#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dza s PRO 39 N 0.00 2.35 0.25 0.00 0.04 -1.26 -4.93 135.00 131.45 3dza s PRO 39 Ca 0.00 1.40 -0.31 0.00 0.04 0.00 0.00 61.00 62.13 3dza s PRO 39 Cb 0.00 -1.89 -0.13 0.00 0.04 0.00 0.00 34.50 32.52 3dza s PRO 39 CO 0.00 -1.60 1.52 0.00 0.04 0.00 0.00 177.00 176.96 3dza n ALA 40 N -2.98 1.79 -1.68 8.56 0.00 -1.26 -4.98 120.51 119.96 3dza n ALA 40 Ca 0.11 0.40 -0.33 0.00 0.00 0.00 0.00 53.44 53.62 3dza n ALA 40 Cb 0.52 -2.37 0.01 0.00 0.00 0.00 0.00 19.45 17.60 3dza n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dza s ALA 41 N 0.16 2.76 0.32 0.00 0.00 -1.26 -5.00 121.76 118.75 3dza s ALA 41 Ca 0.68 0.41 -0.29 0.00 0.00 0.00 0.00 51.96 52.76 3dza s ALA 41 Cb -0.59 -3.23 -0.11 0.00 0.00 0.00 0.00 23.12 19.19 3dza s ALA 41 CO 0.47 -0.75 1.53 0.00 0.00 0.00 0.00 175.76 177.01 3dza s ALA 42 N -2.42 3.67 -0.39 0.00 0.00 -1.26 -4.90 121.76 116.47 3dza s ALA 42 Ca 0.64 1.54 0.10 0.00 0.00 0.00 0.00 51.96 54.25 3dza s ALA 42 Cb -0.16 -3.62 0.40 0.00 0.00 0.00 0.00 23.12 19.74 3dza s ALA 42 CO 0.35 -0.98 1.30 0.00 0.00 0.00 0.00 175.76 176.43 3dza n ALA 43 N 1.52 1.52 -0.23 0.00 0.00 -1.26 -5.04 120.51 117.02 3dza n ALA 43 Ca 0.05 -1.56 -0.06 0.00 0.00 0.00 0.00 53.44 51.87 3dza n ALA 43 Cb 0.38 -0.99 0.05 0.00 0.00 0.00 0.00 19.45 18.89 3dza n ALA 43 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3dza h THR 44 N 2.16 1.18 -0.27 0.00 2.02 -1.99 0.43 112.91 116.44 3dza h THR 44 Ca -0.25 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 3dza h THR 44 Cb 1.28 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3dza h THR 44 CO 0.02 0.18 0.13 0.74 0.37 0.00 0.00 175.52 176.96 3dza h THR 45 N 0.89 1.14 -0.32 3.16 2.02 -1.99 0.18 112.91 118.00 3dza h THR 45 Ca 0.24 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 3dza h THR 45 Cb -0.07 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3dza h THR 45 CO -0.05 0.15 0.06 -0.61 0.37 0.00 0.00 175.52 175.44 3dza h GLN 46 N 0.31 0.53 -0.11 6.66 -0.00 -1.86 -1.54 115.11 119.09 3dza h GLN 46 Ca 0.09 -0.14 -0.00 0.00 -0.00 0.00 0.00 58.65 58.61 3dza h GLN 46 Cb 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.52 3dza h GLN 46 CO -0.01 0.61 0.06 0.28 0.00 0.00 0.00 178.83 179.76 3dza h VAL 47 N 0.37 1.10 -0.80 2.39 2.07 -0.78 -1.54 116.25 119.07 3dza h VAL 47 Ca 0.10 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 3dza h VAL 47 Cb 0.32 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3dza h VAL 47 CO 0.00 0.09 0.33 1.56 0.02 0.00 0.00 177.57 179.58 3dza h GLN 48 N 0.07 1.19 -0.05 1.57 4.20 -0.95 -1.72 115.11 119.43 3dza h GLN 48 Ca 0.04 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 3dza h GLN 48 Cb 0.10 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 3dza h GLN 48 CO -0.01 0.95 0.00 -0.22 -0.67 0.00 0.00 178.83 178.89 3dza h LYS 49 N 1.16 0.08 -0.46 1.46 3.64 -1.04 0.21 116.57 121.61 3dza h LYS 49 Ca 0.27 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 3dza h LYS 49 Cb 0.20 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 3dza h LYS 49 CO -0.02 0.33 0.29 1.49 -2.27 0.00 0.00 179.45 179.27 3dza h GLU 50 N -0.19 0.57 -0.08 1.90 4.81 -1.26 0.23 114.58 120.55 3dza h GLU 50 Ca 0.01 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3dza h GLU 50 Cb 0.30 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 3dza h GLU 50 CO 0.00 0.38 0.00 0.00 -0.73 0.00 0.00 179.01 178.66 3dza h ALA 51 N 1.19 0.11 -0.53 2.92 0.00 -1.22 -2.94 119.26 118.79 3dza h ALA 51 Ca 0.18 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3dza h ALA 51 Cb -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3dza h ALA 51 CO -0.06 -0.21 0.03 0.00 0.00 0.00 0.00 179.25 179.00 3dza h ALA 52 N 0.74 1.06 -0.40 0.00 0.00 -0.46 -2.25 119.26 117.95 3dza h ALA 52 Ca 0.02 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.73 3dza h ALA 52 Cb 0.34 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3dza h ALA 52 CO 0.00 0.59 0.10 -0.44 0.00 0.00 0.00 179.25 179.51 3dza h ASP 53 N 0.82 0.06 0.94 0.00 3.32 -0.94 -1.44 116.42 119.18 3dza h ASP 53 Ca 0.16 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3dza h ASP 53 Cb 0.45 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3dza h ASP 53 CO 0.02 0.07 0.00 1.33 -1.72 0.00 0.00 179.24 178.94 3dza n VAL 54 N -5.06 0.76 1.15 -1.35 0.24 -1.07 -2.50 118.33 110.50 3dza n VAL 54 Ca 0.03 0.09 0.13 0.00 -2.04 0.00 0.00 64.34 62.54 3dza n VAL 54 Cb 0.17 -1.02 0.31 0.00 -1.47 0.00 0.00 33.84 31.83 3dza n VAL 54 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3dza n LEU 55 N -2.28 2.29 -3.43 1.34 4.77 -0.67 -4.96 117.00 114.05 3dza n LEU 55 Ca 0.03 -0.82 -0.23 0.00 -0.03 0.00 0.00 56.01 54.96 3dza n LEU 55 Cb 0.28 -0.04 0.08 0.00 -2.33 0.00 0.00 43.42 41.41 3dza n LEU 55 CO 0.23 0.41 0.24 0.00 -1.33 0.00 0.00 177.39 176.93 3dza n GLN 56 N 0.77 -7.57 -4.93 3.23 3.00 -0.63 -5.01 117.38 106.24 3dza n GLN 56 Ca 0.17 0.79 -0.32 0.00 -0.01 0.00 0.00 57.00 57.63 3dza n GLN 56 Cb 0.47 -5.71 -0.17 0.00 0.00 0.00 0.00 30.24 24.83 3dza n GLN 56 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3dza s VAL 57 N -3.30 2.03 -1.04 5.09 1.01 -0.69 -4.80 120.40 118.70 3dza s VAL 57 Ca 0.56 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 3dza s VAL 57 Cb -0.25 -1.77 0.12 0.00 0.00 0.00 0.00 36.38 34.49 3dza s VAL 57 CO 0.69 0.55 1.29 0.00 0.00 0.00 0.00 175.10 177.63 3dza s ALA 58 N 0.59 3.42 0.57 5.51 0.00 0.12 -4.12 121.76 127.86 3dza s ALA 58 Ca -0.13 -2.85 0.30 0.00 0.00 0.00 0.00 51.96 49.28 3dza s ALA 58 Cb -0.17 -4.18 1.81 0.00 0.00 0.00 0.00 23.12 20.58 3dza s ALA 58 CO 0.03 -3.05 2.24 -0.24 0.00 0.00 0.00 175.76 174.75 3dza h VAL 59 N 5.67 0.50 -0.77 0.00 3.04 -1.87 0.65 116.25 123.48 3dza h VAL 59 Ca 0.22 -0.07 0.07 0.00 -1.01 0.00 0.00 66.70 65.91 3dza h VAL 59 Cb 0.97 1.04 -0.05 0.00 -2.01 0.00 0.00 31.29 31.25 3dza h VAL 59 CO 1.21 0.01 0.51 -0.61 -1.01 0.00 0.00 177.57 177.68 3dza h GLN 60 N 0.00 0.78 -0.25 4.17 4.15 -1.88 0.13 115.11 122.21 3dza h GLN 60 Ca -0.00 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.32 3dza h GLN 60 Cb 0.04 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 3dza h GLN 60 