#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dlu s ARG 3 N 0.00 3.42 0.19 1.61 3.52 -1.26 -0.67 118.95 125.76 3dlu s ARG 3 Ca 0.00 -0.28 -0.23 0.00 -0.13 0.00 0.00 55.73 55.09 3dlu s ARG 3 Cb 0.00 -3.06 0.05 0.00 -1.56 0.00 0.00 34.95 30.38 3dlu s ARG 3 CO 0.00 0.63 0.77 -0.59 -0.81 0.00 0.00 175.30 175.30 3dlu s PHE 4 N -0.63 -0.27 0.03 5.12 -0.71 -0.57 -5.00 117.98 115.96 3dlu s PHE 4 Ca 0.11 -0.07 -0.14 0.00 -1.04 0.00 0.00 56.93 55.80 3dlu s PHE 4 Cb -0.12 0.64 -0.06 0.00 -1.21 0.00 0.00 43.02 42.28 3dlu s PHE 4 CO 0.02 -0.98 0.42 0.54 -1.34 0.00 0.00 175.22 173.88 3dlu s VAL 5 N -3.65 5.03 -0.19 -2.49 0.11 -1.26 -0.61 120.40 117.34 3dlu s VAL 5 Ca 0.09 0.76 -0.02 0.00 -2.93 0.00 0.00 61.98 59.87 3dlu s VAL 5 Cb -0.03 -3.70 -0.01 0.00 -1.53 0.00 0.00 36.38 31.11 3dlu s VAL 5 CO -0.00 0.49 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.48 3dlu s VAL 6 N -1.18 3.15 -0.22 2.04 1.01 0.19 -4.95 120.40 120.44 3dlu s VAL 6 Ca 0.27 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 3dlu s VAL 6 Cb -0.16 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 3dlu s VAL 6 CO 0.15 0.47 0.03 0.86 0.00 0.00 0.00 175.10 176.60 3dlu s TRP 7 N 1.12 3.06 0.46 5.22 -0.00 -1.26 -1.43 118.94 126.11 3dlu s TRP 7 Ca 0.01 -0.46 0.23 0.00 -0.00 0.00 0.00 56.10 55.87 3dlu s TRP 7 Cb -0.14 -2.15 1.22 0.00 -0.00 0.00 0.00 33.47 32.40 3dlu s TRP 7 CO -0.02 -0.30 1.85 -1.35 -0.00 0.00 0.00 176.95 177.13 3dlu h PRO 8 N 7.82 0.26 -0.33 5.86 0.11 -1.92 0.90 132.00 144.70 3dlu h PRO 8 Ca -0.38 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.82 3dlu h PRO 8 Cb 1.17 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3dlu h PRO 8 CO 0.60 0.17 0.26 0.77 -0.21 0.00 0.00 178.00 179.60 3dlu h SER 9 N 0.27 0.00 -0.12 -2.05 0.02 -1.91 -1.46 113.55 108.30 3dlu h SER 9 Ca 0.48 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.46 3dlu h SER 9 Cb 1.42 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.95 3dlu h SER 9 CO -0.14 0.00 0.15 -0.33 -1.14 0.00 0.00 176.83 175.37 3dlu h GLU 10 N 0.00 0.00 -0.21 3.45 5.08 -0.87 -2.47 114.58 119.55 3dlu h GLU 10 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3dlu h GLU 10 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3dlu h GLU 10 CO -0.00 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.29 3dlu n LEU 11 N -3.71 2.55 -4.53 1.33 4.77 -0.56 -0.87 117.00 115.98 3dlu n LEU 11 Ca 0.00 -1.96 -0.42 0.00 -0.03 0.00 0.00 56.01 53.60 3dlu n LEU 11 Cb 0.26 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 3dlu n LEU 11 CO 0.26 0.63 0.19 -0.62 -1.33 0.00 0.00 177.39 176.53 3dlu s ASP 12 N -0.98 6.27 0.08 -1.43 -1.08 -0.94 -1.51 116.67 117.08 3dlu s ASP 12 Ca 0.15 -0.24 0.16 0.00 -0.52 0.00 0.00 52.55 52.10 3dlu s ASP 12 Cb 0.08 -2.25 0.70 0.00 -1.46 0.00 0.00 42.92 39.98 3dlu s ASP 12 CO 0.10 -0.52 1.52 -1.54 0.52 0.00 0.00 175.17 175.25 3dlu n SER 13 N 5.72 0.19 0.06 -0.34 3.41 0.27 -2.12 113.62 120.82 3dlu n SER 13 Ca -0.06 0.55 0.13 0.00 -0.26 