#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 0.00 -0.89 0.00 -1.26 -4.95 117.00 109.90 1zts n LEU 2 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 56.01 56.99 1zts n LEU 2 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 43.42 42.94 1zts n LEU 2 CO 0.00 -0.48 0.00 -0.11 0.00 0.00 0.00 177.39 176.80 1zts n LEU 3 N -2.14 0.00 -4.75 -1.96 7.94 -1.26 -5.15 117.00 109.67 1zts n LEU 3 Ca 0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.61 1zts n LEU 3 Cb 0.00 0.00 0.13 0.00 0.53 0.00 0.00 43.42 44.08 1zts n LEU 3 CO 0.00 0.00 0.69 0.27 -1.11 0.00 0.00 177.39 177.24 1zts s ILE 4 N 0.00 2.42 0.28 1.96 -4.36 -1.26 -5.08 121.20 115.17 1zts s ILE 4 Ca 0.00 0.14 0.09 0.00 -0.26 0.00 0.00 60.65 60.62 1zts s ILE 4 Cb 0.00 -2.77 -0.04 0.00 1.25 0.00 0.00 42.46 40.89 1zts s ILE 4 CO 0.00 -0.18 0.01 0.42 0.24 0.00 0.00 174.94 175.43 1zts s THR 5 N -3.11 3.28 0.29 8.37 -4.23 -1.26 -4.71 115.64 114.28 1zts s THR 5 Ca 0.63 -1.91 0.16 0.00 -1.18 0.00 0.00 61.69 59.39 1zts s THR 5 Cb -0.16 -2.83 0.10 0.00 1.34 0.00 0.00 72.50 70.95 1zts s THR 5 CO 0.55 -0.34 1.78 1.55 -0.54 0.00 0.00 174.62 177.62 1zts h PRO 6 N 1.85 0.00 -0.03 3.99 0.13 -1.89 -2.89 132.00 133.17 1zts h PRO 6 Ca -0.44 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.58 1zts h PRO 6 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1zts h PRO 6 CO 0.61 0.40 -0.49 0.22 -0.23 0.00 0.00 178.00 178.51 1zts h ASP 7 N 0.00 0.08 0.26 1.44 1.82 -1.94 -3.00 116.42 115.08 1zts h ASP 7 Ca -0.00 -0.04 -0.19 0.00 -0.39 0.00 0.00 57.03 56.41 1zts h ASP 7 Cb 0.79 -0.02 -0.00 0.00 0.68 0.00 0.00 39.33 40.78 1zts h ASP 7 CO 0.05 0.56 -0.74 -0.08 -1.61 0.00 0.00 179.24 177.43 1zts h GLU 8 N 0.06 0.41 -0.45 0.28 4.22 -1.93 -2.76 114.58 114.41 1zts h GLU 8 Ca -0.00 -0.34 0.07 0.00 0.08 0.00 0.00 59.36 59.17 1zts h GLU 8 Cb 0.90 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.16 1zts h GLU 8 CO 0.07 0.98 0.08 1.25 -2.18 0.00 0.00 179.01 179.21 1zts h LEU 9 N 0.28 -0.01 -0.57 1.64 5.85 -1.45 -1.58 115.31 119.47 1zts h LEU 9 Ca -0.03 0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.61 1zts h LEU 9 Cb 1.32 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 1zts h LEU 9 CO 0.13 0.03 -0.54 0.07 -0.34 0.00 0.00 178.44 177.78 1zts h LYS 10 N 0.21 0.50 -0.79 1.25 2.10 -1.59 0.29 116.57 118.55 1zts h LYS 10 Ca 0.22 -0.31 0.11 0.00 -2.00 0.00 0.00 60.65 58.68 1zts h LYS 10 Cb 0.29 0.03 -0.05 0.00 -0.90 0.00 0.00 32.23 31.60 1zts h LYS 10 CO -0.30 0.91 0.51 1.03 -2.00 0.00 0.00 179.45 179.61 1zts h SER 11 N 0.39 0.59 0.00 7.07 0.87 -1.01 -3.13 113.55 118.33 1zts h SER 11 Ca 0.01 0.02 -0.37 0.00 -1.23 0.00 0.00 61.79 60.22 1zts h SER 11 Cb 1.07 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.87 1zts h SER 11 CO 0.10 0.33 -2.05 0.00 -0.53 0.00 0.00 176.83 174.68 1zts n TYR 12 N -4.51 0.43 -1.63 2.24 4.19 -0.80 -4.95 117.16 112.14 1zts n TYR 12 Ca 0.14 0.17 -0.47 0.00 3.31 0.00 0.00 57.90 61.05 1zts n TYR 12 Cb 0.39 -1.04 -0.04 0.00 0.49 0.00 0.00 39.34 39.14 1zts n TYR 12 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1zts n SER 13 N -4.24 2.14 0.09 2.98 2.88 0.10 -4.88 113.62 112.69 1zts n SER 13 Ca -0.45 1.13 0.09 0.00 -1.33 0.00 0.00 58.87 58.32 1zts n SER 13 Cb 0.82 -1.32 -0.02 0.00 -0.75 0.00 0.00 64.21 62.94 1zts n SER 13 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1zts n VAL 14 N 1.98 0.71 -1.87 2.46 0.24 -1.26 -4.79 118.33 115.80 1zts n VAL 14 Ca 0.14 -0.57 -0.43 0.00 -2.04 0.00 0.00 64.34 61.44 1zts n VAL 14 Cb 0.27 -0.40 -0.03 0.00 -1.47 0.00 0.00 33.84 32.21 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 -3.29 1.66 0.66 6.34 0.08 -1.26 -4.84 117.98 117.33 1zts s PHE 15 Ca -0.01 0.24 0.42 0.00 0.12 0.00 0.00 56.93 57.70 1zts s PHE 15 Cb 0.09 -4.03 2.34 0.00 -0.57 0.00 0.00 43.02 40.85 1zts s PHE 15 CO 0.80 -3.99 2.35 1.05 -0.10 0.00 0.00 175.22 175.32 1zts h GLU 16 N 11.54 0.00 -0.38 0.44 4.11 -1.97 -1.84 114.58 126.48 1zts h GLU 16 Ca -0.40 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.98 1zts h GLU 16 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1zts h GLU 16 CO 0.97 0.00 0.04 0.77 0.07 0.00 0.00 179.01 180.86 1zts h SER 17 N 0.00 0.62 0.71 3.06 0.02 -1.93 -1.80 113.55 114.23 1zts h SER 17 Ca 0.00 -0.28 -0.16 0.00 -0.84 0.00 0.00 61.79 60.51 1zts h SER 17 Cb 0.03 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1zts h SER 17 CO -0.00 0.75 -0.76 0.58 -1.14 0.00 0.00 176.83 176.26 1zts h VAL 18 N 0.48 1.53 -0.00 2.27 2.07 -1.57 -2.92 116.25 118.10 1zts h VAL 18 Ca 0.11 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 65.07 1zts h VAL 18 Cb 0.41 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1zts