#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dft s PRO 3 N 0.00 3.55 0.28 0.00 0.02 -0.98 -4.42 135.00 133.46 2dft s PRO 3 Ca 0.00 2.06 0.07 0.00 0.02 0.00 0.00 61.00 63.15 2dft s PRO 3 Cb 0.00 -2.43 0.41 0.00 0.02 0.00 0.00 34.50 32.51 2dft s PRO 3 CO 0.00 -0.81 1.67 0.87 -0.33 0.00 0.00 177.00 178.40 2dft h LYS 4 N 1.95 0.20 -3.29 5.54 1.79 0.70 -3.44 116.57 120.01 2dft h LYS 4 Ca -0.50 -0.11 -0.14 0.00 -2.18 0.00 0.00 60.65 57.72 2dft h LYS 4 Cb 1.27 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.70 2dft h LYS 4 CO 0.59 0.64 -0.42 0.00 -1.08 0.00 0.00 179.45 179.18 2dft s ALA 5 N -4.00 -0.52 -0.26 3.86 0.00 -1.24 -4.84 121.76 114.77 2dft s ALA 5 Ca -0.04 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.15 2dft s ALA 5 Cb 0.13 -0.03 0.06 0.00 0.00 0.00 0.00 23.12 23.28 2dft s ALA 5 CO 0.77 -0.19 -0.09 0.08 0.00 0.00 0.00 175.76 176.33 2dft s VAL 6 N -0.95 2.02 -0.12 0.00 1.01 -0.84 -0.65 120.40 120.87 2dft s VAL 6 Ca -0.10 -1.57 -0.09 0.00 0.00 0.00 0.00 61.98 60.22 2dft s VAL 6 Cb -0.05 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 2dft s VAL 6 CO 0.02 -0.07 0.19 -0.76 0.00 0.00 0.00 175.10 174.48 2dft s LEU 7 N 1.16 4.36 0.15 3.92 1.43 0.64 0.21 118.68 130.55 2dft s LEU 7 Ca -0.07 0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 53.51 2dft s LEU 7 Cb -0.20 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 2dft s LEU 7 CO -0.05 0.33 0.09 0.68 0.23 0.00 0.00 176.35 177.63 2dft s VAL 8 N -0.67 0.07 0.00 -1.59 -7.23 -0.11 -2.21 120.40 108.66 2dft s VAL 8 Ca 0.15 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 2dft s VAL 8 Cb -0.13 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.66 2dft s VAL 8 CO 0.04 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.12 2dft n GLY 9 N -0.15 1.52 3.67 2.32 0.00 -1.26 -1.05 105.19 110.24 2dft n GLY 9 Ca -0.04 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 2dft n GLY 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dft n LEU 10 N 0.00 4.48 -4.66 0.99 4.77 -1.26 -4.79 117.00 116.52 2dft n LEU 10 Ca 0.00 0.66 -0.50 0.00 -0.03 0.00 0.00 56.01 56.15 2dft n LEU 10 Cb 0.00 -1.49 -0.05 0.00 -2.33 0.00 0.00 43.42 39.55 2dft n LEU 10 CO 0.00 -1.66 1.25 -0.81 -1.33 0.00 0.00 177.39 174.85 2dft n PRO 11 N -2.52 1.82 -0.67 3.23 -0.04 -1.26 0.11 135.00 135.68 2dft n PRO 11 Ca 0.14 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 2dft n PRO 11 Cb 0.50 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 2dft n PRO 11 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dft n GLY 12 N 3.68 0.67 0.19 0.55 0.00 -1.26 -4.84 105.19 104.17 2dft n GLY 12 Ca 0.20 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.25 2dft n GLY 12 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dft h SER 13 N 0.00 0.00 0.00 1.61 4.64 0.46 -3.45 113.55 116.81 2dft h SER 13 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dft h SER 13 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2dft h SER 13 CO 0.00 0.39 0.00 0.61 -0.87 0.00 0.00 176.83 176.96 2dft n GLY 14 N 0.06 1.39 0.26 -0.77 0.00 -1.26 -4.90 105.19 99.97 2dft n GLY 14 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 2dft n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dft n LYS 15 N -0.03 -0.08 0.12 1.61 5.02 -1.26 -0.84 118.16 122.70 2dft n LYS 15 Ca 0.00 1.10 -0.24 0.00 -2.02 0.00 0.00 58.31 57.16 2dft n LYS 15 Cb 0.00 -1.65 -0.16 0.00 -0.02 0.00 0.00 35.03 33.21 2dft n LYS 15 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2dft h SER 16 N 0.00 0.75 0.23 4.39 0.02 -1.97 -1.68 113.55 115.29 2dft h SER 16 Ca 0.33 -0.93 -0.01 0.00 -0.84 0.00 0.00 61.79 60.34 2dft h SER 16 Cb 0.51 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2dft h SER 16 CO -0.73 1.68 -0.11 0.74 -1.14 0.00 0.00 176.83 177.27 2dft h THR 17 N 0.05 0.00 -1.34 -2.27 2.02 -1.83 0.46 112.91 110.00 2dft h THR 17 Ca -0.26 -0.44 0.42 0.00 0.77 0.00 0.00 66.41 66.90 2dft h THR 17 Cb 2.08 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 68.37 2dft h THR 17 CO 0.24 0.00 0.88 0.40 0.37 0.00 0.00 175.52 177.41 2dft h ILE 18 N -0.75 0.17 -0.13 3.11 1.08 -1.19 -2.74 117.51 117.05 2dft h ILE 18 Ca -0.03 -0.04 -0.12 0.00 -0.39 0.00 0.00 64.86 64.29 2dft h ILE 18 Cb 0.24 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.05 2dft h ILE 18 CO 0.05 0.02 -0.37 1.23 -0.69 0.00 0.00 178.15 178.39 2dft h GLY 19 N 0.11 0.53 0.90 5.37 0.00 -0.64 -1.72 103.07 107.61 2dft h GLY 19 Ca 0.79 -0.68 0.04 0.00 0.00 0.00 0.00 47.33 47.48 2dft h GLY 19 CO -0.35 0.60 0.65 -0.09 0.00 0.00 0.00 176.54 177.35 2dft h ARG 20 N 0.08 1.21 0.06 4.80 1.12 0.18 0.78 114.38 122.61 2dft h ARG 20 Ca -0.01 -0.07 -0.18 0.00 -1.11 0.00 0.00 59.98 58.61 2dft h ARG 20 Cb 0.99 -0.27 0.02 0.00 -0.01 0.00 0.00 29.97 30.69 2dft h ARG 20 CO 0.08 0.80 -0.74 0.00 -3.11 0.00 0.00 179.97 177.00 2dft h ARG 21 N 1.24 0.39 0.00 0.20 3.08 -1.40 -2.88 114.38 115.02 2dft h ARG 21 Ca 0.39 -0.50 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 2dft h ARG 21 Cb 0.01 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2dft h ARG 21 CO -0.12 1.18 -0.42 1.25 -1.07 0.00 0.00 179.97 180.79 2dft h LEU 22 N -0.17 0.00 -0.53 3.04 5.85 -1.10 -1.50 115.31 120.90 2dft h LEU 22 Ca -0.11 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.45 2dft h LEU 