#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gzy s ALA 2 N 0.00 -1.36 0.36 -5.12 0.00 -1.26 -4.96 121.76 109.41 2gzy s ALA 2 Ca 0.00 1.27 -0.26 0.00 0.00 0.00 0.00 51.96 52.98 2gzy s ALA 2 Cb 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 23.12 22.53 2gzy s ALA 2 CO 0.00 -0.29 1.04 0.42 0.00 0.00 0.00 175.76 176.93 2gzy s ILE 3 N -0.38 3.76 0.36 0.00 1.01 -1.26 -4.76 121.20 119.92 2gzy s ILE 3 Ca -0.05 1.46 0.07 0.00 0.00 0.00 0.00 60.65 62.13 2gzy s ILE 3 Cb -0.03 -3.81 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 2gzy s ILE 3 CO 0.04 0.12 0.35 -0.69 0.00 0.00 0.00 174.94 174.75 2gzy s VAL 4 N -1.53 3.36 -0.01 2.92 1.01 0.18 -4.99 120.40 121.34 2gzy s VAL 4 Ca 0.53 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2gzy s VAL 4 Cb -0.24 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.00 2gzy s VAL 4 CO 0.30 -0.12 -0.00 -0.54 0.00 0.00 0.00 175.10 174.73 2gzy s LYS 5 N -4.07 0.17 0.22 2.72 3.01 -1.26 -0.75 119.74 119.78 2gzy s LYS 5 Ca 0.44 0.03 -0.04 0.00 -1.01 0.00 0.00 55.97 55.39 2gzy s LYS 5 Cb -0.06 -0.28 -0.03 0.00 -1.01 0.00 0.00 37.83 36.45 2gzy s LYS 5 CO 0.28 -0.06 0.24 0.00 0.51 0.00 0.00 175.35 176.32 2gzy s ALA 6 N 0.52 0.81 0.27 5.17 0.00 -0.60 -4.91 121.76 123.02 2gzy s ALA 6 Ca -0.05 -1.49 0.02 0.00 0.00 0.00 0.00 51.96 50.44 2gzy s ALA 6 Cb -0.07 1.30 -0.04 0.00 0.00 0.00 0.00 23.12 24.30 2gzy s ALA 6 CO -0.01 -0.67 0.12 0.95 0.00 0.00 0.00 175.76 176.15 2gzy s THR 7 N -4.05 0.43 0.49 0.00 -4.23 -1.26 -4.40 115.64 102.62 2gzy s THR 7 Ca 0.34 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.13 2gzy s THR 7 Cb 0.04 -2.58 0.47 0.00 1.34 0.00 0.00 72.50 71.78 2gzy s THR 7 CO 0.12 0.00 1.82 -0.78 -0.54 0.00 0.00 174.62 175.24 2gzy h ASP 8 N 2.33 0.17 0.14 3.99 3.58 -1.94 0.28 116.42 124.97 2gzy h ASP 8 Ca -0.36 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.08 2gzy h ASP 8 Cb 1.25 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.29 2gzy h ASP 8 CO 0.57 0.04 -0.16 1.56 -2.88 0.00 0.00 179.24 178.37 2gzy h GLN 9 N 0.16 0.04 0.00 0.28 7.50 -2.02 -3.37 115.11 117.70 2gzy h GLN 9 Ca 0.53 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.67 2gzy h GLN 9 Cb 1.79 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 29.31 2gzy h GLN 9 CO -0.11 0.20 0.00 0.43 -1.50 0.00 0.00 178.83 177.85 2gzy n SER 10 N -4.33 0.02 -0.14 1.46 7.64 -0.04 -4.83 113.62 113.40 2gzy n SER 10 Ca -0.02 -0.35 0.11 0.00 1.01 0.00 0.00 58.87 59.61 2gzy n SER 10 Cb 0.24 0.05 0.45 0.00 -1.01 0.00 0.00 64.21 63.93 2gzy n SER 10 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2gzy h PHE 11 N 0.00 0.57 -0.13 1.43 3.57 -0.71 -1.29 116.94 120.38 2gzy h PHE 11 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2gzy h PHE 11 Cb 0.15 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 2gzy h PHE 11 CO 0.00 0.27 0.06 0.66 -2.23 0.00 0.00 178.31 177.07 2gzy h SER 12 N 0.54 0.17 -0.47 0.41 4.64 -1.83 -0.16 113.55 116.85 2gzy h SER 12 Ca 0.32 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 2gzy h SER 12 Cb 0.52 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 2gzy h SER 12 CO -0.10 0.26 0.27 0.00 -0.87 0.00 0.00 176.83 176.39 2gzy h ALA 13 N 0.91 0.61 -0.52 5.18 0.00 -1.72 -2.95 119.26 120.77 2gzy h ALA 13 Ca 0.04 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2gzy h ALA 13 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2gzy h ALA 13 CO -0.00 0.12 0.03 0.93 0.00 0.00 0.00 179.25 180.32 2gzy h