#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 1.45 -0.40 2.46 2.07 -1.99 -2.11 116.25 117.74 3kpa h VAL 5 Ca 0.00 -1.99 -0.08 0.00 0.82 0.00 0.00 66.70 65.45 3kpa h VAL 5 Cb 0.00 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 3kpa h VAL 5 CO 0.00 0.57 -0.07 0.50 0.02 0.00 0.00 177.57 178.60 3kpa h LYS 6 N -0.20 0.68 0.00 1.57 1.63 -2.00 -1.85 116.57 116.40 3kpa h LYS 6 Ca -0.06 -0.19 -0.00 0.00 -0.85 0.00 0.00 60.65 59.55 3kpa h LYS 6 Cb 1.19 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 3kpa h LYS 6 CO 0.09 0.74 -0.00 0.93 -3.45 0.00 0.00 179.45 177.76 3kpa h GLU 7 N 0.63 -0.00 -0.53 1.90 4.39 -2.02 -3.31 114.58 115.63 3kpa h GLU 7 Ca 0.12 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.78 3kpa h GLU 7 Cb 0.49 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 3kpa h GLU 7 CO 0.03 0.31 0.18 1.03 -1.16 0.00 0.00 179.01 179.39 3kpa h SER 8 N -0.31 0.76 0.38 1.42 0.87 -1.23 -3.16 113.55 112.27 3kpa h SER 8 Ca -0.00 -0.20 -0.05 0.00 -1.23 0.00 0.00 61.79 60.32 3kpa h SER 8 Cb 0.31 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3kpa h SER 8 CO 0.00 0.75 -0.23 0.58 -0.53 0.00 0.00 176.83 177.41 3kpa h VAL 9 N 0.72 0.91 0.00 2.23 2.07 -1.45 -2.17 116.25 118.56 3kpa h VAL 9 Ca 0.17 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 3kpa h VAL 9 Cb 0.26 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3kpa h VAL 9 CO -0.01 0.22 -0.08 0.28 0.02 0.00 0.00 177.57 178.00 3kpa h SER 10 N 0.00 0.00 0.21 0.57 0.02 -1.63 -3.11 113.55 109.61 3kpa h SER 10 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kpa h SER 10 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 3kpa h SER 10 CO 0.03 0.08 -0.26 0.54 -1.14 0.00 0.00 176.83 176.08 3kpa n ARG 11 N -3.14 0.88 -2.70 3.45 1.74 -0.83 -4.82 116.66 111.24 3kpa n ARG 11 Ca 0.03 -0.54 -0.42 0.00 -0.77 0.00 0.00 57.85 56.15 3kpa n ARG 11 Cb 0.49 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 3kpa n ARG 11 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kpa s ILE 12 N -2.49 4.83 0.18 0.55 1.01 -1.14 -4.84 121.20 119.30 3kpa s ILE 12 Ca 0.24 2.05 -0.31 0.00 0.00 0.00 0.00 60.65 62.64 3kpa s ILE 12 Cb 0.19 -4.32 -0.09 0.00 0.01 0.00 0.00 42.46 38.26 3kpa s ILE 12 CO 0.52 0.08 1.38 -2.84 0.00 0.00 0.00 174.94 174.08 3kpa s PRO 13 N 1.53 4.33 0.66 2.79 0.02 -1.26 -5.01 135.00 138.06 3kpa s PRO 13 Ca 0.50 2.14 -0.16 0.00 0.02 0.00 0.00 61.00 63.51 3kpa s PRO 13 Cb -0.20 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.14 3kpa s PRO 13 CO 0.23 -0.38 1.14 -0.51 -0.33 0.00 0.00 177.00 177.15 3kpa s LEU 14 N 0.31 3.42 0.58 -5.54 1.43 -1.26 -4.71 118.68 112.90 3kpa s LEU 14 Ca 0.61 2.11 0.09 0.00 -1.03 0.00 0.00 54.13 55.90 3kpa s LEU 14 Cb -0.38 -4.56 0.08 0.00 0.03 0.00 0.00 46.19 41.35 3kpa s LEU 14 CO 0.36 -1.73 0.69 -0.76 0.23 0.00 0.00 176.35 175.14 3kpa s LEU 15 N -4.80 2.95 0.00 1.79 1.02 -0.04 -4.97 118.68 114.62 3kpa s LEU 15 Ca 0.69 -0.99 0.00 0.00 0.02 0.00 0.00 54.13 53.85 3kpa s LEU 15 Cb -0.23 -1.44 0.00 0.00 0.02 0.00 0.00 46.19 44.54 3kpa s LEU 15 CO 0.41 -1.31 0.00 1.17 0.02 0.00 0.00 176.35 176.63 3kpa n LYS 16 N -2.13 0.00 -2.47 1.70 4.81 -1.26 -4.11 118.16 114.70 3kpa n LYS 16 Ca 0.11 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.14 3kpa n LYS 16 Cb 0.62 -0.20 -0.04 0.00 0.02 0.00 0.00 35.03 35.43 3kpa n LYS 16 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3kpa s THR 17 N -1.86 3.68 -0.96 3.15 2.01 -1.26 -4.86 115.64 115.53 3kpa s THR 17 Ca 0.00 1.50 -0.09 0.00 0.31 0.00 0.00 61.69 63.41 3kpa s THR 17 Cb 0.00 -3.96 0.24 0.00 0.01 0.00 0.00 72.50 68.80 3kpa s THR 17 CO 0.00 0.28 0.92 -0.75 -0.69 0.00 0.00 174.62 174.38 3kpa s LYS 18 N -0.66 3.79 -0.00 4.92 2.47 -1.26 -4.90 119.74 124.10 3kpa s LYS 18 Ca 0.49 -2.94 0.01 0.00 -1.56 0.00 0.00 55.97 51.96 3kpa s LYS 18 Cb -0.31 -4.39 -0.00 0.00 -1.46 0.00 0.00 37.83 31.67 3kpa s LYS 18 CO 0.37 -1.26 -0.02 0.00 0.16 0.00 0.00 175.35 174.60 3kpa s ALA 19 N -0.74 0.18 0.55 3.13 0.00 -1.26 -4.97 121.76 118.66 3kpa s ALA 19 Ca 0.25 -0.11 0.09 0.00 0.00 0.00 0.00 51.96 52.19 3kpa s ALA 19 Cb -0.10 -0.04 0.07 0.00 0.00 0.00 0.00 23.12 23.05 3kpa s ALA 19 CO -0.09 0.04 0.73 0.20 0.00 0.00 0.00 175.76 176.65 3kpa s GLY 20 N -0.10 1.80 0.41 0.00 0.00 -1.15 -4.23 107.32 104.05 3kpa s GLY 20 Ca 0.00 -2.03 0.23 0.00 0.00 0.00 0.00 44.72 42.92 3kpa s GLY 20 CO -0.00 -1.68 1.70 -2.55 0.00 0.00 0.00 173.10 170.56 3kpa h PRO 21 N 0.28 0.25 -0.09 2.90 0.11 -1.81 -2.59 132.00 131.05 3kpa h PRO 21 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3kpa h PRO 21 Cb 1.29 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kpa h PRO 21 CO 0.43 0.16 0.00 0.54 -0.21 0.00 0.00 178.00 178.92 3kpa n ARG 22 N -4.70 2.19 0.26 1.05 1.74 -1.26 -4.42 116.66 111.51 3kpa n ARG 22 Ca 0.31 -1.74 0.15 0.00 -0.77 0.00 0.00 57.85 55.80 3kpa n ARG 22 Cb 1.12 -1.47 0.56 0.00 -1.02 0.00 0.00 32.46 31.65 3kpa n ARG 22 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3kpa h ASP 23 N 4.05 0.00 0.00 0.55 5.19 -1.86 -3.49 116.42 120.86 3kpa h ASP 23 