#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qtw s ALA 62 N 0.00 3.29 0.25 6.98 0.00 -1.26 -4.90 121.76 126.12 2qtw s ALA 62 Ca 0.00 0.37 0.10 0.00 0.00 0.00 0.00 51.96 52.42 2qtw s ALA 62 Cb 0.00 -3.12 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 2qtw s ALA 62 CO 0.00 -0.05 -0.17 0.95 0.00 0.00 0.00 175.76 176.50 2qtw s THR 63 N 0.34 2.11 0.02 0.00 -4.23 -1.11 -4.97 115.64 107.79 2qtw s THR 63 Ca 0.43 -2.30 0.06 0.00 -1.18 0.00 0.00 61.69 58.69 2qtw s THR 63 Cb -0.21 -2.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.40 2qtw s THR 63 CO 0.24 -0.48 -0.15 0.12 -0.54 0.00 0.00 174.62 173.82 2qtw s PHE 64 N -2.74 2.65 -0.04 3.99 5.36 -1.26 -0.90 117.98 125.05 2qtw s PHE 64 Ca 0.27 -0.20 -0.04 0.00 -0.96 0.00 0.00 56.93 56.01 2qtw s PHE 64 Cb -0.02 -1.52 0.01 0.00 -0.34 0.00 0.00 43.02 41.14 2qtw s PHE 64 CO 0.11 0.26 0.10 -1.01 -1.46 0.00 0.00 175.22 173.23 2qtw s HIS 65 N -0.91 -0.11 0.12 10.12 3.76 -0.00 -4.97 115.29 123.30 2qtw s HIS 65 Ca 0.15 0.27 -0.04 0.00 -0.15 0.00 0.00 55.06 55.29 2qtw s HIS 65 Cb -0.11 0.04 -0.03 0.00 1.11 0.00 0.00 32.58 33.59 2qtw s HIS 65 CO 0.05 -0.06 0.11 -0.98 -0.85 0.00 0.00 174.74 173.01 2qtw s ARG 66 N 0.04 0.90 0.22 1.40 1.70 -1.26 -1.42 118.95 120.53 2qtw s ARG 66 Ca -0.00 -1.28 -0.31 0.00 -0.47 0.00 0.00 55.73 53.67 2qtw s ARG 66 Cb -0.01 0.28 -0.11 0.00 -0.57 0.00 0.00 34.95 34.54 2qtw s ARG 66 CO 0.00 -0.27 1.61 0.00 -1.08 0.00 0.00 175.30 175.57 2qtw h ALA 68 N 6.14 1.20 -1.43 0.00 0.00 -2.00 -3.39 119.26 119.79 2qtw h ALA 68 Ca -0.44 -0.41 -0.61 0.00 0.00 0.00 0.00 54.91 53.46 2qtw h ALA 68 Cb 1.21 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.81 2qtw h ALA 68 CO 0.89 0.56 1.09 0.15 0.00 0.00 0.00 179.25 181.93 2qtw s LYS 69 N -3.93 3.40 0.27 0.00 -0.14 -1.26 -4.90 119.74 113.18 2qtw s LYS 69 Ca -0.02 -0.96 -0.00 0.00 -1.36 0.00 0.00 55.97 53.63 2qtw s LYS 69 Cb 0.13 -4.77 0.52 0.00 -1.68 0.00 0.00 37.83 32.04 2qtw s LYS 69 CO 0.73 -2.04 1.82 0.22 -0.76 0.00 0.00 175.35 175.32 2qtw h ASP 70 N 9.63 0.83 0.08 2.83 3.58 -2.00 -0.14 116.42 131.23 2qtw h ASP 70 Ca -0.02 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2qtw h ASP 70 Cb 1.03 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.98 2qtw h ASP 70 CO 1.29 0.43 0.00 -0.65 -2.88 0.00 0.00 179.24 177.43 2qtw h PRO 71 N 0.90 0.00 -0.01 0.28 0.11 -1.94 -2.39 132.00 128.95 2qtw h PRO 71 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 2qtw h PRO 71 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 2qtw h PRO 71 CO -0.28 0.00 -0.29 0.91 -0.21 0.00 0.00 178.00 178.13 2qtw n TRP 72 N -2.92 0.00 -2.13 0.65 8.01 -0.07 -4.93 117.44 116.05 2qtw n TRP 72 Ca -0.02 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.82 2qtw n TRP 72 Cb 0.08 -0.05 0.01 0.00 -2.01 0.00 0.00 31.31 29.34 2qtw n TRP 72 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 2qtw s ARG 73 N -2.40 3.20 -0.51 -0.99 0.52 -0.90 0.09 118.95 117.95 2qtw s ARG 73 Ca 0.24 1.58 0.06 0.00 -0.52 0.00 0.00 55.73 57.09 2qtw s ARG 73 Cb 0.19 -1.99 0.21 0.00 0.52 0.00 0.00 34.95 33.88 2qtw s ARG 73 CO 0.50 -0.97 0.51 1.28 0.02 0.00 0.00 175.30 176.64 