#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2sob n THR 2 N 0.00 0.15 -3.03 0.00 -2.24 -1.26 -5.01 114.28 102.89 2sob n THR 2 Ca 0.00 0.05 -0.15 0.00 -2.27 0.00 0.00 64.05 61.68 2sob n THR 2 Cb 0.00 -0.56 0.01 0.00 -2.10 0.00 0.00 70.33 67.67 2sob n THR 2 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2sob n SER 3 N -3.31 -0.31 -3.73 3.42 3.41 -1.26 -4.99 113.62 106.86 2sob n SER 3 Ca 0.00 -3.23 -0.29 0.00 -0.26 0.00 0.00 58.87 55.10 2sob n SER 3 Cb 0.00 0.26 -0.16 0.00 -0.26 0.00 0.00 64.21 64.05 2sob n SER 3 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2sob s THR 4 N -1.44 0.68 -1.40 6.66 -4.23 -1.26 -4.82 115.64 109.83 2sob s THR 4 Ca 0.34 -0.93 -0.09 0.00 -1.18 0.00 0.00 61.69 59.82 2sob s THR 4 Cb 0.32 -1.32 0.03 0.00 1.34 0.00 0.00 72.50 72.88 2sob s THR 4 CO -0.08 -0.41 1.07 1.17 -0.54 0.00 0.00 174.62 175.83 2sob n LYS 5 N 4.96 -6.85 0.18 3.99 3.00 -1.26 -4.88 118.16 117.31 2sob n LYS 5 Ca -0.06 0.74 0.10 0.00 -0.00 0.00 0.00 58.31 59.09 2sob n LYS 5 Cb 0.45 -5.71 0.11 0.00 0.00 0.00 0.00 35.03 29.88 2sob n LYS 5 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.40 178.97 2sob h LYS 6 N -2.38 0.00 -4.23 1.64 2.10 -1.93 -3.47 116.57 108.31 2sob h LYS 6 Ca -0.58 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.07 2sob h LYS 6 Cb 1.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 2sob h LYS 6 CO 0.59 0.07 -0.40 1.28 -2.00 0.00 0.00 179.45 178.99 2sob n LEU 7 N -3.03 -5.34 0.00 7.07 4.32 -1.26 -4.80 117.00 113.96 2sob n LEU 7 Ca 0.03 0.53 0.00 0.00 -0.02 0.00 0.00 56.01 56.54 2sob n LEU 7 Cb 0.57 -2.33 0.00 0.00 -1.62 0.00 0.00 43.42 40.04 2sob n LEU 7 CO 0.36 -1.53 0.00 1.57 -1.22 0.00 0.00 177.39 176.57 2sob n HIS 8 N -0.04 0.00 -3.64 -1.77 -0.00 -1.26 -4.68 115.22 103.83 2sob n HIS 8 Ca 0.04 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.12 2sob n HIS 8 Cb 0.14 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 29.94 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 0.00 0.69 -0.29 1.57 -2.85 -1.25 -3.85 119.74 113.76 2sob s LYS 9 Ca 0.00 1.00 -0.14 0.00 -1.00 0.00 0.00 55.97 55.82 2sob s LYS 9 Cb 0.00 0.25 0.11 0.00 -2.06 0.00 0.00 37.83 36.13 2sob s LYS 9 CO 0.00 -0.11 0.77 -2.00 0.10 0.00 0.00 175.35 174.11 2sob s GLU 10 N 0.96 0.57 0.59 1.78 -6.30 -1.22 -4.81 118.70 110.27 2sob s GLU 10 Ca -0.05 1.12 -0.18 0.00 -2.50 0.00 0.00 54.97 53.36 2sob s GLU 10 Cb -0.05 0.34 -0.06 0.00 0.00 0.00 0.00 34.13 34.36 2sob s GLU 10 CO -0.10 -0.14 0.85 -2.30 0.02 0.00 0.00 175.26 173.59 2sob n PRO 11 N 4.54 0.79 0.00 4.30 -0.02 -1.11 0.35 135.00 143.86 2sob n PRO 11 Ca -0.17 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2sob n PRO 11 Cb 0.56 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 -1.72 0.00 -3.70 3.55 0.00 -1.26 -4.72 120.51 112.65 2sob n ALA 12 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.46 2sob n ALA 12 Cb 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.03 -0.13 -0.16 0.00 -1.32 -1.06 -4.75 115.64 108.19 2sob s THR 13 Ca 0.00 0.14 -0.29 0.00 -1.21 0.00 0.00 61.69 60.33 2sob s THR 13 Cb 0.00 -0.50 -0.04 0.00 -1.51 0.00 0.00 72.50 70.44 2sob s THR 13 CO 0.00 0.06 1.78 -1.48 -2.21 0.00 0.00 174.62 172.77 2sob s LEU 14 N 1.57 3.96 -0.38 9.08 0.05 -1.26 -2.35 118.68 129.34 2sob s LEU 14 Ca -0.07 1.91 0.05 0.00 0.05 0.00 0.00 54.13 56.07 2sob s LEU 14 Cb -0.10 -3.53 0.45 0.00 -2.05 0.00 0.00 46.19 40.96 2sob s