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3kpa h ASP 23 Cb 0.87 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.38 3kpa h ASP 23 CO 0.00 0.06 0.00 0.61 -3.12 0.00 0.00 179.24 176.79 3kpa n GLY 24 N 0.20 0.92 0.22 2.75 0.00 -1.26 -4.07 105.19 103.96 3kpa n GLY 24 Ca 0.01 -1.12 0.10 0.00 0.00 0.00 0.00 46.02 45.01 3kpa n GLY 24 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kpa h ASP 25 N 0.00 0.00 -0.51 1.61 3.45 -1.98 -1.64 116.42 117.35 3kpa h ASP 25 Ca 0.00 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.39 3kpa h ASP 25 Cb 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 3kpa h ASP 25 CO 0.00 0.23 0.08 0.50 -1.57 0.00 0.00 179.24 178.47 3kpa h LYS 26 N 0.00 0.91 -0.31 3.56 1.63 -1.97 -0.90 116.57 119.49 3kpa h LYS 26 Ca -0.00 -0.23 -0.13 0.00 -0.85 0.00 0.00 60.65 59.44 3kpa h LYS 26 Cb 0.72 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.22 3kpa h LYS 26 CO 0.03 0.85 -0.33 2.35 -3.45 0.00 0.00 179.45 178.90 3kpa h TRP 27 N 0.86 0.78 -0.47 1.91 -0.00 -1.65 -2.00 115.95 115.37 3kpa h TRP 27 Ca 0.17 -0.21 -0.10 0.00 -0.00 0.00 0.00 58.89 58.76 3kpa h TRP 27 Cb 0.40 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.16 29.37 3kpa h TRP 27 CO 0.02 0.92 -0.09 1.79 -0.00 0.00 0.00 178.44 181.08 3kpa h THR 28 N 0.57 1.26 -0.86 2.65 1.35 -1.02 0.58 112.91 117.44 3kpa h THR 28 Ca 0.06 -1.17 0.06 0.00 -0.55 0.00 0.00 66.41 64.80 3kpa h THR 28 Cb 0.84 0.99 -0.06 0.00 -1.73 0.00 0.00 68.15 68.20 3kpa h THR 28 CO 0.07 0.41 0.54 0.00 -0.25 0.00 0.00 175.52 176.29 3kpa h ALA 29 N 1.13 1.18 -0.11 6.62 0.00 -1.06 -1.04 119.26 125.97 3kpa h ALA 29 Ca 0.13 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 3kpa h ALA 29 Cb 0.59 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.15 3kpa h ALA 29 CO 0.04 0.31 -0.80 -0.09 0.00 0.00 0.00 179.25 178.70 3kpa h ARG 30 N 1.00 0.74 -0.28 0.00 9.65 -0.71 -3.00 114.38 121.79 3kpa h ARG 30 Ca 0.37 -0.65 -0.04 0.00 -1.10 0.00 0.00 59.98 58.56 3kpa h ARG 30 Cb 0.14 0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.85 3kpa h ARG 30 CO -0.16 1.25 0.01 1.25 2.80 0.00 0.00 179.97 185.12 3kpa h LEU 31 N 0.45 0.38 -0.45 3.80 5.85 0.32 0.74 115.31 126.40 3kpa h LEU 31 Ca -0.07 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.45 3kpa h LEU 31 Cb 1.44 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 3kpa h LEU 31 CO 0.16 0.44 -0.26 0.11 -0.34 0.00 0.00 178.44 178.55 3kpa h LYS 32 N 0.40 0.98 -0.62 1.25 1.57 -1.23 -1.78 116.57 117.14 3kpa h LYS 32 Ca 0.09 -0.45 -0.06 0.00 -1.87 0.00 0.00 60.65 58.36 3kpa h LYS 32 Cb 0.26 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 3kpa h LYS 32 CO 0.01 1.12 0.14 0.93 -0.57 0.00 0.00 179.45 181.07 3kpa h GLU 33 N 0.82 0.97 0.35 3.15 5.08 -1.22 -0.91 114.58 122.82 3kpa h GLU 33 Ca 0.10 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3kpa h GLU 33 Cb 0.85 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3kpa h GLU 33 CO 0.07 0.87 -0.17 1.49 -1.00 0.00 0.00 179.01 180.28 3kpa h GLU 34 N 0.92 -0.45 -0.89 2.33 4.57 -0.72 -0.52 114.58 119.83 3kpa h GLU 34 Ca 0.20 0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.46 3kpa h GLU 34 Cb 0.35 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.98 3kpa h GLU 34 CO 0.00 -0.28 0.56 1.88 -1.18 0.00 0.00 179.01 179.99 3kpa h TYR 35 N -0.50 1.04 0.13 0.92 0.05 -1.23 -1.06 116.97 116.31 3kpa h TYR 35 Ca -0.05 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.77 3kpa h TYR 35 Cb 0.38 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.76 3kpa h TYR 35 CO -0.04 0.54 -0.19 0.00 -1.05 0.00 0.00 178.16 177.42 3kpa h ALA 36 N 1.41 -0.34 -0.05 3.88 0.00 -0.68 0.07 119.26 123.55 3kpa h ALA 36 Ca 0.38 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.27 3kpa h ALA 36 Cb 0.14 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3kpa h ALA 36 CO -0.16 -0.72 -0.06 1.03 0.00 0.00 0.00 179.25 179.33 3kpa h SER 37 N -0.38 -0.18 -0.71 0.00 0.87 -0.86 -2.35 113.55 109.94 3kpa h SER 37 Ca 0.02 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 3kpa h SER 37 Cb 0.38 0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.38 3kpa h SER 37 CO -0.09 -0.09 0.44 -0.07 -0.53 0.00 0.00 176.83 176.49 3kpa h LEU 38 N -0.08 0.70 -0.49 2.23 3.38 -0.94 -1.13 115.31 118.98 3kpa h LEU 38 Ca 0.04 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3kpa h LEU 38 Cb 0.14 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3kpa h LEU 38 CO -0.10 0.47 0.16 0.40 0.09 0.00 0.00 178.44 179.46 3kpa h ILE 39 N 0.84 1.22 -0.68 1.22 5.03 -0.89 -1.23 117.51 123.02 3kpa h ILE 39 Ca 0.29 -0.74 -0.06 0.00 -0.12 0.00 0.00 64.86 64.24 3kpa h ILE 39 Cb 0.07 0.79 -0.03 0.00 -3.03 0.00 0.00 36.82 34.62 3kpa h ILE 39 CO -0.13 0.27 0.20 0.74 -0.68 0.00 0.00 178.15 178.56 3kpa h THR 40 N 0.65 1.25 -0.15 -0.27 2.02 -1.08 -1.88 112.91 113.45 3kpa h THR 40 Ca 0.16 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 3kpa h THR 40 Cb 0.26 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3kpa h THR 40 CO -0.01 0.34 0.08 0.22 0.37 0.00 0.00 175.52 176.53 3kpa h TYR 41 N 