#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2sob s THR 2 N 0.00 1.96 -0.37 0.00 -4.23 -1.26 -4.96 115.64 106.78 2sob s THR 2 Ca 0.00 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.54 2sob s THR 2 Cb 0.00 -2.93 0.54 0.00 1.34 0.00 0.00 72.50 71.45 2sob s THR 2 CO 0.00 0.00 1.76 -1.20 -0.54 0.00 0.00 174.62 174.64 2sob n SER 3 N -3.77 3.73 -0.28 3.99 7.64 -1.26 -4.00 113.62 119.67 2sob n SER 3 Ca 0.13 -3.31 0.00 0.00 1.01 0.00 0.00 58.87 56.69 2sob n SER 3 Cb 0.60 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2sob n SER 3 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2sob n THR 4 N -0.83 0.00 -2.04 0.44 5.66 -1.26 -5.11 114.28 111.15 2sob n THR 4 Ca 0.49 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 61.20 2sob n THR 4 Cb 1.43 0.71 0.19 0.00 -1.55 0.00 0.00 70.33 71.12 2sob n THR 4 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2sob n LYS 5 N 0.00 -1.13 0.00 1.09 3.00 -1.26 -4.98 118.16 114.89 2sob n LYS 5 Ca 0.00 -2.19 0.00 0.00 -0.00 0.00 0.00 58.31 56.12 2sob n LYS 5 Cb 0.61 -1.27 0.00 0.00 0.00 0.00 0.00 35.03 34.37 2sob n LYS 5 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2sob n LYS 6 N -3.70 0.00 -3.41 1.64 0.00 -1.26 -4.50 118.16 106.93 2sob n LYS 6 Ca 0.17 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.24 2sob n LYS 6 Cb 0.59 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.52 2sob n LYS 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2sob s LEU 7 N -0.69 0.54 0.00 -5.58 1.43 -1.26 -1.93 118.68 111.19 2sob s LEU 7 Ca 0.00 -1.98 0.00 0.00 -1.03 0.00 0.00 54.13 51.12 2sob s LEU 7 Cb 0.00 0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.24 2sob s LEU 7 CO 0.00 -0.28 0.00 1.57 0.23 0.00 0.00 176.35 177.87 2sob n HIS 8 N 4.05 0.00 -3.64 0.29 -0.00 -1.26 -4.81 115.22 109.85 2sob n HIS 8 Ca 0.13 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.27 2sob n HIS 8 Cb 0.41 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.21 2sob n HIS 8 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 2sob s LYS 9 N 1.53 0.43 -0.28 1.57 0.00 -1.22 -3.90 119.74 117.86 2sob s LYS 9 Ca 0.00 0.72 -0.16 0.00 0.00 0.00 0.00 55.97 56.53 2sob s LYS 9 Cb 0.00 0.09 0.09 0.00 0.00 0.00 0.00 37.83 38.01 2sob s LYS 9 CO 0.00 -0.09 0.71 -2.00 0.00 0.00 0.00 175.35 173.98 2sob s GLU 10 N 1.32 0.68 0.30 1.78 -6.30 -1.17 -4.82 118.70 110.49 2sob s GLU 10 Ca -0.09 1.18 -0.27 0.00 -2.50 0.00 0.00 54.97 53.29 2sob s GLU 10 Cb -0.04 0.14 -0.14 0.00 0.00 0.00 0.00 34.13 34.09 2sob s GLU 10 CO -0.15 -0.14 0.94 -2.30 0.02 0.00 0.00 175.26 173.62 2sob n PRO 11 N 4.26 1.18 0.00 4.30 -0.02 -1.11 -0.13 135.00 143.48 2sob n PRO 11 Ca -0.20 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2sob n PRO 11 Cb 0.59 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 2sob n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2sob n ALA 12 N 0.09 0.00 -3.67 3.55 0.00 0.33 -4.76 120.51 116.05 2sob n ALA 12 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.46 2sob n ALA 12 Cb 0.32 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.68 2sob n ALA 12 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2sob s THR 13 N 0.75 -0.18 -0.15 0.00 -1.32 -1.17 -4.18 115.64 109.38 2sob s THR 13 Ca 0.00 0.07 -0.32 0.00 -1.21 0.00 0.00 61.69 60.23 2sob s THR 13 Cb 0.00 -0.75 -0.09 0.00 -1.51 0.00 0.00 72.50 70.15 2sob s THR 13 CO 0.00 0.03 2.04 -0.11 -2.21 0.00 0.00 174.62 174.37 2sob n LEU 14 N 4.54 3.29 -1.37 9.08 0.00 -1.26 -3.48 117.00 127.79 2sob n LEU 14 Ca -0.19 0.66 -0.01 0.00 0.00 0.00 0.00 56.01 56.47 2sob n LEU 14 Cb 0.55 -1.43 0.10 0.00 0.00 0.00 0.00 43.42 42.65 2sob n LEU 14 CO 0.03 -0.30 0.20 2.30 0.00 0.00 0.00 177.39 179.63 2sob n ILE 15 N 6.26 1.57 0.00 1.96 -5.35 -1.23 -5.00 119.36 117.57 2sob n ILE 15 Ca 0.27 -2.79 0.00 0.00 -0.27 0.00 0.00 62.75 59.96 2sob n ILE 15 Cb 0.34 0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 2sob n ILE 15 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2sob n LYS 16 N -0.55 0.00 -3.82 6.28 4.76 -1.26 -4.75 118.16 118.81 2sob n LYS 16 Ca 0.19 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.50 2sob n LYS 16 Cb 0.88 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.94 2sob n LYS 16 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2sob s ALA 17 N -1.66 -0.33 0.00 7.82 0.00 -1.26 -1.22 121.76 125.12 2sob s ALA 17 Ca 0.00 0.39 -0.16 0.00 0.00 0.00 0.00 51.96 52.19 2sob s ALA 17 Cb 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 23.12 22.80 2sob s ALA 17 CO 0.00 -0.07 0.90 0.82 0.00 0.00 0.00 175.76 177.42 2sob h ILE 18 N 4.99 0.00 -0.09 0.00 5.03 -1.84 -3.46 117.51 122.15 2sob h ILE 18 Ca -0.26 -0.21 0.00 0.00 -0.12 0.00 0.00 64.86 64.27 2sob h ILE 18 Cb 1.20 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.99 2sob h ILE 18 CO 0.43 0.00 0.00 -0.67 -0.68 0.00 0.00 178.15 177.23 2sob n ASP 19 N -4.11 0.00 -1.77 1.72 2.03 -1.18 -4.98 116.55 108.25 2sob n ASP 19 Ca -0.07 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.14 2sob n ASP 19 Cb 0.23 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.62 2sob n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2sob n GLY 20 N 0.00 3.32 1.96 0.27 0.00 -1.26 -3.84 105.19 105.64 2sob n GLY 20 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2sob n GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2sob n ASP 21 N 1.06 0.00 -4.45 1.61 8.00 -1.26 -4.93 116.55 116.59 2sob n ASP 21 Ca 0.19 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.42 2sob n ASP 21 Cb 0.57 0.10 -0.09 0.00 -0.02 0.00 0.00 41.12 41.68 2sob n ASP 21 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2sob s THR 22 N -1.98 1.11 0.11 -3.53 2.01 -1.25 -1.57 115.64 110.54 2sob s THR 22 Ca 0.00 -2.00 -0.10 0.00 0.31 0.00 0.00 61.69 59.90 2sob s THR 22 Cb 0.00 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 70.00 2sob s THR 22 CO 0.00 0.00 0.24 0.68 -0.69 0.00 0.00 174.62 174.85 2sob s VAL 23 N -3.07 0.12 -0.22 3.82 -7.23 0.21 -3.12 120.40 110.91 2sob s VAL 23 Ca 0.24 -1.10 -0.08 0.00 -1.81 0.00 0.00 61.98 59.24 2sob s VAL 23 Cb 0.05 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.58 2sob s VAL 23 CO 0.12 -0.54 0.08 -0.75 -0.31 0.00 0.00 175.10 173.70 2sob s LYS 24 N -3.87 3.85 -0.06 4.82 2.20 -0.35 0.79 119.74 127.12 2sob s LYS 24 Ca 0.06 -0.39 -0.04 0.00 -0.36 0.00 0.00 55.97 55.24 2sob s LYS 24 Cb 0.04 -3.30 0.03 0.00 -1.51 0.00 0.00 37.83 33.09 2sob s LYS 24 CO -0.10 0.05 0.15 -1.17 -0.36 0.00 0.00 175.35 173.93 2sob s LEU 25 N 0.99 0.94 -0.51 5.43 1.98 -1.22 -3.57 118.68 122.72 2sob s LEU 25 Ca 0.04 0.31 -0.01 0.00 -2.89 0.00 0.00 54.13 51.59 2sob s LEU 25 Cb -0.14 0.43 0.13 0.00 0.66 0.00 0.00 46.19 47.28 2sob s LEU 25 CO 0.03 -0.12 0.30 -0.32 -1.89 0.00 0.00 176.35 174.35 2sob s MET 26 N 0.82 2.18 -0.17 1.98 -2.45 -1.23 -2.74 119.30 117.70 2sob s MET 26 Ca -0.06 -2.24 0.03 0.00 -1.25 0.00 0.00 55.69 52.16 2sob s MET 26 Cb -0.08 -3.57 -0.22 0.00 1.25 0.00 0.00 34.83 