#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 1.11 -3.04 0.00 -2.24 -1.26 -4.98 114.28 103.87 2sob n THR 2 Ca 0.00 -4.42 -0.05 0.00 -2.27 0.00 0.00 64.05 57.31 2sob n THR 2 Cb 0.00 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 2sob n THR 2 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2sob n SER 3 N -0.01 -7.64 -4.44 3.42 2.88 -1.26 -5.03 113.62 101.53 2sob n SER 3 Ca 0.24 0.09 -0.27 0.00 -1.33 0.00 0.00 58.87 57.60 2sob n SER 3 Cb 0.65 -5.05 -0.11 0.00 -0.75 0.00 0.00 64.21 58.95 2sob n SER 3 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2sob s THR 4 N -2.82 2.45 0.26 2.46 -1.32 -1.26 -5.02 115.64 110.39 2sob s THR 4 Ca 0.10 -2.03 0.00 0.00 -1.21 0.00 0.00 61.69 58.55 2sob s THR 4 Cb -0.03 -2.19 0.00 0.00 -1.51 0.00 0.00 72.50 68.78 2sob s THR 4 CO 0.77 -0.14 0.00 0.29 -2.21 0.00 0.00 174.62 173.33 2sob n LYS 5 N 0.16 -3.39 0.00 7.08 4.76 -1.26 -4.80 118.16 120.72 2sob n LYS 5 Ca -0.12 2.45 0.00 0.00 -2.87 0.00 0.00 58.31 57.78 2sob n LYS 5 Cb 0.56 -2.71 0.00 0.00 -1.84 0.00 0.00 35.03 31.05 2sob n LYS 5 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2sob n LYS 6 N 0.07 0.00 -1.75 1.97 4.76 -1.26 -3.33 118.16 118.62 2sob n LYS 6 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 2sob n LYS 6 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 2sob n LYS 6 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2sob s LEU 7 N -3.49 3.20 -0.06 -0.35 1.43 -1.26 0.51 118.68 118.65 2sob s LEU 7 Ca 0.00 0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 2sob s LEU 7 Cb 0.00 -2.53 0.01 0.00 0.03 0.00 0.00 46.19 43.70 2sob s LEU 7 CO 0.00 -3.02 -0.14 -2.28 0.23 0.00 0.00 176.35 171.14 2sob s HIS 8 N 11.88 1.58 0.27 0.29 2.46 -1.26 -4.92 115.29 125.60 2sob s HIS 8 Ca 0.85 -0.54 -0.30 0.00 0.47 0.00 0.00 55.06 55.54 2sob s HIS 8 Cb -0.13 -1.12 -0.10 0.00 -0.13 0.00 0.00 32.58 31.10 2sob s HIS 8 CO 0.16 -0.24 1.41 0.15 -2.47 0.00 0.00 174.74 173.74 2sob s LYS 9 N 0.42 4.28 -0.27 2.88 1.02 -1.26 -3.76 119.74 123.05 2sob s LYS 9 Ca -0.11 2.29 -0.03 0.00 0.02 0.00 0.00 55.97 58.14 2sob s LYS 9 Cb -0.14 -3.10 0.15 0.00 -0.52 0.00 0.00 37.83 34.22 2sob s LYS 9 CO 0.04 -0.37 0.49 -1.21 -0.92 0.00 0.00 175.35 173.37 2sob s GLU 10 N -0.77 0.45 0.30 1.68 2.02 -1.14 -4.85 118.70 116.39 2sob s GLU 10 Ca 0.57 0.84 -0.27 0.00 0.02 0.00 0.00 54.97 56.13 2sob s GLU 10 Cb -0.41 0.12 -0.14 0.00 0.10 0.00 0.00 34.13 33.79 2sob s GLU 10 CO 0.46 -0.56 0.86 -2.30 0.02 0.00 0.00 175.26 173.74 2sob n PRO 11 N 5.40 1.00 -0.03 0.39 -0.02 -1.03 -0.40 135.00 140.30 2sob n PRO 11 Ca -0.04 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2sob n PRO 11 Cb 0.50 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 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 -0.02 0.00 -3.15 3.55 0.00 0.66 -3.27 120.51 118.29 2sob n ALA 12 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.59 2sob n ALA 12 Cb 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 1.01 -0.99 -0.16 0.00 -1.32 0.11 -4.55 115.64 109.75 2sob s THR 13 Ca 0.00 0.00 -0.41 0.00 -1.21 0.00 0.00 61.69 60.07 2sob s THR 13 Cb 0.00 -0.99 -0.18 0.00 -1.51 0.00 0.00 72.50 69.82 2sob s THR 13 CO 0.00 0.00 1.45 0.00 -2.21 0.00 0.00 174.62 173.86 2sob n LEU 14 N 5.42 1.41 -0.05 9.08 -0.00 -1.26 -2.40 117.00 129.20 2sob n LEU 14 Ca 0.05 1.13 -0.05 0.00 -0.00 0.00 0.00 56.01 57.13 2sob n LEU 14 Cb 0.54 -1.05 -0.02 0.00 -0.00 0.00 0.00 43.42 42.89 2sob n LEU 14 CO -0.05 -1.01 -0.39 -0.38 -0.00 0.00 0.00 177.39 175.55 2sob n ILE 15 N 3.20 0.96 -3.18 1.47 5.41 -0.58 -4.87 119.36 121.76 2sob n ILE 15 Ca 0.24 0.27 0.02 0.00 1.00 0.00 0.00 62.75 64.27 2sob n ILE 15 Cb 0.10 -1.98 -0.01 0.00 -0.71 0.00 0.00 39.64 37.04 2sob n ILE 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2sob s LYS 16 N -2.18 0.59 -0.24 0.38 1.02 -0.30 -5.03 119.74 113.97 2sob s LYS 16 Ca -0.17 0.36 -0.32 0.00 0.02 0.00 0.00 55.97 55.86 2sob s LYS 16 Cb 0.02 0.16 -0.09 0.00 -0.52 0.00 0.00 37.83 37.41 2sob s LYS 16 CO 0.25 -1.07 2.16 0.00 -0.92 0.00 0.00 175.35 175.76 2sob n ALA 17 N 5.23 1.37 0.21 5.17 0.00 -1.26 -3.10 120.51 128.14 2sob n ALA 17 Ca 0.06 -0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.50 2sob n ALA 17 Cb 0.54 -2.71 0.63 0.00 0.00 0.00 0.00 19.45 17.91 2sob n ALA 17 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2sob h ILE 18 N 6.85 0.98 -2.49 0.00 2.04 -1.88 -3.46 117.51 119.55 2sob h ILE 18 Ca -0.37 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2sob h ILE 18 Cb 1.28 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 2sob h ILE 18 CO 0.98 0.01 -0.44 0.47 0.00 0.00 0.00 178.15 179.17 2sob n ASP 19 N -4.52 -5.25 0.00 1.72 8.00 -1.23 -4.95 116.55 110.33 2sob n ASP 19 Ca -0.01 0.64 0.00 0.00 0.71 0.00 0.00 54.79 56.13 2sob n ASP 19 Cb 0.14 -2.79 0.00 0.00 -0.02 0.00 0.00 41.12 38.45 2sob n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2sob n GLY 20 N 0.81 1.60 0.54 0.44 0.00 -1.26 -4.81 105.19 102.51 2sob n GLY 20 Ca 0.00 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 1.09 -4.75 1.61 8.00 -1.26 -4.34 116.55 116.90 2sob n ASP 21 Ca 0.00 0.19 -0.23 0.00 0.71 0.00 0.00 54.79 55.46 2sob n ASP 21 Cb 0.00 -0.45 -0.05 0.00 -0.02 0.00 0.00 41.12 40.60 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 -2.29 4.07 0.09 -3.53 2.01 -1.26 -4.10 115.64 110.63 2sob s THR 22 Ca -0.20 -1.57 0.10 0.00 0.31 0.00 0.00 61.69 60.32 2sob s THR 22 Cb 0.07 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 2sob s THR 22 CO 0.26 -0.34 -0.26 0.68 -0.69 0.00 0.00 174.62 174.26 2sob s VAL 23 N -2.17 2.14 -0.49 3.82 -7.23 -1.26 -3.58 120.40 111.62 2sob s VAL 23 Ca 0.32 -1.57 -0.12 0.00 -1.81 0.00 0.00 61.98 58.80 2sob s VAL 23 Cb -0.07 -1.87 0.12 0.00 0.56 0.00 0.00 36.38 35.11 2sob s VAL 23 CO 0.23 0.19 0.40 -0.75 -0.31 0.00 0.00 175.10 174.86 2sob s LYS 24 N -1.68 2.66 0.01 4.82 2.20 -1.18 -2.86 119.74 123.70 2sob s LYS 24 Ca 0.12 -1.73 0.02 0.00 -0.36 0.00 0.00 55.97 54.01 2sob s LYS 24 Cb -0.10 -4.05 -0.01 0.00 -1.51 0.00 0.00 37.83 32.16 2sob s LYS 24 CO 0.04 -1.23 -0.06 -0.48 -0.36 0.00 0.00 175.35 173.26 2sob s LEU 25 N 1.45 2.07 -0.22 5.43 2.34 -1.21 -1.15 118.68 127.38 2sob s LEU 25 Ca 0.05 -0.21 -0.15 0.00 0.06 0.00 0.00 54.13 53.88 2sob s LEU 25 Cb -0.27 -0.23 -0.04 0.00 -0.56 0.00 0.00 46.19 45.08 2sob s LEU 25 CO 0.01 -0.01 0.38 -0.32 -1.06 0.00 0.00 176.35 175.35 2sob s MET 26 N -0.49 4.12 0.00 1.48 -2.45 -1.01 -3.06 119.30 117.90 2sob s MET 26 Ca -0.01 0.13 -0.02 0.00 -1.25 0.00 0.00 55.69 54.54 2sob s MET 26 Cb -0.04 -3.57 -0.10 0.00 1.25 0.00 0.00 34.83 32.37 2sob s MET 26 CO -0.00 -0.10 2.59 2.48 1.05 0.00 0.00 175.02 181.04 2sob n TYR 27 N 4.71 0.00 -3.43 4.11 0.18 -1.24 0.04 117.16 121.53 2sob n TYR 27 Ca -0.09 -1.18 -0.22 0.00 1.88 0.00 0.00 57.90 58.30 2sob n TYR 27 Cb 0.51 -0.91 0.06 