GLU 14 N 0.63 0.86 0.00 0.00 4.39 -1.04 -2.32 114.58 117.09 2gzy h GLU 14 Ca 0.17 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2gzy h GLU 14 Cb 0.03 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2gzy h GLU 14 CO -0.03 0.84 0.00 0.25 -1.16 0.00 0.00 179.01 178.91 2gzy n THR 15 N -4.22 0.00 -1.58 1.13 -2.24 -0.09 -3.96 114.28 103.32 2gzy n THR 15 Ca 0.03 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.65 2gzy n THR 15 Cb 0.30 -0.51 0.13 0.00 -2.10 0.00 0.00 70.33 68.14 2gzy n THR 15 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2gzy n SER 16 N -0.99 4.08 0.00 3.42 7.64 -0.87 -0.76 113.62 126.14 2gzy n SER 16 Ca 0.22 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.32 2gzy n SER 16 Cb 0.10 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 2gzy n SER 16 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2gzy n GLU 17 N -0.98 0.03 -3.68 1.43 1.02 -1.25 -4.73 120.64 112.48 2gzy n GLU 17 Ca 0.43 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 2gzy n GLU 17 Cb 0.98 -0.64 0.00 0.00 -0.02 0.00 0.00 31.44 31.76 2gzy n GLU 17 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gzy n GLY 18 N 0.06 -1.10 3.73 0.62 0.00 -1.26 -4.94 105.19 102.30 2gzy n GLY 18 Ca 0.00 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 2gzy n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gzy s VAL 19 N -3.00 3.56 -0.07 1.61 1.01 -1.26 -1.09 120.40 121.16 2gzy s VAL 19 Ca 0.00 1.27 -0.02 0.00 0.00 0.00 0.00 61.98 63.24 2gzy s VAL 19 Cb 0.00 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.60 2gzy s VAL 19 CO 0.00 0.18 0.03 -0.69 0.00 0.00 0.00 175.10 174.62 2gzy s VAL 20 N 0.17 0.21 -0.73 2.92 1.01 0.26 -1.16 120.40 123.08 2gzy s VAL 20 Ca 0.55 0.19 -0.21 0.00 0.00 0.00 0.00 61.98 62.50 2gzy s VAL 20 Cb -0.33 -0.43 0.09 0.00 0.00 0.00 0.00 36.38 35.71 2gzy s VAL 20 CO 0.36 0.20 0.99 -0.22 0.00 0.00 0.00 175.10 176.43 2gzy s LEU 21 N 2.04 4.60 0.46 3.92 2.96 0.14 -0.67 118.68 132.13 2gzy s LEU 21 Ca 0.05 -1.28 -0.21 0.00 -0.22 0.00 0.00 54.13 52.46 2gzy s LEU 21 Cb -0.12 -2.41 -0.09 0.00 0.50 0.00 0.00 46.19 44.06 2gzy s LEU 21 CO -0.05 -1.33 1.01 0.00 -1.32 0.00 0.00 176.35 174.66 2gzy s ALA 22 N 3.66 2.95 -0.32 5.97 0.00 0.03 -1.39 121.76 132.66 2gzy s ALA 22 Ca 0.24 0.56 -0.01 0.00 0.00 0.00 0.00 51.96 52.75 2gzy s ALA 22 Cb -0.14 -3.23 0.11 0.00 0.00 0.00 0.00 23.12 19.86 2gzy s ALA 22 CO 0.05 -0.17 0.12 0.34 0.00 0.00 0.00 175.76 176.10 2gzy s ASP 23 N -1.98 3.87 -0.31 0.00 2.15 -0.02 -1.44 116.67 118.94 2gzy s ASP 23 Ca 0.64 -1.73 -0.29 0.00 0.43 0.00 0.00 52.55 51.61 2gzy s ASP 23 Cb -0.15 -0.79 -0.00 0.00 -0.30 0.00 0.00 42.92 41.68 2gzy s ASP 23 CO 0.19 -0.40 1.42 -0.36 -0.17 0.00 0.00 175.17 175.85 2gzy s PHE 24 N 1.52 2.45 0.32 -5.34 0.40 0.08 -1.50 117.98 115.91 2gzy s PHE 24 Ca 0.11 0.74 0.04 0.00 -0.60 0.00 0.00 56.93 57.22 2gzy s PHE 24 Cb -0.18 -4.04 -0.03 0.00 0.51 0.00 0.00 43.02 39.27 2gzy s PHE 24 CO -0.23 -2.10 0.18 1.67 0.70 0.00 0.00 175.22 175.45 2gzy s TRP 25 N 4.94 1.64 -0.07 0.36 1.48 -0.59 -1.37 118.94 125.33 2gzy s TRP 25 Ca 0.62 -1.43 -0.14 0.00 -1.06 0.00 0.00 56.10 54.09 2gzy s TRP 25 Cb -0.18 -0.85 0.03 0.00 -1.16 0.00 0.00 33.47 31.31 2gzy s TRP 25 CO 0.27 -0.58 0.34 0.00 -4.06 0.00 0.00 176.95 172.92 2gzy s ALA 26 N -3.54 -0.85 0.04 2.67 0.00 -1.26 -1.40 121.76 117.42 2gzy s ALA 26 Ca 0.35 0.68 0.27 0.00 0.00 0.00 0.00 51.96 53.27 2gzy s ALA 26 Cb 0.04 -0.26 0.99 0.00 0.00 0.00 0.00 23.12 