#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dox n SER 2 N 0.00 4.55 -3.25 0.00 3.41 -1.13 -4.92 113.62 112.27 1dox n SER 2 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 1dox n SER 2 Cb 0.00 1.03 0.02 0.00 -0.26 0.00 0.00 64.21 65.00 1dox n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dox n TYR 3 N -1.62 -1.06 0.00 7.33 4.11 -1.26 -4.59 117.16 120.07 1dox n TYR 3 Ca -0.01 0.45 0.00 0.00 -0.00 0.00 0.00 57.90 58.34 1dox n TYR 3 Cb 0.11 -1.26 0.00 0.00 -0.00 0.00 0.00 39.34 38.18 1dox n TYR 3 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 1dox n THR 4 N 0.68 0.00 -0.71 -3.48 -1.04 -0.98 -3.97 114.28 104.78 1dox n THR 4 Ca -0.04 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.78 1dox n THR 4 Cb 0.56 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 69.15 1dox n THR 4 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1dox n VAL 5 N -1.03 0.00 -1.93 12.58 0.31 0.38 -2.59 118.33 126.04 1dox n VAL 5 Ca 0.00 -0.05 -0.43 0.00 -0.01 0.00 0.00 64.34 63.85 1dox n VAL 5 Cb 0.00 -0.25 -0.03 0.00 -0.91 0.00 0.00 33.84 32.65 1dox n VAL 5 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1dox s LYS 6 N -2.72 3.81 -0.04 5.55 3.01 -1.26 -1.25 119.74 126.83 1dox s LYS 6 Ca 0.28 1.97 -0.03 0.00 -1.01 0.00 0.00 55.97 57.18 1dox s LYS 6 Cb -0.01 -4.11 0.02 0.00 -1.01 0.00 0.00 37.83 32.72 1dox s LYS 6 CO 0.35 -1.30 0.10 -1.17 0.51 0.00 0.00 175.35 173.84 1dox s LEU 7 N 5.41 1.40 -0.24 3.17 1.98 0.17 -3.21 118.68 127.36 1dox s LEU 7 Ca 0.80 0.20 -0.19 0.00 -2.89 0.00 0.00 54.13 52.05 1dox s LEU 7 Cb -0.31 0.30 0.07 0.00 0.66 0.00 0.00 46.19 46.91 1dox s LEU 7 CO 0.32 -0.06 0.62 -0.63 -1.89 0.00 0.00 176.35 174.71 1dox s ILE 8 N 0.36 -0.00 0.00 6.68 1.09 -1.20 0.21 121.20 128.34 1dox s ILE 8 Ca -0.03 0.01 0.00 0.00 -1.10 0.00 0.00 60.65 59.53 1dox s ILE 8 Cb -0.04 -0.87 0.00 0.00 -1.06 0.00 0.00 42.46 40.49 1dox s ILE 8 CO -0.01 0.00 0.00 0.35 -0.10 0.00 0.00 174.94 175.18 1dox n THR 9 N 3.34 0.00 -0.13 2.92 -2.24 -0.96 0.18 114.28 117.38 1dox n THR 9 Ca -0.17 0.00 0.27 0.00 -2.27 0.00 0.00 64.05 61.88 1dox n THR 9 Cb 0.56 0.00 0.57 0.00 -2.10 0.00 0.00 70.33 69.36 1dox n THR 9 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1dox h PRO 10 N 0.00 0.00 -2.91 -0.78 0.11 -1.89 0.76 132.00 127.28 1dox h PRO 10 Ca 0.00 0.00 -0.77 0.00 0.11 0.00 0.00 66.00 65.34 1dox h PRO 10 Cb 0.00 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 30.92 1dox h PRO 10 CO 0.00 0.00 1.74 -3.47 -0.21 0.00 0.00 178.00 176.06 1dox n ASP 11 N -3.44 6.62 0.00 -2.05 -0.08 -1.26 -4.98 116.55 111.36 1dox n ASP 11 Ca 0.19 -3.27 0.00 0.00 -1.51 0.00 0.00 54.79 50.20 1dox n ASP 11 Cb 1.24 -1.35 0.00 0.00 2.34 0.00 0.00 41.12 43.35 1dox n ASP 11 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1dox n GLY 12 N 1.72 0.00 3.65 0.27 0.00 0.26 -4.23 105.19 106.87 1dox n GLY 12 Ca 0.45 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.99 1dox n GLY 12 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1dox n GLU 13 N 