22 Cb 1.49 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 2dft h LEU 22 CO 0.14 0.42 -0.58 0.00 -0.34 0.00 0.00 178.44 178.08 2dft h ALA 23 N 1.58 0.72 -0.05 1.25 0.00 -0.86 -2.24 119.26 119.65 2dft h ALA 23 Ca -0.00 -0.53 -0.19 0.00 0.00 0.00 0.00 54.91 54.19 2dft h ALA 23 Cb 0.81 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2dft h ALA 23 CO 0.05 0.70 -0.78 0.87 0.00 0.00 0.00 179.25 180.10 2dft h LYS 24 N 0.36 0.36 -0.14 0.00 1.57 -1.22 0.16 116.57 117.66 2dft h LYS 24 Ca -0.00 -0.32 -0.14 0.00 -1.87 0.00 0.00 60.65 58.32 2dft h LYS 24 Cb 1.12 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2dft h LYS 24 CO 0.10 0.97 -0.45 0.00 -0.57 0.00 0.00 179.45 179.51 2dft h ALA 25 N 0.93 0.25 0.00 3.86 0.00 -1.16 -1.81 119.26 121.33 2dft h ALA 25 Ca -0.04 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 2dft h ALA 25 Cb 1.36 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2dft h ALA 25 CO 0.13 0.39 -0.21 -0.07 0.00 0.00 0.00 179.25 179.49 2dft h LEU 26 N 0.19 0.00 0.00 0.00 3.38 -1.47 -3.47 115.31 113.94 2dft h LEU 26 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2dft h LEU 26 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2dft h LEU 26 CO 0.10 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.44 2dft n GLY 27 N -0.92 0.85 0.00 0.83 0.00 -0.68 -5.10 105.19 100.17 2dft n GLY 27 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2dft n GLY 27 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2dft n VAL 28 N -2.70 0.00 -4.56 1.61 0.24 0.51 -4.99 118.33 108.45 2dft n VAL 28 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.99 2dft n VAL 28 Cb 0.16 -0.04 -0.12 0.00 -1.47 0.00 0.00 33.84 32.38 2dft n VAL 28 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2dft s GLY 29 N -0.56 1.63 0.32 7.63 0.00 -1.26 -4.29 107.32 110.79 2dft s GLY 29 Ca 0.00 -1.17 -0.13 0.00 0.00 0.00 0.00 44.72 43.42 2dft s GLY 29 CO 0.00 -1.07 0.70 -2.27 0.00 0.00 0.00 173.10 170.46 2dft s LEU 30 N -1.54 4.05 -0.12 0.66 2.96 -1.26 -2.39 118.68 121.03 2dft s LEU 30 Ca 0.16 1.18 -0.02 0.00 -0.22 0.00 0.00 54.13 55.23 2dft s LEU 30 Cb -0.11 -3.99 0.04 0.00 0.50 0.00 0.00 46.19 42.64 2dft s LEU 30 CO 0.07 -0.21 0.01 -0.22 -1.32 0.00 0.00 176.35 174.68 2dft s LEU 31 N -3.09 0.85 -0.10 -0.68 0.20 0.14 -4.93 118.68 111.06 2dft s LEU 31 Ca 0.52 -0.39 -0.22 0.00 0.69 0.00 0.00 54.13 54.73 2dft s LEU 31 Cb -0.10 -0.52 -0.03 0.00 -0.43 0.00 0.00 46.19 45.10 2dft s LEU 31 CO 0.20 -0.23 0.65 -0.62 -0.29 0.00 0.00 176.35 176.06 2dft s ASP 32 N 1.91 6.88 0.38 3.68 -1.08 -1.26 -1.30 116.67 125.88 2dft s ASP 32 Ca 0.03 1.06 0.20 0.00 -0.52 0.00 0.00 52.55 53.32 2dft s ASP 32 Cb -0.14 -2.38 0.63 0.00 -1.46 0.00 0.00 42.92 39.56 2dft s ASP 32 CO -0.07 -0.13 1.70 0.71 0.52 0.00 0.00 175.17 177.90 2dft h THR 33 N 4.84 0.75 -0.66 1.71 1.35 -1.58 0.63 112.91 119.94 2dft h THR 33 Ca -0.39 -1.52 -0.07 0.00 -0.55 0.00 0.00 66.41 63.88 2dft h THR 33 Cb 1.18 1.98 -0.03 0.00 -1.73 0.00 0.00 68.15 69.55 2dft h THR 33 CO 0.76 0.34 0.15 0.44 -0.25 0.00 0.00 175.52 176.96 2dft h ASP 34 N 0.00 1.02 -0.33 5.36 3.32 -1.93 0.18 116.42 124.04 2dft h ASP 34 Ca -0.00 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 56.74 2dft h ASP 34 Cb 0.95 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 2dft h ASP 34 CO 0.04 0.99 -0.05 0.58 -1.72 0.00 0.00 179.24 179.09 2dft h VAL 35 N 1.00 1.27 -0.82 -1.35 2.07 -0.69 -2.37 116.25 115.35 2dft h VAL 35 Ca 0.21 -1.06 0.16 0.00 0.82 0.00 0.00 66.70 66.83 2dft h VAL 35 Cb 0.38 1.31 -0.10 0.00 -1.52 0.00 0.00 31.29 31.35 2dft h VAL 35 CO 0.00 0.35 0.37 0.00 0.02 0.00 0.00 177.57 178.31 2dft h ALA 36 N 0.82 1.23 -0.01 1.67 0.00 0.39 0.45 119.26 123.80 2dft h ALA 36 Ca 0.09 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2dft h ALA 36 Cb 0.52 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.39 2dft h ALA 36 CO 0.03 -0.20 -0.33 0.82 0.00 0.00 0.00 179.25 179.57 2dft h ILE 37 N 0.50 1.51 0.00 0.00 2.04 -0.33 0.81 117.51 122.03 2dft h ILE 37 Ca 0.47 -1.95 0.00 0.00 1.00 0.00 0.00 64.86 64.38 2dft h ILE 37 Cb 0.74 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 2dft h ILE 37 CO -0.42 0.54 0.00 -1.84 0.00 0.00 0.00 178.15 176.43 2dft n GLU 38 N -4.44 0.13 0.02 2.37 0.28 -0.92 -3.17 120.64 114.91 2dft n GLU 38 Ca -0.10 0.14 -0.02 0.00 -0.16 0.00 0.00 57.16 57.03 2dft n GLU 38 Cb 0.54 -1.66 -0.01 0.00 1.43 0.00 0.00 31.44 31.74 2dft n GLU 38 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 2dft h GLN 39 N 0.00 -0.10 -2.57 3.44 4.15 0.68 -2.91 115.11 117.80 2dft h GLN 39 Ca 0.00 0.01 -0.79 0.00 0.77 0.00 0.00 58.65 58.64 2dft h GLN 39 Cb 0.58 0.02 -0.22 0.00 0.21 0.00 0.00 27.48 28.07 2dft h GLN 39 CO 0.00 -0.06 1.46 2.89 -1.93 0.00 0.00 178.83 181.19 2dft n ARG 40 N -3.32 4.90 0.00 1.69 -4.01 0.27 -1.43 116.66 114.77 2dft n ARG 40 Ca -0.01 -4.22 0.00 0.00 -1.04 0.00 0.00 57.85 52.58 2dft n ARG 40 Cb 0.04 -2.56 0.00 0.00 -3.04 0.00 0.00 32.46 26.90 2dft n ARG 40 CO 0.00 0.00 0.00 0.25 -3.04 0.00 0.00 177.63 174.84 2dft n THR 41 N 0.96 0.00 -1.63 8.89 -2.24 -1.22 -4.91 114.28 114.13 2dft n THR 41 Ca 0.47 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 62.09 2dft n THR 41 Cb 0.28 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.45 2dft n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dft