0.00 0.00 58.87 59.23 3dlu n SER 13 Cb 0.48 -0.59 0.48 0.00 -0.26 0.00 0.00 64.21 64.33 3dlu n SER 13 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3dlu n ARG 14 N -1.72 0.15 -4.13 4.33 1.74 -1.26 -4.87 116.66 110.90 3dlu n ARG 14 Ca 0.03 0.17 -0.32 0.00 -0.77 0.00 0.00 57.85 56.96 3dlu n ARG 14 Cb 0.18 -1.69 -0.07 0.00 -1.02 0.00 0.00 32.46 29.86 3dlu n ARG 14 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3dlu s LEU 15 N -3.89 3.74 0.78 0.55 1.43 -0.90 -5.11 118.68 115.26 3dlu s LEU 15 Ca 0.11 0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 3dlu s LEU 15 Cb 0.14 -2.26 0.06 0.00 0.03 0.00 0.00 46.19 44.15 3dlu s LEU 15 CO 0.53 0.24 1.09 -0.94 0.23 0.00 0.00 176.35 177.49 3dlu s SER 16 N -1.93 4.65 0.35 2.29 1.04 -1.26 -4.64 113.70 114.20 3dlu s SER 16 Ca 0.24 1.45 0.03 0.00 0.48 0.00 0.00 55.95 58.15 3dlu s SER 16 Cb -0.12 -2.22 0.63 0.00 0.10 0.00 0.00 66.02 64.42 3dlu s SER 16 CO 0.16 -1.89 1.98 0.03 0.98 0.00 0.00 173.24 174.50 3dlu h ARG 17 N -1.03 0.77 -0.29 4.02 3.08 -1.93 -1.50 114.38 117.49 3dlu h ARG 17 Ca -0.46 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 59.57 3dlu h ARG 17 Cb 1.25 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 3dlu h ARG 17 CO 0.58 0.55 0.20 -0.22 -1.07 0.00 0.00 179.97 180.01 3dlu h LYS 18 N 0.78 0.17 -0.28 0.04 3.64 -1.93 -1.45 116.57 117.55 3dlu h LYS 18 Ca 0.20 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3dlu h LYS 18 Cb -0.01 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3dlu h LYS 18 CO -0.04 0.11 0.00 0.66 -2.27 0.00 0.00 179.45 177.92 3dlu n TYR 19 N -4.48 0.35 0.00 1.91 4.02 -0.60 -4.93 117.16 113.43 3dlu n TYR 19 Ca 0.03 -0.18 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 3dlu n TYR 19 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 3dlu n TYR 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dlu n GLY 20 N 1.37 1.39 3.76 2.72 0.00 -0.54 -4.90 105.19 108.99 3dlu n GLY 20 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3dlu n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dlu s ARG 21 N 0.00 4.19 -0.10 1.61 3.52 -0.98 -3.62 118.95 123.57 3dlu s ARG 21 Ca 0.00 2.46 0.02 0.00 -0.13 0.00 0.00 55.73 58.08 3dlu s ARG 21 Cb 0.00 -3.04 -0.07 0.00 -1.56 0.00 0.00 34.95 30.28 3dlu s ARG 21 CO 0.00 -0.49 -0.07 -0.89 -0.81 0.00 0.00 175.30 173.04 3dlu n ILE 22 N 1.58 0.57 -2.85 4.11 5.41 -0.05 -4.21 119.36 123.91 3dlu n ILE 22 Ca 0.05 -0.24 -0.32 0.00 1.00 0.00 0.00 62.75 63.24 3dlu n ILE 22 Cb 0.39 -0.85 -0.05 0.00 -0.71 0.00 0.00 39.64 38.42 3dlu n ILE 22 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 3dlu s VAL 23 N -2.20 4.58 0.29 1.39 -7.23 -1.03 -5.00 120.40 111.20 3dlu s VAL 23 Ca -0.12 1.12 -0.29 0.00 -1.81 0.00 0.00 61.98 60.88 3dlu s VAL 23 Cb 0.03 -3.65 -0.13 0.00 0.56 0.00 0.00 36.38 33.19 3dlu s VAL 23 CO 0.25 -0.38 1.18 -2.65 -0.31 0.00 0.00 175.10 173.19 3dlu n PRO 24 N -0.83 1.73 0.13 4.82 -0.02 -1.26 -4.70 135.00 134.86 3dlu n PRO 24 Ca 0.05 0.61 0.15 0.00 -2.02 