0.99 0.21 -0.73 3.16 -0.00 -0.93 -1.60 116.97 118.07 3kpa h TYR 41 Ca 0.22 -0.01 0.02 0.00 -0.00 0.00 0.00 58.73 58.97 3kpa h TYR 41 Cb 0.31 -0.07 -0.04 0.00 -0.00 0.00 0.00 36.73 36.93 3kpa h TYR 41 CO 0.02 0.23 0.47 0.28 -0.00 0.00 0.00 178.16 179.16 3kpa h VAL 42 N 0.14 1.13 -0.00 1.81 2.07 -1.22 -0.78 116.25 119.39 3kpa h VAL 42 Ca 0.05 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.28 3kpa h VAL 42 Cb 0.09 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 3kpa h VAL 42 CO -0.01 0.17 -0.13 -0.33 0.02 0.00 0.00 177.57 177.29 3kpa h GLU 43 N 0.92 -0.21 -0.52 1.57 5.08 -0.92 0.10 114.58 120.61 3kpa h GLU 43 Ca 0.29 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.67 3kpa h GLU 43 Cb -0.02 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3kpa h GLU 43 CO -0.10 -0.14 0.34 0.45 -1.00 0.00 0.00 179.01 178.56 3kpa h HIS 44 N -0.22 0.63 -0.05 4.33 3.86 -1.08 -1.06 115.15 121.56 3kpa h HIS 44 Ca 0.05 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.31 3kpa h HIS 44 Cb 0.28 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.49 3kpa h HIS 44 CO -0.19 0.39 -0.20 -0.91 0.86 0.00 0.00 177.93 177.88 3kpa h ASN 45 N 0.68 -0.60 -0.35 2.45 2.35 -0.79 -1.85 115.58 117.47 3kpa h ASN 45 Ca 0.20 0.09 0.05 0.00 -0.55 0.00 0.00 56.30 56.08 3kpa h ASN 45 Cb -0.05 0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.54 3kpa h ASN 45 CO -0.06 -0.26 0.10 0.11 -1.65 0.00 0.00 177.43 175.67 3kpa h LYS 46 N -0.29 0.23 0.00 0.81 1.57 -0.44 0.48 116.57 118.92 3kpa h LYS 46 Ca 0.07 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3kpa h LYS 46 Cb 0.40 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 3kpa h LYS 46 CO -0.22 0.15 -0.03 0.00 -0.57 0.00 0.00 179.45 178.78 3kpa h ALA 47 N 1.24 1.05 -0.58 3.86 0.00 -1.04 -2.37 119.26 121.42 3kpa h ALA 47 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kpa h ALA 47 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kpa h ALA 47 CO -0.19 0.04 0.00 0.43 0.00 0.00 0.00 179.25 179.53 3kpa n SER 48 N -3.20 3.63 -3.58 0.00 7.64 -0.71 -4.97 113.62 112.43 3kpa n SER 48 Ca -0.01 -1.99 -0.20 0.00 1.01 0.00 0.00 58.87 57.68 3kpa n SER 48 Cb 0.22 -0.39 0.06 0.00 -1.01 0.00 0.00 64.21 63.09 3kpa n SER 48 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3kpa n ASP 49 N 1.38 -2.18 -0.47 6.43 -0.08 -0.78 -4.92 116.55 115.94 3kpa n ASP 49 Ca 0.21 -0.71 0.00 0.00 -1.51 0.00 0.00 54.79 52.78 3kpa n ASP 49 Cb 0.57 -4.61 0.00 0.00 2.34 0.00 0.00 41.12 39.43 3kpa n ASP 49 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3kpa n SER 50 N -3.07 0.04 -4.68 1.67 7.64 0.08 -5.03 113.62 110.27 3kpa n SER 50 Ca -0.25 -1.97 -0.45 0.00 1.01 0.00 0.00 58.87 57.21 3kpa n SER 50 Cb 0.66 -0.19 -0.04 0.00 -1.01 0.00 0.00 64.21 63.63 3kpa n SER 50 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 3kpa n HIS 51 N -0.02 2.45 -1.68 1.43 -0.00 -1.19 -4.83 115.22 111.37 3kpa n HIS 51 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 3kpa n HIS 51 Cb 0.69 -2.65 0.00 0.00 -0.00 0.00 0.00 29.99 28.03 3kpa n HIS 51 CO 0.00 0.00 0.00 -2.67 -0.00 0.00 0.00 176.34 173.67 3kpa n TRP 52 N 5.04 0.00 -3.56 1.57 4.27 -1.26 -5.02 117.44 118.48 3kpa n TRP 52 Ca 0.19 -0.03 -0.10 0.00 -3.89 0.00 0.00 57.50 53.67 3kpa n TRP 52 Cb 0.32 -0.04 -0.04 0.00 -1.36 0.00 0.00 31.31 30.20 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 -0.07 -0.35 -0.05 -2.67 -0.12 -1.26 -1.78 117.98 111.68 3kpa s PHE 53 Ca 0.01 0.49 0.02 0.00 -0.05 0.00 0.00 56.93 57.40 3kpa s PHE 53 Cb 0.01 0.48 0.01 0.00 -0.63 0.00 0.00 43.02 42.88 3kpa s PHE 53 CO 0.00 -0.38 -0.10 -1.58 -0.05 0.00 0.00 175.22 173.10 3kpa s HIS 54 N -1.69 1.19 0.02 3.49 2.46 -0.55 -5.00 115.29 115.21 3kpa s HIS 54 Ca 0.01 -0.37 0.03 0.00 0.47 0.00 0.00 55.06 55.20 3kpa s HIS 54 Cb -0.01 -0.88 -0.02 0.00 -0.13 0.00 0.00 32.58 31.55 3kpa s HIS 54 CO -0.01 -0.19 -0.10 -0.51 -2.47 0.00 0.00 174.74 171.46 3kpa s LEU 55 N 0.49 2.13 0.16 8.88 1.43 -1.26 -1.09 118.68 129.42 3kpa s LEU 55 Ca -0.09 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 3kpa s LEU 55 Cb -0.13 -0.42 -0.05 0.00 0.03 0.00 0.00 46.19 45.63 3kpa s LEU 55 CO 0.02 0.00 -0.05 -0.70 0.23 0.00 0.00 176.35 175.85 3kpa s GLU 56 N -0.84 1.09 0.06 1.70 2.12 0.23 -5.00 118.70 118.06 3kpa s GLU 56 Ca -0.01 -1.50 0.01 0.00 0.36 0.00 0.00 54.97 53.83 3kpa s GLU 56 Cb -0.06 -0.46 -0.03 0.00 0.26 0.00 0.00 34.13 33.83 3kpa s GLU 56 CO 0.00 -0.03 -0.05 -1.54 -0.54 0.00 0.00 175.26 173.10 3kpa s SER 57 N -3.18 0.75 0.92 -1.70 1.04 -1.26 -1.28 113.70 108.99 3kpa s SER 57 Ca 0.20 -0.80 -0.12 0.00 0.48 0.00 0.00 55.95 55.71 3kpa s SER 57 Cb 0.04 0.11 0.14 0.00 0.10 0.00 0.00 66.02 66.42 3kpa s SER 57 CO 0.02 -0.40 1.10 0.54 0.98 0.00 0.00 173.24 175.48 3kpa s ASN 58 N -2.37 3.32 0.23 7.02 4.22 -0.75 -4.85 114.94 121.76 3kpa s ASN 58 Ca 0.00 1.21 -0.10 0.00 -2.14 0.00 0.00 52.86 51.83 3kpa s ASN 58 Cb -0.01 -1.86 0.34 0.00 1.28 0.00 0.00 41.25 41.00 3kpa s ASN 58 CO -0.04 -2.70 1.64 -0.65 -2.04 0.00 0.00 177.10 173.31 3kpa h PRO 59 N -1.59 0.08 0.00 3.55 0.11 -2.02 0.86 