#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kpa h VAL 5 N 0.00 1.09 -0.27 -3.33 3.04 -1.98 0.34 116.25 115.14 3kpa h VAL 5 Ca 0.00 -0.19 -0.10 0.00 -1.01 0.00 0.00 66.70 65.40 3kpa h VAL 5 Cb 0.00 0.49 -0.01 0.00 -2.01 0.00 0.00 31.29 29.76 3kpa h VAL 5 CO 0.00 0.10 -0.26 0.50 -1.01 0.00 0.00 177.57 176.90 3kpa h LYS 6 N 0.55 0.53 0.00 4.17 3.64 -1.99 -2.37 116.57 121.10 3kpa h LYS 6 Ca 0.16 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 3kpa h LYS 6 Cb -0.05 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3kpa h LYS 6 CO -0.04 0.74 -1.03 0.93 -2.27 0.00 0.00 179.45 177.78 3kpa h GLU 7 N 0.46 0.00 0.04 1.90 4.39 -1.94 -2.25 114.58 117.18 3kpa h GLU 7 Ca 0.07 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 3kpa h GLU 7 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 3kpa h GLU 7 CO 0.05 0.29 -0.02 1.03 -1.16 0.00 0.00 179.01 179.20 3kpa h SER 8 N 0.00 -0.04 -0.13 1.42 0.87 -0.26 -2.99 113.55 112.42 3kpa h SER 8 Ca -0.08 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.37 3kpa h SER 8 Cb 1.41 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.37 3kpa h SER 8 CO 0.04 0.07 0.06 0.58 -0.53 0.00 0.00 176.83 177.05 3kpa h VAL 9 N -0.15 1.07 0.00 2.23 2.07 -1.41 -1.86 116.25 118.20 3kpa h VAL 9 Ca -0.01 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3kpa h VAL 9 Cb 0.13 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3kpa h VAL 9 CO 0.01 0.08 0.00 0.77 0.02 0.00 0.00 177.57 178.45 3kpa h SER 10 N 0.23 0.00 -0.15 0.57 4.64 -1.26 -2.50 113.55 115.08 3kpa h SER 10 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3kpa h SER 10 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3kpa h SER 10 CO -0.01 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.49 3kpa n ARG 11 N -2.55 2.03 -2.54 4.77 5.12 -0.71 -4.96 116.66 117.81 3kpa n ARG 11 Ca 0.01 -1.88 -0.42 0.00 -1.93 0.00 0.00 57.85 53.63 3kpa n ARG 11 Cb 0.24 -1.41 -0.03 0.00 -1.16 0.00 0.00 32.46 30.10 3kpa n ARG 11 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3kpa s ILE 12 N -1.56 4.42 0.33 0.55 1.01 -0.94 -4.86 121.20 120.15 3kpa s ILE 12 Ca 0.28 1.73 -0.29 0.00 0.00 0.00 0.00 60.65 62.37 3kpa s ILE 12 Cb 0.18 -4.11 -0.11 0.00 0.01 0.00 0.00 42.46 38.43 3kpa s ILE 12 CO 0.26 0.07 1.55 -2.65 0.00 0.00 0.00 174.94 174.17 3kpa n PRO 13 N 4.49 2.69 -2.31 2.79 -0.02 -1.26 -4.99 135.00 136.38 3kpa n PRO 13 Ca 0.09 0.95 -0.28 0.00 -2.02 0.00 0.00 63.50 62.24 3kpa n PRO 13 Cb 0.48 -2.71 0.03 0.00 -0.02 0.00 0.00 33.50 31.27 3kpa n PRO 13 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kpa s LEU 14 N -1.24 3.24 0.18 2.45 1.43 -1.26 -4.77 118.68 118.71 3kpa s LEU 14 Ca 0.59 0.87 0.08 0.00 -1.03 0.00 0.00 54.13 54.64 3kpa s LEU 14 Cb -0.49 -3.73 -0.04 0.00 0.03 0.00 0.00 46.19 41.97 3kpa s LEU 14 CO 0.56 -1.02 -0.06 -0.76 0.23 0.00 0.00 176.35 175.30 3kpa s LEU 15 N -5.03 3.09 -0.01 1.79 1.02 -0.31 -4.97 118.68 114.27 3kpa s LEU 15 Ca 0.54 -0.51 0.08 0.00 0.02 0.00 0.00 54.13 54.26 3kpa s LEU 15 Cb -0.11 -1.77 -0.12 0.00 0.02 0.00 0.00 46.19 44.22 3kpa s LEU 15 CO 0.47 0.10 0.22 0.29 0.02 0.00 0.00 176.35 177.45 3kpa n LYS 16 N -0.01 1.20 -4.01 1.70 5.02 -1.26 -4.05 118.16 116.75 3kpa n LYS 16 Ca -0.10 -0.06 -0.35 0.00 -2.02 0.00 0.00 58.31 55.78 3kpa n LYS 16 Cb 0.55 -1.13 -0.11 0.00 -0.02 0.00 0.00 35.03 34.33 3kpa n LYS 16 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3kpa s THR 17 N -2.40 4.55 -0.73 -0.18 2.01 -1.26 -5.01 115.64 112.62 3kpa s THR 17 Ca -0.02 -0.11 -0.18 0.00 0.31 0.00 0.00 61.69 61.69 3kpa s THR 17 Cb 0.06 -3.06 0.14 0.00 0.01 0.00 0.00 72.50 69.64 3kpa s THR 17 CO 0.35 0.43 0.83 -0.75 -0.69 0.00 0.00 174.62 174.79 3kpa s LYS 18 N 0.69 3.30 -0.12 4.92 2.47 -1.26 -4.90 119.74 124.85 3kpa s LYS 18 Ca 0.03 -1.67 -0.27 0.00 -1.56 0.00 0.00 55.97 52.49 3kpa s LYS 18 Cb -0.13 -4.46 0.07 0.00 -1.46 0.00 0.00 37.83 31.84 3kpa s LYS 18 CO 0.02 -1.55 0.65 0.00 0.16 0.00 0.00 175.35 174.63 3kpa s ALA 19 N 2.16 -1.67 0.26 3.13 0.00 -1.26 -5.04 121.76 119.34 3kpa s ALA 19 Ca 0.18 1.45 0.01 0.00 0.00 0.00 0.00 51.96 53.61 3kpa s ALA 19 Cb -0.16 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.59 3kpa s ALA 19 CO -0.01 -0.35 0.07 0.41 0.00 0.00 0.00 175.76 175.88 3kpa n GLY 20 N 1.56 3.55 0.34 0.00 0.00 -1.18 -4.26 105.19 105.21 3kpa n GLY 20 Ca -0.17 -2.27 0.18 0.00 0.00 0.00 0.00 46.02 43.75 3kpa n GLY 20 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kpa h PRO 21 N 0.00 0.00 -0.00 1.61 0.11 -1.81 -1.72 132.00 130.18 3kpa h PRO 21 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 3kpa h PRO 21 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 3kpa h PRO 21 CO 0.32 0.00 -0.02 0.54 -0.21 0.00 0.00 178.00 178.63 3kpa n ARG 22 N -3.51 0.73 -0.88 1.05 3.00 -1.26 -4.43 116.66 111.36 3kpa n ARG 22 Ca 0.00 -0.09 0.07 0.00 -0.01 0.00 0.00 57.85 57.83 3kpa n ARG 22 Cb 0.30 -1.50 0.39 0.00 0.00 0.00 0.00 32.46 31.66 3kpa n ARG 22 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3kpa n ASP 23 N -1.06 5.61 0.00 0.55 8.00 -0.65 -5.02 116.55 123.98 3kpa n ASP 23 Ca 0.18 -2.90 0.00 0.00 0.71 0.00 0.00 54.79 52.77 3kpa n ASP 23 Cb 0.21 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 