LEU 14 CO -0.11 -1.31 1.29 2.30 -0.55 0.00 0.00 176.35 177.98 2sob n ILE 15 N 6.39 2.65 0.00 1.48 -5.35 -1.12 -4.96 119.36 118.44 2sob n ILE 15 Ca 0.21 -4.25 0.00 0.00 -0.27 0.00 0.00 62.75 58.44 2sob n ILE 15 Cb 0.44 -1.17 0.00 0.00 -1.74 0.00 0.00 39.64 37.17 2sob n ILE 15 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2sob n LYS 16 N -0.67 0.00 -0.89 6.28 3.00 -1.26 -4.59 118.16 120.02 2sob n LYS 16 Ca 0.45 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.71 2sob n LYS 16 Cb 0.84 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.90 2sob n LYS 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2sob n ALA 17 N -0.82 -0.02 0.14 3.14 0.00 -1.26 -0.84 120.51 120.85 2sob n ALA 17 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2sob n ALA 17 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.50 2sob n ALA 17 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2sob n ILE 18 N -1.79 0.00 -1.82 0.00 -0.00 0.48 -4.64 119.36 111.59 2sob n ILE 18 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.78 2sob n ILE 18 Cb 0.12 -0.42 0.00 0.00 -0.00 0.00 0.00 39.64 39.33 2sob n ILE 18 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2sob n ASP 19 N -3.35 0.01 0.00 4.38 -0.08 0.88 -4.80 116.55 113.59 2sob n ASP 19 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2sob n ASP 19 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2sob n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2sob n GLY 20 N 0.00 -2.40 0.32 0.27 0.00 -1.26 -3.68 105.19 98.43 2sob n GLY 20 Ca 0.00 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.37 1.20 -4.59 1.61 8.00 -1.26 -3.94 116.55 117.20 2sob n ASP 21 Ca 0.00 -1.06 -0.43 0.00 0.71 0.00 0.00 54.79 54.01 2sob n ASP 21 Cb 0.00 0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 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 -2.39 4.00 0.02 -3.53 2.01 -1.24 -4.14 115.64 110.37 2sob s THR 22 Ca 0.27 0.96 -0.10 0.00 0.31 0.00 0.00 61.69 63.13 2sob s THR 22 Cb 0.20 -4.52 0.01 0.00 0.01 0.00 0.00 72.50 68.19 2sob s THR 22 CO 0.48 -1.08 0.20 0.68 -0.69 0.00 0.00 174.62 174.21 2sob s VAL 23 N 5.13 0.09 -0.06 3.82 -7.23 -1.18 -0.08 120.40 120.88 2sob s VAL 23 Ca 0.50 -0.76 -0.10 0.00 -1.81 0.00 0.00 61.98 59.82 2sob s VAL 23 Cb -0.09 -0.73 -0.05 0.00 0.56 0.00 0.00 36.38 36.08 2sob s VAL 23 CO 0.29 -0.42 0.25 -0.75 -0.31 0.00 0.00 175.10 174.16 2sob s LYS 24 N -2.01 3.62 -0.27 4.82 2.20 -0.02 -0.38 119.74 127.70 2sob s LYS 24 Ca -0.09 0.07 -0.10 0.00 -0.36 0.00 0.00 55.97 55.49 2sob s LYS 24 Cb -0.04 -3.19 0.11 0.00 -1.51 0.00 0.00 37.83 33.21 2sob s LYS 24 CO -0.01 0.74 0.60 -1.17 -0.36 0.00 0.00 175.35 175.14 2sob s LEU 25 N -1.12 -0.97 -0.61 5.43 0.20 -1.18 -2.81 118.68 117.63 2sob s LEU 25 Ca 0.19 1.42 -0.18 0.00 0.69 0.00 0.00 54.13 56.26 2sob s LEU 25 Cb -0.14 2.08 0.12 0.00 -0.43 0.00 0.00 46.19 47.82 2sob s LEU 25 CO 0.09 -0.22 0.67 -0.32 -0.29 0.00 0.00 176.35 176.27 2sob s MET 26 N 2.60 3.09 -0.22 1.98 1.75 -0.99 -3.96 119.30 123.55 2sob s MET 26 Ca -0.06 -1.53 0.12 0.00 -1.25 0.00 0.00 55.69 52.97 2sob s MET 26 Cb -0.11 -4.31 -0.21 0.00 2.84 0.00 0.00 34.83 33.03 2sob s MET 26 CO -0.18 -1.48 -0.04 2.48 -0.65 0.00 0.00 175.02 175.16 2sob n TYR 27 N 5.88 0.00 -1.57 4.11 4.11 -1.26 -2.55 117.16 125.88 2sob n TYR 27 Ca -0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.80 2sob n TYR 27 Cb 0.42 -0.97 0.19 0.00 -0.00 0.00 0.00 