n GLY 42 N 0.00 1.19 3.45 3.38 0.00 -0.51 -4.96 105.19 107.73 2dft n GLY 42 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2dft n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dft s ARG 43 N -3.65 1.76 0.40 1.61 0.52 -1.23 -5.05 118.95 113.31 2dft s ARG 43 Ca 0.00 -1.17 -0.25 0.00 -0.52 0.00 0.00 55.73 53.79 2dft s ARG 43 Cb 0.00 -2.07 -0.08 0.00 0.52 0.00 0.00 34.95 33.32 2dft s ARG 43 CO 0.00 0.49 1.16 -1.54 0.02 0.00 0.00 175.30 175.43 2dft s SER 44 N -1.90 6.53 0.34 0.23 1.04 -1.26 -4.05 113.70 114.63 2dft s SER 44 Ca 0.16 2.33 0.08 0.00 0.48 0.00 0.00 55.95 59.00 2dft s SER 44 Cb -0.10 -2.61 0.77 0.00 0.10 0.00 0.00 66.02 64.18 2dft s SER 44 CO 0.07 -0.67 1.86 0.40 0.98 0.00 0.00 173.24 175.89 2dft h ILE 45 N 2.32 0.84 0.41 -1.02 2.04 -1.93 0.16 117.51 120.31 2dft h ILE 45 Ca -0.49 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 2dft h ILE 45 Cb 1.23 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2dft h ILE 45 CO 0.62 0.14 -0.20 0.00 0.00 0.00 0.00 178.15 178.71 2dft h ALA 46 N 1.59 -0.55 0.00 1.87 0.00 -1.98 -0.47 119.26 119.73 2dft h ALA 46 Ca 0.46 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2dft h ALA 46 Cb 0.70 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2dft h ALA 46 CO -0.22 -0.75 0.56 -0.25 0.00 0.00 0.00 179.25 178.58 2dft n ASP 47 N -5.28 0.00 -0.02 0.00 8.00 0.53 -1.01 116.55 118.77 2dft n ASP 47 Ca -0.11 0.15 -0.06 0.00 0.71 0.00 0.00 54.79 55.49 2dft n ASP 47 Cb 0.26 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.34 2dft n ASP 47 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2dft n ILE 48 N -1.29 1.15 0.00 0.53 5.41 -0.29 -3.72 119.36 121.15 2dft n ILE 48 Ca 0.00 0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.94 2dft n ILE 48 Cb 0.56 -1.82 0.00 0.00 -0.71 0.00 0.00 39.64 37.66 2dft n ILE 48 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2dft n PHE 49 N -3.77 0.00 0.00 1.39 3.72 -0.59 0.27 117.46 118.48 2dft n PHE 49 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 2dft n PHE 49 Cb 0.32 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 2dft n PHE 49 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dft n ALA 50 N -1.09 0.26 0.00 4.37 0.00 -0.18 -2.30 120.51 121.58 2dft n ALA 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2dft n ALA 50 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.26 2dft n ALA 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2dft n THR 51 N -0.75 0.00 -0.43 0.00 -1.04 -0.71 -4.94 114.28 106.40 2dft n THR 51 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2dft n THR 51 Cb 0.13 -0.30 0.00 0.00 -1.82 0.00 0.00 70.33 68.34 2dft n THR 51 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2dft n ASP 52 N -1.58 0.00 0.00 8.00 3.85 0.14 -5.02 116.55 121.94 2dft n ASP 52 Ca 0.00 -0.28 0.00 0.00 -0.71 0.00 0.00 54.79 53.80 2dft n ASP 52 Cb 0.24 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.01 2dft n ASP 52 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2dft n GLY 53 N 0.00 2.31 0.00 6.12 0.00 -0.97 -4.08 105.19 108.57 2dft n GLY 53 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2dft n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dft n GLU 54 N 1.74 0.00 -0.05 1.61 -0.58 -1.26 -0.97 120.64 121.13 2dft n GLU 54 Ca 0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 2dft n GLU 54 Cb 0.00 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 30.78 2dft n GLU 54 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2dft h GLN 55 N 0.00 -0.48 -0.38 3.49 7.50 -1.98 0.71 115.11 123.96 2dft h GLN 55 Ca 0.00 0.03 0.03 0.00 0.50 0.00 0.00 58.65 59.21 2dft h GLN 55 Cb 0.00 0.11 -0.03 0.00 0.05 0.00 0.00 27.48 27.61 2dft h GLN 55 CO 0.00 -0.32 0.20 1.49 -1.50 0.00 0.00 178.83 178.70 2dft h GLU 56 N -0.50 0.40 0.21 1.46 4.57 -1.67 -1.92 114.58 117.13 2dft h GLU 56 Ca 0.06 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2dft h GLU 56 Cb 0.64 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 2dft h GLU 56 CO -0.49 0.26 -0.18 0.35 -1.18 0.00 0.00 179.01 177.78 2dft h PHE 57 N 0.41 -0.46 -0.14 0.92 3.57 -0.00 0.55 116.94 121.78 2dft h PHE 57 Ca 0.16 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.70 2dft h PHE 57 Cb 0.05 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2dft h PHE 57 CO -0.09 -0.27 0.17 0.00 -2.23 0.00 0.00 178.31 175.88 2dft h ARG 58 N -0.41 0.00 0.00 1.11 2.47 0.40 1.39 114.38 119.34 2dft h ARG 58 Ca -0.01 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2dft h ARG 58 Cb 0.37 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.69 2dft h ARG 58 CO -0.02 0.00 -0.01 -0.09 0.56 0.00 0.00 179.97 180.41 2dft h ARG 59 N 0.00 0.00 -0.75 0.04 1.12 -0.22 -1.57 114.38 113.00 2dft h ARG 59 Ca 0.07 0.00 0.13 0.00 -1.11 0.00 0.00 59.98 59.07 2dft h ARG 59 Cb 0.40 0.00 -0.14 0.00 -0.01 0.00 0.00 29.97 30.22 2dft h ARG 59 CO -0.00 0.68 -0.32 0.82 -3.11 0.00 0.00 179.97 178.04 2dft h ILE 60 N -1.00 0.13 -0.06 1.20 2.04 0.10 -1.02 117.51 118.91 2dft h ILE 60 Ca -0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 2dft h ILE 60 Cb 0.69 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 2dft h ILE 60 CO -0.00 0.00 -0.52 -0.08 0.00 0.00 0.00 178.15 177.55 2dft h GLU 61 N -0.08 -0.59 -0.99 2.37 4.81 0.18 -1.79 114.58 