3kpa n ASP 23 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kpa n GLY 24 N 0.61 3.59 0.22 0.44 0.00 -1.26 -2.18 105.19 106.61 3kpa n GLY 24 Ca 0.27 0.23 0.04 0.00 0.00 0.00 0.00 46.02 46.56 3kpa n GLY 24 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3kpa h ASP 25 N 0.00 0.05 0.59 1.61 3.04 -1.98 -2.11 116.42 117.60 3kpa h ASP 25 Ca 0.00 -0.01 -0.13 0.00 -3.24 0.00 0.00 57.03 53.65 3kpa h ASP 25 Cb 0.00 -0.01 -0.02 0.00 -1.04 0.00 0.00 39.33 38.26 3kpa h ASP 25 CO 0.00 0.25 -0.61 0.11 -2.04 0.00 0.00 179.24 176.94 3kpa h LYS 26 N 0.05 0.03 -0.57 4.15 1.79 -1.83 -1.81 116.57 118.36 3kpa h LYS 26 Ca 0.01 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.37 3kpa h LYS 26 Cb 0.38 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 3kpa h LYS 26 CO 0.03 0.63 0.01 2.35 -1.08 0.00 0.00 179.45 181.38 3kpa h TRP 27 N 0.02 1.10 -0.23 -1.35 -0.00 -1.45 0.91 115.95 114.96 3kpa h TRP 27 Ca -0.01 -0.19 -0.00 0.00 -0.00 0.00 0.00 58.89 58.69 3kpa h TRP 27 Cb 1.09 -0.29 -0.01 0.00 -0.00 0.00 0.00 29.16 29.95 3kpa h TRP 27 CO 0.00 0.98 0.14 1.15 -0.00 0.00 0.00 178.44 180.71 3kpa h THR 28 N 0.90 1.09 -0.75 2.65 2.02 -1.25 0.19 112.91 117.75 3kpa h THR 28 Ca 0.16 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 67.13 3kpa h THR 28 Cb 0.54 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 3kpa h THR 28 CO 0.03 0.09 0.50 0.00 0.37 0.00 0.00 175.52 176.50 3kpa h ALA 29 N 1.04 0.96 -0.69 6.16 0.00 -1.26 -1.92 119.26 123.54 3kpa h ALA 29 Ca 0.08 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kpa h ALA 29 Cb 0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3kpa h ALA 29 CO -0.02 0.36 0.45 -0.09 0.00 0.00 0.00 179.25 179.96 3kpa h ARG 30 N 1.01 0.88 -0.57 0.00 9.65 -0.32 -2.85 114.38 122.18 3kpa h ARG 30 Ca 0.28 -0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 59.07 3kpa h ARG 30 Cb -0.10 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.25 3kpa h ARG 30 CO -0.07 0.58 0.21 1.25 2.80 0.00 0.00 179.97 184.74 3kpa h LEU 31 N 0.90 0.77 -0.57 3.80 5.85 -0.34 -0.73 115.31 124.99 3kpa h LEU 31 Ca 0.26 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.88 3kpa h LEU 31 Cb -0.07 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3kpa h LEU 31 CO -0.07 0.70 0.38 0.50 -0.34 0.00 0.00 178.44 179.61 3kpa h LYS 32 N 0.82 0.75 -0.65 1.25 3.64 -1.13 0.20 116.57 121.46 3kpa h LYS 32 Ca 0.19 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 3kpa h LYS 32 Cb 0.19 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 3kpa h LYS 32 CO -0.01 0.50 0.14 0.93 -2.27 0.00 0.00 179.45 178.73 3kpa h GLU 33 N 0.77 1.04 0.10 1.90 5.08 -1.28 -0.05 114.58 122.14 3kpa h GLU 33 Ca 0.21 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3kpa h GLU 33 Cb -0.09 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3kpa h GLU 33 CO -0.05 0.93 -0.11 0.93 -1.00 0.00 0.00 179.01 179.72 3kpa h GLU 34 N 0.98 -0.23 -0.75 2.33 4.39 -0.44 0.48 114.58 121.34 3kpa h GLU 34 Ca 0.20 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.92 3kpa h GLU 34 Cb 0.38 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.04 3kpa h GLU 34 CO 0.01 -0.15 0.48 1.88 -1.16 0.00 0.00 179.01 180.06 3kpa h TYR 35 N -0.23 0.96 -0.64 4.33 0.05 -0.49 -0.26 116.97 120.69 3kpa h TYR 35 Ca 0.01 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 3kpa h TYR 35 Cb 0.23 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.62 3kpa h TYR 35 CO -0.12 0.63 0.27 0.00 -1.05 0.00 0.00 178.16 177.89 3kpa h ALA 36 N 1.26 0.83 -0.11 3.88 0.00 -0.76 -0.62 119.26 123.74 3kpa h ALA 36 Ca 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3kpa h ALA 36 Cb -0.08 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 3kpa h ALA 36 CO -0.06 0.44 0.01 1.03 0.00 0.00 0.00 179.25 180.67 3kpa h SER 37 N 0.90 0.18 -0.07 0.00 0.87 -0.66 -2.66 113.55 112.11 3kpa h SER 37 Ca 0.22 -0.28 0.02 0.00 -1.23 0.00 0.00 61.79 60.51 3kpa h SER 37 Cb 0.19 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 3kpa h SER 37 CO -0.02 0.42 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.58 3kpa h LEU 38 N -0.07 -0.16 -0.42 2.23 3.38 -0.92 -1.36 115.31 117.99 3kpa h LEU 38 Ca 0.03 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.10 3kpa h LEU 38 Cb 0.32 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 3kpa h LEU 38 CO 0.00 -0.07 0.08 0.40 0.09 0.00 0.00 178.44 178.94 3kpa h ILE 39 N -0.06 0.77 -0.39 1.22 2.04 -1.16 0.70 117.51 120.64 3kpa h ILE 39 Ca 0.05 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3kpa h ILE 39 Cb 0.13 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3kpa h ILE 39 CO -0.11 0.04 0.21 0.74 0.00 0.00 0.00 178.15 179.03 3kpa h THR 40 N 0.21 1.15 -0.54 -0.27 2.02 -1.30 -0.07 112.91 114.11 3kpa h THR 40 Ca 0.20 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 67.02 3kpa h THR 40 Cb 0.25 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 3kpa h THR 40 CO -0.27 0.16 0.33 0.22 0.37 0.00 0.00 175.52 176.32 3kpa h TYR 41 N 0.49 0.61 -0.32 3.16 -0.00 -0.84 0.19 116.97 120.27 3kpa h TYR 41 Ca 0.14 0.02 -0.03 0.00 -0.00 0.00 0.00 58.73 58.86 3kpa h TYR 41 Cb 0.06 -0.20 -0.01 0.00 -0.00 0.00 0.00 36.73 36.58 3kpa h TYR 41 CO -0.02 0.35 0.10 