#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zca h PRO 3 N 0.00 0.98 -0.44 4.33 0.11 -1.99 -0.94 132.00 134.06 2zca h PRO 3 Ca 0.00 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.00 2zca h PRO 3 Cb 0.00 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 30.87 2zca h PRO 3 CO 0.00 0.65 0.08 0.78 -0.21 0.00 0.00 178.00 179.30 2zca h GLY 4 N 1.01 0.77 1.27 -0.55 0.00 -1.90 -1.65 103.07 102.02 2zca h GLY 4 Ca 0.41 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 2zca h GLY 4 CO -0.17 0.47 -0.08 0.83 0.00 0.00 0.00 176.54 177.59 2zca h GLU 5 N 0.58 0.86 -0.49 4.80 5.08 -1.62 -1.10 114.58 122.69 2zca h GLU 5 Ca 0.13 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 2zca h GLU 5 Cb 0.36 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2zca h GLU 5 CO 0.01 0.91 0.15 0.00 -1.00 0.00 0.00 179.01 179.08 2zca h ARG 6 N 0.78 0.76 -0.23 2.33 3.08 -1.04 -1.90 114.38 118.18 2zca h ARG 6 Ca 0.13 -0.17 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 2zca h ARG 6 Cb 0.58 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2zca h ARG 6 CO 0.04 0.72 -0.43 0.35 -1.07 0.00 0.00 179.97 179.58 2zca h PHE 7 N 0.66 0.66 -0.82 3.04 3.57 -1.16 -2.41 116.94 120.48 2zca h PHE 7 Ca 0.16 -0.20 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 2zca h PHE 7 Cb 0.28 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 2zca h PHE 7 CO 0.02 0.89 0.38 1.25 -2.23 0.00 0.00 178.31 178.62 2zca h LEU 8 N 0.45 1.08 -0.61 0.59 5.85 -1.00 0.23 115.31 121.91 2zca h LEU 8 Ca 0.03 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 2zca h LEU 8 Cb 0.93 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 2zca h LEU 8 CO 0.08 0.92 0.36 -0.78 -0.34 0.00 0.00 178.44 178.68 2zca h ASP 9 N 1.17 0.73 -0.19 1.25 3.58 -1.13 0.53 116.42 122.37 2zca h ASP 9 Ca 0.28 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.67 2zca h ASP 9 Cb 0.13 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 2zca h ASP 9 CO -0.03 0.58 0.12 -0.25 -2.88 0.00 0.00 179.24 176.78 2zca h TRP 10 N 0.82 0.24 -0.68 0.28 2.91 -0.87 -0.14 115.95 118.52 2zca h TRP 10 Ca 0.22 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.21 2zca h TRP 10 Cb -0.01 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 28.53 2zca h TRP 10 CO -0.02 0.18 0.30 -0.07 -1.03 0.00 0.00 178.44 177.80 2zca h LEU 11 N 0.24 0.91 -1.06 0.65 3.38 -0.66 -1.16 115.31 117.61 2zca h LEU 11 Ca 0.07 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2zca h LEU 11 Cb -0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2zca h LEU 11 CO -0.01 0.81 0.10 0.11 0.09 0.00 0.00 178.44 179.54 2zca h LYS 12 N 0.96 0.78 -0.48 1.13 1.79 -0.62 -0.04 116.57 120.07 2zca h LYS 12 Ca 0.23 -0.16 -0.08 0.00 -2.18 0.00 0.00 60.65 58.46 2zca h LYS 12 Cb 0.16 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 2zca h LYS 12 CO -0.02 0.72 -0.03 -0.09 -1.08 0.00 0.00 179.45 178.95 2zca h ARG 13 N 0.75 0.87 -0.40 3.15 2.43 -0.63 -2.41 114.38 118.14 2zca h ARG 13 Ca 0.16 -0.29 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 2zca h ARG 13 Cb 0.30 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2zca h ARG 13 CO 0.00 0.92 0.19 1.25 -1.51 0.00 0.00 179.97 180.82 2zca h LEU 14 N 0.72 0.53 -2.36 3.80 6.46 -0.71 -2.14 115.31 121.60 2zca h LEU 14 Ca 0.13 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 2zca h LEU 14 Cb 0.55 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.34 2zca h LEU 14 CO 0.03 0.51 -0.03 -0.61 -0.62 0.00 0.00 178.44 177.72 2zca h GLN 15 N 0.51 0.00 -0.01 1.25 4.15 -0.88 -0.92 115.11 119.21 2zca h GLN 15 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.56 2zca h GLN 15 Cb 0.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.81 2zca h GLN 15 CO -0.02 0.03 -0.25 0.41 -1.93 0.00 0.00 178.83 177.07 2zca n GLY 16 N -0.80 -0.80 3.96 2.39 0.00 -0.83 -4.80 105.19 104.31 2zca n GLY 16 Ca -0.02 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 2zca n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2zca s GLN 17 N -2.58 3.32 0.55 1.61 -0.21 -0.35 -4.99 119.66 117.01 2zca s GLN 17 Ca 0.23 -0.60 0.33 0.00 0.02 0.00 0.00 55.36 55.34 2zca s GLN 17 Cb 0.19 -2.73 1.57 0.00 1.00 0.00 0.00 33.01 33.04 2zca s GLN 17 CO 0.54 0.12 2.08 -0.22 -2.12 0.00 0.00 175.29 175.68 2zca h LYS 18 N 0.81 0.00 0.00 2.91 3.64 -1.91 -1.79 116.57 120.23 2zca h LYS 18 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2zca h LYS 18 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2zca h LYS 18 CO 0.59 0.07 0.00 0.00 -2.27 0.00 0.00 179.45 177.84 2zca n ALA 19 N -2.17 2.40 -0.03 5.00 0.00 -1.26 -3.95 120.51 120.49 2zca n ALA 19 Ca -0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 2zca n ALA 19 Cb 0.25 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 2zca n ALA 19 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 2zca h TRP 20 N 0.00 -0.05 -0.69 0.00 -0.00 -1.41 -0.32 115.95 113.48 2zca h TRP 20 Ca 0.00 0.01 0.15 0.00 -0.00 0.00 0.00 58.89 59.05 2zca h TRP 20 Cb 0.09 0.05 -0.11 0.00 -0.00 0.00 0.00 29.16 29.19 2zca h TRP 20 CO 0.00 -0.05 0.10 1.15 -0.00 0.00 0.00 178.44 179.65 2zca h THR 21 N 0.03 0.50 -0.29 2.65 2.02 -1.82 0.61 112.91 116.61 2zca h THR 21 Ca 0.09 -0.07 -0.16 0.00 0.77 0.00 0.00 66.41 67.04 2zca h THR 21 Cb 0.12 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 2zca h THR 21 CO -0.16 0.04 -0.45 0.00 0.37 0.00 0.00 175.52 175.31 