23.90 2gzy s ALA 26 CO 0.19 -0.22 1.85 -1.00 0.00 0.00 0.00 175.76 176.59 2gzy h PRO 27 N 4.71 0.00 -0.00 0.00 0.13 -2.00 -2.57 132.00 132.27 2gzy h PRO 27 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2gzy h PRO 27 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2gzy h PRO 27 CO 0.34 0.12 -0.16 -2.67 -0.23 0.00 0.00 178.00 175.40 2gzy n TRP 28 N -3.23 0.00 -2.88 1.56 2.14 -1.26 -4.80 117.44 108.97 2gzy n TRP 28 Ca 0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.16 2gzy n TRP 28 Cb 0.40 -0.33 -0.04 0.00 -0.81 0.00 0.00 31.31 30.53 2gzy n TRP 28 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2gzy h GLY 30 N 9.50 -0.85 0.13 0.00 0.00 -1.88 -2.59 103.07 107.38 2gzy h GLY 30 Ca -0.23 0.45 0.23 0.00 0.00 0.00 0.00 47.33 47.78 2gzy h GLY 30 CO 0.91 -0.29 0.63 -2.55 0.00 0.00 0.00 176.54 175.24 2gzy h PRO 31 N -0.71 0.42 -0.62 4.80 0.11 -1.94 0.75 132.00 134.81 2gzy h PRO 31 Ca -0.00 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 2gzy h PRO 31 Cb 0.68 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.67 2gzy h PRO 31 CO -0.14 0.28 0.28 0.00 -0.21 0.00 0.00 178.00 178.21 2gzy h LYS 33 N 0.88 0.76 -0.69 0.00 1.57 -0.71 -3.13 116.57 115.23 2gzy h LYS 33 Ca 0.21 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 2gzy h LYS 33 Cb 0.12 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 2gzy h LYS 33 CO -0.03 1.01 0.31 0.52 -0.57 0.00 0.00 179.45 180.70 2gzy h MET 34 N 0.52 0.99 0.00 3.15 2.86 -0.56 -2.22 114.93 119.68 2gzy h MET 34 Ca 0.05 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2gzy h MET 34 Cb 0.87 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.35 2gzy h MET 34 CO 0.07 0.78 0.00 0.97 1.06 0.00 0.00 176.91 179.80 2gzy h ILE 35 N 0.98 0.00 -0.10 -1.22 2.10 -1.19 -3.37 117.51 114.72 2gzy h ILE 35 Ca 0.24 -0.57 0.03 0.00 1.08 0.00 0.00 64.86 65.64 2gzy h ILE 35 Cb 0.13 1.55 -0.04 0.00 -1.09 0.00 0.00 36.82 37.38 2gzy h ILE 35 CO -0.03 0.00 -0.11 0.00 -1.08 0.00 0.00 178.15 176.94 2gzy h ALA 36 N 2.37 -0.03 -0.02 0.18 0.00 -1.34 0.03 119.26 120.45 2gzy h ALA 36 Ca 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2gzy h ALA 36 Cb 0.76 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2gzy h ALA 36 CO 0.00 -0.57 -0.20 -1.00 0.00 0.00 0.00 179.25 177.48 2gzy h PRO 37 N -0.13 0.04 -0.55 0.00 0.13 -1.74 -1.12 132.00 128.61 2gzy h PRO 37 Ca 0.07 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.14 2gzy h PRO 37 Cb 0.24 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.34 2gzy h PRO 37 CO -0.18 0.24 0.12 0.28 -0.23 0.00 0.00 178.00 178.23 2gzy h VAL 38 N 0.03 1.25 -0.17 1.56 2.07 -1.53 -0.02 116.25 119.45 2gzy h VAL 38 Ca 0.01 -0.91 -0.08 0.00 0.82 0.00 0.00 66.70 66.53 2gzy h VAL 38 Cb 0.38 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2gzy h VAL 38 CO 0.03 0.33 -0.26 -0.07 0.02 0.00 0.00 177.57 177.62 2gzy h LEU 39 N 0.79 0.31 -0.62 2.57 3.38 -0.39 -0.25 115.31 121.10 2gzy h LEU 39 Ca 0.17 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 2gzy h LEU 39 Cb 0.37 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2gzy h LEU 39 CO 0.01 0.58 -0.26 -0.33 0.09 0.00 0.00 178.44 178.52 2gzy h GLU 40 N 0.28 0.80 -0.11 1.13 5.08 -0.77 0.21 114.58 121.20 2gzy h GLU 40 Ca 0.04 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 2gzy h GLU 40 Cb 0.62 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2gzy h GLU 40 CO 0.04 0.97 -0.17 0.93 -1.00 0.00 0.00 179.01 179.79 2gzy h GLU 41 