0.00 1.85 -3.75 1.61 4.07 -1.26 -2.26 120.64 120.89 1dox n GLU 13 Ca 0.00 0.67 -0.13 0.00 -0.06 0.00 0.00 57.16 57.63 1dox n GLU 13 Cb 0.00 -2.41 -0.14 0.00 -0.06 0.00 0.00 31.44 28.83 1dox n GLU 13 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1dox s SER 14 N 1.25 -0.13 -0.19 4.31 0.15 0.58 -4.90 113.70 114.76 1dox s SER 14 Ca 0.83 0.33 -0.03 0.00 0.70 0.00 0.00 55.95 57.77 1dox s SER 14 Cb -0.77 0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 63.75 1dox s SER 14 CO 0.43 -0.14 -0.05 -0.44 1.20 0.00 0.00 173.24 174.24 1dox s SER 15 N 1.07 4.47 -0.13 5.45 0.01 -1.26 0.42 113.70 123.73 1dox s SER 15 Ca -0.08 -0.28 -0.10 0.00 1.31 0.00 0.00 55.95 56.80 1dox s SER 15 Cb -0.10 -1.74 0.04 0.00 0.21 0.00 0.00 66.02 64.42 1dox s SER 15 CO -0.06 0.07 0.33 0.27 0.41 0.00 0.00 173.24 174.27 1dox s ILE 16 N 0.93 -0.02 -0.33 1.44 -0.00 -0.38 -2.33 121.20 120.51 1dox s ILE 16 Ca -0.00 0.06 0.13 0.00 -0.00 0.00 0.00 60.65 60.83 1dox s ILE 16 Cb -0.15 -0.48 0.40 0.00 -0.00 0.00 0.00 42.46 42.23 1dox s ILE 16 CO 0.01 0.02 1.53 -1.84 -0.00 0.00 0.00 174.94 174.66 1dox n GLU 17 N 3.55 1.35 -0.02 0.37 -0.00 -1.26 0.14 120.64 124.78 1dox n GLU 17 Ca -0.18 -1.26 0.01 0.00 -0.00 0.00 0.00 57.16 55.73 1dox n GLU 17 Cb 0.56 0.39 0.02 0.00 -0.00 0.00 0.00 31.44 32.41 1dox n GLU 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1dox n SER 19 N -3.65 -2.38 -2.69 0.00 2.88 0.28 -2.56 113.62 105.49 1dox n SER 19 Ca 0.02 0.32 -0.06 0.00 -1.33 0.00 0.00 58.87 57.82 1dox n SER 19 Cb 0.05 -2.14 0.09 0.00 -0.75 0.00 0.00 64.21 61.46 1dox n SER 19 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1dox n ASP 20 N -1.42 -1.75 -1.23 -3.46 2.03 -1.24 -4.61 116.55 104.86 1dox n ASP 20 Ca -0.07 -2.61 0.00 0.00 0.52 0.00 0.00 54.79 52.62 1dox n ASP 20 Cb 0.52 1.39 0.00 0.00 -0.72 0.00 0.00 41.12 42.30 1dox n ASP 20 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1dox n ASP 21 N 0.07 -4.48 -4.37 1.67 8.00 0.12 -4.62 116.55 112.94 1dox n ASP 21 Ca -0.04 0.55 -0.52 0.00 0.71 0.00 0.00 54.79 55.49 1dox n ASP 21 Cb 0.74 -2.42 -0.12 0.00 -0.02 0.00 0.00 41.12 39.30 1dox n ASP 21 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1dox n THR 22 N 0.64 0.03 -1.39 -3.53 -2.24 0.22 -4.73 114.28 103.28 1dox n THR 22 Ca 0.00 -0.08 -0.45 0.00 -2.27 0.00 0.00 64.05 61.26 1dox n THR 22 Cb 0.00 -0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 67.43 1dox n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dox n TYR 23 N 9.16 -0.86 0.00 4.78 0.18 -1.26 -4.44 117.16 124.72 1dox n TYR 23 Ca 0.55 0.77 0.00 0.00 1.88 0.00 0.00 57.90 61.11 1dox n TYR 23 Cb 0.05 -1.93 0.00 0.00 -0.38 0.00 0.00 39.34 37.08 1dox n TYR 23 CO 0.00 0.00 0.00 -0.89 -2.08 0.00 0.00 176.86 173.89 1dox n ILE 24 N -0.45 0.00 -0.20 -3.48 -0.00 -1.26 -2.52 119.36 111.45 1dox n ILE 24 Ca 0.14 0.41 -0.07 0.00 -0.00 0.00 0.00 62.75 63.22 1dox n ILE 24 Cb 0.33 -1.25 0.07 0.00 -0.00 0.00 0.00 39.64 38.78 1dox n ILE 24 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.55 176.80 