32.21 2sob s MET 26 CO -0.04 -1.11 0.17 2.48 1.05 0.00 0.00 175.02 177.57 2sob n TYR 27 N 3.87 0.61 -1.40 4.11 4.11 -1.26 -3.05 117.16 124.16 2sob n TYR 27 Ca 0.04 0.15 -0.09 0.00 -0.00 0.00 0.00 57.90 58.00 2sob n TYR 27 Cb 0.39 -1.09 0.20 0.00 -0.00 0.00 0.00 39.34 38.83 2sob n TYR 27 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 2sob n LYS 28 N -3.23 1.97 -0.06 -3.48 2.85 -1.26 -4.85 118.16 110.10 2sob n LYS 28 Ca -0.35 -3.15 0.00 0.00 -1.05 0.00 0.00 58.31 53.77 2sob n LYS 28 Cb 1.05 -1.91 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 2sob n LYS 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2sob n GLY 29 N -1.12 1.84 3.28 2.58 0.00 -1.26 -5.01 105.19 105.50 2sob n GLY 29 Ca 0.40 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.07 2sob n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2sob s GLN 30 N -0.35 3.16 -0.10 1.61 -2.07 -1.26 -5.06 119.66 115.59 2sob s GLN 30 Ca 0.00 -0.77 -0.29 0.00 -1.82 0.00 0.00 55.36 52.47 2sob s GLN 30 Cb 0.00 -3.07 -0.04 0.00 -1.09 0.00 0.00 33.01 28.81 2sob s GLN 30 CO 0.00 -0.30 1.53 -1.25 -1.32 0.00 0.00 175.29 173.94 2sob s PRO 31 N 1.44 4.18 0.00 9.60 0.04 -1.26 -4.34 135.00 144.65 2sob s PRO 31 Ca 0.04 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2sob s PRO 31 Cb -0.15 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.47 2sob s PRO 31 CO -0.03 -0.83 0.00 -1.33 0.04 0.00 0.00 177.00 174.86 2sob n MET 32 N 7.00 2.25 -3.84 4.56 2.81 -1.11 -4.97 117.12 123.81 2sob n MET 32 Ca 0.16 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.75 2sob n MET 32 Cb 0.44 0.00 -0.15 0.00 -0.71 0.00 0.00 33.22 32.80 2sob n MET 32 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2sob s THR 33 N 0.53 1.58 0.47 2.03 -4.23 -1.26 -3.40 115.64 111.36 2sob s THR 33 Ca 0.00 -2.10 -0.19 0.00 -1.18 0.00 0.00 61.69 58.22 2sob s THR 33 Cb 0.00 -2.16 -0.10 0.00 1.34 0.00 0.00 72.50 71.58 2sob s THR 33 CO 0.00 -0.70 0.97 -0.36 -0.54 0.00 0.00 174.62 173.98 2sob s PHE 34 N 0.98 3.37 -0.26 3.99 0.40 0.24 -2.40 117.98 124.29 2sob s PHE 34 Ca 0.12 1.55 -0.29 0.00 -0.60 0.00 0.00 56.93 57.71 2sob s PHE 34 Cb -0.20 -2.83 0.01 0.00 0.51 0.00 0.00 43.02 40.51 2sob s PHE 34 CO -0.13 -0.24 1.09 -0.98 0.70 0.00 0.00 175.22 175.67 2sob s ARG 35 N -3.57 4.18 0.32 0.44 1.70 -1.05 0.65 118.95 121.62 2sob s ARG 35 Ca 0.61 1.30 0.01 0.00 -0.47 0.00 0.00 55.73 57.18 2sob s ARG 35 Cb -0.10 -3.70 0.54 0.00 -0.57 0.00 0.00 34.95 31.12 2sob s ARG 35 CO 0.21 -0.75 1.92 1.25 -1.08 0.00 0.00 175.30 176.84 2sob h LEU 36 N 9.77 0.71 -2.27 -1.89 6.46 -1.51 -3.36 115.31 123.21 2sob h LEU 36 Ca -0.21 -0.08 -0.12 0.00 -0.12 0.00 0.00 57.88 57.35 2sob h LEU 36 Cb 1.07 -0.18 -0.12 0.00 -0.73 0.00 0.00 40.66 40.69 2sob h LEU 36 CO 1.00 0.62 -0.26 -0.11 -0.62 0.00 0.00 178.44 179.07 2sob n LEU 37 N -4.35 -0.97 -1.42 2.25 7.94 -1.23 -4.90 117.00 114.32 2sob n LEU 37 Ca 0.05 -1.98 -0.16 0.00 -1.11 0.00 0.00 56.01 52.81 2sob n LEU 37 Cb 0.15 0.02 -0.07 0.00 0.53 0.00 0.00 43.42 44.05 2sob n LEU 37 CO 0.38 1.45 -0.15 0.00 -1.11 0.00 0.00 177.39 177.95 2sob n LEU 38 N -0.17 -1.14 -4.55 -1.96 -0.00 -1.26 -4.86 117.00 103.06 2sob n LEU 38 Ca -0.25 0.40 -0.35 0.00 -0.00 0.00 0.00 56.01 55.82 2sob n LEU 38 Cb 0.68 -2.42 -0.04 0.00 -0.00 0.00 0.00 43.42 41.65 2sob n LEU 38 CO -0.13 -0.89 1.63 -0.69 -0.00 0.00 0.00 177.39 177.31 2sob s VAL 39 N -2.37 3.27 -0.35 1.47 1.01 -1.24 -4.63 120.40 117.58 2sob s VAL 39 Ca 0.00 0.06 0.13 0.00 0.00 0.00 