N 0.69 0.18 0.05 2.33 5.08 -0.61 -1.44 114.58 120.86 2gzy h GLU 41 Ca 0.09 -0.04 -0.27 0.00 -1.00 0.00 0.00 59.36 58.13 2gzy h GLU 41 Cb 0.79 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.04 2gzy h GLU 41 CO 0.07 0.35 -1.11 1.25 -1.00 0.00 0.00 179.01 178.57 2gzy h LEU 42 N 0.17 0.80 -0.99 1.33 5.85 -0.70 -3.22 115.31 118.55 2gzy h LEU 42 Ca 0.03 -0.69 -0.06 0.00 0.84 0.00 0.00 57.88 58.00 2gzy h LEU 42 Cb 0.40 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2gzy h LEU 42 CO 0.03 1.49 0.02 -0.78 -0.34 0.00 0.00 178.44 178.86 2gzy h ASP 43 N 0.30 0.72 1.48 1.25 3.58 -0.28 0.16 116.42 123.63 2gzy h ASP 43 Ca -0.14 -0.16 -0.04 0.00 0.42 0.00 0.00 57.03 57.11 2gzy h ASP 43 Cb 1.77 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 42.63 2gzy h ASP 43 CO 0.21 0.77 -0.17 0.06 -2.88 0.00 0.00 179.24 177.23 2gzy h GLN 44 N 0.71 0.00 0.03 0.28 3.07 -1.37 0.13 115.11 117.98 2gzy h GLN 44 Ca 0.14 0.00 -0.35 0.00 0.09 0.00 0.00 58.65 58.54 2gzy h GLN 44 Cb 0.40 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.91 2gzy h GLN 44 CO 0.01 0.17 -2.09 0.39 0.09 0.00 0.00 178.83 177.40 2gzy n GLU 45 N -3.19 0.68 0.00 0.06 1.02 -1.01 -4.77 120.64 113.44 2gzy n GLU 45 Ca 0.02 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 2gzy n GLU 45 Cb 0.52 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 2gzy n GLU 45 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2gzy n MET 46 N -3.14 0.43 -0.81 3.49 2.81 0.51 -4.93 117.12 115.48 2gzy n MET 46 Ca -0.30 -0.04 -0.10 0.00 -1.81 0.00 0.00 57.70 55.45 2gzy n MET 46 Cb 1.06 -0.35 -0.14 0.00 -0.71 0.00 0.00 33.22 33.08 2gzy n MET 46 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2gzy n GLY 47 N 0.07 2.62 0.14 3.03 0.00 0.39 -1.10 105.19 110.34 2gzy n GLY 47 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2gzy n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gzy n ASP 48 N 2.57 0.00 -0.16 1.61 2.03 -1.26 -0.93 116.55 120.41 2gzy n ASP 48 Ca 0.34 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.65 2gzy n ASP 48 Cb 0.75 0.03 0.24 0.00 -0.72 0.00 0.00 41.12 41.41 2gzy n ASP 48 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2gzy h LYS 49 N 0.00 0.88 -4.87 -0.67 1.57 -1.48 -3.44 116.57 108.56 2gzy h LYS 49 Ca 0.00 -0.10 -0.32 0.00 -1.87 0.00 0.00 60.65 58.36 2gzy h LYS 49 Cb 0.00 -0.17 -0.15 0.00 0.08 0.00 0.00 32.23 31.99 2gzy h LYS 49 CO 0.00 0.67 -0.65 -0.48 -0.57 0.00 0.00 179.45 178.42 2gzy s LEU 50 N -9.60 2.05 0.09 2.94 2.34 -0.29 -4.60 118.68 111.61 2gzy s LEU 50 Ca -0.10 -1.22 0.02 0.00 0.06 0.00 0.00 54.13 52.89 2gzy s LEU 50 Cb 0.17 -0.09 -0.04 0.00 -0.56 0.00 0.00 46.19 45.67 2gzy s LEU 50 CO 0.79 -0.58 0.20 -0.75 -1.06 0.00 0.00 176.35 174.94 2gzy s LYS 51 N -3.92 3.29 -0.08 1.48 2.20 -0.31 -4.09 119.74 118.31 2gzy s LYS 51 Ca 0.27 -0.56 0.03 0.00 -0.36 0.00 0.00 55.97 55.35 2gzy s LYS 51 Cb 0.06 -2.93 -0.02 0.00 -1.51 0.00 0.00 37.83 33.44 2gzy s LYS 51 CO 0.06 0.57 -0.18 0.42 -0.36 0.00 0.00 175.35 175.86 2gzy s ILE 52 N -1.57 2.65 -0.12 5.43 1.01 -1.26 -0.68 121.20 126.66 2gzy s ILE 52 Ca 0.33 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 2gzy s ILE 52 Cb -0.12 -2.04 0.03 0.00 0.01 0.00 0.00 42.46 40.34 2gzy s ILE 52 CO 0.27 0.56 -0.03 -0.69 0.00 0.00 0.00 174.94 175.05 2gzy s VAL 53 N -0.14 0.72 0.37 2.92 1.01 -0.48 -0.65 120.40 124.15 2gzy s VAL 53 Ca -0.02 -0.24 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 2gzy s VAL 53 Cb -0.14 -0.90 -0.09 