132.00 132.99 3kpa h PRO 59 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3kpa h PRO 59 Cb 1.31 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3kpa h PRO 59 CO 0.58 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 178.43 3kpa n GLN 60 N -5.35 0.15 -2.08 1.05 0.00 -1.26 -4.92 117.38 104.98 3kpa n GLN 60 Ca 0.11 0.22 -0.17 0.00 0.00 0.00 0.00 57.00 57.16 3kpa n GLN 60 Cb 0.40 -1.71 -0.03 0.00 0.00 0.00 0.00 30.24 28.90 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 0.85 0.26 0.13 2.61 0.00 0.29 -4.86 105.19 104.48 3kpa n GLY 61 Ca 0.05 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.57 0.00 -3.69 2.61 -2.24 -1.26 -4.85 114.28 101.27 3kpa n THR 62 Ca -0.19 -0.07 -0.24 0.00 -2.27 0.00 0.00 64.05 61.28 3kpa n THR 62 Cb 0.62 0.53 -0.17 0.00 -2.10 0.00 0.00 70.33 69.21 3kpa n THR 62 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3kpa s ARG 63 N -2.79 0.31 0.09 -0.78 3.52 -1.26 -1.40 118.95 116.63 3kpa s ARG 63 Ca 0.15 -0.00 0.09 0.00 -0.13 0.00 0.00 55.73 55.84 3kpa s ARG 63 Cb 0.18 -1.36 -0.04 0.00 -1.56 0.00 0.00 34.95 32.17 3kpa s ARG 63 CO 0.66 -0.49 -0.22 -1.58 -0.81 0.00 0.00 175.30 172.86 3kpa s TRP 64 N 2.04 2.45 0.07 5.12 0.52 0.20 -1.81 118.94 127.53 3kpa s TRP 64 Ca 0.03 -0.32 -0.26 0.00 0.02 0.00 0.00 56.10 55.57 3kpa s TRP 64 Cb -0.14 -1.36 0.07 0.00 -1.15 0.00 0.00 33.47 30.89 3kpa s TRP 64 CO -0.06 0.29 0.64 1.52 0.02 0.00 0.00 176.95 179.36 3kpa s TYR 65 N -1.01 -0.59 -2.52 -1.98 -0.85 -0.41 -1.10 117.35 108.90 3kpa s TYR 65 Ca 0.15 0.67 0.00 0.00 -0.52 0.00 0.00 57.07 57.37 3kpa s TYR 65 Cb -0.10 0.50 0.00 0.00 0.38 0.00 0.00 41.96 42.73 3kpa s TYR 65 CO 0.06 -0.74 0.00 0.41 -1.52 0.00 0.00 175.55 173.76 3kpa n GLY 66 N 0.17 -0.55 3.18 5.49 0.00 -1.26 -0.60 105.19 111.62 3kpa n GLY 66 Ca -0.18 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 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 0.49 0.05 2.61 -4.23 -0.25 -4.51 115.64 105.81 3kpa s THR 67 Ca 0.00 -1.92 -0.11 0.00 -1.18 0.00 0.00 61.69 58.47 3kpa s THR 67 Cb 0.00 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 71.98 3kpa s THR 67 CO 0.00 -0.69 0.24 0.00 -0.54 0.00 0.00 174.62 173.64 3kpa s TRP 69 N -2.85 0.45 0.18 0.00 -2.14 -0.73 -0.04 118.94 113.81 3kpa s TRP 69 Ca -0.03 -0.80 -0.23 0.00 2.66 0.00 0.00 56.10 57.70 3kpa s TRP 69 Cb 0.00 -0.02 0.06 0.00 -3.10 0.00 0.00 33.47 30.41 3kpa s TRP 69 CO -0.05 -0.80 0.67 -0.08 -2.66 0.00 0.00 176.95 174.02 3kpa s THR 70 N -4.00 0.00 0.04 0.66 -1.32 -1.01 -4.79 115.64 105.21 3kpa s THR 70 Ca 0.21 -0.29 0.04 0.00 -1.21 0.00 0.00 61.69 60.44 3kpa s THR 70 Cb 0.02 -1.30 -0.04 0.00 -1.51 0.00 0.00 72.50 69.68 3kpa s THR 70 CO 0.04 0.00 -0.06 -0.31 -2.21 0.00 0.00 174.62 172.08 3kpa s TYR 71 N -3.72 2.88 -0.20 9.09 2.02 -1.26 -1.91 117.35 124.24 3kpa s TYR 71 Ca 0.04 -0.06 -0.11 0.00 -0.37 0.00 0.00 57.07 56.58 3kpa s TYR 71 Cb -0.02 -1.56 0.07 0.00 -0.40 0.00 0.00 41.96 40.04 3kpa s TYR 71 CO -0.07 0.40 0.49 -0.47 -1.57 0.00 0.00 175.55 174.33 3kpa s TYR 72 N -1.09 -0.74 -1.61 2.71 5.04 -0.47 -4.86 117.35 116.33 3kpa s TYR 72 Ca 0.19 1.53 -0.11 0.00 -2.44 0.00 0.00 57.07 56.25 3kpa s TYR 72 Cb -0.11 0.37 0.09 0.00 0.35 0.00 0.00 41.96 42.66 3kpa s TYR 72 CO 0.10 -0.40 0.54 1.63 -1.34 0.00 0.00 175.55 176.09 3kpa n LYS 73 N 4.31 -2.68 -3.69 4.97 4.76 -1.26 -1.02 118.16 123.55 3kpa n LYS 73 Ca -0.22 0.32 -0.28 0.00 -2.87 0.00 0.00 58.31 55.26 3kpa n LYS 73 Cb 0.56 -4.67 0.02 0.00 -1.84 0.00 0.00 35.03 29.10 3kpa n LYS 73 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kpa n ASN 74 N -2.78 -4.83 -4.21 4.39 3.02 -1.26 -4.99 115.26 104.60 3kpa n ASN 74 Ca -0.10 -0.63 -0.21 0.00 -0.03 0.00 0.00 54.58 53.61 3kpa n ASN 74 Cb 0.58 -3.88 -0.12 0.00 -0.61 0.00 0.00 39.78 35.74 3kpa n ASN 74 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kpa s GLU 75 N -6.38 0.97 -0.17 3.52 0.41 -0.19 -5.14 118.70 111.71 3kpa s GLU 75 Ca 0.57 -1.00 -0.09 0.00 -0.41 0.00 0.00 54.97 54.05 3kpa s GLU 75 Cb -0.28 -1.07 -0.05 0.00 -1.78 0.00 0.00 34.13 30.95 3kpa s GLU 75 CO 0.70 0.25 0.12 0.21 -0.49 0.00 0.00 175.26 176.05 3kpa s LYS 76 N -1.68 3.94 -0.20 1.61 2.20 -1.26 -1.37 119.74 122.97 3kpa s LYS 76 Ca 0.02 -0.22 0.01 0.00 -0.36 0.00 0.00 55.97 55.41 3kpa s LYS 76 Cb -0.10 -3.31 0.04 0.00 -1.51 0.00 0.00 37.83 32.95 3kpa s LYS 76 CO 0.03 0.42 -0.11 0.71 -0.36 0.00 0.00 175.35 176.04 3kpa s TYR 77 N -0.01 2.47 -0.12 4.03 1.51 -0.80 -4.65 117.35 119.77 3kpa s TYR 77 Ca 0.09 -1.62 -0.03 0.00 -1.01 0.00 0.00 57.07 54.50 3kpa s TYR 77 Cb -0.11 -1.66 -0.03 0.00 -0.11 0.00 0.00 41.96 40.04 3kpa s TYR 77 CO -0.00 -0.75 -0.02 -2.00 -1.11 0.00 0.00 175.55 171.67 3kpa s GLU 78 N 1.38 3.36 0.01 -0.62 2.12 -1.26 -2.40 118.70 121.29 3kpa s GLU 78 Ca -0.01 -0.47 0.05 0.00 0.36 0.00 0.00 54.97 54.90 3kpa s GLU 78 Cb -0.16 -2.86 -0.02 0.00 0.26 0.00 0.00 34.13 31.35 3kpa s GLU 78 CO -0.08 0.45 -0.15 -0.06 -0.54 0.00 0.00 175.26 174.88 3kpa s PHE 79 N -0.20 1.29 0.76 5.30 0.40 0.94 -4.98 117.98 121.49 3kpa s PHE 79 Ca 0.04 -0.29 -0.12 0.00 -0.60 0.00 0.00 