118.48 2dft h GLU 61 Ca 0.30 0.04 0.19 0.00 -0.13 0.00 0.00 59.36 59.76 2dft h GLU 61 Cb 0.57 0.13 -0.18 0.00 0.63 0.00 0.00 28.75 29.90 2dft h GLU 61 CO -0.80 -0.39 -0.28 1.49 -0.73 0.00 0.00 179.01 178.30 2dft h GLU 62 N -0.61 -0.00 -0.23 1.92 4.81 -0.55 -1.43 114.58 118.49 2dft h GLU 62 Ca 0.02 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 2dft h GLU 62 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2dft h GLU 62 CO -0.38 -0.00 -0.42 -0.44 -0.73 0.00 0.00 179.01 177.04 2dft h ASP 63 N -0.00 0.77 -0.43 1.04 5.19 -0.51 0.13 116.42 122.61 2dft h ASP 63 Ca 0.45 -0.53 0.08 0.00 -0.62 0.00 0.00 57.03 56.40 2dft h ASP 63 Cb 0.70 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 2dft h ASP 63 CO -1.01 1.16 0.29 0.58 -3.12 0.00 0.00 179.24 177.14 2dft h VAL 64 N 0.41 0.91 0.04 -1.35 2.07 -0.73 -1.93 116.25 115.66 2dft h VAL 64 Ca 0.01 -0.09 -0.30 0.00 0.82 0.00 0.00 66.70 67.15 2dft h VAL 64 Cb 1.02 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 2dft h VAL 64 CO 0.09 0.05 -1.70 0.58 0.02 0.00 0.00 177.57 176.61 2dft h VAL 65 N 0.25 0.89 -0.68 2.57 2.07 -0.21 -2.31 116.25 118.83 2dft h VAL 65 Ca 0.19 -2.68 -0.04 0.00 0.82 0.00 0.00 66.70 64.99 2dft h VAL 65 Cb 0.45 2.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.68 2dft h VAL 65 CO -0.04 0.63 0.28 0.03 0.02 0.00 0.00 177.57 178.49 2dft h ARG 66 N 0.02 1.02 -0.21 1.57 3.08 -0.15 0.18 114.38 119.89 2dft h ARG 66 Ca -0.29 -0.18 0.05 0.00 0.07 0.00 0.00 59.98 59.63 2dft h ARG 66 Cb 2.00 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 31.83 2dft h ARG 66 CO 0.09 0.84 -0.17 0.00 -1.07 0.00 0.00 179.97 179.66 2dft h ALA 67 N 1.13 -0.04 -0.05 0.04 0.00 -1.40 0.25 119.26 119.18 2dft h ALA 67 Ca 0.23 0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.99 2dft h ALA 67 Cb 0.20 0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.37 2dft h ALA 67 CO -0.02 -0.60 -0.87 0.00 0.00 0.00 0.00 179.25 177.76 2dft h ALA 68 N 0.93 0.37 -0.40 0.00 0.00 -0.88 0.27 119.26 119.55 2dft h ALA 68 Ca 0.12 -0.66 0.12 0.00 0.00 0.00 0.00 54.91 54.49 2dft h ALA 68 Cb 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2dft h ALA 68 CO -0.32 0.75 0.31 -0.07 0.00 0.00 0.00 179.25 179.92 2dft h LEU 69 N 0.34 0.00 0.04 0.00 3.38 -0.16 0.24 115.31 119.16 2dft h LEU 69 Ca -0.07 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.58 2dft h LEU 69 Cb 1.49 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.21 2dft h LEU 69 CO 0.16 0.00 -1.78 0.00 0.09 0.00 0.00 178.44 176.91 2dft n ALA 70 N -2.56 0.92 -2.51 1.53 0.00 0.84 -4.52 120.51 114.21 2dft n ALA 70 Ca 0.07 -0.65 -0.04 0.00 0.00 0.00 0.00 53.44 52.82 2dft n ALA 70 Cb 0.50 -0.48 0.05 0.00 0.00 0.00 0.00 19.45 19.52 2dft n ALA 70 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2dft n ASP 71 N -3.99 2.23 -4.64 0.00 5.75 0.61 -4.05 116.55 112.46 2dft n ASP 71 Ca -0.36 -2.54 -0.36 0.00 -0.01 0.00 0.00 54.79 51.52 2dft n ASP 71 Cb 0.86 -0.42 -0.10 0.00 -1.03 0.00 0.00 41.12 40.43 2dft n ASP 71 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2dft s HIS 72 N -3.07 3.28 -0.49 2.11 2.46 0.84 -4.90 115.29 115.53 2dft s HIS 72 Ca 0.34 0.13 0.03 0.00 0.47 0.00 0.00 55.06 56.03 2dft s HIS 72 Cb 0.36 -2.21 0.54 0.00 -0.13 0.00 0.00 32.58 31.14 2dft s HIS 72 CO -0.05 0.06 1.82 -0.25 -2.47 0.00 0.00 174.74 173.86 2dft n ASP 73 N 4.09 5.12 0.00 9.88 8.00 -1.26 -2.32 116.55 140.07 2dft n ASP 73 Ca -0.16 -3.72 0.00 0.00 0.71 0.00 0.00 54.79 51.62 2dft n ASP 73 Cb 0.52 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 2dft n ASP 73 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dft n GLY 74 N -1.02 2.75 3.17 0.44 0.00 -1.26 -4.47 105.19 104.80 2dft n GLY 74 Ca 0.55 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 46.11 2dft n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dft s VAL 75 N 3.18 1.45 -0.15 1.61 1.01 -1.01 0.12 120.40 126.61 2dft s VAL 75 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2dft s VAL 75 Cb 0.00 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.18 2dft s VAL 75 CO 0.00 0.41 -0.21 -0.22 0.00 0.00 0.00 175.10 175.08 2dft s LEU 76 N -0.35 2.13 -0.24 3.92 2.96 0.18 -0.69 118.68 126.59 2dft s LEU 76 Ca 0.05 -0.61 -0.08 0.00 -0.22 0.00 0.00 54.13 53.27 2dft s LEU 76 Cb -0.08 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 2dft s LEU 76 CO -0.00 0.06 0.08 -0.44 -1.32 0.00 0.00 176.35 174.73 2dft s SER 77 N 0.92 5.34 0.09 3.68 0.01 -0.42 -0.26 113.70 123.07 2dft s SER 77 Ca -0.04 -0.13 -0.24 0.00 1.31 0.00 0.00 55.95 56.85 2dft s SER 77 Cb -0.15 -1.96 -0.07 0.00 0.21 0.00 0.00 66.02 64.06 2dft s SER 77 CO -0.04 0.00 0.74 -0.76 0.41 0.00 0.00 173.24 173.60 2dft s LEU 78 N 1.39 4.51 0.46 2.44 1.02 -0.94 -1.41 118.68 126.14 2dft s LEU 78 Ca 0.05 1.49 -0.25 0.00 0.02 0.00 0.00 54.13 55.45 2dft s LEU 78 Cb -0.15 -3.21 -0.08 0.00 0.02 0.00 0.00 46.19 42.77 2dft s LEU 78 CO 0.04 0.12 1.43 -0.83 0.02 0.00 0.00 176.35 177.13 2dft s GLY 79 N -0.57 2.92 0.54 -3.19 0.00 -1.26 -4.83 107.32 100.93 2dft s GLY 79 Ca 0.36 1.47 0.21 0.00 0.00 0.00 0.00 44.72 46.76 2dft s GLY 79 CO 0.24 2.08 2.17 -1.33 0.00 0.00 0.00 173.10 176.25 2dft h GLY 80 N 2.23 0.00 -1.19 0.20 0.00 -1.94 -2.33 103.07 100.04 2dft h GLY 80 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2dft h GLY 80 CO 