#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zts s LEU 2 N 0.00 3.00 -0.08 4.03 2.01 -1.26 -4.90 118.68 121.47 1zts s LEU 2 Ca 0.00 0.91 0.20 0.00 0.01 0.00 0.00 54.13 55.25 1zts s LEU 2 Cb 0.00 -3.69 0.42 0.00 0.01 0.00 0.00 46.19 42.93 1zts s LEU 2 CO 0.00 -1.29 1.19 0.18 1.01 0.00 0.00 176.35 177.44 1zts n LEU 3 N -2.86 1.63 -5.02 1.79 4.32 -1.26 -5.08 117.00 110.52 1zts n LEU 3 Ca 0.06 -2.70 -0.19 0.00 -0.02 0.00 0.00 56.01 53.16 1zts n LEU 3 Cb 0.58 -0.20 0.04 0.00 -1.62 0.00 0.00 43.42 42.22 1zts n LEU 3 CO 0.55 0.84 0.28 0.27 -1.22 0.00 0.00 177.39 178.11 1zts s ILE 4 N -1.23 2.55 0.00 -0.08 -4.36 -1.26 -5.12 121.20 111.70 1zts s ILE 4 Ca 0.35 -0.95 0.06 0.00 -0.26 0.00 0.00 60.65 59.85 1zts s ILE 4 Cb 0.38 -2.60 -0.03 0.00 1.25 0.00 0.00 42.46 41.46 1zts s ILE 4 CO -0.13 0.00 -0.17 0.28 0.24 0.00 0.00 174.94 175.16 1zts s THR 5 N -2.57 2.85 -0.82 8.37 -1.32 -1.26 -5.01 115.64 115.89 1zts s THR 5 Ca 0.59 -0.99 0.17 0.00 -1.21 0.00 0.00 61.69 60.25 1zts s THR 5 Cb -0.08 -2.15 0.16 0.00 -1.51 0.00 0.00 72.50 68.92 1zts s THR 5 CO 0.37 0.45 1.54 -0.81 -2.21 0.00 0.00 174.62 173.96 1zts n PRO 6 N 1.91 0.07 0.07 7.08 -0.04 -1.26 -2.46 135.00 140.37 1zts n PRO 6 Ca -0.16 0.32 -0.07 0.00 -0.04 0.00 0.00 63.50 63.54 1zts n PRO 6 Cb 0.52 -1.63 -0.09 0.00 -0.04 0.00 0.00 33.50 32.26 1zts n PRO 6 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1zts h ASP 7 N 0.00 0.05 0.35 3.54 3.58 -1.96 -3.28 116.42 118.70 1zts h ASP 7 Ca 0.00 -0.05 -0.25 0.00 0.42 0.00 0.00 57.03 57.15 1zts h ASP 7 Cb 0.28 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.32 1zts h ASP 7 CO 0.00 1.00 -1.05 -0.33 -2.88 0.00 0.00 179.24 175.99 1zts h GLU 8 N 0.01 0.43 -0.33 0.28 4.39 -1.91 -2.99 114.58 114.46 1zts h GLU 8 Ca -0.02 -0.52 0.06 0.00 0.34 0.00 0.00 59.36 59.22 1zts h GLU 8 Cb 1.72 0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 30.48 1zts h GLU 8 CO 0.13 1.18 0.01 1.25 -1.16 0.00 0.00 179.01 180.42 1zts h LEU 9 N 0.21 -0.10 -0.67 1.33 5.85 -1.62 0.82 115.31 121.14 1zts h LEU 9 Ca -0.11 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 1zts h LEU 9 Cb 1.71 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.83 1zts h LEU 9 CO 0.18 -0.02 -0.01 0.07 -0.34 0.00 0.00 178.44 178.33 1zts h LYS 10 N 0.11 1.03 0.00 1.25 2.10 -1.64 0.26 116.57 119.68 1zts h LYS 10 Ca 0.16 -0.32 -0.03 0.00 -2.00 0.00 0.00 60.65 58.45 1zts h LYS 10 Cb 0.20 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1zts h LYS 10 CO -0.25 1.01 -0.16 1.03 -2.00 0.00 0.00 179.45 179.08 1zts h SER 11 N 0.94 0.00 0.44 7.07 0.87 -1.22 -2.59 113.55 119.07 1zts h SER 11 Ca 0.17 