#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z3d s THR 3 N 0.00 3.18 0.34 4.28 -4.23 -1.26 -4.83 115.64 113.13 1z3d s THR 3 Ca 0.00 0.66 0.10 0.00 -1.18 0.00 0.00 61.69 61.27 1z3d s THR 3 Cb 0.00 -3.21 0.33 0.00 1.34 0.00 0.00 72.50 70.96 1z3d s THR 3 CO 0.00 -0.24 1.79 1.55 -0.54 0.00 0.00 174.62 177.19 1z3d h PRO 4 N 0.71 0.61 -0.32 3.99 0.13 -1.94 -1.35 132.00 133.83 1z3d h PRO 4 Ca -0.49 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 1z3d h PRO 4 Cb 1.26 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1z3d h PRO 4 CO 0.56 0.40 0.12 1.03 -0.23 0.00 0.00 178.00 179.88 1z3d h SER 5 N 0.63 0.45 0.17 1.44 0.87 -1.78 -2.00 113.55 113.32 1z3d h SER 5 Ca 0.56 -0.18 -0.08 0.00 -1.23 0.00 0.00 61.79 60.86 1z3d h SER 5 Cb 1.06 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 1z3d h SER 5 CO -0.33 0.50 -0.30 0.03 -0.53 0.00 0.00 176.83 176.20 1z3d h ARG 6 N 0.37 0.22 -0.44 2.24 3.08 -1.64 -1.74 114.38 116.47 1z3d h ARG 6 Ca 0.11 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 59.93 1z3d h ARG 6 Cb 0.20 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1z3d h ARG 6 CO -0.01 0.51 -0.29 0.00 -1.07 0.00 0.00 179.97 179.11 1z3d h ARG 7 N 0.19 0.96 -0.32 0.04 3.08 -1.06 -1.62 114.38 115.66 1z3d h ARG 7 Ca 0.03 -0.45 -0.07 0.00 0.07 0.00 0.00 59.98 59.56 1z3d h ARG 7 Cb 0.64 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1z3d h ARG 7 CO 0.05 1.12 -0.08 -0.09 -1.07 0.00 0.00 179.97 179.89 1z3d h ARG 8 N 0.81 0.61 -0.09 0.04 9.65 -1.18 -2.59 114.38 121.65 1z3d h ARG 8 Ca 0.09 -0.24 -0.01 0.00 -1.10 0.00 0.00 59.98 58.72 1z3d h ARG 8 Cb 0.87 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.41 1z3d h ARG 8 CO 0.08 0.80 -0.01 -0.07 2.80 0.00 0.00 179.97 183.56 1z3d h LEU 9 N 0.39 0.11 -0.39 3.80 3.38 -1.19 0.29 115.31 121.70 1z3d h LEU 9 Ca 0.08 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 1z3d h LEU 9 Cb 0.57 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1z3d h LEU 9 CO 0.03 0.15 -0.41 0.24 0.09 0.00 0.00 178.44 178.54 1z3d h MET 10 N 0.12 0.92 -0.33 1.13 2.86 -1.12 -1.69 114.93 116.83 1z3d h MET 10 Ca 0.03 -0.50 -0.11 0.00 -2.06 0.00 0.00 59.70 57.06 1z3d h MET 10 Cb 0.11 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1z3d h MET 10 CO 0.00 1.15 -0.24 0.00 1.06 0.00 0.00 176.91 178.88 1z3d h ARG 11 N 0.75 0.64 -0.98 1.72 3.08 -0.75 -1.75 114.38 117.07 1z3d h ARG 11 Ca 0.05 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 59.86 1z3d h ARG 11 Cb 1.00 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.97 1z3d h ARG 11 CO 0.10 0.82 0.65 -0.44 -1.07 0.00 0.00 179.97 180.04 1z3d h ASP 12 N 0.56 1.13 -0.25 7.04 3.45 -0.15 -1.30 116.42 126.91 1z3d h ASP 12 Ca 0.08 -0.03 -0.09 0.00 0.43 0.00 0.00 57.03 57.42 1z3d h ASP 12 Cb 0.71 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 39.19 1z3d h ASP 12 CO 0.05 0.82 -0.18 0.15 -1.57 0.00 0.00 179.24 178.51 1z3d h PHE 13 N 1.33 0.66 -0.35 4.55 3.57 -0.99 -1.50 116.94 124.20 1z3d h PHE 13 Ca 0.36 -0.18 0.05 0.00 3.53 0.00 0.00 57.97 61.73 1z3d h PHE 13 Cb -0.15 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.40 1z3d h PHE 13 CO -0.00 0.86 0.09 -0.22 -2.23 0.00 0.00 178.31 176.80 1z3d h LYS 14 N 0.27 0.21 -0.65 1.11 3.64 -0.98 -0.64 116.57 119.53 1z3d h LYS 14 Ca 0.05 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 1z3d h LYS 14 Cb 0.72 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1z3d h LYS 14 CO 0.05 0.14 0.06 0.87 -2.27 0.00 0.00 179.45 178.30 1z3d h LYS 15 N 0.21 1.11 -0.10 1.90 1.57 -1.21 -1.84 116.57 118.21 1z3d h LYS 15 Ca 0.17 -0.32 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 1z3d h LYS 15 Cb 0.18 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1z3d h LYS 15 CO -0.21 1.04 -0.21 1.25 -0.57 0.00 0.00 179.45 180.75 1z3d h LEU 16 N 1.03 0.17 0.23 2.94 5.85 -0.73 -2.78 115.31 122.00 1z3d h LEU 16 Ca 0.19 -0.04 -0.32 0.00 0.84 0.00 0.00 57.88 58.55 1z3d h LEU 16 Cb 0.50 -0.04 0.03 0.00 0.37 0.00 0.00 40.66 41.52 1z3d h LEU 16 CO 0.02 0.40 -1.42 1.56 -0.34 0.00 0.00 178.44 178.66 1z3d h GLN 17 N 0.16 0.48 -0.64 1.25 1.08 -0.92 -2.69 115.11 113.83 1z3d h GLN 17 Ca 0.03 -0.82 -0.02 0.00 -1.45 0.00 0.00 58.65 56.39 1z3d h GLN 17 Cb 0.48 0.31 -0.03 0.00 -0.05 0.00 0.00 27.48 28.18 1z3d h GLN 17 CO 0.03 1.39 0.33 0.93 -0.95 0.00 0.00 178.83 180.57 1z3d h GLU 18 N 0.05 0.92 -2.17 1.46 5.08 -1.30 -3.37 114.58 115.25 1z3d h GLU 18 Ca -0.25 -0.12 -0.56 0.00 -1.00 0.00 0.00 59.36 57.42 1z3d h GLU 18 Cb 2.07 -0.17 -0.37 0.00 0.50 0.00 0.00 28.75 30.78 1z3d h GLU 18 CO 0.24 0.71 -1.00 -3.47 -1.00 0.00 0.00 179.01 174.49 1z3d n ASP 19 N -4.51 -0.40 -4.72 1.42 4.64 -1.06 -5.12 116.55 106.80 1z3d n ASP 19 Ca 0.05 -2.51 -0.41 0.00 -1.38 0.00 0.00 54.79 50.54 1z3d n ASP 19 Cb 0.11 -0.48 -0.04 0.00 -1.04 0.00 0.00 41.12 39.68 1z3d n ASP 19 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1z3d s PRO 20 N -0.32 4.62 0.74 -0.67 0.04 -1.01 -4.75 135.00 133.65 1z3d s PRO 20 Ca 0.34 1.51 -0.15 0.00 0.04 0.00 0.00 61.00 62.73 1z3d s PRO 20 Cb 0.08 -3.39 0.04 0.00 0.04 0.00 0.00 34.50 31.28 1z3d s PRO 20 CO -0.17 0.08 1.23 -2.14 0.04 0.00 0.00 177.00 176.04 1z3d s PRO 21 N 0.34 2.07 0.40 0.56 0.02 -1.26 -4.91 135.00 132.21 1z3d s PRO 21 Ca 0.50 1.85 -0.27 0.00 0.02 0.00 0.00 61.00 63.09 1z3d s PRO 21 Cb -0.24 -1.81 -0.10 0.00 0.02 0.00 0.00 34.50 32.36 1z3d s PRO 21 CO 0.30 -1.91 1.46 0.00 -0.33 0.00 0.00 177.00 176.51 1z3d s ALA 22 N -1.87 3.47 -1.98 -1.55 0.00 -1.26 -2.32 121.76 116.26 1z3d s ALA 22 Ca 0.76 1.52 0.00 0.00 0.00 0.00 0.00 51.96 54.24 1z3d s ALA 22 Cb -0.31 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1z3d s ALA 22 CO 0.46 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.56 1z3d n GLY 23 N 0.51 0.59 2.80 0.00 0.00 -1.26 -4.89 105.19 102.95 1z3d n GLY 23 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 1z3d n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1z3d s VAL 24 N -2.92 0.20 0.07 1.61 1.01 -0.98 -0.48 120.40 118.91 1z3d s VAL 24 Ca 0.00 0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.92 1z3d s VAL 24 Cb 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 36.38 36.10 1z3d s VAL 24 CO 0.00 0.17 0.39 -0.94 0.00 0.00 0.00 175.10 174.72 1z3d s SER 25 N 1.24 -0.24 -0.25 3.32 1.04 -0.91 -4.40 113.70 113.50 1z3d s SER 25 Ca -0.07 -0.15 -0.33 0.00 0.48 0.00 0.00 55.95 55.89 1z3d s SER 25 Cb -0.13 0.43 0.17 0.00 0.10 0.00 0.00 66.02 66.59 1z3d s SER 25 CO -0.02 -0.73 1.30 -0.83 0.98 0.00 0.00 173.24 173.94 1z3d s GLY 26 N -2.32 -0.09 -0.04 7.32 0.00 -1.26 -0.65 107.32 110.27 1z3d s GLY 26 Ca -0.02 2.28 -0.25 0.00 0.00 0.00 0.00 44.72 46.73 1z3d s GLY 26 CO -0.06 0.86 0.54 0.00 0.00 0.00 0.00 173.10 174.44 1z3d s ALA 27 N -1.58 -1.39 0.36 3.20 0.00 -0.32 -4.99 121.76 117.05 1z3d s ALA 27 Ca 0.09 0.94 -0.27 0.00 0.00 0.00 0.00 51.96 52.71 1z3d s ALA 27 Cb -0.01 0.03 -0.09 0.00 0.00 0.00 0.00 23.12 23.04 1z3d s ALA 27 CO -0.05 -0.33 1.27 -1.25 0.00 0.00 0.00 175.76 175.40 1z3d s PRO 28 N -1.24 4.19 0.49 0.00 0.04 -1.26 -1.58 135.00 135.63 1z3d s PRO 28 Ca -0.12 2.10 -0.24 0.00 0.04 0.00 0.00 61.00 62.78 1z3d s PRO 28 Cb -0.02 -2.90 -0.07 0.00 0.04 0.00 0.00 34.50 31.55 1z3d s PRO 28 CO 0.08 -0.29 1.38 0.25 0.04 0.00 0.00 177.00 178.46 1z3d n THR 29 N 0.47 3.19 0.20 1.26 -2.24 0.13 -4.85 114.28 112.44 1z3d n THR 29 Ca 0.02 -0.50 0.09 0.00 -2.27 0.00 0.00 64.05 61.39 1z3d n THR 29 Cb 0.43 -1.73 0.47 0.00 -2.10 0.00 0.00 70.33 67.40 1z3d n THR 29 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1z3d n GLU 30 N -0.50 0.12 0.00 -0.78 2.13 -1.26 -2.31 120.64 118.05 1z3d n GLU 30 Ca 0.08 0.56 0.07 0.00 0.66 0.00 0.00 57.16 58.53 1z3d n GLU 30 Cb 0.42 -1.85 -0.06 0.00 0.27 0.00 0.00 31.44 30.22 1z3d n GLU 30 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1z3d n ASP 31 N -2.11 0.93 -3.19 4.31 5.75 -1.26 -4.92 116.55 116.07 1z3d n ASP 31 Ca -0.00 -0.96 0.01 0.00 -0.01 0.00 0.00 54.79 53.83 1z3d n ASP 31 Cb 0.07 0.87 -0.02 0.00 -1.03 0.00 0.00 41.12 41.01 1z3d n ASP 31 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1z3d s ASN 32 N -2.27 -1.11 0.60 -1.12 3.04 -0.98 -5.01 114.94 108.09 1z3d s ASN 32 Ca 0.07 0.48 0.33 0.00 0.04 0.00 0.00 52.86 53.78 1z3d s ASN 32 Cb 0.12 1.91 1.89 0.00 -1.54 0.00 0.00 41.25 43.63 1z3d s ASN 32 CO 0.56 -0.28 2.25 -0.29 -3.04 0.00 0.00 177.10 176.29 1z3d h ILE 33 N 6.04 0.42 0.00 -5.21 2.10 -1.92 -1.37 117.51 117.57 1z3d h ILE 33 Ca -0.15 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.70 1z3d h ILE 33 Cb 1.16 1.06 0.00 0.00 -1.09 0.00 0.00 36.82 37.96 1z3d h ILE 33 CO 0.23 0.02 0.00 0.18 -1.08 0.00 0.00 178.15 177.50 1z3d n LEU 34 N -3.65 0.31 -4.08 2.19 4.77 -1.26 -4.57 117.00 110.72 1z3d n LEU 34 Ca -0.03 0.57 -0.32 0.00 -0.03 0.00 0.00 56.01 56.20 1z3d n LEU 34 Cb 0.11 -0.51 -0.16 0.00 -2.33 0.00 0.00 43.42 40.52 1z3d n LEU 34 CO 0.26 -0.33 -0.51 -0.89 -1.33 0.00 0.00 177.39 174.59 1z3d s THR 35 N -3.12 1.84 0.47 -5.08 2.01 -0.52 0.12 115.64 111.36 1z3d s THR 35 Ca 0.07 -0.81 0.05 0.00 0.31 0.00 0.00 61.69 61.31 1z3d s THR 35 Cb 0.11 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 1z3d s THR 35 CO 0.37 0.50 0.10 0.26 -0.69 0.00 0.00 174.62 175.16 1z3d s TRP 36 N 1.32 2.18 0.00 4.92 0.52 -0.31 0.21 118.94 127.78 1z3d s TRP 36 Ca 0.04 -0.78 0.00 0.00 0.02 0.00 0.00 56.10 55.38 1z3d s TRP 36 Cb -0.13 -1.78 -0.00 0.00 -1.15 0.00 0.00 33.47 30.41 1z3d s TRP 36 CO -0.11 0.18 -0.00 -2.00 0.02 0.00 0.00 176.95 175.04 1z3d s GLU 37 N -3.89 0.04 0.20 4.98 2.12 -0.62 -2.49 118.70 119.04 1z3d s GLU 37 Ca 0.26 -0.05 -0.03 0.00 0.36 0.00 0.00 54.97 55.50 1z3d s GLU 37 Cb 0.04 -0.01 -0.03 0.00 0.26 0.00 0.00 34.13 34.38 1z3d s GLU 37 CO 0.14 0.00 0.18 0.00 -0.54 0.00 0.00 175.26 175.05 1z3d s ALA 38 N -0.11 0.89 -0.04 6.30 0.00 -0.05 -1.18 121.76 127.58 1z3d s ALA 38 Ca -0.01 -1.53 0.01 0.00 0.00 0.00 0.00 51.96 50.43 1z3d s ALA 38 Cb -0.01 1.28 0.02 0.00 0.00 0.00 0.00 23.12 24.42 1z3d s ALA 38 CO -0.00 -0.63 -0.03 0.42 0.00 0.00 0.00 175.76 175.52 1z3d s ILE 39 N -4.12 0.42 -0.15 0.00 1.01 0.17 -0.40 121.20 118.13 1z3d s ILE 39 Ca 0.35 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.94 1z3d s ILE 39 Cb 0.06 -0.45 0.01 0.00 0.01 0.00 0.00 42.46 42.09 1z3d s ILE 39 CO 0.10 0.19 -0.21 -0.63 0.00 0.00 0.00 174.94 174.40 1z3d s ILE 40 N 0.83 1.99 0.12 2.92 -1.09 -0.59 -2.13 121.20 123.26 1z3d s ILE 40 Ca -0.10 -0.93 -0.24 0.00 -2.23 