2zca h ALA 22 N 1.59 0.65 -0.06 6.16 0.00 -1.75 -2.04 119.26 123.80 2zca h ALA 22 Ca 0.38 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2zca h ALA 22 Cb 0.63 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2zca h ALA 22 CO -0.52 0.67 0.01 0.00 0.00 0.00 0.00 179.25 179.42 2zca h ALA 23 N 0.88 0.08 -0.91 0.00 0.00 0.80 -1.66 119.26 118.45 2zca h ALA 23 Ca 0.04 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2zca h ALA 23 Cb 1.02 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2zca h ALA 23 CO 0.10 -0.28 0.60 -0.09 0.00 0.00 0.00 179.25 179.58 2zca h ARG 24 N -0.13 1.17 -0.75 0.00 2.43 0.11 0.13 114.38 117.35 2zca h ARG 24 Ca 0.02 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2zca h ARG 24 Cb 0.26 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 2zca h ARG 24 CO 0.00 0.77 0.49 0.00 -1.51 0.00 0.00 179.97 179.72 2zca h ALA 25 N 1.35 0.96 -0.16 2.80 0.00 -1.18 0.39 119.26 123.40 2zca h ALA 25 Ca 0.34 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 2zca h ALA 25 Cb -0.10 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 2zca h ALA 25 CO -0.09 0.33 -0.22 0.00 0.00 0.00 0.00 179.25 179.28 2zca h ALA 26 N 1.29 0.25 -0.42 0.00 0.00 -0.55 -1.76 119.26 118.07 2zca h ALA 26 Ca 0.28 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2zca h ALA 26 Cb -0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2zca h ALA 26 CO -0.08 0.19 0.16 0.74 0.00 0.00 0.00 179.25 180.27 2zca h PHE 27 N 0.07 0.64 -0.35 0.00 0.04 -0.50 -0.98 116.94 115.85 2zca h PHE 27 Ca 0.02 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 2zca h PHE 27 Cb 0.78 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.72 2zca h PHE 27 CO 0.09 0.56 0.15 -0.09 -0.60 0.00 0.00 178.31 178.42 2zca h ARG 28 N 0.53 0.51 0.00 1.51 9.65 -0.25 -2.56 114.38 123.77 2zca h ARG 28 Ca 0.14 -0.08 -0.06 0.00 -1.10 0.00 0.00 59.98 58.88 2zca h ARG 28 Cb 0.20 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 2zca h ARG 28 CO -0.01 0.49 -0.27 -0.09 2.80 0.00 0.00 179.97 182.88 2zca h ARG 29 N 0.42 0.00 0.00 0.20 9.65 -1.22 -2.69 114.38 120.74 2zca h ARG 29 Ca 0.12 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 2zca h ARG 29 Cb 0.16 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 2zca h ARG 29 CO -0.01 0.27 0.00 0.66 2.80 0.00 0.00 179.97 183.69 2zca h SER 30 N 0.00 0.00 0.54 -3.80 4.64 -0.74 -2.09 113.55 112.10 2zca h SER 30 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2zca h SER 30 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2zca h SER 30 CO 0.04 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.93 2zca h LEU 31 N 0.00 0.00 -0.00 5.97 3.38 -1.53 -1.65 115.31 121.48 2zca h LEU 31 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2zca h LEU 31 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2zca h LEU 31 CO 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 178.44 178.47 2zca n ALA 32 N -1.94 2.48 -2.41 1.53 0.00 -0.79 -4.87 120.51 114.52 2zca n ALA 32 Ca -0.00 -0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.10 2zca n ALA 32 Cb 0.19 -1.43 -0.10 0.00 0.00 0.00 0.00 19.45 18.10 2zca n ALA 32 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2zca s PHE 33 N -2.98 1.87 0.50 0.00 0.40 -0.62 -5.12 117.98 112.03 2zca s PHE 33 Ca 0.14 -0.74 -0.23 0.00 -0.60 0.00 0.00 56.93 55.50 2zca s PHE 33 Cb 0.19 -1.07 -0.06 0.00 0.51 0.00 0.00 43.02 42.59 2zca s PHE 33 CO 0.55 0.22 1.36 -2.14 0.70 0.00 0.00 175.22 175.91 2zca s PRO 34 N -3.75 3.40 0.22 0.24 0.02 -1.26 -4.87 135.00 128.99 2zca s PRO 34 Ca 0.29 2.26 -0.32 0.00 0.02 0.00 0.00 61.00 63.25 2zca s PRO 34 Cb 0.04 -2.42 -0.14 0.00 0.02 0.00 0.00 34.50 32.01 2zca s PRO 34 CO 0.11 -0.99 1.43 -2.30 -0.33 0.00 0.00 177.00 174.91 2zca n PRO 35 N -0.67 1.99 -1.00 5.54 -0.02 -1.26 -1.33 135.00 138.25 2zca n PRO 35 Ca 0.08 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2zca n PRO 35 Cb 0.44 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2zca n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2zca n GLY 36 N 2.40 0.62 0.48 -1.23 0.00 -1.26 -4.81 105.19 101.40 2zca n GLY 36 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 2zca n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zca n ALA 37 N 1.00 2.86 -4.01 4.61 0.00 -0.44 -4.91 120.51 119.63 2zca n ALA 37 Ca 0.00 -2.69 -0.31 0.00 0.00 0.00 0.00 53.44 50.44 2zca n ALA 37 Cb 0.01 -0.51 -0.15 0.00 0.00 0.00 0.00 19.45 18.80 2zca n ALA 37 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2zca s TYR 38 N -2.95 3.35 0.25 0.00 5.04 -1.26 -4.82 117.35 116.95 2zca s TYR 38 Ca 0.37 -2.61 -0.08 0.00 -2.44 0.00 0.00 57.07 52.31 2zca s TYR 38 Cb 0.32 -2.43 0.41 0.00 0.35 0.00 0.00 41.96 40.61 2zca s TYR 38 CO 0.03 -0.91 1.62 -1.35 -1.34 0.00 0.00 175.55 173.60 2zca h PRO 39 N 7.72 0.05 0.00 4.97 0.11 -1.99 -2.27 132.00 140.59 2zca h PRO 39 Ca -0.10 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 2zca h PRO 39 Cb 1.03 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2zca h PRO 39 CO 0.49 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.31 2zca h ARG 40 N 0.05 0.00 -2.18 1.05 2.47 -1.96 -3.38 114.38 110.44 2zca h ARG 40 Ca 0.41 0.00 -0.40 0.00 -1.26 0.00 0.00 59.98 58.73 2zca h ARG 40 Cb 0.70 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 28.92 2zca h ARG 40 CO -0.73 0.00 0.65 0.00 0.56 0.00 0.00 179.97 180.44 2zca n ALA 41 N -2.01 