0.00 -0.38 0.00 0.00 39.34 38.61 2sob n TYR 27 CO 0.00 0.00 0.00 1.17 -2.08 0.00 0.00 176.86 175.95 2sob n LYS 28 N 1.89 -1.78 0.00 -3.48 4.81 -1.20 -4.66 118.16 113.73 2sob n LYS 28 Ca 0.16 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 2sob n LYS 28 Cb 0.65 -5.08 0.00 0.00 0.02 0.00 0.00 35.03 30.62 2sob n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2sob n GLY 29 N -1.44 0.74 3.57 3.14 0.00 -1.26 -5.07 105.19 104.87 2sob n GLY 29 Ca -0.08 -0.06 -0.00 0.00 0.00 0.00 0.00 46.02 45.88 2sob n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2sob s GLN 30 N 0.00 0.50 -0.27 1.61 0.74 -1.26 -5.11 119.66 115.86 2sob s GLN 30 Ca 0.00 1.24 -0.29 0.00 0.05 0.00 0.00 55.36 56.36 2sob s GLN 30 Cb 0.00 0.75 -0.03 0.00 1.10 0.00 0.00 33.01 34.83 2sob s GLN 30 CO 0.00 -0.18 1.84 -1.25 -0.55 0.00 0.00 175.29 175.15 2sob s PRO 31 N 2.77 3.43 0.23 1.67 0.04 -1.26 -3.63 135.00 138.25 2sob s PRO 31 Ca -0.04 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2sob s PRO 31 Cb -0.10 -4.19 -0.00 0.00 0.04 0.00 0.00 34.50 30.24 2sob s PRO 31 CO -0.19 -1.74 0.01 -1.33 0.04 0.00 0.00 177.00 173.80 2sob n MET 32 N 8.29 1.32 -4.02 4.56 2.81 -1.17 -4.93 117.12 123.97 2sob n MET 32 Ca 0.23 -1.72 -0.31 0.00 -1.81 0.00 0.00 57.70 54.09 2sob n MET 32 Cb 0.46 0.53 -0.15 0.00 -0.71 0.00 0.00 33.22 33.35 2sob n MET 32 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 2sob s THR 33 N -1.93 1.96 0.36 2.03 -1.32 -1.26 -3.32 115.64 112.15 2sob s THR 33 Ca 0.02 -1.52 -0.06 0.00 -1.21 0.00 0.00 61.69 58.92 2sob s THR 33 Cb 0.00 -2.13 0.09 0.00 -1.51 0.00 0.00 72.50 68.95 2sob s THR 33 CO 0.01 -0.07 0.40 0.49 -2.21 0.00 0.00 174.62 173.25 2sob n PHE 34 N 4.51 -3.68 -1.77 9.09 3.01 -1.14 -0.91 117.46 126.57 2sob n PHE 34 Ca -0.13 -0.36 -0.28 0.00 1.01 0.00 0.00 57.45 57.69 2sob n PHE 34 Cb 0.43 -0.36 0.20 0.00 -0.01 0.00 0.00 39.48 39.74 2sob n PHE 34 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 2sob n ARG 35 N -2.24 -1.42 -2.30 -1.08 1.85 -1.16 -4.50 116.66 105.81 2sob n ARG 35 Ca 0.05 -1.90 -0.30 0.00 -1.00 0.00 0.00 57.85 54.70 2sob n ARG 35 Cb 0.19 -1.32 0.01 0.00 -1.05 0.00 0.00 32.46 30.30 2sob n ARG 35 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 2sob n LEU 36 N 0.00 5.48 0.00 2.89 -0.00 -1.26 -4.23 117.00 119.88 2sob n LEU 36 Ca 0.16 -5.09 0.00 0.00 -0.00 0.00 0.00 56.01 51.07 2sob n LEU 36 Cb 0.54 -0.62 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 2sob n LEU 36 CO 0.39 2.10 -0.28 -0.11 -0.00 0.00 0.00 177.39 179.50 2sob n LEU 37 N -0.51 1.05 0.27 1.47 7.94 -1.26 -4.75 117.00 121.22 2sob n LEU 37 Ca 0.43 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.45 2sob n LEU 37 Cb 0.56 0.00 0.77 0.00 0.53 0.00 0.00 43.42 45.28 2sob n LEU 37 CO 0.39 0.09 1.07 0.25 -1.11 0.00 0.00 177.39 178.08 2sob h LEU 38 N 0.00 0.00 0.00 -1.96 7.12 -1.84 -3.41 115.31 115.22 2sob h LEU 38 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2sob h LEU 38 Cb 0.56 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.69 2sob h LEU 38 CO 0.00 0.03 0.00 0.52 -0.13 0.00 0.00 178.44 178.86 2sob n VAL 39 N -4.10 0.00 -2.74 1.05 0.31 -1.26 -4.96 118.33 106.62 2sob n VAL 39 Ca -0.03 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.22 2sob n VAL 39 Cb 0.11 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.11 2sob n VAL 39 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2sob n ASP 40 