0.00 0.00 60.65 57.15 1z3d s ILE 40 Cb -0.13 -1.78 -0.07 0.00 -1.58 0.00 0.00 42.46 38.90 1z3d s ILE 40 CO -0.00 0.53 0.73 -0.36 -1.23 0.00 0.00 174.94 174.61 1z3d s PHE 41 N 0.98 3.86 0.14 3.97 0.08 0.36 -1.87 117.98 125.51 1z3d s PHE 41 Ca -0.03 1.53 -0.34 0.00 0.12 0.00 0.00 56.93 58.21 1z3d s PHE 41 Cb -0.15 -2.73 -0.14 0.00 -0.57 0.00 0.00 43.02 39.44 1z3d s PHE 41 CO -0.05 0.48 1.61 0.41 -0.10 0.00 0.00 175.22 177.58 1z3d n GLY 42 N 1.77 1.19 3.63 4.36 0.00 -0.05 -4.86 105.19 111.23 1z3d n GLY 42 Ca -0.06 0.67 -0.46 0.00 0.00 0.00 0.00 46.02 46.17 1z3d n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1z3d n PRO 43 N 3.74 1.62 -0.08 1.61 -0.04 -1.26 -4.19 135.00 136.40 1z3d n PRO 43 Ca 0.17 0.57 -0.02 0.00 -0.04 0.00 0.00 63.50 64.19 1z3d n PRO 43 Cb 0.29 -2.10 -0.02 0.00 -0.04 0.00 0.00 33.50 31.63 1z3d n PRO 43 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1z3d n GLN 44 N 1.44 -0.08 -1.55 0.54 1.13 -1.26 -2.64 117.38 114.95 1z3d n GLN 44 Ca 0.11 0.48 -0.31 0.00 -1.94 0.00 0.00 57.00 55.35 1z3d n GLN 44 Cb 0.30 -0.72 0.06 0.00 0.11 0.00 0.00 30.24 30.00 1z3d n GLN 44 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1z3d n GLU 45 N -3.39 2.98 -4.57 -1.09 -0.58 -1.26 -4.73 120.64 107.99 1z3d n GLU 45 Ca 0.00 -3.58 -0.26 0.00 -0.42 0.00 0.00 57.16 52.90 1z3d n GLU 45 Cb 0.05 -2.28 -0.11 0.00 -0.57 0.00 0.00 31.44 28.53 1z3d n GLU 45 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1z3d s THR 46 N -4.71 1.84 -0.30 2.62 -4.23 -1.08 -5.01 115.64 104.77 1z3d s THR 46 Ca 0.60 -2.02 0.22 0.00 -1.18 0.00 0.00 61.69 59.31 1z3d s THR 46 Cb 0.47 -2.92 0.22 0.00 1.34 0.00 0.00 72.50 71.62 1z3d s THR 46 CO 0.01 -0.02 1.67 -0.81 -0.54 0.00 0.00 174.62 174.92 1z3d n PRO 47 N -0.89 0.15 -0.01 3.99 -0.04 -1.26 -0.82 135.00 136.13 1z3d n PRO 47 Ca -0.04 0.57 0.14 0.00 -0.04 0.00 0.00 63.50 64.12 1z3d n PRO 47 Cb 0.67 -1.93 0.54 0.00 -0.04 0.00 0.00 33.50 32.74 1z3d n PRO 47 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1z3d n PHE 48 N -2.24 0.02 -1.51 0.54 3.01 -1.26 -4.49 117.46 111.53 1z3d n PHE 48 Ca -0.00 -0.01 -0.56 0.00 1.01 0.00 0.00 57.45 57.89 1z3d n PHE 48 Cb 0.09 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.50 1z3d n PHE 48 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1z3d n GLU 49 N 0.10 0.25 -1.00 -1.08 2.13 -0.00 -1.17 120.64 119.87 1z3d n GLU 49 Ca 0.19 0.09 0.00 0.00 0.66 0.00 0.00 57.16 58.10 1z3d n GLU 49 Cb 0.33 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 30.50 1z3d n GLU 49 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1z3d n ASP 50 N 1.74 -1.66 -4.76 4.31 8.00 -1.26 -4.92 116.55 118.00 1z3d n ASP 50 Ca 0.19 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.30 1z3d n ASP 50 Cb 0.13 -0.31 -0.05 0.00 -0.02 0.00 0.00 41.12 40.86 1z3d n ASP 50 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1z3d s GLY 51 N -2.00 3.03 -0.68 0.44 0.00 -0.32 -4.83 107.32 102.96 1z3d s GLY 51 Ca 0.00 0.68 0.05 0.00 0.00 0.00 0.00 44.72 45.45 1z3d s GLY 51 CO 0.00 1.23 0.48 2.41 0.00 0.00 0.00 173.10 177.23 1z3d n THR 52 N 1.14 1.35 -3.05 0.90 -1.04 -1.26 -0.87 114.28 111.45 1z3d n THR 52 Ca -0.01 -4.72 -0.40 0.00 -2.04 0.00 0.00 64.05 56.88 1z3d n THR 52 Cb 0.47 -2.13 -0.05 0.00 -1.82 0.00 0.00 70.33 66.80 1z3d n THR 52 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1z3d s PHE 53 N -1.33 3.40 -0.02 -1.42 0.08 -0.78 -4.54 117.98 113.37 1z3d s PHE 53 Ca 0.26 1.03 -0.19 0.00 0.12 0.00 0.00 56.93 58.14 1z3d s PHE 53 Cb -0.03 -2.86 -0.05 0.00 -0.57 0.00 0.00 43.02 39.51 1z3d s PHE 53 CO -0.17 -0.18 0.55 0.21 -0.10 0.00 0.00 175.22 175.53 1z3d s LYS 54 N 1.93 4.27 0.15 0.44 2.20 -1.26 -1.54 119.74 125.93 1z3d s LYS 54 Ca 0.32 0.64 0.06 0.00 -0.36 0.00 0.00 55.97 56.63 1z3d s LYS 54 Cb -0.16 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1z3d s LYS 54 CO 0.11 0.37 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.83 1z3d s LEU 55 N -0.16 2.47 -0.06 5.43 1.02 0.47 0.55 118.68 128.41 1z3d s LEU 55 Ca 0.29 -0.91 0.05 0.00 0.02 0.00 0.00 54.13 53.58 1z3d s LEU 55 Cb -0.17 -0.55 -0.02 0.00 0.02 0.00 0.00 46.19 45.46 1z3d s LEU 55 CO 0.15 -0.19 -0.21 -0.55 0.02 0.00 0.00 176.35 175.57 1z3d s SER 56 N -2.85 3.40 -0.14 2.29 0.15 0.90 -0.87 113.70 116.58 1z3d s SER 56 Ca 0.15 -0.41 -0.00 0.00 0.70 0.00 0.00 55.95 56.39 1z3d s SER 56 Cb -0.02 -0.82 0.03 0.00 -1.71 0.00 0.00 66.02 63.50 1z3d s SER 56 CO 0.04 0.28 -0.09 -0.76 1.20 0.00 0.00 173.24 173.91 1z3d s LEU 57 N -0.35 1.47 -0.24 3.45 1.02 -1.04 -1.29 118.68 121.71 1z3d s LEU 57 Ca 0.02 -0.47 -0.05 0.00 0.02 0.00 0.00 54.13 53.66 1z3d s LEU 57 Cb -0.12 -0.97 -0.01 0.00 0.02 0.00 0.00 46.19 45.11 1z3d s LEU 57 CO 0.02 -0.12 -0.00 -1.61 0.02 0.00 0.00 176.35 174.66 1z3d s GLU 58 N 1.62 3.37 0.14 1.70 2.02 -0.24 -1.16 118.70 126.14 1z3d s GLU 58 Ca 0.04 -0.64 0.04 0.00 0.02 0.00 0.00 54.97 54.42 1z3d s GLU 58 Cb -0.13 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.94 1z3d s GLU 58 CO -0.09 -0.24 0.16 -0.06 0.02 0.00 0.00 175.26 175.05 1z3d s PHE 59 N 1.50 3.25 0.56 1.61 0.08 0.12 -1.77 117.98 123.32 1z3d s PHE 59 Ca 0.05 0.04 0.05 0.00 0.12 0.00 0.00 56.93 57.19 1z3d s PHE 59 Cb -0.15 -1.58 0.04 0.00 -0.57 0.00 0.00 43.02 40.77 1z3d s PHE 59 CO -0.01 0.52 0.38 0.95 -0.10 0.00 0.00 175.22 176.96 1z3d s THR 60 N -1.66 1.48 -1.32 0.64 -4.23 -1.26 -4.77 115.64 104.50 1z3d s THR 60 Ca 0.32 -1.54 0.26 0.00 -1.18 0.00 0.00 61.69 59.54 1z3d s THR 60 Cb -0.11 -2.02 0.39 0.00 1.34 0.00 0.00 72.50 72.10 1z3d s THR 60 CO 0.24 0.00 1.85 -0.62 -0.54 0.00 0.00 174.62 175.56 1z3d n GLU 61 N -1.76 0.28 0.00 3.99 -0.58 -1.26 -2.68 120.64 118.62 1z3d n GLU 61 Ca -0.04 0.05 0.14 0.00 -0.42 0.00 0.00 57.16 56.89 1z3d n GLU 61 Cb 0.65 -1.50 0.55 0.00 -0.57 0.00 0.00 31.44 30.56 1z3d n GLU 61 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1z3d n GLU 62 N -1.34 0.36 -2.00 3.49 1.02 -1.26 -4.46 120.64 116.45 1z3d n GLU 62 Ca 0.11 -0.12 -0.39 0.00 -0.02 0.00 0.00 57.16 56.74 1z3d n GLU 62 Cb 0.23 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.16 1z3d n GLU 62 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1z3d s TYR 63 N -2.72 2.66 -2.17 -0.32 5.04 -1.09 -0.67 117.35 118.08 1z3d s TYR 63 Ca 0.21 1.41 0.22 0.00 -2.44 0.00 0.00 57.07 56.47 1z3d s TYR 63 Cb 0.19 -3.67 1.04 0.00 0.35 0.00 0.00 41.96 39.87 1z3d s TYR 63 CO 0.53 -2.27 1.70 -0.35 -1.34 0.00 0.00 175.55 173.83 1z3d n PRO 64 N -0.31 1.37 -0.20 4.97 -0.04 -1.26 -4.04 135.00 135.49 1z3d n PRO 64 Ca 0.06 -0.55 -0.06 0.00 -0.04 0.00 0.00 63.50 62.92 1z3d n PRO 64 Cb 0.45 -1.37 0.10 0.00 -0.04 0.00 0.00 33.50 32.63 1z3d n PRO 64 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1z3d h ASN 65 N 1.15 0.95 -3.65 3.54 2.35 -1.25 -3.37 115.58 115.30 1z3d h ASN 65 Ca 0.00 -0.20 -0.67 0.00 -0.55 0.00 0.00 56.30 54.88 1z3d h ASN 65 Cb 0.25 -0.25 -0.23 0.00 0.05 0.00 0.00 38.32 38.14 1z3d h ASN 65 CO 0.00 0.93 -0.74 -0.54 -1.65 0.00 0.00 177.43 175.44 1z3d s LYS 66 N -5.23 2.96 0.80 0.81 1.02 -0.98 -4.82 119.74 114.30 1z3d s LYS 66 Ca -0.11 -0.63 -0.11 0.00 0.02 0.00 0.00 55.97 55.14 1z3d s LYS 66 Cb 0.15 -2.57 0.07 0.00 -0.52 0.00 0.00 37.83 34.96 1z3d s LYS 66 CO 0.83 0.47 1.10 -1.25 -0.92 0.00 0.00 175.35 175.58 1z3d s PRO 67 N -0.31 2.04 0.60 -1.68 0.04 -1.26 -4.09 135.00 130.34 1z3d s PRO 67 Ca 0.03 1.19 -0.03 0.00 0.04 0.00 0.00 61.00 62.23 1z3d s PRO 67 Cb -0.13 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.57 1z3d s PRO 67 CO 0.03 -1.80 0.87 -1.25 0.04 0.00 0.00 177.00 174.88 1z3d s PRO 68 N -4.88 2.61 -0.15 0.56 0.04 -1.26 -4.84 135.00 127.08 1z3d s PRO 68 Ca 0.62 -0.35 -0.09 0.00 0.04 0.00 0.00 61.00 61.22 1z3d s PRO 68 Cb -0.18 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 1z3d s PRO 68 CO 0.56 -0.82 0.14 0.95 0.04 0.00 0.00 177.00 177.88 1z3d s THR 69 N -2.95 5.45 -0.10 1.26 -4.23 -0.73 -4.90 115.64 109.45 1z3d s THR 69 Ca 0.56 0.22 0.03 0.00 -1.18 0.00 0.00 61.69 61.32 1z3d s THR 69 Cb -0.10 -3.44 0.01 0.00 1.34 0.00 0.00 72.50 70.30 1z3d s THR 69 CO 0.42 0.54 -0.20 -0.69 -0.54 0.00 0.00 174.62 174.15 1z3d s VAL 70 N -0.39 1.79 0.04 2.29 1.01 -1.26 -1.08 120.40 122.79 1z3d s VAL 70 Ca 0.12 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.30 1z3d s VAL 70 Cb -0.12 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 1z3d s VAL 70 CO 0.02 0.50 -0.14 -0.54 0.00 0.00 0.00 175.10 174.93 1z3d s LYS 71 N 0.52 0.96 0.17 2.72 1.02 -0.41 -1.45 119.74 123.27 1z3d s LYS 71 Ca -0.16 -0.76 -0.29 0.00 0.02 0.00 0.00 55.97 54.77 1z3d s LYS 71 Cb -0.17 -0.97 -0.07 0.00 -0.52 0.00 0.00 37.83 36.09 1z3d s LYS 71 CO 0.06 0.24 0.93 -0.06 -0.92 0.00 0.00 175.35 175.60 1z3d s PHE 72 N -0.84 3.90 -0.20 3.18 0.08 0.13 -0.07 117.98 124.16 1z3d s PHE 72 Ca 0.02 1.83 -0.13 0.00 0.12 0.00 0.00 56.93 58.77 1z3d s PHE 72 Cb -0.08 -2.99 -0.20 0.00 -0.57 0.00 0.00 43.02 39.18 1z3d s PHE 72 CO 0.01 0.35 0.13 -0.89 -0.10 0.00 0.00 175.22 174.72 1z3d n ILE 73 N 2.08 1.61 -1.41 0.64 5.41 0.19 -4.45 119.36 123.44 1z3d n ILE 73 Ca -0.01 -0.34 -0.35 0.00 1.00 0.00 0.00 62.75 63.06 1z3d n ILE 73 Cb 0.48 -1.86 0.10 0.00 -0.71 0.00 0.00 39.64 37.65 1z3d n ILE 73 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1z3d s SER 74 N -6.99 4.04 0.54 4.38 0.01 -1.03 -4.91 113.70 109.74 1z3d s SER 74 Ca -0.29 2.51 -0.21 0.00 1.31 0.00 0.00 55.95 59.26 1z3d s SER 74 Cb 0.08 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 1z3d s SER 74 CO 0.63 -2.37 1.26 -0.54 0.41 0.00 0.00 173.24 172.63 1z3d s LYS 75 N -3.77 3.26 0.04 12.44 -0.14 -1.26 -4.91 119.74 125.40 1z3d s LYS 75 Ca 0.78 2.00 0.01 0.00 -1.36 0.00 0.00 55.97 57.40 1z3d s LYS 75 Cb -0.33 -2.21 -0.02 0.00 -1.68 0.00 0.00 37.83 33.59 1z3d s LYS 75 CO 0.46 -1.02 -0.06 1.41 -0.76 0.00 0.00 175.35 175.37 1z3d s MET 76 N -2.96 0.47 -0.31 1.68 -2.45 -1.26 -4.88 119.30 109.58 1z3d s MET 76 Ca 0.71 -0.74 -0.03 0.00 -1.25 0.00 0.00 55.69 54.38 1z3d s MET 76 Cb -0.34 -0.13 0.10 0.00 1.25 0.00 0.00 34.83 35.71 1z3d s MET 76 CO 0.40 0.01 0.13 0.12 1.05 0.00 0.00 175.02 176.73 1z3d s PHE 77 N -1.59 0.81 -0.16 4.11 5.36 -1.26 -5.05 117.98 120.21 1z3d s PHE 77 Ca -0.11 -1.24 -0.21 0.00 -0.96 0.00 0.00 56.93 54.42 1z3d s PHE 77 Cb -0.09 -1.17 0.05 0.00 -0.34 0.00 0.00 43.02 41.48 1z3d s PHE 77 CO -0.01 -0.84 0.55 -1.58 -1.46 0.00 0.00 175.22 171.88 1z3d s HIS 78 N 1.82 -0.57 0.31 10.12 2.46 -1.26 -4.86 115.29 123.31 1z3d s HIS 78 Ca 0.10 