0.61 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.76 2dft n GLY 81 N -1.37 1.40 0.45 4.60 0.00 -1.26 -4.50 105.19 104.51 2dft n GLY 81 Ca -0.03 -0.38 0.27 0.00 0.00 0.00 0.00 46.02 45.88 2dft n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dft h ALA 82 N 2.26 2.72 0.00 4.61 0.00 -1.78 -0.96 119.26 126.11 2dft h ALA 82 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2dft h ALA 82 Cb 0.64 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2dft h ALA 82 CO 0.00 -1.02 0.00 1.33 0.00 0.00 0.00 179.25 179.56 2dft n VAL 83 N -4.16 0.00 -0.04 0.00 0.24 -1.26 -1.27 118.33 111.84 2dft n VAL 83 Ca 0.16 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.30 2dft n VAL 83 Cb 0.90 -0.36 -0.08 0.00 -1.47 0.00 0.00 33.84 32.83 2dft n VAL 83 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2dft h THR 84 N 0.00 1.33 -3.99 3.34 1.35 -1.52 -3.45 112.91 109.98 2dft h THR 84 Ca 0.00 -1.81 -0.54 0.00 -0.55 0.00 0.00 66.41 63.50 2dft h THR 84 Cb 0.00 2.05 0.12 0.00 -1.73 0.00 0.00 68.15 68.59 2dft h THR 84 CO 0.00 0.56 0.71 -0.55 -0.25 0.00 0.00 175.52 175.99 2dft s SER 85 N -6.78 5.88 0.08 5.36 0.15 -0.39 -4.89 113.70 113.11 2dft s SER 85 Ca -0.12 2.94 -0.33 0.00 0.70 0.00 0.00 55.95 59.14 2dft s SER 85 Cb 0.07 -2.66 -0.17 0.00 -1.71 0.00 0.00 66.02 61.55 2dft s SER 85 CO 0.85 -1.18 1.61 1.55 1.20 0.00 0.00 173.24 177.27 2dft h PRO 86 N 2.34 -0.89 -0.79 5.44 0.13 -1.91 -2.85 132.00 133.47 2dft h PRO 86 Ca -0.51 0.06 0.08 0.00 -0.87 0.00 0.00 66.00 64.76 2dft h PRO 86 Cb 1.27 0.20 -0.05 0.00 0.13 0.00 0.00 31.00 32.55 2dft h PRO 86 CO 0.61 -0.60 0.52 0.78 -0.23 0.00 0.00 178.00 179.08 2dft h GLY 87 N -0.93 1.06 1.34 1.56 0.00 -1.94 -0.14 103.07 104.03 2dft h GLY 87 Ca -0.08 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 2dft h GLY 87 CO 0.09 0.21 -0.34 -2.08 0.00 0.00 0.00 176.54 174.42 2dft h VAL 88 N 0.79 1.28 0.00 4.60 2.07 -1.82 -1.81 116.25 121.36 2dft h VAL 88 Ca 0.35 -1.49 -0.07 0.00 0.82 0.00 0.00 66.70 66.31 2dft h VAL 88 Cb 0.34 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2dft h VAL 88 CO -0.13 0.49 -0.33 0.03 0.02 0.00 0.00 177.57 177.65 2dft h ARG 89 N 0.62 0.00 -0.12 1.57 3.08 -0.80 -2.95 114.38 115.78 2dft h ARG 89 Ca 0.06 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.91 2dft h ARG 89 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 2dft h ARG 89 CO 0.08 0.33 -0.75 0.00 -1.07 0.00 0.00 179.97 178.56 2dft h ALA 90 N 1.67 0.45 0.00 0.04 0.00 -0.96 -3.30 119.26 117.17 2dft h ALA 90 Ca -0.00 -0.60 -0.16 0.00 0.00 0.00 0.00 54.91 54.15 2dft h ALA 90 Cb 0.93 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2dft h ALA 90 CO 0.04 0.72 -0.74 0.00 0.00 0.00 0.00 179.25 179.27 2dft h ALA 91 N 0.74 0.73 0.00 0.00 0.00 -1.19 -1.78 119.26 117.77 2dft h ALA 91 Ca -0.04 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2dft h ALA 91 Cb 1.35 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2dft h ALA 91 CO 0.14 0.93 0.00 1.28 0.00 0.00 0.00 179.25 181.60 2dft n LEU 92 N -3.59 0.00 -4.58 0.00 4.77 -1.14 -4.59 117.00 107.87 2dft n LEU 92 Ca -0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.55 2dft n LEU 92 Cb 0.74 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.80 2dft n LEU 92 CO 0.43 0.00 1.09 0.00 -1.33 0.00 0.00 177.39 177.58 2dft s ALA 93 N -2.00 3.01 0.00 -1.18 0.00 -0.67 -2.92 121.76 117.99 2dft s ALA 93 Ca 0.32 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2dft s ALA 93 Cb 0.15 -4.02 0.00 0.00 0.00 0.00 0.00 23.12 19.25 2dft s ALA 93 CO 0.25 -2.62 0.00 0.41 0.00 0.00 0.00 175.76 173.80 2dft n GLY 94 N 5.04 0.67 3.67 0.00 0.00 -1.26 -5.09 105.19 108.22 2dft n GLY 94 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2dft n GLY 94 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dft s HIS 95 N -1.14 2.05 -0.38 1.61 4.02 -1.15 -5.03 115.29 115.28 2dft s HIS 95 Ca 0.00 1.22 -0.18 0.00 1.02 0.00 0.00 55.06 57.13 2dft s HIS 95 Cb 0.00 -3.19 0.00 0.00 -1.02 0.00 0.00 32.58 28.38 2dft s HIS 95 CO 0.00 -2.80 0.48 0.99 1.02 0.00 0.00 174.74 174.43 2dft s THR 96 N -2.84 5.04 -0.31 1.30 2.01 -1.26 -4.85 115.64 114.73 2dft s THR 96 Ca 0.65 0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.72 2dft s THR 96 Cb -0.20 -3.98 0.06 0.00 0.01 0.00 0.00 72.50 68.39 2dft s THR 96 CO 0.58 -0.29 0.01 -0.69 -0.69 0.00 0.00 174.62 173.55 2dft s VAL 97 N 2.31 2.96 -0.29 3.82 1.01 -1.26 -1.98 120.40 126.97 2dft s VAL 97 Ca 0.16 -1.46 -0.17 0.00 0.00 0.00 0.00 61.98 60.51 2dft s VAL 97 Cb -0.16 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 2dft s VAL 97 CO 0.14 -0.16 0.49 -0.69 0.00 0.00 0.00 175.10 174.88 2dft s VAL 98 N 1.23 5.07 -0.25 2.92 1.01 0.13 0.73 120.40 131.24 2dft s VAL 98 Ca -0.04 0.66 -0.10 0.00 0.00 0.00 0.00 61.98 62.50 2dft s VAL 98 Cb -0.20 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 2dft s VAL 98 CO -0.02 0.01 0.16 -0.47 0.00 0.00 0.00 175.10 174.78 2dft s TYR 99 N 2.29 3.26 -0.51 5.22 5.04 0.81 -0.93 117.35 132.53 2dft s TYR 99 Ca 0.19 0.13 -0.19 0.00 -2.44 0.00 0.00 57.07 54.76 2dft s TYR 99 Cb -0.16 -2.30 0.06 0.00 0.35 0.00 0.00 41.96 39.92 2dft s TYR 99 CO 0.11 -0.04 0.65 -0.51 -1.34 0.00 0.00 175.55 174.41 2dft s LEU 100 N 1.32 4.91 0.07 6.97 1.43 -0.22 -0.49 118.68 132.67 2dft s LEU 100 Ca 0.07 -0.89 -0.24 0.00 -1.03 0.00 