h VAL 18 CO 0.01 0.73 -0.00 0.29 0.02 0.00 0.00 177.57 178.62 1zts n LYS 19 N -3.66 1.00 -0.13 1.57 5.02 -1.02 -2.93 118.16 118.02 1zts n LYS 19 Ca -0.01 -0.08 0.06 0.00 -2.02 0.00 0.00 58.31 56.25 1zts n LYS 19 Cb 0.74 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 34.37 1zts n LYS 19 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1zts n THR 20 N -0.93 0.71 -3.94 -0.18 -2.24 -0.69 -5.00 114.28 102.01 1zts n THR 20 Ca 0.23 -0.86 -0.28 0.00 -2.27 0.00 0.00 64.05 60.87 1zts n THR 20 Cb 0.14 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 1zts n THR 20 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1zts s ARG 21 N -0.98 3.41 0.99 -0.78 0.52 -1.15 -5.07 118.95 115.90 1zts s ARG 21 Ca 0.20 -0.56 -0.17 0.00 -0.52 0.00 0.00 55.73 54.68 1zts s ARG 21 Cb 0.11 -2.97 0.25 0.00 0.52 0.00 0.00 34.95 32.86 1zts s ARG 21 CO 0.15 0.55 0.88 -0.35 0.02 0.00 0.00 175.30 176.55 1zts n PRO 22 N -0.28 -2.74 0.08 3.54 -0.04 -1.26 -4.76 135.00 129.53 1zts n PRO 22 Ca -0.06 -1.41 -0.05 0.00 -0.04 0.00 0.00 63.50 61.93 1zts n PRO 22 Cb 0.53 -1.32 -0.07 0.00 -0.04 0.00 0.00 33.50 32.60 1zts n PRO 22 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1zts h ASP 23 N -2.40 0.00 0.48 3.54 5.19 -1.99 -1.71 116.42 119.54 1zts h ASP 23 Ca -0.33 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 55.92 1zts h ASP 23 Cb 1.01 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 1zts h ASP 23 CO 0.22 0.91 -0.69 -0.08 -3.12 0.00 0.00 179.24 176.47 1zts h GLU 24 N 0.00 0.18 0.01 3.56 4.81 -2.00 -2.84 114.58 118.30 1zts h GLU 24 Ca -0.01 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 58.98 1zts h GLU 24 Cb 1.65 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.04 1zts h GLU 24 CO 0.12 0.80 -0.49 -0.07 -0.73 0.00 0.00 179.01 178.64 1zts h LEU 25 N 0.13 0.02 -0.74 1.64 3.38 -1.93 -3.10 115.31 114.71 1zts h LEU 25 Ca -0.02 -0.83 0.15 0.00 0.09 0.00 0.00 57.88 57.28 1zts h LEU 25 Cb 1.23 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.87 1zts h LEU 25 CO 0.10 1.19 0.25 -0.07 0.09 0.00 0.00 178.44 180.01 1zts h LEU 26 N -0.97 0.17 -0.60 1.67 3.38 -1.41 -0.14 115.31 117.42 1zts h LEU 26 Ca -0.13 0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1zts h LEU 26 Cb 1.14 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 1zts h LEU 26 CO -0.07 0.05 0.06 0.07 0.09 0.00 0.00 178.44 178.64 1zts h LYS 27 N 0.37 1.02 -0.84 1.13 2.10 -1.65 -2.70 116.57 116.00 1zts h LYS 27 Ca 0.41 -0.29 0.14 0.00 -2.00 0.00 0.00 60.65 58.91 1zts h LYS 27 Cb 0.66 -0.11 -0.06 0.00 -0.90 0.00 0.00 32.23 31.82 1zts h LYS 27 CO -0.44 0.98 0.55 1.96 -2.00 0.00 0.00 179.45 180.49 1zts h GLN 28 N 0.92 0.57 -0.00 0.07 4.20 -0.96 0.28 115.11 120.19 1zts h GLN 28 Ca 0.18 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.69 1zts h GLN 28 Cb 0.48 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1zts h GLN 28 CO 0.02 0.38 -0.76 -0.44 -0.67 0.00 0.00 178.83 177.36 1zts h ASP 29 N 0.58 0.06 0.02 1.46 3.32 -1.11 -2.26 116.42 118.50 1zts h ASP 29 Ca 0.42 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.42 1zts h ASP 29 Cb 0.76 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1zts h ASP 29 CO -0.17 0.80 -0.01 0.40 -1.72 0.00 0.00 179.24 178.54 1zts h ILE 30 N 0.03 1.45 -0.10 0.35 2.04 -0.56 -1.84 117.51 118.89 1zts h ILE 30 Ca -0.01 -1.78 -0.03 0.00 1.00 0.00 0.00 64.86 64.04 1zts h ILE 30 Cb 1.34 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 40.00 1zts h ILE 30 CO 0.10 0.44 -0.06 -0.07 0.00 0.00 0.00 178.15 178.56 1zts h LEU 31 N -0.84 0.13 0.00 1.44 3.38 -0.66 -1.50 115.31 117.25 1zts h LEU 31 Ca -0.00 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1zts h LEU 31 Cb 0.74 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1zts h LEU 31 CO 0.01 0.22 -0.51 -0.08 0.09 0.00 0.00 178.44 178.16 1zts h GLU 32 N 0.14 0.00 -0.03 1.13 4.57 -1.47 -3.30 114.58 115.61 1zts h GLU 32 Ca 0.03 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.98 1zts h GLU 32 Cb 0.21 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1zts h GLU 32 CO 0.01 0.46 -0.88 0.00 -1.18 0.00 0.00 179.01 177.41 1zts h ALA 33 N 1.53 0.15 -0.12 2.92 0.00 -0.41 -3.15 119.26 120.18 1zts h ALA 33 Ca -0.01 -0.65 0.03 0.00 0.00 0.00 0.00 54.91 54.29 1zts h ALA 33 Cb 1.37 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1zts h ALA 33 CO 0.06 0.60 0.23 0.00 0.00 0.00 0.00 179.25 180.14 1zts h THR 34 N 0.31 0.22 0.00 0.00 1.03 -1.43 0.16 112.91 113.21 1zts h THR 34 Ca -0.10 0.00 -0.12 0.00 -0.01 0.00 0.00 66.41 66.18 1zts h THR 34 Cb 1.54 0.79 -0.02 0.00 -1.07 0.00 0.00 68.15 69.40 1zts h THR 34 CO 0.18 0.00 -0.55 0.00 -0.01 0.00 0.00 175.52 175.13 1zts h ALA 35 N 1.65 1.04 