#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zts n LEU 2 N 0.00 0.00 -0.81 4.03 4.77 -1.26 -4.69 117.00 119.05 1zts n LEU 2 Ca 0.00 1.03 0.04 0.00 -0.03 0.00 0.00 56.01 57.05 1zts n LEU 2 Cb 0.00 -2.90 0.06 0.00 -2.33 0.00 0.00 43.42 38.25 1zts n LEU 2 CO 0.00 -2.41 0.25 -0.11 -1.33 0.00 0.00 177.39 173.79 1zts n LEU 3 N 0.00 1.12 -4.43 2.23 7.94 -1.26 -5.07 117.00 117.52 1zts n LEU 3 Ca 0.01 -2.11 -0.30 0.00 -1.11 0.00 0.00 56.01 52.50 1zts n LEU 3 Cb 0.44 -0.14 -0.13 0.00 0.53 0.00 0.00 43.42 44.12 1zts n LEU 3 CO 0.01 0.58 -0.52 0.27 -1.11 0.00 0.00 177.39 176.62 1zts s ILE 4 N -0.92 2.56 0.36 1.96 -4.36 -1.26 -5.14 121.20 114.40 1zts s ILE 4 Ca 0.23 -1.47 -0.00 0.00 -0.26 0.00 0.00 60.65 59.15 1zts s ILE 4 Cb 0.24 -2.11 -0.03 0.00 1.25 0.00 0.00 42.46 41.80 1zts s ILE 4 CO -0.07 0.20 0.57 0.42 0.24 0.00 0.00 174.94 176.31 1zts s THR 5 N -1.01 5.05 0.29 8.37 -4.23 -1.26 -5.01 115.64 117.85 1zts s THR 5 Ca 0.15 -0.40 0.16 0.00 -1.18 0.00 0.00 61.69 60.41 1zts s THR 5 Cb -0.10 -3.85 0.10 0.00 1.34 0.00 0.00 72.50 69.99 1zts s THR 5 CO 0.06 -0.58 1.77 1.55 -0.54 0.00 0.00 174.62 176.89 1zts h PRO 6 N 0.69 0.00 -0.06 3.99 0.13 -1.88 -2.92 132.00 131.95 1zts h PRO 6 Ca -0.49 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.52 1zts h PRO 6 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1zts h PRO 6 CO 0.61 0.40 -0.49 -0.44 -0.23 0.00 0.00 178.00 177.86 1zts h ASP 7 N 0.00 0.17 -0.13 1.44 5.19 -1.94 -3.04 116.42 118.11 1zts h ASP 7 Ca -0.00 -0.08 -0.16 0.00 -0.62 0.00 0.00 57.03 56.17 1zts h ASP 7 Cb 0.80 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.26 1zts h ASP 7 CO 0.05 0.63 -0.49 -0.08 -3.12 0.00 0.00 179.24 176.24 1zts h GLU 8 N 0.13 0.70 -0.28 3.56 4.22 -1.92 -2.55 114.58 118.43 1zts h GLU 8 Ca 0.00 -0.41 0.06 0.00 0.08 0.00 0.00 59.36 59.10 1zts h GLU 8 Cb 0.91 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.13 1zts h GLU 8 CO 0.07 1.03 -0.14 1.25 -2.18 0.00 0.00 179.01 179.04 1zts h LEU 9 N 0.55 -0.47 -1.07 1.64 5.85 -1.49 -0.99 115.31 119.34 1zts h LEU 9 Ca 0.03 0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 1zts h LEU 9 Cb 1.05 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1zts h LEU 9 CO 0.10 -0.18 -0.44 0.07 -0.34 0.00 0.00 178.44 177.65 1zts h LYS 10 N -0.11 0.06 -0.07 1.25 2.10 -1.59 0.26 116.57 118.47 1zts h LYS 10 Ca 0.15 -0.03 0.02 0.00 -2.00 0.00 0.00 60.65 58.79 1zts h LYS 10 Cb 0.33 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.65 1zts h LYS 10 CO -0.35 0.49 0.12 1.03 -2.00 0.00 0.00 179.45 178.74 1zts h SER 11 N 0.05 0.00 0.00 7.07 0.87 -0.75 -3.02 113.55 117.77 1zts h SER 11 Ca 0.00 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.42 1zts h SER 11 Cb 0.80 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.73 1zts h SER 11 CO 0.06 0.00 -1.55 0.00 -0.53 0.00 0.00 176.83 174.81 1zts n TYR 12 N -3.49 0.00 -1.54 2.24 4.19 -1.01 -5.04 117.16 112.51 1zts n TYR 12 Ca -0.01 0.00 -0.38 0.00 3.31 0.00 0.00 57.90 60.82 1zts n TYR 12 Cb 0.21 -0.37 0.04 0.00 0.49 0.00 0.00 39.34 39.72 1zts n TYR 12 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1zts n SER 13 N -2.78 -0.13 -0.03 2.98 7.64 0.87 -4.93 113.62 117.24 1zts n SER 13 Ca -0.17 0.78 0.04 0.00 1.01 0.00 0.00 58.87 60.53 1zts n SER 13 Cb 0.68 -1.28 -0.14 0.00 -1.01 0.00 0.00 64.21 62.46 1zts n SER 13 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1zts n VAL 14 N -1.65 0.35 -2.26 0.44 0.24 -1.26 -4.87 118.33 109.31 1zts n VAL 14 Ca 0.13 -0.51 -0.43 0.00 -2.04 0.00 0.00 64.34 61.49 1zts n VAL 14 Cb 0.47 -0.11 -0.02 0.00 -1.47 0.00 0.00 33.84 32.71 1zts n VAL 14 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1zts s PHE 15 N -3.02 2.60 0.55 6.34 0.08 -1.26 -4.88 117.98 118.38 1zts s PHE 15 Ca -0.07 0.73 0.40 0.00 0.12 0.00 0.00 56.93 58.11 1zts s PHE 15 Cb 0.10 -3.65 2.13 0.00 -0.57 0.00 0.00 43.02 41.03 1zts s PHE 15 CO 0.75 -2.47 2.28 1.49 -0.10 0.00 0.00 175.22 177.17 1zts h GLU 16 N 8.52 0.00 -0.59 0.44 4.81 -1.99 -1.99 114.58 123.78 1zts h GLU 16 Ca -0.33 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.82 1zts h GLU 16 Cb 1.14 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1zts h GLU 16 CO 0.95 0.01 0.04 1.03 -0.73 0.00 0.00 179.01 180.31 1zts h SER 17 N 0.00 0.96 0.51 1.04 0.87 -1.93 0.26 113.55 115.27 1zts h SER 17 Ca -0.00 -0.25 -0.19 0.00 -1.23 0.00 0.00 61.79 60.13 1zts h SER 17 Cb 0.11 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1zts h SER 17 CO 0.00 1.00 -0.81 0.58 -0.53 0.00 0.00 176.83 177.07 1zts h VAL 18 N 0.92 1.46 0.00 2.23 2.07 -1.61 -2.74 116.25 118.59 1zts h VAL 18 Ca 0.18 -2.45 -0.10 0.00 0.82 0.00 0.00 66.70 65.15 1zts h VAL 18 Cb 0.48 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 1zts h VAL 18 CO 0.02 0.72 -0.48 