0.00 61.98 62.17 2sob s VAL 39 Cb 0.00 -3.70 0.41 0.00 0.00 0.00 0.00 36.38 33.09 2sob s VAL 39 CO 0.00 -0.68 1.49 -0.67 0.00 0.00 0.00 175.10 175.24 2sob n ASP 40 N 13.96 -1.37 -4.16 3.32 2.03 -1.26 -4.53 116.55 124.53 2sob n ASP 40 Ca 0.28 -2.26 -0.35 0.00 0.52 0.00 0.00 54.79 52.98 2sob n ASP 40 Cb 0.51 0.68 -0.13 0.00 -0.72 0.00 0.00 41.12 41.46 2sob n ASP 40 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2sob s THR 41 N -0.09 3.08 1.29 5.18 2.01 -1.26 -5.10 115.64 120.75 2sob s THR 41 Ca 0.13 -1.53 -0.19 0.00 0.31 0.00 0.00 61.69 60.40 2sob s THR 41 Cb 0.43 -2.85 0.32 0.00 0.01 0.00 0.00 72.50 70.41 2sob s THR 41 CO -0.12 -0.24 1.00 -2.16 -0.69 0.00 0.00 174.62 172.41 2sob s PRO 42 N 1.23 -1.93 -0.14 4.92 0.04 -1.26 -5.08 135.00 132.78 2sob s PRO 42 Ca -0.02 0.27 -0.28 0.00 0.04 0.00 0.00 61.00 61.02 2sob s PRO 42 Cb -0.20 -1.48 0.07 0.00 0.04 0.00 0.00 34.50 32.92 2sob s PRO 42 CO -0.02 -4.25 0.69 -1.83 0.04 0.00 0.00 177.00 171.63 2sob s GLU 43 N -4.99 0.95 0.19 4.56 4.04 -1.26 -5.16 118.70 117.03 2sob s GLU 43 Ca 0.69 0.56 -0.09 0.00 0.04 0.00 0.00 54.97 56.17 2sob s GLU 43 Cb -0.16 0.45 -0.07 0.00 0.02 0.00 0.00 34.13 34.38 2sob s GLU 43 CO 0.59 -0.23 0.50 -0.08 -1.84 0.00 0.00 175.26 174.21 2sob s THR 44 N -0.52 4.99 0.22 1.83 -1.32 -1.26 -5.09 115.64 114.49 2sob s THR 44 Ca -0.06 0.40 -0.17 0.00 -1.21 0.00 0.00 61.69 60.65 2sob s THR 44 Cb -0.02 -3.63 0.02 0.00 -1.51 0.00 0.00 72.50 67.36 2sob s THR 44 CO 0.06 0.00 0.54 -0.75 -2.21 0.00 0.00 174.62 172.26 2sob s LYS 45 N -2.66 1.47 0.63 7.08 2.20 -1.26 -5.17 119.74 122.04 2sob s LYS 45 Ca 0.44 -0.97 -0.11 0.00 -0.36 0.00 0.00 55.97 54.97 2sob s LYS 45 Cb -0.12 0.52 -0.03 0.00 -1.51 0.00 0.00 37.83 36.69 2sob s LYS 45 CO 0.22 -0.63 1.04 -3.38 -0.36 0.00 0.00 175.35 172.23 2sob s HIS 46 N -3.91 3.57 -0.14 4.03 -3.43 -1.26 -4.95 115.29 109.19 2sob s HIS 46 Ca 0.12 1.28 -0.29 0.00 -0.80 0.00 0.00 55.06 55.38 2sob s HIS 46 Cb -0.02 -2.76 -0.06 0.00 -1.43 0.00 0.00 32.58 28.31 2sob s HIS 46 CO 0.01 -0.77 2.13 -2.14 -2.00 0.00 0.00 174.74 171.98 2sob s PRO 47 N -5.18 3.44 0.15 -0.38 0.01 -1.26 -4.94 135.00 126.83 2sob s PRO 47 Ca 0.55 2.19 -0.22 0.00 0.01 0.00 0.00 61.00 63.53 2sob s PRO 47 Cb -0.11 -4.31 0.06 0.00 0.01 0.00 0.00 34.50 30.16 2sob s PRO 47 CO 0.54 -1.76 0.57 -1.59 0.01 0.00 0.00 177.00 174.77 2sob s LYS 48 N 5.77 1.24 0.42 5.54 -2.85 -1.26 -5.15 119.74 123.45 2sob s LYS 48 Ca 0.96 -0.48 -0.25 0.00 -1.00 0.00 0.00 55.97 55.21 2sob s LYS 48 Cb -0.36 0.57 -0.08 0.00 -2.06 0.00 0.00 37.83 35.90 2sob s LYS 48 CO 0.37 -0.53 1.24 -1.59 0.10 0.00 0.00 175.35 174.94 2sob s LYS 49 N -3.65 3.92 0.00 1.78 0.00 -1.26 -5.04 119.74 115.49 2sob s LYS 49 Ca 0.01 1.99 0.00 0.00 0.00 0.00 0.00 55.97 57.97 2sob s LYS 49 Cb -0.01 -2.65 0.00 0.00 0.00 0.00 0.00 37.83 35.18 2sob s LYS 49 CO -0.12 -0.48 0.00 0.41 0.00 0.00 0.00 175.35 175.16 2sob n GLY 50 N 0.63 1.76 3.63 0.59 0.00 -1.26 -5.15 105.19 105.39 2sob n GLY 50 Ca 0.05 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.14 2sob n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2sob s VAL 51 N 3.15 0.00 0.09 1.61 0.11 -1.26 -5.13 120.40 118.98 2sob s VAL 51 Ca 0.00 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.74 2sob s VAL 51 Cb 0.00 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.76 2sob s VAL 51 CO 0.00 0.00 1.69 -0.70 -3.33 0.00 0.00 175.10 172.76 2sob s GLU 52 N 0.32 4.18 -0.03 1.54 2.56 -1.26 -4.99 118.70 121.02 2sob