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.55 1zts h SER 11 Cb 0.55 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 1zts h SER 11 CO 0.03 0.16 -1.71 0.00 -0.53 0.00 0.00 176.83 174.79 1zts n TYR 12 N -3.78 0.61 -3.21 2.24 9.36 0.22 -4.94 117.16 117.67 1zts n TYR 12 Ca -0.02 0.20 -0.25 0.00 3.32 0.00 0.00 57.90 61.16 1zts n TYR 12 Cb 0.27 -0.97 -0.01 0.00 -0.63 0.00 0.00 39.34 38.00 1zts n TYR 12 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1zts s SER 13 N -5.50 6.30 -0.11 2.98 0.15 0.88 -5.02 113.70 113.38 1zts s SER 13 Ca -0.05 0.58 0.14 0.00 0.70 0.00 0.00 55.95 57.32 1zts s SER 13 Cb 0.09 -2.09 0.29 0.00 -1.71 0.00 0.00 66.02 62.60 1zts s SER 13 CO 0.83 -0.35 1.14 1.33 1.20 0.00 0.00 173.24 177.39 1zts n VAL 14 N -1.82 1.45 -4.37 4.45 0.24 -1.26 -4.82 118.33 112.20 1zts n VAL 14 Ca -0.03 -2.00 -0.34 0.00 -2.04 0.00 0.00 64.34 59.93 1zts n VAL 14 Cb 0.56 0.01 -0.12 0.00 -1.47 0.00 0.00 33.84 32.83 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 -2.18 3.06 -0.27 6.34 0.40 -1.26 -4.98 117.98 119.09 1zts s PHE 15 Ca 0.28 -0.20 0.26 0.00 -0.60 0.00 0.00 56.93 56.67 1zts s PHE 15 Cb 0.26 -1.95 1.16 0.00 0.51 0.00 0.00 43.02 43.01 1zts s PHE 15 CO -0.02 0.04 1.78 1.49 0.70 0.00 0.00 175.22 179.21 1zts h GLU 16 N 6.50 0.00 -0.23 0.44 4.81 -1.99 -2.77 114.58 121.35 1zts h GLU 16 Ca -0.34 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.85 1zts h GLU 16 Cb 1.19 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1zts h GLU 16 CO 0.63 0.00 -0.02 0.77 -0.73 0.00 0.00 179.01 179.65 1zts h SER 17 N 0.00 0.42 0.74 1.04 0.02 -1.93 -1.49 113.55 112.35 1zts h SER 17 Ca 0.00 -0.34 -0.20 0.00 -0.84 0.00 0.00 61.79 60.41 1zts h SER 17 Cb 0.30 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1zts h SER 17 CO 0.00 0.66 -0.94 0.58 -1.14 0.00 0.00 176.83 175.99 1zts h VAL 18 N 0.18 1.57 -0.55 2.27 2.07 -1.75 -3.27 116.25 116.76 1zts h VAL 18 Ca 0.06 -2.90 -0.07 0.00 0.82 0.00 0.00 66.70 64.61 1zts h VAL 18 Cb 0.46 2.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 1zts h VAL 18 CO 0.02 0.84 0.08 0.11 0.02 0.00 0.00 177.57 178.63 1zts h LYS 19 N 0.05 0.92 0.00 1.57 6.56 -1.45 -2.21 116.57 122.02 1zts h LYS 19 Ca -0.04 -0.26 0.00 0.00 -1.06 0.00 0.00 60.65 59.29 1zts h LYS 19 Cb 1.61 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 33.17 1zts h LYS 19 CO 0.14 0.90 0.00 0.00 -2.06 0.00 0.00 179.45 178.42 1zts h THR 20 N 0.81 0.00 -3.42 -0.16 1.03 -1.32 -3.40 112.91 106.45 1zts h THR 20 Ca 0.17 -0.06 -0.60 0.00 -0.01 0.00 0.00 66.41 65.90 1zts h THR 20 Cb 0.43 0.73 -0.11 0.00 -1.07 0.00 0.00 68.15 68.13 1zts h THR 20 CO 0.01 0.00 