1.29 0.06 0.00 0.47 0.00 0.00 55.06 56.98 1z3d s HIS 78 Cb -0.17 0.23 0.73 0.00 -0.13 0.00 0.00 32.58 33.23 1z3d s HIS 78 CO -0.29 -0.35 1.80 -1.35 -2.47 0.00 0.00 174.74 172.07 1z3d h PRO 79 N 4.75 0.77 -0.65 2.88 0.11 -1.84 -2.14 132.00 135.88 1z3d h PRO 79 Ca -0.28 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1z3d h PRO 79 Cb 1.17 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1z3d h PRO 79 CO 0.22 0.51 0.00 0.09 -0.21 0.00 0.00 178.00 178.61 1z3d n ASN 80 N -4.71 4.51 -4.21 -2.05 4.13 -1.26 -0.20 115.26 111.47 1z3d n ASN 80 Ca 0.22 -2.61 -0.33 0.00 1.68 0.00 0.00 54.58 53.54 1z3d n ASN 80 Cb 0.53 -0.60 -0.16 0.00 -1.54 0.00 0.00 39.78 38.01 1z3d n ASN 80 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1z3d s VAL 81 N -2.19 2.44 0.92 2.41 1.01 -0.80 -0.70 120.40 123.49 1z3d s VAL 81 Ca 0.43 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 1z3d s VAL 81 Cb 0.31 -2.03 0.14 0.00 0.00 0.00 0.00 36.38 34.81 1z3d s VAL 81 CO 0.15 0.52 1.10 -0.31 0.00 0.00 0.00 175.10 176.57 1z3d s TYR 82 N 1.00 2.36 0.34 5.22 1.51 -0.03 -4.00 117.35 123.76 1z3d s TYR 82 Ca -0.02 1.04 0.04 0.00 -1.01 0.00 0.00 57.07 57.12 1z3d s TYR 82 Cb -0.15 -3.25 0.68 0.00 -0.11 0.00 0.00 41.96 39.13 1z3d s TYR 82 CO -0.04 -2.49 1.95 0.00 -1.11 0.00 0.00 175.55 173.86 1z3d h ALA 83 N -1.60 1.64 -0.04 3.71 0.00 -1.89 -1.16 119.26 119.92 1z3d h ALA 83 Ca -0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1z3d h ALA 83 Cb 1.31 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1z3d h ALA 83 CO 0.58 0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.68 1z3d n ASP 84 N -4.48 0.30 0.00 0.00 3.85 -1.26 -4.86 116.55 110.10 1z3d n ASP 84 Ca 0.11 -1.60 0.00 0.00 -0.71 0.00 0.00 54.79 52.59 1z3d n ASP 84 Cb 0.21 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 39.95 1z3d n ASP 84 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1z3d n GLY 85 N 0.79 0.88 3.72 6.12 0.00 -0.44 -4.71 105.19 111.55 1z3d n GLY 85 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1z3d n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1z3d s SER 86 N -2.86 6.42 -0.24 1.61 0.01 -1.26 0.22 113.70 117.61 1z3d s SER 86 Ca 0.00 2.81 -0.17 0.00 1.31 0.00 0.00 55.95 59.91 1z3d s SER 86 Cb 0.00 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 1z3d s SER 86 CO 0.00 -0.94 0.46 -0.63 0.41 0.00 0.00 173.24 172.54 1z3d s ILE 87 N 1.22 5.12 -0.53 1.44 1.01 -0.53 -0.85 121.20 128.09 1z3d s ILE 87 Ca 0.74 0.79 -0.20 0.00 0.00 0.00 0.00 60.65 61.98 1z3d s ILE 87 Cb -0.48 -3.78 0.06 0.00 0.01 0.00 0.00 42.46 38.27 1z3d s ILE 87 CO 0.32 0.15 0.69 0.00 0.00 0.00 0.00 174.94 176.10 1z3d s LEU 89 N 2.89 0.95 0.32 0.00 2.96 -1.26 -4.86 118.68 119.67 1z3d s LEU 89 Ca 0.17 -0.04 0.08 0.00 -0.22 0.00 0.00 54.13 54.12 1z3d s LEU 89 Cb -0.19 -0.29 0.79 0.00 0.50 0.00 0.00 46.19 47.01 1z3d s LEU 89 CO 0.12 -0.13 1.77 -2.24 -1.32 0.00 0.00 176.35 174.56 1z3d h ASP 90 N 7.61 0.74 0.59 3.68 3.04 -1.98 0.17 116.42 130.27 1z3d h ASP 90 Ca -0.33 0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.55 1z3d h ASP 90 Cb 1.13 -0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.39 1z3d h ASP 90 CO 0.39 0.24 0.00 2.30 -2.04 0.00 0.00 179.24 180.13 1z3d n ILE 91 N -4.76 0.93 0.92 4.15 -5.35 -1.26 -0.43 119.36 113.56 1z3d n ILE 91 Ca 0.24 0.24 0.10 0.00 -0.27 0.00 0.00 62.75 63.06 1z3d n ILE 91 Cb 0.62 -1.06 -0.05 0.00 -1.74 0.00 0.00 39.64 37.40 1z3d n ILE 91 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1z3d n LEU 92 N -1.79 0.84 0.00 7.28 4.77 0.02 -3.26 117.00 124.86 1z3d n LEU 92 Ca 0.03 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1z3d n LEU 92 Cb 0.19 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1z3d n LEU 92 CO 0.16 0.20 0.00 0.00 -1.33 0.00 0.00 177.39 176.42 1z3d n GLN 93 N -1.57 0.00 -0.00 3.23 6.02 -0.40 -4.74 117.38 119.92 1z3d n GLN 93 Ca 0.04 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.09 1z3d n GLN 93 Cb 0.35 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.52 1z3d n GLN 93 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1z3d n ASN 94 N -0.23 0.87 -1.91 1.08 6.94 -0.80 -4.36 115.26 116.85 1z3d n ASN 94 Ca 0.00 -0.67 -0.04 0.00 -0.02 0.00 0.00 54.58 53.85 1z3d n ASN 94 Cb 0.00 1.13 0.31 0.00 -2.36 0.00 0.00 39.78 38.86 1z3d n ASN 94 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1z3d n ARG 95 N -1.47 3.71 -2.46 -3.83 1.74 0.43 -4.99 116.66 109.79 1z3d n ARG 95 Ca 0.02 -3.10 -0.41 0.00 -0.77 0.00 0.00 57.85 53.59 1z3d n ARG 95 Cb 0.25 -2.19 -0.04 0.00 -1.02 0.00 0.00 32.46 29.46 1z3d n ARG 95 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1z3d s TRP 96 N -2.99 3.53 -0.06 -1.55 -0.11 -1.20 -4.46 118.94 112.10 1z3d s TRP 96 Ca 0.54 1.57 0.03 0.00 1.22 0.00 0.00 56.10 59.47 1z3d s TRP 96 Cb 0.43 -3.33 0.01 0.00 -1.50 0.00 0.00 33.47 29.08 1z3d s TRP 96 CO 0.13 -0.78 -0.15 0.45 -4.62 0.00 0.00 176.95 171.97 1z3d s SER 97 N -0.25 2.08 0.00 5.86 0.15 -1.26 -5.00 113.70 115.28 1z3d s SER 97 Ca 0.49 -0.35 0.05 0.00 0.70 0.00 0.00 55.95 56.84 1z3d s SER 97 Cb -0.31 -0.83 0.30 0.00 -1.71 0.00 0.00 66.02 63.47 1z3d s SER 97 CO 0.37 0.09 0.86 -2.65 1.20 0.00 0.00 173.24 173.11 1z3d n PRO 98 N 3.54 0.14 0.04 