6.60 0.00 0.04 0.00 -0.86 -4.65 120.51 119.63 2zca n ALA 41 Ca -0.02 -2.64 0.00 0.00 0.00 0.00 0.00 53.44 50.78 2zca n ALA 41 Cb 0.12 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.13 2zca n ALA 41 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2zca n PRO 43 N 2.04 0.00 0.00 0.00 -0.02 -1.26 -3.03 135.00 132.73 2zca n PRO 43 Ca 0.51 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 62.10 2zca n PRO 43 Cb 0.65 0.00 0.08 0.00 -0.02 0.00 0.00 33.50 34.21 2zca n PRO 43 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2zca n TYR 44 N 0.00 0.00 -0.01 6.00 4.01 -1.26 -4.50 117.16 121.40 2zca n TYR 44 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 2zca n TYR 44 Cb 0.00 -0.12 -0.01 0.00 -0.31 0.00 0.00 39.34 38.91 2zca n TYR 44 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2zca n VAL 45 N -1.38 0.09 -0.34 -0.72 0.31 -1.17 -4.79 118.33 110.34 2zca n VAL 45 Ca 0.05 -0.04 0.04 0.00 -0.01 0.00 0.00 64.34 64.38 2zca n VAL 45 Cb 0.34 -0.60 0.21 0.00 -0.91 0.00 0.00 33.84 32.88 2zca n VAL 45 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2zca h GLU 46 N 0.00 1.07 -0.14 5.55 4.39 -1.85 -0.90 114.58 122.70 2zca h GLU 46 Ca -0.04 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.64 2zca h GLU 46 Cb 1.06 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 2zca h GLU 46 CO -0.00 0.71 0.11 -1.35 -1.16 0.00 0.00 179.01 177.31 2zca h PRO 47 N 1.10 0.00 0.00 2.33 0.11 -1.87 0.79 132.00 134.47 2zca h PRO 47 Ca 0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.53 2zca h PRO 47 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.33 2zca h PRO 47 CO -0.17 0.00 -0.03 0.35 -0.21 0.00 0.00 178.00 177.93 2zca h PHE 48 N 0.00 0.03 0.00 0.65 3.57 -1.51 -3.31 116.94 116.37 2zca h PHE 48 Ca 0.07 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2zca h PHE 48 Cb 0.28 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 2zca h PHE 48 CO 0.00 0.95 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.96 2zca h LEU 49 N -0.91 0.00 -2.16 0.59 3.38 -0.80 -1.36 115.31 114.04 2zca h LEU 49 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2zca h LEU 49 Cb 0.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2zca h LEU 49 CO 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 178.44 178.48 2zca h ALA 50 N 2.00 1.20 0.00 1.53 0.00 -0.94 -2.11 119.26 120.94 2zca h ALA 50 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2zca h ALA 50 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2zca h ALA 50 CO 0.00 0.07 0.00 1.63 0.00 0.00 0.00 179.25 180.95 2zca n LYS 51 N -3.45 0.43 -3.44 0.00 5.02 -0.51 -4.87 118.16 111.34 2zca n LYS 51 Ca -0.02 0.04 -0.12 0.00 -2.02 0.00 0.00 58.31 56.19 2zca n LYS 51 Cb 0.19 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.66 2zca n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2zca n GLY 52 N 0.77 3.03 3.21 0.72 0.00 -0.79 -5.13 105.19 106.99 2zca n GLY 52 Ca 0.13 -1.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 2zca n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2zca s ASP 53 N -2.56 4.70 0.18 1.61 1.01 -1.26 -4.99 116.67 115.36 2zca s ASP 53 Ca 0.25 -1.02 0.08 0.00 0.71 0.00 0.00 52.55 52.58 2zca s ASP 53 Cb 0.01 -1.72 -0.04 0.00 1.01 0.00 0.00 42.92 42.17 2zca s ASP 53 CO 0.18 -0.20 -0.17 0.26 0.21 0.00 0.00 175.17 175.45 2zca s TRP 54 N 1.33 1.78 0.35 4.23 0.52 -1.26 -5.14 118.94 120.74 2zca s TRP 54 Ca -0.02 -0.50 -0.01 0.00 0.02 0.00 0.00 56.10 55.59 2zca s TRP 54 Cb -0.18 -0.86 -0.04 0.00 -1.15 0.00 0.00 33.47 31.24 2zca s TRP 54 CO -0.02 0.35 0.57 1.03 0.02 0.00 0.00 176.95 178.90 2zca s ARG 55 N -3.12 3.51 0.21 4.98 0.52 -1.26 -4.92 118.95 118.86 2zca s ARG 55 Ca 0.18 -0.25 -0.10 0.00 -0.52 0.00 0.00 55.73 55.05 2zca s ARG 55 Cb -0.04 -2.64 0.30 0.00 0.52 0.00 0.00 34.95 33.09 2zca s ARG 55 CO 0.07 0.13 1.72 0.37 0.02 0.00 0.00 175.30 177.60 2zca h GLN 56 N 0.83 0.29 -0.49 3.54 5.75 -2.01 -0.52 115.11 122.50 2zca h GLN 56 Ca -0.49 -0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.04 2zca h GLN 56 Cb 1.21 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.67 2zca h GLN 56 CO 0.62 0.19 0.33 1.05 -2.65 0.00 0.00 178.83 178.37 2zca h GLU 57 N 0.30 0.46 -0.07 1.69 4.11 -1.99 -0.63 114.58 118.45 2zca h GLU 57 Ca 0.32 -0.03 -0.20 0.00 0.07 0.00 0.00 59.36 59.52 2zca h GLU 57 Cb 0.45 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2zca h GLU 57 CO -0.38 0.31 -0.79 0.93 0.07 0.00 0.00 179.01 179.14 2zca h GLU 58 N 0.48 0.48 -0.40 1.06 5.08 -1.52 -2.18 114.58 117.58 2zca h GLU 58 Ca 0.21 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 2zca h GLU 58 Cb 0.23 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2zca h GLU 58 CO -0.05 1.06 0.12 0.00 -1.00 0.00 0.00 179.01 179.14 2zca h ARG 59 N 0.31 0.63 -0.54 2.33 3.08 -0.30 -2.51 114.38 117.38 2zca h ARG 59 Ca -0.05 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 59.89 2zca h ARG 59 Cb 1.40 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.33 2zca h ARG 59 CO 0.14 0.63 0.36 0.93 -1.07 0.00 0.00 179.97 180.96 2zca h GLU 60 N 0.51 0.64 -0.63 0.04 5.08 -1.09 -1.17 114.58 117.95 2zca h GLU 60 Ca 0.13 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2zca h GLU 60 Cb 0.27 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2zca h GLU 60 CO -0.00 0.43 0.35 0.00 -1.00 0.00 0.00 179.01 178.78 2zca h ALA 61 N 1.68 0.81 -0.49 3.43 0.00 -0.97 -0.70 119.26 123.03 2zca h ALA 61 Ca 0.21 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2zca h ALA 61 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2zca h ALA 61 CO -0.05 0.33 0.20 0.45 0.00 0.00 0.00 179.25 180.18 2zca h HIS 62 N 0.86 0.73 -0.85 0.00 3.86 -0.93 -1.65 115.15 117.17 2zca h HIS 62 Ca 0.22 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 2zca h HIS 62 Cb 0.05 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.26 2zca h HIS 62 CO -0.01 0.61 0.42 1.88 0.86 0.00 0.00 177.93 181.69 2zca h TYR 63 N 0.64 1.21 -0.44 2.45 0.05 -0.96 -1.12 116.97 118.80 2zca h TYR 63 Ca 0.16 -0.05 -0.09 0.00 0.05 0.00 0.00 58.73 58.80 2zca h TYR 63 Cb 0.18 -0.38 -0.01 0.00 1.01 0.00 0.00 36.73 37.53 2zca h TYR 63 CO 0.00 0.86 -0.08 1.25 -1.05 0.00 0.00 178.16 179.14 2zca h LEU 64 N 1.20 0.84 -0.84 3.88 5.85 -0.92 -1.95 115.31 123.38 2zca h LEU 64 Ca 0.29 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 2zca h LEU 64 Cb 0.09 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2zca h LEU 64 CO -0.04 1.00 0.07 0.58 -0.34 0.00 0.00 178.44 179.70 2zca h VAL 65 N 0.67 1.25 -0.81 1.05 2.07 -1.07 -0.46 116.25 118.95 2zca h VAL 65 Ca 0.12 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 2zca h VAL 65 Cb 0.61 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 2zca h VAL 65 CO 0.04 0.36 0.36 0.00 0.02 0.00 0.00 177.57 178.36 2zca h ALA 66 N 1.19 1.05 -0.46 1.67 0.00 -1.07 0.11 119.26 121.75 2zca h ALA 66 Ca 0.18 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2zca h ALA 66 Cb 0.42 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2zca h ALA 66 CO 0.01 0.64 0.07 0.00 0.00 0.00 0.00 179.25 179.97 2zca h ALA 67 N 1.19 0.61 -0.07 0.00 0.00 -0.81 -1.48 119.26 118.69 2zca h ALA 67 Ca 0.27 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2zca h ALA 67 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2zca h ALA 67 CO -0.03 0.33 -0.49 -0.07 0.00 0.00 0.00 179.25 178.99 2zca h LEU 68 N 0.62 0.21 -0.48 0.00 3.38 -0.82 -1.40 115.31 116.83 2zca h LEU 68 Ca 0.14 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2zca h LEU 68 Cb 0.39 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2zca h LEU 68 CO 0.01 0.67 0.12 0.22 0.09 0.00 0.00 178.44 179.55 2zca h TYR 69 N 0.15 0.79 -0.60 1.13 5.03 -0.58 -2.37 116.97 120.53 2zca h TYR 69 Ca 0.01 -0.09 -0.08 0.00 2.58 0.00 0.00 58.73 61.14 2zca h TYR 69 Cb 0.93 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.96 2zca h TYR 69 CO 0.01 0.72 0.06 0.00 -1.32 0.00 0.00 178.16 177.63 2zca h ALA 70 N 0.98 0.81 -0.88 1.82 0.00 -1.02 0.39 119.26 121.37 2zca h ALA 70 Ca 0.15 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 54.88 2zca h ALA 70 Cb 0.32 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2zca h ALA 70 CO 0.00 0.60 0.57 1.25 0.00 0.00 0.00 179.25 181.66 2zca h LEU 71 N 0.93 0.77 -2.16 0.00 5.85 -1.00 0.19 115.31 119.89 2zca h LEU 71 Ca 0.18 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2zca h LEU 71 Cb 0.48 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2zca h LEU 71 CO 0.02 0.45 0.00 0.29 -0.34 0.00 0.00 178.44 178.86 2zca n LYS 72 N -4.53 2.71 -3.59 1.25 4.76 -0.92 -4.92 118.16 112.92 2zca n LYS 72 Ca 0.15 -1.91 -0.27 0.00 -2.87 0.00 0.00 58.31 53.42 2zca n LYS 72 Cb 0.31 -1.63 0.02 0.00 -1.84 0.00 0.00 35.03 31.89 2zca n LYS 72 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2zca n ASP 73 N 0.75 -4.67 -0.88 4.39 2.03 0.66 -1.62 116.55 117.20 2zca n ASP 73 Ca 0.17 -0.57 -0.12 0.00 0.52 0.00 0.00 54.79 54.79 2zca n ASP 73 Cb 0.60 -3.77 -0.05 0.00 -0.72 0.00 0.00 41.12 37.17 2zca n ASP 73 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2zca n GLY 74 N -1.49 1.25 3.57 0.27 0.00 0.13 -4.92 105.19 104.00 2zca n GLY 74 Ca 0.00 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 2zca n GLY 74 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2zca n ASP 75 N -0.06 4.48 -4.66 1.61 2.03 -0.64 -4.93 116.55 114.37 2zca n ASP 75 Ca -0.12 -2.87 -0.41 0.00 0.52 0.00 0.00 54.79 51.91 2zca n ASP 75 Cb 0.40 -1.74 -0.04 0.00 -0.72 0.00 0.00 41.12 39.02 2zca n ASP 75 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2zca s HIS 76 N 5.83 3.39 -0.41 -0.67 5.65 -1.26 -2.90 115.29 124.91 2zca s HIS 76 Ca 0.57 1.22 0.02 0.00 0.25 0.00 0.00 55.06 57.12 2zca s HIS 76 Cb 0.03 -3.02 0.11 0.00 -1.18 0.00 0.00 32.58 28.52 2zca s HIS 76 CO 0.09 -0.28 0.15 -0.65 -0.65 0.00 0.00 174.74 173.40 2zca s GLN 77 N 2.34 1.76 0.21 2.88 -1.52 -0.04 -4.88 119.66 120.41 2zca s GLN 77 Ca 0.37 -2.09 -0.32 0.00 -1.95 0.00 0.00 55.36 51.37 2zca s GLN 77 Cb -0.16 -3.33 -0.13 0.00 -0.22 0.00 0.00 33.01 29.16 2zca s GLN 77 CO 0.11 -1.02 1.52 1.55 -0.25 0.00 0.00 175.29 177.20 2zca n VAL 78 N 3.99 0.51 0.00 1.09 3.14 -1.26 -1.83 118.33 123.97 2zca n VAL 78 Ca 0.03 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 2zca n VAL 78 Cb 0.39 -1.58 0.00 0.00 -1.06 0.00 0.00 33.84 31.59 2zca n VAL 78 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2zca n GLY 79 N 2.78 2.96 3.45 7.55 0.00 -1.26 -4.95 105.19 115.72 2zca n GLY 79 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 2zca n GLY 79 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2zca s ARG 80 N -0.16 3.84 0.76 1.61 3.52 -0.76 -4.95 118.95 122.81 2zca s ARG 80 Ca 0.00 -2.20 -0.11 0.00 -0.13 0.00 0.00 55.73 53.30 2zca s ARG 80 Cb 0.00 -4.96 0.05 0.00 -1.56 0.00 