0.28 -0.00 0.00 0.00 178.16 178.86 3kpa h VAL 42 N 0.65 1.21 -0.64 1.81 2.07 -0.60 -0.25 116.25 120.49 3kpa h VAL 42 Ca 0.22 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 67.10 3kpa h VAL 42 Cb 0.02 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 3kpa h VAL 42 CO -0.10 0.23 0.38 -0.33 0.02 0.00 0.00 177.57 177.77 3kpa h GLU 43 N 0.37 0.71 -0.69 1.57 5.08 -0.74 0.89 114.58 121.77 3kpa h GLU 43 Ca 0.10 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3kpa h GLU 43 Cb 0.26 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3kpa h GLU 43 CO -0.00 0.47 0.37 0.45 -1.00 0.00 0.00 179.01 179.30 3kpa h HIS 44 N 0.73 0.95 -0.70 4.33 3.86 -0.79 -1.36 115.15 122.19 3kpa h HIS 44 Ca 0.27 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.42 3kpa h HIS 44 Cb 0.07 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.21 3kpa h HIS 44 CO -0.06 0.68 0.33 -0.91 0.86 0.00 0.00 177.93 178.83 3kpa h ASN 45 N 0.95 0.92 -0.33 2.45 2.35 -0.39 -2.64 115.58 118.89 3kpa h ASN 45 Ca 0.24 -0.14 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 3kpa h ASN 45 Cb 0.05 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3kpa h ASN 45 CO -0.04 0.80 -0.05 0.11 -1.65 0.00 0.00 177.43 176.60 3kpa h LYS 46 N 0.97 0.72 0.00 0.81 1.57 -0.39 0.34 116.57 120.59 3kpa h LYS 46 Ca 0.24 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3kpa h LYS 46 Cb 0.13 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 3kpa h LYS 46 CO -0.03 0.77 -0.09 0.00 -0.57 0.00 0.00 179.45 179.54 3kpa h ALA 47 N 1.27 0.97 -0.65 3.86 0.00 -1.06 -2.26 119.26 121.39 3kpa h ALA 47 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kpa h ALA 47 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3kpa h ALA 47 CO 0.03 0.11 0.00 -1.13 0.00 0.00 0.00 179.25 178.25 3kpa n SER 48 N -3.15 4.44 -3.99 0.00 3.41 -1.01 -4.96 113.62 108.34 3kpa n SER 48 Ca 0.02 -2.32 -0.26 0.00 -0.26 0.00 0.00 58.87 56.05 3kpa n SER 48 Cb 0.47 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 63.85 3kpa n SER 48 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3kpa n ASP 49 N 1.18 -0.14 -1.03 4.04 4.64 -0.83 -4.89 116.55 119.52 3kpa n ASP 49 Ca 0.25 -1.04 0.05 0.00 -1.38 0.00 0.00 54.79 52.66 3kpa n ASP 49 Cb 0.80 -2.88 0.09 0.00 -1.04 0.00 0.00 41.12 38.08 3kpa n ASP 49 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 3kpa n SER 50 N -2.98 1.24 -4.70 1.67 3.41 0.11 -5.02 113.62 107.37 3kpa n SER 50 Ca -0.32 -2.73 -0.42 0.00 -0.26 0.00 0.00 58.87 55.14 3kpa n SER 50 Cb 0.69 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 3kpa n SER 50 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3kpa s HIS 51 N -1.29 2.60 -0.00 7.33 5.04 -1.18 -4.83 115.29 122.95 3kpa s HIS 51 Ca 0.33 0.40 0.00 0.00 -1.54 0.00 0.00 55.06 54.25 3kpa s HIS 51 Cb 0.35 -3.96 0.00 0.00 0.04 0.00 0.00 32.58 29.01 3kpa s HIS 51 CO -0.11 -3.77 0.58 -2.67 -2.34 0.00 0.00 174.74 166.44 3kpa n TRP 52 N 5.12 0.00 -3.49 3.88 4.27 -1.26 -4.99 117.44 120.97 3kpa n TRP 52 Ca 0.15 -0.05 -0.14 0.00 -3.89 0.00 0.00 57.50 53.56 3kpa n TRP 52 Cb 0.40 -0.01 -0.04 0.00 -1.36 0.00 0.00 31.31 30.30 3kpa n TRP 52 CO 0.00 0.00 0.00 -0.59 -2.29 0.00 0.00 177.69 174.81 3kpa s PHE 53 N -0.11 -0.57 -0.07 -2.67 -0.12 -1.26 -1.17 117.98 112.01 3kpa s PHE 53 Ca 0.00 0.73 0.00 0.00 -0.05 0.00 0.00 56.93 57.62 3kpa s PHE 53 Cb 0.00 0.48 0.02 0.00 -0.63 0.00 0.00 43.02 42.89 3kpa s PHE 53 CO 0.00 -0.66 -0.05 -1.58 -0.05 0.00 0.00 175.22 172.88 3kpa s HIS 54 N -2.21 1.03 -0.03 3.49 2.46 -0.02 -4.99 115.29 115.02 3kpa s HIS 54 Ca -0.05 -0.39 0.06 0.00 0.47 0.00 0.00 55.06 55.15 3kpa s HIS 54 Cb -0.00 -0.92 -0.01 0.00 -0.13 0.00 0.00 32.58 31.51 3kpa s HIS 54 CO -0.00 -0.33 -0.21 -0.51 -2.47 0.00 0.00 174.74 171.22 3kpa s LEU 55 N 1.41 2.02 0.38 8.88 1.43 -1.26 -1.82 118.68 129.73 3kpa s LEU 55 Ca -0.02 -0.39 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 3kpa s LEU 55 Cb -0.13 -1.10 -0.07 0.00 0.03 0.00 0.00 46.19 44.91 3kpa s LEU 55 CO -0.03 0.24 0.00 -1.61 0.23 0.00 0.00 176.35 175.18 3kpa s GLU 56 N -0.36 1.87 0.22 1.70 2.02 -0.25 -5.00 118.70 118.90 3kpa s GLU 56 Ca 0.04 -2.04 -0.09 0.00 0.02 0.00 0.00 54.97 52.90 3kpa s GLU 56 Cb -0.09 -1.48 -0.01 0.00 0.10 0.00 0.00 34.13 32.64 3kpa s GLU 56 CO 0.00 -0.05 0.35 -1.54 0.02 0.00 0.00 175.26 174.05 3kpa s SER 57 N -3.65 -0.01 1.06 -0.19 1.04 -1.26 -1.20 113.70 109.49 3kpa s SER 57 Ca 0.35 -1.04 -0.12 0.00 0.48 0.00 0.00 55.95 55.62 3kpa s SER 57 Cb 0.09 0.51 0.22 0.00 0.10 0.00 0.00 66.02 66.94 3kpa s SER 57 CO 0.17 -1.02 1.07 0.54 0.98 0.00 0.00 173.24 174.98 3kpa s ASN 58 N -3.05 1.97 0.48 7.02 2.20 -0.74 -4.92 114.94 117.91 3kpa s ASN 58 Ca 0.26 1.51 0.15 0.00 -0.94 0.00 0.00 52.86 53.83 3kpa s ASN 58 Cb 0.02 -2.20 1.13 0.00 -2.00 0.00 0.00 41.25 38.20 3kpa s ASN 58 CO 0.08 -3.58 2.08 -0.65 -2.94 0.00 0.00 177.10 172.09 3kpa h PRO 59 N -2.20 0.05 0.00 3.55 0.11 -2.02 -2.46 132.00 129.03 3kpa h PRO 59 Ca -0.56 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.55 3kpa h PRO 59 Cb 1.32 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3kpa h PRO 59 CO 0.52 0.10 0.00 1.04 -0.21 0.00 0.00 178.00 179.45 3kpa n GLN 60 N -4.45 0.15 -1.11 1.05 3.00 -1.26 -4.90 117.38 109.85 3kpa n GLN 60 Ca -0.02 0.22 -0.04 0.00 -0.01 0.00 0.00 57.00 57.15 3kpa n GLN 60 Cb 0.15 -1.71 -0.02 0.00 0.00 0.00 0.00 30.24 28.66 3kpa n GLN 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kpa n GLY 61 N 0.87 0.67 0.01 1.08 0.00 -0.93 -4.91 105.19 101.98 3kpa n GLY 61 Ca 0.05 -0.55 0.09 0.00 0.00 0.00 0.00 46.02 45.61 3kpa n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kpa n THR 62 N -2.81 0.00 -4.56 2.61 -2.24 -1.26 -4.77 114.28 101.25 3kpa n THR 62 Ca -0.04 -0.42 -0.31 0.00 -2.27 0.00 0.00 64.05 61.01 3kpa n THR 62 Cb 0.17 0.09 -0.17 0.00 -2.10 0.00 0.00 70.33 68.32 3kpa n THR 62 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kpa s ARG 63 N -3.30 2.67 0.09 -0.78 1.81 -1.26 -0.27 118.95 117.90 3kpa s ARG 63 Ca -0.07 -0.72 0.10 0.00 -1.72 0.00 0.00 55.73 53.32 3kpa s ARG 63 Cb 0.12 -2.20 -0.04 0.00 -0.45 0.00 0.00 34.95 32.39 3kpa s ARG 63 CO 0.78 -0.04 -0.25 -1.58 -0.68 0.00 0.00 175.30 173.54 3kpa s TRP 64 N 0.91 2.37 0.05 -0.53 0.52 0.11 -1.79 118.94 120.57 3kpa s TRP 64 Ca -0.06 -0.36 -0.22 0.00 0.02 0.00 0.00 56.10 55.47 3kpa s TRP 64 Cb -0.15 -1.33 0.05 0.00 -1.15 0.00 0.00 33.47 30.89 3kpa s TRP 64 CO -0.02 0.26 0.52 1.52 0.02 0.00 0.00 176.95 179.25 3kpa s TYR 65 N -0.97 -0.42 -1.60 -1.98 -0.85 -0.34 -1.50 117.35 109.69 3kpa s TYR 65 Ca 0.14 0.47 0.00 0.00 -0.52 0.00 0.00 57.07 57.16 3kpa s TYR 65 Cb -0.10 0.34 0.00 0.00 0.38 0.00 0.00 41.96 42.58 3kpa s TYR 65 CO 0.05 -0.64 0.00 0.41 -1.52 0.00 0.00 175.55 173.85 3kpa n GLY 66 N 0.41 -0.61 3.18 5.49 0.00 -1.26 -1.10 105.19 111.30 3kpa n GLY 66 Ca -0.18 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 3kpa n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kpa s THR 67 N -4.00 0.76 0.09 2.61 -4.23 -0.75 -4.43 115.64 105.69 3kpa s THR 67 Ca 0.00 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 58.58 3kpa s THR 67 Cb 0.00 -1.72 -0.04 0.00 1.34 0.00 0.00 72.50 72.08 3kpa s THR 67 CO 0.00 -0.84 -0.08 0.00 -0.54 0.00 0.00 174.62 173.16 3kpa s TRP 69 N -2.87 0.17 0.02 0.00 -2.14 -0.32 -1.07 118.94 112.73 3kpa s TRP 69 Ca 0.06 -0.55 -0.06 0.00 2.66 0.00 0.00 56.10 58.21 3kpa s TRP 69 Cb 0.00 0.02 -0.01 0.00 -3.10 0.00 0.00 33.47 30.38 3kpa s TRP 69 CO -0.02 -0.66 0.10 0.99 -2.66 0.00 0.00 176.95 174.70 3kpa s THR 70 N -3.89 0.11 -0.10 0.66 2.01 -0.51 -4.80 115.64 109.12 3kpa s THR 70 Ca 0.09 -0.87 -0.04 0.00 0.31 0.00 0.00 61.69 61.18 3kpa s THR 70 Cb 0.03 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 3kpa s THR 70 CO -0.07 -0.48 0.06 -0.31 -0.69 0.00 0.00 174.62 173.14 3kpa s TYR 71 N -1.85 3.35 -0.12 4.92 2.02 -1.26 -1.11 117.35 123.30 3kpa s TYR 71 Ca -0.11 0.33 -0.06 0.00 -0.37 0.00 0.00 57.07 56.87 3kpa s TYR 71 Cb -0.06 -1.85 0.05 0.00 -0.40 0.00 0.00 41.96 39.71 3kpa s TYR 71 CO -0.01 0.59 0.27 -0.47 -1.57 0.00 0.00 175.55 174.36 3kpa s TYR 72 N -0.96 -0.40 -1.38 2.71 5.04 -0.27 -4.85 117.35 117.25 3kpa s TYR 72 Ca 0.14 0.91 -0.07 0.00 -2.44 0.00 0.00 57.07 55.61 3kpa s TYR 72 Cb -0.12 0.06 0.05 0.00 0.35 0.00 0.00 41.96 42.30 3kpa s TYR 72 CO 0.03 -0.28 0.53 1.63 -1.34 0.00 0.00 175.55 176.12 3kpa n LYS 73 N 4.56 -3.97 -1.21 4.97 4.76 -1.26 -1.32 118.16 124.69 3kpa n LYS 73 Ca -0.20 0.64 -0.07 0.00 -2.87 0.00 0.00 58.31 55.81 3kpa n LYS 73 Cb 0.52 -5.41 -0.03 0.00 -1.84 0.00 0.00 35.03 28.27 3kpa n LYS 73 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3kpa n ASN 74 N -2.37 -3.92 -4.21 4.39 0.23 -1.26 -5.04 115.26 103.08 3kpa n ASN 74 Ca -0.05 0.18 -0.26 0.00 -0.53 0.00 0.00 54.58 53.92 3kpa n ASN 74 Cb 0.57 -2.05 -0.15 0.00 -2.08 0.00 0.00 39.78 36.07 3kpa n ASN 74 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3kpa s GLU 75 N -2.56 1.46 -0.03 -3.83 2.02 -0.44 -5.11 118.70 110.22 3kpa s GLU 75 Ca 0.00 -0.78 -0.23 0.00 0.02 0.00 0.00 54.97 53.98 3kpa s GLU 75 Cb 0.00 -1.47 -0.05 0.00 0.10 0.00 0.00 34.13 32.71 3kpa s GLU 75 CO 0.00 0.39 0.68 0.21 0.02 0.00 0.00 175.26 176.56 3kpa s LYS 76 N -0.75 4.42 -0.18 1.61 2.20 -1.26 -1.11 119.74 124.66 3kpa s LYS 76 Ca 0.07 0.87 0.01 0.00 -0.36 0.00 0.00 55.97 56.56 3kpa s LYS 76 Cb -0.08 -3.40 0.03 0.00 -1.51 0.00 0.00 37.83 32.87 3kpa s LYS 76 CO 0.00 0.19 -0.13 0.71 -0.36 0.00 0.00 175.35 175.77 3kpa s TYR 77 N 0.35 2.40 0.01 4.03 2.02 -0.26 -4.89 117.35 121.00 3kpa s TYR 77 Ca 0.36 -1.50 0.06 0.00 -0.37 0.00 0.00 57.07 55.62 3kpa s TYR 77 Cb -0.18 -1.66 -0.03 0.00 -0.40 0.00 0.00 41.96 39.68 3kpa s TYR 77 CO 0.19 -0.73 -0.18 -2.00 -1.57 0.00 0.00 175.55 171.26 3kpa s GLU 78 N 1.41 2.18 -0.00 -0.62 2.12 -1.26 -1.42 118.70 121.10 3kpa s GLU 78 Ca 0.01 -0.91 0.01 0.00 0.36 0.00 0.00 54.97 54.45 3kpa s GLU 78 Cb -0.15 -2.22 -0.00 0.00 0.26 0.00 0.00 34.13 32.02 3kpa s GLU 78 CO -0.09 0.56 -0.04 -0.06 -0.54 0.00 0.00 175.26 175.09 3kpa s PHE 79 N -0.85 0.36 1.13 5.30 0.40 -0.23 -5.01 117.98 119.08 3kpa s PHE 79 Ca 0.13 -0.09 -0.15 0.00 -0.60 0.00 0.00 56.93 56.22 3kpa s PHE 79 Cb -0.10 -0.23 0.25 0.00 0.51 0.00 0.00 43.02 43.44 3kpa s PHE 79 CO 0.04 -0.01 1.08 -1.21 0.70 0.00 0.00 175.22 175.81 3kpa s GLU 80 N -0.16 -0.60 0.00 0.44 0.41 -1.26 -1.91 118.70 115.62 3kpa s GLU 80 Ca 0.01 0.31 0.00 0.00 -0.41 0.00 0.00 54.97 54.88 3kpa s GLU 