1dox h LEU 25 N 0.00 0.99 0.06 1.39 6.46 -1.90 -2.47 115.31 119.84 1dox h LEU 25 Ca 0.00 -0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 1dox h LEU 25 Cb 0.00 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.65 1dox h LEU 25 CO 0.00 1.02 -0.18 -0.78 -0.62 0.00 0.00 178.44 177.88 1dox h ASP 26 N 0.95 -0.54 0.00 1.25 3.58 -1.95 0.70 116.42 120.41 1dox h ASP 26 Ca 0.18 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1dox h ASP 26 Cb 0.49 0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.74 1dox h ASP 26 CO 0.02 -0.20 0.20 0.00 -2.88 0.00 0.00 179.24 176.38 1dox h ALA 27 N -1.25 1.19 -0.56 -0.78 0.00 -1.56 0.47 119.26 116.78 1dox h ALA 27 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1dox h ALA 27 Cb 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1dox h ALA 27 CO -0.09 -0.19 0.15 0.00 0.00 0.00 0.00 179.25 179.11 1dox h ALA 28 N 1.60 0.74 -1.23 0.00 0.00 0.80 0.16 119.26 121.33 1dox h ALA 28 Ca 0.00 -0.21 0.36 0.00 0.00 0.00 0.00 54.91 55.05 1dox h ALA 28 Cb 0.40 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1dox h ALA 28 CO 0.00 0.43 0.90 0.93 0.00 0.00 0.00 179.25 181.51 1dox h GLU 29 N 0.79 0.00 -0.02 0.00 4.39 0.20 2.40 114.58 122.34 1dox h GLU 29 Ca 0.18 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 1dox h GLU 29 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1dox h GLU 29 CO 0.00 0.00 -0.06 0.93 -1.16 0.00 0.00 179.01 178.72 1dox h GLU 30 N 0.00 0.07 -0.30 2.33 5.08 -0.73 -0.96 114.58 120.07 1dox h GLU 30 Ca 0.58 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.98 1dox h GLU 30 Cb 2.38 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.63 1dox h GLU 30 CO -0.01 0.66 0.60 0.00 -1.00 0.00 0.00 179.01 179.26 1dox h ALA 31 N 0.42 1.95 0.00 3.43 0.00 0.50 -3.37 119.26 122.19 1dox h ALA 31 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1dox h ALA 31 Cb 0.66 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1dox h ALA 31 CO 0.01 -0.76 0.00 0.41 0.00 0.00 0.00 179.25 178.92 1dox n GLY 32 N -1.43 0.71 2.36 0.00 0.00 0.41 -0.30 105.19 106.94 1dox n GLY 32 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1dox n GLY 32 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1dox n LEU 33 N 0.00 -0.19 -0.03 0.99 -0.00 -0.42 -4.64 117.00 112.72 1dox n LEU 33 Ca 0.00 -0.07 0.13 0.00 -0.00 0.00 0.00 56.01 56.07 1dox n LEU 33 Cb 0.00 -0.78 0.44 0.00 -0.00 0.00 0.00 43.42 43.08 1dox n LEU 33 CO 0.00 0.02 0.70 -0.67 -0.00 0.00 0.00 177.39 177.44 1dox n ASP 34 N -1.08 0.37 -3.50 1.45 -0.08 -1.26 -4.93 116.55 107.52 1dox n ASP 34 Ca 0.03 -0.11 -0.15 0.00 -1.51 0.00 0.00 54.79 53.05 1dox n ASP 34 Cb 0.31 -0.05 0.00 0.00 2.34 0.00 0.00 41.12 43.72 1dox n ASP 34 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1dox n LEU 35 N -1.35 -3.82 -4.57 -2.67 4.32 -1.26 -4.63 117.00 103.02 1dox n LEU 35 Ca 0.08 -0.60 -0.14 0.00 -0.02 0.00 0.00 56.01 55.34 1dox n LEU 35 Cb 0.33 -2.28 -0.10 0.00 -1.62 0.00 0.00 43.42 39.74 1dox n LEU 35 CO 0.30 -0.22 1.12 -2.65 -1.22 0.00 