0.11 0.02 0.00 0.00 177.57 177.96 1zts h LYS 19 N 0.13 0.00 -0.03 1.57 1.57 -1.38 -3.31 116.57 115.13 1zts h LYS 19 Ca -0.04 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1zts h LYS 19 Cb 1.41 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.72 1zts h LYS 19 CO 0.13 0.48 -0.33 1.79 -0.57 0.00 0.00 179.45 180.95 1zts h THR 20 N 0.00 1.47 -3.33 -0.16 1.35 -0.45 -3.46 112.91 108.34 1zts h THR 20 Ca -0.00 -1.86 -0.54 0.00 -0.55 0.00 0.00 66.41 63.45 1zts h THR 20 Cb 1.36 2.55 0.20 0.00 -1.73 0.00 0.00 68.15 70.54 1zts h THR 20 CO 0.06 0.52 -0.50 0.54 -0.25 0.00 0.00 175.52 175.90 1zts n ARG 21 N -4.44 -0.02 -0.03 4.72 1.74 -1.04 -4.99 116.66 112.60 1zts n ARG 21 Ca -0.09 0.04 -0.01 0.00 -0.77 0.00 0.00 57.85 57.02 1zts n ARG 21 Cb 0.52 -1.85 0.01 0.00 -1.02 0.00 0.00 32.46 30.12 1zts n ARG 21 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1zts n PRO 22 N -1.26 -1.07 -0.01 5.56 -0.04 -1.26 -4.88 135.00 132.03 1zts n PRO 22 Ca 0.08 -0.04 0.03 0.00 -0.04 0.00 0.00 63.50 63.53 1zts n PRO 22 Cb 0.52 -0.04 -0.12 0.00 -0.04 0.00 0.00 33.50 33.82 1zts n PRO 22 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1zts n ASP 23 N -3.05 0.33 0.08 3.54 10.43 -1.26 -2.99 116.55 123.63 1zts n ASP 23 Ca 0.00 0.14 -0.07 0.00 2.57 0.00 0.00 54.79 57.44 1zts n ASP 23 Cb 0.01 1.07 0.07 0.00 1.84 0.00 0.00 41.12 44.12 1zts n ASP 23 CO 0.00 0.00 0.00 1.05 -1.07 0.00 0.00 177.20 177.18 1zts h GLU 24 N 0.00 0.27 0.07 -1.24 4.11 -2.00 -3.02 114.58 112.77 1zts h GLU 24 Ca -0.18 -0.21 -0.33 0.00 0.07 0.00 0.00 59.36 58.71 1zts h GLU 24 Cb 1.47 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.73 1zts h GLU 24 CO 0.02 0.85 -1.83 -0.07 0.07 0.00 0.00 179.01 178.05 1zts h LEU 25 N 0.19 0.23 -1.44 3.06 3.38 -1.96 -3.30 115.31 115.47 1zts h LEU 25 Ca -0.02 -0.50 0.07 0.00 0.09 0.00 0.00 57.88 57.52 1zts h LEU 25 Cb 1.23 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 1zts h LEU 25 CO 0.11 1.45 0.45 -0.07 0.09 0.00 0.00 178.44 180.46 1zts h LEU 26 N 0.04 0.60 -0.37 1.67 3.38 -1.59 -1.19 115.31 117.85 1zts h LEU 26 Ca -0.35 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.44 1zts h LEU 26 Cb 2.02 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 1zts h LEU 26 CO 0.09 0.39 -0.79 0.07 0.09 0.00 0.00 178.44 178.29 1zts h LYS 27 N 0.68 0.29 -0.58 1.13 2.10 -1.67 -3.07 116.57 115.45 1zts h LYS 27 Ca 0.30 -0.27 0.05 0.00 -2.00 0.00 0.00 60.65 58.73 1zts h LYS 27 Cb 0.29 0.07 -0.05 0.00 -0.90 0.00 0.00 32.23 31.63 1zts h LYS 27 CO -0.09 0.94 0.30 1.96 -2.00 0.00 0.00 179.45 180.56 1zts h GLN 28 N 0.18 0.55 -0.18 0.07 4.20 -1.30 -0.44 115.11 118.20 1zts h GLN 28 Ca -0.04 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 1zts h GLN 28 Cb 1.38 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 1zts h GLN 28 CO 0.13 0.36 -0.34 0.22 -0.67 0.00 0.00 178.83 178.53 1zts h ASP 29 N 0.57 0.37 -0.47 1.46 3.58 -1.53 -2.67 116.42 117.73 1zts h ASP 29 Ca 0.26 -0.14 -0.08 0.00 0.42 0.00 0.00 57.03 57.49 1zts h ASP 29 Cb 0.17 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 1zts h ASP 29 CO -0.18 0.69 -0.03 0.40 -2.88 0.00 0.00 179.24 177.24 1zts h ILE 30 N 0.31 1.27 0.00 2.25 2.04 -1.20 -1.54 117.51 120.63 1zts h ILE 30 Ca 0.04 -1.10 -0.06 0.00 1.00 0.00 0.00 64.86 64.73 1zts h ILE 30 Cb 0.75 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1zts h ILE 30 CO 0.06 0.38 -0.30 -0.07 0.00 0.00 0.00 178.15 178.22 1zts h LEU 31 N 0.70 0.00 0.00 1.44 3.38 -0.99 -2.32 115.31 117.51 1zts h LEU 31 Ca 0.13 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1zts h LEU 31 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1zts h LEU 31 CO 0.03 0.30 -0.47 -0.08 0.09 0.00 0.00 178.44 178.31 1zts h GLU 32 N 0.00 0.00 -0.05 1.13 4.22 -1.19 -3.31 114.58 115.39 1zts h GLU 32 Ca -0.00 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.26 1zts h GLU 32 Cb 0.58 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.85 1zts h GLU 32 CO 0.04 0.46 -0.65 0.00 -2.18 0.00 0.00 179.01 176.68 1zts h ALA 33 N 1.54 0.14 -0.10 2.92 0.00 -0.76 -3.15 119.26 119.84 1zts h ALA 33 Ca -0.01 -0.57 0.03 0.00 0.00 0.00 0.00 54.91 54.36 1zts h ALA 33 Cb 1.36 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1zts h ALA 33 CO 0.06 0.44 0.21 0.00 0.00 0.00 0.00 179.25 179.96 1zts h THR 34 N 0.10 0.23 0.00 0.00 1.03 -1.54 0.16 112.91 112.89 1zts h THR 34 Ca -0.07 0.00 -0.12 0.00 -0.01 0.00 0.00 66.41 66.21 1zts h THR 34 Cb 1.33 0.81 -0.02 0.00 -1.07 0.00 0.00 68.15 69.20 1zts h THR 34 CO 0.13 0.00 -0.58 0.00 -0.01 0.00 0.00 175.52 175.06 1zts h ALA 35 N 1.68 0.92 0.00 0.00 0.00 -1.65 -2.40 119.26 117.82 1zts h ALA 35 Ca 0.05 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1zts h ALA 35 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1zts