#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1x s LYS 2 N 0.00 0.21 -0.22 1.64 2.20 -1.26 -4.87 119.74 117.43 1x1x s LYS 2 Ca 0.00 0.10 -0.10 0.00 -0.36 0.00 0.00 55.97 55.61 1x1x s LYS 2 Cb 0.00 0.10 -0.05 0.00 -1.51 0.00 0.00 37.83 36.37 1x1x s LYS 2 CO 0.00 -0.06 0.13 0.00 -0.36 0.00 0.00 175.35 175.07 1x1x s ALA 3 N -0.73 3.57 -0.22 3.13 0.00 -0.92 -5.02 121.76 121.56 1x1x s ALA 3 Ca 0.06 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 1x1x s ALA 3 Cb -0.02 -2.22 -0.01 0.00 0.00 0.00 0.00 23.12 20.87 1x1x s ALA 3 CO -0.07 -0.09 -0.02 0.08 0.00 0.00 0.00 175.76 175.66 1x1x s VAL 4 N 0.86 3.59 -0.56 0.00 1.01 -1.26 -0.98 120.40 123.06 1x1x s VAL 4 Ca 0.07 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 1x1x s VAL 4 Cb -0.13 -2.64 0.14 0.00 0.00 0.00 0.00 36.38 33.75 1x1x s VAL 4 CO 0.03 0.42 0.49 -0.63 0.00 0.00 0.00 175.10 175.40 1x1x s ILE 5 N 1.37 4.86 -0.81 2.22 -1.09 -0.01 -5.00 121.20 122.75 1x1x s ILE 5 Ca 0.04 -1.81 -0.25 0.00 -2.23 0.00 0.00 60.65 56.40 1x1x s ILE 5 Cb -0.14 -4.12 -0.05 0.00 -1.58 0.00 0.00 42.46 36.56 1x1x s ILE 5 CO -0.01 -0.86 2.00 0.21 -1.23 0.00 0.00 174.94 175.05 1x1x s ASN 6 N 2.93 5.00 0.41 3.58 3.84 -1.26 -2.40 114.94 127.04 1x1x s ASN 6 Ca 0.07 -0.29 0.14 0.00 0.21 0.00 0.00 52.86 52.99 1x1x s ASN 6 Cb -0.25 -2.55 1.00 0.00 -0.55 0.00 0.00 41.25 38.90 1x1x s ASN 6 CO -0.00 -2.80 1.91 1.23 -2.79 0.00 0.00 177.10 174.65 1x1x h GLY 7 N 18.15 0.81 1.96 1.21 0.00 -1.19 -1.37 103.07 122.64 1x1x h GLY 7 Ca -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 1x1x h GLY 7 CO 1.19 0.07 -0.17 -2.09 0.00 0.00 0.00 176.54 175.54 1x1x h GLU 8 N 0.48 0.06 -0.06 4.80 4.81 -1.75 -2.67 114.58 120.25 1x1x h GLU 8 Ca 0.38 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1x1x h GLU 8 Cb 0.81 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1x1x h GLU 8 CO -0.14 0.23 0.00 1.04 -0.73 0.00 0.00 179.01 179.41 1x1x n GLN 9 N -4.31 1.71 -2.61 1.92 3.00 -0.52 -4.85 117.38 111.71 1x1x n GLN 9 Ca -0.02 -1.04 -0.42 0.00 -0.01 0.00 0.00 57.00 55.51 1x1x n GLN 9 Cb 0.25 -1.46 -0.03 0.00 0.00 0.00 0.00 30.24 29.00 1x1x n GLN 9 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1x1x s ILE 10 N -1.94 4.02 0.04 5.09 1.09 -1.05 -4.91 121.20 123.54 1x1x s ILE 10 Ca 0.36 0.73 -0.28 0.00 -1.10 0.00 0.00 60.65 60.36 1x1x s ILE 10 Cb 0.20 -4.73 -0.15 0.00 -1.06 0.00 0.00 42.46 36.71 1x1x s ILE 10 CO 0.31 -1.39 1.33 0.03 -0.10 0.00 0.00 174.94 175.12 1x1x h ARG 11 N 9.59 -0.97 0.00 2.79 3.08 -1.90 -3.44 114.38 123.53 1x1x h ARG 11 Ca -0.26 0.07 -0.41 0.00 0.07 0.00 0.00 59.98 59.45 1x1x h ARG 11 Cb 1.06 0.22 -0.10 0.00 0.08 0.00 0.00 29.97 31.23 1x1x h ARG 11 CO 1.19 -0.65 -0.36 -1.13 -1.07 0.00 0.00 179.97 177.95 1x1x n SER 12 N -4.90 0.48 0.01 7.04 3.41 -1.26 -4.67 113.62 113.72 1x1x n SER 12 Ca -0.13 -2.70 -0.13 0.00 -0.26 0.00 0.00 58.87 55.66 1x1x n SER 12 Cb 0.40 1.00 -0.01 0.00 -0.26 0.00 0.00 64.21 65.34 1x1x n SER 12 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1x1x h ILE 13 N 1.65 