0.00 54.13 52.04 2dft s LEU 100 Cb -0.14 -2.47 -0.06 0.00 0.03 0.00 0.00 46.19 43.54 2dft s LEU 100 CO 0.07 -0.93 0.73 -1.61 0.23 0.00 0.00 176.35 174.83 2dft s GLU 101 N 2.74 4.46 -0.01 1.70 2.02 0.22 -4.45 118.70 125.38 2dft s GLU 101 Ca 0.16 1.01 0.01 0.00 0.02 0.00 0.00 54.97 56.17 2dft s GLU 101 Cb -0.19 -3.33 0.01 0.00 0.10 0.00 0.00 34.13 30.72 2dft s GLU 101 CO 0.12 0.39 -0.01 -1.50 0.02 0.00 0.00 175.26 174.28 2dft s ILE 102 N -0.40 0.14 0.88 -1.63 1.10 -1.26 0.99 121.20 121.02 2dft s ILE 102 Ca 0.36 -0.02 -0.12 0.00 -0.51 0.00 0.00 60.65 60.36 2dft s ILE 102 Cb -0.21 -0.15 0.12 0.00 0.15 0.00 0.00 42.46 42.37 2dft s ILE 102 CO 0.23 0.07 1.12 -0.94 -2.11 0.00 0.00 174.94 173.30 2dft s SER 103 N 0.25 3.72 0.29 4.50 1.04 -1.26 -4.75 113.70 117.49 2dft s SER 103 Ca -0.02 1.12 0.15 0.00 0.48 0.00 0.00 55.95 57.68 2dft s SER 103 Cb -0.04 -1.76 0.22 0.00 0.10 0.00 0.00 66.02 64.54 2dft s SER 103 CO -0.01 -2.43 1.51 0.00 0.98 0.00 0.00 173.24 173.29 2dft h ALA 104 N -1.41 0.73 -0.09 5.32 0.00 -1.98 0.41 119.26 122.24 2dft h ALA 104 Ca -0.50 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 53.92 2dft h ALA 104 Cb 1.31 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2dft h ALA 104 CO 0.60 0.66 0.02 0.00 0.00 0.00 0.00 179.25 180.54 2dft h ALA 105 N 1.47 0.12 -0.08 0.00 0.00 -1.97 -0.91 119.26 117.89 2dft h ALA 105 Ca -0.01 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.55 2dft h ALA 105 Cb 1.29 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.06 2dft h ALA 105 CO 0.07 -0.26 -0.84 1.49 0.00 0.00 0.00 179.25 179.71 2dft h GLU 106 N -0.06 0.71 -0.92 0.00 4.57 -1.93 -0.05 114.58 116.90 2dft h GLU 106 Ca 0.03 -0.66 0.09 0.00 -1.18 0.00 0.00 59.36 57.64 2dft h GLU 106 Cb 0.24 0.16 -0.07 0.00 -0.16 0.00 0.00 28.75 28.93 2dft h GLU 106 CO 0.00 1.26 0.59 0.78 -1.18 0.00 0.00 179.01 180.46 2dft h GLY 107 N 0.40 1.36 2.00 1.92 0.00 -0.92 1.40 103.07 109.22 2dft h GLY 107 Ca -0.08 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 2dft h GLY 107 CO 0.17 0.23 -0.28 -2.08 0.00 0.00 0.00 176.54 174.59 2dft h VAL 108 N 0.96 0.73 0.21 4.60 2.07 -0.63 -3.12 116.25 121.06 2dft h VAL 108 Ca 0.42 -1.20 -0.34 0.00 0.82 0.00 0.00 66.70 66.40 2dft h VAL 108 Cb 0.35 1.76 0.02 0.00 -1.52 0.00 0.00 31.29 31.90 2dft h VAL 108 CO -0.18 0.27 -1.63 0.03 0.02 0.00 0.00 177.57 176.08 2dft h ARG 109 N 0.00 0.44 0.00 1.57 -0.00 0.36 -3.11 114.38 113.64 2dft h ARG 109 Ca -0.00 -0.75 -0.04 0.00 -0.50 0.00 0.00 59.98 58.68 2dft h ARG 109 Cb 0.74 0.28 -0.01 0.00 0.00 0.00 0.00 29.97 30.98 2dft h ARG 109 CO 0.04 1.35 -0.21 0.00 0.00 0.00 0.00 179.97 181.15 2dft h ARG 110 N 0.12 0.00 0.00 0.04 3.08 -0.52 -3.27 114.38 113.82 2dft h ARG 110 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 2dft h ARG 110 Cb 2.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.17 2dft h ARG 110 CO 0.21 0.21 -0.32 1.79 -1.07 0.00 0.00 179.97 180.79 2dft h THR 111 N 0.00 0.00 0.00 2.04 1.35 -1.63 -3.45 112.91 111.22 2dft h THR 111 Ca -0.00 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 2dft h THR 111 Cb 0.44 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 2dft h THR 111 CO 0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 2dft n GLY 112 N 1.24 0.00 0.71 5.82 0.00 -1.18 -5.03 105.19 106.74 2dft n GLY 112 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 2dft n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dft n GLY 113 N 0.00 -2.36 5.17 -0.02 0.00 -1.26 -5.14 105.19 101.58 2dft n GLY 113 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2dft n GLY 113 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dft n ASN 114 N -3.36 0.00 0.00 1.61 4.13 -1.26 -5.26 115.26 111.11 2dft n ASN 114 Ca -0.02 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.24 2dft n ASN 114 Cb 0.33 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.57 2dft n ASN 114 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2dft n ASP 124 N 1.25 0.00 -0.43 6.41 -0.08 -1.26 -5.30 116.55 117.15 2dft n ASP 124 Ca 0.00 0.00 0.37 0.00 -1.51 0.00 0.00 54.79 53.65 2dft n ASP 124 Cb 0.00 0.00 0.71 0.00 2.34 0.00 0.00 41.12 44.17 2dft n ASP 124 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2dft h ARG 125 N 0.00 0.08 0.00 -0.67 2.43 -2.04 -1.10 114.38 113.08 2dft h ARG 125 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2dft h ARG 125 Cb 0.00 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2dft h ARG 125 CO 0.00 0.05 0.00 0.00 -1.51 0.00 0.00 179.97 178.51 2dft h ALA 126 N 1.40 1.00 0.10 2.80 0.00 -1.98 -1.36 119.26 121.22 2dft h ALA 126 Ca 0.70 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 55.36 2dft h ALA 126 Cb 2.51 0.00 0.02 0.00 0.00 0.00 0.00 17.79 20.33 2dft h ALA 126 CO -0.13 0.00 -1.02 1.49 0.00 0.00 0.00 179.25 179.58 2dft h GLU 127 N 0.00 0.51 0.00 0.00 4.81 -1.65 -1.85 114.58 116.41 2dft h GLU 127 Ca 0.00 -0.69 -0.01 0.00 -0.13 0.00 0.00 59.36 58.53 2dft h GLU 127 Cb 0.57 0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 2dft h GLU 127 CO 0.00 1.30 -0.04 0.87 -0.73 0.00 0.00 179.01 180.41 2dft h LYS 128 N 0.06 0.00 -0.06 1.92 6.56 -1.42 -2.79 116.57 120.84 2dft h LYS 128 Ca -0.16 0.00 -0.22 0.00 -1.06 0.00 0.00 60.65 59.21 2dft h LYS 128 Cb 1.74 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 33.40 