5.44 -0.02 -1.26 -1.19 135.00 141.69 1z3d n PRO 98 Ca -0.21 0.08 0.12 0.00 -2.02 0.00 0.00 63.50 61.47 1z3d n PRO 98 Cb 0.52 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.63 1z3d n PRO 98 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1z3d n THR 99 N -1.09 0.22 -2.56 3.45 -2.24 -1.26 -4.88 114.28 105.92 1z3d n THR 99 Ca 0.04 -0.21 -0.40 0.00 -2.27 0.00 0.00 64.05 61.20 1z3d n THR 99 Cb 0.03 0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.28 1z3d n THR 99 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1z3d s TYR 100 N -3.15 3.70 0.25 4.78 4.12 -0.33 -5.05 117.35 121.67 1z3d s TYR 100 Ca 0.06 1.75 0.00 0.00 0.02 0.00 0.00 57.07 58.90 1z3d s TYR 100 Cb 0.14 -3.19 -0.00 0.00 -1.52 0.00 0.00 41.96 37.39 1z3d s TYR 100 CO 0.75 -0.26 0.00 -0.40 0.02 0.00 0.00 175.55 175.66 1z3d n ASP 101 N 1.46 2.64 -0.28 2.29 5.68 -1.26 -4.97 116.55 122.10 1z3d n ASP 101 Ca -0.01 -2.11 0.01 0.00 -0.50 0.00 0.00 54.79 52.18 1z3d n ASP 101 Cb 0.46 0.19 0.14 0.00 -1.14 0.00 0.00 41.12 40.77 1z3d n ASP 101 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1z3d h VAL 102 N 1.14 0.97 -0.43 2.12 2.07 -1.97 -0.50 116.25 119.65 1z3d h VAL 102 Ca -0.21 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.05 1z3d h VAL 102 Cb 0.64 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1z3d h VAL 102 CO 0.35 0.15 0.25 0.00 0.02 0.00 0.00 177.57 178.33 1z3d h ALA 103 N 1.41 0.55 -0.60 1.67 0.00 -1.96 -1.11 119.26 119.22 1z3d h ALA 103 Ca 0.36 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 1z3d h ALA 103 Cb 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1z3d h ALA 103 CO -0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 179.25 178.95 1z3d h ALA 104 N 1.20 0.84 -0.15 0.00 0.00 -1.78 -1.22 119.26 118.15 1z3d h ALA 104 Ca 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1z3d h ALA 104 Cb 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1z3d h ALA 104 CO -0.09 0.67 0.06 0.82 0.00 0.00 0.00 179.25 180.71 1z3d h ILE 105 N 0.97 1.15 -0.30 0.00 2.04 -0.81 -1.31 117.51 119.26 1z3d h ILE 105 Ca 0.17 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1z3d h ILE 105 Cb 0.57 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1z3d h ILE 105 CO 0.03 0.14 0.10 -0.07 0.00 0.00 0.00 178.15 178.35 1z3d h LEU 106 N 0.08 0.43 -0.49 1.44 3.38 -1.16 -2.01 115.31 116.98 1z3d h LEU 106 Ca 0.05 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 57.90 1z3d h LEU 106 Cb 0.17 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 1z3d h LEU 106 CO -0.00 0.52 0.09 0.74 0.09 0.00 0.00 178.44 179.88 1z3d h THR 107 N 0.33 0.72 -0.41 0.22 2.02 -1.15 -0.21 112.91 114.44 1z3d h THR 107 Ca 0.10 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1z3d h THR 107 Cb 0.24 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1z3d h THR 107 CO -0.00 0.04 0.25 0.28 0.37 0.00 0.00 175.52 176.46 1z3d h SER 108 N 0.23 0.48 0.12 4.18 0.02 -1.02 -1.07 113.55 116.49 1z3d h SER 108 Ca 0.25 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1z3d h SER 108 Cb 0.33 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 1z3d h SER 108 CO -0.32 0.37 -0.09 0.40 -1.14 0.00 0.00 176.83 176.05 1z3d h ILE 109 N 0.54 0.89 -0.13 3.27 2.04 -0.82 0.23 117.51 123.53 1z3d h ILE 109 Ca 0.15 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.56 1z3d h ILE 109 Cb -0.03 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1z3d h ILE 109 CO -0.03 0.09 -0.41 -0.61 0.00 0.00 0.00 178.15 177.18 1z3d h GLN 110 N 0.00 0.51 -0.23 2.37 4.15 -0.25 -3.15 115.11 118.51 1z3d h GLN 110 Ca -0.00 -0.37 -0.09 0.00 0.77 0.00 0.00 58.65 58.96 1z3d h GLN 110 Cb 0.17 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 1z3d h GLN 110 CO 0.01 1.00 -0.22 0.77 -1.93 0.00 0.00 178.83 178.45 1z3d h SER 111 N 0.12 0.42 0.52 -0.69 0.02 -0.40 -2.70 113.55 110.84 1z3d h SER 111 Ca -0.01 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1z3d h SER 111 Cb 1.04 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1z3d h SER 111 CO 0.09 0.65 0.00 0.25 -1.14 0.00 0.00 176.83 176.68 1z3d h LEU 112 N 0.38 0.00 -0.03 5.07 5.85 -0.56 -3.14 115.31 122.88 1z3d h LEU 112 Ca 0.06 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1z3d h LEU 112 Cb 0.61 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 1z3d h LEU 112 CO 0.04 0.00 0.01 -0.07 -0.34 0.00 0.00 178.44 178.08 1z3d h LEU 113 N 0.00 0.05 -2.37 2.25 3.38 -1.44 -3.14 115.31 114.04 1z3d h LEU 113 Ca 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1z3d h LEU 113 Cb 0.26 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1z3d h LEU 113 CO 0.00 0.24 0.00 -0.67 0.09 0.00 0.00 178.44 178.10 1z3d n ASP 114 N -4.96 3.46 -3.11 -0.43 4.64 -1.21 -4.52 116.55 110.41 1z3d n ASP 114 Ca -0.07 -2.00 -0.21 0.00 -1.38 0.00 0.00 54.79 51.14 1z3d n ASP 114 Cb 0.13 -0.42 -0.04 0.00 -1.04 0.00 0.00 41.12 39.74 1z3d n ASP 114 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1z3d n GLU 115 N 1.40 0.74 -1.71 -0.67 1.02 -1.19 -5.10 120.64 115.13 1z3d n GLU 115 Ca 0.22 -2.96 -0.43 0.00 -0.02 0.00 0.00 57.16 53.97 1z3d n GLU 115 Cb 0.55 -1.29 -0.01 0.00 -0.02 0.00 0.00 31.44 30.67 1z3d n GLU 115 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1z3d