N 0.00 -2.60 -3.69 4.52 2.03 -1.26 -4.98 116.55 110.57 2sob n ASP 40 Ca 0.00 -3.40 -0.14 0.00 0.52 0.00 0.00 54.79 51.77 2sob n ASP 40 Cb 0.00 1.83 -0.08 0.00 -0.72 0.00 0.00 41.12 42.15 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 0.49 0.02 1.14 5.18 2.01 -1.26 -4.89 115.64 118.34 2sob s THR 41 Ca 0.28 -0.17 -0.13 0.00 0.31 0.00 0.00 61.69 61.97 2sob s THR 41 Cb 0.26 -0.73 0.27 0.00 0.01 0.00 0.00 72.50 72.31 2sob s THR 41 CO -0.16 -0.10 1.04 -2.16 -0.69 0.00 0.00 174.62 172.55 2sob s PRO 42 N -0.65 -0.74 -0.53 4.92 0.04 -1.26 -4.91 135.00 131.87 2sob s PRO 42 Ca -0.07 0.65 -0.02 0.00 0.04 0.00 0.00 61.00 61.60 2sob s PRO 42 Cb -0.03 -1.59 0.35 0.00 0.04 0.00 0.00 34.50 33.27 2sob s PRO 42 CO 0.04 -3.55 2.04 -0.85 0.04 0.00 0.00 177.00 174.72 2sob n GLU 43 N -4.77 2.34 -0.82 4.56 0.28 -1.26 -4.88 120.64 116.09 2sob n GLU 43 Ca 0.04 -2.62 0.00 0.00 -0.16 0.00 0.00 57.16 54.42 2sob n GLU 43 Cb 0.56 -2.03 0.00 0.00 1.43 0.00 0.00 31.44 31.40 2sob n GLU 43 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2sob n THR 44 N -0.41 -3.24 -3.64 3.84 -1.04 -1.26 -5.00 114.28 103.53 2sob n THR 44 Ca 0.50 1.24 -0.28 0.00 -2.04 0.00 0.00 64.05 63.47 2sob n THR 44 Cb 0.62 -1.73 -0.16 0.00 -1.82 0.00 0.00 70.33 67.25 2sob n THR 44 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2sob s LYS 45 N -4.80 0.35 -0.12 -2.82 0.00 -1.26 -5.03 119.74 106.05 2sob s LYS 45 Ca 0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 55.97 55.39 2sob s LYS 45 Cb 0.00 -1.72 -0.11 0.00 0.00 0.00 0.00 37.83 36.00 2sob s LYS 45 CO 0.00 -0.82 0.30 0.45 0.00 0.00 0.00 175.35 175.28 2sob h HIS 46 N 8.32 0.00 0.29 1.78 3.86 -2.03 -3.39 115.15 123.99 2sob h HIS 46 Ca -0.17 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.03 2sob h HIS 46 Cb 1.08 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.54 2sob h HIS 46 CO 0.26 0.47 -0.18 -1.35 0.86 0.00 0.00 177.93 177.99 2sob h PRO 47 N -1.00 -0.43 -6.82 2.45 0.11 -2.05 -3.43 132.00 120.82 2sob h PRO 47 Ca -0.02 0.03 -0.49 0.00 0.11 0.00 0.00 66.00 65.63 2sob h PRO 47 Cb 0.50 0.10 0.03 0.00 0.11 0.00 0.00 31.00 31.73 2sob h PRO 47 CO -0.01 -0.29 0.04 0.15 -0.21 0.00 0.00 178.00 177.68 2sob s LYS 48 N -6.12 3.55 -0.42 1.05 -0.14 -1.26 -5.06 119.74 111.35 2sob s LYS 48 Ca -0.15 0.10 -0.07 0.00 -1.36 0.00 0.00 55.97 54.49 2sob s LYS 48 Cb 0.05 -2.45 0.09 0.00 -1.68 0.00 0.00 37.83 33.85 2sob s LYS 48 CO 0.64 -0.10 0.25 -1.59 -0.76 0.00 0.00 175.35 173.79 2sob s LYS 49 N -4.54 2.44 0.03 1.68 0.00 -1.26 -4.73 119.74 113.36 2sob s LYS 49 Ca 0.46 -1.59 -0.01 0.00 0.00 0.00 0.00 55.97 54.84 2sob s LYS 49 Cb -0.10 -3.73 -0.04 0.00 0.00 0.00 0.00 37.83 33.96 2sob s LYS 49 CO 0.41 -1.00 0.19 0.20 0.00 0.00 0.00 175.35 175.15 2sob s GLY 50 N 2.11 2.17 -0.53 0.59 0.00 -1.26 -5.01 107.32 105.39 2sob s GLY 50 Ca 0.04 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 43.96 2sob s GLY 50 CO -0.00 -0.76 1.75 -0.62 0.00 0.00 0.00 173.10 173.47 2sob n VAL 51 N 0.56 3.23 -1.60 1.40 0.31 -1.26 -4.58 118.33 116.39 2sob n VAL 51 Ca -0.07 -3.24 -0.15 0.00 -0.01 0.00 0.00 64.34 60.86 2sob n VAL 51 Cb 0.52 -1.07 0.13 0.00 -0.91 0.00 0.00 33.84 32.51 2sob n VAL 51 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2sob n GLU 52 N -0.88 2.48 -3.08 5.55 0.00 -1.26 -5.02 120.64 118.43 2sob n GLU 52 Ca 0.56 -3.49 -0.19 0.00 0.00 0.00 0.00 57.16 54.04 2sob n GLU 52 Cb 0.83 -2.03 