2dft h LYS 128 CO 0.20 0.04 -0.86 -0.92 -2.06 0.00 0.00 179.45 175.84 2dft h TYR 129 N 0.00 0.77 -0.32 -1.35 5.03 -1.02 -3.06 116.97 117.01 2dft h TYR 129 Ca -0.00 -0.38 0.03 0.00 2.58 0.00 0.00 58.73 60.96 2dft h TYR 129 Cb 0.07 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.23 2dft h TYR 129 CO 0.00 1.19 0.22 0.00 -1.32 0.00 0.00 178.16 178.24 2dft h ARG 130 N 0.34 0.31 -0.21 1.82 3.08 -1.06 -0.37 114.38 118.30 2dft h ARG 130 Ca -0.07 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.82 2dft h ARG 130 Cb 1.48 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 2dft h ARG 130 CO 0.16 0.21 -0.47 0.00 -1.07 0.00 0.00 179.97 178.80 2dft h ALA 131 N 1.81 0.79 -0.26 0.04 0.00 -1.59 1.53 119.26 121.59 2dft h ALA 131 Ca 0.13 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 2dft h ALA 131 Cb 0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2dft h ALA 131 CO -0.03 0.66 -0.44 1.25 0.00 0.00 0.00 179.25 180.69 2dft h LEU 132 N 0.44 0.84 0.41 0.00 5.85 -1.27 0.87 115.31 122.45 2dft h LEU 132 Ca 0.03 -0.53 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 2dft h LEU 132 Cb 0.98 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2dft h LEU 132 CO 0.09 1.20 -0.20 -0.03 -0.34 0.00 0.00 178.44 179.16 2dft h MET 133 N 0.50 -0.53 -0.16 1.25 4.05 -0.28 -2.32 114.93 117.44 2dft h MET 133 Ca 0.02 0.04 0.05 0.00 -0.28 0.00 0.00 59.70 59.52 2dft h MET 133 Cb 1.04 0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.96 2dft h MET 133 CO 0.10 -0.36 0.26 0.00 0.23 0.00 0.00 176.91 177.14 2dft h ALA 134 N -1.73 1.65 0.00 0.39 0.00 0.26 -0.73 119.26 119.10 2dft h ALA 134 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2dft h ALA 134 Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2dft h ALA 134 CO 0.09 -0.34 -0.26 -0.22 0.00 0.00 0.00 179.25 178.53 2dft h LYS 135 N 0.00 0.00 0.00 0.00 3.64 -0.32 -3.42 116.57 116.47 2dft h LYS 135 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2dft h LYS 135 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2dft h LYS 135 CO -0.00 0.00 -0.65 0.54 -2.27 0.00 0.00 179.45 177.07 2dft n ARG 136 N -2.63 0.00 -0.30 1.90 1.74 -0.79 -4.57 116.66 112.02 2dft n ARG 136 Ca 0.04 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.22 2dft n ARG 136 Cb 0.49 -0.37 0.22 0.00 -1.02 0.00 0.00 32.46 31.78 2dft n ARG 136 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dft n ALA 137 N -2.94 0.37 0.64 7.54 0.00 -0.35 0.39 120.51 126.17 2dft n ALA 137 Ca 0.00 0.92 0.12 0.00 0.00 0.00 0.00 53.44 54.48 2dft n ALA 137 Cb 0.32 -0.64 0.27 0.00 0.00 0.00 0.00 19.45 19.41 2dft n ALA 137 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2dft n PRO 138 N -5.27 0.24 0.25 0.00 -0.02 -1.26 -1.07 135.00 127.87 2dft n PRO 138 Ca 0.18 0.11 0.07 0.00 -2.02 0.00 0.00 63.50 61.85 2dft n PRO 138 Cb 0.59 -1.70 0.60 0.00 -0.02 0.00 0.00 33.50 32.98 2dft n PRO 138 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2dft h LEU 139 N 0.00 0.00 -0.18 2.45 3.38 -0.31 -2.54 115.31 118.12 2dft h LEU 139 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 2dft h LEU 139 Cb 0.71 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.47 2dft h LEU 139 CO 0.00 0.07 -0.84 1.88 0.09 0.00 0.00 178.44 179.65 2dft h TYR 140 N 0.00 0.93 0.00 1.13 0.05 0.93 -2.49 116.97 117.52 2dft h TYR 140 Ca -0.00 -0.44 -0.07 0.00 0.05 0.00 0.00 58.73 58.27 2dft h TYR 140 Cb 0.14 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 2dft h TYR 140 CO 0.00 1.26 -0.35 0.00 -1.05 0.00 0.00 178.16 178.02 2dft h ARG 141 N 0.44 0.00 0.00 4.88 3.08 -1.30 -1.21 114.38 120.26 2dft h ARG 141 Ca -0.07 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 2dft h ARG 141 Cb 1.46 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.50 2dft h ARG 141 CO 0.16 0.35 -0.42 0.00 -1.07 0.00 0.00 179.97 178.99 2dft h ARG 142 N 0.00 0.00 0.00 0.04 3.08 -1.07 -3.21 114.38 113.22 2dft h ARG 142 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2dft h ARG 142 Cb 0.70 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 2dft h ARG 142 CO 0.05 0.42 -1.53 1.33 -1.07 0.00 0.00 179.97 179.16 2dft n VAL 143 N -3.46 0.11 -1.11 2.04 0.24 -0.97 -5.02 118.33 110.15 2dft n VAL 143 Ca 0.00 -0.28 -0.42 0.00 -2.04 0.00 0.00 64.34 61.61 2dft n VAL 143 Cb 0.57 0.10 -0.05 0.00 -1.47 0.00 0.00 33.84 32.99 2dft n VAL 143 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dft n ALA 144 N -1.96 -2.73 -0.26 2.33 0.00 -0.47 -4.72 120.51 112.70 2dft n ALA 144 Ca -0.04 0.41 0.07 0.00 0.00 0.00 0.00 53.44 53.88 2dft n ALA 144 Cb 0.37 -1.29 0.21 0.00 0.00 0.00 0.00 19.45 18.73 2dft n ALA 144 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dft n THR 145 N 0.73 1.06 -3.64 0.00 -2.24 0.22 -4.92 114.28 105.49 2dft n THR 145 Ca 0.15 -1.03 -0.04 0.00 -2.27 0.00 0.00 64.05 60.86 2dft n THR 145 Cb 0.11 0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 68.74 2dft n THR 145 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2dft s MET 146 N -1.07 0.29 -0.08 -0.78 1.75 -0.47 -4.79 119.30 114.15 2dft s MET 146 Ca 0.31 0.41 0.05 0.00 -1.25 0.00 0.00 55.69 55.22 2dft s MET 146 Cb 0.17 0.11 -0.00 0.00 2.84 0.00 0.00 34.83 37.94 2dft s MET 146 CO 0.21 -0.05 -0.24 1.03 -0.65 0.00 0.00 175.02 175.32 2dft s ARG 147 N 0.64 2.84 -0.14 4.11 0.52 -1.26 -0.13 118.95 125.52 