0.00 0.00 63.50 62.29 3dlu n PRO 24 Cb 0.54 -2.10 0.69 0.00 -0.02 0.00 0.00 33.50 32.60 3dlu n PRO 24 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3dlu h ARG 25 N 2.59 0.00 0.00 -0.52 2.43 -1.94 0.13 114.38 117.07 3dlu h ARG 25 Ca -0.43 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.63 3dlu h ARG 25 Cb 1.31 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.84 3dlu h ARG 25 CO 0.64 0.00 -0.53 0.66 -1.51 0.00 0.00 179.97 179.23 3dlu h SER 26 N 0.00 0.00 0.44 -3.80 4.64 -1.98 -3.16 113.55 109.70 3dlu h SER 26 Ca 0.13 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.15 3dlu h SER 26 Cb 0.56 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 3dlu h SER 26 CO -0.00 0.53 -1.58 0.40 -0.87 0.00 0.00 176.83 175.30 3dlu h ILE 27 N 0.00 1.07 -3.80 0.95 2.04 -1.38 -3.47 117.51 112.92 3dlu h ILE 27 Ca -0.01 -2.76 -0.49 0.00 1.00 0.00 0.00 64.86 62.61 3dlu h ILE 27 Cb 1.01 2.69 0.21 0.00 -0.74 0.00 0.00 36.82 39.99 3dlu h ILE 27 CO 0.07 0.79 0.07 0.00 0.00 0.00 0.00 178.15 179.08 3dlu n ALA 28 N -2.67 -1.74 -2.47 1.87 0.00 -0.41 -4.52 120.51 110.56 3dlu n ALA 28 Ca -0.17 -0.81 -0.20 0.00 0.00 0.00 0.00 53.44 52.26 3dlu n ALA 28 Cb 1.04 -2.09 -0.11 0.00 0.00 0.00 0.00 19.45 18.29 3dlu n ALA 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3dlu s VAL 29 N -2.53 1.54 0.03 0.00 -7.23 -0.57 -4.67 120.40 106.97 3dlu s VAL 29 Ca 0.67 -1.81 -0.30 0.00 -1.81 0.00 0.00 61.98 58.72 3dlu s VAL 29 Cb -0.24 -1.68 -0.06 0.00 0.56 0.00 0.00 36.38 34.97 3dlu s VAL 29 CO 0.61 -0.38 1.39 -0.70 -0.31 0.00 0.00 175.10 175.71 3dlu s GLU 30 N -2.75 4.30 -0.91 4.82 2.12 -1.26 -0.56 118.70 124.45 3dlu s GLU 30 Ca 0.12 1.99 -0.08 0.00 0.36 0.00 0.00 54.97 57.36 3dlu s GLU 30 Cb -0.05 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.86 3dlu s GLU 30 CO 0.04 -0.53 0.67 0.43 -0.54 0.00 0.00 175.26 175.34 3dlu n SER 31 N 4.96 -5.50 -4.77 -1.70 7.64 -1.26 -4.89 113.62 108.10 3dlu n SER 31 Ca 0.13 -0.82 -0.41 0.00 1.01 0.00 0.00 58.87 58.78 3dlu n SER 31 Cb 0.43 -2.78 -0.02 0.00 -1.01 0.00 0.00 64.21 60.83 3dlu n SER 31 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3dlu s PRO 32 N -5.00 4.39 0.05 1.43 0.05 -1.26 -5.01 135.00 129.66 3dlu s PRO 32 Ca 0.15 2.16 -0.00 0.00 0.05 0.00 0.00 61.00 63.35 3dlu s PRO 32 Cb -0.06 -3.09 -0.04 0.00 0.05 0.00 0.00 34.50 31.35 3dlu s PRO 32 CO 0.87 -0.15 0.20 1.03 0.05 0.00 0.00 177.00 179.00 3dlu s ARG 33 N -1.59 3.42 0.25 4.56 0.52 -1.26 -4.91 118.95 119.93 3dlu s ARG 33 Ca 0.49 -0.44 -0.03 0.00 -0.52 0.00 0.00 55.73 55.23 3dlu s ARG 33 Cb -0.39 -3.03 0.46 0.00 0.52 0.00 0.00 34.95 32.51 3dlu s ARG 33 CO 0.50 0.61 1.76 0.28 0.02 0.00 0.00 175.30 178.47 3dlu h VAL 34 N 2.16 0.74 -0.84 3.52 2.07 -1.99 -0.55 116.25 121.36 3dlu h VAL 34 Ca -0.45 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 66.89 3dlu h VAL 34 Cb 1.16 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3dlu h VAL 34 CO 0.75 0.10 0.56 -0.33 0.02 0.00 0.00 177.57 178.67 3dlu h GLU 35 N 