CO 0.00 0.52 -0.03 0.78 -1.93 0.00 0.00 178.83 178.17 3dza h GLY 61 N 0.81 0.50 0.66 2.39 0.00 -1.15 -1.03 103.07 105.25 3dza h GLY 61 Ca 0.34 -0.39 0.07 0.00 0.00 0.00 0.00 47.33 47.34 3dza h GLY 61 CO -0.12 0.36 0.50 0.00 0.00 0.00 0.00 176.54 177.29 3dza h ALA 62 N 0.79 1.16 -0.47 3.60 0.00 -1.24 -2.37 119.26 120.73 3dza h ALA 62 Ca 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3dza h ALA 62 Cb 0.47 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3dza h ALA 62 CO 0.02 0.21 0.26 -0.91 0.00 0.00 0.00 179.25 178.83 3dza h ASN 63 N 0.90 0.58 0.00 0.00 2.35 -0.60 -0.37 115.58 118.43 3dza h ASN 63 Ca 0.38 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3dza h ASN 63 Cb 0.23 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3dza h ASN 63 CO -0.20 0.49 0.00 0.00 -1.65 0.00 0.00 177.43 176.08 3dza n ALA 64 N -2.27 1.03 0.00 -0.83 0.00 -0.41 -0.98 120.51 117.06 3dza n ALA 64 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3dza n ALA 64 Cb 0.07 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3dza n ALA 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3dza n ARG 66 N 0.60 0.00 -0.12 0.00 0.63 -0.15 -1.71 116.66 115.91 3dza n ARG 66 Ca 0.00 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 3dza n ARG 66 Cb 0.00 0.00 0.03 0.00 0.45 0.00 0.00 32.46 32.94 3dza n ARG 66 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3dza h ASP 67 N 0.00 -0.18 -0.24 6.15 3.32 -1.32 0.46 116.42 124.62 3dza h ASP 67 Ca 0.00 0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.16 3dza h ASP 67 Cb 0.00 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3dza h ASP 67 CO 0.00 -0.05 0.12 0.40 -1.72 0.00 0.00 179.24 177.99 3dza h ILE 68 N 0.10 0.99 -0.18 0.35 2.04 -1.60 0.98 117.51 120.20 3dza h ILE 68 Ca 0.19 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 66.02 3dza h ILE 68 Cb 0.27 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 3dza h ILE 68 CO -0.33 0.05 -0.19 -0.61 0.00 0.00 0.00 178.15 177.07 3dza h GLN 69 N 0.25 -0.20 -0.19 2.37 4.15 -1.75 -1.70 115.11 118.03 3dza h GLN 69 Ca 0.10 0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.45 3dza h GLN 69 Cb 0.02 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 3dza h GLN 69 CO -0.07 -0.14 -0.26 0.74 -1.93 0.00 0.00 178.83 177.18 3dza h PHE 70 N -0.21 0.38 -0.40 3.99 -1.00 -0.70 -2.26 116.94 116.74 3dza h PHE 70 Ca 0.12 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.82 3dza h PHE 70 Cb 0.38 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.83 3dza h PHE 70 CO -0.32 0.58 0.26 0.00 -1.61 0.00 0.00 178.31 177.22 3dza h ALA 71 N 1.43 0.50 -0.63 2.45 0.00 -0.23 0.14 119.26 122.92 3dza h ALA 71 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3dza h ALA 71 Cb 0.62 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3dza h ALA 71 CO 0.04 -0.04 0.31 0.00 0.00 0.00 0.00 179.25 179.57 3dza h ARG 72 N 0.54 0.90 -0.29 0.00 3.08 -1.08 -0.97 114.38 116.56 3dza h ARG 72 Ca 0.14 -0.13 0.03 0.00 0.07 0.00 0.00 59.98 60.10 3dza h ARG 72 Cb -0.06 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 3dza h ARG 72 CO -0.03 0.72 0.08 1.25 -1.07 0.00 0.00 179.97 180.92 3dza h LEU 73 N 0.87 0.07 -0.72 3.04 5.85 -1.01 -2.86 115.31 120.54 3dza h LEU 73 Ca 0.22 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3dza h LEU 73 Cb 0.11 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3dza h LEU 73 CO -0.03 0.07 0.45 0.00 -0.34 0.00 0.00 178.44 178.60 3dza h ALA 74 N 1.19 0.92 -0.58 1.25 0.00 -0.25 -2.35 119.26 119.44 3dza h ALA 74 Ca 0.13 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3dza h ALA 74 Cb 0.11 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 17.55 3dza h ALA 74 CO -0.15 0.37 0.23 -0.07 0.00 0.00 0.00 179.25 179.63 3dza h LEU 75 N 0.98 0.25 -0.11 0.00 3.38 -0.98 -1.00 115.31 117.84 3dza h LEU 75 Ca 0.26 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3dza h LEU 75 Cb -0.06 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3dza h LEU 75 CO -0.05 0.16 -0.01 0.49 0.09 0.00 0.00 178.44 179.12 3dza n PHE 76 N -4.97 0.00 -0.45 1.13 3.72 -0.95 -1.73 117.46 114.21 3dza n PHE 76 Ca 0.08 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.58 3dza n PHE 76 Cb 0.24 -0.04 0.33 0.00 -0.94 0.00 0.00 39.48 39.06 3dza n PHE 76 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3dza n HIS 77 N -0.91 1.12 -2.89 1.38 8.25 -0.51 -4.96 115.22 116.69 3dza n HIS 77 Ca 0.22 -0.53 -0.15 0.00 -0.26 0.00 0.00 57.72 57.00 3dza n HIS 77 Cb 0.16 -0.08 0.03 0.00 1.12 0.00 0.00 29.99 31.23 3dza n HIS 77 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dza n GLY 78 N 1.45 -0.07 2.59 -1.41 0.00 -0.71 -4.97 105.19 102.08 3dza n GLY 78 Ca 0.25 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 3dza n GLY 78 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dza n GLN 79 N -3.03 2.75 0.08 1.61 6.02 -0.50 -4.93 117.38 119.38 3dza n GLN 79 Ca -0.05 -4.72 0.03 0.00 -0.01 0.00 0.00 57.00 52.26 3dza n GLN 79 Cb 0.57 -2.24 0.43 0.00 1.02 0.00 0.00 30.24 30.02 3dza n GLN 79 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3dza h PRO 80 N 3.75 0.36 -0.13 -1.09 0.13 -1.87 -1.87 132.00 131.27 3dza h PRO 80 Ca 0.17 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 3dza h PRO 80 Cb 0.61 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 3dza h PRO 80 CO 0.83 0.34 0.06 0.38 -0.23 0.00 0.00 178.00 179.37 3dza h ASP 81 N 0.35 0.18 -0.57 1.44 2.03 -1.96 0.02 116.42 117.93 3dza h ASP 81 Ca 0.09 -0.16 0.02 0.00 -0.73 0.00 0.00 57.03 56.25 3dza h ASP 81 Cb 0.15 -0.05 -0.03 0.00 -0.83 0.00 0.00 39.33 38.57 3dza h ASP 81 CO -0.00 0.29 0.36 0.28 -1.03 0.00 0.00 179.24 179.13 3dza h SER 82 N 0.07 0.60 -0.74 4.15 0.02 -1.86 -1.41 113.55 114.39 3dza h SER 82 Ca 0.04 -0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.06 3dza h SER 82 Cb 0.16 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.50 3dza h SER 82 CO -0.00 0.43 0.42 0.00 -1.14 0.00 0.00 176.83 176.53 3dza h ALA 83 N 1.23 1.01 -0.23 3.77 0.00 -1.06 -0.39 119.26 123.58 3dza h ALA 83 Ca 0.22 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3dza h ALA 83 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3dza h ALA 83 CO -0.07 