0.00 177.39 174.72 1dox n PRO 36 N -2.23 0.26 -0.73 3.23 -0.02 -1.26 -4.66 135.00 129.59 1dox n PRO 36 Ca -0.19 -1.36 0.07 0.00 -2.02 0.00 0.00 63.50 59.99 1dox n PRO 36 Cb 0.62 -3.82 0.36 0.00 -0.02 0.00 0.00 33.50 30.64 1dox n PRO 36 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1dox n TYR 37 N 19.38 1.72 0.00 6.00 9.36 -1.26 -4.13 117.16 148.23 1dox n TYR 37 Ca 0.43 -0.62 0.00 0.00 3.32 0.00 0.00 57.90 61.03 1dox n TYR 37 Cb 0.45 -0.39 0.00 0.00 -0.63 0.00 0.00 39.34 38.77 1dox n TYR 37 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1dox n SER 38 N 0.72 0.00 -0.09 2.98 7.64 -1.26 -4.84 113.62 118.77 1dox n SER 38 Ca 0.25 0.40 -0.17 0.00 1.01 0.00 0.00 58.87 60.37 1dox n SER 38 Cb 1.02 -0.47 -0.07 0.00 -1.01 0.00 0.00 64.21 63.67 1dox n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dox n ARG 40 N -3.49 0.00 -0.01 0.00 0.63 -1.26 -4.73 116.66 107.81 1dox n ARG 40 Ca -0.34 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.58 1dox n ARG 40 Cb 0.79 -0.73 -0.00 0.00 0.45 0.00 0.00 32.46 32.96 1dox n ARG 40 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1dox n ALA 41 N -0.15 1.25 -2.66 5.13 0.00 -1.26 -4.88 120.51 117.94 1dox n ALA 41 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 53.44 53.16 1dox n ALA 41 Cb 0.00 0.03 0.04 0.00 0.00 0.00 0.00 19.45 19.51 1dox n ALA 41 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1dox s GLY 42 N -3.41 -1.99 0.00 0.00 0.00 -1.26 -4.59 107.32 96.06 1dox s GLY 42 Ca -0.05 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.43 1dox s GLY 42 CO 0.07 4.40 0.00 0.00 0.00 0.00 0.00 173.10 177.57 1dox n ALA 43 N 2.60 0.12 -3.23 3.20 0.00 -1.26 -5.11 120.51 116.84 1dox n ALA 43 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1dox n ALA 43 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1dox n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dox n SER 45 N -1.23 2.22 -0.30 0.00 7.64 -1.26 -4.79 113.62 115.91 1dox n SER 45 Ca 0.00 -2.53 0.14 0.00 1.01 0.00 0.00 58.87 57.49 1dox n SER 45 Cb 0.00 -0.42 0.55 0.00 -1.01 0.00 0.00 64.21 63.32 1dox n SER 45 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1dox n THR 46 N -0.48 0.00 -2.86 0.44 -2.24 -1.26 -4.31 114.28 103.57 1dox n THR 46 Ca 0.16 -0.15 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 1dox n THR 46 Cb 0.89 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 1dox n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dox n ALA 48 N 0.54 0.00 -0.01 0.00 0.00 0.59 -4.44 120.51 117.18 1dox n ALA 48 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1dox n ALA 48 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1dox n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dox n GLY 49 N 4.02 1.16 3.57 0.00 0.00 -0.21 -4.08 105.19 109.64 1dox n GLY 49 Ca 0.00 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 1dox n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dox s LYS 50 N -4.40 2.84 -0.44 1.61 1.02 -1.21 -4.03 119.74 115.13 1dox s LYS 50 Ca 0.00 -0.90 -0.01 0.00 