0.56 1.08 -0.38 1.57 3.07 -1.99 -1.26 114.58 117.23 3dlu h GLU 35 Ca 0.42 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 59.07 3dlu h GLU 35 Cb 0.57 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 3dlu h GLU 35 CO -0.35 0.71 -0.32 0.93 -1.40 0.00 0.00 179.01 178.59 3dlu h GLU 36 N 1.11 0.89 -0.57 2.33 5.08 -1.54 -1.79 114.58 120.10 3dlu h GLU 36 Ca 0.32 -0.45 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 3dlu h GLU 36 Cb -0.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 3dlu h GLU 36 CO -0.08 1.10 0.25 0.82 -1.00 0.00 0.00 179.01 180.10 3dlu h ILE 37 N 0.71 1.21 -0.23 3.13 2.04 -0.81 -0.62 117.51 122.94 3dlu h ILE 37 Ca 0.07 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 3dlu h ILE 37 Cb 0.90 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3dlu h ILE 37 CO 0.08 0.25 0.00 0.58 0.00 0.00 0.00 178.15 179.06 3dlu h VAL 38 N 0.77 1.25 -0.49 1.67 2.07 -1.22 -0.32 116.25 119.98 3dlu h VAL 38 Ca 0.19 -0.88 0.07 0.00 0.82 0.00 0.00 66.70 66.90 3dlu h VAL 38 Cb 0.15 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 3dlu h VAL 38 CO -0.02 0.27 0.14 -0.09 0.02 0.00 0.00 177.57 177.89 3dlu h ARG 39 N 0.17 0.28 -0.27 1.57 2.43 -1.16 -1.51 114.38 115.90 3dlu h ARG 39 Ca 0.06 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3dlu h ARG 39 Cb 0.40 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3dlu h ARG 39 CO 0.01 0.19 0.13 0.00 -1.51 0.00 0.00 179.97 178.79 3dlu h ALA 40 N 1.35 0.35 -0.73 2.80 0.00 -0.93 -1.76 119.26 120.35 3dlu h ALA 40 Ca 0.24 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.16 3dlu h ALA 40 Cb 0.29 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 3dlu h ALA 40 CO -0.28 -0.09 0.36 0.00 0.00 0.00 0.00 179.25 179.24 3dlu h ALA 41 N 0.99 1.01 -0.23 0.00 0.00 -0.60 0.18 119.26 120.61 3dlu h ALA 41 Ca 0.09 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3dlu h ALA 41 Cb 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3dlu h ALA 41 CO -0.01 -0.05 -0.17 0.93 0.00 0.00 0.00 179.25 179.95 3dlu h GLU 42 N 0.60 0.52 -1.00 0.00 5.08 -1.13 0.40 114.58 119.06 3dlu h GLU 42 Ca 0.36 -0.25 0.11 0.00 -1.00 0.00 0.00 59.36 58.58 3dlu h GLU 42 Cb 0.40 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.56 3dlu h GLU 42 CO -0.28 0.82 0.63 0.93 -1.00 0.00 0.00 179.01 180.11 3dlu h GLU 43 N 0.23 0.98 -0.01 2.33 4.39 -0.80 0.22 114.58 121.92 3dlu h GLU 43 Ca 0.05 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3dlu h GLU 43 Cb 0.69 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3dlu h GLU 43 CO 0.04 0.65 0.00 1.28 -1.16 0.00 0.00 179.01 179.82 3dlu n LEU 44 N -4.60 0.18 -2.41 1.33 4.77 0.59 -4.88 117.00 111.98 3dlu n LEU 44 Ca 0.18 -0.07 -0.20 0.00 -0.03 0.00 0.00 56.01 55.89 3dlu n LEU 44 Cb 0.34 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3dlu n LEU 44 CO 0.28 0.04 -0.20 0.29 -1.33 0.00 0.00 177.39 176.46 3dlu n LYS 45 N -0.74 -2.26 -2.71 3.23 5.02 0.77 -5.00 118.16 116.46 3dlu n LYS 45 Ca 0.18 0.95 -0.32 0.00 -2.02 