0.00 34.95 28.48 2zca s ARG 80 CO 0.00 -1.74 1.08 0.95 -0.81 0.00 0.00 175.30 174.78 2zca s THR 81 N 1.99 3.47 0.28 4.11 -4.23 -1.26 -0.55 115.64 119.45 2zca s THR 81 Ca 0.37 0.48 -0.01 0.00 -1.18 0.00 0.00 61.69 61.34 2zca s THR 81 Cb -0.04 -3.02 0.28 0.00 1.34 0.00 0.00 72.50 71.05 2zca s THR 81 CO -0.05 -0.62 1.89 0.25 -0.54 0.00 0.00 174.62 175.54 2zca h LEU 82 N -1.05 0.98 -0.66 4.79 5.85 -1.95 0.27 115.31 123.54 2zca h LEU 82 Ca -0.44 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 2zca h LEU 82 Cb 1.23 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 2zca h LEU 82 CO 0.53 0.61 0.39 0.00 -0.34 0.00 0.00 178.44 179.63 2zca h ALA 83 N 1.48 0.84 -0.51 1.25 0.00 -1.91 0.12 119.26 120.53 2zca h ALA 83 Ca 0.43 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 2zca h ALA 83 Cb 0.22 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2zca h ALA 83 CO -0.18 0.33 -0.15 0.00 0.00 0.00 0.00 179.25 179.25 2zca h ARG 84 N 0.90 0.99 -0.36 0.00 3.08 -1.58 -1.94 114.38 115.47 2zca h ARG 84 Ca 0.24 -0.39 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 2zca h ARG 84 Cb -0.01 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 2zca h ARG 84 CO -0.04 1.07 0.02 0.00 -1.07 0.00 0.00 179.97 179.95 2zca h ALA 85 N 0.89 1.37 -0.32 0.04 0.00 -0.49 -2.05 119.26 118.70 2zca h ALA 85 Ca 0.12 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 2zca h ALA 85 Cb 0.72 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2zca h ALA 85 CO 0.06 0.44 -0.43 -0.07 0.00 0.00 0.00 179.25 179.25 2zca h LEU 86 N 0.54 0.87 -0.59 0.00 3.38 -0.54 -2.09 115.31 116.87 2zca h LEU 86 Ca 0.12 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 2zca h LEU 86 Cb 0.31 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2zca h LEU 86 CO 0.01 1.18 0.36 -0.25 0.09 0.00 0.00 178.44 179.83 2zca h TRP 87 N 0.66 0.78 -0.84 1.13 7.01 -0.87 0.92 115.95 124.73 2zca h TRP 87 Ca 0.05 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 2zca h TRP 87 Cb 1.00 -0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 27.76 2zca h TRP 87 CO 0.06 0.53 0.44 0.93 -2.79 0.00 0.00 178.44 177.60 2zca h GLU 88 N 0.80 1.19 -0.20 2.65 5.08 -1.27 -1.99 114.58 120.85 2zca h GLU 88 Ca 0.21 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 2zca h GLU 88 Cb -0.03 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 2zca h GLU 88 CO -0.04 0.89 -0.35 -0.22 -1.00 0.00 0.00 179.01 178.29 2zca h LYS 89 N 1.19 0.43 0.00 2.33 1.63 -0.81 -3.03 116.57 118.31 2zca h LYS 89 Ca 0.29 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.89 2zca h LYS 89 Cb 0.07 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.69 2zca h LYS 89 CO -0.04 0.73 -0.05 0.00 -3.45 0.00 0.00 179.45 176.63 2zca h ALA 90 N 1.26 1.03 0.00 5.00 0.00 -0.07 -2.82 119.26 123.66 2zca h ALA 90 Ca 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2zca h ALA 90 Cb 0.79 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2zca h ALA 90 CO 0.06 0.06 -0.16 1.96 0.00 0.00 0.00 179.25 181.18 2zca h GLN 91 N 0.00 0.00 -0.01 0.00 1.08 -1.36 -1.76 115.11 113.06 2zca h GLN 91 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2zca h GLN 91 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 2zca h GLN 91 CO 0.01 0.16 -0.63 0.41 -0.95 0.00 0.00 178.83 177.82 2zca n GLY 92 N -1.03 -0.50 2.93 3.46 0.00 -1.07 -4.81 105.19 104.17 2zca n GLY 92 Ca -0.02 -0.58 -0.08 0.00 0.00 0.00 0.00 46.02 45.34 2zca n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2zca s SER 93 N -2.70 0.17 0.43 1.61 0.01 -0.67 -5.03 113.70 107.52 2zca s SER 93 Ca 0.15 -0.13 0.13 0.00 1.31 0.00 0.00 55.95 57.40 2zca s SER 93 Cb 0.17 1.20 0.99 0.00 0.21 0.00 0.00 66.02 68.60 2zca s SER 93 CO 0.68 -0.33 1.98 0.00 0.41 0.00 0.00 173.24 175.98 2zca h ALA 94 N 8.15 1.97 0.00 1.44 0.00 -1.86 -1.65 119.26 127.31 2zca h ALA 94 Ca -0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2zca h ALA 94 Cb 1.13 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2zca h ALA 94 CO 0.26 -0.09 -0.01 0.66 0.00 0.00 0.00 179.25 180.06 2zca h SER 95 N 0.45 0.00 -0.02 0.00 4.64 -1.96 -2.17 113.55 114.49 2zca h SER 95 Ca 0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 2zca h SER 95 Cb 0.48 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2zca h SER 95 CO -0.08 0.01 -0.01 0.58 -0.87 0.00 0.00 176.83 176.47 2zca h VAL 96 N 0.00 1.05 -0.52 0.95 2.07 -1.62 -2.20 116.25 115.98 2zca h VAL 96 Ca -0.00 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 2zca h VAL 96 Cb 0.11 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2zca h VAL 96 CO 0.00 0.06 0.09 -0.08 0.02 0.00 0.00 177.57 177.66 2zca h GLU 97 N 0.09 0.82 -0.19 1.57 4.81 -1.57 -0.95 114.58 119.15 2zca h GLU 97 Ca 0.02 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 58.99 2zca h GLU 97 Cb 0.08 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2zca h GLU 97 CO 0.00 0.76 -0.23 0.87 -0.73 0.00 0.00 179.01 179.69 2zca h LYS 98 N 0.78 0.33 -0.34 1.92 1.57 -1.57 -0.49 116.57 118.78 2zca h LYS 98 Ca 0.17 -0.11 -0.16 0.00 -1.87 0.00 0.00 60.65 58.68 2zca h LYS 98 Cb 0.34 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2zca h LYS 98 CO 0.01 0.55 -0.42 0.00 -0.57 0.00 0.00 179.45 179.01 2zca h ARG 99 N 0.30 0.85 -0.17 3.15 3.08 -1.30 -1.88 114.38 118.41 2zca h ARG 99 Ca 0.05 -0.46 -0.00 0.00 0.07 0.00 0.00 59.98 59.63 2zca h ARG 99 Cb 0.57 