s GLU 52 Ca -0.00 2.41 0.01 0.00 0.00 0.00 0.00 54.97 57.39 2sob s GLU 52 Cb -0.05 -3.55 0.01 0.00 2.00 0.00 0.00 34.13 32.54 2sob s GLU 52 CO 0.01 -0.75 -0.05 0.15 -0.56 0.00 0.00 175.26 174.06 2sob s LYS 53 N 2.51 0.68 0.16 4.30 -0.14 -1.26 -5.03 119.74 120.95 2sob s LYS 53 Ca 0.75 -0.15 0.00 0.00 -1.36 0.00 0.00 55.97 55.21 2sob s LYS 53 Cb -0.42 -0.68 0.00 0.00 -1.68 0.00 0.00 37.83 35.05 2sob s LYS 53 CO 0.33 0.01 0.00 0.66 -0.76 0.00 0.00 175.35 175.59 2sob n TYR 54 N 3.58 -1.22 -4.26 3.18 4.01 -1.26 -5.07 117.16 116.13 2sob n TYR 54 Ca -0.21 0.21 -0.28 0.00 -0.16 0.00 0.00 57.90 57.46 2sob n TYR 54 Cb 0.53 0.40 -0.17 0.00 -0.31 0.00 0.00 39.34 39.80 2sob n TYR 54 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2sob s GLY 55 N -4.81 1.01 0.00 2.72 0.00 -1.26 -4.16 107.32 100.82 2sob s GLY 55 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.00 2sob s GLY 55 CO 0.00 0.40 0.00 -1.55 0.00 0.00 0.00 173.10 171.95 2sob n PRO 56 N 4.45 1.69 0.03 2.90 -0.04 -1.26 -4.93 135.00 137.84 2sob n PRO 56 Ca -0.18 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.28 2sob n PRO 56 Cb 0.51 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.97 2sob n PRO 56 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2sob n GLU 57 N 0.00 0.04 -0.06 0.54 0.00 -1.26 -4.36 120.64 115.54 2sob n GLU 57 Ca 0.00 0.01 -0.17 0.00 0.00 0.00 0.00 57.16 57.00 2sob n GLU 57 Cb 0.00 -0.51 -0.13 0.00 0.00 0.00 0.00 31.44 30.80 2sob n GLU 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2sob h ALA 58 N -0.09 0.07 0.00 -1.84 0.00 -2.03 -3.30 119.26 112.07 2sob h ALA 58 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2sob h ALA 58 Cb 0.07 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2sob h ALA 58 CO 0.00 0.28 0.00 0.66 0.00 0.00 0.00 179.25 180.19 2sob h SER 59 N -0.86 0.00 -0.44 0.00 4.64 -1.98 -2.88 113.55 112.03 2sob h SER 59 Ca -0.12 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.22 2sob h SER 59 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 2sob h SER 59 CO -0.02 0.00 0.29 0.00 -0.87 0.00 0.00 176.83 176.23 2sob h ALA 60 N 2.08 1.76 -0.98 5.18 0.00 -1.76 -0.75 119.26 124.79 2sob h ALA 60 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2sob h ALA 60 Cb 0.51 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2sob h ALA 60 CO 0.00 0.20 0.65 0.74 0.00 0.00 0.00 179.25 180.84 2sob h PHE 61 N 0.53 1.22 -0.00 0.00 0.04 -1.65 -0.38 116.94 116.70 2sob h PHE 61 Ca 0.17 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.86 2sob h PHE 61 Cb 0.04 -0.41 -0.02 0.00 2.20 0.00 0.00 35.95 37.76 2sob h PHE 61 CO -0.00 0.76 -0.52 1.15 -0.60 0.00 0.00 178.31 179.11 2sob h THR 62 N 1.31 1.37 -0.75 -1.55 2.02 -1.33 -2.53 112.91 111.45 2sob h THR 62 Ca 0.36 -1.77 0.07 0.00 0.77 0.00 0.00 66.41 65.84 2sob h THR 62 Cb -0.13 1.95 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 2sob h THR 62 CO -0.08 0.51 0.49 0.50 0.37 0.00 0.00 175.52 177.30 2sob h LYS 63 N 0.01 0.74 0.00 6.66 3.64 -0.28 -3.40 116.57 123.93 2sob h LYS 63 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2sob h LYS 63 Cb 0.92 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2sob h LYS 63 CO 0.07 0.49 0.00 1.63 -2.27 0.00 0.00 179.45 179.36 2sob n LYS 64 N -4.49 2.81 0.00 1.90 4.01 -0.95 -4.30 118.16 117.14 2sob n LYS 64 Ca 0.11 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 2sob n LYS 64 Cb 0.25 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.77 2sob n LYS 64 