0.27 -0.13 -0.01 0.00 0.00 175.52 175.66 1zts s ARG 21 N -3.67 4.11 0.11 0.00 0.52 -0.83 -5.06 118.95 114.13 1zts s ARG 21 Ca -0.02 0.65 -0.02 0.00 -0.52 0.00 0.00 55.73 55.83 1zts s ARG 21 Cb 0.08 -3.66 0.03 0.00 0.52 0.00 0.00 34.95 31.92 1zts s ARG 21 CO 0.29 -0.47 0.10 -0.35 0.02 0.00 0.00 175.30 174.89 1zts n PRO 22 N 5.84 -1.22 0.02 3.54 -0.04 -1.26 -4.56 135.00 137.32 1zts n PRO 22 Ca 0.02 -0.16 -0.06 0.00 -0.04 0.00 0.00 63.50 63.26 1zts n PRO 22 Cb 0.48 -0.15 0.13 0.00 -0.04 0.00 0.00 33.50 33.93 1zts n PRO 22 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1zts h ASP 23 N -1.18 0.50 0.09 3.54 3.04 -1.97 -0.10 116.42 120.34 1zts h ASP 23 Ca -0.04 -0.23 -0.00 0.00 -3.24 0.00 0.00 57.03 53.52 1zts h ASP 23 Cb 0.11 -0.14 0.00 0.00 -1.04 0.00 0.00 39.33 38.26 1zts h ASP 23 CO 0.02 0.87 -0.04 -0.08 -2.04 0.00 0.00 179.24 177.97 1zts h GLU 24 N 0.38 -0.12 0.15 4.15 4.57 -2.00 -1.37 114.58 120.35 1zts h GLU 24 Ca 0.03 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1zts h GLU 24 Cb 0.92 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 1zts h GLU 24 CO 0.08 0.11 -0.07 -0.07 -1.18 0.00 0.00 179.01 177.88 1zts h LEU 25 N -0.34 -0.18 -0.79 1.64 3.38 -1.90 -3.07 115.31 114.05 1zts h LEU 25 Ca -0.01 -0.32 0.17 0.00 0.09 0.00 0.00 57.88 57.81 1zts h LEU 25 Cb 0.29 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 40.97 1zts h LEU 25 CO 0.02 0.26 0.25 -0.07 0.09 0.00 0.00 178.44 178.99 1zts h LEU 26 N -0.65 0.13 -0.16 1.67 3.38 -1.08 -0.76 115.31 117.84 1zts h LEU 26 Ca -0.02 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.14 1zts h LEU 26 Cb 0.48 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 1zts h LEU 26 CO 0.03 -0.01 -0.14 0.11 0.09 0.00 0.00 178.44 178.52 1zts h LYS 27 N 0.33 -0.15 -0.30 1.13 1.57 -1.24 0.14 116.57 118.05 1zts h LYS 27 Ca 0.46 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.33 1zts h LYS 27 Cb 0.80 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 1zts h LYS 27 CO -0.51 -0.10 0.22 1.96 -0.57 0.00 0.00 179.45 180.45 1zts h GLN 28 N -0.16 0.00 0.01 3.15 4.20 -1.06 -2.09 115.11 119.16 1zts h GLN 28 Ca 0.10 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 1zts h GLN 28 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1zts h GLN 28 CO -0.26 0.00 -0.13 0.22 -0.67 0.00 0.00 178.83 177.99 1zts h ASP 29 N 0.00 0.11 -0.96 1.46 -0.00 -0.43 -3.13 116.42 113.46 1zts h ASP 29 Ca 0.14 -0.82 0.17 0.00 -0.00 0.00 0.00 57.03 56.52 1zts h ASP 29 Cb 0.57 -0.03 -0.09 0.00 -0.00 0.00 0.00 39.33 39.78 1zts h ASP 29 CO -0.00 0.92 0.61 0.40 -0.00 0.00 0.00 179.24 181.17 1zts h ILE 30 N -0.69 0.78 0.00 2.25 