80 Cb -0.02 -1.64 0.00 0.00 -1.78 0.00 0.00 34.13 30.70 3kpa s GLU 80 CO -0.00 -3.37 0.00 0.27 -0.49 0.00 0.00 175.26 171.66 3kpa n ASN 82 N -4.59 0.00 -3.56 -0.19 0.23 -0.83 -4.25 115.26 102.06 3kpa n ASN 82 Ca 0.08 0.00 -0.17 0.00 -0.53 0.00 0.00 54.58 53.96 3kpa n ASN 82 Cb 0.58 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.21 3kpa n ASN 82 CO 0.00 0.00 0.00 0.72 -0.93 0.00 0.00 177.26 177.05 3kpa s PHE 83 N -2.00 -0.68 0.14 -2.53 -0.71 -0.56 -0.96 117.98 110.68 3kpa s PHE 83 Ca 0.00 1.33 0.02 0.00 -1.04 0.00 0.00 56.93 57.23 3kpa s PHE 83 Cb 0.00 0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 42.13 3kpa s PHE 83 CO 0.00 -0.53 0.29 -0.51 -1.34 0.00 0.00 175.22 173.13 3kpa s ASP 84 N -0.72 6.35 -0.35 1.98 1.11 -1.26 0.05 116.67 123.82 3kpa s ASP 84 Ca -0.08 0.22 -0.18 0.00 0.18 0.00 0.00 52.55 52.69 3kpa s ASP 84 Cb -0.02 -1.93 -0.00 0.00 1.07 0.00 0.00 42.92 42.04 3kpa s ASP 84 CO 0.07 0.06 0.51 -0.63 1.18 0.00 0.00 175.17 176.35 3kpa s ILE 85 N -1.72 5.02 0.58 0.77 -1.09 0.63 -4.40 121.20 120.99 3kpa s ILE 85 Ca 0.35 0.29 -0.19 0.00 -2.23 0.00 0.00 60.65 58.88 3kpa s ILE 85 Cb -0.11 -3.96 -0.06 0.00 -1.58 0.00 0.00 42.46 36.74 3kpa s ILE 85 CO 0.28 -0.23 0.91 -2.65 -1.23 0.00 0.00 174.94 172.03 3kpa n PRO 86 N 5.73 0.88 0.28 2.79 -0.02 -1.26 -4.90 135.00 138.50 3kpa n PRO 86 Ca -0.05 0.34 0.14 0.00 -2.02 0.00 0.00 63.50 61.91 3kpa n PRO 86 Cb 0.49 -2.09 0.82 0.00 -0.02 0.00 0.00 33.50 32.70 3kpa n PRO 86 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3kpa h VAL 87 N 0.54 0.55 -0.49 -1.45 3.04 -1.96 -1.55 116.25 114.92 3kpa h VAL 87 Ca -0.48 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 64.94 3kpa h VAL 87 Cb 1.37 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 3kpa h VAL 87 CO 0.51 0.06 0.00 0.35 -1.01 0.00 0.00 177.57 177.48 3kpa n THR 88 N -3.75 0.65 -1.66 3.17 -2.24 -1.26 -4.42 114.28 104.77 3kpa n THR 88 Ca -0.02 -0.69 -0.41 0.00 -2.27 0.00 0.00 64.05 60.65 3kpa n THR 88 Cb 0.16 0.42 0.01 0.00 -2.10 0.00 0.00 70.33 68.82 3kpa n THR 88 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kpa n TYR 89 N 1.05 1.71 1.31 4.78 4.19 -0.58 -1.66 117.16 127.96 3kpa n TYR 89 Ca 0.18 0.54 0.11 0.00 3.31 0.00 0.00 57.90 62.04 3kpa n TYR 89 Cb 0.46 -2.31 0.42 0.00 0.49 0.00 0.00 39.34 38.39 3kpa n TYR 89 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3kpa n PRO 90 N 0.14 1.69 -0.06 2.98 -0.04 -1.26 -3.09 135.00 135.36 3kpa n PRO 90 Ca 0.08 -1.03 -0.10 0.00 -0.04 0.00 0.00 63.50 62.41 3kpa n PRO 90 Cb 0.39 -1.41 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 3kpa n PRO 90 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3kpa h GLN 91 N 2.15 0.33 -5.22 0.54 1.08 -1.73 -3.40 115.11 108.86 3kpa h GLN 91 Ca 0.00 -0.03 -0.61 0.00 -1.45 0.00 0.00 58.65 56.56 3kpa h GLN 91 Cb 0.47 -0.07 -0.13 0.00 -0.05 0.00 0.00 27.48 27.70 3kpa h GLN 91 CO 0.00 0.26 -0.39 0.00 -0.95 0.00 0.00 178.83 177.75 3kpa s ALA 92 N -6.01 3.60 0.56 3.87 0.00 -1.12 -4.85 121.76 117.81 3kpa s ALA 92 Ca -0.13 -0.74 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 3kpa s ALA 92 Cb 0.09 -2.43 -0.06 0.00 0.00 0.00 0.00 23.12 20.72 3kpa s ALA 92 CO 0.70 -0.21 1.02 -1.25 0.00 0.00 0.00 175.76 176.02 3kpa s PRO 93 N 1.10 3.67 0.77 0.00 0.04 -1.26 -3.93 135.00 135.38 3kpa s PRO 93 Ca 0.12 1.01 -0.11 0.00 0.04 0.00 0.00 61.00 62.06 3kpa s PRO 93 Cb -0.14 -2.09 0.06 0.00 0.04 0.00 0.00 34.50 32.37 3kpa s PRO 93 CO 0.05 -0.51 1.10 -1.25 0.04 0.00 0.00 177.00 176.43 3kpa s PRO 94 N -4.23 2.24 -0.24 0.56 0.04 -1.26 -4.86 135.00 127.26 3kpa s PRO 94 Ca 0.60 1.21 -0.09 0.00 0.04 0.00 0.00 61.00 62.76 3kpa s PRO 94 Cb -0.12 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 3kpa s PRO 94 CO 0.36 -1.66 0.13 -1.21 0.04 0.00 0.00 177.00 174.66 3kpa s GLU 95 N -4.81 3.94 -0.18 4.56 2.02 -1.26 -5.08 118.70 117.89 3kpa s GLU 95 Ca 0.62 -0.34 -0.14 0.00 0.02 0.00 0.00 54.97 55.13 3kpa s GLU 95 Cb -0.18 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 3kpa s GLU 95 CO 0.55 0.01 0.31 0.42 0.02 0.00 0.00 175.26 176.57 3kpa s ILE 96 N 1.15 5.28 -0.11 -1.63 1.01 -1.26 -4.45 121.20 121.19 3kpa s ILE 96 Ca 0.06 0.56 -0.04 0.00 0.00 0.00 0.00 60.65 61.23 3kpa s ILE 96 Cb -0.14 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 3kpa s ILE 96 CO 0.05 0.34 0.04 0.00 0.00 0.00 0.00 174.94 175.37 3kpa s ALA 97 N 0.80 3.44 -0.58 9.38 0.00 -0.14 -1.29 121.76 133.37 3kpa s ALA 97 Ca 0.16 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.41 3kpa s ALA 97 Cb -0.14 -1.67 0.16 0.00 0.00 0.00 0.00 23.12 21.48 3kpa s ALA 97 CO 0.05 0.53 0.40 -0.51 0.00 0.00 0.00 175.76 176.23 3kpa s LEU 98 N -0.70 3.76 0.51 0.00 1.02 -0.28 -1.97 118.68 121.01 3kpa s LEU 98 Ca 0.12 -3.41 0.15 0.00 0.02 0.00 0.00 54.13 51.01 3kpa s LEU 98 Cb -0.12 -1.30 1.22 0.00 0.02 0.00 0.00 46.19 46.01 3kpa s LEU 98 CO 0.02 -0.15 2.13 -0.65 0.02 0.00 0.00 176.35 177.73 3kpa h PRO 99 N 5.78 0.07 0.00 1.29 0.11 -1.77 -1.67 132.00 135.81 3kpa h PRO 99 Ca 0.12 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 3kpa h PRO 99 Cb 0.83 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 3kpa h PRO 99 CO 0.61 0.05 -0.01 0.93 -0.21 0.00 0.00 178.00 179.37 