1.33 -0.90 -1.33 2.10 -1.94 -2.16 117.51 116.25 1x1x h ILE 13 Ca -0.22 -2.01 0.05 0.00 1.08 0.00 0.00 64.86 63.76 1x1x h ILE 13 Cb 0.94 1.99 -0.06 0.00 -1.09 0.00 0.00 36.82 38.60 1x1x h ILE 13 CO 0.34 0.62 0.59 -1.28 -1.08 0.00 0.00 178.15 177.34 1x1x h SER 14 N 0.42 0.93 0.58 2.19 0.87 -1.97 0.17 113.55 116.74 1x1x h SER 14 Ca -0.03 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.45 1x1x h SER 14 Cb 1.31 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1x1x h SER 14 CO 0.14 0.61 -0.35 -0.78 -0.53 0.00 0.00 176.83 175.91 1x1x h ASP 15 N 1.06 0.00 -0.18 6.23 3.58 -1.91 -2.20 116.42 123.01 1x1x h ASP 15 Ca 0.38 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.72 1x1x h ASP 15 Cb 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 1x1x h ASP 15 CO -0.13 0.35 -0.31 0.25 -2.88 0.00 0.00 179.24 176.52 1x1x h LEU 16 N 0.00 0.58 -0.81 2.28 5.85 -0.06 -2.38 115.31 120.77 1x1x h LEU 16 Ca -0.00 -0.54 -0.04 0.00 0.84 0.00 0.00 57.88 58.14 1x1x h LEU 16 Cb 0.74 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 1x1x h LEU 16 CO 0.05 1.01 0.34 0.45 -0.34 0.00 0.00 178.44 179.95 1x1x h HIS 17 N 0.17 1.22 -0.54 1.25 3.86 -0.97 0.87 115.15 121.01 1x1x h HIS 17 Ca 0.01 -0.08 -0.05 0.00 -1.16 0.00 0.00 60.37 59.08 1x1x h HIS 17 Cb 0.90 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 1x1x h HIS 17 CO 0.09 0.91 0.11 1.96 0.86 0.00 0.00 177.93 181.86 1x1x h GLN 18 N 1.17 0.83 -0.20 2.45 4.20 -1.39 0.13 115.11 122.31 1x1x h GLN 18 Ca 0.27 -0.18 -0.10 0.00 0.06 0.00 0.00 58.65 58.70 1x1x h GLN 18 Cb 0.19 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 1x1x h GLN 18 CO -0.03 0.76 -0.27 1.15 -0.67 0.00 0.00 178.83 179.78 1x1x h THR 19 N 0.80 1.33 -0.93 -0.54 2.02 -0.88 -2.44 112.91 112.27 1x1x h THR 19 Ca 0.17 -1.47 -0.01 0.00 0.77 0.00 0.00 66.41 65.87 1x1x h THR 19 Cb 0.32 1.81 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 1x1x h THR 19 CO 0.00 0.45 0.54 -0.07 0.37 0.00 0.00 175.52 176.81 1x1x h LEU 20 N 0.20 1.14 -0.14 2.58 3.38 -0.56 0.30 115.31 122.22 1x1x h LEU 20 Ca 0.02 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1x1x h LEU 20 Cb 0.84 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1x1x h LEU 20 CO 0.06 0.89 -0.05 0.50 0.09 0.00 0.00 178.44 179.94 1x1x h LYS 21 N 1.30 -0.02 -0.02 1.13 3.64 -0.62 0.20 116.57 122.18 1x1x h LYS 21 Ca 0.33 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.53 1x1x h LYS 21 Cb -0.02 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1x1x h LYS 21 CO -0.06 -0.01 -0.71 0.87 -2.27 0.00 0.00 179.45 177.27 1x1x h LYS 22 N -0.02 0.51 0.00 1.90 1.79 -1.12 -0.79 116.57 118.84 1x1x h LYS 22 Ca 0.07 -0.53 -0.04 0.00 -2.18 0.00 0.00 60.65 57.98 1x1x h LYS 22 Cb 0.13 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 1x1x h LYS 22 CO -0.15 1.16 -0.17 0.93 -1.08 0.00 0.00 179.45 180.13 1x1x h GLU 23 N 0.08 0.00 -0.16 3.15 4.39 -0.36 -3.17 114.58 118.51 1x1x h GLU 23 Ca -0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1x1x h GLU 23 Cb 1.