h ALA 35 CO -0.00 0.73 -0.00 0.22 0.00 0.00 0.00 179.25 180.20 1zts h ASP 36 N 0.00 -0.01 0.39 0.00 1.82 -0.79 -2.87 116.42 114.96 1zts h ASP 36 Ca -0.01 -0.82 -0.01 0.00 -0.39 0.00 0.00 57.03 55.80 1zts h ASP 36 Cb 1.11 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.12 1zts h ASP 36 CO 0.08 0.83 -0.24 0.40 -1.61 0.00 0.00 179.24 178.70 1zts h ILE 37 N -0.86 0.50 -0.72 2.25 2.04 -1.56 -2.35 117.51 116.81 1zts h ILE 37 Ca -0.00 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.99 1zts h ILE 37 Cb 0.83 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 1zts h ILE 37 CO 0.00 0.00 0.48 0.40 0.00 0.00 0.00 178.15 179.03 1zts h ILE 38 N -0.60 0.84 0.00 -0.67 2.04 -1.58 0.26 117.51 117.80 1zts h ILE 38 Ca -0.04 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1zts h ILE 38 Cb 0.50 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1zts h ILE 38 CO 0.04 0.08 -0.08 -0.07 0.00 0.00 0.00 178.15 178.13 1zts h LEU 39 N 0.45 0.00 0.06 1.44 3.38 -1.19 0.28 115.31 119.73 1zts h LEU 39 Ca 0.35 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.15 1zts h LEU 39 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1zts h LEU 39 CO -0.11 0.08 -0.86 0.11 0.09 0.00 0.00 178.44 177.74 1zts h LYS 40 N 0.00 0.12 0.00 1.13 1.57 -0.20 -3.33 116.57 115.85 1zts h LYS 40 Ca -0.00 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1zts h LYS 40 Cb 0.34 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1zts h LYS 40 CO 0.01 1.10 0.00 -0.39 -0.57 0.00 0.00 179.45 179.60 1zts h VAL 41 N -0.69 0.00 -1.30 0.50 -1.51 -1.26 -3.47 116.25 108.52 1zts h VAL 41 Ca -0.20 -0.50 -0.29 0.00 -1.23 0.00 0.00 66.70 64.49 1zts h VAL 41 Cb 1.40 1.42 -0.07 0.00 -2.13 0.00 0.00 31.29 31.91 1zts h VAL 41 CO -0.01 0.00 -0.31 0.61 -1.23 0.00 0.00 177.57 176.63 1zts n GLY 42 N 0.72 0.68 3.31 5.19 0.00 0.97 -3.38 105.19 112.68 1zts n GLY 42 Ca 0.04 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 1zts n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1zts s HIS 43 N -2.61 -0.53 0.00 1.61 3.76 -1.13 -5.02 115.29 111.38 1zts s HIS 43 Ca 0.00 1.22 0.00 0.00 -0.15 0.00 0.00 55.06 56.13 1zts s HIS 43 Cb 0.00 0.21 0.00 0.00 1.11 0.00 0.00 32.58 33.90 1zts s HIS 43 CO 0.00 -0.27 0.00 -0.40 -0.85 0.00 0.00 174.74 173.22 1zts n ASP 44 N 3.36 0.70 -3.19 1.40 5.68 -1.26 -4.67 116.55 118.57 1zts n ASP 44 Ca -0.17 -0.96 -0.22 0.00 -0.50 0.00 0.00 54.79 52.95 1zts n ASP 44 Cb 0.56 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.49 1zts n ASP 44 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1zts n PHE 45 N -0.62 -0.12 -0.03 2.11 3.01 -1.26 -4.95 117.46 115.59 1zts n PHE 45 Ca 0.00 -3.67 -0.14 0.00 1.01 0.00 0.00 57.45 54.66 1zts n PHE 45 Cb 0.00 -0.38 -0.11 0.00 -0.01 0.00 0.00 39.48 38.98 1zts n PHE 45 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1zts h SER 46 N 3.60 0.08 -1.45 4.37 0.87 -1.99 -3.44 113.55 115.58 1zts h SER 46 Ca 0.08 -0.67 -0.67 0.00 -1.23 0.00 0.00 61.79 59.31 1zts h SER 46 Cb 0.91 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1zts h SER 46 CO 0.48 0.73 1.25 0.47 -0.53 0.00 0.00 176.83 179.23 1zts n ASP 47 N -4.70 2.56 0.30 6.23 10.43 -1.26 -4.79 116.55 125.31 1zts n ASP 47 Ca -0.09 0.66 0.19 0.00 2.57 0.00 0.00 54.79 58.12 1zts n ASP 47 Cb 0.37 -1.28 1.00 0.00 1.84 0.00 0.00 41.12 43.05 1zts n ASP 47 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1zts h ALA 48 N 10.81 1.35 -0.62 2.24 0.00 -2.02 0.81 119.26 131.83 1zts h ALA 48 Ca -0.37 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.33 1zts h ALA 48 Cb 1.30 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.97 1zts h ALA 48 CO 0.99 -0.13 0.27 -0.85 0.00 0.00 0.00 179.25 179.53 1zts n GLU 49 N -3.36 2.95 -2.70 0.00 0.28 -1.26 -4.25 120.64 112.29 1zts n GLU 49 Ca -0.02 -2.39 -0.07 0.00 -0.16 0.00 0.00 57.16 54.52 1zts n GLU 49 Cb 0.19 -2.00 0.11 0.00 1.43 0.00 0.00 31.44 31.17 1zts n GLU 49 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1zts n TYR 50 N -0.18 -2.51 -3.44 -1.84 9.36 0.28 -5.04 117.16 113.80 1zts n TYR 50 Ca 0.35 -1.93 -0.27 0.00 3.32 0.00 0.00 57.90 59.36 1zts n TYR 50 Cb 1.21 1.61 -0.08 0.00 -0.63 0.00 0.00 39.34 41.45 1zts n TYR 50 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1zts n ILE 51 N -0.45 2.39 -2.25 2.97 5.41 -1.24 -4.75 119.36 121.43 1zts n ILE 51 Ca -0.02 -5.22 -0.41 0.00 1.00 0.00 0.00 62.75 58.10 1zts n ILE 51 Cb 0.82 -2.10 -0.03 0.00 -0.71 0.00 0.00 39.64 37.62 1zts n ILE 51 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1zts s PRO 52 N -2.45 4.46 -0.53 0.38 0.04 -1.26 -5.01 135.00 130.63 1zts s PRO 52 Ca 0.39 2.06 0.05 0.00 0.04 0.00 0.00 61.00 63.54 1zts s PRO 52 Cb 0.14 -3.12 0.20 0.00 0.04 0.00 0.00 34.50 31.76 1zts s PRO 52 CO -0.02 -0.05 0.49 1.28 0.04 0.00 0.00 