2qtw n LEU 74 N -1.57 1.23 -4.61 2.53 4.77 -0.27 -4.81 117.00 114.27 2qtw n LEU 74 Ca 0.12 -4.84 -0.35 0.00 -0.03 0.00 0.00 56.01 50.90 2qtw n LEU 74 Cb 0.51 0.09 0.09 0.00 -2.33 0.00 0.00 43.42 41.78 2qtw n LEU 74 CO 0.44 1.95 0.51 -2.65 -1.33 0.00 0.00 177.39 176.30 2qtw n PRO 75 N 1.83 0.44 -0.01 3.23 -0.02 -1.26 -3.45 135.00 135.76 2qtw n PRO 75 Ca 0.25 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2qtw n PRO 75 Cb 0.46 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2qtw n PRO 75 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qtw n GLY 76 N 1.09 0.75 2.95 -1.23 0.00 -1.26 -5.02 105.19 102.47 2qtw n GLY 76 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 2qtw n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qtw s THR 77 N -2.26 0.62 -0.02 2.61 2.01 -1.22 -1.45 115.64 115.93 2qtw s THR 77 Ca 0.00 -0.24 0.02 0.00 0.31 0.00 0.00 61.69 61.78 2qtw s THR 77 Cb 0.00 -0.59 -0.00 0.00 0.01 0.00 0.00 72.50 71.92 2qtw s THR 77 CO 0.00 0.22 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.75 2qtw s TYR 78 N 0.42 0.84 -0.33 4.92 2.02 0.42 -0.77 117.35 124.88 2qtw s TYR 78 Ca -0.06 -0.18 -0.16 0.00 -0.37 0.00 0.00 57.07 56.29 2qtw s TYR 78 Cb -0.10 -0.58 -0.01 0.00 -0.40 0.00 0.00 41.96 40.87 2qtw s TYR 78 CO 0.00 -0.06 0.43 0.08 -1.57 0.00 0.00 175.55 174.44 2qtw s VAL 79 N 0.02 5.10 -0.39 0.71 1.01 0.85 -0.58 120.40 127.13 2qtw s VAL 79 Ca -0.00 0.27 -0.15 0.00 0.00 0.00 0.00 61.98 62.10 2qtw s VAL 79 Cb -0.06 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.47 2qtw s VAL 79 CO 0.00 -0.10 0.32 -0.69 0.00 0.00 0.00 175.10 174.63 2qtw s VAL 80 N 2.19 5.22 -0.24 2.92 1.01 0.25 -0.69 120.40 131.06 2qtw s VAL 80 Ca 0.15 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.62 2qtw s VAL 80 Cb -0.16 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 2qtw s VAL 80 CO 0.12 -0.24 0.11 -0.69 0.00 0.00 0.00 175.10 174.40 2qtw s VAL 81 N 1.81 4.83 0.41 2.92 1.01 0.10 -1.31 120.40 130.18 2qtw s VAL 81 Ca 0.07 -0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.10 2qtw s VAL 81 Cb -0.18 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2qtw s VAL 81 CO 0.11 0.35 0.58 -0.76 0.00 0.00 0.00 175.10 175.37 2qtw s LEU 82 N 1.26 3.73 0.55 3.92 1.43 -0.27 0.23 118.68 129.53 2qtw s LEU 82 Ca 0.06 -0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 52.81 2qtw s LEU 82 Cb -0.14 -2.81 -0.05 0.00 0.03 0.00 0.00 46.19 43.21 2qtw s LEU 82 CO 0.05 -0.67 1.19 -0.54 0.23 0.00 0.00 176.35 176.61 2qtw s LYS 83 N -4.37 3.23 0.30 1.70 1.02 0.80 -4.52 119.74 117.90 2qtw s LYS 83 Ca 0.50 1.79 -0.00 0.00 0.02 0.00 0.00 55.97 58.28 2qtw s LYS 83 Cb -0.10 -2.06 0.70 0.00 -0.52 0.00 0.00 37.83 35.85 2qtw s LYS 83 CO 0.34 -0.99 1.57 1.49 -0.92 0.00 0.00 175.35 176.85 2qtw h GLU 84 N 1.22 0.01 -0.35 1.68 4.81 -1.95 -0.80 114.58 119.21 2qtw h GLU 84 Ca -0.50 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2qtw h GLU 84 Cb 1.28 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2qtw h GLU 84 CO 0.57 0.01 0.00 0.39 -0.73 0.00 0.00 179.01 179.25 2qtw n GLU 85 N -5.50 1.98 -1.73 1.92 1.02 -1.26 -4.77 120.64 112.30 2qtw n GLU 85 Ca 