0.09 0.11 -0.22 0.00 0.00 0.00 179.25 179.16 3dza h LYS 84 N 0.75 0.34 -0.86 0.00 3.64 -0.63 -0.83 116.57 118.97 3dza h LYS 84 Ca 0.34 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 3dza h LYS 84 Cb 0.23 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 3dza h LYS 84 CO -0.20 0.34 0.50 0.87 -2.27 0.00 0.00 179.45 178.69 3dza h LYS 85 N 0.25 1.18 -0.26 1.90 1.57 -0.81 0.61 116.57 121.00 3dza h LYS 85 Ca 0.08 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 3dza h LYS 85 Cb 0.12 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3dza h LYS 85 CO -0.01 0.85 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.52 3dza h LEU 86 N 1.19 0.57 -0.73 2.94 3.38 -0.91 -1.16 115.31 120.59 3dza h LEU 86 Ca 0.31 -0.41 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 3dza h LEU 86 Cb -0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3dza h LEU 86 CO -0.05 0.85 -0.21 0.71 0.09 0.00 0.00 178.44 179.83 3dza h THR 87 N 0.28 1.27 -0.64 0.22 1.35 -1.00 -0.58 112.91 113.81 3dza h THR 87 Ca 0.06 -1.31 -0.04 0.00 -0.55 0.00 0.00 66.41 64.57 3dza h THR 87 Cb 0.64 1.20 -0.03 0.00 -1.73 0.00 0.00 68.15 68.23 3dza h THR 87 CO 0.04 0.44 0.23 0.44 -0.25 0.00 0.00 175.52 176.42 3dza h ASP 88 N 0.66 0.88 -0.47 5.36 3.32 -0.82 -1.32 116.42 124.03 3dza h ASP 88 Ca 0.09 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 3dza h ASP 88 Cb 0.71 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 3dza h ASP 88 CO 0.05 0.81 0.06 -0.78 -1.72 0.00 0.00 179.24 177.66 3dza h ASP 89 N 0.94 0.75 -0.47 6.45 3.58 -0.79 -0.84 116.42 126.04 3dza h ASP 89 Ca 0.22 -0.27 0.06 0.00 0.42 0.00 0.00 57.03 57.45 3dza h ASP 89 Cb 0.22 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 41.02 3dza h ASP 89 CO -0.01 0.83 0.19 0.00 -2.88 0.00 0.00 179.24 177.37 3dza h ALA 90 N 0.95 0.58 -0.60 -0.78 0.00 -0.80 -1.41 119.26 117.19 3dza h ALA 90 Ca 0.14 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3dza h ALA 90 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3dza h ALA 90 CO 0.01 -0.19 0.35 0.00 0.00 0.00 0.00 179.25 179.42 3dza h ALA 91 N 1.29 0.78 -0.65 0.00 0.00 -0.91 -0.81 119.26 118.97 3dza h ALA 91 Ca 0.22 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3dza h ALA 91 Cb 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3dza h ALA 91 CO -0.20 0.05 0.26 0.00 0.00 0.00 0.00 179.25 179.36 3dza h ALA 92 N 1.28 0.85 -0.36 0.00 0.00 -0.71 -0.92 119.26 119.39 3dza h ALA 92 Ca 0.25 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3dza h ALA 92 Cb 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3dza h ALA 92 CO -0.13 0.46 -0.01 -0.07 0.00 0.00 0.00 179.25 179.50 3dza h LEU 93 N 0.92 0.64 -1.26 0.00 3.38 -0.98 -2.77 115.31 115.23 3dza h LEU 93 Ca 0.22 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3dza h LEU 93 Cb 0.21 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3dza h LEU 93 CO -0.02 0.80 -0.28 -0.07 0.09 0.00 0.00 178.44 178.96 3dza h LEU 94 N 0.46 0.00 0.00 1.67 3.38 -1.05 -2.83 115.31 116.94 3dza h LEU 94 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3dza h LEU 94 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3dza h LEU 94 CO 0.02 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.83 3dza n ALA 95 N -2.30 1.83 -1.56 1.53 0.00 -0.36 -4.82 120.51 114.83 3dza n ALA 95 Ca -0.01 -0.07 -0.45 0.00 0.00 0.00 0.00 53.44 52.92 3dza n ALA 95 Cb 0.41 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 3dza n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dza n ALA 96 N -1.41 -0.56 -1.35 0.00 0.00 -1.07 -4.86 120.51 111.26 3dza n ALA 96 Ca 0.06 0.38 -0.33 0.00 0.00 0.00 0.00 53.44 53.55 3dza n ALA 96 Cb 0.17 -1.97 0.08 0.00 0.00 0.00 0.00 19.45 17.73 3dza n ALA 96 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3dza s ASP 97 N -0.63 4.60 0.27 0.00 1.47 -1.26 -4.84 116.67 116.28 3dza s ASP 97 Ca 0.60 2.04 -0.00 0.00 1.18 0.00 0.00 52.55 56.36 3dza s ASP 97 Cb -0.72 -2.55 0.49 0.00 -0.34 0.00 0.00 42.92 39.81 3dza s ASP 97 CO 0.59 -1.98 1.85 0.44 0.68 0.00 0.00 175.17 176.76 3dza h ASP 98 N -0.47 0.96 -0.98 2.11 5.19 -1.94 -0.79 116.42 120.50 3dza h ASP 98 Ca -0.46 0.03 0.17 0.00 -0.62 0.00 0.00 57.03 56.16 3dza h ASP 98 Cb 1.25 -0.16 -0.10 0.00 0.18 0.00 0.00 39.33 40.50 3dza h ASP 98 CO 0.51 0.55 0.58 0.00 -3.12 0.00 0.00 179.24 177.77 3dza h ALA 99 N 1.51 1.58 -0.08 3.45 0.00 -2.01 -1.79 119.26 121.92 3dza h ALA 99 Ca 0.47 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.33 3dza h ALA 99 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3dza h ALA 99 CO -0.23 -0.02 -0.52 0.66 0.00 0.00 0.00 179.25 179.14 3dza h SER 100 N 0.77 0.25 1.29 0.00 4.64 -1.49 -2.97 113.55 116.05 3dza h SER 100 Ca 0.55 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.69 3dza h SER 100 Cb 0.80 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 3dza h SER 100 CO -0.37 0.73 -0.24 -0.50 -0.87 0.00 0.00 176.83 175.58 3dza h TRP 101 N 0.18 0.00 -1.00 4.77 4.06 -1.21 -3.38 115.95 119.37 3dza h TRP 101 Ca 0.00 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.03 3dza h TRP 101 Cb 0.98 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 29.07 3dza h TRP 101 CO 0.02 0.24 0.64 0.00 -3.56 0.00 0.00 178.44 175.78 3dza h ALA 102 N 1.76 1.41 0.00 1.49 0.00 -1.22 0.58 119.26 123.28 3dza h ALA 102 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dza h ALA 102 Cb 0.95 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3dza h ALA 102 CO 0.03 0.40 0.00 0.36 0.00 0.00 0.00 179.25 180.04 3dza n LYS 103 N -4.53 0.11 0.00 0.00 2.85 -1.26 -2.16 118.16 113.16 3dza n LYS 103 Ca 0.16 0.37 0.10 0.00 -1.05 0.00 0.00 58.31 57.88 3dza n LYS 103 Cb 0.21 -1.71 0.07 0.00 -0.65 0.00 0.00 35.03 32.95 3dza n LYS 103 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3dza n PHE 104 N -1.91 0.00 -2.25 5.58 3.72 0.18 -4.97 117.46 117.81 3dza n PHE 104 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 3dza n PHE 104 Cb 0.19 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.70 3dza n PHE 104 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3dza s VAL 105 N -1.69 3.52 -0.86 -4.37 1.01 -0.92 -1.06 120.40 116.03 3dza s VAL 105 Ca 0.22 1.10 -0.22 0.00 0.00 0.00 