0.01 0.00 0.00 0.00 0.00 31.44 30.25 2sob n GLU 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 2sob s LYS 53 N -3.45 2.89 -0.54 5.31 0.00 -1.26 -4.63 119.74 118.04 2sob s LYS 53 Ca 0.50 -1.04 -0.12 0.00 0.00 0.00 0.00 55.97 55.31 2sob s LYS 53 Cb 0.43 -2.72 0.02 0.00 0.00 0.00 0.00 37.83 35.55 2sob s LYS 53 CO 0.01 -0.25 0.64 0.66 0.00 0.00 0.00 175.35 176.41 2sob n TYR 54 N -1.89 -3.23 -1.36 1.78 4.02 -1.26 -4.63 117.16 110.59 2sob n TYR 54 Ca 0.05 1.28 -0.50 0.00 -0.01 0.00 0.00 57.90 58.73 2sob n TYR 54 Cb 0.59 -3.90 -0.13 0.00 -0.02 0.00 0.00 39.34 35.87 2sob n TYR 54 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2sob n GLY 55 N -0.81 -0.32 0.00 2.72 0.00 -1.26 -4.90 105.19 100.62 2sob n GLY 55 Ca 0.05 1.13 0.00 0.00 0.00 0.00 0.00 46.02 47.20 2sob n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2sob n PRO 56 N 7.93 0.72 0.01 1.61 -0.04 -1.26 -4.54 135.00 139.42 2sob n PRO 56 Ca 0.60 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.88 2sob n PRO 56 Cb -0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.38 2sob n PRO 56 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2sob h GLU 57 N 0.00 0.72 -0.35 0.54 4.81 -1.97 0.37 114.58 118.69 2sob h GLU 57 Ca 0.00 -0.66 0.00 0.00 -0.13 0.00 0.00 59.36 58.58 2sob h GLU 57 Cb 0.00 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2sob h GLU 57 CO 0.00 1.25 0.23 0.00 -0.73 0.00 0.00 179.01 179.77 2sob h ALA 58 N 0.54 0.45 0.00 2.92 0.00 -1.96 -1.56 119.26 119.65 2sob h ALA 58 Ca -0.08 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 2sob h ALA 58 Cb 1.51 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2sob h ALA 58 CO 0.17 -0.08 -0.74 1.03 0.00 0.00 0.00 179.25 179.63 2sob h SER 59 N 0.48 0.00 0.48 0.00 0.87 -1.89 -3.07 113.55 110.42 2sob h SER 59 Ca 0.13 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 2sob h SER 59 Cb -0.05 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2sob h SER 59 CO -0.03 0.74 -0.17 0.00 -0.53 0.00 0.00 176.83 176.84 2sob h ALA 60 N 1.26 1.24 -0.45 6.23 0.00 -0.37 -2.90 119.26 124.27 2sob h ALA 60 Ca -0.01 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.78 2sob h ALA 60 Cb 1.31 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 2sob h ALA 60 CO 0.10 0.22 0.24 0.74 0.00 0.00 0.00 179.25 180.54 2sob h PHE 61 N 0.00 0.44 -0.08 0.00 0.04 -1.20 0.34 116.94 116.47 2sob h PHE 61 Ca -0.00 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.66 2sob h PHE 61 Cb 0.46 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 2sob h PHE 61 CO 0.00 0.23 -0.50 1.15 -0.60 0.00 0.00 178.31 178.59 2sob h THR 62 N 0.47 1.35 0.00 -1.55 2.02 -1.68 -2.58 112.91 110.94 2sob h THR 62 Ca 0.19 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.65 2sob h THR 62 Cb 0.09 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 2sob h THR 62 CO -0.13 0.51 0.00 1.17 0.37 0.00 0.00 175.52 177.44 2sob n LYS 63 N -3.96 0.06 0.14 6.66 4.81 -0.58 -3.30 118.16 122.01 2sob n LYS 63 Ca -0.02 0.03 0.12 0.00 -0.87 0.00 0.00 58.31 57.57 2sob n LYS 63 Cb 0.54 -1.50 0.51 0.00 0.02 0.00 0.00 35.03 34.60 2sob n LYS 63 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2sob h LYS 64 N 0.00 0.00 0.00 1.64 1.79 0.06 -2.77 116.57 117.29 2sob h LYS 64 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2sob h LYS 64 Cb 0.