0.00 0.00 58.31 57.09 3dlu n LYS 45 Cb 0.11 -5.60 -0.05 0.00 -0.02 0.00 0.00 35.03 29.47 3dlu n LYS 45 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3dlu s PHE 46 N -3.03 3.37 -0.10 2.13 0.08 0.13 -4.95 117.98 115.62 3dlu s PHE 46 Ca 0.06 1.49 -0.22 0.00 0.12 0.00 0.00 56.93 58.38 3dlu s PHE 46 Cb -0.03 -2.77 -0.04 0.00 -0.57 0.00 0.00 43.02 39.61 3dlu s PHE 46 CO 0.08 -0.18 0.64 0.21 -0.10 0.00 0.00 175.22 175.86 3dlu s LYS 47 N -3.51 4.38 -0.36 0.44 2.20 -0.08 -4.36 119.74 118.46 3dlu s LYS 47 Ca 0.59 0.74 -0.22 0.00 -0.36 0.00 0.00 55.97 56.72 3dlu s LYS 47 Cb -0.10 -3.46 0.01 0.00 -1.51 0.00 0.00 37.83 32.77 3dlu s LYS 47 CO 0.21 0.05 0.71 0.08 -0.36 0.00 0.00 175.35 176.04 3dlu s VAL 48 N 0.91 4.81 -0.11 4.02 1.01 -1.26 -0.60 120.40 129.18 3dlu s VAL 48 Ca 0.33 0.73 -0.10 0.00 0.00 0.00 0.00 61.98 62.95 3dlu s VAL 48 Cb -0.17 -4.15 -0.27 0.00 0.00 0.00 0.00 36.38 31.80 3dlu s VAL 48 CO 0.15 -0.38 0.45 0.40 0.00 0.00 0.00 175.10 175.72 3dlu h ILE 49 N 5.72 0.76 -2.58 2.22 1.08 -1.35 -3.49 117.51 119.87 3dlu h ILE 49 Ca -0.25 -2.38 -0.10 0.00 -0.39 0.00 0.00 64.86 61.73 3dlu h ILE 49 Cb 1.10 2.57 -0.23 0.00 -3.07 0.00 0.00 36.82 37.20 3dlu h ILE 49 CO 0.87 0.84 -0.15 -0.60 -0.69 0.00 0.00 178.15 178.42 3dlu s ARG 50 N -2.54 0.58 -0.11 2.37 3.52 -1.04 -4.94 118.95 116.78 3dlu s ARG 50 Ca -0.21 0.63 -0.01 0.00 -0.13 0.00 0.00 55.73 56.01 3dlu s ARG 50 Cb 0.06 0.28 0.03 0.00 -1.56 0.00 0.00 34.95 33.76 3dlu s ARG 50 CO 0.78 -0.08 -0.03 0.08 -0.81 0.00 0.00 175.30 175.24 3dlu s VAL 51 N 0.17 0.72 -0.05 7.11 1.01 -1.26 -0.41 120.40 127.69 3dlu s VAL 51 Ca -0.01 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.85 3dlu s VAL 51 Cb -0.03 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 3dlu s VAL 51 CO 0.01 0.24 -0.23 -0.70 0.00 0.00 0.00 175.10 174.42 3dlu s GLU 52 N 1.82 2.27 -0.05 2.72 -6.30 -0.41 -5.01 118.70 113.75 3dlu s GLU 52 Ca 0.04 -0.84 -0.02 0.00 -2.50 0.00 0.00 54.97 51.65 3dlu s GLU 52 Cb -0.13 -1.98 0.03 0.00 0.00 0.00 0.00 34.13 32.04 3dlu s GLU 52 CO -0.07 0.38 0.11 -2.00 0.02 0.00 0.00 175.26 173.70 3dlu s GLU 53 N -0.21 0.07 -0.10 4.30 2.12 -1.26 -1.38 118.70 122.24 3dlu s GLU 53 Ca -0.01 0.26 0.02 0.00 0.36 0.00 0.00 54.97 55.60 3dlu s GLU 53 Cb -0.12 -0.12 0.01 0.00 0.26 0.00 0.00 34.13 34.16 3dlu s GLU 53 CO 0.02 -0.12 -0.18 0.34 -0.54 0.00 0.00 175.26 174.79 3dlu s ASP 54 N 0.79 2.56 -0.12 -1.70 -1.08 0.15 -4.98 116.67 112.29 3dlu s ASP 54 Ca -0.06 -0.46 0.03 0.00 -0.52 0.00 0.00 52.55 51.53 3dlu s ASP 54 Cb -0.08 -1.17 0.01 0.00 -1.46 0.00 0.00 42.92 40.22 3dlu s ASP 54 CO -0.03 0.06 -0.21 -0.54 0.52 0.00 0.00 175.17 174.97 3dlu s LYS 55 N 0.78 2.83 -0.06 4.34 1.02 -1.26 -0.44 119.74 126.94 3dlu s LYS 55 Ca -0.10 -0.79 0.08 0.00 0.02 0.00 0.00 55.97 55.18 3dlu s LYS 55 Cb -0.16 -2.27 0.12 0.00 -0.52 0.00 0.00 37.83 35.01 3dlu s LYS 55 CO 0.01 0.02 1.01 1.28 -0.92 0.00 0.00 175.35 176.75 3dlu n LEU 56 N 3.97 1.44 -3.72 3.17 4.77 -1.26 -4.92 117.00 120.45 