0.22 -1.50 -0.42 0.00 -0.02 0.00 0.00 57.16 55.43 2qtw n GLU 85 Cb 0.71 -1.37 -0.02 0.00 -0.02 0.00 0.00 31.44 30.73 2qtw n GLU 85 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2qtw n THR 86 N 0.72 0.65 -3.31 2.62 -1.04 -0.31 -4.97 114.28 108.64 2qtw n THR 86 Ca 0.16 -0.16 -0.33 0.00 -2.04 0.00 0.00 64.05 61.67 2qtw n THR 86 Cb 0.38 -1.97 -0.06 0.00 -1.82 0.00 0.00 70.33 66.87 2qtw n THR 86 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 2qtw s HIS 87 N 0.42 3.46 0.29 -1.42 2.46 -1.26 -4.79 115.29 114.45 2qtw s HIS 87 Ca 0.68 1.03 0.03 0.00 0.47 0.00 0.00 55.06 57.27 2qtw s HIS 87 Cb -0.50 -2.38 0.72 0.00 -0.13 0.00 0.00 32.58 30.29 2qtw s HIS 87 CO 0.43 0.26 1.66 1.25 -2.47 0.00 0.00 174.74 175.87 2qtw h LEU 88 N 2.73 0.11 -1.05 8.88 5.85 -1.93 0.23 115.31 130.12 2qtw h LEU 88 Ca -0.48 0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.44 2qtw h LEU 88 Cb 1.18 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.38 2qtw h LEU 88 CO 0.67 -0.11 0.64 0.28 -0.34 0.00 0.00 178.44 179.58 2qtw h SER 89 N 0.26 1.11 -0.28 1.25 0.02 -1.99 -0.64 113.55 113.28 2qtw h SER 89 Ca 0.55 -0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 61.33 2qtw h SER 89 Cb 1.10 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 2qtw h SER 89 CO -0.61 0.80 -0.36 1.56 -1.14 0.00 0.00 176.83 177.08 2qtw h GLN 90 N 1.31 0.82 -0.48 3.45 4.20 -1.05 -1.55 115.11 121.81 2qtw h GLN 90 Ca 0.35 -0.41 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2qtw h GLN 90 Cb -0.15 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 2qtw h GLN 90 CO -0.08 1.04 0.26 0.77 -0.67 0.00 0.00 178.83 180.16 2qtw h SER 91 N 0.68 0.60 -0.43 1.46 0.02 -0.39 0.55 113.55 116.03 2qtw h SER 91 Ca 0.06 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 2qtw h SER 91 Cb 0.92 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 2qtw h SER 91 CO 0.08 0.51 0.13 -0.33 -1.14 0.00 0.00 176.83 176.09 2qtw h GLU 92 N 0.63 0.68 -0.70 3.45 5.08 -1.08 -0.30 114.58 122.34 2qtw h GLU 92 Ca 0.17 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2qtw h GLU 92 Cb 0.05 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 2qtw h GLU 92 CO -0.03 0.67 0.29 0.00 -1.00 0.00 0.00 179.01 178.94 2qtw h ARG 93 N 0.56 1.02 -0.63 2.33 3.08 -1.09 -1.35 114.38 118.31 2qtw h ARG 93 Ca 0.14 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 2qtw h ARG 93 Cb 0.28 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2qtw h ARG 93 CO -0.00 0.82 0.09 1.15 -1.07 0.00 0.00 179.97 180.96 2qtw h THR 94 N 1.00 1.26 -0.45 2.04 2.02 -0.51 -0.74 112.91 117.54 2qtw h THR 94 Ca 0.24 -1.04 0.01 0.00 0.77 0.00 0.00 66.41 66.39 2qtw h THR 94 Cb 0.17 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 2qtw h THR 94 CO -0.02 0.38 0.29 0.00 0.37 0.00 0.00 175.52 176.54 2qtw h ALA 95 N 1.03 0.56 -0.76 6.16 0.00 -0.77 -1.29 119.26 124.19 2qtw h ALA 95 Ca 0.19 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2qtw h ALA 95 Cb 0.45 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2qtw h ALA 95 CO 0.01 0.01 0.28 0.00 0.00 0.00 0.00 179.25 179.55 2qtw h ARG 96 N 0.60 1.15 -0.22 0.00 2.47 -1.05 -1.84 114.38 