177.00 178.74 1zts n LEU 53 N 1.09 1.34 0.00 -3.56 4.32 -1.26 -5.02 117.00 113.91 1zts n LEU 53 Ca 0.00 -4.85 -0.01 0.00 -0.02 0.00 0.00 56.01 51.13 1zts n LEU 53 Cb 0.43 -0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.23 1zts n LEU 53 CO 0.57 1.91 0.01 -0.81 -1.22 0.00 0.00 177.39 177.85 1zts n PRO 54 N 1.97 -1.06 0.15 3.23 -0.04 -1.26 -4.74 135.00 133.24 1zts n PRO 54 Ca 0.25 -0.03 0.03 0.00 -0.04 0.00 0.00 63.50 63.71 1zts n PRO 54 Cb 0.44 -0.03 0.10 0.00 -0.04 0.00 0.00 33.50 33.97 1zts n PRO 54 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1zts h GLU 55 N 0.00 0.00 -0.01 0.54 4.81 -1.99 -2.78 114.58 115.15 1zts h GLU 55 Ca -0.01 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1zts h GLU 55 Cb 0.03 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.41 1zts h GLU 55 CO 0.01 0.50 -0.30 1.79 -0.73 0.00 0.00 179.01 180.27 1zts h THR 56 N 0.00 1.51 0.43 0.32 1.35 -1.92 -2.80 112.91 111.80 1zts h THR 56 Ca -0.01 -1.93 -0.02 0.00 -0.55 0.00 0.00 66.41 63.90 1zts h THR 56 Cb 1.28 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 70.39 1zts h THR 56 CO 0.07 0.54 -0.21 0.58 -0.25 0.00 0.00 175.52 176.24 1zts h VAL 57 N -0.41 0.54 -0.99 6.82 2.07 -1.84 0.25 116.25 122.69 1zts h VAL 57 Ca -0.04 -0.37 0.18 0.00 0.82 0.00 0.00 66.70 67.29 1zts h VAL 57 Cb 1.04 0.70 -0.10 0.00 -1.52 0.00 0.00 31.29 31.41 1zts h VAL 57 CO 0.06 0.06 0.59 0.03 0.02 0.00 0.00 177.57 178.33 1zts h ARG 58 N -0.81 0.75 0.04 1.57 3.08 -1.64 0.76 114.38 118.14 1zts h ARG 58 Ca -0.06 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1zts h ARG 58 Cb 0.55 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1zts h ARG 58 CO 0.10 0.50 -0.02 1.25 -1.07 0.00 0.00 179.97 180.72 1zts h LEU 59 N 0.77 -0.04 -0.79 3.04 5.85 -1.39 -1.37 115.31 121.38 1zts h LEU 59 Ca 0.56 -0.57 0.14 0.00 0.84 0.00 0.00 57.88 58.85 1zts h LEU 59 Cb 0.83 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.78 1zts h LEU 59 CO -0.37 0.57 0.37 0.00 -0.34 0.00 0.00 178.44 178.67 1zts h ALA 60 N 0.20 1.15 -0.21 1.25 0.00 0.18 0.25 119.26 122.09 1zts h ALA 60 Ca -0.01 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1zts h ALA 60 Cb 0.61 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1zts h ALA 60 CO 0.01 -0.14 -0.33 1.25 0.00 0.00 0.00 179.25 180.04 1zts h LEU 61 N 0.54 0.65 -0.95 0.00 7.12 -0.92 -2.56 115.31 119.18 1zts h LEU 61 Ca 0.43 -0.53 0.07 0.00 0.13 0.00 0.00 57.88 57.98 1zts h LEU 61 Cb 0.61 -0.18 -0.07 0.00 -0.53 0.00 0.00 40.66 40.49 1zts h LEU 61 CO -0.37 1.05 0.60 -0.07 -0.13 0.00 0.00 178.44 179.52 1zts h LEU 62 N 0.27 0.95 -0.35 2.25 3.38 -0.27 0.20 115.31 121.74 1zts h LEU 62 Ca 0.02 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1zts h LEU 62 Cb 0.92 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1zts h LEU 62 CO 0.08 0.59 -0.09 0.11 0.09 0.00 0.00 178.44 179.21 1zts h LYS 63 N 1.08 0.69 -0.38 1.13 1.57 -0.96 -2.45 116.57 117.24 1zts h LYS 63 Ca 0.42 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 1zts h LYS 63 Cb 0.21 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1zts h LYS 63 CO -0.19 0.85 0.05 -0.07 -0.57 0.00 0.00 179.45 179.52 1zts h LEU 64 N 0.48 0.62 -0.70 2.94 3.38 -0.95 -2.01 115.31 119.06 1zts h LEU 64 Ca 0.09 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.84 1zts h LEU 64 Cb 0.60 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1zts h LEU 64 CO 0.04 0.74 0.41 0.28 0.09 0.00 0.00 178.44 179.99 1zts h SER 65 N 0.48 0.63 -0.61 -0.43 0.02 -0.59 -1.90 113.55 111.15 1zts h SER 65 Ca 0.11 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 1zts h SER 65 Cb 0.39 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1zts h SER 65 CO 0.01 0.41 0.05 -0.61 -1.14 0.00 0.00 176.83 175.55 1zts h GLN 66 N 0.76 1.06 0.50 3.45 4.15 -1.30 0.23 115.11 123.96 1zts h GLN 66 Ca 0.30 -0.30 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1zts h GLN 66 Cb 0.15 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 1zts h GLN 66 CO -0.16 1.00 -0.37 0.35 -1.93 0.00 0.00 178.83 177.72 1zts h PHE 67 N 0.98 -0.98 0.13 3.99 3.04 -0.62 0.67 116.94 124.16 1zts h PHE 67 Ca 0.18 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.13 1zts h PHE 67 Cb 0.49 0.36 0.00 0.00 2.56 0.00 0.00 35.95 39.36 1zts h PHE 67 CO 0.03 -0.54 -0.06 1.88 -2.02 0.00 0.00 178.31 177.61 1zts h TYR 68 N -0.85 -0.16 -0.60 0.41 -1.99 -1.37 -2.52 116.97 109.89 1zts h TYR 68 Ca -0.05 -0.00 0.18 0.00 2.00 0.00 0.00 58.73 60.85 1zts h TYR 68 Cb 0.71 0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.47 1zts h TYR 68 CO -0.14 0.10 0.49 0.00 -0.00 0.00 0.00 178.16 178.60 1zts h ALA 69 N 0.44 2.48 -0.04 3.88 0.00 -0.92 0.23 119.26 125.34 1zts h ALA 69 Ca -0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1zts h ALA 