39.34 38.98 2sob n TYR 27 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 2sob n LYS 28 N -2.91 1.89 -0.95 -3.48 3.00 -1.26 -4.86 118.16 109.60 2sob n LYS 28 Ca -0.37 -3.33 0.00 0.00 -0.00 0.00 0.00 58.31 54.61 2sob n LYS 28 Cb 1.08 -1.78 0.00 0.00 0.00 0.00 0.00 35.03 34.33 2sob n LYS 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2sob n GLY 29 N -1.09 0.50 3.38 3.14 0.00 -1.26 -5.00 105.19 104.87 2sob n GLY 29 Ca 0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.43 3.39 -0.21 1.61 -2.07 -1.26 -5.08 119.66 115.62 2sob s GLN 30 Ca 0.00 -0.67 -0.29 0.00 -1.82 0.00 0.00 55.36 52.58 2sob s GLN 30 Cb 0.00 -2.65 -0.03 0.00 -1.09 0.00 0.00 33.01 29.25 2sob s GLN 30 CO 0.00 0.22 1.57 -1.25 -1.32 0.00 0.00 175.29 174.51 2sob s PRO 31 N 0.33 3.88 0.36 9.60 0.04 -1.26 -4.39 135.00 143.55 2sob s PRO 31 Ca -0.10 1.68 0.05 0.00 0.04 0.00 0.00 61.00 62.67 2sob s PRO 31 Cb -0.16 -4.00 -0.07 0.00 0.04 0.00 0.00 34.50 30.32 2sob s PRO 31 CO 0.05 -1.19 0.03 0.00 0.04 0.00 0.00 177.00 175.93 2sob s MET 32 N 4.48 1.77 -0.59 4.56 0.23 -1.25 -5.00 119.30 123.49 2sob s MET 32 Ca 0.69 -1.98 0.06 0.00 -1.03 0.00 0.00 55.69 53.42 2sob s MET 32 Cb -0.25 -1.19 0.21 0.00 -1.53 0.00 0.00 34.83 32.07 2sob s MET 32 CO 0.28 -0.12 0.55 2.41 -2.03 0.00 0.00 175.02 176.11 2sob n THR 33 N -0.79 1.07 -1.32 3.16 -1.04 -1.26 -3.10 114.28 111.01 2sob n THR 33 Ca -0.03 -4.62 -0.51 0.00 -2.04 0.00 0.00 64.05 56.84 2sob n THR 33 Cb 0.67 -2.04 -0.07 0.00 -1.82 0.00 0.00 70.33 67.07 2sob n THR 33 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2sob n PHE 34 N 1.68 0.49 -1.68 -1.42 3.01 0.49 -4.57 117.46 115.45 2sob n PHE 34 Ca 0.25 0.93 0.00 0.00 1.01 0.00 0.00 57.45 59.64 2sob n PHE 34 Cb 0.42 -1.84 0.00 0.00 -0.01 0.00 0.00 39.48 38.05 2sob n PHE 34 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2sob n ARG 35 N 1.29 0.00 0.00 -1.08 3.00 -1.26 -3.08 116.66 115.53 2sob n ARG 35 Ca 0.18 -0.63 0.00 0.00 -0.00 0.00 0.00 57.85 57.40 2sob n ARG 35 Cb 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 32.46 32.15 2sob n ARG 35 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2sob n LEU 36 N 0.00 0.00 -0.01 6.15 -0.00 -1.25 0.23 117.00 122.12 2sob n LEU 36 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.94 2sob n LEU 36 Cb 0.59 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.96 2sob n LEU 36 CO 0.00 0.00 0.22 0.25 -0.00 0.00 0.00 177.39 177.86 2sob h LEU 37 N 0.00 -0.08 0.00 1.47 5.85 -1.86 -3.41 115.31 117.29 2sob h LEU 37 Ca 0.00 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2sob h LEU 37 Cb 0.00 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2sob h LEU 37 CO 0.00 0.57 0.00 0.00 -0.34 0.00 0.00 178.44 178.67 2sob n LEU 38 N -4.79 0.00 -0.36 2.25 -0.00 0.64 -5.04 117.00 109.70 2sob n LEU 38 Ca -0.05 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 55.99 2sob n LEU 38 Cb 0.21 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 43.73 2sob n LEU 38 CO 0.17 0.00 0.62 0.52 -0.00 0.00 0.00 177.39 178.70 2sob n VAL 39 N 0.00 -0.45 -2.78 1.47 0.31 -1.26 -3.95 118.33 111.67 2sob n VAL 39 Ca 0.00 2.27 -0.10 0.00 -0.01 0.00 0.00 64.34 66.50 2sob n VAL 39 Cb 0.00 -3.08 0.05 0.00 -0.91 0.00 0.00 33.84 29.90 2sob n VAL 39 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2sob n ASP 40 N -5.54 -2.41 -4.58 4.52 5.68 -1.26 -5.03 116.55 107.92 2sob n ASP 40 Ca 0.14 -3.40 -0.43 0.00 -0.50 