3dlu n LEU 56 Ca -0.20 -1.99 -0.12 0.00 -0.03 0.00 0.00 56.01 53.67 3dlu n LEU 56 Cb 0.52 -0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 41.31 3dlu n LEU 56 CO 0.27 0.47 0.01 -0.76 -1.33 0.00 0.00 177.39 176.05 3dlu s LEU 67 N -1.45 0.31 0.16 2.23 1.43 -1.26 -4.82 118.68 115.28 3dlu s LEU 67 Ca 0.14 0.75 -0.29 0.00 -1.03 0.00 0.00 54.13 53.70 3dlu s LEU 67 Cb 0.12 1.18 -0.07 0.00 0.03 0.00 0.00 46.19 47.45 3dlu s LEU 67 CO 0.01 -0.16 0.90 0.00 0.23 0.00 0.00 176.35 177.33 3dlu s ARG 68 N 0.87 4.72 -0.12 1.70 1.04 -1.26 -5.06 118.95 120.83 3dlu s ARG 68 Ca -0.05 1.37 -0.04 0.00 -1.04 0.00 0.00 55.73 55.96 3dlu s ARG 68 Cb -0.06 -3.32 -0.04 0.00 -2.04 0.00 0.00 34.95 29.50 3dlu s ARG 68 CO -0.06 0.41 0.05 0.99 -0.04 0.00 0.00 175.30 176.64 3dlu s THR 69 N -0.68 4.70 -0.05 4.99 2.01 -1.26 -4.26 115.64 121.09 3dlu s THR 69 Ca 0.42 -0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.36 3dlu s THR 69 Cb -0.24 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.24 3dlu s THR 69 CO 0.29 0.57 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.30 3dlu s PHE 70 N -0.58 1.47 0.29 4.92 0.40 0.41 -4.98 117.98 119.90 3dlu s PHE 70 Ca 0.11 -0.47 -0.20 0.00 -0.60 0.00 0.00 56.93 55.77 3dlu s PHE 70 Cb -0.12 -1.03 0.04 0.00 0.51 0.00 0.00 43.02 42.42 3dlu s PHE 70 CO 0.02 -0.20 0.82 0.20 0.70 0.00 0.00 175.22 176.76 3dlu s GLY 71 N 0.33 0.06 -0.02 4.36 0.00 -1.26 0.30 107.32 111.09 3dlu s GLY 71 Ca -0.08 -0.39 -0.27 0.00 0.00 0.00 0.00 44.72 43.97 3dlu s GLY 71 CO 0.03 0.11 0.61 -3.16 0.00 0.00 0.00 173.10 170.68 3dlu s MET 72 N -3.09 1.02 -0.03 2.90 0.23 -0.48 -4.49 119.30 115.37 3dlu s MET 72 Ca 0.14 0.10 0.03 0.00 -1.03 0.00 0.00 55.69 54.93 3dlu s MET 72 Cb -0.05 0.48 0.00 0.00 -1.53 0.00 0.00 34.83 33.73 3dlu s MET 72 CO 0.08 -0.33 -0.11 0.42 -2.03 0.00 0.00 175.02 173.05 3dlu s ILE 73 N -1.51 0.91 -0.16 3.16 1.09 -0.51 -1.29 121.20 122.89 3dlu s ILE 73 Ca -0.10 -0.44 -0.04 0.00 -1.10 0.00 0.00 60.65 58.97 3dlu s ILE 73 Cb -0.01 -0.80 -0.03 0.00 -1.06 0.00 0.00 42.46 40.57 3dlu s ILE 73 CO 0.07 0.28 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.46 3dlu s VAL 74 N 0.09 3.92 0.13 2.92 1.01 0.45 0.56 120.40 129.48 3dlu s VAL 74 Ca -0.02 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.70 3dlu s VAL 74 Cb -0.08 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 3dlu s VAL 74 CO 0.01 0.49 -0.19 -0.76 0.00 0.00 0.00 175.10 174.65 3dlu s LEU 75 N 0.37 2.37 -0.13 3.92 1.43 0.22 -0.88 118.68 125.98 3dlu s LEU 75 Ca -0.04 -0.77 0.02 0.00 -1.03 0.00 0.00 54.13 52.31 3dlu s LEU 75 Cb -0.14 -0.83 -0.00 0.00 0.03 0.00 0.00 46.19 45.25 3dlu s LEU 75 CO 0.03 0.00 -0.18 -0.70 0.23 0.00 0.00 176.35 175.72 3dlu s GLU 76 N -2.35 3.17 0.04 1.70 2.12 0.23 -1.51 118.70 122.10 3dlu s GLU 76 Ca 0.11 -0.79 0.01 0.00 0.36 0.00 0.00 54.97 54.66 3dlu s GLU 76 Cb -0.08 -2.50 -0.02 0.00 0.26 0.00 0.00 34.13 31.79 3dlu s GLU 76 CO 0.05 0.10 -0.06 0.45 -0.54 0.00 0.00 175.26 175.26 3dlu s SER 77 N 