0.00 0.00 0.00 -1.67 -2.44 119.26 117.84 1zts h ALA 35 Ca 0.06 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1zts h ALA 35 Cb 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1zts h ALA 35 CO -0.00 0.69 -0.02 0.22 0.00 0.00 0.00 179.25 180.14 1zts h ASP 36 N 0.00 0.02 -0.15 0.00 3.58 -0.81 -2.73 116.42 116.33 1zts h ASP 36 Ca -0.01 -0.86 0.03 0.00 0.42 0.00 0.00 57.03 56.61 1zts h ASP 36 Cb 1.01 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 42.02 1zts h ASP 36 CO 0.07 0.88 -0.04 0.40 -2.88 0.00 0.00 179.24 177.67 1zts h ILE 37 N -0.84 0.84 -0.43 2.25 2.04 -1.55 -1.89 117.51 117.93 1zts h ILE 37 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1zts h ILE 37 Cb 0.88 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1zts h ILE 37 CO 0.00 0.00 0.22 0.40 0.00 0.00 0.00 178.15 178.78 1zts h ILE 38 N -0.00 1.14 0.00 -0.67 2.04 -1.57 -0.89 117.51 117.56 1zts h ILE 38 Ca 0.07 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1zts h ILE 38 Cb 0.11 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1zts h ILE 38 CO -0.16 0.16 -0.08 -0.07 0.00 0.00 0.00 178.15 178.00 1zts h LEU 39 N 0.60 0.00 0.05 1.44 3.38 -1.02 0.28 115.31 120.04 1zts h LEU 39 Ca 0.15 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.94 1zts h LEU 39 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1zts h LEU 39 CO -0.02 0.08 -0.97 0.11 0.09 0.00 0.00 178.44 177.72 1zts h LYS 40 N 0.00 0.12 0.00 1.13 1.57 -0.72 -3.34 116.57 115.33 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 0.31 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1zts h LYS 40 CO 0.01 1.09 0.00 -0.39 -0.57 0.00 0.00 179.45 179.59 1zts h VAL 41 N -0.69 0.00 -1.44 0.50 -1.51 -1.24 -3.46 116.25 108.41 1zts h VAL 41 Ca -0.23 -0.50 -0.28 0.00 -1.23 0.00 0.00 66.70 64.46 1zts h VAL 41 Cb 1.43 1.41 -0.05 0.00 -2.13 0.00 0.00 31.29 31.94 1zts h VAL 41 CO -0.03 0.00 -0.32 0.61 -1.23 0.00 0.00 177.57 176.61 1zts n GLY 42 N 0.59 0.48 3.32 5.19 0.00 0.98 -2.84 105.19 112.91 1zts n GLY 42 Ca 0.03 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.62 -0.51 0.00 1.61 3.76 -1.13 -4.96 115.29 111.44 1zts s HIS 43 Ca 0.00 1.20 0.00 0.00 -0.15 0.00 0.00 55.06 56.11 1zts s HIS 43 Cb 0.00 0.19 0.00 0.00 1.11 0.00 0.00 32.58 33.88 1zts s HIS 43 CO 0.00 -0.25 0.00 -0.40 -0.85 0.00 0.00 174.74 173.24 1zts n ASP 44 N 3.10 0.76 -2.86 1.40 5.75 -1.26 -4.66 116.55 118.78 1zts n ASP 44 Ca -0.15 -0.98 -0.14 0.00 -0.01 0.00 0.00 54.79 53.51 1zts n ASP 44 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 1zts n ASP 44 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1zts n PHE 45 N -0.61 1.02 0.02 2.11 3.01 -1.26 -4.90 117.46 116.85 1zts n PHE 45 Ca 0.00 -3.24 -0.21 0.00 1.01 0.00 0.00 57.45 55.00 1zts n PHE 45 Cb 0.00 -0.38 -0.14 0.00 -0.01 0.00 0.00 39.48 38.95 1zts n PHE 45 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1zts h SER 46 N 2.98 0.40 -1.61 4.37 0.02 -1.99 -3.44 113.55 114.28 1zts h SER 46 Ca 0.01 -0.87 -0.67 0.00 -0.84 0.00 0.00 61.79 59.42 1zts h SER 46 Cb 1.06 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.47 1zts h SER 46 CO 0.53 1.58 1.16 0.47 -1.14 0.00 0.00 176.83 179.42 1zts n ASP 47 N -3.96 2.75 0.33 3.07 8.00 -1.26 -4.79 116.55 120.68 1zts n ASP 47 Ca -0.23 0.80 0.22 0.00 0.71 0.00 0.00 54.79 56.29 1zts n ASP 47 Cb 0.89 -1.28 1.16 0.00 -0.02 0.00 0.00 41.12 41.87 1zts n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1zts h ALA 48 N 9.83 1.09 -0.65 2.24 0.00 -2.02 0.08 119.26 129.84 1zts h ALA 48 Ca -0.41 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.26 1zts h ALA 48 Cb 1.30 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 1zts h ALA 48 CO 0.97 -0.04 0.30 -0.85 0.00 0.00 0.00 179.25 179.64 1zts n GLU 49 N -3.14 2.88 -2.67 0.00 0.28 -1.26 -4.41 120.64 112.32 1zts n GLU 49 Ca -0.03 -2.42 -0.04 0.00 -0.16 0.00 0.00 57.16 54.51 1zts n GLU 49 Cb 0.11 -2.01 0.10 0.00 1.43 0.00 0.00 31.44 31.07 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 -0.25 -0.80 -3.34 -1.84 -0.00 0.01 -5.07 117.16 105.87 1zts n TYR 50 Ca 0.37 -0.90 -0.31 0.00 -0.00 0.00 0.00 57.90 57.06 1zts n TYR 50 Cb 1.25 1.21 -0.06 0.00 -0.00 0.00 0.00 39.34 41.74 1zts n TYR 50 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.86 175.97 1zts n ILE 51 N 0.79 3.05 -2.26 2.97 5.41 -1.22 -4.60 119.36 123.49 1zts n ILE 51 Ca -0.02 -5.38 -0.36 0.00 1.00 0.00 0.00 62.75 57.99 1zts n ILE 51 Cb 0.73 -2.10 -0.00 0.00 -0.71 0.00 0.00 39.64 37.56 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 -2.51 3.51 -0.51 0.38 0.04 -1.26 -5.02 135.00 129.63 1zts s PRO 52 Ca 0.37 1.67 0.07 0.00 0.04 0.00 0.00 61.00 63.15 1zts s PRO 52 Cb 0.12 -2.15 0.20 0.00 0.04 0.00 0.00 