0.02 0.00 0.00 55.97 55.08 1dox s LYS 50 Cb 0.00 -5.22 -0.01 0.00 -0.52 0.00 0.00 37.83 32.08 1dox s LYS 50 CO 0.00 -3.30 0.41 -0.89 -0.92 0.00 0.00 175.35 170.65 1dox n ILE 51 N 7.55 -5.83 1.78 2.17 -0.00 -1.26 -1.75 119.36 122.01 1dox n ILE 51 Ca 0.42 -0.28 0.12 0.00 -0.00 0.00 0.00 62.75 63.01 1dox n ILE 51 Cb 0.47 -5.25 0.64 0.00 -0.00 0.00 0.00 39.64 35.50 1dox n ILE 51 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1dox n THR 52 N -1.66 0.04 0.00 1.39 5.66 -1.20 -4.06 114.28 114.45 1dox n THR 52 Ca -0.01 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 1dox n THR 52 Cb 0.52 -0.11 0.00 0.00 -1.55 0.00 0.00 70.33 69.19 1dox n THR 52 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1dox n ALA 53 N -0.50 0.00 0.00 1.79 0.00 -1.26 -3.87 120.51 116.68 1dox n ALA 53 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1dox n ALA 53 Cb 0.17 0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1dox n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dox n GLY 54 N -0.96 0.83 3.86 0.00 0.00 -1.26 -4.26 105.19 103.40 1dox n GLY 54 Ca 0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 46.02 45.24 1dox n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dox s SER 55 N -4.00 -0.03 -0.20 1.61 0.01 -0.66 -4.72 113.70 105.72 1dox s SER 55 Ca 0.00 -0.62 -0.18 0.00 1.31 0.00 0.00 55.95 56.47 1dox s SER 55 Cb 0.00 0.49 0.03 0.00 0.21 0.00 0.00 66.02 66.75 1dox s SER 55 CO 0.00 -0.96 0.29 0.52 0.41 0.00 0.00 173.24 173.50 1dox n VAL 56 N -0.66 -2.69 -3.16 3.43 0.31 -1.26 -3.71 118.33 110.58 1dox n VAL 56 Ca -0.04 0.28 0.05 0.00 -0.01 0.00 0.00 64.34 64.63 1dox n VAL 56 Cb 0.60 -3.06 -0.03 0.00 -0.91 0.00 0.00 33.84 30.44 1dox n VAL 56 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1dox s ASP 57 N -1.14 -0.07 0.00 4.52 -4.77 -1.26 -2.44 116.67 111.51 1dox s ASP 57 Ca 0.17 0.07 0.00 0.00 -3.30 0.00 0.00 52.55 49.49 1dox s ASP 57 Cb -0.02 1.07 0.00 0.00 -1.09 0.00 0.00 42.92 42.88 1dox s ASP 57 CO 0.39 -0.01 0.00 0.00 0.70 0.00 0.00 175.17 176.24 1dox n GLN 58 N 4.99 0.00 -1.10 2.11 10.64 -1.26 -3.59 117.38 129.18 1dox n GLN 58 Ca -0.08 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.11 1dox n GLN 58 Cb 0.55 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.94 1dox n GLN 58 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1dox n SER 59 N 0.00 0.54 -4.16 2.61 3.41 -1.26 -4.98 113.62 109.78 1dox n SER 59 Ca 0.00 -1.98 -0.29 0.00 -0.26 0.00 0.00 58.87 56.34 1dox n SER 59 Cb 0.00 -0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 63.65 1dox n SER 59 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1dox n ASP 60 N 0.29 0.17 0.00 4.04 9.92 -1.26 -4.87 116.55 124.84 1dox n ASP 60 Ca 0.02 -1.15 0.00 0.00 -0.53 0.00 0.00 54.79 53.13 1dox n ASP 60 Cb 0.96 -2.28 0.00 0.00 -0.64 0.00 0.00 41.12 39.16 1dox n ASP 60 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1dox n GLN 61 N -4.48 0.00 -0.92 -1.24 3.00 -1.21 -4.95 117.38 107.58 1dox n GLN 61 Ca -0.29 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.33 