115.49 2qtw h ARG 96 Ca 0.16 -0.22 -0.00 0.00 -1.26 0.00 0.00 59.98 58.66 2qtw h ARG 96 Cb -0.06 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.07 2qtw h ARG 96 CO -0.04 0.95 0.13 -0.09 0.56 0.00 0.00 179.97 181.48 2qtw h ARG 97 N 1.11 0.30 -0.47 0.04 2.43 -0.80 -1.03 114.38 115.96 2qtw h ARG 97 Ca 0.25 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.47 2qtw h ARG 97 Cb 0.25 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.67 2qtw h ARG 97 CO -0.02 0.26 0.06 1.25 -1.51 0.00 0.00 179.97 180.02 2qtw h LEU 98 N 0.26 -0.07 -0.99 3.80 5.85 -1.06 0.14 115.31 123.23 2qtw h LEU 98 Ca 0.08 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 2qtw h LEU 98 Cb 0.04 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2qtw h LEU 98 CO -0.01 -0.01 0.02 1.56 -0.34 0.00 0.00 178.44 179.66 2qtw h GLN 99 N 0.18 0.75 -0.05 1.25 4.20 -0.88 0.27 115.11 120.83 2qtw h GLN 99 Ca 0.24 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2qtw h GLN 99 Cb 0.33 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2qtw h GLN 99 CO -0.34 0.75 -0.03 0.00 -0.67 0.00 0.00 178.83 178.54 2qtw h ALA 100 N 1.31 0.07 -0.60 3.87 0.00 -0.65 -0.72 119.26 122.54 2qtw h ALA 100 Ca 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2qtw h ALA 100 Cb 0.41 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2qtw h ALA 100 CO 0.01 -0.18 0.25 1.96 0.00 0.00 0.00 179.25 181.29 2qtw h GLN 101 N -0.29 0.87 0.12 0.00 4.20 -0.53 -1.53 115.11 117.95 2qtw h GLN 101 Ca 0.01 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 2qtw h GLN 101 Cb 0.47 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2qtw h GLN 101 CO 0.01 0.70 -0.06 0.00 -0.67 0.00 0.00 178.83 178.82 2qtw h ALA 102 N 1.42 -0.16 -0.89 3.87 0.00 -0.46 -3.07 119.26 119.97 2qtw h ALA 102 Ca 0.21 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.10 2qtw h ALA 102 Cb 0.15 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 2qtw h ALA 102 CO -0.02 -0.47 0.57 0.00 0.00 0.00 0.00 179.25 179.33 2qtw h ALA 103 N 0.47 1.71 0.00 0.00 0.00 -0.91 0.20 119.26 120.74 2qtw h ALA 103 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qtw h ALA 103 Cb 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2qtw h ALA 103 CO 0.03 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.36 2qtw h ARG 104 N 0.81 0.00 -0.23 0.00 3.08 -1.25 -1.91 114.38 114.87 2qtw h ARG 104 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 2qtw h ARG 104 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2qtw h ARG 104 CO -0.19 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.25 2qtw n ARG 105 N -3.09 2.28 -0.66 0.04 1.74 0.59 -4.94 116.66 112.63 2qtw n ARG 105 Ca -0.00 -1.90 0.00 0.00 -0.77 0.00 0.00 57.85 55.17 2qtw n ARG 105 Cb 0.25 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 2qtw n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qtw n GLY 106 N 1.38 0.63 3.62 -0.13 0.00 -0.72 -5.06 105.19 104.92 2qtw n GLY 106 Ca 0.17 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 2qtw n GLY 106 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qtw s TYR 107 N -2.00 3.21 0.24 1.61 2.02 -0.44 -4.97 117.35 117.02 2qtw s