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 2zca h ARG 99 CO 0.04 1.10 0.09 0.35 -1.07 0.00 0.00 179.97 180.48 2zca h PHE 100 N 0.68 0.23 -0.73 3.04 3.57 -0.64 -0.83 116.94 122.27 2zca h PHE 100 Ca 0.05 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2zca h PHE 100 Cb 1.00 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 2zca h PHE 100 CO 0.06 0.23 0.35 -0.07 -2.23 0.00 0.00 178.31 176.65 2zca h LEU 101 N 0.16 0.94 -1.32 0.59 3.38 -1.04 -1.59 115.31 116.43 2zca h LEU 101 Ca 0.06 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2zca h LEU 101 Cb 0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2zca h LEU 101 CO -0.01 0.79 -0.31 0.00 0.09 0.00 0.00 178.44 179.01 2zca h ALA 102 N 1.35 1.44 -0.15 1.53 0.00 -1.06 -1.61 119.26 120.75 2zca h ALA 102 Ca 0.25 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2zca h ALA 102 Cb 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2zca h ALA 102 CO -0.03 0.42 -0.03 1.25 0.00 0.00 0.00 179.25 180.85 2zca h LEU 103 N 0.05 0.29 -1.94 0.00 5.85 -0.25 -1.53 115.31 117.78 2zca h LEU 103 Ca 0.01 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 2zca h LEU 103 Cb 0.57 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 2zca h LEU 103 CO 0.04 0.59 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.59 2zca h LEU 104 N -0.01 0.00 -0.62 2.25 3.38 -0.91 -2.12 115.31 117.29 2zca h LEU 104 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2zca h LEU 104 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2zca h LEU 104 CO 0.01 0.07 -0.17 -0.62 0.09 0.00 0.00 178.44 177.82 2zca n GLU 105 N -4.30 1.08 -1.99 1.13 1.02 -0.64 -4.95 120.64 111.98 2zca n GLU 105 Ca -0.03 -0.62 -0.41 0.00 -0.02 0.00 0.00 57.16 56.08 2zca n GLU 105 Cb 0.15 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.06 2zca n GLU 105 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2zca s ALA 106 N -2.35 3.62 0.15 0.62 0.00 -0.61 -5.04 121.76 118.16 2zca s ALA 106 Ca 0.29 1.35 0.02 0.00 0.00 0.00 0.00 51.96 53.62 2zca s ALA 106 Cb 0.20 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.78 2zca s ALA 106 CO 0.46 -0.77 0.19 -0.40 0.00 0.00 0.00 175.76 175.25 2zca n ASP 107 N 2.05 0.49 -0.22 0.00 5.68 -1.26 -4.70 116.55 118.59 2zca n ASP 107 Ca 0.06 -1.36 0.21 0.00 -0.50 0.00 0.00 54.79 53.20 2zca n ASP 107 Cb 0.40 -0.10 0.57 0.00 -1.14 0.00 0.00 41.12 40.85 2zca n ASP 107 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2zca h ARG 108 N 0.00 0.29 -0.00 0.11 3.08 -2.00 -0.73 114.38 115.13 2zca h ARG 108 Ca -0.06 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2zca h ARG 108 Cb 0.29 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2zca h ARG 108 CO 0.09 0.19 -0.23 -0.25 -1.07 0.00 0.00 179.97 178.70 2zca n ASP 109 N -4.45 0.39 -0.02 7.04 8.00 -1.26 -4.23 116.55 122.01 2zca n ASP 109 Ca 0.19 -0.17 -0.01 0.00 0.71 0.00 0.00 54.79 55.51 2zca n ASP 109 Cb 0.76 -0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.76 2zca n ASP 109 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2zca n GLN 110 N -1.29 2.18 -0.23 -1.24 6.02 -0.42 -4.81 117.38 117.59 2zca n GLN 110 Ca 0.09 -0.02 0.03 0.00 -0.01 0.00 0.00 57.00 57.09 2zca n GLN 110 Cb 0.32 -1.12 0.15 0.00 1.02 0.00 0.00 30.24 30.61 2zca n GLN 110 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 2zca h ILE 111 N 0.00 0.66 -0.13 5.09 6.09 -1.37 -0.92 117.51 126.93 2zca h ILE 111 Ca -0.08 -0.13 -0.00 0.00 -1.37 0.00 0.00 64.86 63.27 2zca h ILE 111 Cb 0.93 0.25 -0.01 0.00 0.47 0.00 0.00 36.82 38.46 2zca h ILE 111 CO 0.00 0.07 0.08 0.00 -3.07 0.00 0.00 178.15 175.23 2zca h ALA 112 N 1.51 0.17 -0.07 0.18 0.00 -1.86 -0.10 119.26 119.09 2zca h ALA 112 Ca 0.37 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 2zca h ALA 112 Cb 0.55 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2zca h ALA 112 CO -0.39 -0.31 0.03 0.35 0.00 0.00 0.00 179.25 178.93 2zca h PHE 113 N 0.13 0.10 -0.02 0.00 3.57 -1.80 -2.02 116.94 116.90 2zca h PHE 113 Ca 0.05 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 2zca h PHE 113 Cb 0.05 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 2zca h PHE 113 CO -0.05 0.19 -0.35 0.00 -2.23 0.00 0.00 178.31 175.87 2zca h ARG 114 N -0.01 0.03 -0.15 1.11 3.08 -1.10 -1.54 114.38 115.79 2zca h ARG 114 Ca 0.02 -0.01 -0.22 0.00 0.07 0.00 0.00 59.98 59.84 2zca h ARG 114 Cb 0.12 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.18 2zca h ARG 114 CO -0.00 0.38 -0.78 1.25 -1.07 0.00 0.00 179.97 179.75 2zca h LEU 115 N 0.03 0.93 -0.48 3.04 5.85 -0.91 -0.87 115.31 122.89 2zca h LEU 115 Ca 0.00 -0.61 -0.03 0.00 0.84 0.00 0.00 57.88 58.09 2zca h LEU 115 Cb 0.64 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2zca h LEU 115 CO 0.05 1.41 0.20 -0.09 -0.34 0.00 0.00 178.44 179.66 2zca h ARG 116 N 0.53 0.72 -0.79 1.25 1.12 -1.14 -1.40 114.38 114.68 2zca h ARG 116 Ca -0.05 -0.13 -0.03 0.00 -1.11 0.00 0.00 59.98 58.66 2zca h ARG 116 Cb 1.40 -0.12 -0.04 0.00 -0.01 0.00 0.00 29.97 31.21 2zca h ARG 116 CO 0.16 0.64 0.37 0.37 -3.11 0.00 0.00 179.97 178.40 2zca h GLN 117 N 0.64 1.14 -0.44 0.20 4.15 -1.22 -1.32 115.11 118.26 2zca h GLN 117 Ca 0.16 -0.18 -0.09 0.00 0.77 0.00 0.00 58.65 59.31 2zca h GLN 117 Cb 0.19 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 2zca h GLN 117 CO -0.01 0.89 -0.08 0.00 -1.93 0.00 0.00 178.83 177.70 2zca h ALA 118 N 1.19 0.61 -0.52 3.38 0.00 -0.87 -1.18 119.26 