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 1x1x h GLU 23 CO 0.14 0.17 0.00 1.28 -1.16 0.00 0.00 179.01 179.45 1x1x n LEU 24 N -3.99 2.28 -3.61 1.33 4.77 0.05 -4.78 117.00 113.05 1x1x n LEU 24 Ca -0.02 -1.64 -0.21 0.00 -0.03 0.00 0.00 56.01 54.11 1x1x n LEU 24 Cb 0.26 -0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.31 1x1x n LEU 24 CO 0.34 0.54 0.07 0.00 -1.33 0.00 0.00 177.39 177.00 1x1x n ALA 25 N 0.29 -1.82 -1.28 -1.18 0.00 -0.72 -4.87 120.51 110.93 1x1x n ALA 25 Ca 0.07 0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 1x1x n ALA 25 Cb 0.31 -2.99 0.11 0.00 0.00 0.00 0.00 19.45 16.88 1x1x n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x1x s LEU 26 N -6.74 2.56 0.72 0.00 1.43 -0.38 -4.91 118.68 111.36 1x1x s LEU 26 Ca 0.18 1.56 -0.16 0.00 -1.03 0.00 0.00 54.13 54.68 1x1x s LEU 26 Cb -0.08 -4.11 0.02 0.00 0.03 0.00 0.00 46.19 42.05 1x1x s LEU 26 CO 0.77 -2.33 1.18 -0.81 0.23 0.00 0.00 176.35 175.39 1x1x n PRO 27 N -3.69 0.65 0.23 1.29 -0.04 -1.26 -4.88 135.00 127.30 1x1x n PRO 27 Ca 0.08 0.28 0.07 0.00 -0.04 0.00 0.00 63.50 63.89 1x1x n PRO 27 Cb 0.55 -2.42 0.58 0.00 -0.04 0.00 0.00 33.50 32.17 1x1x n PRO 27 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1x1x h GLU 28 N -0.15 0.05 -0.10 0.54 4.39 -1.98 -0.81 114.58 116.52 1x1x h GLU 28 Ca -0.48 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1x1x h GLU 28 Cb 1.33 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1x1x h GLU 28 CO 0.49 0.08 0.00 2.48 -1.16 0.00 0.00 179.01 180.90 1x1x n TYR 29 N -4.48 0.13 -1.32 4.33 0.18 -1.26 -4.95 117.16 109.78 1x1x n TYR 29 Ca -0.02 -0.06 -0.52 0.00 1.88 0.00 0.00 57.90 59.18 1x1x n TYR 29 Cb 0.13 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.02 1x1x n TYR 29 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1x1x n TYR 30 N -0.11 0.95 0.82 -3.48 9.36 -0.31 -4.81 117.16 119.57 1x1x n TYR 30 Ca 0.15 0.90 0.10 0.00 3.32 0.00 0.00 57.90 62.37 1x1x n TYR 30 Cb 0.23 -1.76 0.47 0.00 -0.63 0.00 0.00 39.34 37.64 1x1x n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1x1x n GLY 31 N 2.17 -1.06 3.83 2.98 0.00 -1.26 -4.93 105.19 106.93 1x1x n GLY 31 Ca 0.21 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1x1x n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x1x n GLU 32 N -1.39 -2.82 -3.95 1.61 1.02 -1.26 -4.95 120.64 108.90 1x1x n GLU 32 Ca 0.07 0.45 -0.08 0.00 -0.02 0.00 0.00 57.16 57.58 1x1x n GLU 32 Cb 0.19 -4.46 -0.04 0.00 -0.02 0.00 0.00 31.44 27.11 1x1x n GLU 32 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1x1x s ASN 33 N -4.07 -0.15 0.39 1.62 2.20 -1.26 -4.98 114.94 108.69 1x1x s ASN 33 Ca 0.16 -0.82 0.09 0.00 -0.94 0.00 0.00 52.86 51.35 1x1x s ASN 33 Cb -0.06 0.64 0.80 0.00 -2.00 0.00 0.00 41.25 40.63 1x1x s ASN 33 CO 0.87 -1.22 1.95 -0.07 -2.94 0.00 0.00 177.10 175.69 1x1x h LEU 34 N 2.16 0.30 -0.39 3.54 3.38 -1.98 -0.88 115.31 121.44 1x1x h LEU 34 Ca -0.24 -0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.51 1x1x h LEU 34 Cb 1.25 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1x1x h