3kpa h GLU 100 N 0.07 0.00 -0.01 1.05 5.08 -1.95 -3.11 114.58 115.71 3kpa h GLU 100 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3kpa h GLU 100 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3kpa h GLU 100 CO -0.00 0.01 -0.37 1.28 -1.00 0.00 0.00 179.01 178.93 3kpa n LEU 101 N -3.19 1.45 -4.60 1.33 4.77 -0.63 -4.92 117.00 111.21 3kpa n LEU 101 Ca -0.02 -0.48 -0.49 0.00 -0.03 0.00 0.00 56.01 54.99 3kpa n LEU 101 Cb 0.12 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 3kpa n LEU 101 CO 0.23 0.27 0.85 -0.62 -1.33 0.00 0.00 177.39 176.79 3kpa n GLU 102 N -0.41 1.33 -0.41 3.23 1.02 -1.18 -0.94 120.64 123.29 3kpa n GLU 102 Ca 0.11 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 3kpa n GLU 102 Cb 0.40 -2.06 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 3kpa n GLU 102 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kpa n GLY 103 N 2.31 1.99 0.02 0.62 0.00 -1.26 -4.82 105.19 104.06 3kpa n GLY 103 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 3kpa n GLY 103 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kpa n LYS 104 N -2.00 0.22 -3.69 1.61 5.02 -0.11 -4.94 118.16 114.26 3kpa n LYS 104 Ca 0.00 -0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 3kpa n LYS 104 Cb 0.00 -1.57 -0.08 0.00 -0.02 0.00 0.00 35.03 33.36 3kpa n LYS 104 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3kpa s THR 105 N -3.16 0.04 -0.70 -0.18 -1.32 -1.25 -5.04 115.64 104.04 3kpa s THR 105 Ca 0.05 -0.31 0.26 0.00 -1.21 0.00 0.00 61.69 60.48 3kpa s THR 105 Cb 0.15 -0.71 0.28 0.00 -1.51 0.00 0.00 72.50 70.71 3kpa s THR 105 CO 0.80 -0.17 1.74 -0.37 -2.21 0.00 0.00 174.62 174.41 3kpa h VAL 106 N 3.69 0.00 -0.41 5.08 -1.51 -1.95 -3.48 116.25 117.67 3kpa h VAL 106 Ca -0.29 -0.53 -0.72 0.00 -1.23 0.00 0.00 66.70 63.93 3kpa h VAL 106 Cb 1.17 1.51 -0.07 0.00 -2.13 0.00 0.00 31.29 31.77 3kpa h VAL 106 CO 0.38 0.00 2.89 0.29 -1.23 0.00 0.00 177.57 179.90 3kpa n LYS 107 N -2.34 3.20 -3.83 5.19 4.76 -1.26 -4.97 118.16 118.90 3kpa n LYS 107 Ca 0.05 -2.84 -0.07 0.00 -2.87 0.00 0.00 58.31 52.58 3kpa n LYS 107 Cb 0.44 -3.12 -0.00 0.00 -1.84 0.00 0.00 35.03 30.50 3kpa n LYS 107 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 3kpa s TYR 109 N 2.19 -0.08 -0.02 2.13 -0.85 0.13 -1.27 117.35 119.59 3kpa s TYR 109 Ca 0.47 -0.43 -0.01 0.00 -0.52 0.00 0.00 57.07 56.58 3kpa s TYR 109 Cb 0.13 0.74 -0.00 0.00 0.38 0.00 0.00 41.96 43.21 3kpa s TYR 109 CO -0.06 -1.29 0.06 2.89 -1.52 0.00 0.00 175.55 175.62 3kpa n ARG 110 N -0.49 0.00 0.00 -3.49 1.85 -1.26 -1.88 116.66 111.38 3kpa n ARG 110 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 3kpa n ARG 110 Cb 0.59 -0.04 0.00 0.00 -1.05 0.00 0.00 32.46 31.97 3kpa n ARG 110 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kpa n GLY 111 N 0.17 1.16 2.34 2.89 0.00 -1.26 -4.27 105.19 106.22 3kpa n GLY 111 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 3kpa n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kpa n GLY 112 N -1.58 0.81 3.72 -0.02 0.00 -1.01 -4.70 105.19 102.41 3kpa n GLY 112 Ca 0.00 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 3kpa n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kpa s LYS 113 N -2.13 4.45 0.32 1.61 1.02 -0.79 -1.12 119.74 123.10 3kpa s LYS 113 Ca 0.00 1.76 -0.28 0.00 0.02 0.00 0.00 55.97 57.48 3kpa s LYS 113 Cb 0.00 -3.34 -0.09 0.00 -0.52 0.00 0.00 37.83 33.88 3kpa s LYS 113 CO 0.00 -0.22 1.08 0.96 -0.92 0.00 0.00 175.35 176.24 3kpa s ILE 114 N 0.92 3.58 0.39 2.17 -4.36 -0.41 0.20 121.20 123.68 3kpa s ILE 114 Ca 0.58 1.46 -0.04 0.00 -0.26 0.00 0.00 60.65 62.39 3kpa s ILE 114 Cb -0.29 -3.88 -0.04 0.00 1.25 0.00 0.00 42.46 39.49 3kpa s ILE 114 CO 0.30 0.25 0.66 0.00 0.24 0.00 0.00 174.94 176.39 3kpa s THR 117 N -2.43 4.78 0.42 0.00 -4.23 -1.26 -4.96 115.64 107.96 3kpa s THR 117 Ca 0.45 0.82 0.16 0.00 -1.18 0.00 0.00 61.69 61.95 3kpa s THR 117 Cb -0.10 -3.67 0.36 0.00 1.34 0.00 0.00 72.50 70.43 3kpa s THR 117 CO 0.37 -0.00 1.89 0.74 -0.54 0.00 0.00 174.62 177.09 3kpa h THR 118 N 2.27 0.75 0.00 3.99 2.02 -2.04 -2.06 112.91 117.84 3kpa h THR 118 Ca -0.48 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 3kpa h THR 118 Cb 1.18 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 3kpa h THR 118 CO 0.67 0.08 -0.12 0.45 0.37 0.00 0.00 175.52 176.96 3kpa h HIS 119 N 0.42 0.00 -0.35 3.16 3.86 -2.03 -3.27 115.15 116.94 3kpa h HIS 119 Ca 0.41 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.61 3kpa h HIS 119 Cb 0.96 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.42 3kpa h HIS 119 CO -0.00 0.12 0.20 0.35 0.86 0.00 0.00 177.93 179.45 3kpa h PHE 120 N 0.00 0.47 -0.09 2.45 3.57 -1.73 -3.15 116.94 118.46 3kpa h PHE 120 Ca -0.00 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3kpa h PHE 120 Cb 0.75 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 3kpa h PHE 120 CO 0.00 0.36 -0.08 0.74 -2.23 0.00 0.00 178.31 177.11 3kpa h PHE 121 N 0.44 0.26 -0.44 0.41 0.04 -1.72 -0.54 116.94 115.39 3kpa h PHE 121 Ca 0.12 -0.07 0.06 0.00 2.80 0.00 0.00 57.97 60.88 3kpa h PHE 121 Cb 0.04 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 3kpa h PHE 121 CO -0.03 0.63 0.30 -1.35 -0.60 0.00 0.00 178.31 177.26 3kpa h