0.00 0.00 54.79 50.60 2sob n ASP 40 Cb 0.46 1.65 -0.05 0.00 -1.14 0.00 0.00 41.12 42.04 2sob n ASP 40 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2sob s THR 41 N 0.34 4.62 0.06 2.12 2.01 -1.25 -5.01 115.64 118.52 2sob s THR 41 Ca 0.29 0.87 -0.31 0.00 0.31 0.00 0.00 61.69 62.86 2sob s THR 41 Cb 0.25 -4.31 -0.07 0.00 0.01 0.00 0.00 72.50 68.39 2sob s THR 41 CO -0.17 -0.59 1.41 -2.16 -0.69 0.00 0.00 174.62 172.42 2sob s PRO 42 N 3.38 4.30 0.00 4.92 0.04 -1.26 -5.03 135.00 141.35 2sob s PRO 42 Ca 0.34 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2sob s PRO 42 Cb -0.12 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.99 2sob s PRO 42 CO 0.20 -0.52 0.00 -0.85 0.04 0.00 0.00 177.00 175.88 2sob n GLU 43 N 4.75 3.43 -3.78 4.56 0.28 -1.26 -5.07 120.64 123.54 2sob n GLU 43 Ca 0.12 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.83 2sob n GLU 43 Cb 0.43 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.19 2sob n GLU 43 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2sob n THR 44 N 0.00 1.98 0.00 3.84 -2.24 -1.26 -4.83 114.28 111.78 2sob n THR 44 Ca 0.00 -4.97 0.00 0.00 -2.27 0.00 0.00 64.05 56.81 2sob n THR 44 Cb 0.00 -2.20 0.00 0.00 -2.10 0.00 0.00 70.33 66.03 2sob n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2sob n LYS 45 N 1.81 0.00 -3.30 -0.78 4.76 -1.26 -5.06 118.16 114.32 2sob n LYS 45 Ca 0.22 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.43 2sob n LYS 45 Cb 0.36 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.47 2sob n LYS 45 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2sob s HIS 46 N -0.76 0.42 0.28 2.13 3.76 -1.26 -5.12 115.29 114.73 2sob s HIS 46 Ca 0.00 -1.74 -0.30 0.00 -0.15 0.00 0.00 55.06 52.87 2sob s HIS 46 Cb 0.00 -0.65 -0.11 0.00 1.11 0.00 0.00 32.58 32.93 2sob s HIS 46 CO 0.00 -0.92 1.51 -1.25 -0.85 0.00 0.00 174.74 173.23 2sob s PRO 47 N 0.53 4.20 -0.03 8.40 0.04 -1.26 -4.96 135.00 141.93 2sob s PRO 47 Ca 0.28 2.44 -0.30 0.00 0.04 0.00 0.00 61.00 63.46 2sob s PRO 47 Cb -0.04 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 2sob s PRO 47 CO -0.12 -0.52 1.18 0.21 0.04 0.00 0.00 177.00 177.79 2sob s LYS 48 N -0.53 4.39 0.35 4.56 2.20 -1.26 -5.03 119.74 124.42 2sob s LYS 48 Ca 0.61 1.67 0.08 0.00 -0.36 0.00 0.00 55.97 57.97 2sob s LYS 48 Cb -0.45 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.33 2sob s LYS 48 CO 0.46 -0.37 0.15 0.15 -0.36 0.00 0.00 175.35 175.39 2sob s LYS 49 N 1.86 2.36 0.00 4.03 -0.14 -1.26 -4.99 119.74 121.60 2sob s LYS 49 Ca 0.56 -1.58 0.00 0.00 -1.36 0.00 0.00 55.97 53.60 2sob s LYS 49 Cb -0.25 -2.16 0.00 0.00 -1.68 0.00 0.00 37.83 33.73 2sob s LYS 49 CO 0.24 0.08 0.00 0.41 -0.76 0.00 0.00 175.35 175.32 2sob n GLY 50 N -1.17 0.39 1.37 -3.33 0.00 -1.26 -4.88 105.19 96.30 2sob n GLY 50 Ca -0.03 -0.45 0.04 0.00 0.00 0.00 0.00 46.02 45.59 2sob n GLY 50 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2sob n VAL 51 N 0.00 0.28 -2.09 1.61 0.24 -1.26 -5.07 118.33 112.04 2sob n VAL 51 Ca 0.00 -1.27 -0.43 0.00 -2.04 0.00 0.00 64.34 60.61 2sob n VAL 51 Cb 0.00 0.83 -0.03 0.00 -1.47 0.00 0.00 33.84 33.18 2sob n VAL 51 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2sob s GLU 52 N -0.41 3.89 -0.35 7.34 1.03 -1.26 -4.81 118.70 124.13 2sob s GLU 52 Ca 0.34 1.79 0.12 0.00 0.03 0.00 0.00 54.97 57.25 2sob s GLU 52 Cb 0.38 -4.02 0.41 0.00 -0.80 0.00 0.00 34.13 30.10 2sob s GLU 52 CO -0.15 -1.18 