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2sob h LYS 64 CO 0.00 0.00 0.05 0.00 -1.08 0.00 0.00 179.45 178.42 2sob n MET 65 N -2.31 0.01 0.00 3.15 0.00 -1.21 -1.66 117.12 115.10 2sob n MET 65 Ca 0.02 0.46 0.00 0.00 0.00 0.00 0.00 57.70 58.18 2sob n MET 65 Cb 0.23 -1.58 0.00 0.00 0.00 0.00 0.00 33.22 31.87 2sob n MET 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2sob n LEU 66 N -1.49 0.00 0.15 3.17 4.32 -1.05 -4.13 117.00 117.97 2sob n LEU 66 Ca -0.00 -0.10 0.07 0.00 -0.02 0.00 0.00 56.01 55.96 2sob n LEU 66 Cb 0.05 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 41.92 2sob n LEU 66 CO 0.00 0.00 0.44 -0.33 -1.22 0.00 0.00 177.39 176.28 2sob h GLU 67 N 0.00 0.00 0.00 3.23 3.07 -1.37 -3.43 114.58 116.09 2sob h GLU 67 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2sob h GLU 67 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2sob h GLU 67 CO 0.00 0.22 0.00 0.27 -1.40 0.00 0.00 179.01 178.10 2sob n ASN 68 N -3.06 0.00 -4.72 1.42 0.23 -1.04 -5.09 115.26 103.00 2sob n ASN 68 Ca 0.01 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.64 2sob n ASN 68 Cb 0.64 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.32 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 0.00 3.60 -0.26 -2.53 0.00 -1.21 -4.93 121.76 116.43 2sob s ALA 69 Ca 0.00 1.14 -0.15 0.00 0.00 0.00 0.00 51.96 52.94 2sob s ALA 69 Cb 0.00 -3.54 -0.12 0.00 0.00 0.00 0.00 23.12 19.46 2sob s ALA 69 CO 0.00 -0.62 -0.27 1.17 0.00 0.00 0.00 175.76 176.04 2sob n LYS 70 N 3.75 0.58 -2.68 0.00 4.81 -1.26 -4.55 118.16 118.81 2sob n LYS 70 Ca 0.11 0.31 -0.43 0.00 -0.87 0.00 0.00 58.31 57.43 2sob n LYS 70 Cb 0.42 -1.52 -0.02 0.00 0.02 0.00 0.00 35.03 33.92 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 -2.52 4.40 -0.21 1.64 1.02 -1.26 -4.60 119.74 118.21 2sob s LYS 71 Ca -0.36 1.39 -0.04 0.00 0.02 0.00 0.00 55.97 56.98 2sob s LYS 71 Cb 0.12 -3.56 0.07 0.00 -0.52 0.00 0.00 37.83 33.95 2sob s LYS 71 CO 0.49 -0.36 0.08 0.42 -0.92 0.00 0.00 175.35 175.06 2sob s ILE 72 N 2.19 0.15 -1.39 2.17 1.01 -1.25 -3.09 121.20 120.99 2sob s ILE 72 Ca 0.48 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.53 2sob s ILE 72 Cb -0.18 -0.84 0.08 0.00 0.01 0.00 0.00 42.46 41.53 2sob s ILE 72 CO 0.16 -0.37 2.05 -0.62 0.00 0.00 0.00 174.94 176.16 2sob n GLU 73 N 5.18 3.09 -1.71 2.79 4.71 0.37 -0.24 120.64 134.82 2sob n GLU 73 Ca -0.07 -2.95 -0.43 0.00 -0.01 0.00 0.00 57.16 53.70 2sob n GLU 73 Cb 0.47 -3.23 -0.03 0.00 -1.01 0.00 0.00 31.44 27.64 2sob n GLU 73 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2sob s VAL 74 N 2.68 3.13 -0.50 2.62 1.01 0.46 -3.58 120.40 126.21 2sob s VAL 74 Ca 0.46 0.13 -0.20 0.00 0.00 0.00 0.00 61.98 62.38 2sob s VAL 74 Cb 0.11 -3.15 0.05 0.00 0.00 0.00 0.00 36.38 33.39 2sob s VAL 74 CO -0.04 -0.08 0.64 -0.70 0.00 0.00 0.00 175.10 174.92 2sob s GLU 75 N 5.82 3.16 -0.37 2.72 2.12 -0.72 -2.87 118.70 128.55 2sob s GLU 75 Ca 0.94 -0.77 0.13 0.00 0.36 0.00 0.00 54.97 55.63 2sob s GLU 75 Cb -0.33 -4.07 0.39 0.00 0.26 0.00 0.00 34.13 30.39 2sob s GLU 75 CO 0.36 -1.20 0.95 1.97 -0.54 0.00 0.00 175.26 176.79 2sob n PHE 76 N 6.26 -0.22 -0.93 5.30 -1.74 -1.25 -2.11 117.46 122.76 2sob n PHE 76 Ca -0.05 -2.96 0.00 0.00 -0.56 0.00 0.00 57.45 53.88 2sob n PHE 76 Cb 0.46 0.14 0.00 0.00 1.52 0.00 0.00 39.48 41.60 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 0.05 -5.19 -0.27 5.98 2.03 0.18 -4.57 116.55 114.76 2sob n ASP 77 Ca 0.13 0.97 0.05 0.00 0.52 0.00 0.00 54.79 56.46 2sob