LEU 34 CO 0.31 0.38 -0.59 0.44 0.09 0.00 0.00 178.44 179.07 1x1x h ASP 35 N 0.31 0.77 -0.39 -0.43 3.32 -1.98 -1.87 116.42 116.15 1x1x h ASP 35 Ca 0.07 -0.43 -0.14 0.00 0.02 0.00 0.00 57.03 56.55 1x1x h ASP 35 Cb 0.26 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1x1x h ASP 35 CO 0.01 1.19 -0.27 0.00 -1.72 0.00 0.00 179.24 178.45 1x1x h ALA 36 N 0.82 0.71 -0.67 3.45 0.00 -1.85 -2.28 119.26 119.44 1x1x h ALA 36 Ca -0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1x1x h ALA 36 Cb 1.17 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1x1x h ALA 36 CO 0.12 0.67 0.28 1.25 0.00 0.00 0.00 179.25 181.57 1x1x h LEU 37 N 0.78 0.92 0.34 0.00 5.85 -1.06 -0.87 115.31 121.26 1x1x h LEU 37 Ca 0.09 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1x1x h LEU 37 Cb 0.84 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1x1x h LEU 37 CO 0.07 0.83 -0.16 -0.25 -0.34 0.00 0.00 178.44 178.59 1x1x h TRP 38 N 0.95 -0.42 -0.73 1.25 2.91 -1.22 -0.35 115.95 118.34 1x1x h TRP 38 Ca 0.23 -0.01 0.11 0.00 1.13 0.00 0.00 58.89 60.35 1x1x h TRP 38 Cb 0.19 0.14 -0.08 0.00 -0.51 0.00 0.00 29.16 28.90 1x1x h TRP 38 CO 0.01 -0.20 0.34 0.22 -1.03 0.00 0.00 178.44 177.78 1x1x h ASP 39 N -0.56 0.40 -0.19 2.65 3.58 -1.25 0.14 116.42 121.19 1x1x h ASP 39 Ca -0.05 0.08 -0.14 0.00 0.42 0.00 0.00 57.03 57.34 1x1x h ASP 39 Cb 0.41 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 1x1x h ASP 39 CO 0.08 0.21 -0.36 0.00 -2.88 0.00 0.00 179.24 176.29 1x1x h ALA 40 N 1.47 0.78 0.00 -0.78 0.00 -1.02 0.42 119.26 120.13 1x1x h ALA 40 Ca 0.37 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1x1x h ALA 40 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1x1x h ALA 40 CO -0.31 0.65 -0.22 -0.07 0.00 0.00 0.00 179.25 179.30 1x1x h LEU 41 N 0.60 0.00 0.00 0.00 3.38 -0.24 -0.11 115.31 118.94 1x1x h LEU 41 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1x1x h LEU 41 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1x1x h LEU 41 CO 0.08 0.22 -0.65 0.35 0.09 0.00 0.00 178.44 178.53 1x1x n THR 42 N -3.28 0.00 -2.71 0.22 -2.24 -0.04 -4.74 114.28 101.49 1x1x n THR 42 Ca 0.01 -0.22 -0.01 0.00 -2.27 0.00 0.00 64.05 61.56 1x1x n THR 42 Cb 0.49 0.93 0.07 0.00 -2.10 0.00 0.00 70.33 69.72 1x1x n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x1x n GLY 43 N 1.33 1.75 1.94 3.38 0.00 0.15 -4.99 105.19 108.74 1x1x n GLY 43 Ca 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1x1x n GLY 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1x1x n TRP 44 N -0.81 -3.62 -1.53 1.61 -0.00 -0.92 -4.82 117.44 107.34 1x1x n TRP 44 Ca -0.04 0.89 -0.36 0.00 -0.00 0.00 0.00 57.50 57.99 1x1x n TRP 44 Cb 0.85 2.41 0.08 0.00 -0.00 0.00 0.00 31.31 34.65 1x1x n TRP 44 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 1x1x n VAL 45 N -3.02 3.83 -3.03 5.87 0.24 -0.10 -4.99 118.33 117.13 1x1x n VAL 45 Ca 0.00 -0.42 -0.37 0.00 -2.04 0.00 0.00 64.34 61.51 1x1x n VAL 45 Cb 0.00 -1.30 -0.06 0.00 -1.47 0.00 0.00 33.84 31.01 1x1x n VAL 45 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1x1x