2dft s ARG 147 Ca -0.01 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.31 2dft s ARG 147 Cb -0.04 -2.23 -0.01 0.00 0.52 0.00 0.00 34.95 33.19 2dft s ARG 147 CO -0.12 0.26 -0.14 0.08 0.02 0.00 0.00 175.30 175.40 2dft s VAL 148 N 0.15 2.86 -0.10 3.52 1.01 0.36 -4.92 120.40 123.26 2dft s VAL 148 Ca -0.13 -0.72 -0.23 0.00 0.00 0.00 0.00 61.98 60.90 2dft s VAL 148 Cb -0.16 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 2dft s VAL 148 CO 0.07 0.52 0.69 -0.62 0.00 0.00 0.00 175.10 175.75 2dft s ASP 149 N 0.58 6.91 -0.02 3.32 2.15 -1.26 0.70 116.67 129.06 2dft s ASP 149 Ca -0.08 1.10 0.15 0.00 0.43 0.00 0.00 52.55 54.15 2dft s ASP 149 Cb -0.16 -2.40 0.45 0.00 -0.30 0.00 0.00 42.92 40.51 2dft s ASP 149 CO 0.03 -0.16 1.38 0.35 -0.17 0.00 0.00 175.17 176.60 2dft n THR 150 N 4.02 1.11 -0.15 1.71 -2.24 0.28 -4.68 114.28 114.33 2dft n THR 150 Ca -0.01 -1.05 -0.08 0.00 -2.27 0.00 0.00 64.05 60.63 2dft n THR 150 Cb 0.51 0.44 0.01 0.00 -2.10 0.00 0.00 70.33 69.18 2dft n THR 150 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2dft h ASN 151 N 2.85 0.59 -0.01 3.42 2.35 -1.93 -3.24 115.58 119.62 2dft h ASN 151 Ca 0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2dft h ASN 151 Cb 0.89 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.11 2dft h ASN 151 CO 0.03 0.54 -0.54 0.54 -1.65 0.00 0.00 177.43 176.34 2dft n ARG 152 N -4.66 1.57 -3.72 0.81 5.12 -1.26 -4.97 116.66 109.54 2dft n ARG 152 Ca 0.01 -0.50 -0.31 0.00 -1.93 0.00 0.00 57.85 55.12 2dft n ARG 152 Cb 0.10 -1.30 -0.05 0.00 -1.16 0.00 0.00 32.46 30.06 2dft n ARG 152 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2dft s ARG 153 N -2.25 3.58 0.60 5.56 0.52 -1.22 -5.09 118.95 120.65 2dft s ARG 153 Ca 0.11 -0.17 -0.04 0.00 -0.52 0.00 0.00 55.73 55.11 2dft s ARG 153 Cb 0.13 -2.89 0.03 0.00 0.52 0.00 0.00 34.95 32.74 2dft s ARG 153 CO 0.54 0.49 0.89 0.54 0.02 0.00 0.00 175.30 177.78 2dft s ASN 154 N -2.47 5.35 0.15 0.23 4.22 -1.26 -4.84 114.94 116.32 2dft s ASN 154 Ca 0.40 0.48 -0.18 0.00 -2.14 0.00 0.00 52.86 51.42 2dft s ASN 154 Cb -0.12 -1.39 0.04 0.00 1.28 0.00 0.00 41.25 41.05 2dft s ASN 154 CO 0.25 -1.18 1.71 -0.65 -2.04 0.00 0.00 177.10 175.20 2dft h PRO 155 N -0.19 0.10 -0.52 3.55 0.11 -1.98 -1.49 132.00 131.59 2dft h PRO 155 Ca -0.45 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.73 2dft h PRO 155 Cb 1.28 -0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.27 2dft h PRO 155 CO 0.59 0.07 -0.48 0.78 -0.21 0.00 0.00 178.00 178.75 2dft h GLY 156 N 0.10 -0.67 0.26 -0.55 0.00 -2.00 0.20 103.07 100.43 2dft h GLY 156 Ca 0.14 0.62 0.23 0.00 0.00 0.00 0.00 47.33 48.32 2dft h GLY 156 CO -0.23 -0.14 0.61 0.00 0.00 0.00 0.00 176.54 176.78 2dft h ALA 157 N 0.37 2.45 -0.27 3.60 0.00 -1.77 0.20 119.26 123.85 2dft h ALA 157 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 2dft h ALA 157 Cb 0.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2dft h ALA 157 CO -0.65 -0.72 -0.57 0.28 0.00 0.00 0.00 179.25 177.58 2dft h VAL 158 N 0.25 1.28 0.06 0.00 2.07 -0.06 -1.02 116.25 118.82 2dft h VAL 158 Ca 0.45 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 66.21 2dft h VAL 158 Cb 1.38 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 2dft h VAL 158 CO -0.12 0.57 -0.06 0.58 0.02 0.00 0.00 177.57 178.57 2dft h VAL 159 N 0.63 0.87 -0.20 2.57 2.07 0.12 -0.98 116.25 121.33 2dft h VAL 159 Ca 0.01 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.43 2dft h VAL 159 Cb 1.18 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2dft h VAL 159 CO 0.12 0.00 -0.29 0.03 0.02 0.00 0.00 177.57 177.45 2dft h ARG 160 N -0.13 0.39 -0.78 1.57 3.08 -1.14 -1.36 114.38 116.01 2dft h ARG 160 Ca 0.00 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 2dft h ARG 160 Cb 0.12 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 2dft h ARG 160 CO -0.01 0.65 0.37 1.25 -1.07 0.00 0.00 179.97 181.16 2dft h HIS 161 N 0.34 1.11 -0.25 3.04 2.76 -0.84 -1.06 115.15 120.25 2dft h HIS 161 Ca 0.05 -0.05 -0.12 0.00 -2.20 0.00 0.00 60.37 58.05 2dft h HIS 161 Cb 0.69 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 2dft h HIS 161 CO 0.02 0.80 -0.33 0.82 -1.30 0.00 0.00 177.93 177.95 2dft h ILE 162 N 1.11 1.29 0.16 6.26 2.04 -0.18 -2.65 117.51 125.54 2dft h ILE 162 Ca 0.27 -1.43 -0.30 0.00 1.00 0.00 0.00 64.86 64.40 2dft h ILE 162 Cb 0.11 1.45 0.01 0.00 -0.74 0.00 0.00 36.82 37.65 2dft h ILE 162 CO -0.03 0.45 -1.48 -0.07 0.00 0.00 0.00 178.15 177.02 2dft h LEU 163 N 0.45 0.52 -2.04 1.44 3.38 -1.15 -2.33 115.31 115.59 2dft h LEU 163 Ca 0.05 -0.90 0.11 0.00 0.09 0.00 0.00 57.88 57.23 2dft h LEU 163 Cb 0.79 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2dft h LEU 163 CO 0.06 1.67 0.29 0.28 0.09 0.00 0.00 178.44 180.82 2dft h SER 164 N -0.12 0.00 0.41 -0.43 0.02 -0.95 0.20 113.55 112.68 2dft h SER 164 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2dft h SER 164 Cb 1.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.45 2dft h SER 164 CO 0.13 0.00 -0.05 0.54 -1.14 0.00 0.00 176.83 176.31 2dft n ARG 165 N -4.26 0.61 0.00 3.45 5.12 -1.01 -5.11 116.66 115.46 2dft n ARG 165 Ca 0.06 -0.11 0.11 0.00 -1.93 0.00 0.00 57.85 55.98 2dft n ARG 165 Cb 0.46 -1.50 0.09 0.00 -1.16 0.00 0.00 32.46 30.36 2dft n ARG 165 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59