n ASP 77 Cb 0.75 -2.54 0.19 0.00 -0.72 0.00 0.00 41.12 38.80 2sob n ASP 77 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2sob h LYS 78 N 0.43 0.52 0.00 -0.67 1.79 -1.50 -3.43 116.57 113.71 2sob h LYS 78 Ca 0.00 -0.03 -0.23 0.00 -2.18 0.00 0.00 60.65 58.21 2sob h LYS 78 Cb 0.36 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 2sob h LYS 78 CO 0.00 0.35 -0.12 0.41 -1.08 0.00 0.00 179.45 179.01 2sob n GLY 79 N -1.32 3.04 3.74 3.86 0.00 -1.26 -5.09 105.19 108.16 2sob n GLY 79 Ca 0.15 -2.23 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 2sob n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2sob s GLN 80 N -2.87 4.57 -1.15 1.61 2.00 -1.26 -4.97 119.66 117.59 2sob s GLN 80 Ca 0.11 1.21 -0.04 0.00 -2.00 0.00 0.00 55.36 54.64 2sob s GLN 80 Cb -0.01 -3.36 0.24 0.00 0.80 0.00 0.00 33.01 30.68 2sob s GLN 80 CO 0.07 0.28 1.98 0.54 -0.50 0.00 0.00 175.29 177.65 2sob n ARG 81 N 2.71 4.90 -1.84 1.67 1.74 -1.26 -4.99 116.66 119.59 2sob n ARG 81 Ca -0.01 -4.16 -0.31 0.00 -0.77 0.00 0.00 57.85 52.60 2sob n ARG 81 Cb 0.50 -2.57 0.01 0.00 -1.02 0.00 0.00 32.46 29.39 2sob n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2sob s THR 82 N -2.70 4.63 0.00 0.55 -4.23 -1.25 -4.76 115.64 107.88 2sob s THR 82 Ca 0.43 0.86 0.00 0.00 -1.18 0.00 0.00 61.69 61.80 2sob s THR 82 Cb 0.16 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 70.19 2sob s THR 82 CO -0.08 -1.11 0.00 -0.67 -0.54 0.00 0.00 174.62 172.22 2sob n ASP 83 N -2.78 0.00 0.00 3.99 2.03 -1.25 -4.87 116.55 113.67 2sob n ASP 83 Ca 0.06 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.52 2sob n ASP 83 Cb 0.54 0.17 0.86 0.00 -0.72 0.00 0.00 41.12 41.97 2sob n ASP 83 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2sob n LYS 84 N -1.54 0.86 0.00 -0.67 2.85 -1.26 -4.64 118.16 113.76 2sob n LYS 84 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2sob n LYS 84 Cb 0.00 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 2sob n LYS 84 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 2sob n TYR 85 N -1.04 0.00 0.00 5.58 9.36 -1.26 -5.03 117.16 124.77 2sob n TYR 85 Ca 0.21 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.43 2sob n TYR 85 Cb 0.12 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.83 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 -0.58 0.95 2.98 0.00 -1.26 -5.04 105.19 102.24 2sob n GLY 86 Ca 0.00 0.26 0.11 0.00 0.00 0.00 0.00 46.02 46.39 2sob n GLY 86 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2sob n ARG 87 N 0.00 -1.74 -2.98 1.61 3.00 -1.26 -3.75 116.66 111.53 2sob n ARG 87 Ca 0.00 1.24 -0.16 0.00 -0.00 0.00 0.00 57.85 58.93 2sob n ARG 87 Cb 0.00 -2.22 -0.01 0.00 0.00 0.00 0.00 32.46 30.23 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 -3.03 -0.32 -1.54 5.15 0.31 -0.09 -4.65 118.33 114.16 2sob n VAL 88 Ca -0.01 -2.86 -0.14 0.00 -0.01 0.00 0.00 64.34 61.32 2sob n VAL 88 Cb 0.60 -0.16 -0.09 0.00 -0.91 0.00 0.00 33.84 33.28 2sob n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2sob n LEU 89 N 1.32 1.28 0.00 7.52 -0.00 -1.26 -2.98 117.00 122.87 2sob n LEU 89 Ca 0.15 -1.62 -0.03 0.00 -0.00 0.00 0.00 56.01 54.52 2sob n LEU 89 Cb 0.60 -1.54 0.00 0.00 -0.00 0.00 0.00 43.42 42.48 2sob n LEU 89 CO 0.12 -2.73 0.12 0.00 -0.00 0.00 0.00 177.39 174.90 2sob n ALA 90 N 17.39 -0.38 -2.60 1.47 0.00 -1.26 -4.89 120.51 130.24 2sob n ALA 90 Ca 0.46 -0.38 -0.30 0.00 0.00 0.00 0.00 