TYR 107 Ca 0.00 0.03 -0.30 0.00 -0.37 0.00 0.00 57.07 56.43 2qtw s TYR 107 Cb 0.00 -2.02 -0.09 0.00 -0.40 0.00 0.00 41.96 39.45 2qtw s TYR 107 CO 0.00 0.18 1.00 -0.51 -1.57 0.00 0.00 175.55 174.65 2qtw s LEU 108 N 0.17 4.60 0.11 -1.29 1.43 -1.26 -3.07 118.68 119.37 2qtw s LEU 108 Ca 0.03 2.05 0.03 0.00 -1.03 0.00 0.00 54.13 55.21 2qtw s LEU 108 Cb -0.13 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 2qtw s LEU 108 CO 0.01 0.02 -0.08 0.42 0.23 0.00 0.00 176.35 176.95 2qtw s THR 109 N -1.02 0.88 -0.03 5.49 -4.23 -1.26 -4.59 115.64 110.87 2qtw s THR 109 Ca 0.43 -1.94 -0.01 0.00 -1.18 0.00 0.00 61.69 58.99 2qtw s THR 109 Cb -0.28 -1.69 0.03 0.00 1.34 0.00 0.00 72.50 71.90 2qtw s THR 109 CO 0.35 -0.79 0.04 -0.75 -0.54 0.00 0.00 174.62 172.92 2qtw s LYS 110 N -3.67 0.05 -0.52 3.99 2.20 -0.21 -4.98 119.74 116.60 2qtw s LYS 110 Ca 0.13 0.24 -0.23 0.00 -0.36 0.00 0.00 55.97 55.75 2qtw s LYS 110 Cb 0.03 -0.46 0.04 0.00 -1.51 0.00 0.00 37.83 35.93 2qtw s LYS 110 CO -0.02 -0.24 0.85 0.42 -0.36 0.00 0.00 175.35 175.99 2qtw s ILE 111 N 1.61 4.54 -0.03 5.43 -1.09 -1.26 0.18 121.20 130.58 2qtw s ILE 111 Ca -0.02 0.17 0.13 0.00 -2.23 0.00 0.00 60.65 58.70 2qtw s ILE 111 Cb -0.13 -4.44 -0.01 0.00 -1.58 0.00 0.00 42.46 36.30 2qtw s ILE 111 CO -0.03 -0.96 1.44 -0.07 -1.23 0.00 0.00 174.94 174.08 2qtw h LEU 112 N 10.54 0.00 -7.00 2.97 3.38 -1.23 -3.47 115.31 120.49 2qtw h LEU 112 Ca -0.26 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.79 2qtw h LEU 112 Cb 1.08 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.57 2qtw h LEU 112 CO 1.04 0.63 0.52 -2.28 0.09 0.00 0.00 178.44 178.43 2qtw s HIS 113 N -2.99 -0.41 -0.17 1.13 5.04 -1.19 -4.96 115.29 111.74 2qtw s HIS 113 Ca 0.03 0.93 -0.01 0.00 -1.54 0.00 0.00 55.06 54.46 2qtw s HIS 113 Cb 0.09 0.40 -0.00 0.00 0.04 0.00 0.00 32.58 33.10 2qtw s HIS 113 CO 0.76 -0.24 -0.12 0.08 -2.34 0.00 0.00 174.74 172.88 2qtw s VAL 114 N -0.15 2.93 -0.01 0.89 1.01 -1.26 -0.39 120.40 123.41 2qtw s VAL 114 Ca 0.02 -0.67 -0.24 0.00 0.00 0.00 0.00 61.98 61.09 2qtw s VAL 114 Cb -0.04 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 2qtw s VAL 114 CO -0.05 0.49 0.73 -0.36 0.00 0.00 0.00 175.10 175.91 2qtw s PHE 115 N 0.97 3.65 -0.08 5.22 0.08 0.98 -4.96 117.98 123.84 2qtw s PHE 115 Ca -0.02 1.35 -0.22 0.00 0.12 0.00 0.00 56.93 58.16 2qtw s PHE 115 Cb -0.15 -2.80 0.05 0.00 -0.57 0.00 0.00 43.02 39.55 2qtw s PHE 115 CO -0.01 0.18 0.51 -3.38 -0.10 0.00 0.00 175.22 172.42 2qtw s HIS 116 N 0.37 -0.48 0.00 0.36 -3.43 -1.24 -2.74 115.29 108.13 2qtw s HIS 116 Ca 0.38 0.93 0.00 0.00 -0.80 0.00 0.00 55.06 55.57 2qtw s HIS 116 Cb -0.19 0.24 0.00 0.00 -1.43 0.00 0.00 32.58 31.20 2qtw s HIS 116 CO 0.20 -0.44 0.00 0.41 -2.00 0.00 0.00 174.74 172.91 2qtw n GLY 117 N 1.58 1.63 0.99 -1.38 0.00 -1.26 -4.83 105.19 101.92 2qtw n GLY 117 Ca -0.18 -0.47 -0.00 0.00 0.00 0.00 0.00 46.02 45.37 2qtw n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qtw n LEU 118 N 0.00 0.87 -4.38 0.99 4.77 -1.26 -5.06 117.00 112.93 2qtw n LEU 118 Ca 0.00 0.11 -0.32 0.00 -0.03 0.00 0.00 56.01 55.78 2qtw n LEU 118 Cb 0.00 -0.28 -0.15 0.00 -2.33 0.00 0.00 