121.86 2zca h ALA 118 Ca 0.27 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2zca h ALA 118 Cb 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2zca h ALA 118 CO -0.03 0.48 -0.10 0.28 0.00 0.00 0.00 179.25 179.87 2zca h VAL 119 N 0.67 1.27 0.00 0.00 2.07 -1.14 -2.44 116.25 116.68 2zca h VAL 119 Ca 0.12 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 2zca h VAL 119 Cb 0.61 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2zca h VAL 119 CO 0.04 0.44 -0.18 0.00 0.02 0.00 0.00 177.57 177.88 2zca h ALA 120 N 1.01 1.11 0.15 1.67 0.00 -1.09 -3.13 119.26 118.99 2zca h ALA 120 Ca 0.14 -0.16 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 2zca h ALA 120 Cb 0.65 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.43 2zca h ALA 120 CO 0.04 0.23 -1.30 1.25 0.00 0.00 0.00 179.25 179.47 2zca h LEU 121 N 0.00 0.75-10.28 0.00 5.85 -0.79 -3.47 115.31 107.38 2zca h LEU 121 Ca -0.00 -0.74 -0.50 0.00 0.84 0.00 0.00 57.88 57.48 2zca h LEU 121 Cb 0.58 -0.24 0.09 0.00 0.37 0.00 0.00 40.66 41.46 2zca h LEU 121 CO 0.02 1.56 0.37 0.68 -0.34 0.00 0.00 178.44 180.73 2zca s VAL 122 N -2.82 3.89 -0.06 1.05 -7.23 -0.96 -5.04 120.40 109.22 2zca s VAL 122 Ca -0.08 0.72 -0.08 0.00 -1.81 0.00 0.00 61.98 60.73 2zca s VAL 122 Cb 0.06 -3.36 -0.04 0.00 0.56 0.00 0.00 36.38 33.60 2zca s VAL 122 CO 0.92 -0.70 0.21 -1.61 -0.31 0.00 0.00 175.10 173.62 2zca s GLU 123 N -4.66 3.54 0.79 4.82 0.41 -1.26 -5.00 118.70 117.35 2zca s GLU 123 Ca 0.60 -0.05 0.00 0.00 -0.41 0.00 0.00 54.97 55.11 2zca s GLU 123 Cb -0.15 -3.16 0.00 0.00 -1.78 0.00 0.00 34.13 29.04 2zca s GLU 123 CO 0.48 0.73 0.00 0.41 -0.49 0.00 0.00 175.26 176.39 2zca n GLY 124 N 1.66 -2.00 3.89 -1.39 0.00 -1.26 -4.96 105.19 101.14 2zca n GLY 124 Ca -0.16 -1.39 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 2zca n GLY 124 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2zca s GLY 125 N -2.31 1.60 0.24 -0.02 0.00 -1.26 -5.07 107.32 100.51 2zca s GLY 125 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.38 2zca s GLY 125 CO 0.00 -0.09 0.13 -0.26 0.00 0.00 0.00 173.10 172.88 2zca s ILE 126 N -3.07 0.27 -0.69 0.90 -4.36 -1.14 -4.63 121.20 108.48 2zca s ILE 126 Ca 0.53 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.67 2zca s ILE 126 Cb -0.11 -2.56 0.04 0.00 1.25 0.00 0.00 42.46 41.09 2zca s ILE 126 CO 0.50 0.00 1.15 -0.62 0.24 0.00 0.00 174.94 176.21 2zca s ASP 127 N -3.26 6.19 0.44 4.36 -1.08 0.28 -0.86 116.67 122.75 2zca s ASP 127 Ca 0.38 -0.60 0.27 0.00 -0.52 0.00 0.00 52.55 52.08 2zca s ASP 127 Cb 0.07 -2.50 0.74 0.00 -1.46 0.00 0.00 42.92 39.76 2zca s ASP 127 CO 0.14 -1.65 1.75 -0.26 0.52 0.00 0.00 175.17 175.67 2zca h PHE 128 N 9.81 0.00 -0.02 -5.34 0.04 -1.90 -1.91 116.94 117.62 2zca h PHE 128 Ca -0.28 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.48 2zca h PHE 128 Cb 1.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.21 2zca h PHE 128 CO 1.06 0.00 -0.04 0.00 -0.60 0.00 0.00 178.31 178.73 2zca h ALA 129 N 2.07 0.03 -0.16 2.45 0.00 -1.90 -2.46 119.26 119.28 2zca h ALA 129 Ca 0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 2zca h ALA 129 Cb 0.79 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2zca h ALA 129 CO 0.00 -0.15 -0.29 -0.09 0.00 0.00 0.00 179.25 178.73 2zca h ARG 130 N -0.52 0.30 -0.49 0.00 9.65 -1.88 -2.13 114.38 119.32 2zca h ARG 130 Ca -0.00 -0.11 0.01 0.00 -1.10 0.00 0.00 59.98 58.77 2zca h ARG 130 Cb 0.64 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.17 2zca h ARG 130 CO 0.01 0.57 0.32 1.25 2.80 0.00 0.00 179.97 184.92 2zca h LEU 131 N 0.27 0.55 -0.21 3.80 5.85 -1.29 -0.04 115.31 124.24 2zca h LEU 131 Ca 0.04 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 2zca h LEU 131 Cb 0.65 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 2zca h LEU 131 CO 0.05 0.40 -0.15 0.25 -0.34 0.00 0.00 178.44 178.64 2zca h LEU 132 N 0.65 0.50 -1.27 2.25 5.85 -1.21 -0.51 115.31 121.57 2zca h LEU 132 Ca 0.18 -0.44 0.07 0.00 0.84 0.00 0.00 57.88 58.53 2zca h LEU 132 Cb -0.07 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 2zca h LEU 132 CO -0.04 0.84 0.53 0.44 -0.34 0.00 0.00 178.44 179.87 2zca h ASP 133 N 0.17 0.76 -0.10 1.25 3.32 -1.20 -0.26 116.42 120.37 2zca h ASP 133 Ca 0.04 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 2zca h ASP 133 Cb 0.67 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2zca h ASP 133 CO 0.04 0.48 -0.39 0.44 -1.72 0.00 0.00 179.24 178.09 2zca h ASP 134 N 0.86 0.52 -0.59 6.45 3.32 -0.84 -3.15 116.42 122.99 2zca h ASP 134 Ca 0.36 -0.62 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 2zca h ASP 134 Cb 0.29 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 2zca h ASP 134 CO -0.13 1.05 0.29 0.25 -1.72 0.00 0.00 179.24 178.98 2zca h LEU 135 N 0.01 0.79 -2.01 1.55 5.85 -0.60 -1.15 115.31 119.75 2zca h LEU 135 Ca -0.02 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 2zca h LEU 135 Cb 1.02 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 2zca h LEU 135 CO 0.08 0.68 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.71 2zca h LEU 136 N 0.87 0.00 -2.99 2.25 3.38 -1.08 -2.37 115.31 115.37 2zca h LEU 136 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2zca h LEU 136 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2zca h LEU 136 CO -0.03 0.08 0.00 0.54 0.09 0.00 0.00 178.44 179.13 2zca n ARG 137 N -4.06 2.97 0.14 1.13 1.74 -0.66 -4.68 116.66 113.25 2zca n ARG 137 Ca -0.03 -2.35 0.08 0.00 -0.77 0.00 0.00 57.85 54.78 2zca n ARG 137 Cb 0.17 -1.48 0.58 0.00 -1.02 0.00 0.00 32.46 30.70 2zca n ARG 137 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 2zca h TRP 138 N 2.30 0.17 -0.43 -1.55 2.91 -0.69 -2.80 115.95 115.85 2zca h TRP 138 Ca 0.00 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.02 2zca h TRP 138 Cb 0.98 -0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 29.58 2zca h TRP 138 CO 0.36 0.10 0.00 1.19 -1.03 0.00 0.00 178.44 179.07 2zca n PHE 139 N -4.50 1.58 -2.06 2.65 3.72 -1.26 -4.85 117.46 112.72 2zca n PHE 139 Ca 0.01 -0.55 -0.41 0.00 -0.05 0.00 0.00 57.45 56.44 2zca n PHE 139 Cb 0.14 -0.42 -0.02 0.00 -0.94 0.00 0.00 39.48 38.24 2zca n PHE 139 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2zca s SER 140 N -0.58 6.71 0.42 4.37 0.15 -1.06 -4.88 113.70 118.83 2zca s SER 140 Ca 0.41 2.62 0.16 0.00 0.70 0.00 0.00 55.95 59.84 2zca s SER 140 Cb 0.31 -2.63 1.05 0.00 -1.71 0.00 0.00 66.02 63.05 2zca s SER 140 CO 0.12 -0.64 1.89 -0.65 1.20 0.00 0.00 173.24 175.15 2zca h PRO 141 N 4.82 0.41 0.00 5.44 0.11 -1.92 -0.19 132.00 140.67 2zca h PRO 141 Ca -0.46 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 2zca h PRO 141 Cb 1.22 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2zca h PRO 141 CO 0.76 0.27 -0.20 0.93 -0.21 0.00 0.00 178.00 179.55 2zca h GLU 142 N 0.43 0.00 -6.01 1.05 5.08 -1.98 -3.47 114.58 109.68 2zca h GLU 142 Ca 0.42 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 58.36 2zca h GLU 142 Cb 0.98 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.30 2zca h GLU 142 CO -0.15 0.20 -0.74 0.54 -1.00 0.00 0.00 179.01 177.86 2zca n ARG 143 N -3.56 -6.55 0.06 2.33 1.74 -0.09 -4.89 116.66 105.70 2zca n ARG 143 Ca -0.01 0.72 -0.04 0.00 -0.77 0.00 0.00 57.85 57.75 2zca n ARG 143 Cb 0.35 -5.65 0.17 0.00 -1.02 0.00 0.00 32.46 26.30 2zca n ARG 143 CO 0.00 0.00 0.00 1.12 -1.52 0.00 0.00 177.63 177.23 2zca h HIS 144 N -2.28 0.43 -0.35 -1.55 2.07 -1.89 -2.52 115.15 109.06 2zca h HIS 144 Ca -0.58 -0.12 -0.03 0.00 -2.85 0.00 0.00 60.37 56.78 2zca h HIS 144 Cb 1.37 -0.09 -0.01 0.00 2.57 0.00 0.00 27.41 31.24 2zca h HIS 144 CO 0.51 0.74 0.10 0.28 -3.07 0.00 0.00 177.93 176.49 2zca h VAL 145 N 0.30 1.21 -0.84 6.12 2.07 -1.90 -1.56 116.25 121.65 2zca h VAL 145 Ca 0.02 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.85 2zca h VAL 145 Cb 0.88 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 2zca h VAL 145 CO 0.07 0.24 0.55 1.56 0.02 0.00 0.00 177.57 180.02 2zca h GLN 146 N 0.42 1.07 -0.52 1.57 7.50 -1.89 -0.03 115.11 123.23 2zca h GLN 146 Ca 0.11 -0.06 -0.07 0.00 0.50 0.00 0.00 58.65 59.13 2zca h GLN 146 Cb 0.27 -0.24 -0.02 0.00 0.05 0.00 0.00 27.48 27.54 2zca h GLN 146 CO -0.00 0.71 0.03 0.00 -1.50 0.00 0.00 178.83 178.07 2zca h ALA 147 N 1.32 1.08 -0.19 3.87 0.00 -1.25 -1.91 119.26 122.19 2zca h ALA 147 Ca 0.32 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2zca h ALA 147 Cb -0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2zca h ALA 147 CO -0.08 0.59 -0.42 -0.09 0.00 0.00 0.00 179.25 179.24 2zca h ARG 148 N 0.80 0.44 -0.64 0.00 2.43 -0.50 -1.58 114.38 115.34 2zca h ARG 148 Ca 0.16 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 2zca h ARG 148 Cb 0.43 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 2zca h ARG 148 CO 0.02 0.79 0.19 -1.49 -1.51 0.00 0.00 179.97 177.96 2zca h TRP 149 N 0.36 1.04 -0.92 2.20 4.06 -0.69 0.08 115.95 122.09 2zca h TRP 149 Ca 0.03 -0.11 -0.01 0.00 2.06 0.00 0.00 58.89 60.86 2zca h TRP 149 Cb 0.90 -0.30 -0.04 0.00 -1.00 0.00 0.00 29.16 28.71 2zca h TRP 149 CO 0.03 0.86 0.55 0.00 -3.56 0.00 0.00 178.44 176.31 2zca h ALA 150 N 1.07 1.24 -0.56 1.49 0.00 -1.02 0.50 119.26 121.98 2zca h ALA 150 Ca 0.20 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2zca h ALA 150 Cb 0.31 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2zca h ALA 150 CO -0.00 0.65 0.23 -0.09 0.00 0.00 0.00 179.25 180.03 2zca h ARG 151 N 1.27 0.83 -0.51 0.00 2.43 -0.58 -0.98 114.38 116.84 2zca h ARG 151 Ca 0.33 -0.15 -0.11 0.00 -0.81 0.00 0.00 59.98 59.25 2zca h ARG 151 Cb -0.05 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 2zca h ARG 151 CO -0.06 0.71 -0.09 0.93 -1.51 0.00 0.00 179.97 179.95 2zca h GLU 152 N 0.76 0.97 0.56 0.20 5.08 -0.37 0.27 114.58 122.04 2zca h GLU 152 Ca 0.19 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2zca h GLU 152 Cb 0.19 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.38 2zca h GLU 152 CO -0.02 1.02 -0.27 -0.92 -1.00 0.00 0.00 179.01 177.83 2zca h TYR 153 N 0.83 -0.70 0.00 4.33 5.03 -0.74 -2.11 116.97 123.61 2zca h TYR 153 Ca 0.13 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.43 2zca h TYR 153 Cb 0.65 0.23 0.00 0.00 1.55 0.00 0.00 36.73 39.16 2zca h TYR 153 CO 0.05 -0.37 0.00 1.88 -1.32 0.00 0.00 178.16 178.40 2zca h TYR 154 N -1.06 0.00 0.00 -3.82 0.05 -1.26 -2.64 116.97 108.25 2zca h TYR 154 Ca -0.08 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.57 2zca h TYR 154 Cb 0.64 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.36 2zca h TYR 154 CO 0.01 0.00 -0.64 0.78 -1.05 0.00 0.00 178.16 177.26 2zca h GLY 155 N 2.37 0.00 1.00 3.88 0.00 -0.88 -3.51 103.07 105.94 2zca h GLY 155 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2zca h GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54