0.00 0.00 0.00 0.00 36.38 35.25 2gzy s VAL 53 CO 0.04 0.19 1.04 -0.54 0.00 0.00 0.00 175.10 175.83 2gzy s LYS 54 N 1.81 4.29 -0.15 2.72 -0.14 0.07 -0.84 119.74 127.49 2gzy s LYS 54 Ca 0.03 1.53 -0.05 0.00 -1.36 0.00 0.00 55.97 56.12 2gzy s LYS 54 Cb -0.14 -2.67 0.07 0.00 -1.68 0.00 0.00 37.83 33.42 2gzy s LYS 54 CO -0.07 -0.04 0.30 -1.50 -0.76 0.00 0.00 175.35 173.29 2gzy s ILE 55 N -1.58 -0.47 -0.37 2.17 2.07 -0.56 -1.56 121.20 120.89 2gzy s ILE 55 Ca 0.55 0.22 -0.27 0.00 -1.41 0.00 0.00 60.65 59.74 2gzy s ILE 55 Cb -0.23 -0.52 0.02 0.00 0.13 0.00 0.00 42.46 41.86 2gzy s ILE 55 CO 0.29 0.08 0.98 -0.62 -1.91 0.00 0.00 174.94 173.77 2gzy s ASP 56 N 2.47 6.72 0.58 4.50 2.15 -1.26 -1.54 116.67 130.29 2gzy s ASP 56 Ca 0.01 0.65 0.34 0.00 0.43 0.00 0.00 52.55 53.99 2gzy s ASP 56 Cb -0.12 -2.49 1.82 0.00 -0.30 0.00 0.00 42.92 41.82 2gzy s ASP 56 CO -0.10 -0.92 2.19 -0.37 -0.17 0.00 0.00 175.17 175.81 2gzy h VAL 57 N 5.86 0.32 -0.03 1.11 -1.51 -1.53 -1.32 116.25 119.15 2gzy h VAL 57 Ca -0.23 -0.26 -0.06 0.00 -1.23 0.00 0.00 66.70 64.92 2gzy h VAL 57 Cb 1.07 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 31.41 2gzy h VAL 57 CO 1.01 0.04 -0.28 -0.78 -1.23 0.00 0.00 177.57 176.33 2gzy h ASP 58 N 0.00 0.06 0.01 4.19 3.58 -1.92 -3.04 116.42 119.29 2gzy h ASP 58 Ca -0.00 -0.02 -0.39 0.00 0.42 0.00 0.00 57.03 57.05 2gzy h ASP 58 Cb 0.18 -0.02 -0.07 0.00 1.72 0.00 0.00 39.33 41.15 2gzy h ASP 58 CO 0.01 0.34 -2.46 -0.62 -2.88 0.00 0.00 179.24 173.63 2gzy n GLU 59 N -4.18 0.66 -1.23 0.28 1.02 -1.11 -4.65 120.64 111.41 2gzy n GLU 59 Ca -0.02 0.14 -0.22 0.00 -0.02 0.00 0.00 57.16 57.04 2gzy n GLU 59 Cb 0.35 -1.53 -0.03 0.00 -0.02 0.00 0.00 31.44 30.21 2gzy n GLU 59 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2gzy n ASN 60 N -3.23 6.38 -0.27 1.62 3.02 -0.51 -4.52 115.26 117.75 2gzy n ASN 60 Ca -0.45 -3.10 0.01 0.00 -0.03 0.00 0.00 54.58 51.01 2gzy n ASN 60 Cb 1.00 -1.18 0.13 0.00 -0.61 0.00 0.00 39.78 39.12 2gzy n ASN 60 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2gzy h GLN 61 N 2.43 0.75 0.00 3.52 4.20 -1.80 -0.84 115.11 123.37 2gzy h GLN 61 Ca 0.34 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.95 2gzy h GLN 61 Cb 0.85 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 2gzy h GLN 61 CO 0.78 0.49 -0.28 0.93 -0.67 0.00 0.00 178.83 180.09 2gzy h GLU 62 N 0.77 0.00 0.06 1.46 4.39 -1.91 -0.25 114.58 119.10 2gzy h GLU 62 Ca 0.35 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.79 2gzy h GLU 62 Cb 0.26 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 2gzy h GLU 62 CO -0.21 0.28 -1.41 1.15 -1.16 0.00 0.00 179.01 177.66 2gzy h THR 63 N 0.00 0.92 -0.33 1.13 2.02 -1.75 -3.02 112.91 111.88 2gzy h THR 63 Ca -0.00 -2.28 -0.02 0.00 0.77 0.00 0.00 66.41 64.88 2gzy h THR 63 Cb 0.59 2.47 -0.01 0.00 -1.74 0.00 0.00 68.15 69.46 2gzy h THR 63 CO 0.04 0.57 0.14 0.00 0.37 0.00 0.00 175.52 176.64 2gzy h ALA 64 N -0.22 0.43 0.00 6.16 0.00 -1.15 -1.62 119.26 122.86 2gzy h ALA 64 Ca -0.34 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2gzy h ALA 64 Cb 1.58 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 2gzy h ALA 64 CO -0.06 0.01 -0.01 0.78 0.00 0.00 0.00 179.25 179.97 2gzy h GLY 65 N 0.39 0.00 1.75 0.00 0.00 -0.97 -0.10 103.07 104.14 2gzy h GLY 65 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.46 2gzy h GLY 65 CO -0.01 0.00 0.11 1.70 0.00 0.00 0.00 176.54 178.34 2gzy h LYS 66 N 0.00 0.00 0.00 4.80 3.64 -1.15 -1.87 116.57 