2.04 -0.19 0.28 117.51 121.98 1zts h ILE 30 Ca -0.02 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.51 1zts h ILE 30 Cb 0.94 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1zts h ILE 30 CO 0.03 0.14 -0.37 -0.07 0.00 0.00 0.00 178.15 177.88 1zts h LEU 31 N 0.74 0.00 -0.00 1.44 3.38 -1.47 -2.24 115.31 117.15 1zts h LEU 31 Ca 0.52 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.38 1zts h LEU 31 Cb 0.82 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1zts h LEU 31 CO -0.28 0.37 -0.48 -0.08 0.09 0.00 0.00 178.44 178.05 1zts h GLU 32 N 0.00 0.00 0.04 1.13 4.57 -0.45 -3.30 114.58 116.56 1zts h GLU 32 Ca -0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.03 1zts h GLU 32 Cb 0.70 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.30 1zts h GLU 32 CO 0.05 0.48 -0.60 0.00 -1.18 0.00 0.00 179.01 177.76 1zts h ALA 33 N 1.52 0.02 -0.11 2.92 0.00 -0.75 -3.22 119.26 119.64 1zts h ALA 33 Ca -0.00 -0.59 0.03 0.00 0.00 0.00 0.00 54.91 54.35 1zts h ALA 33 Cb 1.37 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1zts h ALA 33 CO 0.06 0.31 0.21 0.00 0.00 0.00 0.00 179.25 179.84 1zts h THR 34 N -0.25 0.23 0.00 0.00 1.03 -1.51 0.76 112.91 113.17 1zts h THR 34 Ca -0.09 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.27 1zts h THR 34 Cb 1.35 0.81 -0.01 0.00 -1.07 0.00 0.00 68.15 69.24 1zts h THR 34 CO 0.12 0.00 -0.22 0.00 -0.01 0.00 0.00 175.52 175.40 1zts h ALA 35 N 1.68 1.52 0.05 0.00 0.00 -1.63 -1.49 119.26 119.38 1zts h ALA 35 Ca 0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1zts h ALA 35 Cb 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1zts h ALA 35 CO -0.00 0.28 -0.02 0.22 0.00 0.00 0.00 179.25 179.73 1zts h ASP 36 N 0.00 -0.05 -0.37 0.00 3.58 -1.00 -2.45 116.42 116.12 1zts h ASP 36 Ca -0.00 -0.61 0.04 0.00 0.42 0.00 0.00 57.03 56.87 1zts h ASP 36 Cb 0.42 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.45 1zts h ASP 36 CO 0.03 0.68 0.15 0.40 -2.88 0.00 0.00 179.24 177.62 1zts h ILE 37 N -0.89 0.92 -0.38 2.25 2.04 -1.54 -1.84 117.51 118.07 1zts h ILE 37 Ca -0.01 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1zts h ILE 37 Cb 0.66 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1zts h ILE 37 CO 0.01 0.06 0.05 0.40 0.00 0.00 0.00 178.15 178.67 1zts h ILE 38 N 0.31 1.19 0.00 -0.67 2.04 -1.40 -1.69 117.51 117.30 1zts h ILE 38 Ca 0.17 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 1zts h ILE 38 Cb 0.12 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1zts h ILE 38 CO -0.15 0.26 -0.06 -0.07 0.00 0.00 0.00 178.15 178.12 1zts h LEU 39 N 0.56 0.00 0.07 1.44 3.38 -0.83 0.25 115.31 120.17 1zts