s GLU 46 N -3.40 4.37 0.17 7.34 2.12 -1.26 -5.00 118.70 123.05 1x1x s GLU 46 Ca 0.78 1.00 0.08 0.00 0.36 0.00 0.00 54.97 57.19 1x1x s GLU 46 Cb -0.36 -2.97 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 1x1x s GLU 46 CO 0.45 0.43 -0.05 0.71 -0.54 0.00 0.00 175.26 176.26 1x1x s TYR 47 N -1.43 2.73 0.50 5.30 2.02 -1.26 -4.22 117.35 120.99 1x1x s TYR 47 Ca 0.42 -0.18 -0.20 0.00 -0.37 0.00 0.00 57.07 56.74 1x1x s TYR 47 Cb -0.19 -1.34 -0.08 0.00 -0.40 0.00 0.00 41.96 39.96 1x1x s TYR 47 CO 0.23 0.51 1.06 -1.25 -1.57 0.00 0.00 175.55 174.53 1x1x s PRO 48 N -2.84 3.69 -0.15 -1.71 0.04 -1.26 -5.12 135.00 127.65 1x1x s PRO 48 Ca 0.26 1.43 0.01 0.00 0.04 0.00 0.00 61.00 62.74 1x1x s PRO 48 Cb -0.09 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1x1x s PRO 48 CO 0.17 -0.54 -0.18 -1.17 0.04 0.00 0.00 177.00 175.32 1x1x s LEU 49 N -3.56 2.33 -0.24 -3.56 2.96 -0.04 -5.04 118.68 111.53 1x1x s LEU 49 Ca 0.69 -0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 54.06 1x1x s LEU 49 Cb -0.18 -1.52 0.02 0.00 0.50 0.00 0.00 46.19 45.01 1x1x s LEU 49 CO 0.22 0.09 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.58 1x1x s VAL 50 N 0.80 2.89 -0.24 1.68 1.01 -1.26 0.02 120.40 125.29 1x1x s VAL 50 Ca -0.06 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 1x1x s VAL 50 Cb -0.15 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.81 1x1x s VAL 50 CO -0.00 0.26 -0.05 -0.22 0.00 0.00 0.00 175.10 175.08 1x1x s LEU 51 N 1.35 3.06 -0.31 3.92 2.96 0.10 -2.18 118.68 127.58 1x1x s LEU 51 Ca 0.01 -0.67 -0.08 0.00 -0.22 0.00 0.00 54.13 53.17 1x1x s LEU 51 Cb -0.16 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 44.84 1x1x s LEU 51 CO -0.05 -0.09 0.12 -0.70 -1.32 0.00 0.00 176.35 174.32 1x1x s GLU 52 N 1.39 3.14 -0.63 1.98 2.12 -0.15 0.18 118.70 126.73 1x1x s GLU 52 Ca 0.03 -0.84 -0.11 0.00 0.36 0.00 0.00 54.97 54.41 1x1x s GLU 52 Cb -0.16 -3.49 0.16 0.00 0.26 0.00 0.00 34.13 30.91 1x1x s GLU 52 CO -0.04 -0.47 0.53 -0.46 -0.54 0.00 0.00 175.26 174.28 1x1x s TRP 53 N 1.54 3.50 0.29 5.30 -0.11 0.88 -0.83 118.94 129.52 1x1x s TRP 53 Ca 0.03 -1.96 -0.29 0.00 1.22 0.00 0.00 56.10 55.10 1x1x s TRP 53 Cb -0.17 -3.61 -0.09 0.00 -1.50 0.00 0.00 33.47 28.10 1x1x s TRP 53 CO 0.04 -0.97 1.04 0.50 -4.62 0.00 0.00 176.95 172.95 1x1x s ARG 54 N 0.75 4.62 -1.42 5.86 3.52 -1.01 -2.04 118.95 129.24 1x1x s ARG 54 Ca 0.11 1.66 -0.04 0.00 -0.13 0.00 0.00 55.73 57.33 1x1x s ARG 54 Cb -0.21 -3.10 0.03 0.00 -1.56 0.00 0.00 34.95 30.12 1x1x s ARG 54 CO -0.03 0.24 0.64 1.04 -0.81 0.00 0.00 175.30 176.38 1x1x n GLN 55 N 1.05 -4.23 -0.30 5.12 6.02 -0.59 -0.83 117.38 123.61 1x1x n GLN 55 Ca -0.00 0.51 0.12 0.00 -0.01 0.00 0.00 57.00 57.62 1x1x n GLN 55 Cb 0.46 -4.97 0.30 0.00 1.02 0.00 0.00 30.24 27.05 1x1x n GLN 55 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1x1x h PHE 56 N -1.86 0.68 -0.70 1.08 3.57 -1.66 -1.37 116.94 116.67 1x1x h PHE 56 Ca -0.61 0.04 0.03 0.00 3.53 0.00 0.00 57.97 60.96 1x1x h PHE 56 Cb 1.37 