121.99 2gzy h LYS 66 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2gzy h LYS 66 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2gzy h LYS 66 CO 0.00 0.00 -0.04 0.66 -2.27 0.00 0.00 179.45 177.80 2gzy n TYR 67 N -3.53 0.00 -1.32 1.91 4.01 -0.72 -4.99 117.16 112.50 2gzy n TYR 67 Ca -0.01 -0.49 -0.11 0.00 -0.16 0.00 0.00 57.90 57.12 2gzy n TYR 67 Cb 0.20 -0.06 -0.05 0.00 -0.31 0.00 0.00 39.34 39.11 2gzy n TYR 67 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gzy n GLY 68 N -0.60 1.23 3.75 2.72 0.00 -0.70 -5.01 105.19 106.58 2gzy n GLY 68 Ca 0.04 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 2gzy n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gzy s VAL 69 N -2.39 4.64 0.00 1.61 1.01 -0.13 -4.91 120.40 120.23 2gzy s VAL 69 Ca 0.00 1.68 0.06 0.00 0.00 0.00 0.00 61.98 63.72 2gzy s VAL 69 Cb 0.00 -4.13 0.10 0.00 0.00 0.00 0.00 36.38 32.35 2gzy s VAL 69 CO 0.00 0.39 0.98 0.23 0.00 0.00 0.00 175.10 176.70 2gzy n MET 70 N 2.57 0.00 -4.05 2.72 2.81 -1.26 -3.09 117.12 116.81 2gzy n MET 70 Ca -0.03 -1.11 -0.10 0.00 -1.81 0.00 0.00 57.70 54.65 2gzy n MET 70 Cb 0.50 0.27 -0.11 0.00 -0.71 0.00 0.00 33.22 33.17 2gzy n MET 70 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2gzy s SER 71 N -1.11 0.60 0.08 7.83 0.01 -1.26 -5.17 113.70 114.68 2gzy s SER 71 Ca 0.08 -0.66 -0.07 0.00 1.31 0.00 0.00 55.95 56.61 2gzy s SER 71 Cb 0.09 0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.41 2gzy s SER 71 CO -0.04 -0.33 0.15 0.27 0.41 0.00 0.00 173.24 173.70 2gzy s ILE 72 N -2.08 0.16 0.32 1.44 -0.00 -1.26 -4.27 121.20 115.51 2gzy s ILE 72 Ca -0.07 -1.30 -0.29 0.00 -0.00 0.00 0.00 60.65 59.00 2gzy s ILE 72 Cb -0.05 -1.38 -0.10 0.00 -0.00 0.00 0.00 42.46 40.92 2gzy s ILE 72 CO -0.02 -0.71 1.31 -2.16 -0.00 0.00 0.00 174.94 173.36 2gzy s PRO 73 N -3.87 4.35 -0.12 0.37 0.04 -1.26 -4.82 135.00 129.69 2gzy s PRO 73 Ca 0.06 2.21 -0.01 0.00 0.04 0.00 0.00 61.00 63.30 2gzy s PRO 73 Cb 0.05 -3.08 0.03 0.00 0.04 0.00 0.00 34.50 31.55 2gzy s PRO 73 CO -0.11 -0.20 -0.03 0.99 0.04 0.00 0.00 177.00 177.69 2gzy s THR 74 N -1.03 0.77 -0.04 1.26 2.01 -0.47 -0.83 115.64 117.31 2gzy s THR 74 Ca 0.50 -0.26 -0.16 0.00 0.31 0.00 0.00 61.69 62.08 2gzy s THR 74 Cb -0.40 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.13 2gzy s THR 74 CO 0.52 0.21 0.43 -0.76 -0.69 0.00 0.00 174.62 174.33 2gzy s LEU 75 N 1.80 4.41 -0.09 4.42 1.43 0.31 -0.74 118.68 130.22 2gzy s LEU 75 Ca 0.03 0.92 0.04 0.00 -1.03 0.00 0.00 54.13 54.09 2gzy s LEU 75 Cb -0.14 -2.62 -0.00 0.00 0.03 0.00 0.00 46.19 43.46 2gzy s LEU 75 CO -0.07 0.22 -0.23 -0.76 0.23 0.00 0.00 176.35 175.74 2gzy s LEU 76 N -0.53 2.04 -0.21 1.79 1.02 -0.52 -0.85 118.68 121.42 2gzy s LEU 76 Ca 0.24 -0.52 -0.17 0.00 0.02 0.00 0.00 54.13 53.71 2gzy s LEU 76 Cb -0.16 -1.33 -0.04 0.00 0.02 0.00 0.00 46.19 44.68 2gzy s LEU 76 CO 0.12 0.16 0.44 -0.69 0.02 0.00 0.00 176.35 176.40 2gzy s VAL 77 N 0.29 5.16 0.26 -1.59 1.01 -0.18 -0.79 120.40 124.57 2gzy s VAL 77 Ca -0.16 0.78 0.11 0.00 0.00 0.00 0.00 61.98 62.71 2gzy s VAL 77 Cb -0.17 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 2gzy s VAL 77 CO 0.07 0.21 -0.17 -0.76 0.00 0.00 0.00 175.10 174.46 2gzy s LEU 78 N 1.52 2.67 -0.09 3.92 1.02 0.15 -0.44 118.68 127.44 2gzy s LEU 78 Ca 0.20 -0.93 -0.04 0.00 0.02 0.00 0.00 54.13 53.38 2gzy s LEU 78 Cb -0.15 -1.22 0.05 0.00 0.02 0.00 0.00 46.19 44.88 2gzy s LEU 78 CO 0.09 0.05 0.21 -0.75 0.02 0.00 0.00 176.35 175.96 