34.50 32.70 1zts s PRO 52 CO 0.01 -0.73 0.73 -0.11 0.04 0.00 0.00 177.00 176.93 1zts n LEU 53 N -1.00 -3.11 0.00 -3.56 7.94 -1.26 -5.05 117.00 110.96 1zts n LEU 53 Ca 0.10 -3.11 0.00 0.00 -1.11 0.00 0.00 56.01 51.89 1zts n LEU 53 Cb 0.50 0.76 0.00 0.00 0.53 0.00 0.00 43.42 45.21 1zts n LEU 53 CO 0.44 1.95 0.00 -0.81 -1.11 0.00 0.00 177.39 177.86 1zts n PRO 54 N 2.70 -0.51 0.06 1.96 -0.04 -1.26 -4.89 135.00 133.02 1zts n PRO 54 Ca 0.17 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.60 1zts n PRO 54 Cb 0.57 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.95 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 -0.05 0.54 4.81 -2.01 -3.23 114.58 114.63 1zts h GLU 55 Ca 0.00 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 1zts h GLU 55 Cb 0.00 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.40 1zts h GLU 55 CO 0.00 0.63 -0.95 0.00 -0.73 0.00 0.00 179.01 177.96 1zts h THR 56 N 0.00 1.28 -0.21 0.32 1.03 -1.93 -2.92 112.91 110.48 1zts h THR 56 Ca -0.09 -2.15 -0.06 0.00 -0.01 0.00 0.00 66.41 64.11 1zts h THR 56 Cb 1.68 2.25 -0.01 0.00 -1.07 0.00 0.00 68.15 70.99 1zts h THR 56 CO 0.09 0.67 -0.13 0.58 -0.01 0.00 0.00 175.52 176.72 1zts h VAL 57 N 0.44 1.20 -0.10 0.00 2.07 -1.88 -1.28 116.25 116.70 1zts h VAL 57 Ca -0.10 -0.89 -0.16 0.00 0.82 0.00 0.00 66.70 66.37 1zts h VAL 57 Cb 1.60 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1zts h VAL 57 CO 0.19 0.28 -0.61 -0.09 0.02 0.00 0.00 177.57 177.36 1zts h ARG 58 N 0.31 0.34 -0.02 1.57 2.43 -1.57 -2.96 114.38 114.49 1zts h ARG 58 Ca 0.06 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 1zts h ARG 58 Cb 0.43 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1zts h ARG 58 CO 0.02 0.85 -0.09 1.25 -1.51 0.00 0.00 179.97 180.49 1zts h LEU 59 N 0.25 0.11 -0.72 3.80 5.85 -1.26 -2.21 115.31 121.14 1zts h LEU 59 Ca -0.01 -0.67 0.14 0.00 0.84 0.00 0.00 57.88 58.18 1zts h LEU 59 Cb 1.14 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 42.04 1zts h LEU 59 CO 0.10 0.76 0.26 0.00 -0.34 0.00 0.00 178.44 179.22 1zts h ALA 60 N 0.35 0.99 -0.17 1.25 0.00 -1.30 0.13 119.26 120.50 1zts h ALA 60 Ca -0.01 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1zts h ALA 60 Cb 0.76 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1zts h ALA 60 CO 0.02 -0.23 -0.48 1.25 0.00 0.00 0.00 179.25 179.80 1zts h LEU 61 N 0.40 0.50 -1.04 0.00 7.12 -1.58 -2.26 115.31 118.46 1zts h LEU 61 Ca 0.39 -0.24 -0.02 0.00 0.13 0.00 0.00 57.88 58.15 1zts h LEU 61 Cb 0.60 -0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 40.55 1zts h LEU 61 CO -0.41 0.90 0.43 -0.07 -0.13 0.00 0.00 178.44 179.17 1zts h LEU 62 N 0.36 0.99 0.10 2.25 3.38 -0.36 0.28 115.31 122.31 1zts h LEU 62 Ca 0.02 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1zts h LEU 62 Cb 0.98 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1zts h LEU 62 CO 0.09 0.80 -0.05 0.11 0.09 0.00 0.00 178.44 179.48 1zts h LYS 63 N 1.11 -0.12 -0.60 1.13 1.57 -1.10 -2.77 116.57 115.79 1zts h LYS 63 Ca 0.28 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.08 1zts h LYS 63 Cb 0.03 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1zts h LYS 63 CO -0.04 0.39 0.40 -0.07 -0.57 0.00 0.00 179.45 179.55 1zts h LEU 64 N -0.80 0.66 -0.17 2.94 3.38 -1.33 -0.02 115.31 119.97 1zts h LEU 64 Ca -0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1zts h LEU 64 Cb 0.58 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1zts h LEU 64 CO 0.02 0.47 0.07 0.77 0.09 0.00 0.00 178.44 179.87 1zts h SER 65 N 0.78 0.23 0.43 -0.43 4.64 -0.48 -2.69 113.55 116.04 1zts h SER 65 Ca 0.22 -0.16 -0.10 0.00 -0.47 0.00 0.00 61.79 61.28 1zts h SER 65 Cb -0.05 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1zts h SER 65 CO -0.05 0.33 -0.47 0.06 -0.87 0.00 0.00 176.83 175.83 1zts h GLN 66 N 0.13 0.04 0.54 4.77 3.07 -1.15 -2.28 115.11 120.23 1zts h GLN 66 Ca 0.06 -0.02 -0.02 0.00 0.09 0.00 0.00 58.65 58.76 1zts h GLN 66 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.72 1zts h GLN 66 CO -0.01 0.51 -0.36 0.35 0.09 0.00 0.00 178.83 179.41 1zts h PHE 67 N 0.04 -0.96 -0.25 0.06 3.04 -0.73 0.96 116.94 119.11 1zts h PHE 67 Ca -0.00 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.91 1zts h PHE 67 Cb 0.85 0.35 -0.01 0.00 2.56 0.00 0.00 35.95 39.70 1zts h PHE 67 CO 0.00 -0.54 0.03 1.88 -2.02 0.00 0.00 178.31 177.66 1zts h TYR 68 N -0.86 0.45 -0.17 0.41 0.99 -1.50 -2.61 116.97 113.67 1zts h TYR 68 Ca -0.06 -0.07 0.05 0.00 2.00 0.00 0.00 58.73 60.65 1zts h TYR 68 Cb 0.72 -0.12 -0.01 0.00 1.00 0.00 0.00 36.73 38.32 1zts h TYR 68 CO -0.12 0.55 0.16 0.00 -0.00 0.00 0.00 178.16 178.75 1zts h ALA 69 N 0.84 1.91 -0.02 3.88 0.00 -1.34 0.11 119.26 124.64 