n PRO 116 N 1.36 2.33 -2.48 3.49 -0.02 -1.22 -4.68 135.00 133.78 1z3d n PRO 116 Ca 0.19 0.82 -0.43 0.00 -2.02 0.00 0.00 63.50 62.06 1z3d n PRO 116 Cb 0.56 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 1z3d n PRO 116 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1z3d s ASN 117 N 0.10 7.00 0.00 2.55 3.84 -1.26 -4.90 114.94 122.26 1z3d s ASN 117 Ca 0.61 1.65 0.23 0.00 0.21 0.00 0.00 52.86 55.56 1z3d s ASN 117 Cb -0.56 -2.54 0.89 0.00 -0.55 0.00 0.00 41.25 38.49 1z3d s ASN 117 CO 0.55 -0.71 1.63 -0.81 -2.79 0.00 0.00 177.10 174.98 1z3d n PRO 118 N 6.28 1.65 0.00 0.43 -0.04 -1.26 -4.47 135.00 137.58 1z3d n PRO 118 Ca 0.13 -0.96 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 1z3d n PRO 118 Cb 0.45 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1z3d n PRO 118 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1z3d n ASN 119 N 0.18 0.00 -3.51 3.54 4.13 -1.26 -4.50 115.26 113.84 1z3d n ASN 119 Ca 0.17 0.92 -0.29 0.00 1.68 0.00 0.00 54.58 57.06 1z3d n ASN 119 Cb 0.31 -0.42 -0.12 0.00 -1.54 0.00 0.00 39.78 38.01 1z3d n ASN 119 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1z3d s SER 120 N -2.59 3.14 0.46 6.41 0.15 -1.26 -5.13 113.70 114.89 1z3d s SER 120 Ca 0.00 -2.16 -0.25 0.00 0.70 0.00 0.00 55.95 54.24 1z3d s SER 120 Cb 0.00 -0.50 -0.08 0.00 -1.71 0.00 0.00 66.02 63.73 1z3d s SER 120 CO 0.00 -0.32 1.43 -2.16 1.20 0.00 0.00 173.24 173.39 1z3d s PRO 121 N 1.07 3.61 -0.07 5.44 0.04 -1.26 -4.88 135.00 138.95 1z3d s PRO 121 Ca 0.17 2.42 0.12 0.00 0.04 0.00 0.00 61.00 63.76 1z3d s PRO 121 Cb -0.23 -2.61 -0.23 0.00 0.04 0.00 0.00 34.50 31.47 1z3d s PRO 121 CO -0.03 -0.88 0.58 0.00 0.04 0.00 0.00 177.00 176.71 1z3d n ALA 122 N -0.29 1.47 -3.52 8.56 0.00 0.72 -4.68 120.51 122.76 1z3d n ALA 122 Ca 0.06 -0.83 -0.36 0.00 0.00 0.00 0.00 53.44 52.31 1z3d n ALA 122 Cb 0.42 -0.76 -0.13 0.00 0.00 0.00 0.00 19.45 18.98 1z3d n ALA 122 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1z3d s ASN 123 N -6.06 5.11 -0.03 0.00 3.84 0.18 -4.73 114.94 113.25 1z3d s ASN 123 Ca -0.06 -1.35 -0.26 0.00 0.21 0.00 0.00 52.86 51.40 1z3d s ASN 123 Cb 0.08 -1.79 -0.20 0.00 -0.55 0.00 0.00 41.25 38.78 1z3d s ASN 123 CO 0.82 -0.33 1.21 0.28 -2.79 0.00 0.00 177.10 176.29 1z3d h SER 124 N 8.09 0.05 -0.70 -4.21 0.02 -1.85 -2.44 113.55 112.51 1z3d h SER 124 Ca -0.21 -0.55 0.16 0.00 -0.84 0.00 0.00 61.79 60.36 1z3d h SER 124 Cb 1.07 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.55 1z3d h SER 124 CO 0.59 0.59 0.48 0.25 -1.14 0.00 0.00 176.83 177.60 1z3d h LEU 125 N -0.49 0.23 0.23 5.07 5.85 -1.98 -0.32 115.31 123.89 1z3d h LEU 125 Ca 0.00 0.01 -0.30 0.00 0.84 0.00 0.00 57.88 58.43 1z3d h LEU 125 Cb 0.58 -0.03 0.04 0.00 0.37 0.00 0.00 40.66 41.62 1z3d h LEU 125 CO 0.01 0.11 -1.31 0.00 -0.34 0.00 0.00 178.44 176.90 1z3d h ALA 126 N 1.66 -0.15 -0.01 1.25 0.00 -1.90 -1.93 119.26 118.18 1z3d h ALA 126 Ca 0.34 -0.82 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 1z3d h ALA 126 Cb 1.01 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1z3d h ALA 126 CO -0.07 0.61 -0.30 0.00 0.00 0.00 0.00 179.25 179.49 1z3d h ALA 127 N 0.14 1.48 0.37 0.00 0.00 -0.87 0.13 119.26 120.51 1z3d h ALA 127 Ca -0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1z3d h ALA 127 Cb 2.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1z3d h ALA 127 CO 0.25 0.39 -0.18 0.37 0.00 0.00 0.00 179.25 180.08 1z3d h GLN 128 N 0.02 -0.49 -0.08 0.00 5.75 -1.10 -2.96 115.11 116.26 1z3d h GLN 128 Ca 0.00 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1z3d h GLN 128 Cb 0.54 0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.20 1z3d h GLN 128 CO 0.04 -0.21 0.05 -0.07 -2.65 0.00 0.00 178.83 175.99 1z3d h LEU 129 N -1.04 0.08 -0.35 -2.39 3.38 -1.25 0.57 115.31 114.30 1z3d h LEU 129 Ca -0.05 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1z3d h LEU 129 Cb 0.50 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1z3d h LEU 129 CO 0.08 0.06 0.07 0.22 0.09 0.00 0.00 178.44 178.96 1z3d h TYR 130 N 0.09 0.61 0.15 1.13 3.20 -0.99 -0.45 116.97 120.69 1z3d h TYR 130 Ca 0.03 -0.08 -0.35 0.00 3.14 0.00 0.00 58.73 61.47 1z3d h TYR 130 Cb 0.01 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.11 1z3d h TYR 130 CO -0.00 0.62 -1.81 -0.56 -1.64 0.00 0.00 178.16 174.76 1z3d h GLN 131 N 0.42 0.31 -0.07 1.82 -0.00 -1.27 -3.37 115.11 112.96 1z3d h GLN 131 Ca 0.11 -0.53 0.00 0.00 -0.00 0.00 0.00 58.65 58.23 1z3d h GLN 131 Cb 0.32 0.20 0.00 0.00 -0.00 0.00 0.00 27.48 28.00 1z3d h GLN 131 CO 0.00 1.21 0.00 -1.91 -0.00 0.00 0.00 178.83 178.14 1z3d n GLU 132 N -3.51 2.10 -2.68 0.06 4.07 0.19 -4.73 120.64 116.15 1z3d n GLU 132 Ca -0.26 -1.86 -0.05 0.00 -0.06 0.00 0.00 57.16 54.93 1z3d n GLU 132 Cb 1.06 -1.43 0.09 0.00 -0.06 0.00 0.00 31.44 31.11 1z3d n GLU 132 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1z3d n ASN 133 N 1.26 -1.52 0.03 4.31 2.85 -0.30 -4.95 115.26 116.94 1z3d n ASN 133 Ca 0.13 -2.32 0.01 0.00 -0.11 0.00 0.00 54.58 52.30 1z3d n ASN 133 Cb 0.55 1.32 0.07 0.00 1.24 0.00 0.00 39.78 42.97 1z3d n ASN 133 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1z3d n ARG 134 N 0.28 0.02 0.07 1.20 1.85 -0.52 -0.84 116.66 118.73 