56.93 55.96 3kpa s PHE 79 Cb -0.13 -0.80 0.05 0.00 0.51 0.00 0.00 43.02 42.65 3kpa s PHE 79 CO 0.02 0.01 1.12 -2.00 0.70 0.00 0.00 175.22 175.07 3kpa s GLU 80 N -0.70 2.40 0.00 0.44 2.12 -1.26 -0.78 118.70 120.92 3kpa s GLU 80 Ca 0.04 0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.77 3kpa s GLU 80 Cb -0.07 -1.97 0.00 0.00 0.26 0.00 0.00 34.13 32.35 3kpa s GLU 80 CO 0.00 -1.35 0.00 0.27 -0.54 0.00 0.00 175.26 173.64 3kpa n ASN 82 N -3.21 0.00 -3.53 -1.70 0.23 -0.67 -4.20 115.26 102.19 3kpa n ASN 82 Ca 0.07 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 38.22 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 -0.59 0.13 -2.53 -0.71 -0.26 -0.68 117.98 111.34 3kpa s PHE 83 Ca 0.00 0.91 0.01 0.00 -1.04 0.00 0.00 56.93 56.81 3kpa s PHE 83 Cb 0.00 0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 42.18 3kpa s PHE 83 CO 0.00 -0.63 0.28 -0.51 -1.34 0.00 0.00 175.22 173.02 3kpa s ASP 84 N -1.48 6.35 -0.14 1.98 1.01 -1.26 -0.62 116.67 122.50 3kpa s ASP 84 Ca -0.09 0.22 -0.22 0.00 0.71 0.00 0.00 52.55 53.17 3kpa s ASP 84 Cb -0.01 -1.94 -0.03 0.00 1.01 0.00 0.00 42.92 41.96 3kpa s ASP 84 CO 0.05 0.07 0.68 -0.63 0.21 0.00 0.00 175.17 175.55 3kpa s ILE 85 N -1.69 5.02 0.71 0.77 -1.09 -0.49 -4.35 121.20 120.06 3kpa s ILE 85 Ca 0.35 1.33 -0.15 0.00 -2.23 0.00 0.00 60.65 59.96 3kpa s ILE 85 Cb -0.12 -4.00 0.03 0.00 -1.58 0.00 0.00 42.46 36.79 3kpa s ILE 85 CO 0.28 0.16 1.15 -2.84 -1.23 0.00 0.00 174.94 172.46 3kpa s PRO 86 N 1.50 2.41 0.34 2.79 0.02 -1.26 -4.89 135.00 135.90 3kpa s PRO 86 Ca 0.33 1.55 0.02 0.00 0.02 0.00 0.00 61.00 62.92 3kpa s PRO 86 Cb -0.16 -1.89 0.60 0.00 0.02 0.00 0.00 34.50 33.07 3kpa s PRO 86 CO 0.13 -1.59 1.96 0.28 -0.33 0.00 0.00 177.00 177.45 3kpa h VAL 87 N -0.24 1.18 0.00 3.83 2.07 -1.97 -2.06 116.25 119.06 3kpa h VAL 87 Ca -0.47 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3kpa h VAL 87 Cb 1.27 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3kpa h VAL 87 CO 0.51 0.20 0.00 0.35 0.02 0.00 0.00 177.57 178.65 3kpa n THR 88 N -4.39 0.11 -1.62 2.57 -2.24 -1.26 -4.58 114.28 102.88 3kpa n THR 88 Ca 0.05 0.03 -0.47 0.00 -2.27 0.00 0.00 64.05 61.39 3kpa n THR 88 Cb 0.11 -0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 67.74 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 -1.40 1.69 0.13 4.78 4.19 -0.77 -0.81 117.16 124.98 3kpa n TYR 89 Ca 0.10 0.56 0.10 0.00 3.31 0.00 0.00 57.90 61.97 3kpa n TYR 89 Cb 0.27 -2.36 0.27 0.00 0.49 0.00 0.00 39.34 38.00 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 1.97 2.38 0.03 2.98 -0.04 -1.26 -2.95 135.00 138.10 3kpa n PRO 90 Ca 0.14 -2.14 -0.12 0.00 -0.04 0.00 0.00 63.50 61.34 3kpa n PRO 90 Cb 0.27 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 32.20 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 3.54 0.03 -5.36 0.54 1.08 -1.38 -3.41 115.11 110.15 3kpa h GLN 91 Ca 0.00 -0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.60 3kpa h GLN 91 Cb 0.81 -0.01 -0.11 0.00 -0.05 0.00 0.00 27.48 28.12 3kpa h GLN 91 CO 0.00 0.03 -0.39 0.00 -0.95 0.00 0.00 178.83 177.52 3kpa s ALA 92 N -6.14 3.62 0.66 3.87 0.00 -1.20 -4.80 121.76 117.77 3kpa s ALA 92 Ca -0.13 -0.59 -0.14 0.00 0.00 0.00 0.00 51.96 51.10 3kpa s ALA 92 Cb 0.06 -2.33 -0.00 0.00 0.00 0.00 0.00 23.12 20.85 3kpa s ALA 92 CO 0.66 0.05 1.09 -1.25 0.00 0.00 0.00 175.76 176.31 3kpa s PRO 93 N 0.57 2.88 0.69 0.00 0.04 -1.26 -4.09 135.00 133.84 3kpa s PRO 93 Ca 0.13 1.25 -0.13 0.00 0.04 0.00 0.00 61.00 62.29 3kpa s PRO 93 Cb -0.12 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.46 3kpa s PRO 93 CO 0.02 -1.17 1.10 -1.25 0.04 0.00 0.00 177.00 175.74 3kpa s PRO 94 N -4.32 2.67 -0.47 0.56 0.04 -1.26 -4.85 135.00 127.37 3kpa s PRO 94 Ca 0.64 1.29 -0.14 0.00 0.04 0.00 0.00 61.00 62.83 3kpa s PRO 94 Cb -0.18 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.50 3kpa s PRO 94 CO 0.44 -1.34 0.38 -1.21 0.04 0.00 0.00 177.00 175.31 3kpa s GLU 95 N -4.39 2.89 0.02 4.56 2.02 -1.26 -5.07 118.70 117.47 3kpa s GLU 95 Ca 0.64 -1.44 -0.30 0.00 0.02 0.00 0.00 54.97 53.90 3kpa s GLU 95 Cb -0.19 -4.08 -0.04 0.00 0.10 0.00 0.00 34.13 29.93 3kpa s GLU 95 CO 0.46 -1.06 0.96 0.42 0.02 0.00 0.00 175.26 176.06 3kpa s ILE 96 N 1.58 4.81 -0.05 -1.63 1.01 -1.26 -4.50 121.20 121.16 3kpa s ILE 96 Ca 0.04 2.03 0.04 0.00 0.00 0.00 0.00 60.65 62.75 3kpa s ILE 96 Cb -0.25 -4.30 -0.02 0.00 0.01 0.00 0.00 42.46 37.89 3kpa s ILE 96 CO 0.05 0.19 -0.16 0.00 0.00 0.00 0.00 174.94 175.02 3kpa s ALA 97 N 0.81 2.57 -0.57 9.38 0.00 0.14 -0.80 121.76 133.29 3kpa s ALA 97 Ca 0.50 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.53 3kpa s ALA 97 Cb -0.21 -0.92 0.22 0.00 0.00 0.00 0.00 23.12 22.20 3kpa s ALA 97 CO 0.28 0.51 0.57 1.28 0.00 0.00 0.00 175.76 178.40 3kpa n LEU 98 N 2.48 2.12 -0.29 0.00 4.77 -0.44 -1.67 117.00 123.98 3kpa n LEU 98 Ca -0.17 -5.05 0.34 0.00 -0.03 0.00 0.00 56.01 51.10 3kpa n LEU 98 Cb 0.52 -0.22 0.75 0.00 -2.33 0.00 0.00 43.42 42.14 3kpa n LEU 98 CO 0.26 1.95 1.31 -0.65 -1.33 0.00 0.00 177.39 178.92 3kpa h PRO 99 N 4.70 0.00 0.00 3.23 0.11 -1.77 -0.30 132.00 137.97 3kpa h PRO 99 Ca 0.17 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.23 3kpa h PRO 99 Cb 0.77 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 3kpa h PRO 99 CO 0.65 0.00 -0.24 0.93 -0.21 0.00 0.00 178.00 179.13 3kpa h GLU 100 N 0.00 0.00 -0.16 1.05 5.08 -1.95 -3.03 114.58 115.57 3kpa h GLU 100 Ca 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 3kpa h GLU 100 Cb 2.