1zts h ALA 69 Ca 0.07 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1zts h ALA 69 Cb 0.36 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1zts h ALA 69 CO 0.01 -0.25 -0.67 1.25 0.00 0.00 0.00 179.25 179.59 1zts h LEU 70 N 0.00 0.09 -3.27 0.00 5.85 -0.41 -3.11 115.31 114.46 1zts h LEU 70 Ca 0.08 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1zts h LEU 70 Cb 0.40 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1zts h LEU 70 CO -0.00 0.74 0.00 2.30 -0.34 0.00 0.00 178.44 181.13 1zts n ILE 71 N -3.77 2.23 0.16 4.05 -5.35 0.03 -4.05 119.36 112.66 1zts n ILE 71 Ca -0.02 -1.71 0.09 0.00 -0.27 0.00 0.00 62.75 60.84 1zts n ILE 71 Cb 0.66 -0.18 0.08 0.00 -1.74 0.00 0.00 39.64 38.46 1zts n ILE 71 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 1zts h ASN 72 N 2.24 0.00 0.00 7.28 -0.26 -0.82 -3.43 115.58 120.60 1zts h ASN 72 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1zts h ASN 72 Cb 1.47 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.73 1zts h ASN 72 CO 0.25 0.17 0.00 0.61 -1.06 0.00 0.00 177.43 177.39 1zts n GLY 73 N 1.17 -0.19 0.00 2.83 0.00 -1.26 -5.08 105.19 102.66 1zts n GLY 73 Ca 0.01 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.00 0.00 1.61 -0.08 -1.26 -5.02 116.55 111.81 1zts n ASP 74 Ca 0.00 0.63 0.00 0.00 -1.51 0.00 0.00 54.79 53.91 1zts n ASP 74 Cb 0.00 -0.21 0.00 0.00 2.34 0.00 0.00 41.12 43.25 1zts n ASP 74 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1zts n GLU 75 N -1.14 0.00 -3.17 -0.67 0.00 -1.26 -5.02 120.64 109.38 1zts n GLU 75 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 56.89 1zts n GLU 75 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.38 1zts n GLU 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1zts n SER 76 N -2.93 4.16 -3.91 4.31 7.64 -1.26 -5.03 113.62 116.60 1zts n SER 76 Ca 0.00 -3.58 -0.19 0.00 1.01 0.00 0.00 58.87 56.11 1zts n SER 76 Cb 0.00 -0.61 -0.16 0.00 -1.01 0.00 0.00 64.21 62.43 1zts n SER 76 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1zts s ILE 77 N -3.53 0.51 0.38 0.44 1.01 -1.26 -4.77 121.20 113.98 1zts s ILE 77 Ca 0.45 -0.15 -0.18 0.00 0.00 0.00 0.00 60.65 60.76 1zts s ILE 77 Cb 0.22 -0.52 -0.10 0.00 0.01 0.00 0.00 42.46 42.07 1zts s ILE 77 CO -0.08 0.20 0.85 -0.51 0.00 0.00 0.00 174.94 175.41 1zts s ILE 78 N 0.65 4.52 -0.41 2.92 2.07 -1.26 -4.97 121.20 124.72 1zts s ILE 78 Ca -0.08 1.25 0.05 0.00 -1.41 0.00 0.00 60.65 60.46 1zts s ILE 78 Cb -0.12 -3.61 0.18 0.00 0.13 0.00 0.00 42.46 39.04 1zts s ILE 78 CO 0.00 -0.25 0.70 -1.59 -1.91 0.00 0.00 174.94 171.90 1zts s LYS 79 N -3.06 0.75 -0.08 3.50 0.00 -1.24 -3.60 119.74 116.01 1zts s LYS 79 Ca 0.58 -0.31 -0.03 0.00 0.00 0.00 0.00 55.97 56.22 1zts s LYS 79 Cb -0.10 0.07 0.04 0.00 0.00 0.00 0.00 37.83 37.85 1zts s LYS 79 CO 0.15 -1.06 0.13 0.20 0.00 0.00 0.00 175.35 174.77 1zts s GLY 80 N 1.76 0.11 -0.26 0.59 0.00 -1.26 -5.12 107.32 103.14 1zts s GLY 80 Ca 0.17 0.39 -0.23 0.00 0.00 0.00 0.00 44.72 45.04 1zts s GLY 80 CO -0.08 1.61 0.69 -0.19 0.00 0.00 0.00 173.10 175.13 1zts s TYR 81 N 2.25 -0.78 -1.01 1.90 2.02 -1.26 -5.01 117.35 115.46 1zts s TYR 81 Ca 0.04 1.88 0.11 0.00 -0.37 0.00 0.00 57.07 58.73 1zts s TYR 81 Cb -0.12 0.29 0.50 0.00 -0.40 0.00 0.00 41.96 42.22 1zts s TYR 81 CO -0.05 -0.38 1.33 0.25 -1.57 0.00 0.00 175.55 175.13 1zts n THR 82 N 2.82 1.42 -4.20 -0.71 -2.24 -1.26 -4.91 114.28 105.21 1zts n THR 82 Ca -0.14 -0.83 -0.09 0.00 -2.27 0.00 0.00 64.05 60.72 1zts n THR 82 Cb 0.55 -0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.64 1zts n THR 82 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1zts n THR 83 N 0.58 0.00 -0.05 4.28 -1.04 -1.26 -5.15 114.28 111.65 1zts n THR 83 Ca 0.18 -0.65 -0.00 0.00 -2.04 0.00 0.00 64.05 61.53 1zts n THR 83 Cb 0.72 0.14 0.00 0.00 -1.82 0.00 0.00 70.33 69.37 1zts n THR 83 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1zts n GLU 84 N -0.34 -1.94 -3.03 -2.82 2.13 -1.26 -4.87 120.64 108.51 1zts n GLU 84 Ca -0.06 -0.01 -0.44 0.00 0.66 0.00 0.00 57.16 57.31 1zts n GLU 84 Cb 0.17 -0.02 -0.01 0.00 0.27 0.00 0.00 31.44 31.86 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 -3.02 3.89 0.26 5.31 -0.14 -1.26 -5.01 119.74 119.77 1zts s LYS 85 Ca 0.01 -2.36 0.05 0.00 -1.36 0.00 0.00 55.97 52.30 1zts s LYS 85 Cb -0.00 -4.89 -0.03 0.00 -1.68 0.00 0.00 37.83 31.23 1zts s LYS 85 CO 0.00 -1.66 0.40 0.42 -0.76 0.00 0.00 175.35 173.75 1zts s ILE 86 N 1.47 5.13 -0.40 2.17 1.09 -1.26 -5.01 121.20 124.39 1zts s ILE 86 Ca 0.35 -0.92 -0.02 0.00 -1.10 0.00 0.00 60.65 58.97 1zts s ILE 86 Cb -0.05 -3.82 0.23 0.00 -1.06 0.00 0.00 42.46 37.76 1zts s ILE 86 CO -0.05 -0.34 2.12 0.61 -0.10 0.00 0.00 174.94 177.18 1zts n