1dox n GLN 61 Cb 0.68 0.00 0.07 0.00 0.00 0.00 0.00 30.24 30.99 1dox n GLN 61 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1dox n SER 62 N 0.00 -3.08 -3.49 1.08 2.88 0.71 -4.65 113.62 107.07 1dox n SER 62 Ca 0.00 -0.01 -0.27 0.00 -1.33 0.00 0.00 58.87 57.26 1dox n SER 62 Cb 0.00 -0.65 -0.09 0.00 -0.75 0.00 0.00 64.21 62.72 1dox n SER 62 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1dox n PHE 63 N -3.65 2.26 0.00 0.66 3.72 -1.25 -2.42 117.46 116.78 1dox n PHE 63 Ca -0.01 -3.99 0.00 0.00 -0.05 0.00 0.00 57.45 53.40 1dox n PHE 63 Cb 0.71 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 1dox n PHE 63 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1dox n LEU 64 N 1.46 0.00 -1.14 4.37 -0.00 -0.83 -4.61 117.00 116.23 1dox n LEU 64 Ca 0.26 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 56.29 1dox n LEU 64 Cb 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.83 1dox n LEU 64 CO 0.29 0.00 -0.38 0.47 -0.00 0.00 0.00 177.39 177.77 1dox n ASP 65 N 0.00 -6.18 -0.43 1.96 8.00 1.09 -4.26 116.55 116.73 1dox n ASP 65 Ca 0.00 1.34 0.00 0.00 0.71 0.00 0.00 54.79 56.84 1dox n ASP 65 Cb 0.00 -3.52 0.00 0.00 -0.02 0.00 0.00 41.12 37.58 1dox n ASP 65 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1dox n ASP 66 N -2.57 -0.58 0.29 -2.24 2.03 -1.23 -2.77 116.55 109.49 1dox n ASP 66 Ca -0.01 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.48 1dox n ASP 66 Cb 0.38 -0.29 0.98 0.00 -0.72 0.00 0.00 41.12 41.48 1dox n ASP 66 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1dox h ASP 67 N 0.00 0.00 0.00 1.67 3.58 -0.77 -3.33 116.42 117.56 1dox h ASP 67 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1dox h ASP 67 Cb 0.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.28 1dox h ASP 67 CO 0.00 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.36 1dox n GLN 68 N -2.81 0.00 0.00 0.28 0.00 -1.26 -4.62 117.38 108.97 1dox n GLN 68 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.98 1dox n GLN 68 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.36 1dox n GLN 68 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.06 178.57 1dox n ILE 69 N 0.00 0.00 -3.30 -0.39 3.06 -1.24 -4.35 119.36 113.14 1dox n ILE 69 Ca 0.00 0.00 -0.17 0.00 -2.50 0.00 0.00 62.75 60.08 1dox n ILE 69 Cb 0.00 0.00 0.07 0.00 0.54 0.00 0.00 39.64 40.25 1dox n ILE 69 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 1dox n GLU 70 N 0.00 -6.05 -2.72 9.51 2.13 -1.26 -4.96 120.64 117.30 1dox n GLU 70 Ca 0.00 0.68 -0.04 0.00 0.66 0.00 0.00 57.16 58.46 1dox n GLU 70 Cb 0.00 -5.25 0.03 0.00 0.27 0.00 0.00 31.44 26.49 1dox n GLU 70 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1dox n ALA 71 N -4.13 -2.62 -0.49 4.31 0.00 -1.26 -4.89 120.51 111.43 1dox n ALA 71 Ca -0.09 -0.63 0.41 0.00 0.00 0.00 0.00 53.44 53.13 1dox n ALA 71 Cb 0.59 -2.22 0.74 0.00 0.00 0.00 0.00 19.45 18.56 1dox n ALA 71 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1dox h GLY 72 N 4.52 0.32 0.00 0.00 0.00 -1.86 -0.53 