.79 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1b6p h GLN 92 CO 0.05 0.76 0.00 0.44 -0.67 0.00 0.00 178.83 179.41 1b6p n ILE 93 N -4.02 0.44 -1.46 2.54 -5.35 -1.10 -4.97 119.36 105.43 1b6p n ILE 93 Ca -0.02 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 1b6p n ILE 93 Cb 0.50 0.40 0.00 0.00 -1.74 0.00 0.00 39.64 38.81 1b6p n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1b6p n GLY 94 N 1.21 -4.36 0.00 3.28 0.00 -1.10 -5.10 105.19 99.12 1b6p n GLY 94 Ca 0.16 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1b6p n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b6p n THR 96 N 0.89 0.00 -3.88 2.61 -2.24 -1.26 -5.03 114.28 105.36 1b6p n THR 96 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1b6p n THR 96 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 1b6p n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1b6p s LEU 97 N 0.00 4.10 -0.01 3.22 1.43 -1.26 -5.10 118.68 121.06 1b6p s LEU 97 Ca 0.00 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 1b6p s LEU 97 Cb 0.00 -2.03 -0.00 0.00 0.03 0.00 0.00 46.19 44.19 1b6p s LEU 97 CO 0.00 0.24 -0.07 0.20 0.23 0.00 0.00 176.35 176.95 1b6p s ASN 98 N -0.03 0.92 0.00 2.29 0.01 -1.26 -5.30 114.94 111.57 1b6p s ASN 98 Ca 0.08 -0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.09 1b6p s ASN 98 Cb -0.12 -0.15 0.00 0.00 0.41 0.00 0.00 41.25 41.39 1b6p s ASN 98 CO 0.00 0.08 0.00 2.22 -1.51 0.00 0.00 177.10 177.89