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.39 3kpa h GLU 100 CO -0.01 0.24 0.00 1.28 -1.00 0.00 0.00 179.01 179.53 3kpa n LEU 101 N -3.75 1.53 -4.70 1.33 4.77 -0.12 -4.88 117.00 111.17 3kpa n LEU 101 Ca -0.01 -0.64 -0.42 0.00 -0.03 0.00 0.00 56.01 54.90 3kpa n LEU 101 Cb 0.35 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 3kpa n LEU 101 CO 0.34 0.32 0.98 -0.70 -1.33 0.00 0.00 177.39 177.01 3kpa s GLU 102 N -1.80 4.36 0.00 3.23 2.12 -1.15 -1.87 118.70 123.59 3kpa s GLU 102 Ca 0.31 1.84 0.00 0.00 0.36 0.00 0.00 54.97 57.49 3kpa s GLU 102 Cb 0.17 -3.43 0.00 0.00 0.26 0.00 0.00 34.13 31.13 3kpa s GLU 102 CO 0.25 -0.40 0.00 0.41 -0.54 0.00 0.00 175.26 174.98 3kpa n GLY 103 N 3.40 0.46 0.00 -1.50 0.00 -1.26 -4.91 105.19 101.38 3kpa n GLY 103 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.21 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 1.27 -3.78 1.61 5.02 -0.78 -4.99 118.16 114.51 3kpa n LYS 104 Ca 0.00 -0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.11 3kpa n LYS 104 Cb 0.00 -1.30 -0.11 0.00 -0.02 0.00 0.00 35.03 33.60 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 -2.74 0.01 -0.66 -0.18 -1.32 -1.23 -5.03 115.64 104.49 3kpa s THR 105 Ca 0.02 -0.11 0.25 0.00 -1.21 0.00 0.00 61.69 60.64 3kpa s THR 105 Cb 0.11 -0.44 0.27 0.00 -1.51 0.00 0.00 72.50 70.94 3kpa s THR 105 CO 0.67 -0.06 1.76 1.33 -2.21 0.00 0.00 174.62 176.10 3kpa n VAL 106 N 2.60 0.65 -2.82 5.08 0.24 -1.26 -4.94 118.33 117.88 3kpa n VAL 106 Ca -0.15 -0.10 -0.44 0.00 -2.04 0.00 0.00 64.34 61.62 3kpa n VAL 106 Cb 0.58 -0.78 0.00 0.00 -1.47 0.00 0.00 33.84 32.17 3kpa n VAL 106 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3kpa n LYS 107 N -2.22 3.62 -4.41 7.34 4.01 -1.26 -5.00 118.16 120.24 3kpa n LYS 107 Ca 0.04 -3.93 -0.26 0.00 -0.51 0.00 0.00 58.31 53.66 3kpa n LYS 107 Cb 0.36 -2.87 -0.11 0.00 -0.51 0.00 0.00 35.03 31.91 3kpa n LYS 107 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 3kpa s TYR 109 N 0.22 2.37 -0.21 2.13 1.51 0.14 -1.27 117.35 122.24 3kpa s TYR 109 Ca 0.39 -0.32 -0.29 0.00 -1.01 0.00 0.00 57.07 55.83 3kpa s TYR 109 Cb 0.01 -1.12 -0.03 0.00 -0.11 0.00 0.00 41.96 40.71 3kpa s TYR 109 CO 0.00 0.57 1.70 1.03 -1.11 0.00 0.00 175.55 177.75 3kpa s ARG 110 N -3.00 3.73 0.00 -0.62 0.52 -1.26 -1.76 118.95 116.56 3kpa s ARG 110 Ca 0.25 1.75 0.00 0.00 -0.52 0.00 0.00 55.73 57.20 3kpa s ARG 110 Cb -0.07 -4.08 0.00 0.00 0.52 0.00 0.00 34.95 31.32 3kpa s ARG 110 CO 0.13 -1.37 0.00 0.41 0.02 0.00 0.00 175.30 174.48 3kpa n GLY 111 N 4.79 1.23 0.00 -3.53 0.00 -1.26 -4.83 105.19 101.60 3kpa n GLY 111 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 1.29 3.71 -0.02 0.00 -0.72 -4.77 105.19 104.68 3kpa n GLY 112 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.18 4.27 0.50 1.61 1.02 -1.24 -1.33 119.74 124.39 3kpa s LYS 113 Ca 0.00 2.20 -0.20 0.00 0.02 0.00 0.00 55.97 57.99 3kpa s LYS 113 Cb 0.00 -3.27 -0.08 0.00 -0.52 0.00 0.00 37.83 33.96 3kpa s LYS 113 CO 0.00 -0.54 1.08 0.96 -0.92 0.00 0.00 175.35 175.93 3kpa s ILE 114 N 1.37 3.54 0.40 2.17 -4.36 0.02 0.24 121.20 124.59 3kpa s ILE 114 Ca 0.68 0.99 0.08 0.00 -0.26 0.00 0.00 60.65 62.13 3kpa s ILE 114 Cb -0.39 -3.41 -0.00 0.00 1.25 0.00 0.00 42.46 39.90 3kpa s ILE 114 CO 0.31 -0.18 0.48 0.00 0.24 0.00 0.00 174.94 175.79 3kpa s THR 117 N -2.35 5.44 0.47 0.00 -1.32 -1.26 -4.92 115.64 111.69 3kpa s THR 117 Ca 0.51 -0.03 0.33 0.00 -1.21 0.00 0.00 61.69 61.29 3kpa s THR 117 Cb -0.08 -3.51 0.53 0.00 -1.51 0.00 0.00 72.50 67.93 3kpa s THR 117 CO 0.31 0.40 1.66 0.00 -2.21 0.00 0.00 174.62 174.78 3kpa h THR 118 N 3.12 0.20 0.00 5.08 1.03 -2.05 -1.33 112.91 118.97 3kpa h THR 118 Ca -0.50 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 65.86 3kpa h THR 118 Cb 1.20 0.09 0.00 0.00 -1.07 0.00 0.00 68.15 68.37 3kpa h THR 118 CO 0.66 0.02 0.00 0.45 -0.01 0.00 0.00 175.52 176.64 3kpa h HIS 119 N 0.10 0.00 -0.77 0.00 3.86 -2.03 -3.18 115.15 113.13 3kpa h HIS 119 Ca 0.77 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.96 3kpa h HIS 119 Cb 2.60 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 31.04 3kpa h HIS 119 CO -0.00 0.00 0.39 0.35 0.86 0.00 0.00 177.93 179.53 3kpa h PHE 120 N 0.00 1.09 -0.55 2.45 3.57 -1.62 -2.97 116.94 118.92 3kpa h PHE 120 Ca 0.00 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.35 3kpa h PHE 120 Cb 0.72 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 3kpa h PHE 120 CO 0.00 0.79 -0.06 0.74 -2.23 0.00 0.00 178.31 177.55 3kpa h PHE 121 N 1.08 1.11 0.00 0.41 0.04 -1.73 0.38 116.94 118.24 3kpa h PHE 121 Ca 0.27 -0.21 -0.06 0.00 2.80 0.00 0.00 57.97 60.76 3kpa h PHE 121 Cb 0.08 