69 Cb 0.32 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1zts h ALA 69 CO 0.03 -0.80 -0.19 1.25 0.00 0.00 0.00 179.25 179.54 1zts h LEU 70 N 0.00 0.23 -3.19 0.00 5.85 -0.51 -3.22 115.31 114.46 1zts h LEU 70 Ca 0.29 -0.67 -0.17 0.00 0.84 0.00 0.00 57.88 58.16 1zts h LEU 70 Cb 1.26 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 42.11 1zts h LEU 70 CO -0.00 0.86 0.22 2.30 -0.34 0.00 0.00 178.44 181.48 1zts n ILE 71 N -4.56 2.35 0.01 4.05 -5.35 -0.36 -3.72 119.36 111.78 1zts n ILE 71 Ca -0.09 -1.23 -0.10 0.00 -0.27 0.00 0.00 62.75 61.07 1zts n ILE 71 Cb 0.44 -0.45 -0.14 0.00 -1.74 0.00 0.00 39.64 37.75 1zts n ILE 71 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 1zts h ASN 72 N 2.01 0.07 0.00 7.28 -0.73 -0.62 -3.43 115.58 120.15 1zts h ASN 72 Ca 0.22 -0.11 -0.13 0.00 1.87 0.00 0.00 56.30 58.15 1zts h ASN 72 Cb 1.98 -0.02 -0.10 0.00 0.27 0.00 0.00 38.32 40.44 1zts h ASN 72 CO 0.58 1.10 -0.13 0.61 -0.37 0.00 0.00 177.43 179.21 1zts n GLY 73 N 1.54 0.62 0.00 1.57 0.00 -1.26 -5.05 105.19 102.60 1zts n GLY 73 Ca -0.13 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1zts n GLY 73 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zts n ASP 74 N -0.77 0.00 0.03 1.61 -0.08 -1.24 -4.93 116.55 111.16 1zts n ASP 74 Ca -0.12 0.74 0.00 0.00 -1.51 0.00 0.00 54.79 53.90 1zts n ASP 74 Cb 0.74 -0.24 0.00 0.00 2.34 0.00 0.00 41.12 43.95 1zts n ASP 74 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1zts n GLU 75 N -1.53 0.00 -3.19 -0.67 1.02 -1.26 -5.03 120.64 109.98 1zts n GLU 75 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 1zts n GLU 75 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 1zts n GLU 75 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1zts n SER 76 N -2.63 0.91 -4.67 1.62 2.88 -1.26 -5.09 113.62 105.38 1zts n SER 76 Ca 0.00 -2.94 -0.39 0.00 -1.33 0.00 0.00 58.87 54.21 1zts n SER 76 Cb 0.00 -0.63 -0.07 0.00 -0.75 0.00 0.00 64.21 62.76 1zts n SER 76 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1zts s ILE 77 N -2.07 5.15 -0.10 2.46 1.01 -1.26 -4.83 121.20 121.56 1zts s ILE 77 Ca 0.39 0.85 0.03 0.00 0.00 0.00 0.00 60.65 61.91 1zts s ILE 77 Cb 0.27 -3.79 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 1zts s ILE 77 CO -0.09 0.21 -0.18 -0.63 0.00 0.00 0.00 174.94 174.25 1zts s ILE 78 N 1.46 2.64 -0.21 2.92 1.01 -1.26 -5.00 121.20 122.77 1zts s ILE 78 Ca 0.22 -0.83 0.15 0.00 0.00 0.00 0.00 60.65 60.19 1zts s ILE 78 Cb -0.15 -2.05 0.35 0.00 0.01 0.00 0.00 42.46 40.62 1zts s ILE 78 CO 0.09 0.55 1.25 0.29 0.00 0.00 0.00 174.94 177.12 1zts n LYS 79 N 3.23 2.24 0.00 2.79 4.01 -1.26 -3.92 118.16 125.24 1zts n LYS 79 Ca -0.18 -2.51 0.00 0.00 -0.51 0.00 0.00 58.31 55.11 1zts n LYS 79 Cb 0.53 -1.55 0.00 0.00 -0.51 0.00 0.00 35.03 33.49 1zts n LYS 79 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1zts n GLY 80 N -0.80 1.48 3.26 0.72 0.00 -1.26 -4.86 105.19 103.73 1zts n GLY 80 Ca 0.16 0.35 -0.32 0.00 0.00 0.00 0.00 46.02 46.21 1zts n GLY 80 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1zts n TYR 81 N 0.00 -1.43 -1.55 1.61 0.18 -1.26 -4.97 117.16 109.74 1zts n TYR 81 Ca 0.00 0.14 -0.29 0.00 1.88 0.00 0.00 57.90 59.63 1zts n TYR 81 Cb 0.00 -1.55 0.14 0.00 -0.38 0.00 0.00 39.34 37.55 1zts n TYR 81 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 1zts s THR 82 N -2.22 1.98 0.00 -3.48 -4.23 -1.26 -4.89 115.64 101.54 1zts s THR 82 Ca 0.55 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 1zts s THR 82 Cb -0.11 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 70.97 1zts s THR 82 CO 0.65 0.00 0.00 1.07 -0.54 0.00 0.00 174.62 175.80 1zts n THR 83 N -3.79 0.00 -0.68 3.99 5.66 -1.26 -4.59 114.28 113.60 1zts n THR 83 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1zts n THR 83 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 1zts n THR 83 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1zts n GLU 84 N -0.18 0.94 -3.90 1.09 2.13 -1.26 -4.93 120.64 114.54 1zts n GLU 84 Ca 0.00 -0.81 -0.30 0.00 0.66 0.00 0.00 57.16 56.71 1zts n GLU 84 Cb 0.00 -0.66 -0.12 0.00 0.27 0.00 0.00 31.44 30.92 1zts n GLU 84 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1zts s LYS 85 N -0.32 2.32 -0.01 5.31 -0.14 -1.26 -4.84 119.74 120.81 1zts s LYS 85 Ca 0.00 -3.02 0.16 0.00 -1.36 0.00 0.00 55.97 51.75 1zts s LYS 85 Cb 0.00 -3.43 -0.19 0.00 -1.68 0.00 0.00 37.83 32.53 1zts s LYS 85 CO 0.00 -1.21 0.59 -0.89 -0.76 0.00 0.00 175.35 173.08 1zts n ILE 86 N 2.51 0.00 0.00 2.17 2.08 -1.26 -4.99 119.36 119.87 1zts n ILE 86 Ca 0.13 -0.19 0.00 0.00 0.56 0.00 0.00 62.75 63.25 1zts n ILE 86 Cb 0.34 0.76 0.00 0.00 -0.75 0.00 0.00 39.64 39.99 1zts n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1zts n GLY 87 N 1.43 2.99 0.00 7.39 0.00 -1.26 -5.03 105.19 110.70 