1.50 1.17 -1.33 0.00 0.00 175.26 175.26 2sob n LYS 53 N 7.51 1.34 0.02 -4.83 4.81 -1.26 -4.98 118.16 120.78 2sob n LYS 53 Ca 0.18 -1.40 -0.19 0.00 -0.87 0.00 0.00 58.31 56.03 2sob n LYS 53 Cb 0.45 0.27 -0.14 0.00 0.02 0.00 0.00 35.03 35.63 2sob n LYS 53 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 2sob h TYR 54 N 1.25 0.44 0.00 5.64 5.03 -2.04 -3.49 116.97 123.81 2sob h TYR 54 Ca -0.41 -0.32 0.00 0.00 2.58 0.00 0.00 58.73 60.58 2sob h TYR 54 Cb 1.30 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.56 2sob h TYR 54 CO -0.01 1.31 0.00 0.41 -1.32 0.00 0.00 178.16 178.55 2sob n GLY 55 N 1.67 1.86 0.00 1.82 0.00 -1.26 -4.05 105.19 105.23 2sob n GLY 55 Ca -0.16 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2sob n GLY 55 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2sob n PRO 56 N 2.97 0.00 -4.25 1.61 -0.02 -1.26 -4.19 135.00 129.85 2sob n PRO 56 Ca 0.00 0.55 -0.32 0.00 -2.02 0.00 0.00 63.50 61.70 2sob n PRO 56 Cb 0.00 -1.41 -0.07 0.00 -0.02 0.00 0.00 33.50 32.00 2sob n PRO 56 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2sob n GLU 57 N -1.98 -1.82 0.00 -0.52 0.28 -1.26 0.11 120.64 115.46 2sob n GLU 57 Ca 0.00 0.22 0.00 0.00 -0.16 0.00 0.00 57.16 57.22 2sob n GLU 57 Cb 0.00 -4.23 0.00 0.00 1.43 0.00 0.00 31.44 28.64 2sob n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2sob n ALA 58 N -4.42 0.00 -0.05 -1.84 0.00 -1.26 -4.80 120.51 108.13 2sob n ALA 58 Ca -0.19 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.10 2sob n ALA 58 Cb 0.63 -0.02 -0.13 0.00 0.00 0.00 0.00 19.45 19.93 2sob n ALA 58 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2sob h SER 59 N 0.00 0.06 0.36 0.00 0.87 0.53 -3.30 113.55 112.08 2sob h SER 59 Ca 0.00 -0.99 -0.05 0.00 -1.23 0.00 0.00 61.79 59.52 2sob h SER 59 Cb 0.00 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2sob h SER 59 CO 0.00 1.06 -0.23 0.00 -0.53 0.00 0.00 176.83 177.13 2sob h ALA 60 N 0.00 1.39 -0.07 6.23 0.00 -1.58 -2.03 119.26 123.21 2sob h ALA 60 Ca -0.02 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.70 2sob h ALA 60 Cb 1.09 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2sob h ALA 60 CO 0.02 0.29 0.10 0.74 0.00 0.00 0.00 179.25 180.40 2sob h PHE 61 N 0.00 0.00 0.09 0.00 0.04 -1.83 0.51 116.94 115.75 2sob h PHE 61 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 2sob h PHE 61 Cb 0.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.62 2sob h PHE 61 CO 0.00 0.00 -0.04 1.15 -0.60 0.00 0.00 178.31 178.82 2sob h THR 62 N 0.00 1.02 -0.00 -1.55 2.02 -1.48 -3.32 112.91 109.60 2sob h THR 62 Ca 0.03 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.80 2sob h THR 62 Cb 0.24 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 2sob h THR 62 CO -0.00 0.29 -0.09 0.29 0.37 0.00 0.00 175.52 176.38 2sob n LYS 63 N -4.82 0.23 0.13 6.66 5.02 -0.88 -3.51 118.16 120.99 2sob n LYS 63 Ca -0.07 -0.05 0.12 0.00 -2.02 0.00 0.00 58.31 56.29 2sob n LYS 63 Cb 0.28 -1.50 0.48 0.00 -0.02 0.00 0.00 35.03 34.27 2sob n LYS 63 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2sob n LYS 64 N -1.34 0.21 -0.04 1.97 -0.00 0.17 -2.75 118.16 116.37 2sob n LYS 64 Ca 0.10 0.39 0.17 0.00 -0.00 0.00 0.00 58.31 58.96 2sob n LYS 64 Cb 0.30 -1.87 0.60 0.00 -0.00 0.00 0.00 35.03 34.07 2sob n LYS 64 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 2sob h MET 65 N 0.00 0.18 0.00 -1.58 4.05 -1.72 0.46 114.93 116.32 