0.00 61.98 63.07 3dza s VAL 105 Cb 0.16 -3.70 0.08 0.00 0.00 0.00 0.00 36.38 32.92 3dza s VAL 105 CO 0.27 0.09 1.19 -0.75 0.00 0.00 0.00 175.10 175.91 3dza s LYS 106 N 1.03 3.41 0.31 2.72 2.20 0.10 -4.86 119.74 124.66 3dza s LYS 106 Ca 0.62 -1.13 0.14 0.00 -0.36 0.00 0.00 55.97 55.25 3dza s LYS 106 Cb -0.35 -4.75 0.48 0.00 -1.51 0.00 0.00 37.83 31.71 3dza s LYS 106 CO 0.30 -1.96 1.66 1.79 -0.36 0.00 0.00 175.35 176.78 3dza h THR 107 N 6.16 1.21 -0.52 3.43 1.35 -1.93 -2.47 112.91 120.14 3dza h THR 107 Ca -0.01 -1.88 -0.11 0.00 -0.55 0.00 0.00 66.41 63.86 3dza h THR 107 Cb 1.04 2.06 -0.07 0.00 -1.73 0.00 0.00 68.15 69.45 3dza h THR 107 CO 1.24 0.51 0.14 -0.90 -0.25 0.00 0.00 175.52 176.26 3dza n ASP 108 N -3.69 4.26 -4.68 5.36 5.75 -1.26 -4.97 116.55 117.33 3dza n ASP 108 Ca -0.01 -2.84 -0.44 0.00 -0.01 0.00 0.00 54.79 51.49 3dza n ASP 108 Cb 0.57 -0.67 -0.04 0.00 -1.03 0.00 0.00 41.12 39.95 3dza n ASP 108 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dza n ALA 109 N 0.13 1.52 -0.03 2.12 0.00 -0.93 -4.90 120.51 118.41 3dza n ALA 109 Ca 0.28 0.29 0.01 0.00 0.00 0.00 0.00 53.44 54.01 3dza n ALA 109 Cb 1.08 -2.57 -0.14 0.00 0.00 0.00 0.00 19.45 17.82 3dza n ALA 109 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3dza n LYS 110 N 6.31 0.66 -3.61 0.00 2.85 -1.26 -4.76 118.16 118.35 3dza n LYS 110 Ca 0.20 -0.03 -0.40 0.00 -1.05 0.00 0.00 58.31 57.03 3dza n LYS 110 Cb 0.35 -1.59 -0.10 0.00 -0.65 0.00 0.00 35.03 33.04 3dza n LYS 110 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3dza s ALA 111 N -3.03 3.31 0.00 0.58 0.00 -1.26 -5.21 121.76 116.15 3dza s ALA 111 Ca -0.07 -2.34 0.00 0.00 0.00 0.00 0.00 51.96 49.54 3dza s ALA 111 Cb 0.10 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.54 3dza s ALA 111 CO 0.86 -1.76 0.00 1.63 0.00 0.00 0.00 175.76 176.48 3dza n LYS 112 N 4.87 2.84 -0.87 0.00 5.02 -1.26 -5.00 118.16 123.76 3dza n LYS 112 Ca -0.08 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.86 3dza n LYS 112 Cb 0.42 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.52 3dza n LYS 112 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3dza n ILE 114 N -0.04 0.00 -2.33 -0.18 -5.35 -1.26 -5.12 119.36 105.08 3dza n ILE 114 Ca 0.00 -0.30 -0.43 0.00 -0.27 0.00 0.00 62.75 61.75 3dza n ILE 114 Cb 0.00 -0.37 -0.02 0.00 -1.74 0.00 0.00 39.64 37.51 3dza n ILE 114 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dza s ALA 115 N -2.22 3.10 0.24 -1.28 0.00 -1.26 -4.90 121.76 115.44 3dza s ALA 115 Ca 0.50 -0.06 -0.22 0.00 0.00 0.00 0.00 51.96 52.18 3dza s ALA 115 Cb -0.18 -3.91 0.03 0.00 0.00 0.00 0.00 23.12 19.07 3dza s ALA 115 CO 0.73 -2.28 0.77 0.34 0.00 0.00 0.00 175.76 175.31 3dza s ASP 116 N 3.87 -0.27 -0.42 0.00 -1.08 -1.26 -4.99 116.67 112.52 3dza s ASP 116 Ca 0.62 -0.51 -0.25 0.00 -0.52 0.00 0.00 52.55 51.89 3dza s ASP 116 Cb -0.15 0.66 0.02 0.00 -1.46 0.00 0.00 42.92 41.99 3dza s ASP 116 CO 0.31 -1.21 0.90 -0.13 0.52 0.00 0.00 175.17 175.56 3dza s ARG 117 N -3.75 3.65 -0.25 4.34 1.81 -1.26 -4.97 118.95 118.52 3dza s ARG 117 Ca 0.10 0.29 -0.17 0.00 -1.72 0.00 0.00 55.73 54.24 3dza s ARG 117 Cb -0.05 -3.87 -0.03 0.00 -0.45 0.00 0.00 34.95 30.55 3dza s ARG 117 CO 0.04 -1.09 0.47 0.71 -0.68 0.00 0.00 175.30 174.76 3dza s TYR 118 N 3.57 3.28 -0.13 -0.53 1.51 -1.26 -0.80 117.35 122.98 3dza s TYR 118 Ca 0.36 0.60 -0.11 0.00 -1.01 0.00 0.00 57.07 56.91 3dza s TYR 118 Cb -0.11 -2.66 -0.05 0.00 -0.11 0.00 0.00 41.96 39.03 3dza s TYR 118 CO 0.23 -0.22 0.24 0.08 -1.11 0.00 0.00 175.55 174.76 3dza s VAL 119 N 2.08 5.34 -0.62 0.71 1.01 -1.26 -0.72 120.40 126.93 3dza s VAL 119 Ca 0.20 0.43 -0.27 0.00 0.00 0.00 0.00 61.98 62.34 3dza s VAL 119 Cb -0.16 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.69 3dza s VAL 119 CO 0.09 0.49 1.45 -0.63 0.00 0.00 0.00 175.10 176.50 3dza s ILE 120 N -0.19 3.69 -0.58 2.22 1.01 -0.22 -4.15 121.20 122.99 3dza s ILE 120 Ca 0.15 0.51 0.21 0.00 0.00 0.00 0.00 60.65 61.52 3dza s ILE 120 Cb -0.13 -4.50 -0.27 0.00 0.01 0.00 0.00 42.46 37.57 3dza s ILE 120 CO 0.04 -1.33 0.71 2.30 0.00 0.00 0.00 174.94 176.66 3dza n ILE 121 N 6.78 0.00 -3.47 2.92 -5.35 -0.51 -0.70 119.36 119.03 3dza n ILE 121 Ca 0.11 -0.22 -0.14 0.00 -0.27 0.00 0.00 62.75 62.23 3dza n ILE 121 Cb 0.50 0.57 -0.04 0.00 -1.74 0.00 0.00 39.64 38.93 3dza n ILE 121 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3dza s ASN 122 N -3.62 -0.60 0.03 7.28 3.84 -1.21 -3.41 114.94 117.25 3dza s ASN 122 Ca 0.01 0.30 -0.28 0.00 0.21 0.00 0.00 52.86 53.10 3dza s ASN 122 Cb 0.15 0.57 0.07 0.00 -0.55 0.00 0.00 41.25 41.49 3dza s ASN 122 CO 0.87 -0.82 0.65 0.00 -2.79 0.00 0.00 177.10 175.02 3dza s ALA 123 N -2.67 -1.71 0.14 1.71 0.00 -1.26 -1.14 121.76 116.83 3dza s ALA 123 Ca -0.04 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.81 3dza s ALA 123 Cb -0.01 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.46 3dza s ALA 123 CO -0.03 -0.52 0.32 -1.54 0.00 0.00 0.00 175.76 173.99 3dza s SER 124 N -1.77 -0.05 -0.05 0.00 1.04 -0.50 -4.99 113.70 107.39 3dza s SER 124 Ca -0.06 -0.63 -0.25 0.00 0.48 0.00 0.00 55.95 55.49 3dza s SER 124 Cb -0.00 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 3dza s SER 124 CO 0.01 -0.87 0.75 -0.63 0.98 0.00 0.00 173.24 173.49 3dza s ILE 125 N -3.89 5.01 -0.20 -1.02 -1.09 -1.26 -0.24 121.20 118.51 3dza s ILE 125 Ca 0.09 1.56 -0.08 0.00 -2.23 0.00 0.00 60.65 59.99 3dza s ILE 125 Cb 0.03 -4.09 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 3dza s ILE 125 CO -0.06 0.24 0.08 0.00 -1.23 0.00 0.00 174.94 173.97 3dza s ALA 126 N 0.82 3.41 -0.02 9.38 0.00 -0.00 -4.87 121.76 130.48 3dza s ALA 126 Ca 0.40 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.54 3dza s ALA 126 Cb -0.18 -2.02 0.01 0.00 0.00 0.00 0.00 23.12 20.93 3dza s ALA 126 CO 0.20 0.00 -0.02 -1.17 0.00 0.00 0.00 175.76 174.77 3dza s LEU 127 N 0.70 1.53 -0.04 0.00 0.20 -1.26 -1.22 118.68 118.58 3dza s LEU 127 Ca 0.04 -0.05 -0.00 0.00 0.69 0.00 0.00 54.13 54.80 3dza s LEU 127 Cb -0.13 -0.24 0.03 0.00 -0.43 0.00 0.00 46.19 45.42 3dza s LEU 127 CO 0.02 -0.04 0.01 -0.55 -0.29 0.00 0.00 176.35 175.50 3dza s SER 128 N 0.56 0.83 0.31 3.68 0.15 -0.43 -5.01 113.70 113.79 3dza s