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 37.94 3kpa h PHE 121 CO 0.01 1.02 -0.29 -1.00 -0.60 0.00 0.00 178.31 177.45 3kpa h PRO 122 N 0.88 0.00 -0.10 1.51 0.13 -1.75 -0.94 132.00 131.74 3kpa h PRO 122 Ca 0.15 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.25 3kpa h PRO 122 Cb 0.62 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 3kpa h PRO 122 CO 0.04 0.29 -0.04 1.25 -0.23 0.00 0.00 178.00 179.31 3kpa h LEU 123 N 0.00 0.21 0.30 1.56 5.85 -1.27 -3.02 115.31 118.94 3kpa h LEU 123 Ca -0.00 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 3kpa h LEU 123 Cb 0.99 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 3kpa h LEU 123 CO 0.04 0.56 -0.21 -0.25 -0.34 0.00 0.00 178.44 178.23 3kpa h TRP 124 N -0.14 -0.56 -0.77 1.25 2.91 -0.27 -3.19 115.95 115.17 3kpa h TRP 124 Ca 0.02 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.05 3kpa h TRP 124 Cb 0.48 0.21 -0.04 0.00 -0.51 0.00 0.00 29.16 29.30 3kpa h TRP 124 CO 0.06 -0.33 0.51 0.00 -1.03 0.00 0.00 178.44 177.66 3kpa h ALA 125 N 0.15 1.46 0.00 2.65 0.00 -1.25 -1.58 119.26 120.69 3kpa h ALA 125 Ca -0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3kpa h ALA 125 Cb 0.44 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3kpa h ALA 125 CO 0.00 0.50 -0.24 0.07 0.00 0.00 0.00 179.25 179.58 3kpa h ARG 126 N 1.04 0.00 -0.51 0.00 0.11 -1.58 -3.08 114.38 110.35 3kpa h ARG 126 Ca 0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.37 3kpa h ARG 126 Cb -0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 30.97 3kpa h ARG 126 CO -0.06 0.24 0.00 0.09 0.10 0.00 0.00 179.97 180.34 3kpa n ASN 127 N -3.34 3.29 -4.73 0.08 3.02 -0.64 -4.93 115.26 108.01 3kpa n ASN 127 Ca 0.01 -1.97 -0.42 0.00 -0.03 0.00 0.00 54.58 52.17 3kpa n ASN 127 Cb 0.47 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 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 -1.33 3.24 -1.71 2.41 1.01 -0.92 -0.15 120.40 122.96 3kpa s VAL 128 Ca 0.41 0.98 0.20 0.00 0.00 0.00 0.00 61.98 63.57 3kpa s VAL 128 Cb 0.22 -3.63 0.64 0.00 0.00 0.00 0.00 36.38 33.61 3kpa s VAL 128 CO 0.30 0.13 1.54 -0.81 0.00 0.00 0.00 175.10 176.26 3kpa n PRO 129 N 2.98 2.96 0.28 2.72 -0.04 -1.26 -4.96 135.00 137.68 3kpa n PRO 129 Ca 0.08 -2.58 0.14 0.00 -0.04 0.00 0.00 63.50 61.10 3kpa n PRO 129 Cb 0.43 -1.66 0.81 0.00 -0.04 0.00 0.00 33.50 33.04 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 4.00 0.00 -3.28 0.54 0.05 -0.69 -3.39 116.97 114.20 3kpa h TYR 130 Ca 0.00 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.22 3kpa h TYR 130 Cb 1.09 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.80 3kpa h TYR 130 CO 0.56 0.07 -0.22 -0.06 -1.05 0.00 0.00 178.16 177.46 3kpa s PHE 131 N -4.35 3.45 0.00 4.88 0.08 -1.02 -0.86 117.98 120.16 3kpa s PHE 131 Ca -0.04 0.69 0.00 0.00 0.12 0.00 0.00 56.93 57.70 3kpa s PHE 131 Cb 0.14 -2.11 0.00 0.00 -0.57 0.00 0.00 43.02 40.47 3kpa s PHE 131 CO 0.57 0.35 0.00 0.41 -0.10 0.00 0.00 175.22 176.45 3kpa n GLY 132 N -0.06 5.24 0.28 4.36 0.00 -1.26 -4.87 105.19 108.88 3kpa n GLY 132 Ca -0.01 -1.45 0.04 0.00 0.00 0.00 0.00 46.02 44.59 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 0.04 0.76 -0.59 -0.61 5.03 -1.99 0.62 117.51 120.78 3kpa h ILE 133 Ca 0.00 -0.19 0.12 0.00 -0.12 0.00 0.00 64.86 64.66 3kpa h ILE 133 Cb 0.00 0.15 -0.09 0.00 -3.03 0.00 0.00 36.82 33.85 3kpa h ILE 133 CO 0.00 0.10 0.08 0.77 -0.68 0.00 0.00 178.15 178.42 3kpa h SER 134 N 0.56 -0.09 0.20 1.72 4.64 -1.93 -2.13 113.55 116.53 3kpa h SER 134 Ca 0.40 0.12 -0.10 0.00 -0.47 0.00 0.00 61.79 61.74 3kpa h SER 134 Cb 0.51 0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 3kpa h SER 134 CO -0.33 -0.03 -0.39 0.45 -0.87 0.00 0.00 176.83 175.66 3kpa h HIS 135 N 0.20 0.29 -0.05 4.77 3.86 -1.29 -1.76 115.15 121.17 3kpa h HIS 135 Ca 0.31 -0.08 -0.13 0.00 -1.16 0.00 0.00 60.37 59.32 3kpa h HIS 135 Cb 0.48 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 3kpa h HIS 135 CO -0.28 0.61 -0.55 -0.24 0.86 0.00 0.00 177.93 178.33 3kpa h VAL 136 N 0.21 1.38 -0.15 2.45 3.04 -0.94 0.12 116.25 122.36 3kpa h VAL 136 Ca 0.02 -1.86 -0.05 0.00 -1.01 0.00 0.00 66.70 63.80 3kpa h VAL 136 Cb 0.78 1.95 -0.00 0.00 -2.01 0.00 0.00 31.29 32.01 3kpa h VAL 136 CO 0.06 0.55 -0.08 -0.07 -1.01 0.00 0.00 177.57 177.02 3kpa h LEU 137 N 0.12 0.34 -0.13 3.16 3.38 -1.06 0.11 115.31 121.23 3kpa h LEU 137 Ca -0.00 -0.42 -0.13 0.00 0.09 0.00 0.00 57.88 57.42 3kpa h LEU 137 Cb 1.