0.57 0.69 0.63 -1.70 0.15 0.15 -0.90 113.70 113.29 3dlu s SER 77 Ca -0.11 -0.59 0.36 0.00 0.70 0.00 0.00 55.95 56.31 3dlu s SER 77 Cb -0.16 0.07 2.03 0.00 -1.71 0.00 0.00 66.02 66.24 3dlu s SER 77 CO 0.04 -0.27 2.24 -0.65 1.20 0.00 0.00 173.24 175.80 3dlu h PRO 78 N 4.37 0.00 -5.64 5.44 0.11 -1.92 -1.44 132.00 132.92 3dlu h PRO 78 Ca -0.35 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.13 3dlu h PRO 78 Cb 1.20 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.18 3dlu h PRO 78 CO 0.44 0.00 -0.59 0.71 -0.21 0.00 0.00 178.00 178.35 3dlu s TYR 79 N -4.38 2.47 1.10 0.65 2.02 -1.26 -4.59 117.35 113.36 3dlu s TYR 79 Ca -0.05 -0.69 -0.13 0.00 -0.37 0.00 0.00 57.07 55.83 3dlu s TYR 79 Cb 0.14 -1.78 0.24 0.00 -0.40 0.00 0.00 41.96 40.16 3dlu s TYR 79 CO 0.46 0.41 1.06 0.20 -1.57 0.00 0.00 175.55 176.12 3dlu s GLY 80 N -3.74 1.55 0.10 0.71 0.00 -1.26 -1.71 107.32 102.97 3dlu s GLY 80 Ca 0.33 -0.36 -0.19 0.00 0.00 0.00 0.00 44.72 44.50 3dlu s GLY 80 CO 0.17 0.34 1.65 1.70 0.00 0.00 0.00 173.10 176.96 3dlu h LYS 81 N -2.29 0.33 -0.16 2.90 3.64 -1.96 -1.86 116.57 117.17 3dlu h LYS 81 Ca -0.57 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 58.80 3dlu h LYS 81 Cb 1.33 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 33.05 3dlu h LYS 81 CO 0.53 0.37 -0.16 1.03 -2.27 0.00 0.00 179.45 178.95 3dlu h SER 82 N 0.22 -0.51 -0.50 4.20 0.87 -2.00 0.11 113.55 115.94 3dlu h SER 82 Ca 0.08 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 3dlu h SER 82 Cb 0.15 0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 3dlu h SER 82 CO -0.01 -0.21 0.24 0.50 -0.53 0.00 0.00 176.83 176.83 3dlu h LYS 83 N -0.18 0.72 -0.81 2.24 3.64 -1.93 -2.70 116.57 117.55 3dlu h LYS 83 Ca 0.11 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3dlu h LYS 83 Cb 0.34 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 3dlu h LYS 83 CO -0.27 0.60 0.36 0.77 -2.27 0.00 0.00 179.45 178.63 3dlu h SER 84 N 0.67 1.08 -0.87 4.20 0.02 -0.66 -1.82 113.55 116.17 3dlu h SER 84 Ca 0.17 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3dlu h SER 84 Cb 0.11 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 3dlu h SER 84 CO -0.02 0.94 0.53 -0.07 -1.14 0.00 0.00 176.83 177.06 3dlu h LEU 85 N 1.16 1.05 -0.35 5.07 3.38 -0.62 0.16 115.31 125.17 3dlu h LEU 85 Ca 0.27 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 3dlu h LEU 85 Cb 0.17 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3dlu h LEU 85 CO -0.03 0.81 -0.10 0.11 0.09 0.00 0.00 178.44 179.32 3dlu h LYS 86 N 1.21 0.68 -0.61 1.13 1.57 -1.12 0.71 116.57 120.14 3dlu h LYS 86 Ca 0.31 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 3dlu h LYS 86 Cb -0.05 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3dlu h LYS 86 CO -0.06 0.85 0.20 -0.07 -0.57 0.00 0.00 179.45 179.80 3dlu h LEU 87 N 0.47 0.85 -0.23 2.94 3.38 -1.03 -0.99 115.31 120.71 3dlu h LEU 87 Ca 0.09 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3dlu h LEU 87 Cb 0.61 