SER 128 Ca -0.06 -0.03 -0.08 0.00 0.70 0.00 0.00 55.95 56.48 3dza s SER 128 Cb -0.09 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 3dza s SER 128 CO -0.01 -0.14 0.50 -1.83 1.20 0.00 0.00 173.24 172.96 3dza s GLU 129 N 1.41 1.79 0.00 5.44 -1.05 -1.26 -0.42 118.70 124.61 3dza s GLU 129 Ca -0.04 -1.52 0.24 0.00 -0.15 0.00 0.00 54.97 53.50 3dza s GLU 129 Cb -0.13 0.47 0.29 0.00 -0.44 0.00 0.00 34.13 34.32 3dza s GLU 129 CO -0.03 -0.75 1.26 -0.40 0.95 0.00 0.00 175.26 176.30 3dza n ASP 130 N -0.97 0.88 -0.24 0.83 5.68 -1.26 -4.95 116.55 116.52 3dza n ASP 130 Ca -0.01 -0.69 -0.03 0.00 -0.50 0.00 0.00 54.79 53.56 3dza n ASP 130 Cb 0.62 0.46 -0.01 0.00 -1.14 0.00 0.00 41.12 41.05 3dza n ASP 130 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 3dza n TYR 131 N -1.22 0.00 -3.55 2.11 4.01 -1.26 -4.98 117.16 112.28 3dza n TYR 131 Ca 0.07 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.42 3dza n TYR 131 Cb 0.35 -1.32 -0.10 0.00 -0.31 0.00 0.00 39.34 37.96 3dza n TYR 131 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3dza s VAL 132 N -1.75 5.28 0.24 -0.72 1.01 -1.26 -5.07 120.40 118.13 3dza s VAL 132 Ca 0.00 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 3dza s VAL 132 Cb 0.00 -3.57 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 3dza s VAL 132 CO 0.00 0.24 1.18 0.00 0.00 0.00 0.00 175.10 176.51 3dza s ALA 133 N 1.75 3.43 0.06 5.51 0.00 -1.26 -4.99 121.76 126.26 3dza s ALA 133 Ca 0.09 0.97 -0.00 0.00 0.00 0.00 0.00 51.96 53.02 3dza s ALA 133 Cb -0.16 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3dza s ALA 133 CO 0.10 -0.33 -0.04 0.95 0.00 0.00 0.00 175.76 176.44 3dza s THR 134 N -0.58 0.32 0.27 0.00 -4.23 -1.26 -5.03 115.64 105.12 3dza s THR 134 Ca 0.49 -1.71 -0.02 0.00 -1.18 0.00 0.00 61.69 59.28 3dza s THR 134 Cb -0.33 -1.38 0.27 0.00 1.34 0.00 0.00 72.50 72.40 3dza s THR 134 CO 0.40 -0.89 1.87 -0.65 -0.54 0.00 0.00 174.62 174.81 3dza h PRO 135 N 3.33 1.08 -0.68 3.99 0.11 -1.99 -0.73 132.00 137.11 3dza h PRO 135 Ca -0.34 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 3dza h PRO 135 Cb 1.16 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 3dza h PRO 135 CO 0.62 0.71 0.40 0.93 -0.21 0.00 0.00 178.00 180.45 3dza h GLU 136 N 1.11 0.93 -0.48 1.05 3.07 -1.99 -1.39 114.58 116.89 3dza h GLU 136 Ca 0.44 -0.09 -0.12 0.00 -0.50 0.00 0.00 59.36 59.09 3dza h GLU 136 Cb 0.24 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 3dza h GLU 136 CO -0.20 0.67 -0.15 -0.22 -1.40 0.00 0.00 179.01 177.72 3dza h LYS 137 N 0.93 0.94 -0.15 2.33 3.64 -1.76 -1.31 116.57 121.19 3dza h LYS 137 Ca 0.24 -0.38 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3dza h LYS 137 Cb -0.01 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3dza h LYS 137 CO -0.04 1.04 0.08 0.93 -2.27 0.00 0.00 179.45 179.19 3dza h GLU 138 N 0.79 0.16 -0.71 1.90 5.08 -0.92 0.20 114.58 121.09 3dza h GLU 138 Ca 0.12 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3dza h GLU 138 Cb 0.72 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 3dza h GLU 138 CO 0.05 0.11 0.37 0.77 -1.00 0.00 0.00 179.01 179.31 3dza h SER 139 N 0.17 0.90 -0.57 1.42 0.02 -1.21 -2.28 113.55 112.00 3dza h SER 139 Ca 0.06 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 3dza h SER 139 Cb 0.00 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 3dza h SER 139 CO -0.04 0.76 0.13 0.00 -1.14 0.00 0.00 176.83 176.55 3dza h ALA 140 N 1.18 0.75 -0.62 3.77 0.00 -0.81 -1.12 119.26 122.42 3dza h ALA 140 Ca 0.25 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3dza h ALA 140 Cb 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3dza h ALA 140 CO -0.04 0.46 0.25 0.82 0.00 0.00 0.00 179.25 180.75 3dza h ILE 141 N 0.82 1.23 -0.26 0.00 2.04 -0.45 0.13 117.51 121.02 3dza h ILE 141 Ca 0.18 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 3dza h ILE 141 Cb 0.35 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3dza h ILE 141 CO 0.00 0.28 0.07 -0.61 0.00 0.00 0.00 178.15 177.89 3dza h GLN 142 N 0.86 0.41 -0.33 2.37 4.15 -1.15 -0.46 115.11 120.96 3dza h GLN 142 Ca 0.21 -0.09 0.04 0.00 0.77 0.00 0.00 58.65 59.57 3dza h GLN 142 Cb 0.20 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.80 3dza h GLN 142 CO -0.02 0.49 0.11 1.03 -1.93 0.00 0.00 178.83 178.52 3dza h SER 143 N 0.24 0.12 -0.54 -0.69 0.87 -1.01 -1.44 113.55 111.10 3dza h SER 143 Ca 0.08 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.71 3dza h SER 143 Cb 0.27 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.21 3dza h SER 143 CO -0.00 0.11 0.31 0.00 -0.53 0.00 0.00 176.83 176.72 3dza h ALA 144 N 1.21 0.69 -0.61 6.23 0.00 -0.52 -1.17 119.26 125.10 3dza h ALA 144 Ca 0.15 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.12 3dza h ALA 144 Cb 0.12 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3dza h ALA 144 CO -0.15 0.01 0.30 -0.91 0.00 0.00 0.00 179.25 178.50 3dza h ASN 145 N 0.62 0.42 -0.40 0.00 2.35 -0.72 0.65 115.58 118.49 3dza h ASN 145 Ca 0.22 0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.93 3dza h ASN 145 Cb 0.05 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3dza h ASN 145 CO -0.11 0.27 -0.02 -0.33 -1.65 0.00 0.00 177.43 175.59 3dza h GLU 146 N 0.56 0.81 -0.29 0.81 5.08 -0.78 -1.35 114.58 119.42 3dza h GLU 146 Ca 0.28 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3dza h GLU 146 Cb 0.23 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3dza h GLU 146 CO -0.21 0.83 -0.02 0.87 -1.00 0.00 0.00 179.01 179.49 3dza h LYS 147 N 0.75 0.53 -0.43 2.33 1.57 -0.64 -2.99 116.57 117.69 3dza h LYS 147 Ca 0.14 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3dza h LYS 147 Cb 0.49 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 3dza h LYS 147 CO 0.02 0.69 0.09 -0.07 -0.57 0.00 0.00 179.45 179.61 3dza h LEU 148 N 0.31 0.59 -1.68 2.94 3.38 -0.71 -0.23 115.31 119.90 3dza h LEU 148 Ca 0.08 -0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.06 3dza h LEU 148 Cb 0.46 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3dza h LEU 148 CO 0.02 0.60 0.39 0.00 0.09 0.00 0.00 178.44 179.54 3dza h ALA 149 N 1.48 2.07 -0.66 1.53 0.00 -1.11 -1.55 119.26 121.02 3dza h ALA 149 