1z3d n ARG 134 Ca -0.05 0.36 -0.23 0.00 -1.00 0.00 0.00 57.85 56.93 1z3d n ARG 134 Cb 0.74 -1.77 -0.15 0.00 -1.05 0.00 0.00 32.46 30.23 1z3d n ARG 134 CO 0.00 0.00 0.00 0.07 -0.01 0.00 0.00 177.63 177.69 1z3d h ARG 135 N 0.00 0.38 0.00 2.89 0.11 -1.94 -2.96 114.38 112.86 1z3d h ARG 135 Ca 0.00 -0.65 -0.10 0.00 0.10 0.00 0.00 59.98 59.33 1z3d h ARG 135 Cb 0.42 0.24 -0.01 0.00 1.11 0.00 0.00 29.97 31.73 1z3d h ARG 135 CO 0.00 1.31 -0.48 1.49 0.10 0.00 0.00 179.97 182.39 1z3d h GLU 136 N -0.04 0.00 -0.18 0.08 4.57 -1.31 -2.65 114.58 115.05 1z3d h GLU 136 Ca -0.30 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.83 1z3d h GLU 136 Cb 1.98 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.57 1z3d h GLU 136 CO 0.17 0.48 -0.09 -0.92 -1.18 0.00 0.00 179.01 177.47 1z3d h TYR 137 N 0.00 0.43 0.00 0.92 5.03 -1.49 -2.75 116.97 119.11 1z3d h TYR 137 Ca -0.00 -0.11 -0.05 0.00 2.58 0.00 0.00 58.73 61.15 1z3d h TYR 137 Cb 1.07 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.24 1z3d h TYR 137 CO 0.00 0.68 -0.24 0.93 -1.32 0.00 0.00 178.16 178.21 1z3d h GLU 138 N 0.05 0.00 0.08 1.82 5.08 -1.47 -2.04 114.58 118.11 1z3d h GLU 138 Ca 0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1z3d h GLU 138 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1z3d h GLU 138 CO 0.03 0.24 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.02 1z3d h LYS 139 N 0.00 -0.11 0.00 2.33 3.64 -1.32 -1.68 116.57 119.43 1z3d h LYS 139 Ca -0.00 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1z3d h LYS 139 Cb 0.56 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1z3d h LYS 139 CO 0.03 0.18 -0.10 0.00 -2.27 0.00 0.00 179.45 177.29 1z3d h ARG 140 N -0.40 0.00 0.03 1.90 3.08 -1.32 -2.33 114.38 115.34 1z3d h ARG 140 Ca -0.01 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.79 1z3d h ARG 140 Cb 0.34 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.40 1z3d h ARG 140 CO 0.02 0.10 -1.03 0.28 -1.07 0.00 0.00 179.97 178.27 1z3d h VAL 141 N 0.00 1.38 -0.08 2.04 2.07 -1.23 -2.79 116.25 117.64 1z3d h VAL 141 Ca -0.00 -2.49 -0.07 0.00 0.82 0.00 0.00 66.70 64.96 1z3d h VAL 141 Cb 0.56 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1z3d h VAL 141 CO 0.01 0.75 -0.27 -0.61 0.02 0.00 0.00 177.57 177.47 1z3d h GLN 142 N 0.24 0.13 -0.26 1.57 5.75 -0.83 0.20 115.11 121.91 1z3d h GLN 142 Ca -0.11 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.24 1z3d h GLN 142 Cb 1.69 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 30.21 1z3d h GLN 142 CO 0.18 0.40 -0.29 0.37 -2.65 0.00 0.00 178.83 176.85 1z3d h GLN 143 N 0.12 0.52 0.00 1.69 4.15 -1.35 -2.23 115.11 118.01 1z3d h GLN 143 Ca 0.02 -0.22 -0.16 0.00 0.77 0.00 0.00 58.65 59.06 1z3d h GLN 143 Cb 0.55 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 1z3d h GLN 143 CO 0.04 0.76 -0.76 0.82 -1.93 0.00 0.00 178.83 177.76 1z3d h ILE 144 N 0.45 1.38 -0.23 2.39 1.08 -1.06 -2.80 117.51 118.72 1z3d h ILE 144 Ca 0.06 -2.77 -0.05 0.00 -0.39 0.00 0.00 64.86 61.71 1z3d h ILE 144 Cb 0.74 2.57 -0.01 0.00 -3.07 0.00 0.00 36.82 37.05 1z3d h ILE 144 CO 0.06 0.75 -0.05 0.58 -0.69 0.00 0.00 178.15 178.79 1z3d h VAL 145 N 0.00 1.28 -0.33 1.67 2.07 -0.70 -1.45 116.25 118.79 1z3d h VAL 145 Ca -0.01 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 1z3d h VAL 145 Cb 1.50 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1z3d h VAL 145 CO 0.10 0.32 0.09 -0.33 0.02 0.00 0.00 177.57 177.77 1z3d h GLU 146 N 0.17 0.52 0.00 1.57 5.08 -1.45 -2.68 114.58 117.80 1z3d h GLU 146 Ca 0.06 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1z3d h GLU 146 Cb 0.51 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1z3d h GLU 146 CO 0.02 0.57 -0.12 1.96 -1.00 0.00 0.00 179.01 180.44 1z3d h GLN 147 N 0.38 0.00 0.00 2.33 4.20 -1.47 -1.69 115.11 118.86 1z3d h GLN 147 Ca 0.11 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 1z3d h GLN 147 Cb 0.27 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 1z3d h GLN 147 CO -0.00 0.12 -0.01 0.66 -0.67 0.00 0.00 178.83 178.93 1z3d h SER 148 N 0.00 0.00 0.73 1.46 4.64 -0.90 -1.84 113.55 117.65 1z3d h SER 148 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1z3d h SER 148 Cb 0.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1z3d h SER 148 CO 0.02 0.01 -0.29 -0.50 -0.87 0.00 0.00 176.83 175.19 1z3d h TRP 149 N 0.00 0.00 0.00 4.77 6.55 -1.34 -2.49 115.95 123.44 1z3d h TRP 149 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1z3d h TRP 149 Cb 0.30 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.60 1z3d h TRP 149 CO 0.00 0.29 0.00 1.28 -1.05 0.00 0.00 178.44 178.96 1z3d n LEU 150 N -3.57 0.66 -0.01 -4.49 4.77 -0.69 -3.85 117.00 109.82 1z3d n LEU 150 Ca -0.01 0.66 -0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1z3d n LEU 150 Cb 0.43 -0.58 -0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1z3d n LEU 150 CO 0.35 -0.56 0.01 0.78 -1.33 0.00 0.00 177.39 176.64 1z3d h ASN 151 N 0.00 -0.01 0.00 -1.43 4.21 -1.57 -3.53 115.58 113.25 1z3d h ASN 151 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1z3d h ASN 151 Cb 0.36 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.56 1z3d h ASN 151 CO 0.00 0.12 0.00 0.33 -1.29 0.00 0.00 177.43 176.59