1zts n GLY 87 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1zts n GLY 87 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zts n ASP 88 N 0.00 1.81 -4.56 1.61 8.00 -1.26 -5.04 116.55 117.11 1zts n ASP 88 Ca 0.00 -0.99 -0.34 0.00 0.71 0.00 0.00 54.79 54.18 1zts n ASP 88 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 1zts n ASP 88 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1zts s TYR 89 N -1.07 2.89 -0.35 1.24 -0.85 -1.26 -5.03 117.35 112.93 1zts s TYR 89 Ca 0.00 -0.03 0.01 0.00 -0.52 0.00 0.00 57.07 56.53 1zts s TYR 89 Cb 0.00 -1.70 0.29 0.00 0.38 0.00 0.00 41.96 40.93 1zts s TYR 89 CO 0.00 0.29 1.24 0.43 -1.52 0.00 0.00 175.55 175.99 1zts n SER 90 N 2.28 -1.51 -4.57 -0.18 7.64 -1.26 -5.17 113.62 110.86 1zts n SER 90 Ca -0.18 -2.08 -0.23 0.00 1.01 0.00 0.00 58.87 57.39 1zts n SER 90 Cb 0.53 1.03 -0.09 0.00 -1.01 0.00 0.00 64.21 64.67 1zts n SER 90 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1zts s TYR 91 N 0.16 2.51 -0.17 1.43 1.51 -1.26 -4.38 117.35 117.15 1zts s TYR 91 Ca 0.25 -0.28 -0.04 0.00 -1.01 0.00 0.00 57.07 55.99 1zts s TYR 91 Cb 0.24 -1.11 0.08 0.00 -0.11 0.00 0.00 41.96 41.06 1zts s TYR 91 CO -0.13 0.66 0.20 0.99 -1.11 0.00 0.00 175.55 176.16 1zts s THR 92 N -2.41 -0.30 0.66 -0.71 2.01 -1.25 -4.55 115.64 109.08 1zts s THR 92 Ca 0.31 0.01 -0.13 0.00 0.31 0.00 0.00 61.69 62.18 1zts s THR 92 Cb -0.06 -0.58 -0.01 0.00 0.01 0.00 0.00 72.50 71.87 1zts s THR 92 CO 0.18 -0.12 1.07 -0.76 -0.69 0.00 0.00 174.62 174.30 1zts s LEU 93 N 2.31 3.31 0.18 4.42 1.43 -1.06 -4.36 118.68 124.91 1zts s LEU 93 Ca 0.05 1.77 -0.15 0.00 -1.03 0.00 0.00 54.13 54.77 1zts s LEU 93 Cb -0.15 -4.52 0.16 0.00 0.03 0.00 0.00 46.19 41.71 1zts s LEU 93 CO -0.10 -1.41 1.68 1.23 0.23 0.00 0.00 176.35 177.98 1zts h GLY 94 N -0.18 0.45 1.32 -3.19 0.00 -1.91 0.14 103.07 99.70 1zts h GLY 94 Ca -0.45 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.02 1zts h GLY 94 CO 0.56 -0.13 0.27 -0.55 0.00 0.00 0.00 176.54 176.69 1zts h ASP 95 N 0.09 0.00 0.00 0.19 3.32 -2.02 -3.44 116.42 114.56 1zts h ASP 95 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1zts h ASP 95 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1zts h ASP 95 CO -0.40 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.73 1zts n GLY 96 N -1.44 1.20 3.84 2.75 0.00 0.47 -5.10 105.19 106.91 1zts n GLY 96 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1zts n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zts s SER 97 N -2.00 6.87 -1.15 1.61 1.04 -1.25 -4.87 113.70 113.95 1zts s SER 97 Ca 0.00 1.15 -0.09 0.00 0.48 0.00 0.00 55.95 57.49 1zts s SER 97 Cb 0.00 -2.32 0.25 0.00 0.10 0.00 0.00 66.02 64.06 1zts s SER 97 CO 0.00 0.07 1.34 -1.20 0.98 0.00 0.00 173.24 174.43 1zts n SER 98 N 0.72 5.62 -4.46 7.02 7.64 -1.26 -2.57 113.62 126.32 1zts n SER 98 Ca -0.04 -3.11 -0.50 0.00 1.01 0.00 0.00 58.87 56.23 1zts n SER 98 Cb 0.52 -1.41 -0.07 0.00 -1.01 0.00 0.00 64.21 62.24 1zts n SER 98 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1zts n LEU 99 N 3.14 2.26 -4.84 -3.43 7.94 -1.26 -4.93 117.00 115.87 1zts n LEU 99 Ca 0.29 0.40 -0.31 0.00 -1.11 0.00 0.00 56.01 55.27 1zts n LEU 99 Cb 0.38 -1.29 -0.05 0.00 0.53 0.00 0.00 43.42 42.99 1zts n LEU 99 CO 0.59 -0.72 -0.21 -1.10 -1.11 0.00 0.00 177.39 174.84 1zts s GLN 100 N 6.19 3.16 0.96 1.96 -1.52 -1.26 -4.79 119.66 124.36 1zts s GLN 100 Ca 1.08 -0.54 -0.13 0.00 -1.95 0.00 0.00 55.36 53.82 1zts s GLN 100 Cb -0.80 -2.89 0.03 0.00 -0.22 0.00 0.00 33.01 29.12 1zts s GLN 100 CO 0.48 0.60 0.32 1.63 -0.25 0.00 0.00 175.29 178.07 1zts n LYS 101 N 0.51 -0.34 -2.26 2.91 5.02 -1.26 -4.91 118.16 117.83 1zts n LYS 101 Ca -0.08 -0.06 -0.40 0.00 -2.02 0.00 0.00 58.31 55.75 1zts n LYS 101 Cb 0.52 -1.81 -0.02 0.00 -0.02 0.00 0.00 35.03 33.70 1zts n LYS 101 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1zts s PRO 102 N -3.55 4.30 -1.15 1.97 0.04 -1.26 -4.91 135.00 130.45 1zts s PRO 102 Ca 0.56 1.99 -0.18 0.00 0.04 0.00 0.00 61.00 63.41 1zts s PRO 102 Cb -0.20 -2.95 -0.05 0.00 0.04 0.00 0.00 34.50 31.34 1zts s PRO 102 CO 0.68 -0.15 2.08 -0.25 0.04 0.00 0.00 177.00 179.40 1zts n ASP 103 N 0.61 3.28 -1.80 6.66 8.00 -1.26 -4.63 116.55 127.41 1zts n ASP 103 Ca 0.01 -2.77 -0.08 0.00 0.71 0.00 0.00 54.79 52.66 1zts n ASP 103 Cb 0.44 -1.42 0.22 0.00 -0.02 0.00 0.00 41.12 40.34 1zts n ASP 103 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1zts n VAL 104 N 5.56 2.48 0.08 2.53 0.24 -1.26 -4.45 118.33 123.50 1zts n VAL 104 Ca 0.51 -1.32 -0.12 0.00 -2.04 0.00 0.00 64.34 61.36 1zts n VAL 104 Cb 0.40 -0.47 -0.08 0.00 -1.47 0.00 0.00 33.84 32.21 1zts n VAL 104 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1zts h TYR 105 N 1.81 -0.21 0.00 6.34 5.03 -2.00 -2.85 116.97 125.09 1zts h TYR 