GLY 87 N -1.48 4.46 0.00 6.18 0.00 -1.26 -4.94 105.19 108.14 1zts n GLY 87 Ca -0.08 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1zts n GLY 87 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zts n ASP 88 N 0.20 -0.74 -2.48 1.61 2.03 -1.26 -4.78 116.55 111.12 1zts n ASP 88 Ca 0.38 -0.59 -0.25 0.00 0.52 0.00 0.00 54.79 54.85 1zts n ASP 88 Cb 0.58 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.90 1zts n ASP 88 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1zts n TYR 89 N -2.30 1.33 -1.60 -0.67 4.01 -1.26 -4.40 117.16 112.27 1zts n TYR 89 Ca 0.00 -1.94 -0.08 0.00 -0.16 0.00 0.00 57.90 55.72 1zts n TYR 89 Cb 0.00 -1.50 0.16 0.00 -0.31 0.00 0.00 39.34 37.69 1zts n TYR 89 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1zts n SER 90 N 1.39 3.11 -2.92 7.72 3.41 -1.26 -4.71 113.62 120.37 1zts n SER 90 Ca 0.49 -3.82 -0.13 0.00 -0.26 0.00 0.00 58.87 55.16 1zts n SER 90 Cb 0.60 -0.58 0.04 0.00 -0.26 0.00 0.00 64.21 64.01 1zts n SER 90 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1zts n TYR 91 N -1.03 -1.63 -0.76 7.33 4.02 -1.24 -3.65 117.16 120.20 1zts n TYR 91 Ca 0.34 -2.82 -0.33 0.00 -0.01 0.00 0.00 57.90 55.08 1zts n TYR 91 Cb 0.92 0.78 0.14 0.00 -0.02 0.00 0.00 39.34 41.16 1zts n TYR 91 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1zts n THR 92 N 0.38 0.00 -4.21 -0.72 -1.04 -1.26 -3.54 114.28 103.88 1zts n THR 92 Ca 0.14 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.05 61.79 1zts n THR 92 Cb 0.68 -0.57 -0.04 0.00 -1.82 0.00 0.00 70.33 68.58 1zts n THR 92 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1zts n LEU 93 N -1.15 0.00 -0.07 -4.42 4.77 0.10 -4.50 117.00 111.73 1zts n LEU 93 Ca 0.04 -1.59 -0.09 0.00 -0.03 0.00 0.00 56.01 54.33 1zts n LEU 93 Cb 0.58 0.64 0.06 0.00 -2.33 0.00 0.00 43.42 42.36 1zts n LEU 93 CO 0.51 -0.25 0.61 1.23 -1.33 0.00 0.00 177.39 178.16 1zts h GLY 94 N 0.90 0.83 1.69 -0.72 0.00 -1.87 -3.10 103.07 100.80 1zts h GLY 94 Ca -0.15 -0.80 -0.18 0.00 0.00 0.00 0.00 47.33 46.21 1zts h GLY 94 CO 0.23 0.72 -0.73 -0.55 0.00 0.00 0.00 176.54 176.20 1zts h ASP 95 N 0.64 0.37 0.00 0.19 3.32 -2.01 -3.47 116.42 115.45 1zts h ASP 95 Ca 0.06 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1zts h ASP 95 Cb 0.88 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.32 1zts h ASP 95 CO 0.08 0.98 0.00 0.61 -1.72 0.00 0.00 179.24 179.18 1zts n GLY 96 N 0.55 1.27 3.77 2.75 0.00 -1.17 -5.13 105.19 107.24 1zts n GLY 96 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1zts n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zts s SER 97 N -0.43 4.88 -0.22 1.61 0.01 -1.26 -4.43 113.70 113.85 1zts s SER 97 Ca 0.00 1.88 0.08 0.00 1.31 0.00 0.00 55.95 59.23 1zts s SER 97 Cb 0.00 -2.53 0.59 0.00 0.21 0.00 0.00 66.02 64.28 1zts s SER 97 CO 0.00 -1.78 1.51 -1.20 0.41 0.00 0.00 173.24 172.18 1zts n SER 98 N -2.96 4.29 -2.78 2.44 7.64 -1.26 0.00 113.62 121.00 1zts n SER 98 Ca 0.09 -2.85 -0.02 0.00 1.01 0.00 0.00 58.87 57.11 1zts n SER 98 Cb 0.53 -0.67 -0.02 0.00 -1.01 0.00 0.00 64.21 63.03 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 0.13 -6.43 -4.73 -3.43 7.94 -1.23 -4.22 117.00 105.02 1zts n LEU 99 Ca 0.28 1.59 -0.41 0.00 -1.11 0.00 0.00 56.01 56.36 1zts n LEU 99 Cb 1.09 -2.92 -0.05 0.00 0.53 0.00 0.00 43.42 42.07 1zts n LEU 99 CO 0.31 -3.29 0.64 -1.10 -1.11 0.00 0.00 177.39 172.84 1zts s GLN 100 N -1.02 4.68 0.93 1.96 -0.21 -1.26 -4.97 119.66 119.77 1zts s GLN 100 Ca -0.11 1.40 -0.13 0.00 0.02 0.00 0.00 55.36 56.55 1zts s GLN 100 Cb 0.01 -3.37 0.05 0.00 1.00 0.00 0.00 33.01 30.69 1zts s GLN 100 CO 0.61 0.23 0.53 1.63 -2.12 0.00 0.00 175.29 176.17 1zts n LYS 101 N 2.74 -0.27 -2.25 2.91 4.01 -1.26 -4.92 118.16 119.12 1zts n LYS 101 Ca 0.02 -0.03 -0.40 0.00 -0.51 0.00 0.00 58.31 57.38 1zts n LYS 101 Cb 0.49 -1.94 -0.03 0.00 -0.51 0.00 0.00 35.03 33.04 1zts n LYS 101 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1zts s PRO 102 N -3.73 4.45 -1.14 1.97 0.04 -1.26 -4.91 135.00 130.41 1zts s PRO 102 Ca 0.59 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 63.50 1zts s PRO 102 Cb -0.22 -3.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 1zts s PRO 102 CO 0.65 -0.05 2.03 -0.25 0.04 0.00 0.00 177.00 179.43 1zts n ASP 103 N 0.92 3.37 -1.72 6.66 8.00 -1.26 -4.61 116.55 127.91 1zts n ASP 103 Ca -0.00 -2.77 0.06 0.00 0.71 0.00 0.00 54.79 52.78 1zts n ASP 103 Cb 0.43 -1.46 0.35 0.00 -0.02 0.00 0.00 41.12 40.42 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 5.83 2.41 -0.08 2.53 0.24 -1.26 -4.35 118.33 123.65 1zts n VAL 104 Ca 0.50 -1.22 -0.15 0.00 -2.04 0.00 0.00 64.34 61.43 1zts n VAL 104 Cb 0.41 -0.31 -0.04 0.00 -1.47 0.00 0.00 33.84 32.42 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 3.43 1.11 0.00 6.34 -0.00 -1.99 -2.99 116.97 122.87 1zts h TYR 105 Ca 0.01 -0.40 -0.06 0.00 -0.00 0.00 0.00 58.73 58.29 1zts h TYR 105 Cb 1.81 -0.21 -0.01 0.00 -0.00 0.00 0.00 36.73 38.32 1zts h TYR 105 CO 0.96 1.23 -0.27 0.00 -0.00 0.00 0.00 178.16 180.09 1zts h ALA 106 N 0.69 1.04 0.11 1.82 0.00 -1.99 -2.03 119.26 118.90 1zts h ALA 106 Ca 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1zts h ALA 106 Cb 1.