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.91 1x1x h PHE 56 CO 0.51 -0.01 0.47 0.93 -2.23 0.00 0.00 178.31 177.97 1x1x h GLU 57 N 0.44 0.84 0.67 1.11 4.39 -1.90 0.18 114.58 120.30 1x1x h GLU 57 Ca 0.55 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 60.16 1x1x h GLU 57 Cb 1.00 -0.19 0.01 0.00 -0.10 0.00 0.00 28.75 29.47 1x1x h GLU 57 CO -0.50 0.55 -0.32 1.96 -1.16 0.00 0.00 179.01 179.54 1x1x h GLN 58 N 0.86 -0.87 0.00 2.33 1.08 -1.55 -0.90 115.11 116.07 1x1x h GLN 58 Ca 0.28 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.54 1x1x h GLN 58 Cb 0.04 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1x1x h GLN 58 CO -0.08 -0.57 0.00 0.66 -0.95 0.00 0.00 178.83 177.89 1x1x h SER 59 N -0.92 0.00 -0.15 1.46 4.64 -1.31 0.43 113.55 117.71 1x1x h SER 59 Ca -0.09 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.00 1x1x h SER 59 Cb 0.70 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.80 1x1x h SER 59 CO 0.15 0.00 -0.79 0.50 -0.87 0.00 0.00 176.83 175.82 1x1x h LYS 60 N 0.00 0.79 0.16 4.77 3.64 -0.38 -2.21 116.57 123.34 1x1x h LYS 60 Ca 0.00 -0.66 -0.33 0.00 -1.27 0.00 0.00 60.65 58.40 1x1x h LYS 60 Cb 0.31 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1x1x h LYS 60 CO 0.00 1.26 -1.61 1.96 -2.27 0.00 0.00 179.45 178.79 1x1x h GLN 61 N 0.53 0.33 -0.87 1.90 4.20 -0.59 -3.31 115.11 117.31 1x1x h GLN 61 Ca -0.06 -0.57 0.10 0.00 0.06 0.00 0.00 58.65 58.19 1x1x h GLN 61 Cb 1.42 0.21 -0.06 0.00 0.30 0.00 0.00 27.48 29.35 1x1x h GLN 61 CO 0.16 1.22 0.56 1.25 -0.67 0.00 0.00 178.83 181.36 1x1x h LEU 62 N 0.09 0.74 -9.46 1.46 5.85 -0.22 -3.40 115.31 110.37 1x1x h LEU 62 Ca -0.28 0.02 -0.66 0.00 0.84 0.00 0.00 57.88 57.80 1x1x h LEU 62 Cb 2.06 -0.13 -0.12 0.00 0.37 0.00 0.00 40.66 42.85 1x1x h LEU 62 CO 0.18 0.43 -0.62 0.42 -0.34 0.00 0.00 178.44 178.51 1x1x s THR 63 N -5.76 4.37 0.00 1.05 -4.23 -0.83 -4.88 115.64 105.37 1x1x s THR 63 Ca -0.10 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1x1x s THR 63 Cb 0.21 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1x1x s THR 63 CO 0.79 0.33 0.62 -0.62 -0.54 0.00 0.00 174.62 175.20 1x1x n GLU 64 N 1.19 0.00 0.00 3.99 1.02 -1.26 -4.58 120.64 120.99 1x1x n GLU 64 Ca -0.13 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1x1x n GLU 64 Cb 0.53 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 1x1x n GLU 64 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1x1x n ASN 65 N -1.41 0.00 -0.08 1.62 6.94 -1.26 -4.85 115.26 116.22 1x1x n ASN 65 Ca 0.00 -1.00 0.11 0.00 -0.02 0.00 0.00 54.58 53.67 1x1x n ASN 65 Cb 0.00 0.00 0.50 0.00 -2.36 0.00 0.00 39.78 37.92 1x1x n ASN 65 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1x1x h GLY 66 N 0.00 0.57 0.70 4.83 0.00 -1.90 -2.61 103.07 104.67 1x1x h GLY 66 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1x1x h GLY 66 CO 0.00 0.11 -0.29 0.00 0.00 0.00 0.00 176.54 176.36 1x1x h ALA 67 N 1.70 -0.63 -0.90 3.60 0.00 -1.86 0.26 119.26 121.43 1x1x h ALA 67 Ca 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1x1x h ALA 67 Cb 