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3dza h ALA 149 Cb 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3dza h ALA 149 CO -0.00 -0.21 0.00 0.36 0.00 0.00 0.00 179.25 179.40 3dza n LYS 150 N -4.46 3.23 -1.08 0.00 2.85 -0.58 -4.95 118.16 113.17 3dza n LYS 150 Ca 0.10 -2.74 -0.03 0.00 -1.05 0.00 0.00 58.31 54.59 3dza n LYS 150 Cb 0.40 -1.71 -0.01 0.00 -0.65 0.00 0.00 35.03 33.05 3dza n LYS 150 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3dza n GLY 151 N 1.29 0.58 3.01 2.58 0.00 -0.58 -4.94 105.19 107.12 3dza n GLY 151 Ca 0.24 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 3dza n GLY 151 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3dza n ASP 152 N 0.41 4.75 0.10 1.61 2.03 -0.20 -4.80 116.55 120.44 3dza n ASP 152 Ca -0.03 -2.99 -0.13 0.00 0.52 0.00 0.00 54.79 52.16 3dza n ASP 152 Cb 0.16 -1.58 -0.07 0.00 -0.72 0.00 0.00 41.12 38.91 3dza n ASP 152 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 3dza h GLN 153 N 6.27 -0.16 -0.41 -0.67 4.15 -1.92 -1.92 115.11 120.44 3dza h GLN 153 Ca 0.44 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.93 3dza h GLN 153 Cb 0.70 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.38 3dza h GLN 153 CO 1.62 -0.11 0.10 -0.22 -1.93 0.00 0.00 178.83 178.29 3dza h LYS 154 N -0.17 0.23 -0.74 1.69 3.64 -1.98 0.34 116.57 119.58 3dza h LYS 154 Ca -0.01 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3dza h LYS 154 Cb 0.13 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 3dza h LYS 154 CO 0.02 0.15 0.39 0.78 -2.27 0.00 0.00 179.45 178.53 3dza h GLY 155 N 0.24 1.12 0.89 5.01 0.00 -1.94 -1.17 103.07 107.23 3dza h GLY 155 Ca 0.20 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 3dza h GLY 155 CO -0.24 0.50 -0.05 0.00 0.00 0.00 0.00 176.54 176.75 3dza h ALA 156 N 1.20 -0.13 -0.69 3.60 0.00 -0.91 -1.20 119.26 121.13 3dza h ALA 156 Ca 0.26 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3dza h ALA 156 Cb 0.06 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3dza h ALA 156 CO -0.04 -0.52 0.33 0.82 0.00 0.00 0.00 179.25 179.85 3dza h ILE 157 N -0.24 1.23 -0.63 0.00 1.08 -0.80 -1.57 117.51 116.58 3dza h ILE 157 Ca -0.01 -0.65 -0.06 0.00 -0.39 0.00 0.00 64.86 63.75 3dza h ILE 157 Cb 0.19 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.30 3dza h ILE 157 CO 0.02 0.27 0.18 0.44 -0.69 0.00 0.00 178.15 178.37 3dza h ASP 158 N 0.96 0.94 -0.52 1.72 3.32 -1.19 0.06 116.42 121.72 3dza h ASP 158 Ca 0.24 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3dza h ASP 158 Cb 0.12 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3dza h ASP 158 CO -0.03 0.91 0.24 0.74 -1.72 0.00 0.00 179.24 179.38 3dza h THR 159 N 0.92 1.20 -0.32 0.35 2.02 -0.88 -1.48 112.91 114.72 3dza h THR 159 Ca 0.20 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 3dza h THR 159 Cb 0.32 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3dza h THR 159 CO -0.00 0.23 0.11 -0.07 0.37 0.00 0.00 175.52 176.15 3dza h LEU 160 N 0.69 0.46 -0.60 2.58 3.38 -1.10 -2.90 115.31 117.81 3dza h LEU 160 Ca 0.18 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.03 3dza h LEU 160 Cb 0.13 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 3dza h LEU 160 CO -0.02 0.53 0.27 -0.09 0.09 0.00 0.00 178.44 179.22 3dza h ARG 161 N 0.37 0.47 0.00 1.13 2.43 -0.66 0.15 114.38 118.27 3dza h ARG 161 Ca 0.10 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3dza h ARG 161 Cb 0.23 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3dza h ARG 161 CO -0.00 0.31 -0.14 -0.07 -1.51 0.00 0.00 179.97 178.56 3dza h LEU 162 N 0.48 0.00 -1.29 3.80 3.38 -1.16 -1.71 115.31 118.82 3dza h LEU 162 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3dza h LEU 162 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3dza h LEU 162 CO -0.25 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.42 3dza n ALA 163 N -2.23 2.48 -0.87 1.53 0.00 -0.54 -4.93 120.51 115.95 3dza n ALA 163 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.82 3dza n ALA 163 Cb 0.30 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3dza n ALA 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dza n GLY 164 N 1.15 0.56 3.23 0.00 0.00 -0.64 -4.78 105.19 104.70 3dza n GLY 164 Ca 0.15 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 3dza n GLY 164 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dza s ILE 165 N -2.00 3.38 -0.11 -0.61 1.01 -0.07 -4.50 121.20 118.30 3dza s ILE 165 Ca 0.00 -1.20 -0.10 0.00 0.00 0.00 0.00 60.65 59.35 3dza s ILE 165 Cb 0.00 -2.90 -0.05 0.00 0.01 0.00 0.00 42.46 39.53 3dza s ILE 165 CO 0.00 -0.10 0.21 -0.83 0.00 0.00 0.00 174.94 174.22 3dza s GLY 166 N 1.34 2.21 -0.13 6.18 0.00 0.44 -2.48 107.32 114.88 3dza s GLY 166 Ca -0.03 -0.54 -0.04 0.00 0.00 0.00 0.00 44.72 44.10 3dza s GLY 166 CO 0.01 -0.09 0.25 0.14 0.00 0.00 0.00 173.10 173.40 3dza s VAL 167 N -0.63 -0.39 0.33 1.40 1.01 -1.26 -1.32 120.40 119.55 3dza s VAL 167 Ca 0.16 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.44 3dza s VAL 167 Cb -0.13 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 3dza s VAL 167 CO 0.05 0.09 0.18 0.27 0.00 0.00 0.00 175.10 175.69 3dza s ILE 168 N 2.40 0.30 -0.18 2.22 -4.36 -0.36 -4.58 121.20 116.65 3dza s ILE 168 Ca 0.02 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.36 3dza s ILE 168 Cb -0.12 -2.47 -0.03 0.00 1.25 0.00 0.00 42.46 41.09 3dza s ILE 168 CO -0.09 0.00 0.01 -0.70 0.24 0.00 0.00 174.94 174.40 3dza s GLU 169 N -3.71 3.73 0.08 0.37 2.12 -0.11 -0.82 118.70 120.36 3dza s GLU 169 Ca 0.34 -0.47 -0.24 0.00 0.36 0.00 0.00 54.97 54.96 3dza s GLU 169 Cb 0.04 -3.07 -0.06 0.00 0.26 0.00 0.00 34.13 31.30 3dza s GLU 169 CO 0.19 0.15 0.73 -0.80 -0.54 0.00 0.00 175.26 174.99 3dza s ASN 170 N 0.64 7.23 0.07 -1.70 0.01 0.66 -0.78 114.94 121.07 3dza s ASN 170 Ca -0.00 1.46 0.08 0.00 -0.71 0.00 0.00 52.86 53.69 3dza s ASN 170 Cb -0.14 -2.46 -0.03 0.00 0.41 0.00 0.00 41.25 39.04 3dza s ASN 170 CO 0.02 0.11 -0.22 -1.10 -1.51 0.00 0.00 177.10 174.41 3dza s GLN 171 N -0.52 1.31 -0.18 -0.60 -0.21 0.06 -1.40 119.66 118.12 3dza s GLN 171 Ca 0.36 -1.06 0.01 0.00 0.02 0.00 0.00 55.36 54.69 3dza s GLN 171 Cb -0.21 -1.52 0.02 0.00 1.00 0.00 0.00 33.01 32.31 3dza