h LEU 39 Ca 0.12 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 1zts h LEU 39 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1zts h LEU 39 CO 0.00 0.06 -0.61 0.11 0.09 0.00 0.00 178.44 178.09 1zts h LYS 40 N 0.00 0.14 0.00 1.13 1.57 -0.88 -3.33 116.57 115.21 1zts h LYS 40 Ca -0.00 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.49 1zts h LYS 40 Cb 0.27 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1zts h LYS 40 CO 0.01 1.12 -0.21 -0.39 -0.57 0.00 0.00 179.45 179.40 1zts h VAL 41 N -0.67 0.44 -1.35 0.50 -1.51 -1.26 -3.46 116.25 108.94 1zts h VAL 41 Ca -0.13 -1.23 -0.11 0.00 -1.23 0.00 0.00 66.70 64.00 1zts h VAL 41 Cb 1.37 1.90 0.01 0.00 -2.13 0.00 0.00 31.29 32.44 1zts h VAL 41 CO 0.04 0.21 -0.16 0.61 -1.23 0.00 0.00 177.57 177.04 1zts n GLY 42 N 0.50 0.30 3.64 5.19 0.00 0.85 -4.41 105.19 111.26 1zts n GLY 42 Ca 0.01 -0.57 -0.05 0.00 0.00 0.00 0.00 46.02 45.41 1zts n GLY 42 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1zts s HIS 43 N -2.58 -0.22 0.04 1.61 -3.43 -1.11 -5.05 115.29 104.54 1zts s HIS 43 Ca 0.06 0.55 0.01 0.00 -0.80 0.00 0.00 55.06 54.87 1zts s HIS 43 Cb -0.03 0.43 0.01 0.00 -1.43 0.00 0.00 32.58 31.56 1zts s HIS 43 CO 0.07 -0.11 0.05 -0.40 -2.00 0.00 0.00 174.74 172.35 1zts n ASP 44 N 1.83 0.44 -3.08 7.38 3.85 -1.26 -4.73 116.55 120.97 1zts n ASP 44 Ca -0.11 -1.11 -0.23 0.00 -0.71 0.00 0.00 54.79 52.63 1zts n ASP 44 Cb 0.56 -0.02 -0.04 0.00 -1.35 0.00 0.00 41.12 40.27 1zts n ASP 44 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 1zts n PHE 45 N -0.93 2.31 0.07 2.11 3.72 -1.26 -4.87 117.46 118.60 1zts n PHE 45 Ca 0.01 -3.92 -0.22 0.00 -0.05 0.00 0.00 57.45 53.27 1zts n PHE 45 Cb 0.04 -0.46 -0.15 0.00 -0.94 0.00 0.00 39.48 37.97 1zts n PHE 45 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1zts h SER 46 N 3.12 0.57 -1.49 4.37 4.64 -1.93 -3.38 113.55 119.45 1zts h SER 46 Ca 0.12 -0.92 -0.67 0.00 -0.47 0.00 0.00 61.79 59.85 1zts h SER 46 Cb 0.71 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1zts h SER 46 CO 0.68 1.58 1.21 0.47 -0.87 0.00 0.00 176.83 179.90 1zts n ASP 47 N -3.91 2.61 0.29 4.97 9.92 -1.26 -4.79 116.55 124.37 1zts n ASP 47 Ca -0.19 0.71 0.18 0.00 -0.53 0.00 0.00 54.79 54.97 1zts n ASP 47 Cb 0.95 -1.28 0.97 0.00 -0.64 0.00 0.00 41.12 41.12 1zts n ASP 47 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1zts h ALA 48 N 10.42 1.42 -0.61 2.24 0.00 -2.02 0.11 119.26 130.83 1zts h ALA 48 Ca -0.38 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.32 1zts h ALA 48 Cb 1.30 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.98 1zts h ALA 48 CO 0.98 -0.17 0.26 -0.85 0.00 