PRO 122 N -0.19 0.36 -0.22 1.51 0.11 -1.76 0.13 132.00 131.94 3kpa h PRO 122 Ca 0.02 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.99 3kpa h PRO 122 Cb 0.58 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 3kpa h PRO 122 CO 0.02 0.24 -0.30 1.25 -0.21 0.00 0.00 178.00 178.99 3kpa h LEU 123 N 0.37 0.65 0.39 2.35 5.85 -1.45 -2.91 115.31 120.55 3kpa h LEU 123 Ca 0.19 -0.51 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 3kpa h LEU 123 Cb 0.30 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3kpa h LEU 123 CO -0.05 1.03 -0.28 -0.25 -0.34 0.00 0.00 178.44 178.55 3kpa h TRP 124 N 0.28 -0.74 -0.98 1.25 2.91 -0.75 -3.07 115.95 114.84 3kpa h TRP 124 Ca 0.02 -0.00 0.15 0.00 1.13 0.00 0.00 58.89 60.19 3kpa h TRP 124 Cb 0.88 0.27 -0.09 0.00 -0.51 0.00 0.00 29.16 29.72 3kpa h TRP 124 CO 0.08 -0.42 0.62 0.00 -1.03 0.00 0.00 178.44 177.69 3kpa h ALA 125 N -0.13 1.64 -0.01 2.65 0.00 -0.98 -0.90 119.26 121.52 3kpa h ALA 125 Ca -0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kpa h ALA 125 Cb 0.57 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kpa h ALA 125 CO 0.01 0.08 -0.16 2.89 0.00 0.00 0.00 179.25 182.07 3kpa n ARG 126 N -4.65 1.08 -0.48 0.00 1.85 -1.10 -3.65 116.66 109.71 3kpa n ARG 126 Ca 0.20 -0.61 0.06 0.00 -1.00 0.00 0.00 57.85 56.50 3kpa n ARG 126 Cb 0.45 -1.49 0.24 0.00 -1.05 0.00 0.00 32.46 30.60 3kpa n ARG 126 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3kpa n ASN 127 N -0.43 3.45 -4.73 2.89 3.02 -0.37 -4.98 115.26 114.11 3kpa n ASN 127 Ca 0.15 -3.17 -0.41 0.00 -0.03 0.00 0.00 54.58 51.11 3kpa n ASN 127 Cb 0.34 -0.55 -0.04 0.00 -0.61 0.00 0.00 39.78 38.92 3kpa n ASN 127 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kpa s VAL 128 N -2.92 4.66 -0.69 2.41 1.01 -1.04 -0.33 120.40 123.49 3kpa s VAL 128 Ca 0.42 1.95 0.15 0.00 0.00 0.00 0.00 61.98 64.49 3kpa s VAL 128 Cb 0.35 -4.27 0.72 0.00 0.00 0.00 0.00 36.38 33.18 3kpa s VAL 128 CO 0.06 0.29 1.61 -0.81 0.00 0.00 0.00 175.10 176.25 3kpa n PRO 129 N 3.10 4.13 0.18 2.72 -0.04 -1.26 -4.97 135.00 138.86 3kpa n PRO 129 Ca 0.02 -2.79 0.13 0.00 -0.04 0.00 0.00 63.50 60.82 3kpa n PRO 129 Cb 0.50 -2.05 0.39 0.00 -0.04 0.00 0.00 33.50 32.30 3kpa n PRO 129 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3kpa h TYR 130 N 3.73 0.00 -2.99 0.54 0.05 -0.82 -3.41 116.97 114.07 3kpa h TYR 130 Ca 0.00 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 58.17 3kpa h TYR 130 Cb 1.65 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 39.34 3kpa h TYR 130 CO 0.88 0.00 -0.37 -0.06 -1.05 0.00 0.00 178.16 177.56 3kpa s PHE 131 N -3.27 3.55 0.00 4.88 0.40 -0.95 -1.16 117.98 121.42 3kpa s PHE 131 Ca 0.07 0.55 0.00 0.00 -0.60 0.00 0.00 56.93 56.95 3kpa s PHE 131 Cb 0.09 -1.98 0.00 0.00 0.51 0.00 0.00 43.02 41.64 3kpa s PHE 131 CO 0.58 0.56 0.00 0.41 0.70 0.00 0.00 175.22 177.47 3kpa n GLY 132 N 0.74 5.87 0.22 4.36 0.00 -1.26 -4.89 105.19 110.24 3kpa n GLY 132 Ca -0.08 -1.57 -0.04 0.00 0.00 0.00 0.00 46.02 44.33 3kpa n GLY 132 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kpa h ILE 133 N 0.00 0.98 -0.89 -0.61 2.04 -1.99 -0.15 117.51 116.88 3kpa h ILE 133 Ca 0.00 -0.20 0.18 0.00 1.00 0.00 0.00 64.86 65.84 3kpa h ILE 133 Cb 0.00 0.35 -0.11 0.00 -0.74 0.00 0.00 36.82 36.33 3kpa h ILE 133 CO 0.00 0.10 0.45 0.77 0.00 0.00 0.00 178.15 179.48 3kpa h SER 134 N 0.57 0.50 -0.20 1.72 4.64 -1.92 -0.85 113.55 118.02 3kpa h SER 134 Ca 0.24 0.11 -0.19 0.00 -0.47 0.00 0.00 61.79 61.49 3kpa h SER 134 Cb 0.13 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3kpa h SER 134 CO -0.15 0.15 -0.58 0.45 -0.87 0.00 0.00 176.83 175.83 3kpa h HIS 135 N 0.57 1.01 -0.62 4.77 3.86 -1.44 -1.06 115.15 122.24 3kpa h HIS 135 Ca 0.52 -0.37 0.08 0.00 -1.16 0.00 0.00 60.37 59.43 3kpa h HIS 135 Cb 0.84 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 29.07 3kpa h HIS 135 CO -0.09 1.18 0.29 0.28 0.86 0.00 0.00 177.93 180.45 3kpa h VAL 136 N 0.60 0.87 -0.44 2.45 2.07 -0.60 0.25 116.25 121.44 3kpa h VAL 136 Ca 0.00 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 3kpa h VAL 136 Cb 1.18 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3kpa h VAL 136 CO 0.12 0.10 -0.11 -0.07 0.02 0.00 0.00 177.57 177.63 3kpa h LEU 137 N 0.52 0.87 -0.03 2.57 3.38 -1.00 0.30 115.31 121.92 3kpa h LEU 137 Ca 0.29 -0.36 -0.26 0.00 0.09 0.00 0.00 57.88 57.64 3kpa h LEU 137 Cb 0.28 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 40.81 3kpa h LEU 137 CO -0.24 1.03 -1.01 0.00 0.09 0.00 0.00 178.44 178.31 3kpa h ALA 138 N 0.87 0.17 0.00 1.53 0.00 -0.77 0.21 119.26 121.26 3kpa h ALA 138 Ca 0.11 -0.69 -0.23 0.00 0.00 0.00 0.00 54.91 54.11 3kpa h ALA 138 Cb 0.65 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3kpa h ALA 138 CO 0.04 0.70 -1.93 1.28 0.00 0.00 0.00 179.25 179.34 3kpa n LEU 139 N -3.86 0.37 -0.03 0.00 4.77 0.83 -4.37 117.00 114.72 3kpa n LEU 139 Ca -0.10 0.16 -0.03 0.00 -0.03 0.00 0.00 56.01 56.01 3kpa n LEU 139 Cb 0.87 0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 42.18 3kpa n LEU 139 CO 0.55 0.28 -0.22 0.61 -1.33 0.00 0.00 177.39 177.28 3kpa n GLY 140 N 1.52 -0.50 0.18 -0.72 0.00 0.99 -4.57 105.19 102.10 3kpa n GLY 140 Ca -0.18 