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3dlu h LEU 87 CO 0.04 0.79 -0.07 0.40 0.09 0.00 0.00 178.44 179.69 3dlu h ILE 88 N 0.89 1.29 -0.64 1.22 2.04 -0.75 -1.78 117.51 119.79 3dlu h ILE 88 Ca 0.20 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 64.97 3dlu h ILE 88 Cb 0.24 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 3dlu h ILE 88 CO -0.01 0.34 0.42 0.00 0.00 0.00 0.00 178.15 178.90 3dlu h ALA 89 N 0.74 0.81 -0.68 1.87 0.00 -0.59 -1.02 119.26 120.38 3dlu h ALA 89 Ca 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3dlu h ALA 89 Cb 0.54 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3dlu h ALA 89 CO 0.03 0.23 0.23 1.96 0.00 0.00 0.00 179.25 181.70 3dlu h GLN 90 N 0.86 1.03 -0.59 0.00 1.08 -1.13 -1.04 115.11 115.32 3dlu h GLN 90 Ca 0.23 -0.20 -0.08 0.00 -1.45 0.00 0.00 58.65 57.15 3dlu h GLN 90 Cb -0.10 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.15 3dlu h GLN 90 CO -0.05 0.87 0.04 -0.22 -0.95 0.00 0.00 178.83 178.51 3dlu h LYS 91 N 1.00 1.01 -0.66 1.46 1.63 -0.84 -1.50 116.57 118.68 3dlu h LYS 91 Ca 0.22 -0.30 -0.07 0.00 -0.85 0.00 0.00 60.65 59.65 3dlu h LYS 91 Cb 0.25 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.76 3dlu h LYS 91 CO -0.01 0.98 0.14 0.82 -3.45 0.00 0.00 179.45 177.93 3dlu h ILE 92 N 0.91 1.26 -0.76 2.00 2.04 -0.74 -0.85 117.51 121.36 3dlu h ILE 92 Ca 0.17 -0.98 0.04 0.00 1.00 0.00 0.00 64.86 65.09 3dlu h ILE 92 Cb 0.50 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 3dlu h ILE 92 CO 0.02 0.37 0.47 -0.09 0.00 0.00 0.00 178.15 178.92 3dlu h ARG 93 N 0.99 0.86 0.09 2.37 2.43 -0.95 -0.46 114.38 119.71 3dlu h ARG 93 Ca 0.20 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3dlu h ARG 93 Cb 0.40 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3dlu h ARG 93 CO 0.01 0.57 -0.08 0.93 -1.51 0.00 0.00 179.97 179.89 3dlu h GLU 94 N 0.89 -0.17 -0.72 0.20 5.08 -0.72 -0.62 114.58 118.51 3dlu h GLU 94 Ca 0.32 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.82 3dlu h GLU 94 Cb 0.09 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.29 3dlu h GLU 94 CO -0.14 -0.12 0.27 0.74 -1.00 0.00 0.00 179.01 178.77 3dlu h PHE 95 N -0.18 0.47 0.00 4.33 0.04 -0.70 -1.90 116.94 119.00 3dlu h PHE 95 Ca 0.00 0.04 -0.10 0.00 2.80 0.00 0.00 57.97 60.71 3dlu h PHE 95 Cb 0.17 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3dlu h PHE 95 CO -0.10 0.06 -0.45 0.00 -0.60 0.00 0.00 178.31 177.22 3dlu h ARG 96 N 0.42 0.00 -1.00 1.51 3.08 -0.68 -2.90 114.38 114.81 3dlu h ARG 96 Ca 0.39 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.44 3dlu h ARG 96 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 3dlu h ARG 96 CO -0.39 0.45 0.00 0.54 -1.07 0.00 0.00 179.97 179.51 3dlu n ARG 97 N -3.64 1.04 0.00 0.04 1.74 -0.28 -5.09 116.66 110.47 3dlu n ARG 97 Ca -0.01 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 3dlu n ARG 97 Cb 0.54 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 3dlu n ARG 97 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00