0.00 0.00 179.25 179.48 1zts n GLU 49 N -3.41 2.97 -2.69 0.00 0.28 -1.26 -4.36 120.64 112.18 1zts n GLU 49 Ca -0.01 -2.38 -0.05 0.00 -0.16 0.00 0.00 57.16 54.56 1zts n GLU 49 Cb 0.22 -2.00 0.10 0.00 1.43 0.00 0.00 31.44 31.19 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 -0.16 -1.39 -3.40 -1.84 -0.00 0.39 -5.07 117.16 105.69 1zts n TYR 50 Ca 0.34 -1.29 -0.32 0.00 -0.00 0.00 0.00 57.90 56.63 1zts n TYR 50 Cb 1.20 1.36 -0.06 0.00 -0.00 0.00 0.00 39.34 41.84 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 0.41 3.10 -2.26 2.97 5.41 -1.22 -4.61 119.36 123.17 1zts n ILE 51 Ca -0.02 -5.34 -0.35 0.00 1.00 0.00 0.00 62.75 58.04 1zts n ILE 51 Cb 0.74 -2.15 0.00 0.00 -0.71 0.00 0.00 39.64 37.52 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 -2.29 3.37 -0.50 0.38 0.04 -1.26 -5.03 135.00 129.71 1zts s PRO 52 Ca 0.35 1.62 0.07 0.00 0.04 0.00 0.00 61.00 63.07 1zts s PRO 52 Cb 0.07 -2.02 0.19 0.00 0.04 0.00 0.00 34.50 32.79 1zts s PRO 52 CO -0.02 -0.83 0.68 -0.11 0.04 0.00 0.00 177.00 176.76 1zts n LEU 53 N -1.27 -2.97 0.00 -3.56 7.94 -1.26 -5.06 117.00 110.82 1zts n LEU 53 Ca 0.11 -3.17 -0.01 0.00 -1.11 0.00 0.00 56.01 51.83 1zts n LEU 53 Cb 0.51 0.73 0.01 0.00 0.53 0.00 0.00 43.42 45.20 1zts n LEU 53 CO 0.42 1.93 0.02 -0.81 -1.11 0.00 0.00 177.39 177.85 1zts n PRO 54 N 2.83 -1.12 0.13 1.96 -0.04 -1.26 -4.90 135.00 132.60 1zts n PRO 54 Ca 0.19 -0.07 0.08 0.00 -0.04 0.00 0.00 63.50 63.66 1zts n PRO 54 Cb 0.55 -0.07 0.04 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.03 0.54 4.81 -2.00 -3.25 114.58 114.65 1zts h GLU 55 Ca -0.02 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 1zts h GLU 55 Cb 0.05 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.44 1zts h GLU 55 CO 0.01 0.16 -0.30 1.79 -0.73 0.00 0.00 179.01 179.94 1zts h THR 56 N 0.00 1.48 -0.21 0.32 1.35 -1.93 -3.14 112.91 110.77 1zts h THR 56 Ca -0.03 -1.85 0.00 0.00 -0.55 0.00 0.00 66.41 63.98 1zts h THR 56 Cb 1.19 2.56 -0.01 0.00 -1.73 0.00 0.00 68.15 70.16 1zts h THR 56 CO 0.02 0.52 0.13 0.58 -0.25 0.00 0.00 175.52 176.52 1zts h VAL 57 N -0.33 1.07 -1.00 6.82 2.07 -1.82 -0.63 116.25 122.44 1zts h VAL 57 Ca -0.03 -0.17 0.18 0.00 0.82 0.00 0.00 66.70 67.50 1zts h VAL 57 Cb 1.01 0.80 -0.10 0.00 -1.52 0.00 0.00 31.29 31.48 1zts h VAL 57 CO 0.06 0.07 0.62 -0.09 0.02 0.00 0.00 177.57 178.25 1zts h ARG 58 N 0.27 0.76 -0.01 1.57 2.43 -1.66 -0.21 114.38 117.54 1zts h ARG 58 Ca 0.08 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1zts h ARG 58 Cb 0.00 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 1zts h ARG 58 CO -0.02 0.50 -0.03 1.25 -1.51 0.00 0.00 179.97 180.16 1zts