2gzy s LYS 79 N -3.40 0.13 -1.58 1.70 2.20 0.30 -0.58 119.74 118.52 2gzy s LYS 79 Ca 0.29 0.53 -0.18 0.00 -0.36 0.00 0.00 55.97 56.24 2gzy s LYS 79 Cb -0.06 -0.15 0.16 0.00 -1.51 0.00 0.00 37.83 36.28 2gzy s LYS 79 CO 0.15 -0.21 0.63 -3.47 -0.36 0.00 0.00 175.35 172.09 2gzy n ASP 80 N 4.59 -2.72 0.00 1.43 2.03 -0.25 -2.04 116.55 119.60 2gzy n ASP 80 Ca -0.19 -0.89 0.00 0.00 0.52 0.00 0.00 54.79 54.23 2gzy n ASP 80 Cb 0.51 -2.28 0.00 0.00 -0.72 0.00 0.00 41.12 38.64 2gzy n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2gzy n GLY 81 N -1.18 0.80 3.10 0.27 0.00 0.06 -4.79 105.19 103.45 2gzy n GLY 81 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 2gzy n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gzy s GLU 82 N -0.94 0.96 0.29 1.61 0.41 -0.86 -4.94 118.70 115.23 2gzy s GLU 82 Ca 0.00 -0.56 -0.29 0.00 -0.41 0.00 0.00 54.97 53.71 2gzy s GLU 82 Cb 0.00 -0.94 -0.10 0.00 -1.78 0.00 0.00 34.13 31.31 2gzy s GLU 82 CO 0.00 0.25 1.29 0.54 -0.49 0.00 0.00 175.26 176.84 2gzy s VAL 83 N -0.52 2.94 0.00 2.63 0.11 -1.26 -0.54 120.40 123.76 2gzy s VAL 83 Ca 0.03 0.89 0.00 0.00 -2.93 0.00 0.00 61.98 59.97 2gzy s VAL 83 Cb -0.06 -3.57 0.00 0.00 -1.53 0.00 0.00 36.38 31.22 2gzy s VAL 83 CO 0.00 0.19 0.00 1.33 -3.33 0.00 0.00 175.10 173.29 2gzy n VAL 84 N 1.40 0.00 -3.88 2.04 0.24 0.42 -4.89 118.33 113.66 2gzy n VAL 84 Ca 0.02 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.23 2gzy n VAL 84 Cb 0.42 0.26 -0.05 0.00 -1.47 0.00 0.00 33.84 33.01 2gzy n VAL 84 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2gzy s GLU 85 N -1.35 1.42 -0.11 7.34 0.41 -0.60 -4.97 118.70 120.84 2gzy s GLU 85 Ca 0.00 -1.06 -0.11 0.00 -0.41 0.00 0.00 54.97 53.39 2gzy s GLU 85 Cb 0.00 0.48 0.03 0.00 -1.78 0.00 0.00 34.13 32.86 2gzy s GLU 85 CO 0.00 -0.59 0.31 0.99 -0.49 0.00 0.00 175.26 175.48 2gzy s THR 86 N -3.94 0.01 0.06 3.63 2.01 -1.26 -1.01 115.64 115.13 2gzy s THR 86 Ca 0.15 -0.05 -0.10 0.00 0.31 0.00 0.00 61.69 62.00 2gzy s THR 86 Cb -0.00 -0.45 0.01 0.00 0.01 0.00 0.00 72.50 72.06 2gzy s THR 86 CO 0.02 -0.03 0.22 -0.44 -0.69 0.00 0.00 174.62 173.71 2gzy s SER 87 N 0.01 0.02 0.05 3.53 0.01 -0.03 -5.01 113.70 112.29 2gzy s SER 87 Ca -0.01 -0.42 0.04 0.00 1.31 0.00 0.00 55.95 56.87 2gzy s SER 87 Cb -0.03 0.32 -0.03 0.00 0.21 0.00 0.00 66.02 66.50 2gzy s SER 87 CO 0.01 -0.63 -0.11 -0.69 0.41 0.00 0.00 173.24 172.22 2gzy s VAL 88 N -3.01 0.85 0.01 3.43 1.01 -1.26 -0.53 120.40 120.90 2gzy s VAL 88 Ca -0.02 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.80 2gzy s VAL 88 Cb 0.01 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.54 2gzy s VAL 88 CO -0.06 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.38 2gzy n GLY 89 N 1.45 -1.68 3.70 4.51 0.00 -0.01 -4.92 105.19 108.23 2gzy n GLY 89 Ca -0.21 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 43.93 2gzy n GLY 89 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2gzy n PHE 90 N -1.94 1.63 -3.67 1.61 7.35 -1.26 -4.88 117.46 116.29 2gzy n PHE 90 Ca -0.00 0.42 -0.15 0.00 -0.76 0.00 0.00 57.45 56.96 2gzy n PHE 90 Cb 0.01 -2.22 -0.08 0.00 0.35 0.00 0.00 39.48 37.54 2gzy n PHE 90 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2gzy s LYS 91 N -3.35 0.76 0.70 -4.13 1.02 -1.26 -5.16 119.74 108.32 2gzy s LYS 91 Ca 0.81 0.19 -0.11 0.00 0.02 0.00 0.00 55.97 56.87 2gzy s LYS 91 Cb -0.37 0.36 0.02 0.00 -0.52 0.00 0.00 37.83 37.31 2gzy s LYS 91 CO 0.43 -0.20 1.07 -1.25 -0.92 0.00 0.00 175.35 174.48 