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3kpa h LEU 137 CO 0.08 0.68 -0.41 0.00 0.09 0.00 0.00 178.44 178.88 3kpa h ALA 138 N 0.66 0.23 0.00 1.53 0.00 -1.27 0.11 119.26 120.53 3kpa h ALA 138 Ca 0.03 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 3kpa h ALA 138 Cb 0.56 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3kpa h ALA 138 CO 0.02 0.34 -1.49 1.28 0.00 0.00 0.00 179.25 179.40 3kpa n LEU 139 N -4.29 0.54 -0.03 0.00 4.77 0.43 -4.30 117.00 114.11 3kpa n LEU 139 Ca -0.07 0.22 -0.04 0.00 -0.03 0.00 0.00 56.01 56.08 3kpa n LEU 139 Cb 0.54 0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.65 3kpa n LEU 139 CO 0.45 -0.01 -0.33 0.61 -1.33 0.00 0.00 177.39 176.77 3kpa n GLY 140 N 1.29 -0.36 0.20 -0.72 0.00 0.20 -4.63 105.19 101.18 3kpa n GLY 140 Ca -0.06 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.49 0.80 0.22 0.99 5.85 -0.89 -3.10 115.31 118.69 3kpa h LEU 141 Ca 0.00 -0.60 0.01 0.00 0.84 0.00 0.00 57.88 58.13 3kpa h LEU 141 Cb 0.49 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3kpa h LEU 141 CO 0.00 1.26 -0.33 1.23 -0.34 0.00 0.00 178.44 180.26 3kpa h GLY 142 N 0.38 -0.70 2.00 3.75 0.00 -0.96 -0.56 103.07 106.98 3kpa h GLY 142 Ca -0.03 0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.63 3kpa h GLY 142 CO 0.12 -0.27 -0.28 -2.55 0.00 0.00 0.00 176.54 173.56 3kpa h PRO 143 N -0.62 0.00 0.19 4.80 0.11 -1.76 -0.29 132.00 134.43 3kpa h PRO 143 Ca 0.01 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 3kpa h PRO 143 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 3kpa h PRO 143 CO -0.13 0.28 -0.09 2.35 -0.21 0.00 0.00 178.00 180.20 3kpa h TRP 144 N 0.00 -0.24 -0.18 0.65 7.01 -1.41 -2.45 115.95 119.34 3kpa h TRP 144 Ca -0.00 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.00 3kpa h TRP 144 Cb 0.53 0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.66 3kpa h TRP 144 CO 0.00 -0.00 0.11 -0.07 -2.79 0.00 0.00 178.44 175.68 3kpa h LEU 145 N -0.45 0.17 -1.80 0.65 3.38 -0.89 0.15 115.31 116.53 3kpa h LEU 145 Ca -0.03 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kpa h LEU 145 Cb 0.34 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3kpa h LEU 145 CO 0.04 0.13 0.09 0.77 0.09 0.00 0.00 178.44 179.56 3kpa h SER 146 N 0.22 0.20 0.12 -0.43 4.64 -1.05 -1.68 113.55 115.57 3kpa h SER 146 Ca 0.07 -0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.20 3kpa h SER 146 Cb -0.01 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 3kpa h SER 146 CO -0.03 0.16 -2.06 0.00 -0.87 0.00 0.00 176.83 174.03 3kpa n ILE 147 N -4.49 0.78 -0.06 0.95 0.13 -0.93 -4.51 119.36 111.24 3kpa n ILE 147 Ca -0.01 -0.68 -0.15 0.00 -1.10 0.00 0.00 62.75 60.81 3kpa n ILE 147 Cb 0.09 -0.31 -0.14 0.00 -0.84 0.00 0.00 39.64 38.44 3kpa n ILE 147 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 3kpa n GLU 148 N -2.57 0.69 -0.19 9.51 -0.58 0.51 -4.39 120.64 123.62 3kpa n GLU 148 Ca -0.17 0.18 -0.06 0.00 -0.42 0.00 0.00 57.16 56.69 3kpa n GLU 148 Cb 0.86 -1.64 0.04 0.00 -0.57 0.00 0.00 31.44 30.13 3kpa n GLU 148 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3kpa h VAL 149 N 0.02 1.09 -0.70 2.62 2.07 -1.50 -2.95 116.25 116.90 3kpa h VAL 149 Ca -0.46 -0.24 0.08 0.00 0.82 0.00 0.00 66.70 66.90 3kpa h VAL 149 Cb 2.04 0.34 -0.07 0.00 -1.52 0.00 0.00 31.29 32.08 3kpa h VAL 149 CO 0.03 0.13 0.37 -0.65 0.02 0.00 0.00 177.57 177.46 3kpa h PRO 150 N 0.69 0.62 -0.72 1.57 0.11 -1.78 -0.74 132.00 131.76 3kpa h PRO 150 Ca 0.21 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3kpa h PRO 150 Cb -0.02 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 30.95 3kpa h PRO 150 CO -0.07 0.41 0.00 0.00 -0.21 0.00 0.00 178.00 178.13 3kpa n ALA 151 N -2.39 1.32 0.00 -0.75 0.00 -1.12 -1.76 120.51 115.81 3kpa n ALA 151 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3kpa n ALA 151 Cb 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.62 0.00 0.07 0.00 0.31 -0.28 -1.07 118.33 117.97 3kpa n VAL 153 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 3kpa n VAL 153 Cb 0.04 0.00 0.44 0.00 -0.91 0.00 0.00 33.84 33.41 3kpa n VAL 153 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3kpa h GLU 154 N 0.00 0.38 0.00 5.55 4.39 -1.60 -0.68 114.58 122.63 3kpa h GLU 154 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3kpa h GLU 154 Cb 0.00 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3kpa h GLU 154 CO 0.00 0.32 0.00 0.39 -1.16 0.00 0.00 179.01 178.56 3kpa n GLU 155 N -4.43 0.26 -0.46 2.33 1.02 -0.23 -4.90 120.64 114.23 3kpa n GLU 155 Ca 0.01 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 3kpa n GLU 155 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 3kpa n GLU 155 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kpa n GLY 156 N 0.80 0.76 0.13 0.62 0.00 -0.26 -4.97 105.19 102.27 3kpa n GLY 156 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 0.54 -2.77 1.61 0.05 -1.91 -3.47 116.97 111.03 3kpa h TYR 157 Ca 0.00 -0.33 -0.67 0.00 0.05 0.00 0.00 58.73 57.77 3kpa h TYR 157 Cb 0.00 -0.05 -0.08 0.00 1.01 0.00 0.00 36.73 37.61 3kpa h TYR 157 CO 0.00 1.19 -0.51 -0.51 -1.05 0.00 0.00 178.16 177.29 3kpa s LEU 158 N -7.47 4.24 -0.07 3.88 1.43 -1.26 -5.04 118.68 114.40 3kpa s LEU 158 Ca -0.05 0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 53.30 3kpa s LEU 158 Cb 0.08 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 3kpa s LEU 158 CO 0.87 0.40 0.41 -0.54 0.23 0.00 0.00 176.35 177.72 3kpa s LYS 159 N -1.03 4.11 0.00 1.70 1.02 -1.26 -4.94 119.74 119.34 3kpa s LYS 159 Ca 0.15 0.37 0.19 0.00 0.02 0.00 0.00 55.97 56.70 3kpa s LYS 159 Cb -0.12 -3.32 1.14 0.00 -0.52 0.00 0.00 37.83 35.00 3kpa s LYS 159 CO 0.04 0.44 1.53 -2.30 -0.92 0.00 0.00 175.35 174.14