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 3kpa n GLY 140 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kpa h LEU 141 N -0.33 0.67 0.24 0.99 5.85 -1.22 -2.87 115.31 118.65 3kpa h LEU 141 Ca 0.00 -0.59 0.01 0.00 0.84 0.00 0.00 57.88 58.14 3kpa h LEU 141 Cb 0.33 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3kpa h LEU 141 CO 0.00 1.14 -0.42 1.23 -0.34 0.00 0.00 178.44 180.05 3kpa h GLY 142 N 0.23 -0.91 0.97 3.75 0.00 -0.80 -0.95 103.07 105.35 3kpa h GLY 142 Ca -0.01 0.49 0.02 0.00 0.00 0.00 0.00 47.33 47.83 3kpa h GLY 142 CO 0.10 -0.29 0.58 -2.55 0.00 0.00 0.00 176.54 174.37 3kpa h PRO 143 N -0.73 1.13 -0.39 4.80 0.11 -1.76 -2.24 132.00 132.92 3kpa h PRO 143 Ca -0.00 -0.07 0.06 0.00 0.11 0.00 0.00 66.00 66.10 3kpa h PRO 143 Cb 0.71 -0.25 -0.05 0.00 0.11 0.00 0.00 31.00 31.51 3kpa h PRO 143 CO -0.17 0.75 0.08 2.35 -0.21 0.00 0.00 178.00 180.80 3kpa h TRP 144 N 1.16 0.13 -0.53 0.65 7.01 -1.25 -2.21 115.95 120.90 3kpa h TRP 144 Ca 0.33 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.38 3kpa h TRP 144 Cb -0.10 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 26.93 3kpa h TRP 144 CO -0.01 0.02 0.32 -0.07 -2.79 0.00 0.00 178.44 175.90 3kpa h LEU 145 N 0.20 0.51 -1.90 0.65 3.38 -0.92 -1.67 115.31 115.57 3kpa h LEU 145 Ca 0.19 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 3kpa h LEU 145 Cb 0.22 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3kpa h LEU 145 CO -0.24 0.36 -0.12 0.28 0.09 0.00 0.00 178.44 178.80 3kpa h SER 146 N 0.63 0.00 0.04 -0.43 0.02 -0.82 -1.95 113.55 111.05 3kpa h SER 146 Ca 0.22 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.80 3kpa h SER 146 Cb 0.03 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 3kpa h SER 146 CO -0.10 0.12 -2.09 0.00 -1.14 0.00 0.00 176.83 173.63 3kpa n ILE 147 N -3.91 1.61 0.10 3.27 3.06 -0.96 -4.57 119.36 117.96 3kpa n ILE 147 Ca -0.02 -0.47 -0.23 0.00 -2.50 0.00 0.00 62.75 59.53 3kpa n ILE 147 Cb 0.22 -1.73 -0.15 0.00 0.54 0.00 0.00 39.64 38.51 3kpa n ILE 147 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 3kpa h GLU 148 N -0.34 0.43 -0.52 9.51 4.39 -1.27 -3.32 114.58 123.47 3kpa h GLU 148 Ca -0.50 -0.74 0.04 0.00 0.34 0.00 0.00 59.36 58.50 3kpa h GLU 148 Cb 1.79 0.28 -0.04 0.00 -0.10 0.00 0.00 28.75 30.67 3kpa h GLU 148 CO -0.11 1.35 0.28 0.28 -1.16 0.00 0.00 179.01 179.66 3kpa h VAL 149 N -0.01 0.99 -0.99 3.13 2.07 -1.56 -1.65 116.25 118.23 3kpa h VAL 149 Ca -0.26 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.14 3kpa h VAL 149 Cb 2.02 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 32.11 3kpa h VAL 149 CO 0.21 0.10 0.64 -0.65 0.02 0.00 0.00 177.57 177.89 3kpa h PRO 150 N 0.55 1.10 0.00 1.57 0.11 -1.77 0.70 132.00 134.26 3kpa h PRO 150 Ca 0.22 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3kpa h PRO 150 Cb 0.10 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 30.96 3kpa h PRO 150 CO -0.13 0.73 0.00 0.00 -0.21 0.00 0.00 178.00 178.38 3kpa n ALA 151 N -2.37 1.13 0.00 -0.75 0.00 -0.62 -1.24 120.51 116.66 3kpa n ALA 151 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3kpa n ALA 151 Cb 0.21 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3kpa n ALA 151 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kpa n VAL 153 N -0.17 0.00 0.07 0.00 0.31 0.24 -0.25 118.33 118.52 3kpa n VAL 153 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 3kpa n VAL 153 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 3kpa n VAL 153 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3kpa h GLU 154 N 0.00 0.32 0.00 5.55 4.57 -1.41 -3.15 114.58 120.47 3kpa h GLU 154 Ca 0.00 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 3kpa h GLU 154 Cb 0.00 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 3kpa h GLU 154 CO 0.00 1.01 0.00 0.93 -1.18 0.00 0.00 179.01 179.77 3kpa h GLU 155 N 0.19 0.00 0.00 1.92 5.08 -0.87 -3.47 114.58 117.44 3kpa h GLU 155 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3kpa h GLU 155 Cb 1.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.72 3kpa h GLU 155 CO 0.14 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.56 3kpa n GLY 156 N 0.14 1.03 0.11 -3.84 0.00 -1.19 -4.97 105.19 96.47 3kpa n GLY 156 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 3kpa n GLY 156 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kpa h TYR 157 N 0.00 0.00 -4.29 1.61 0.05 -1.91 -3.46 116.97 108.97 3kpa h TYR 157 Ca 0.00 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.25 3kpa h TYR 157 Cb 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 36.73 37.45 3kpa h TYR 157 CO 0.00 0.00 -0.83 -0.51 -1.05 0.00 0.00 178.16 175.77 3kpa s LEU 158 N -4.73 2.04 0.15 3.88 1.43 -1.26 -5.00 118.68 115.19 3kpa s LEU 158 Ca 0.07 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 3kpa s LEU 158 Cb 0.11 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 3kpa s LEU 158 CO 0.67 0.20 0.01 -1.59 0.23 0.00 0.00 176.35 175.87 3kpa s LYS 159 N -0.44 1.00 0.00 1.70 -2.85 -1.26 -4.65 119.74 113.24 3kpa s LYS 159 Ca 0.06 -1.47 0.00 0.00 -1.00 0.00 0.00 55.97 53.56 3kpa s LYS 159 Cb -0.07 -0.11 0.00 0.00 -2.06 0.00 0.00 37.83 35.60 3kpa s LYS 159 CO -0.01 -0.15 0.00 -2.30 0.10 0.00 0.00 175.35 173.00