53.44 53.22 2sob n ALA 90 Cb 0.41 0.31 -0.10 0.00 0.00 0.00 0.00 19.45 20.08 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 -6.33 2.79 -0.34 0.00 1.51 -0.90 -4.66 117.35 109.42 2sob s TYR 91 Ca 0.06 -0.13 -0.03 0.00 -1.01 0.00 0.00 57.07 55.96 2sob s TYR 91 Cb -0.01 -1.46 0.07 0.00 -0.11 0.00 0.00 41.96 40.45 2sob s TYR 91 CO 0.04 0.43 0.09 0.42 -1.11 0.00 0.00 175.55 175.42 2sob s ILE 92 N -1.22 3.26 -1.11 2.71 -1.09 -1.26 -1.76 121.20 120.72 2sob s ILE 92 Ca 0.22 -1.55 -0.12 0.00 -2.23 0.00 0.00 60.65 56.97 2sob s ILE 92 Cb -0.11 -2.99 0.23 0.00 -1.58 0.00 0.00 42.46 38.01 2sob s ILE 92 CO 0.14 -0.31 1.19 -0.31 -1.23 0.00 0.00 174.94 174.42 2sob s TYR 93 N 1.25 3.90 -0.21 3.97 2.02 -1.24 -4.16 117.35 122.88 2sob s TYR 93 Ca -0.00 -2.37 -0.03 0.00 -0.37 0.00 0.00 57.07 54.30 2sob s TYR 93 Cb -0.21 -4.03 -0.00 0.00 -0.40 0.00 0.00 41.96 37.32 2sob s TYR 93 CO -0.01 -1.14 -0.08 0.00 -1.57 0.00 0.00 175.55 172.75 2sob s ALA 94 N 0.06 2.71 0.00 3.71 0.00 -1.26 -0.48 121.76 126.50 2sob s ALA 94 Ca 0.34 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2sob s ALA 94 Cb -0.07 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.46 2sob s ALA 94 CO -0.05 -0.39 0.00 -3.47 0.00 0.00 0.00 175.76 171.84 2sob n ASP 95 N 4.72 0.00 0.27 0.00 2.03 -1.18 -4.05 116.55 118.34 2sob n ASP 95 Ca -0.19 0.00 0.17 0.00 0.52 0.00 0.00 54.79 55.29 2sob n ASP 95 Cb 0.51 0.00 0.66 0.00 -0.72 0.00 0.00 41.12 41.57 2sob n ASP 95 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2sob h GLY 96 N 0.00 0.00 0.00 0.27 0.00 -1.93 -3.46 103.07 97.95 2sob h GLY 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2sob h GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 2sob n LYS 97 N -3.03 0.00 -0.72 4.80 3.00 -1.26 -4.53 118.16 116.42 2sob n LYS 97 Ca 0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.28 2sob n LYS 97 Cb 0.31 -2.42 -0.04 0.00 0.00 0.00 0.00 35.03 32.88 2sob n LYS 97 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 2sob n MET 98 N -2.00 0.00 -1.28 1.64 1.56 -1.26 -4.68 117.12 111.10 2sob n MET 98 Ca 0.00 -0.52 -0.11 0.00 -0.27 0.00 0.00 57.70 56.80 2sob n MET 98 Cb 0.00 0.37 -0.05 0.00 2.15 0.00 0.00 33.22 35.69 2sob n MET 98 CO 0.00 0.00 0.00 1.55 -0.73 0.00 0.00 175.97 176.79 2sob n VAL 99 N 0.00 0.00 0.21 1.12 3.14 -1.26 -4.78 118.33 116.76 2sob n VAL 99 Ca -0.14 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.36 2sob n VAL 99 Cb 0.51 -1.20 0.15 0.00 -1.06 0.00 0.00 33.84 32.24 2sob n VAL 99 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 2sob h ASN 100 N 0.00 0.00 -0.90 6.55 2.35 -1.94 -3.31 115.58 118.34 2sob h ASN 100 Ca -0.23 -0.00 0.17 0.00 -0.55 0.00 0.00 56.30 55.68 2sob h ASN 100 Cb 0.85 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.12 2sob h ASN 100 CO 0.34 0.00 0.48 -0.33 -1.65 0.00 0.00 177.43 176.27 2sob h GLU 101 N 0.00 0.62 -6.39 0.81 4.39 -1.86 -3.39 114.58 108.76 2sob h GLU 101 Ca 0.00 -0.04 -0.54 0.00 0.34 0.00 0.00 59.36 59.12 2sob h GLU 101 Cb 1.00 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.51 2sob h GLU 101 CO 0.00 0.41 0.75 0.00 -1.16 0.00 0.00 179.01 179.01 2sob s ALA 102 N -5.93 3.54 -2.29 3.43 0.00 -1.25 -5.03 121.76 114.24 2sob s ALA 102 Ca -0.12 0.83 0.30 0.00 0.00 0.00 0.00 51.96 52.97 2sob s ALA 102 Cb 0.23 -3.55 1.42 0.00 0.00 0.00 0.00 23.12 21.22 2sob s ALA 102 CO 0.79 -0.78 1.95 1.28 0.00 0.00 0.00 175.76 178.99