105 Ca 0.28 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.56 1zts h TYR 105 Cb 2.11 0.07 -0.00 0.00 1.55 0.00 0.00 36.73 40.46 1zts h TYR 105 CO 1.08 0.18 -0.10 0.00 -1.32 0.00 0.00 178.16 177.99 1zts h ALA 106 N 0.02 1.31 -0.21 1.82 0.00 -2.00 -1.88 119.26 118.32 1zts h ALA 106 Ca -0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1zts h ALA 106 Cb 0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1zts h ALA 106 CO 0.04 0.13 -0.03 -0.07 0.00 0.00 0.00 179.25 179.32 1zts h LEU 107 N 0.00 0.39 -0.02 0.00 3.38 -1.82 -2.86 115.31 114.37 1zts h LEU 107 Ca -0.00 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1zts h LEU 107 Cb 0.30 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1zts h LEU 107 CO 0.01 0.64 0.00 2.30 0.09 0.00 0.00 178.44 181.48 1zts n ILE 108 N -4.64 0.36 0.26 1.22 -5.35 -1.04 -3.49 119.36 106.68 1zts n ILE 108 Ca -0.04 -0.13 0.18 0.00 -0.27 0.00 0.00 62.75 62.48 1zts n ILE 108 Cb 0.26 -0.58 0.86 0.00 -1.74 0.00 0.00 39.64 38.44 1zts n ILE 108 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1zts h LYS 109 N 0.00 0.00 0.00 6.28 1.63 -1.11 0.30 116.57 123.67 1zts h LYS 109 Ca 0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1zts h LYS 109 Cb 0.61 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.24 1zts h LYS 109 CO 0.00 0.00 -0.02 -0.44 -3.45 0.00 0.00 179.45 175.54 1zts h ASP 110 N 0.00 0.00 -0.08 4.20 5.19 -1.71 -3.15 116.42 120.87 1zts h ASP 110 Ca 0.06 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.29 1zts h ASP 110 Cb 0.64 0.00 -0.32 0.00 0.18 0.00 0.00 39.33 39.83 1zts h ASP 110 CO -0.00 0.02 -0.83 0.00 -3.12 0.00 0.00 179.24 175.31 1zts n TYR 111 N -3.20 0.07 -2.85 4.55 4.11 0.87 -5.07 117.16 115.63 1zts n TYR 111 Ca -0.01 -0.89 -0.43 0.00 -0.00 0.00 0.00 57.90 56.56 1zts n TYR 111 Cb 0.19 0.11 -0.04 0.00 -0.00 0.00 0.00 39.34 39.60 1zts n TYR 111 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1zts s VAL 112 N -0.68 4.41 -0.38 -3.48 1.01 -0.11 -4.50 120.40 116.67 1zts s VAL 112 Ca 0.23 0.26 -0.20 0.00 0.00 0.00 0.00 61.98 62.27 1zts s VAL 112 Cb 0.30 -4.53 0.03 0.00 0.00 0.00 0.00 36.38 32.17 1zts s VAL 112 CO -0.11 -1.10 0.48 1.17 0.00 0.00 0.00 175.10 175.55 1zts n LYS 113 N 7.41 -2.19 -0.63 2.72 4.81 -1.22 -4.99 118.16 124.07 1zts n LYS 113 Ca 0.01 1.87 -0.18 0.00 -0.87 0.00 0.00 58.31 59.14 1zts n LYS 113 Cb 0.47 -4.01 0.15 0.00 0.02 0.00 0.00 35.03 31.66 1zts n LYS 113 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1zts n PRO 114 N 0.04 -2.33 -2.73 1.64 -0.04 -1.26 -5.01 135.00 125.31 1zts n PRO 114 Ca 0.02 -1.07 -0.24 0.00 -0.04 0.00 0.00 63.50 62.18 1zts n PRO 114 Cb 0.47 -1.00 -0.01 0.00 -0.04 0.00 0.00 33.50 32.92 1zts n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1zts n ALA 115 N -4.15 4.46 -2.44 0.55 0.00 -1.26 -5.06 120.51 112.61 1zts n ALA 115 Ca -0.13 -4.24 -0.24 0.00 0.00 0.00 0.00 53.44 48.84 1zts n ALA 115 Cb 0.36 -0.69 -0.11 0.00 0.00 0.00 0.00 19.45 19.01 1zts n ALA 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1zts s ASP 116 N -3.37 3.08 0.43 0.00 -0.00 -1.26 -5.15 116.67 110.41 1zts s ASP 116 Ca 0.45 -0.88 0.00 0.00 -0.00 0.00 0.00 52.55 52.12 1zts s ASP 116 Cb 0.36 -0.21 0.00 0.00 -0.00 0.00 0.00 42.92 43.07 1zts s ASP 116 CO -0.14 0.04 0.00 -0.81 -0.00 0.00 0.00 175.17 174.26 1zts n PRO 117 N 0.20 0.12 -0.50 8.23 -0.04 -1.26 -4.89 135.00 136.87 1zts n PRO 117 Ca -0.12 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.30 1zts n PRO 117 Cb 0.57 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.16 1zts n PRO 117 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1zts n ASP 118 N -1.30 3.29 0.15 3.54 -0.08 -1.26 -4.28 116.55 116.61 1zts n ASP 118 Ca 0.00 -2.60 0.12 0.00 -1.51 0.00 0.00 54.79 50.80 1zts n ASP 118 Cb 0.00 -0.62 0.56 0.00 2.34 0.00 0.00 41.12 43.40 1zts n ASP 118 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1zts n LEU 119 N 0.00 0.63 0.00 -2.67 -0.00 -1.26 -4.66 117.00 109.04 1zts n LEU 119 Ca 0.21 0.73 0.00 0.00 -0.00 0.00 0.00 56.01 56.95 1zts n LEU 119 Cb 0.88 -0.73 0.00 0.00 -0.00 0.00 0.00 43.42 43.57 1zts n LEU 119 CO 0.22 -0.80 0.00 1.21 -0.00 0.00 0.00 177.39 178.02 1zts n GLU 120 N -2.28 -1.58 -1.50 1.47 2.13 -1.26 -4.66 120.64 112.95 1zts n GLU 120 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 1zts n GLU 120 Cb 0.12 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.75 1zts n GLU 120 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1zts n GLY 121 N 0.00 0.03 3.84 8.31 0.00 -1.26 -4.91 105.19 111.20 1zts n GLY 121 Ca 0.00 0.90 -0.35 0.00 0.00 0.00 0.00 46.02 46.58 1zts n GLY 121 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zts s ILE 122 N 9.83 5.17 -1.31 -0.61 1.01 -1.26 -4.28 121.20 129.74 1zts s ILE 122 Ca 1.14 