2gzy s PRO 92 N -0.85 2.78 0.36 -1.68 0.04 -1.26 -4.83 135.00 129.56 2gzy s PRO 92 Ca -0.09 1.05 0.05 0.00 0.04 0.00 0.00 61.00 62.06 2gzy s PRO 92 Cb -0.03 -1.97 0.72 0.00 0.04 0.00 0.00 34.50 33.27 2gzy s PRO 92 CO 0.05 -1.23 1.95 -0.22 0.04 0.00 0.00 177.00 177.60 2gzy h LYS 93 N -0.69 0.76 -0.53 4.56 3.64 -1.99 -0.67 116.57 121.65 2gzy h LYS 93 Ca -0.44 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.86 2gzy h LYS 93 Cb 1.22 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.84 2gzy h LYS 93 CO 0.55 0.50 0.21 0.93 -2.27 0.00 0.00 179.45 179.37 2gzy h GLU 94 N 0.78 0.77 -0.25 1.90 4.39 -1.97 0.88 114.58 121.07 2gzy h GLU 94 Ca 0.32 -0.11 -0.18 0.00 0.34 0.00 0.00 59.36 59.73 2gzy h GLU 94 Cb 0.27 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2gzy h GLU 94 CO -0.11 0.63 -0.57 0.00 -1.16 0.00 0.00 179.01 177.81 2gzy h ALA 95 N 1.47 0.40 -0.49 3.43 0.00 -1.53 -2.26 119.26 120.29 2gzy h ALA 95 Ca 0.18 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2gzy h ALA 95 Cb 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2gzy h ALA 95 CO -0.02 0.63 0.14 -0.07 0.00 0.00 0.00 179.25 179.94 2gzy h LEU 96 N 0.58 0.72 -1.00 0.00 3.38 -0.83 -0.05 115.31 118.10 2gzy h LEU 96 Ca -0.00 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 2gzy h LEU 96 Cb 1.18 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2gzy h LEU 96 CO 0.12 0.74 -0.42 0.06 0.09 0.00 0.00 178.44 179.04 2gzy h GLN 97 N 0.66 0.16 -0.03 1.13 -0.00 -0.88 -0.24 115.11 115.90 2gzy h GLN 97 Ca 0.16 -0.08 -0.00 0.00 -0.00 0.00 0.00 58.65 58.73 2gzy h GLN 97 Cb 0.29 -0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.76 2gzy h GLN 97 CO -0.00 0.56 0.01 1.49 -0.00 0.00 0.00 178.83 180.88 2gzy h GLU 98 N 0.14 0.05 -0.60 0.06 4.81 -0.95 0.55 114.58 118.63 2gzy h GLU 98 Ca 0.01 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2gzy h GLU 98 Cb 0.80 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.13 2gzy h GLU 98 CO 0.06 0.25 0.33 1.25 -0.73 0.00 0.00 179.01 180.17 2gzy h LEU 99 N -0.16 0.49 -0.18 1.64 5.85 -0.71 -2.27 115.31 119.99 2gzy h LEU 99 Ca 0.01 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2gzy h LEU 99 Cb 0.22 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2gzy h LEU 99 CO -0.00 0.33 0.02 0.58 -0.34 0.00 0.00 178.44 179.03 2gzy h VAL 100 N 0.62 1.23 0.00 1.05 2.07 -0.89 -3.11 116.25 117.23 2gzy h VAL 100 Ca 0.26 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 2gzy h VAL 100 Cb 0.15 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2gzy h VAL 100 CO -0.16 0.23 -0.12 -0.55 0.02 0.00 0.00 177.57 176.99 2gzy h ASN 101 N 0.08 0.00 0.50 0.57 7.08 -0.42 0.15 115.58 123.53 2gzy h ASN 101 Ca 0.05 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.27 2gzy h ASN 101 Cb 0.33 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.57 2gzy h ASN 101 CO 0.00 0.12 0.00 0.11 -2.08 0.00 0.00 177.43 175.58 2gzy h LYS 102 N 0.00 0.00 0.00 4.14 1.79 -1.35 -3.27 116.57 117.88 2gzy h LYS 102 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2gzy h LYS 102 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 2gzy h LYS 102 CO 0.02 0.00 -0.05 0.72 -1.08 0.00 0.00 179.45 179.06 2gzy n HIS 103 N -2.52 0.00 0.00 -1.35 8.25 0.37 -5.13 115.22 114.85 2gzy n HIS 103 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2gzy n HIS 103 Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 2gzy n HIS 103 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26