103.07 105.53 1dox h GLY 72 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1dox h GLY 72 CO -0.02 -0.08 0.00 2.98 0.00 0.00 0.00 176.54 179.42 1dox n TYR 73 N -4.22 0.00 0.00 5.60 4.19 -1.26 -3.13 117.16 118.34 1dox n TYR 73 Ca 0.35 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.56 1dox n TYR 73 Cb 1.54 0.00 0.00 0.00 0.49 0.00 0.00 39.34 41.37 1dox n TYR 73 CO 0.00 0.00 0.00 1.55 0.91 0.00 0.00 176.86 179.32 1dox n VAL 74 N 0.00 0.00 -1.72 2.97 3.14 -1.26 -4.71 118.33 116.75 1dox n VAL 74 Ca 0.00 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.98 1dox n VAL 74 Cb 0.00 -0.22 -0.01 0.00 -1.06 0.00 0.00 33.84 32.54 1dox n VAL 74 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1dox n LEU 75 N -1.91 8.17 0.06 6.55 7.94 -1.18 -4.64 117.00 131.99 1dox n LEU 75 Ca 0.00 -4.61 0.01 0.00 -1.11 0.00 0.00 56.01 50.30 1dox n LEU 75 Cb 0.04 -1.47 0.35 0.00 0.53 0.00 0.00 43.42 42.87 1dox n LEU 75 CO 0.00 1.95 0.91 0.71 -1.11 0.00 0.00 177.39 179.86 1dox h THR 76 N 2.95 1.19 0.00 1.96 1.35 -1.76 -2.70 112.91 115.89 1dox h THR 76 Ca 0.74 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1dox h THR 76 Cb 0.34 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1dox h THR 76 CO 1.65 0.25 0.00 0.00 -0.25 0.00 0.00 175.52 177.17 1dox n VAL 78 N 0.10 2.20 -4.63 0.00 0.31 -1.07 -3.79 118.33 111.45 1dox n VAL 78 Ca 0.00 -5.22 -0.31 0.00 -0.01 0.00 0.00 64.34 58.80 1dox n VAL 78 Cb 0.06 -1.69 -0.06 0.00 -0.91 0.00 0.00 33.84 31.24 1dox n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dox n ALA 79 N 0.43 0.47 -2.90 3.52 0.00 -1.02 -4.22 120.51 116.80 1dox n ALA 79 Ca 0.29 -2.20 0.00 0.00 0.00 0.00 0.00 53.44 51.53 1dox n ALA 79 Cb 0.43 1.17 0.00 0.00 0.00 0.00 0.00 19.45 21.05 1dox n ALA 79 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1dox n TYR 80 N -1.29 0.00 0.00 0.00 9.36 -1.02 0.25 117.16 124.46 1dox n TYR 80 Ca -0.18 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.04 1dox n TYR 80 Cb 0.62 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.33 1dox n TYR 80 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1dox n PRO 81 N 0.00 0.00 0.00 2.98 -0.02 -1.22 -3.16 135.00 133.58 1dox n PRO 81 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1dox n PRO 81 Cb 0.00 -0.36 0.00 0.00 -0.02 0.00 0.00 33.50 33.12 1dox n PRO 81 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1dox n THR 82 N 0.00 0.00 0.30 3.45 5.66 -1.15 0.73 114.28 123.26 1dox n THR 82 Ca 0.00 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.15 1dox n THR 82 Cb 0.00 0.00 0.81 0.00 -1.55 0.00 0.00 70.33 69.59 1dox n THR 82 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 1dox h SER 83 N 0.00 0.00 -5.46 1.09 0.87 -1.85 0.80 113.55 108.99 1dox h SER 83 Ca 0.00 0.00 0.24 0.00 -1.23 0.00 0.00 61.79 60.80 1dox h SER 83 Cb 0.00 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 61.86 1dox h SER 83 CO 0.00 0.00 0.65 1.51 -0.53 0.00 0.00 176.83 178.46 1dox s ASP 84 N -4.38 -0.13 0.36 6.23 -4.77 -1.26 -4.15 116.67 108.57 