s GLN 171 CO 0.23 0.37 -0.19 0.71 -2.12 0.00 0.00 175.29 174.29 3dza s TYR 172 N -0.95 2.77 0.35 0.91 1.51 -0.30 -1.13 117.35 120.52 3dza s TYR 172 Ca 0.08 -1.66 0.02 0.00 -1.01 0.00 0.00 57.07 54.50 3dza s TYR 172 Cb -0.09 -1.91 0.02 0.00 -0.11 0.00 0.00 41.96 39.87 3dza s TYR 172 CO 0.03 -0.81 0.16 1.28 -1.11 0.00 0.00 175.55 175.11 3dza n LEU 173 N 4.62 0.00 -3.89 -1.29 4.77 0.14 -1.42 117.00 119.94 3dza n LEU 173 Ca -0.21 -1.96 -0.27 0.00 -0.03 0.00 0.00 56.01 53.54 3dza n LEU 173 Cb 0.50 0.07 -0.17 0.00 -2.33 0.00 0.00 43.42 41.49 3dza n LEU 173 CO 0.26 -0.40 -0.43 -2.16 -1.33 0.00 0.00 177.39 173.32 3dza s PRO 175 N -3.37 1.41 0.04 3.23 0.04 -1.26 -1.24 135.00 133.84 3dza s PRO 175 Ca 0.12 -0.32 -0.26 0.00 0.04 0.00 0.00 61.00 60.59 3dza s PRO 175 Cb -0.01 -1.70 -0.17 0.00 0.04 0.00 0.00 34.50 32.66 3dza s PRO 175 CO 0.08 -0.33 1.44 1.25 0.04 0.00 0.00 177.00 179.48 3dza h LEU 176 N 8.17 -0.27 -0.23 -3.56 5.85 -1.34 -1.69 115.31 122.23 3dza h LEU 176 Ca -0.27 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 3dza h LEU 176 Cb 1.12 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3dza h LEU 176 CO 0.39 -0.01 0.00 -1.13 -0.34 0.00 0.00 178.44 177.35 3dza h ASN 177 N -0.54 0.41 -0.40 1.25 -1.24 -1.97 -2.27 115.58 110.82 3dza h ASN 177 Ca -0.03 -0.31 -0.06 0.00 0.71 0.00 0.00 56.30 56.60 3dza h ASN 177 Cb 0.40 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.32 3dza h ASN 177 CO 0.05 0.61 0.03 -0.61 -1.29 0.00 0.00 177.43 176.23 3dza h GLN 178 N 0.19 0.77 -0.19 6.67 5.75 -1.94 -1.13 115.11 125.22 3dza h GLN 178 Ca 0.07 -0.19 -0.08 0.00 -0.15 0.00 0.00 58.65 58.30 3dza h GLN 178 Cb 0.41 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.85 3dza h GLN 178 CO 0.01 0.76 -0.20 1.15 -2.65 0.00 0.00 178.83 177.90 3dza h THR 179 N 0.72 1.33 -0.66 2.39 2.02 -1.25 -0.31 112.91 117.16 3dza h THR 179 Ca 0.15 -1.37 0.14 0.00 0.77 0.00 0.00 66.41 66.10 3dza h THR 179 Cb 0.40 1.78 -0.11 0.00 -1.74 0.00 0.00 68.15 68.48 3dza h THR 179 CO 0.01 0.42 0.05 0.03 0.37 0.00 0.00 175.52 176.40 3dza h ARG 180 N 0.14 0.15 -0.34 6.66 3.08 -1.26 -0.32 114.38 122.50 3dza h ARG 180 Ca 0.03 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3dza h ARG 180 Cb 0.75 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 3dza h ARG 180 CO 0.05 0.10 0.15 -0.22 -1.07 0.00 0.00 179.97 178.98 3dza h LYS 181 N 0.15 0.49 -0.66 0.04 3.64 -1.00 -1.97 116.57 117.27 3dza h LYS 181 Ca 0.36 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.62 3dza h LYS 181 Cb 0.59 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 3dza h LYS 181 CO -0.54 0.47 0.27 0.00 -2.27 0.00 0.00 179.45 177.38 3dza h ALA 182 N 1.00 0.85 -0.26 5.00 0.00 -0.53 -0.99 119.26 124.33 3dza h ALA 182 Ca 0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3dza h ALA 182 Cb 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3dza h ALA 182 CO -0.01 0.47 -0.00 0.28 0.00 0.00 0.00 179.25 179.99 3dza h VAL 183 N 0.93 1.26 -0.93 0.00 2.07 -0.95 -0.27 116.25 118.35 3dza h VAL 183 Ca 0.22 -0.92 0.08 0.00 0.82 0.00 0.00 66.70 66.90 3dza h VAL 183 Cb 0.20 1.34 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 3dza h VAL 183 CO -0.02 0.29 0.58 0.00 0.02 0.00 0.00 177.57 178.44 3dza h ALA 184 N 0.82 1.32 -0.61 1.67 0.00 -1.18 -0.15 119.26 121.13 3dza h ALA 184 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3dza h ALA 184 Cb 0.42 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3dza h ALA 184 CO 0.01 0.29 0.00 0.37 0.00 0.00 0.00 179.25 179.92 3dza h GLN 185 N 1.01 1.08 -0.52 0.00 4.15 -0.92 -2.25 115.11 117.66 3dza h GLN 185 Ca 0.42 -0.34 -0.09 0.00 0.77 0.00 0.00 58.65 59.42 3dza h GLN 185 Cb 0.28 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3dza h GLN 185 CO -0.21 1.05 -0.02 0.66 -1.93 0.00 0.00 178.83 178.38 3dza h SER 186 N 0.98 0.87 -0.72 -0.69 4.64 -0.36 -1.70 113.55 116.56 3dza h SER 186 Ca 0.17 -0.23 0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3dza h SER 186 Cb 0.56 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.37 3dza h SER 186 CO 0.03 0.94 0.45 1.56 -0.87 0.00 0.00 176.83 178.95 3dza h GLN 187 N 0.82 0.86 -0.33 4.77 4.20 -0.66 -0.36 115.11 124.41 3dza h GLN 187 Ca 0.15 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 3dza h GLN 187 Cb 0.52 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3dza h GLN 187 CO 0.03 0.57 -0.06 0.93 -0.67 0.00 0.00 178.83 179.63 3dza h GLU 188 N 0.89 0.62 -0.70 1.46 4.39 -1.16 -1.66 114.58 118.42 3dza h GLU 188 Ca 0.29 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 3dza h GLU 188 Cb 0.01 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 3dza h GLU 188 CO -0.11 0.79 0.39 -0.07 -1.16 0.00 0.00 179.01 178.85 3dza h LEU 189 N 0.41 0.86 -0.61 1.33 3.38 -1.05 -2.07 115.31 117.55 3dza h LEU 189 Ca 0.09 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dza h LEU 189 Cb 0.55 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3dza h LEU 189 CO 0.03 0.70 0.39 -0.07 0.09 0.00 0.00 178.44 179.58 3dza h LEU 190 N 0.95 0.71 -1.28 1.67 3.38 -0.92 -0.06 115.31 119.77 3dza h LEU 190 Ca 0.25 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.23 3dza h LEU 190 Cb 0.02 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3dza h LEU 190 CO -0.04 0.53 0.51 0.11 0.09 0.00 0.00 178.44 179.64 3dza h LYS 191 N 0.83 0.87 0.00 1.13 1.57 -0.98 -0.96 116.57 119.03 3dza h LYS 191 Ca 0.22 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3dza h LYS 191 Cb -0.07 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.04 3dza h LYS 191 CO -0.05 0.58 0.00 0.00 -0.57 0.00 0.00 179.45 179.41 3dza n ALA 192 N -2.43 2.54 -1.12 3.86 0.00 -0.81 -4.91 120.51 117.64 3dza n ALA 192 Ca 0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 3dza n ALA 192 Cb 0.17 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.12 3dza n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dza n GLY 193 N 0.97 0.69 2.91 0.00 0.00 -0.37 -4.95 105.19 104.43 3dza n GLY 193 Ca 0.19 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 3dza n GLY 193 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dza n LYS 194 N -2.57 3.88 -0.06 1.61 5.02 -0.09 -4.81 118.16 121.13 3dza n LYS 194 Ca -0.04 -3.83 -0.12 0.00 -2.02 0.00 0.00 58.31 52.30 3dza n LYS 194 Cb 0.17 -2.80 -0.06 0.00 -0.02 0.00 0.00 35.03 32.32 3dza n LYS 194 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3dza h TYR 195 N 5.66 0.39 -0.25 2.13 0.05 -1.90 -0.71 116.97 122.33 3dza h TYR 195 Ca 0.34 -0.08 0.02 0.00 0.05 0.00 0.00 58.73 59.06 3dza h TYR 195 Cb 0.63 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 3dza h TYR 195 CO 1.18 0.60 0.10 -0.92 -1.05 0.00 0.00 178.16 178.07 3dza h TYR 196 N 0.06 0.19 -0.55 4.88 3.20 -1.98 -0.35 116.97 122.43 3dza h TYR 196 Ca 0.05 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.93 3dza h TYR 196 Cb 0.47 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 3dza h TYR 196 CO 0.05 0.10 0.36 0.93 -1.64 0.00 0.00 178.16 177.96 3dza h GLU 197 N 0.23 0.72 -0.62 1.82 3.07 -1.95 -1.66 114.58 116.18 3dza h GLU 197 Ca 0.11 -0.04 0.03 0.00 -0.50 0.00 0.00 59.36 58.95 3dza h GLU 197 Cb 0.06 -0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 27.77 3dza h GLU 197 CO -0.10 0.48 0.39 0.00 -1.40 0.00 0.00 179.01 178.38 3dza h ALA 198 N 1.20 0.81 -0.59 3.43 0.00 -0.86 -0.93 119.26 122.32 3dza h ALA 198 Ca 0.20 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.20 3dza h ALA 198 Cb -0.09 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.42 3dza h ALA 198 CO -0.04 0.14 0.12 -0.97 0.00 0.00 0.00 179.25 178.50 3dza h ASN 199 N 0.77 0.00 0.07 0.00 -1.24 -0.48 -1.18 115.58 113.52 3dza h ASN 199 Ca 0.25 0.11 -0.13 0.00 0.71 0.00 0.00 56.30 57.24 3dza h ASN 199 Cb 0.01 0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 3dza h ASN 199 CO -0.10 0.01 -0.44 -0.07 -1.29 0.00 0.00 177.43 175.54 3dza h LEU 200 N 0.26 0.49 -0.47 0.34 3.38 -0.48 0.90 115.31 119.72 3dza h LEU 200 Ca 0.31 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3dza h LEU 200 Cb 0.46 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3dza h LEU 200 CO -0.40 0.86 0.28 0.58 0.09 0.00 0.00 178.44 179.86 3dza h VAL 201 N 0.37 1.15 -0.69 1.22 2.07 -0.81 0.50 116.25 120.05 3dza h VAL 201 Ca 0.03 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 3dza h VAL 201 Cb 0.92 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3dza h VAL 201 CO 0.08 0.15 0.15 -0.07 0.02 0.00 0.00 177.57 177.90 3dza h LEU 202 N 0.63 1.06 -0.16 2.57 3.38 -1.02 -0.80 115.31 120.96 3dza h LEU 202 Ca 0.17 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3dza h LEU 202 Cb -0.00 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3dza h LEU 202 CO -0.03 1.02 0.00 0.50 0.09 0.00 0.00 178.44 180.02 3dza h LYS 203 N 1.05 0.06 -0.87 1.13 3.64 -0.51 -1.03 116.57 120.03 3dza h LYS 203 Ca 0.22 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.69 3dza h LYS 203 Cb 0.39 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.12 3dza h LYS 203 CO 0.00 0.04 0.52 0.78 -2.27 0.00 0.00 179.45 178.52 3dza h GLY 204 N 0.06 1.36 0.92 5.01 0.00 -0.57 0.31 103.07 110.17 3dza h GLY 204 Ca 0.08 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.08 3dza h GLY 204 CO -0.13 0.17 0.57 0.00 0.00 0.00 0.00 176.54 177.15 3dza h ALA 205 N 1.46 1.13 -0.67 3.60 0.00 -0.40 -0.79 119.26 123.59 3dza h ALA 205 Ca 0.41 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 3dza h ALA 205 Cb 0.34 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3dza h ALA 205 CO -0.23 0.44 0.13 0.93 0.00 0.00 0.00 179.25 180.52 3dza h GLU 206 N 1.12 1.10 0.00 0.00 5.08 -0.18 -2.60 114.58 119.11 3dza h GLU 206 Ca 0.34 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3dza h GLU 206 Cb -0.05 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.07 3dza h GLU 206 CO -0.10 1.00 0.00 0.93 -1.00 0.00 0.00 179.01 179.84 3dza h GLU 207 N 1.03 0.00 0.00 2.33 5.08 -0.39 -2.01 114.58 120.62 3dza h GLU 207 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3dza h GLU 207 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3dza h GLU 207 CO 0.01 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.43 3dza n GLY 208 N -0.26 -1.31 3.66 -3.84 0.00 -0.35 -4.76 105.19 98.33 3dza n GLY 208 Ca 0.00 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 3dza n GLY 208 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dza s ILE 209 N -2.98 4.43 -0.10 -0.61 -1.09 -0.76 -4.50 121.20 115.59 3dza s ILE 209 Ca 0.12 1.73 -0.15 0.00 -2.23 0.00 0.00 60.65 60.12 3dza s ILE 209 Cb 0.16 -4.11 -0.05 0.00 -1.58 0.00 0.00 42.46 36.88 3dza s ILE 209 CO 0.43 -0.15 0.36 -0.69 -1.23 0.00 0.00 174.94 173.66 3dza s VAL 210 N 3.35 5.22 -0.10 2.92 1.01 -0.37 -4.86 120.40 127.56 3dza s VAL 210 Ca 0.51 0.70 -0.14 0.00 0.00 0.00 0.00 61.98 63.05 3dza s VAL 210 Cb -0.19 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 3dza s VAL 210 CO 0.12 0.44 0.34 -0.69 0.00 0.00 0.00 175.10 175.31 3dza s VAL 211 N -0.01 5.22 0.22 2.92 1.01 -1.26 -0.68 120.40 127.81 3dza s VAL 211 Ca 0.21 0.66 -0.01 0.00 0.00 0.00 0.00 61.98 62.84 3dza s VAL 211 Cb -0.14 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3dza s VAL 211 CO 0.08 0.47 0.16 -0.62 0.00 0.00 0.00 175.10 175.19 3dza s ASP 212 N -0.21 0.29 0.07 3.32 -1.08 -0.28 -4.99 116.67 113.79 3dza s ASP 212 Ca 0.20 -1.41 0.04 0.00 -0.52 0.00 0.00 52.55 50.87 3dza s ASP 212 Cb -0.14 0.41 -0.03 0.00 -1.46 0.00 0.00 42.92 41.69 3dza s ASP 212 CO 0.08 -0.88 -0.13 -0.44 0.52 0.00 0.00 175.17 174.33 3dza s SER 213 N -3.17 1.52 0.00 -0.34 0.01 -1.26 -0.76 113.70 109.69 3dza s SER 213 Ca 0.38 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.01 3dza s SER 213 Cb 0.06 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.26 3dza s SER 213 CO 0.13 -0.12 0.00 1.21 0.41 0.00 0.00 173.24 174.87 3dza n GLU 214 N 1.20 0.00 -0.06 12.44 2.13 0.04 -4.96 120.64 131.43 3dza n GLU 214 Ca -0.21 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.55 3dza n GLU 214 Cb 0.55 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.19 3dza n GLU 214 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3dza n LEU 216 N 0.00 1.39 -0.06 4.31 4.77 -1.26 -0.94 117.00 125.20 3dza n LEU 216 Ca 0.00 -0.03 0.16 0.00 -0.03 0.00 0.00 56.01 56.11 3dza n LEU 216 Cb 0.00 -0.08 0.89 0.00 -2.33 0.00 0.00 43.42 41.91 3dza n LEU 216 CO 0.00 0.47 1.08 1.33 -1.33 0.00 0.00 177.39 178.93