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.67 1zts s ILE 122 Cb -0.73 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1zts s ILE 122 CO 0.40 0.45 0.00 -0.62 0.00 0.00 0.00 174.94 175.17 1zts n GLU 123 N 1.45 -1.39 -0.12 2.79 -0.58 -1.26 -4.83 120.64 116.70 1zts n GLU 123 Ca -0.15 0.91 -0.25 0.00 -0.42 0.00 0.00 57.16 57.26 1zts n GLU 123 Cb 0.53 -5.18 -0.11 0.00 -0.57 0.00 0.00 31.44 26.11 1zts n GLU 123 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1zts n ALA 124 N 1.23 1.15 0.09 0.62 0.00 -1.26 -4.13 120.51 118.21 1zts n ALA 124 Ca -0.12 -0.94 -0.08 0.00 0.00 0.00 0.00 53.44 52.30 1zts n ALA 124 Cb 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1zts n ALA 124 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1zts h LYS 125 N -0.65 0.17 -0.18 0.00 3.64 -1.88 -3.17 116.57 114.50 1zts h LYS 125 Ca -0.58 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 58.59 1zts h LYS 125 Cb 1.67 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.53 1zts h LYS 125 CO -0.26 0.92 0.00 0.28 -2.27 0.00 0.00 179.45 178.13 1zts h VAL 126 N 0.10 1.12 0.00 2.00 2.07 -1.96 0.26 116.25 119.84 1zts h VAL 126 Ca -0.04 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 1zts h VAL 126 Cb 1.47 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1zts h VAL 126 CO 0.13 0.15 -0.45 0.03 0.02 0.00 0.00 177.57 177.45 1zts h ARG 127 N 0.26 0.00 0.02 1.57 3.08 -1.70 0.07 114.38 117.68 1zts h ARG 127 Ca 0.06 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.82 1zts h ARG 127 Cb 0.17 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 1zts h ARG 127 CO 0.00 0.45 -1.67 0.52 -1.07 0.00 0.00 179.97 178.20 1zts h MET 128 N 0.00 0.04 0.00 0.04 2.86 -1.30 -3.34 114.93 113.22 1zts h MET 128 Ca -0.00 -0.06 -0.15 0.00 -2.06 0.00 0.00 59.70 57.42 1zts h MET 128 Cb 1.11 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.77 1zts h MET 128 CO 0.06 0.63 -0.96 -0.09 1.06 0.00 0.00 176.91 177.60 1zts h ARG 129 N 0.01 0.00 -1.15 1.72 2.43 -0.52 -3.32 114.38 113.54 1zts h ARG 129 Ca -0.28 0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.21 1zts h ARG 129 Cb 2.00 0.00 -0.30 0.00 -0.42 0.00 0.00 29.97 31.24 1zts h ARG 129 CO 0.09 0.48 0.71 0.45 -1.51 0.00 0.00 179.97 180.18 1zts n SER 130 N -3.10 7.34 -4.27 -3.80 2.88 0.01 -4.95 113.62 107.73 1zts n SER 130 Ca -0.03 -3.79 -0.22 0.00 -1.33 0.00 0.00 58.87 53.49 1zts n SER 130 Cb 0.81 -0.92 -0.12 0.00 -0.75 0.00 0.00 64.21 63.23 1zts n SER 130 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1zts s ILE 131 N -4.87 1.59 0.00 2.46 2.07 -1.25 -4.91 121.20 116.29 1zts s ILE 131 Ca 0.61 -1.56 0.00 0.00 -1.41 0.00 0.00 60.65 58.29 1zts s ILE 131 Cb 0.49 -1.50 0.00 0.00 0.13 0.00 0.00 42.46 41.57 1zts s ILE 131 CO -0.08 -0.15 0.11 0.18 -1.91 0.00 0.00 174.94 173.10 1zts n LEU 132 N 0.99 1.14 0.00 8.50 4.77 -1.26 -4.87 117.00 126.26 1zts n LEU 132 Ca -0.19 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1zts n LEU 132 Cb 0.54 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1zts n LEU 132 CO 0.23 -0.28 0.00 1.21 -1.33 0.00 0.00 177.39 177.22 1zts n GLU 133 N -1.33 0.00 -3.88 3.23 2.13 -1.26 -4.73 120.64 114.80 1zts n GLU 133 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1zts n GLU 133 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 1zts n GLU 133 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1zts s HIS 134 N 0.00 0.01 -0.27 4.31 3.76 -1.26 -5.14 115.29 116.70 1zts s HIS 134 Ca 0.00 -0.09 -0.02 0.00 -0.15 0.00 0.00 55.06 54.80 1zts s HIS 134 Cb 0.00 0.54 0.09 0.00 1.11 0.00 0.00 32.58 34.32 1zts s HIS 134 CO 0.00 -0.20 0.09 -1.58 -0.85 0.00 0.00 174.74 172.20 1zts s HIS 135 N -2.09 1.12 -0.01 1.40 2.46 -1.26 -4.93 115.29 111.97 1zts s HIS 135 Ca 0.26 -1.22 0.02 0.00 0.47 0.00 0.00 55.06 54.59 1zts s HIS 135 Cb 0.01 -1.28 0.04 0.00 -0.13 0.00 0.00 32.58 31.23 1zts s HIS 135 CO -0.02 -0.78 1.03 -2.39 -2.47 0.00 0.00 174.74 170.11 1zts n HIS 136 N 5.02 -0.05 -4.24 3.88 1.44 -1.26 -5.13 115.22 114.88 1zts n HIS 136 Ca -0.05 -0.53 -0.19 0.00 -2.01 0.00 0.00 57.72 54.93 1zts n HIS 136 Cb 0.44 0.48 -0.12 0.00 0.12 0.00 0.00 29.99 30.91 1zts n HIS 136 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 1zts s HIS 137 N -0.00 1.46 0.00 -1.40 -0.00 -1.26 -5.10 115.29 108.99 1zts s HIS 137 Ca 0.03 -0.50 0.00 0.00 -0.00 0.00 0.00 55.06 54.58 1zts s HIS 137 Cb 0.04 -0.78 0.00 0.00 -0.00 0.00 0.00 32.58 31.84 1zts s HIS 137 CO -0.02 0.15 0.00 0.72 -0.00 0.00 0.00 174.74 175.60 1zts n HIS 138 N 0.77 0.00 0.35 0.38 8.25 -1.26 -5.27 115.22 118.43 1zts n HIS 138 Ca -0.17 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.33 1zts n HIS 138 Cb 0.56 -0.19 0.03 0.00 1.12 0.00 0.00 29.99 31.51 1zts n HIS 138 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56