1dox s ASP 84 Ca -0.03 -0.26 0.03 0.00 -3.30 0.00 0.00 52.55 48.99 1dox s ASP 84 Cb 0.09 0.33 -0.04 0.00 -1.09 0.00 0.00 42.92 42.20 1dox s ASP 84 CO 0.27 -0.61 0.09 0.00 0.70 0.00 0.00 175.17 175.62 1dox s THR 86 N -3.27 -0.50 -0.04 0.00 2.01 -1.25 -4.12 115.64 108.47 1dox s THR 86 Ca 0.30 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.31 1dox s THR 86 Cb 0.06 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.59 1dox s THR 86 CO 0.14 0.00 -0.04 -0.51 -0.69 0.00 0.00 174.62 173.52 1dox s ILE 87 N 2.62 0.50 -0.49 1.82 1.10 -1.20 -3.24 121.20 122.31 1dox s ILE 87 Ca -0.00 -0.11 -0.05 0.00 -0.51 0.00 0.00 60.65 59.98 1dox s ILE 87 Cb -0.08 -0.53 -0.04 0.00 0.15 0.00 0.00 42.46 41.96 1dox s ILE 87 CO -0.16 0.21 3.00 -0.62 -2.11 0.00 0.00 174.94 175.26 1dox n GLU 88 N 3.98 2.61 0.03 3.50 -0.58 -0.72 -3.28 120.64 126.19 1dox n GLU 88 Ca -0.25 -2.06 0.13 0.00 -0.42 0.00 0.00 57.16 54.56 1dox n GLU 88 Cb 0.51 -2.20 0.54 0.00 -0.57 0.00 0.00 31.44 29.73 1dox n GLU 88 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1dox n THR 89 N 1.63 0.24 -1.67 2.62 -1.04 -0.80 -3.29 114.28 111.96 1dox n THR 89 Ca 0.50 -0.05 -0.35 0.00 -2.04 0.00 0.00 64.05 62.11 1dox n THR 89 Cb 0.61 -0.57 0.07 0.00 -1.82 0.00 0.00 70.33 68.62 1dox n THR 89 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1dox s HIS 90 N -3.03 2.16 0.00 -1.42 5.65 0.48 -2.83 115.29 116.30 1dox s HIS 90 Ca 0.12 1.55 0.00 0.00 0.25 0.00 0.00 55.06 56.98 1dox s HIS 90 Cb 0.16 -3.52 0.00 0.00 -1.18 0.00 0.00 32.58 28.04 1dox s HIS 90 CO 0.53 -2.56 0.00 1.17 -0.65 0.00 0.00 174.74 173.23 1dox n LYS 91 N -2.22 0.00 -1.14 2.88 4.81 -1.26 -4.34 118.16 116.89 1dox n LYS 91 Ca 0.14 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.53 1dox n LYS 91 Cb 0.50 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.52 1dox n LYS 91 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1dox n GLU 92 N 0.00 -1.64 -2.11 1.64 -0.58 -1.13 -1.56 120.64 115.26 1dox n GLU 92 Ca 0.00 0.63 -0.14 0.00 -0.42 0.00 0.00 57.16 57.23 1dox n GLU 92 Cb 0.00 -4.94 -0.02 0.00 -0.57 0.00 0.00 31.44 25.90 1dox n GLU 92 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1dox n GLU 93 N -0.27 -1.85 0.00 3.49 1.02 -1.26 -4.60 120.64 117.17 1dox n GLU 93 Ca -0.05 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 1dox n GLU 93 Cb 0.49 -5.26 0.00 0.00 -0.02 0.00 0.00 31.44 26.65 1dox n GLU 93 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1dox n ASP 94 N -1.48 0.00 0.05 1.62 9.92 -0.85 -5.08 116.55 120.73 1dox n ASP 94 Ca -0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 1dox n ASP 94 Cb 0.58 0.07 0.00 0.00 -0.64 0.00 0.00 41.12 41.13 1dox n ASP 94 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1dox n LEU 95 N -2.29 -0.86 0.00 0.64 7.94 -0.60 -5.16 117.00 116.67 1dox n LEU 95 Ca 0.00 0.19 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 1dox n LEU 95 Cb 0.00 1.19 0.00 0.00 0.53 0.00 0.00 43.42 45.14 1dox n LEU 95 CO 0.00 -0.32 0.00 0.00 -1.11 0.00 0.00 177.39 175.96