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1zts h ALA 106 CO 0.12 0.33 -0.05 -0.07 0.00 0.00 0.00 179.25 179.58 1zts h LEU 107 N 0.00 -0.12 -0.06 0.00 3.38 -1.81 -3.02 115.31 113.68 1zts h LEU 107 Ca -0.00 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1zts h LEU 107 Cb 0.76 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1zts h LEU 107 CO 0.03 0.31 -0.00 2.30 0.09 0.00 0.00 178.44 181.17 1zts n ILE 108 N -4.96 0.00 0.33 1.22 -5.35 -1.14 -3.64 119.36 105.83 1zts n ILE 108 Ca -0.09 -0.02 0.21 0.00 -0.27 0.00 0.00 62.75 62.59 1zts n ILE 108 Cb 0.24 -0.43 1.14 0.00 -1.74 0.00 0.00 39.64 38.85 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 0.15 0.00 0.00 6.28 1.63 -1.23 0.26 116.57 123.66 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 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 1zts h LYS 109 CO 0.00 0.00 -0.02 -0.25 -3.45 0.00 0.00 179.45 175.73 1zts n ASP 110 N -3.02 0.76 -2.65 4.20 8.00 -1.24 -3.81 116.55 118.79 1zts n ASP 110 Ca -0.03 0.56 -0.08 0.00 0.71 0.00 0.00 54.79 55.95 1zts n ASP 110 Cb 0.12 -0.75 0.04 0.00 -0.02 0.00 0.00 41.12 40.50 1zts n ASP 110 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1zts n TYR 111 N -2.21 1.58 -3.64 1.24 4.02 0.87 -5.02 117.16 114.00 1zts n TYR 111 Ca 0.06 -2.44 -0.39 0.00 -0.01 0.00 0.00 57.90 55.12 1zts n TYR 111 Cb 0.42 -0.28 -0.10 0.00 -0.02 0.00 0.00 39.34 39.37 1zts n TYR 111 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1zts s VAL 112 N -3.82 3.83 -0.39 -0.72 1.01 -0.94 -4.78 120.40 114.60 1zts s VAL 112 Ca 0.32 -1.90 -0.21 0.00 0.00 0.00 0.00 61.98 60.18 1zts s VAL 112 Cb 0.38 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 33.23 1zts s VAL 112 CO -0.02 -0.74 0.51 1.17 0.00 0.00 0.00 175.10 176.02 1zts n LYS 113 N 4.78 -2.18 -2.20 2.72 3.00 -1.13 -4.88 118.16 118.26 1zts n LYS 113 Ca -0.06 1.85 -0.42 0.00 -0.00 0.00 0.00 58.31 59.68 1zts n LYS 113 Cb 0.41 -3.99 -0.03 0.00 0.00 0.00 0.00 35.03 31.42 1zts n LYS 113 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1zts s PRO 114 N -2.32 4.34 -0.36 1.64 0.04 -1.26 -4.96 135.00 132.12 1zts s PRO 114 Ca 0.25 2.04 0.14 0.00 0.04 0.00 0.00 61.00 63.47 1zts s PRO 114 Cb -0.05 -3.25 0.41 0.00 0.04 0.00 0.00 34.50 31.65 1zts s PRO 114 CO 0.75 -0.39 0.88 0.00 0.04 0.00 0.00 177.00 178.28 1zts n ALA 115 N 3.71 3.08 -2.45 8.56 0.00 -1.26 -5.10 120.51 127.04 1zts n ALA 115 Ca 0.10 -3.42 -0.24 0.00 0.00 0.00 0.00 53.44 49.89 1zts n ALA 115 Cb 0.43 -0.89 -0.12 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.91 2.93 0.52 0.00 1.11 -1.26 -5.15 116.67 111.92 1zts s ASP 116 Ca 0.35 -0.83 0.00 0.00 0.18 0.00 0.00 52.55 52.24 1zts s ASP 116 Cb 0.40 -0.19 0.00 0.00 1.07 0.00 0.00 42.92 44.20 1zts s ASP 116 CO -0.03 0.04 0.00 -0.81 1.18 0.00 0.00 175.17 175.54 1zts n PRO 117 N 0.42 -0.06 -1.07 8.23 -0.04 -1.26 -4.85 135.00 136.37 1zts n PRO 117 Ca -0.14 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.16 1zts n PRO 117 Cb 0.56 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.95 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 -1.57 5.88 0.03 3.54 4.64 -1.26 -4.15 116.55 123.65 1zts n ASP 118 Ca 0.00 -2.81 0.11 0.00 -1.38 0.00 0.00 54.79 50.71 1zts n ASP 118 Cb 0.00 -1.25 0.00 0.00 -1.04 0.00 0.00 41.12 38.83 1zts n ASP 118 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1zts n LEU 119 N 1.44 0.59 0.00 -2.67 -0.00 -1.26 -4.94 117.00 110.16 1zts n LEU 119 Ca 0.36 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.37 1zts n LEU 119 Cb 0.68 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 1zts n LEU 119 CO 0.22 0.03 0.00 1.21 -0.00 0.00 0.00 177.39 178.84 1zts n GLU 120 N -2.03 -0.81 0.00 1.47 2.13 -1.26 -4.92 120.64 115.21 1zts n GLU 120 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1zts n GLU 120 Cb 0.45 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.16 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 0.15 -2.49 1.43 8.31 0.00 -1.26 -4.98 105.19 106.35 1zts n GLY 121 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1zts n GLY 121 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1zts n ILE 122 N -0.57 -4.06 -1.34 -0.61 -0.00 -1.26 -4.70 119.36 106.82 1zts n ILE 122 Ca 0.00 1.86 -0.12 0.00 -0.00 0.00 0.00 62.75 64.49 1zts n ILE 122 Cb 0.00 -2.70 -0.05 0.00 -0.00 0.00 0.00 39.64 36.89 1zts n ILE 122 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1zts n GLU 123 N -1.49 -1.41 -0.11 0.38 1.02 -1.26 -4.83 120.64 112.93 1zts n GLU 123 Ca 0.00 0.89 -0.18 0.00 -0.02 0.00 0.00 57.16 57.85 1zts n GLU 123 Cb 0.16 -5.16 -0.06 0.00 -0.02 0.00 0.00 31.44 26.35 1zts n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1zts n ALA 124 N 1.22 0.93 -0.10 0.62 0.00 -1.26 -3.55 120.51 118.37 1zts n ALA 124 Ca -0.12 -0.83 -0.06 0.00 0.00 0.00 0.00 53.44 52.44 1zts n ALA 124 Cb 0.54 -0.01 0.13 0.00 0.00 0.00 0.00 19.45 20.11 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 -1.00 0.78 0.10 0.00 3.64 -1.98 0.60 116.57 118.71 1zts h LYS 125 Ca -0.30 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1zts h LYS 125 Cb 1.20 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1zts h LYS 125 CO -0.18 0.85 -0.05 0.28 -2.27 0.00 0.00 179.45 178.08 1zts h VAL 126 N 0.71 1.13 -0.38 2.00 2.07 -1.96 0.12 116.25 119.94 1zts h VAL 126 Ca 0.12 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 1zts h VAL 126 Cb 0.57 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1zts h VAL 126 CO 0.04 0.24 0.03 0.03 0.02 0.00 0.00 177.57 177.93 1zts h ARG 127 N -0.62 0.58 0.13 1.57 3.08 -1.60 0.16 114.38 117.69 1zts h ARG 127 Ca -0.01 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1zts h ARG 127 Cb 0.50 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1zts h ARG 127 CO 0.02 0.59 -0.06 1.98 -1.07 0.00 0.00 179.97 181.42 1zts h MET 128 N 0.56 -0.17 -0.66 0.04 4.05 -0.88 -3.07 114.93 114.81 1zts h MET 128 Ca 0.12 0.01 0.19 0.00 -0.28 0.00 0.00 59.70 59.74 1zts h MET 128 Cb 0.31 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.13 1zts h MET 128 CO 0.01 -0.11 0.51 0.00 0.23 0.00 0.00 176.91 177.55 1zts h ARG 129 N -0.50 0.00 -2.24 0.39 3.08 -0.81 -2.09 114.38 112.20 1zts h ARG 129 Ca -0.02 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.36 1zts h ARG 129 Cb 0.14 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 29.82 1zts h ARG 129 CO 0.03 0.00 -0.02 0.45 -1.07 0.00 0.00 179.97 179.36 1zts n SER 130 N -4.16 5.58 -4.50 7.04 2.88 0.04 -5.03 113.62 115.47 1zts n SER 130 Ca 0.13 -3.69 -0.29 0.00 -1.33 0.00 0.00 58.87 53.69 1zts n SER 130 Cb 0.77 -0.78 -0.11 0.00 -0.75 0.00 0.00 64.21 63.34 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 -4.48 2.90 -0.13 2.46 2.07 -0.79 -4.72 121.20 118.51 1zts s ILE 131 Ca 0.45 -1.54 0.20 0.00 -1.41 0.00 0.00 60.65 58.35 1zts s ILE 131 Cb 0.26 -2.35 -0.29 0.00 0.13 0.00 0.00 42.46 40.21 1zts s ILE 131 CO -0.14 0.06 0.24 0.18 -1.91 0.00 0.00 174.94 173.36 1zts n LEU 132 N 0.65 0.00 0.00 8.50 4.77 -1.26 -4.99 117.00 124.66 1zts n LEU 132 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1zts n LEU 132 Cb 0.53 0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 1zts n LEU 132 CO 0.30 0.29 0.00 -0.62 -1.33 0.00 0.00 177.39 176.03 1zts n GLU 133 N -2.54 0.00 -3.20 3.23 1.02 -1.26 -4.73 120.64 113.16 1zts n GLU 133 Ca -0.21 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 56.96 1zts n GLU 133 Cb 0.91 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 32.34 1zts n GLU 133 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1zts n HIS 134 N 0.00 -0.07 -2.13 -0.32 1.44 -1.26 -5.06 115.22 107.83 1zts n HIS 134 Ca 0.00 -0.33 -0.01 0.00 -2.01 0.00 0.00 57.72 55.37 1zts n HIS 134 Cb 0.00 0.14 -0.02 0.00 0.12 0.00 0.00 29.99 30.23 1zts n HIS 134 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1zts n HIS 135 N -0.58 0.00 0.00 -1.40 -0.00 -1.26 -5.01 115.22 106.97 1zts n HIS 135 Ca 0.04 -0.31 0.00 0.00 0.46 0.00 0.00 57.72 57.91 1zts n HIS 135 Cb 0.34 0.18 0.00 0.00 -0.12 0.00 0.00 29.99 30.40 1zts n HIS 135 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1zts n HIS 136 N 0.13 -1.57 -3.19 1.57 8.25 -1.26 -5.18 115.22 113.97 1zts n HIS 136 Ca -0.08 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1zts n HIS 136 Cb 0.77 0.36 0.00 0.00 1.12 0.00 0.00 29.99 32.24 1zts n HIS 136 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1zts n HIS 137 N -2.07 -0.86 -4.06 4.41 -0.00 -1.26 -5.19 115.22 106.19 1zts n HIS 137 Ca 0.00 -0.04 -0.07 0.00 -0.00 0.00 0.00 57.72 57.61 1zts n HIS 137 Cb 0.00 0.02 -0.10 0.00 -0.00 0.00 0.00 29.99 29.91 1zts n HIS 137 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1zts s HIS 138 N -7.66 0.45 0.00 -1.40 5.04 -1.26 -4.96 115.29 105.50 1zts s HIS 138 Ca 0.00 -0.94 0.00 0.00 -1.54 0.00 0.00 55.06 52.59 1zts s HIS 138 Cb -0.00 -0.34 0.00 0.00 0.04 0.00 0.00 32.58 32.28 1zts s HIS 138 CO 0.00 -0.35 0.00 -2.39 -2.34 0.00 0.00 174.74 169.67