43.42 40.67 2qtw n LEU 118 CO 0.00 -0.68 -0.52 -0.76 -1.33 0.00 0.00 177.39 174.10 2qtw s LEU 119 N -6.53 2.34 0.26 2.23 1.43 -1.26 -5.12 118.68 112.03 2qtw s LEU 119 Ca -0.01 -0.36 -0.17 0.00 -1.03 0.00 0.00 54.13 52.55 2qtw s LEU 119 Cb 0.00 -1.43 -0.08 0.00 0.03 0.00 0.00 46.19 44.71 2qtw s LEU 119 CO 0.02 0.33 0.72 -2.16 0.23 0.00 0.00 176.35 175.48 2qtw s PRO 120 N -0.71 4.13 0.00 1.29 0.04 -1.26 -3.59 135.00 134.90 2qtw s PRO 120 Ca 0.11 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.91 2qtw s PRO 120 Cb -0.10 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.74 2qtw s PRO 120 CO -0.00 0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.75 2qtw n GLY 121 N 0.27 -0.24 3.35 0.56 0.00 -1.11 -1.11 105.19 106.91 2qtw n GLY 121 Ca 0.00 -1.20 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 2qtw n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qtw s PHE 122 N -3.15 -0.31 -0.17 1.61 -0.71 -0.43 -0.02 117.98 114.80 2qtw s PHE 122 Ca 0.00 0.03 -0.05 0.00 -1.04 0.00 0.00 56.93 55.87 2qtw s PHE 122 Cb 0.00 0.36 -0.03 0.00 -1.21 0.00 0.00 43.02 42.14 2qtw s PHE 122 CO 0.00 -0.76 0.01 -1.17 -1.34 0.00 0.00 175.22 171.96 2qtw s LEU 123 N -2.79 3.46 -0.03 -1.99 2.96 0.48 -0.58 118.68 120.20 2qtw s LEU 123 Ca 0.02 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 2qtw s LEU 123 Cb 0.01 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 44.85 2qtw s LEU 123 CO -0.12 0.16 -0.07 0.54 -1.32 0.00 0.00 176.35 175.53 2qtw s VAL 124 N 0.46 0.65 -0.36 1.68 0.11 0.25 -0.62 120.40 122.58 2qtw s VAL 124 Ca -0.01 -0.27 -0.15 0.00 -2.93 0.00 0.00 61.98 58.62 2qtw s VAL 124 Cb -0.14 -0.60 -0.01 0.00 -1.53 0.00 0.00 36.38 34.11 2qtw s VAL 124 CO 0.02 0.22 0.36 -0.75 -3.33 0.00 0.00 175.10 171.61 2qtw s LYS 125 N 0.33 3.45 0.17 1.54 2.20 0.13 -0.44 119.74 127.12 2qtw s LYS 125 Ca -0.05 -0.53 -0.23 0.00 -0.36 0.00 0.00 55.97 54.80 2qtw s LYS 125 Cb -0.09 -3.84 0.06 0.00 -1.51 0.00 0.00 37.83 32.45 2qtw s LYS 125 CO 0.00 -0.58 0.73 0.00 -0.36 0.00 0.00 175.35 175.15 2qtw s MET 126 N 1.98 1.37 0.35 4.03 0.23 -0.53 -1.04 119.30 125.69 2qtw s MET 126 Ca 0.11 -0.64 -0.27 0.00 -1.03 0.00 0.00 55.69 53.85 2qtw s MET 126 Cb -0.17 0.54 -0.09 0.00 -1.53 0.00 0.00 34.83 33.58 2qtw s MET 126 CO 0.12 -0.61 1.23 0.45 -2.03 0.00 0.00 175.02 174.17 2qtw s SER 127 N -2.79 6.72 0.50 -1.18 0.15 -1.26 -4.31 113.70 111.52 2qtw s SER 127 Ca 0.06 2.51 0.34 0.00 0.70 0.00 0.00 55.95 59.56 2qtw s SER 127 Cb -0.03 -2.63 1.67 0.00 -1.71 0.00 0.00 66.02 63.32 2qtw s SER 127 CO -0.04 -0.55 2.02 1.23 1.20 0.00 0.00 173.24 177.10 2qtw h GLY 128 N 3.13 0.00 -0.30 9.45 0.00 -1.99 -1.99 103.07 111.37 2qtw h GLY 128 Ca -0.49 0.00 0.30 0.00 0.00 0.00 0.00 47.33 47.15 2qtw h GLY 128 CO 0.64 0.00 0.72 -0.55 0.00 0.00 0.00 176.54 177.36 2qtw h ASP 129 N 0.00 0.34 -0.01 0.19 5.19 -2.04 -0.87 116.42 119.23 2qtw h ASP 129 Ca 0.00 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 2qtw h ASP 129 Cb 0.19 0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.72 2qtw h ASP 129 CO 0.00 0.04 0.00 0.18 -3.12 0.00 0.00 179.24 176.34 2qtw n LEU 130 N -4.56 0.12 -0.21 1.55 4.77 -0.75 -4.29 117.00 113.62 2qtw n LEU 130 Ca 0.27 -0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 56.11 2qtw n LEU 130 Cb 1.01 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 42.12 2qtw n LEU 130 CO 0.27 0.02 0.83 -0.07 -1.33 0.00 0.00 177.39 177.12 2qtw h LEU 131 N 0.17 1.03 -0.73 2.23 3.38 -1.35 0.72 115.31 120.76 2qtw h LEU 131 Ca 0.00 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.70 2qtw h LEU 131 Cb 0.04 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2qtw h LEU 131 CO 0.00 1.08 0.46 -0.33 0.09 0.00 0.00 178.44 179.74 2qtw h GLU 132 N 0.96 0.89 -0.21 1.13 5.08 -1.81 0.36 114.58 120.97 2qtw h GLU 132 Ca 0.17 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2qtw h GLU 132 Cb 0.54 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2qtw h GLU 132 CO 0.03 0.59 0.13 1.25 -1.00 0.00 0.00 179.01 180.01 2qtw h LEU 133 N 0.91 0.25 -1.03 1.33 5.85 -1.72 -3.13 115.31 117.77 2qtw h LEU 133 Ca 0.29 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 2qtw h LEU 133 Cb -0.01 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 2qtw h LEU 133 CO -0.10 0.20 0.42 0.00 -0.34 0.00 0.00 178.44 178.63 2qtw h ALA 134 N 1.05 1.26 0.00 1.25 0.00 -0.49 -1.39 119.26 120.94 2qtw h ALA 134 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qtw h ALA 134 Cb -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.47 2qtw h ALA 134 CO -0.02 0.60 0.00 -0.07 0.00 0.00 0.00 179.25 179.76 2qtw h LEU 135 N 1.11 0.00 -1.29 0.00 3.38 -0.88 -2.15 115.31 115.47 2qtw h LEU 135 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2qtw h LEU 135 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2qtw h LEU 135 CO -0.04 0.00 -0.01 0.29 0.09 0.00 0.00 178.44 178.77 2qtw n LYS 136 N -2.78 1.88 -1.61 1.13 5.02 -0.53 -4.69 118.16 116.59 2qtw n LYS 136 Ca -0.01 -1.29 -0.34 0.00 -2.02 0.00 0.00 58.31 54.65 2qtw n LYS 136 Cb 0.18 -1.47 0.07 0.00 -0.02 0.00 0.00 35.03 33.78 2qtw n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qtw s LEU 137 N -2.01 3.36 0.63 -0.35 1.43 -0.81 -4.96 118.68 115.97 2qtw s LEU 137 Ca 0.34 2.18 -0.18 0.00 -1.03 0.00 0.00 54.13 55.44 2qtw s LEU 137 Cb 0.21 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.84 2qtw s LEU 137 CO 0.33 -1.93 1.21 -2.16 0.23 0.00 0.00 176.35 174.02 2qtw s PRO 138 N -3.98 2.77 0.00 1.29 0.04 -1.26 -3.04 135.00 130.82 2qtw s PRO 138 Ca 0.71 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.54 2qtw s PRO 138 Cb -0.25 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2qtw s PRO 138 CO 0.43 -1.36 0.00 0.72 0.04 0.00 0.00 177.00 176.83 2qtw n HIS 139 N -1.89 0.00 -2.20 0.56 8.25 -1.26 -4.96 115.22 113.71 2qtw n HIS 139 Ca 0.13 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.17 2qtw n HIS 139 Cb 0.50 -0.41 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 2qtw n HIS 139 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2qtw s VAL 140 N -2.72 3.45 -0.18 1.59 1.01 -1.17 -0.14 120.40 122.24 2qtw s VAL 140 Ca 0.00 1.