2sob h MET 65 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2sob h MET 65 Cb 0.44 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.20 2sob h MET 65 CO 0.00 0.12 -0.25 1.47 0.23 0.00 0.00 176.91 178.48 2sob n LEU 66 N -4.43 0.65 0.09 3.39 -0.00 -1.11 -1.41 117.00 114.18 2sob n LEU 66 Ca 0.10 0.41 -0.15 0.00 -0.00 0.00 0.00 56.01 56.37 2sob n LEU 66 Cb 0.51 -0.29 -0.14 0.00 -0.00 0.00 0.00 43.42 43.50 2sob n LEU 66 CO 0.35 -0.09 -0.08 -0.33 -0.00 0.00 0.00 177.39 177.24 2sob h GLU 67 N 0.00 0.23 -0.00 1.47 3.07 -0.25 -3.33 114.58 115.77 2sob h GLU 67 Ca 0.00 -0.40 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 2sob h GLU 67 Cb 0.69 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.75 2sob h GLU 67 CO 0.00 1.17 -0.84 0.27 -1.40 0.00 0.00 179.01 178.20 2sob n ASN 68 N -3.49 0.93 -4.87 1.42 0.23 -0.88 -4.85 115.26 103.75 2sob n ASN 68 Ca -0.09 -0.97 -0.30 0.00 -0.53 0.00 0.00 54.58 52.69 2sob n ASN 68 Cb 1.02 0.97 0.05 0.00 -2.08 0.00 0.00 39.78 39.73 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 -2.71 2.82 -0.07 -2.53 0.00 -0.50 -5.01 121.76 113.75 2sob s ALA 69 Ca 0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 2sob s ALA 69 Cb 0.14 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 2sob s ALA 69 CO 0.74 -1.18 -0.08 1.17 0.00 0.00 0.00 175.76 176.41 2sob n LYS 70 N -3.05 0.17 -3.33 0.00 0.00 -1.26 -4.76 118.16 105.92 2sob n LYS 70 Ca 0.07 0.06 -0.38 0.00 0.00 0.00 0.00 58.31 58.06 2sob n LYS 70 Cb 0.57 -0.96 -0.06 0.00 0.00 0.00 0.00 35.03 34.58 2sob n LYS 70 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2sob s LYS 71 N -2.14 4.33 0.27 1.64 -0.14 -1.26 -4.87 119.74 117.56 2sob s LYS 71 Ca -0.10 0.41 0.02 0.00 -1.36 0.00 0.00 55.97 54.94 2sob s LYS 71 Cb 0.03 -3.44 -0.05 0.00 -1.68 0.00 0.00 37.83 32.69 2sob s LYS 71 CO 0.15 0.16 0.07 0.42 -0.76 0.00 0.00 175.35 175.39 2sob s ILE 72 N 0.63 0.77 -0.46 2.17 1.01 -1.26 -3.00 121.20 121.06 2sob s ILE 72 Ca 0.25 -2.00 0.06 0.00 0.00 0.00 0.00 60.65 58.96 2sob s ILE 72 Cb -0.15 -2.61 0.22 0.00 0.01 0.00 0.00 42.46 39.93 2sob s ILE 72 CO 0.10 -0.07 0.68 -0.62 0.00 0.00 0.00 174.94 175.03 2sob n GLU 73 N -0.50 0.63 -1.49 2.79 1.02 -0.75 -2.75 120.64 119.59 2sob n GLU 73 Ca -0.01 -2.38 -0.43 0.00 -0.02 0.00 0.00 57.16 54.31 2sob n GLU 73 Cb 0.66 -1.43 -0.08 0.00 -0.02 0.00 0.00 31.44 30.57 2sob n GLU 73 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2sob n VAL 74 N 2.02 0.04 -2.90 2.62 0.31 0.16 -3.48 118.33 117.09 2sob n VAL 74 Ca 0.17 -0.37 -0.44 0.00 -0.01 0.00 0.00 64.34 63.70 2sob n VAL 74 Cb 0.57 -1.70 -0.03 0.00 -0.91 0.00 0.00 33.84 31.76 2sob n VAL 74 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2sob s GLU 75 N 7.69 3.38 -0.38 5.55 2.02 -0.55 -3.37 118.70 133.04 2sob s GLU 75 Ca 1.13 -1.37 0.13 0.00 0.02 0.00 0.00 54.97 54.88 2sob s GLU 75 Cb -0.75 -4.62 0.41 0.00 0.10 0.00 0.00 34.13 29.27 2sob s GLU 75 CO 0.41 -1.78 0.92 1.97 0.02 0.00 0.00 175.26 176.80 2sob n PHE 76 N 7.02 1.57 -1.19 1.61 -1.74 -1.26 -2.74 117.46 120.74 2sob n PHE 76 Ca 0.11 -3.25 0.15 0.00 -0.56 0.00 0.00 57.45 53.91 2sob n PHE 76 Cb 0.47 -0.35 -0.06 0.00 1.52 0.00 0.00 39.48 41.07 2sob n PHE 76 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 2sob n ASP 77 N -0.06 -7.12 0.13 5.98 2.03 -1.26 -3.12 116.55 113.14 2sob n ASP 77 Ca 0.21 0.85 0.19 0.00 0.52 0.00 0.00 54.79 56.56 2sob n ASP 77 Cb 0.71 -3.84 0.77 