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17 2sob n MET 65 N 0.00 0.00 0.14 1.97 0.00 -1.25 -3.43 117.12 114.55 2sob n MET 65 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.70 57.82 2sob n MET 65 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 33.22 33.29 2sob n MET 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2sob h LEU 66 N 0.00 0.00 -0.02 -0.89 5.85 -1.82 -2.31 115.31 116.12 2sob h LEU 66 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2sob h LEU 66 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2sob h LEU 66 CO 0.00 0.01 -0.01 -1.84 -0.34 0.00 0.00 178.44 176.26 2sob n GLU 67 N -2.76 0.56 0.00 1.25 0.28 -1.22 -4.28 120.64 114.47 2sob n GLU 67 Ca 0.01 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 2sob n GLU 67 Cb 0.54 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.91 2sob n GLU 67 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2sob n ASN 68 N -1.20 1.24 -4.76 -1.84 0.23 -1.24 -5.05 115.26 102.64 2sob n ASN 68 Ca 0.16 0.00 -0.37 0.00 -0.53 0.00 0.00 54.58 53.84 2sob n ASN 68 Cb 0.22 0.06 0.02 0.00 -2.08 0.00 0.00 39.78 38.00 2sob n ASN 68 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2sob s ALA 69 N -1.28 2.74 -0.27 -2.53 0.00 -0.87 -4.97 121.76 114.58 2sob s ALA 69 Ca 0.00 1.03 -0.15 0.00 0.00 0.00 0.00 51.96 52.84 2sob s ALA 69 Cb 0.00 -3.45 -0.13 0.00 0.00 0.00 0.00 23.12 19.55 2sob s ALA 69 CO 0.00 -1.02 -0.29 1.17 0.00 0.00 0.00 175.76 175.62 2sob n LYS 70 N -1.12 0.59 -3.10 0.00 4.81 -1.26 -4.35 118.16 113.72 2sob n LYS 70 Ca 0.11 0.30 -0.38 0.00 -0.87 0.00 0.00 58.31 57.46 2sob n LYS 70 Cb 0.48 -1.52 -0.06 0.00 0.02 0.00 0.00 35.03 33.95 2sob n LYS 70 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2sob s LYS 71 N -2.50 4.38 -0.16 1.64 1.02 -1.26 -4.22 119.74 118.63 2sob s LYS 71 Ca -0.38 0.96 -0.05 0.00 0.02 0.00 0.00 55.97 56.52 2sob s LYS 71 Cb 0.14 -3.16 0.08 0.00 -0.52 0.00 0.00 37.83 34.37 2sob s LYS 71 CO 0.50 0.55 0.30 0.42 -0.92 0.00 0.00 175.35 176.20 2sob s ILE 72 N -1.23 -0.47 -1.25 2.17 1.01 -1.25 -4.38 121.20 115.79 2sob s ILE 72 Ca 0.36 0.17 -0.14 0.00 0.00 0.00 0.00 60.65 61.04 2sob s ILE 72 Cb -0.20 -0.55 0.14 0.00 0.01 0.00 0.00 42.46 41.85 2sob s ILE 72 CO 0.23 0.04 1.60 -0.62 0.00 0.00 0.00 174.94 176.19 2sob n GLU 73 N 5.36 3.33 -1.55 2.79 -0.58 0.17 0.12 120.64 130.27 2sob n GLU 73 Ca -0.06 -3.61 -0.53 0.00 -0.42 0.00 0.00 57.16 52.53 2sob n GLU 73 Cb 0.50 -3.17 -0.07 0.00 -0.57 0.00 0.00 31.44 28.13 2sob n GLU 73 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2sob n VAL 74 N 4.99 0.26 -3.47 2.62 0.31 0.82 -3.77 118.33 120.09 2sob n VAL 74 Ca 0.41 -0.16 -0.43 0.00 -0.01 0.00 0.00 64.34 64.16 2sob n VAL 74 Cb 0.43 -1.45 -0.07 0.00 -0.91 0.00 0.00 33.84 31.84 2sob n VAL 74 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2sob s GLU 75 N 5.09 2.69 -0.34 5.55 2.12 -1.16 -3.04 118.70 129.60 2sob s GLU 75 Ca 1.05 -1.69 0.16 0.00 0.36 0.00 0.00 54.97 54.85 2sob s GLU 75 Cb -0.96 -4.04 0.42 0.00 0.26 0.00 0.00 34.13 29.81 2sob s GLU 75 CO 0.56 -1.20 0.88 1.97 -0.54 0.00 0.00 175.26 176.94 2sob n PHE 76 N 5.04 0.71 -0.72 5.30 -1.74 -1.26 -2.01 117.46 122.78 2sob n PHE 76 Ca -0.10 -3.12 0.03 0.00 -0.56 0.00 0.00 57.45 53.69 2sob n PHE 76 Cb 0.41 -0.34 -0.01 0.00 1.52 0.00 0.00 39.48 41.06 2sob n PHE 76 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 2sob n ASP 77 N 0.05 -1.86 -4.55 5.98 5.68 -0.81 -4.13 116.55 116.91 2sob n ASP 77 Ca 0.14 0.22 -0.33 