0.50 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1x1x h ALA 67 CO -0.07 -0.88 0.53 1.49 0.00 0.00 0.00 179.25 180.31 1x1x h GLU 68 N -0.63 1.24 -0.74 0.00 4.57 -1.88 -0.07 114.58 117.07 1x1x h GLU 68 Ca -0.02 -0.12 0.02 0.00 -1.18 0.00 0.00 59.36 58.06 1x1x h GLU 68 Cb 0.57 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 28.86 1x1x h GLU 68 CO -0.04 0.88 0.48 0.77 -1.18 0.00 0.00 179.01 179.91 1x1x h SER 69 N 1.25 0.81 -0.35 1.04 0.02 -1.05 0.19 113.55 115.46 1x1x h SER 69 Ca 0.32 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.14 1x1x h SER 69 Cb -0.03 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1x1x h SER 69 CO -0.06 0.58 -0.25 0.58 -1.14 0.00 0.00 176.83 176.54 1x1x h VAL 70 N 0.96 1.29 -0.76 2.27 2.07 0.10 -2.73 116.25 119.44 1x1x h VAL 70 Ca 0.28 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 1x1x h VAL 70 Cb -0.06 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1x1x h VAL 70 CO -0.08 0.46 0.45 0.25 0.02 0.00 0.00 177.57 178.67 1x1x h LEU 71 N 0.57 0.93 -1.39 2.57 5.85 -0.52 -2.07 115.31 121.24 1x1x h LEU 71 Ca 0.07 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1x1x h LEU 71 Cb 0.81 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1x1x h LEU 71 CO 0.07 0.74 0.47 1.56 -0.34 0.00 0.00 178.44 180.93 1x1x h GLN 72 N 1.05 0.72 -0.49 1.25 4.20 -0.51 -1.05 115.11 120.27 1x1x h GLN 72 Ca 0.27 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.82 1x1x h GLN 72 Cb -0.01 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 1x1x h GLN 72 CO -0.05 0.47 -0.15 0.28 -0.67 0.00 0.00 178.83 178.71 1x1x h VAL 73 N 0.74 1.27 -0.50 -0.54 2.07 -1.07 0.27 116.25 118.48 1x1x h VAL 73 Ca 0.31 -1.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 1x1x h VAL 73 Cb 0.26 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1x1x h VAL 73 CO -0.10 0.45 0.08 -0.26 0.02 0.00 0.00 177.57 177.76 1x1x h PHE 74 N 0.84 0.88 -0.35 1.57 0.04 -1.06 -0.91 116.94 117.95 1x1x h PHE 74 Ca 0.12 -0.12 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 1x1x h PHE 74 Cb 0.71 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 1x1x h PHE 74 CO 0.04 0.80 -0.05 0.00 -0.60 0.00 0.00 178.31 178.50 1x1x h ARG 75 N 0.70 0.66 -0.87 1.51 3.08 -1.00 -1.35 114.38 117.11 1x1x h ARG 75 Ca 0.15 -0.24 0.04 0.00 0.07 0.00 0.00 59.98 60.01 1x1x h ARG 75 Cb 0.39 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 1x1x h ARG 75 CO 0.01 0.80 0.57 0.00 -1.07 0.00 0.00 179.97 180.28 1x1x h ALA 76 N 0.83 1.47 -0.45 0.04 0.00 -0.35 0.11 119.26 120.92 1x1x h ALA 76 Ca 0.09 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1x1x h ALA 76 Cb 0.54 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1x1x h ALA 76 CO 0.03 0.43 -0.25 0.00 0.00 0.00 0.00 179.25 179.46 1x1x h ALA 77 N 1.50 0.64 -0.62 0.00 0.00 -0.91 -1.36 119.26 118.50 1x1x h ALA 77 Ca 0.35 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1x1x h ALA 77 Cb 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1x1x h ALA 77 CO -0.11 0.65 0.02 -0.22 0.00 0.00 0.00 179.25 