0.00 -0.72 0.00 0.00 41.12 38.04 2sob n ASP 77 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 2sob h LYS 78 N -1.14 0.00 0.00 -0.67 2.10 -1.95 -3.36 116.57 111.56 2sob h LYS 78 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2sob h LYS 78 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2sob h LYS 78 CO 0.04 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.90 2sob n GLY 79 N -1.46 -0.55 0.00 0.07 0.00 -1.25 -5.06 105.19 96.95 2sob n GLY 79 Ca 0.05 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.90 2sob n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2sob n GLN 80 N 0.00 0.26 -0.39 1.61 6.02 -1.18 -5.03 117.38 118.67 2sob n GLN 80 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2sob n GLN 80 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2sob n GLN 80 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2sob n ARG 81 N -0.62 0.01 -3.76 -1.09 1.85 -1.26 -5.05 116.66 106.73 2sob n ARG 81 Ca 0.00 -0.91 -0.35 0.00 -1.00 0.00 0.00 57.85 55.59 2sob n ARG 81 Cb 0.00 -0.51 -0.09 0.00 -1.05 0.00 0.00 32.46 30.82 2sob n ARG 81 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2sob s THR 82 N -0.02 5.28 -0.36 8.89 -4.23 -1.25 -4.94 115.64 119.00 2sob s THR 82 Ca 0.00 0.14 0.06 0.00 -1.18 0.00 0.00 61.69 60.71 2sob s THR 82 Cb 0.00 -3.42 0.25 0.00 1.34 0.00 0.00 72.50 70.67 2sob s THR 82 CO 0.00 0.42 1.23 -0.67 -0.54 0.00 0.00 174.62 175.06 2sob n ASP 83 N 3.71 -1.59 0.10 3.99 2.03 -1.26 -3.42 116.55 120.12 2sob n ASP 83 Ca -0.16 -2.15 0.00 0.00 0.52 0.00 0.00 54.79 53.00 2sob n ASP 83 Cb 0.52 1.05 0.00 0.00 -0.72 0.00 0.00 41.12 41.97 2sob n ASP 83 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2sob n LYS 84 N -0.50 0.00 -0.01 -0.67 0.00 -1.26 -4.80 118.16 110.92 2sob n LYS 84 Ca -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 58.31 58.17 2sob n LYS 84 Cb 0.76 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.77 2sob n LYS 84 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 2sob n TYR 85 N -2.91 0.00 0.22 5.64 4.11 -1.26 -4.74 117.16 118.21 2sob n TYR 85 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 57.99 2sob n TYR 85 Cb 0.00 -0.09 -0.13 0.00 -0.00 0.00 0.00 39.34 39.12 2sob n TYR 85 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2sob n GLY 86 N 3.08 -0.79 7.00 -7.48 0.00 -1.26 -5.06 105.19 100.69 2sob n GLY 86 Ca -0.04 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2sob n GLY 86 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2sob n ARG 87 N -1.94 0.00 -2.49 1.61 0.00 -1.22 -3.15 116.66 109.47 2sob n ARG 87 Ca -0.02 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.44 2sob n ARG 87 Cb 0.42 0.00 -0.03 0.00 -0.00 0.00 0.00 32.46 32.85 2sob n ARG 87 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2sob s VAL 88 N 0.00 3.85 -1.53 8.89 1.01 -1.24 -3.92 120.40 127.47 2sob s VAL 88 Ca 0.00 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 2sob s VAL 88 Cb 0.00 -4.92 -0.01 0.00 0.00 0.00 0.00 36.38 31.45 2sob s VAL 88 CO 0.00 -1.81 2.59 0.18 0.00 0.00 0.00 175.10 176.06 2sob n LEU 89 N 9.55 7.86 0.00 3.92 4.77 -1.19 -4.04 117.00 137.87 2sob n LEU 89 Ca 0.32 -4.31 0.00 0.00 -0.03 0.00 0.00 56.01 52.00 2sob n LEU 89 Cb 0.50 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.00 2sob n LEU 89 CO 0.66 1.64 0.00 0.00 -1.33 0.00 0.00 177.39 178.36 2sob n ALA 90 N 4.57 0.00 -3.46 -1.18 0.00 -1.26 -4.62 120.51 