0.00 -0.50 0.00 0.00 54.79 54.32 2sob n ASP 77 Cb 0.76 -0.85 -0.04 0.00 -1.14 0.00 0.00 41.12 39.85 2sob n ASP 77 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2sob s LYS 78 N -0.76 2.51 0.00 0.11 -2.85 -1.26 -4.58 119.74 112.92 2sob s LYS 78 Ca 0.00 0.37 0.00 0.00 -1.00 0.00 0.00 55.97 55.34 2sob s LYS 78 Cb 0.00 -4.64 0.00 0.00 -2.06 0.00 0.00 37.83 31.13 2sob s LYS 78 CO 0.00 -3.07 0.00 0.41 0.10 0.00 0.00 175.35 172.79 2sob n GLY 79 N 6.15 -1.55 0.17 0.59 0.00 -1.26 -4.66 105.19 104.64 2sob n GLY 79 Ca 0.29 -1.55 -0.02 0.00 0.00 0.00 0.00 46.02 44.74 2sob n GLY 79 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2sob h GLN 80 N 0.00 0.16 0.00 1.61 4.20 -1.84 -3.47 115.11 115.76 2sob h GLN 80 Ca 0.00 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2sob h GLN 80 Cb 0.00 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2sob h GLN 80 CO 0.00 0.64 0.00 -2.13 -0.67 0.00 0.00 178.83 176.67 2sob n ARG 81 N -3.93 0.00 0.00 1.46 3.00 -1.26 -4.36 116.66 111.57 2sob n ARG 81 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 2sob n ARG 81 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.01 2sob n ARG 81 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2sob n THR 82 N 0.00 0.00 -0.89 5.15 -2.24 -1.26 -4.90 114.28 110.14 2sob n THR 82 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2sob n THR 82 Cb 0.00 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 2sob n THR 82 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2sob n ASP 83 N 0.00 -3.62 -0.52 3.42 2.03 -0.43 -4.70 116.55 112.72 2sob n ASP 83 Ca 0.00 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.32 2sob n ASP 83 Cb 0.00 -2.42 0.01 0.00 -0.72 0.00 0.00 41.12 37.99 2sob n ASP 83 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2sob n LYS 84 N -0.66 0.08 0.00 -0.67 4.76 -1.26 -4.86 118.16 115.54 2sob n LYS 84 Ca 0.00 -1.14 0.00 0.00 -2.87 0.00 0.00 58.31 54.30 2sob n LYS 84 Cb 0.25 -0.54 0.00 0.00 -1.84 0.00 0.00 35.03 32.91 2sob n LYS 84 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 2sob n TYR 85 N -0.06 0.00 1.70 2.13 9.36 -1.26 -4.94 117.16 124.09 2sob n TYR 85 Ca 0.01 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.27 2sob n TYR 85 Cb 0.72 0.00 0.14 0.00 -0.63 0.00 0.00 39.34 39.57 2sob n TYR 85 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2sob n GLY 86 N 0.00 -0.55 7.00 2.98 0.00 -1.26 -5.00 105.19 108.36 2sob n GLY 86 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2sob n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2sob n ARG 87 N -0.26 0.00 -2.84 1.61 3.00 -1.26 -3.22 116.66 113.69 2sob n ARG 87 Ca 0.06 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.47 2sob n ARG 87 Cb 0.10 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.56 2sob n ARG 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2sob n VAL 88 N 0.00 4.76 -1.54 1.55 0.31 -1.01 -1.31 118.33 121.10 2sob n VAL 88 Ca 0.00 -5.20 -0.34 0.00 -0.01 0.00 0.00 64.34 58.78 2sob n VAL 88 Cb 0.00 -2.30 -0.07 0.00 -0.91 0.00 0.00 33.84 30.56 2sob n VAL 88 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2sob n LEU 89 N 2.92 1.65 -3.63 7.52 4.77 -1.20 -2.51 117.00 126.51 2sob n LEU 89 Ca 0.31 -0.46 -0.13 0.00 -0.03 0.00 0.00 56.01 55.70 2sob n LEU 89 Cb 0.36 -1.40 -0.07 0.00 -2.33 0.00 0.00 43.42 39.98 2sob n LEU 89 CO 0.70 -1.49 0.43 0.00 -1.33 0.00 0.00 177.39 175.70 2sob s ALA 90 N 11.32 -1.79 0.77 -1.18 0.00 -1.26 -4.77 121.76 124.85 2sob s ALA 90 Ca 