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.85 2qtw s VAL 140 Cb 0.00 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.64 2qtw s VAL 140 CO 0.00 0.06 -0.10 -0.67 0.00 0.00 0.00 175.10 174.39 2qtw n ASP 141 N 4.24 1.86 -3.71 3.32 -0.08 0.13 -4.56 116.55 117.76 2qtw n ASP 141 Ca 0.12 0.50 -0.09 0.00 -1.51 0.00 0.00 54.79 53.81 2qtw n ASP 141 Cb 0.43 -0.88 -0.02 0.00 2.34 0.00 0.00 41.12 42.99 2qtw n ASP 141 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 2qtw s TYR 142 N -2.39 -0.30 -0.06 -0.67 1.13 -0.78 -2.75 117.35 111.52 2qtw s TYR 142 Ca -0.23 -0.07 0.03 0.00 -1.41 0.00 0.00 57.07 55.39 2qtw s TYR 142 Cb 0.05 0.65 0.00 0.00 -1.10 0.00 0.00 41.96 41.56 2qtw s TYR 142 CO 0.39 -1.10 -0.16 0.42 -2.51 0.00 0.00 175.55 172.59 2qtw s ILE 143 N -3.86 1.41 -0.09 -3.49 1.01 -0.07 0.03 121.20 116.13 2qtw s ILE 143 Ca 0.08 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 60.10 2qtw s ILE 143 Cb -0.04 -1.24 -0.00 0.00 0.01 0.00 0.00 42.46 41.19 2qtw s ILE 143 CO -0.00 0.41 -0.23 -0.70 0.00 0.00 0.00 174.94 174.43 2qtw s GLU 144 N 0.32 2.77 0.33 2.79 2.12 0.13 -0.82 118.70 126.33 2qtw s GLU 144 Ca -0.10 -0.82 -0.28 0.00 0.36 0.00 0.00 54.97 54.12 2qtw s GLU 144 Cb -0.14 -2.15 -0.10 0.00 0.26 0.00 0.00 34.13 32.00 2qtw s GLU 144 CO 0.04 0.20 1.27 -2.00 -0.54 0.00 0.00 175.26 174.23 2qtw s GLU 145 N 0.29 4.35 0.78 4.30 2.12 -0.51 -0.10 118.70 129.93 2qtw s GLU 145 Ca -0.16 2.15 -0.12 0.00 0.36 0.00 0.00 54.97 57.20 2qtw s GLU 145 Cb -0.17 -3.05 0.07 0.00 0.26 0.00 0.00 34.13 31.24 2qtw s GLU 145 CO 0.07 -0.16 1.14 0.34 -0.54 0.00 0.00 175.26 176.11 2qtw s ASP 146 N -0.58 4.08 0.28 -1.70 2.15 0.05 -4.67 116.67 116.28 2qtw s ASP 146 Ca 0.49 2.08 -0.14 0.00 0.43 0.00 0.00 52.55 55.41 2qtw s ASP 146 Cb -0.38 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 39.69 2qtw s ASP 146 CO 0.51 -2.33 0.57 -0.94 -0.17 0.00 0.00 175.17 172.81 2qtw s SER 147 N -2.73 -0.03 0.12 -0.34 1.04 -1.26 -1.12 113.70 109.38 2qtw s SER 147 Ca 0.67 -0.92 -0.14 0.00 0.48 0.00 0.00 55.95 56.04 2qtw s SER 147 Cb -0.22 0.66 -0.07 0.00 0.10 0.00 0.00 66.02 66.49 2qtw s SER 147 CO 0.52 -1.26 0.50 -0.44 0.98 0.00 0.00 173.24 173.54 2qtw s SER 148 N -3.02 6.79 0.23 7.02 0.01 0.11 -4.89 113.70 119.95 2qtw s SER 148 Ca 0.20 1.01 0.08 0.00 1.31 0.00 0.00 55.95 58.55 2qtw s SER 148 Cb -0.02 -2.26 -0.05 0.00 0.21 0.00 0.00 66.02 63.89 2qtw s SER 148 CO 0.10 0.15 -0.15 0.68 0.41 0.00 0.00 173.24 174.43 2qtw s VAL 149 N -1.40 1.87 -0.02 3.43 -7.23 -1.26 -4.99 120.40 110.80 2qtw s VAL 149 Ca 0.35 -2.24 -0.03 0.00 -1.81 0.00 0.00 61.98 58.25 2qtw s VAL 149 Cb -0.15 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.66 2qtw s VAL 149 CO 0.18 -0.53 0.07 -0.36 -0.31 0.00 0.00 175.10 174.16 2qtw s PHE 150 N -2.89 -0.01 0.23 2.82 0.08 -1.26 -5.13 117.98 111.82 2qtw s PHE 150 Ca 0.25 0.04 -0.31 0.00 0.12 0.00 0.00 56.93 57.02 2qtw s PHE 150 Cb -0.01 -0.02 -0.14 0.00 -0.57 0.00 0.00 43.02 42.28 2qtw s PHE 150 CO 0.09 -0.11 1.38 0.00 -0.10 0.00 0.00 175.22 176.48 2qtw n ALA 151 N 2.55 0.85 0.58 5.36 0.00 -1.26 -5.37 120.51 123.22 2qtw n ALA 151 Ca -0.16 0.42 0.07 0.00 0.00 0.00 0.00 53.44 53.77 2qtw n ALA 151 Cb 0.58 -2.24 0.06 0.00 0.00 0.00 0.00 19.45 17.85 2qtw n ALA 151 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54