114.56 2sob n ALA 90 Ca 0.65 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.97 2sob n ALA 90 Cb 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 2sob n ALA 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2sob s TYR 91 N 2.08 -0.50 -0.03 0.00 2.02 -1.11 -3.94 117.35 115.88 2sob s TYR 91 Ca 0.00 0.41 -0.03 0.00 -0.37 0.00 0.00 57.07 57.08 2sob s TYR 91 Cb 0.00 0.53 -0.04 0.00 -0.40 0.00 0.00 41.96 42.05 2sob s TYR 91 CO 0.00 -0.72 0.14 0.42 -1.57 0.00 0.00 175.55 173.81 2sob s ILE 92 N -3.18 5.16 -0.48 2.71 -1.09 -1.26 -1.48 121.20 121.58 2sob s ILE 92 Ca 0.00 -0.20 0.07 0.00 -2.23 0.00 0.00 60.65 58.30 2sob s ILE 92 Cb -0.01 -3.37 0.23 0.00 -1.58 0.00 0.00 42.46 37.74 2sob s ILE 92 CO -0.09 0.39 0.55 -1.22 -1.23 0.00 0.00 174.94 173.34 2sob n TYR 93 N 1.22 0.86 -4.48 3.97 4.02 -1.23 -3.12 117.16 118.40 2sob n TYR 93 Ca -0.13 -3.73 -0.33 0.00 -0.01 0.00 0.00 57.90 53.69 2sob n TYR 93 Cb 0.53 -0.33 -0.15 0.00 -0.02 0.00 0.00 39.34 39.37 2sob n TYR 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2sob s ALA 94 N -1.36 2.61 -0.55 -0.72 0.00 -1.26 -1.81 121.76 118.66 2sob s ALA 94 Ca 0.35 -1.01 -0.21 0.00 0.00 0.00 0.00 51.96 51.09 2sob s ALA 94 Cb 0.13 -1.32 0.03 0.00 0.00 0.00 0.00 23.12 21.96 2sob s ALA 94 CO -0.10 -0.01 0.64 -3.47 0.00 0.00 0.00 175.76 172.82 2sob n ASP 95 N 4.01 -6.30 -3.22 0.00 2.03 -1.16 -2.50 116.55 109.41 2sob n ASP 95 Ca -0.19 -0.13 -0.23 0.00 0.52 0.00 0.00 54.79 54.76 2sob n ASP 95 Cb 0.52 -3.08 0.03 0.00 -0.72 0.00 0.00 41.12 37.87 2sob n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2sob n GLY 96 N -0.70 -0.52 0.00 0.27 0.00 -1.26 -4.95 105.19 98.04 2sob n GLY 96 Ca -0.07 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2sob n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2sob n LYS 97 N -4.13 0.00 -1.17 1.61 3.00 -1.04 -4.64 118.16 111.79 2sob n LYS 97 Ca -0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.15 2sob n LYS 97 Cb 0.59 -0.03 -0.04 0.00 0.00 0.00 0.00 35.03 35.55 2sob n LYS 97 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2sob n MET 98 N 0.00 -1.62 -2.41 1.64 2.81 -1.18 -0.94 117.12 115.41 2sob n MET 98 Ca 0.00 0.71 -0.11 0.00 -1.81 0.00 0.00 57.70 56.49 2sob n MET 98 Cb 0.00 -4.88 -0.01 0.00 -0.71 0.00 0.00 33.22 27.62 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 -1.83 -0.51 0.58 2.03 3.14 -1.26 -4.80 118.33 115.69 2sob n VAL 99 Ca -0.09 0.00 0.10 0.00 -2.96 0.00 0.00 64.34 61.38 2sob n VAL 99 Cb 0.46 -1.55 0.41 0.00 -1.06 0.00 0.00 33.84 32.10 2sob n VAL 99 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2sob n ASN 100 N -1.72 0.20 -0.54 6.55 4.13 -0.12 -3.22 115.26 120.53 2sob n ASN 100 Ca -0.13 0.54 0.00 0.00 1.68 0.00 0.00 54.58 56.67 2sob n ASN 100 Cb 0.59 -0.59 0.02 0.00 -1.54 0.00 0.00 39.78 38.26 2sob n ASN 100 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2sob n GLU 101 N -1.71 1.17 -1.89 3.52 2.13 -1.26 -4.88 120.64 117.72 2sob n GLU 101 Ca 0.04 -0.14 -0.31 0.00 0.66 0.00 0.00 57.16 57.41 2sob n GLU 101 Cb 0.23 -1.51 0.02 0.00 0.27 0.00 0.00 31.44 30.45 2sob n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2sob s ALA 102 N -1.12 3.05 -2.00 4.31 0.00 -1.20 -4.16 121.76 120.64 2sob s ALA 102 Ca 0.02 -0.17 0.15 0.00 0.00 0.00 0.00 51.96 51.96 2sob s ALA 102 Cb 0.02 -3.05 0.87 0.00 0.00 0.00 0.00 23.12 20.96 2sob s ALA 102 CO 0.01 -0.82 1.29 1.28 0.00 0.00 0.00 175.76 177.52