1.08 2.04 -0.10 0.00 0.00 0.00 0.00 51.96 54.97 2sob s ALA 90 Cb -0.45 -1.20 0.07 0.00 0.00 0.00 0.00 23.12 21.54 2sob s ALA 90 CO 0.31 -0.34 1.12 0.71 0.00 0.00 0.00 175.76 177.57 2sob s TYR 91 N 0.43 2.97 -0.20 0.00 2.02 -0.85 -3.06 117.35 118.65 2sob s TYR 91 Ca -0.00 0.68 -0.02 0.00 -0.37 0.00 0.00 57.07 57.36 2sob s TYR 91 Cb -0.05 -3.38 0.06 0.00 -0.40 0.00 0.00 41.96 38.19 2sob s TYR 91 CO -0.00 -1.62 0.01 0.42 -1.57 0.00 0.00 175.55 172.78 2sob s ILE 92 N -3.46 0.80 0.25 2.71 -1.09 -1.26 -3.00 121.20 116.15 2sob s ILE 92 Ca 0.61 -0.72 0.10 0.00 -2.23 0.00 0.00 60.65 58.41 2sob s ILE 92 Cb -0.11 -1.23 -0.04 0.00 -1.58 0.00 0.00 42.46 39.50 2sob s ILE 92 CO 0.48 -0.16 -0.05 -0.31 -1.23 0.00 0.00 174.94 173.67 2sob s TYR 93 N 1.73 2.63 0.00 3.97 2.02 -1.25 -4.69 117.35 121.77 2sob s TYR 93 Ca -0.02 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.44 2sob s TYR 93 Cb -0.17 -1.18 0.00 0.00 -0.40 0.00 0.00 41.96 40.20 2sob s TYR 93 CO -0.07 0.62 0.00 0.00 -1.57 0.00 0.00 175.55 174.52 2sob n ALA 94 N -0.70 0.00 -1.73 3.71 0.00 -1.10 0.41 120.51 121.10 2sob n ALA 94 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.17 2sob n ALA 94 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 2sob n ALA 94 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2sob s ASP 95 N 1.56 4.37 -0.86 0.00 2.15 -1.26 -2.01 116.67 120.63 2sob s ASP 95 Ca 0.00 -0.06 0.00 0.00 0.43 0.00 0.00 52.55 52.92 2sob s ASP 95 Cb 0.00 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 2sob s ASP 95 CO 0.00 -3.39 0.00 0.61 -0.17 0.00 0.00 175.17 172.22 2sob n GLY 96 N 6.70 0.65 2.78 2.66 0.00 -1.26 -4.93 105.19 111.79 2sob n GLY 96 Ca 0.43 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 2sob n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2sob n LYS 97 N -2.39 4.40 -0.66 1.61 4.01 -0.85 -4.67 118.16 119.61 2sob n LYS 97 Ca -0.09 -4.76 -0.08 0.00 -0.51 0.00 0.00 58.31 52.86 2sob n LYS 97 Cb 0.40 -2.36 0.15 0.00 -0.51 0.00 0.00 35.03 32.70 2sob n LYS 97 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2sob n MET 98 N -0.11 2.21 -1.90 1.97 2.81 -1.26 -2.72 117.12 118.12 2sob n MET 98 Ca 0.39 -1.78 -0.21 0.00 -1.81 0.00 0.00 57.70 54.30 2sob n MET 98 Cb 0.32 -1.77 -0.06 0.00 -0.71 0.00 0.00 33.22 31.01 2sob n MET 98 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 2sob n VAL 99 N -0.21 -0.37 1.88 2.03 3.14 -1.26 -4.83 118.33 118.71 2sob n VAL 99 Ca 0.29 0.00 0.05 0.00 -2.96 0.00 0.00 64.34 61.72 2sob n VAL 99 Cb 1.07 -2.33 0.27 0.00 -1.06 0.00 0.00 33.84 31.78 2sob n VAL 99 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 2sob n ASN 100 N -1.60 0.23 -0.22 6.55 0.23 -1.26 -4.08 115.26 115.11 2sob n ASN 100 Ca -0.22 -1.74 -0.01 0.00 -0.53 0.00 0.00 54.58 52.08 2sob n ASN 100 Cb 0.68 -0.02 0.10 0.00 -2.08 0.00 0.00 39.78 38.46 2sob n ASN 100 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2sob h GLU 101 N 0.28 0.56 -6.22 -3.83 4.22 -1.89 -3.39 114.58 104.31 2sob h GLU 101 Ca 0.00 -0.03 -0.56 0.00 0.08 0.00 0.00 59.36 58.85 2sob h GLU 101 Cb 0.06 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2sob h GLU 101 CO 0.00 0.37 0.88 0.00 -2.18 0.00 0.00 179.01 178.08 2sob s ALA 102 N -6.09 3.62 0.00 2.92 0.00 -1.26 -5.13 121.76 115.81 2sob s ALA 102 Ca -0.13 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.42 2sob s ALA 102 Cb 0.16 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2sob s ALA 102 CO 0.75 -1.09 0.31 -0.11 0.00 0.00 0.00 175.76 175.63