179.59 1x1x h LYS 78 N 0.81 1.08 -0.11 0.00 3.11 -0.34 -1.87 116.57 119.25 1x1x h LYS 78 Ca 0.10 -0.33 -0.08 0.00 -2.81 0.00 0.00 60.65 57.53 1x1x h LYS 78 Cb 0.83 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.95 1x1x h LYS 78 CO 0.07 1.04 -0.27 0.00 -2.81 0.00 0.00 179.45 177.48 1x1x h ALA 79 N 1.02 1.34 0.00 5.00 0.00 -0.67 -1.89 119.26 124.06 1x1x h ALA 79 Ca 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1x1x h ALA 79 Cb 0.53 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1x1x h ALA 79 CO 0.03 0.46 0.00 1.49 0.00 0.00 0.00 179.25 181.23 1x1x h GLU 80 N 0.19 0.00 0.00 0.00 4.57 -0.48 -3.46 114.58 115.40 1x1x h GLU 80 Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1x1x h GLU 80 Cb 0.58 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1x1x h GLU 80 CO 0.04 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.28 1x1x n GLY 81 N -0.32 1.36 3.77 1.92 0.00 -0.71 -5.08 105.19 106.13 1x1x n GLY 81 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1x1x n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1x s ALA 82 N -2.00 3.34 -1.32 4.61 0.00 -0.81 -4.90 121.76 120.68 1x1x s ALA 82 Ca 0.00 1.28 -0.16 0.00 0.00 0.00 0.00 51.96 53.08 1x1x s ALA 82 Cb 0.00 -3.50 0.09 0.00 0.00 0.00 0.00 23.12 19.71 1x1x s ALA 82 CO 0.00 -0.81 1.82 -3.47 0.00 0.00 0.00 175.76 173.30 1x1x n ASP 83 N 0.30 4.74 -4.26 0.00 2.03 -1.26 -4.37 116.55 113.73 1x1x n ASP 83 Ca 0.03 -2.92 -0.33 0.00 0.52 0.00 0.00 54.79 52.08 1x1x n ASP 83 Cb 0.43 -1.68 -0.16 0.00 -0.72 0.00 0.00 41.12 38.99 1x1x n ASP 83 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1x1x s ILE 84 N 3.27 2.51 -0.18 5.18 1.01 -1.26 -0.86 121.20 130.87 1x1x s ILE 84 Ca 0.49 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 60.27 1x1x s ILE 84 Cb 0.06 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 1x1x s ILE 84 CO 0.02 0.53 -0.03 -0.89 0.00 0.00 0.00 174.94 174.57 1x1x s THR 85 N 0.60 3.77 -0.17 2.92 2.01 0.10 -4.89 115.64 119.98 1x1x s THR 85 Ca -0.10 -0.39 -0.03 0.00 0.31 0.00 0.00 61.69 61.49 1x1x s THR 85 Cb -0.16 -2.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 1x1x s THR 85 CO 0.03 0.46 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.72 1x1x s ILE 86 N 0.73 3.42 -0.33 1.82 -1.09 -1.26 0.01 121.20 124.50 1x1x s ILE 86 Ca -0.01 -0.51 -0.01 0.00 -2.23 0.00 0.00 60.65 57.89 1x1x s ILE 86 Cb -0.14 -2.50 0.08 0.00 -1.58 0.00 0.00 42.46 38.31 1x1x s ILE 86 CO 0.02 0.48 0.06 -0.63 -1.23 0.00 0.00 174.94 173.63 1x1x s ILE 87 N 0.78 2.86 -0.86 2.92 1.01 0.13 -4.98 121.20 123.07 1x1x s ILE 87 Ca -0.03 -1.77 -0.21 0.00 0.00 0.00 0.00 60.65 58.64 1x1x s ILE 87 Cb -0.15 -2.82 0.09 0.00 0.01 0.00 0.00 42.46 39.59 1x1x s ILE 87 CO 0.02 -0.35 1.16 -0.76 0.00 0.00 0.00 174.94 175.00 1x1x s LEU 88 N 1.14 4.43 0.00 2.97 1.43 -1.26 -0.08 118.68 127.30 1x1x s LEU 88 Ca 0.01 -1.53 0.26 0.00 -1.03 0.00 0.00 54.13 51.84 1x1x s LEU 88 Cb -0.21 -2.45 0.65 0.00 0.03 0.00 0.00 46.19 44.22 1x1x s LEU 88 CO -0.04 -1.31 1.52 -0.24 0.23 0.00 0.00 176.35 176.52