h LEU 59 N 0.78 0.04 -0.78 3.80 5.85 -1.40 -2.21 115.31 121.41 1zts h LEU 59 Ca 0.55 -0.65 0.14 0.00 0.84 0.00 0.00 57.88 58.76 1zts h LEU 59 Cb 0.84 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.76 1zts h LEU 59 CO -0.34 0.69 0.34 0.00 -0.34 0.00 0.00 178.44 178.79 1zts h ALA 60 N 0.36 1.11 -0.23 1.25 0.00 -0.34 0.67 119.26 122.08 1zts h ALA 60 Ca -0.00 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1zts h ALA 60 Cb 0.68 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1zts h ALA 60 CO 0.01 -0.18 -0.45 1.25 0.00 0.00 0.00 179.25 179.88 1zts h LEU 61 N 0.49 0.62 -0.68 0.00 7.12 -1.11 -1.46 115.31 120.29 1zts h LEU 61 Ca 0.42 -0.29 -0.06 0.00 0.13 0.00 0.00 57.88 58.08 1zts h LEU 61 Cb 0.63 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 40.55 1zts h LEU 61 CO -0.39 0.98 0.18 -0.07 -0.13 0.00 0.00 178.44 179.01 1zts h LEU 62 N 0.46 1.01 -0.24 2.25 3.38 -0.39 0.25 115.31 122.03 1zts h LEU 62 Ca 0.03 -0.23 -0.21 0.00 0.09 0.00 0.00 57.88 57.57 1zts h LEU 62 Cb 0.97 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.46 1zts h LEU 62 CO 0.09 0.97 -0.73 0.11 0.09 0.00 0.00 178.44 178.97 1zts h LYS 63 N 1.00 0.72 -0.35 1.13 1.57 -0.88 -3.09 116.57 116.67 1zts h LYS 63 Ca 0.21 -0.56 -0.15 0.00 -1.87 0.00 0.00 60.65 58.28 1zts h LYS 63 Cb 0.34 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1zts h LYS 63 CO -0.00 1.18 -0.38 -0.07 -0.57 0.00 0.00 179.45 179.61 1zts h LEU 64 N 0.50 0.94 -1.42 2.94 3.38 -1.10 -2.75 115.31 117.79 1zts h LEU 64 Ca -0.04 -0.48 0.08 0.00 0.09 0.00 0.00 57.88 57.53 1zts h LEU 64 Cb 1.35 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 1zts h LEU 64 CO 0.15 1.22 0.47 0.77 0.09 0.00 0.00 178.44 181.14 1zts h SER 65 N 0.67 0.60 0.64 -0.43 4.64 -0.53 -0.48 113.55 118.66 1zts h SER 65 Ca 0.05 0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.21 1zts h SER 65 Cb 0.97 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 1zts h SER 65 CO 0.09 0.38 -0.76 -0.61 -0.87 0.00 0.00 176.83 175.06 1zts h GLN 66 N 0.68 0.09 -0.08 4.77 4.15 -1.45 -0.86 115.11 122.40 1zts h GLN 66 Ca 0.32 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.63 1zts h GLN 66 Cb 0.36 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 1zts h GLN 66 CO -0.11 0.80 -0.03 0.35 -1.93 0.00 0.00 178.83 177.91 1zts h PHE 67 N 0.06 0.19 -0.03 3.99 3.04 -0.83 -2.27 116.94 121.09 1zts h PHE 67 Ca -0.02 -0.04 -0.03 0.00 3.98 0.00 0.00 57.97 61.86 1zts h PHE 67 Cb 1.33 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.80 1zts h PHE 67 CO 0.01 0.51 -0.10 1.88 -2.02 0.00 0.00 178.31 178.60 1zts h TYR 68 N -0.18 0.15 -0.71 0.41 0.05 -1.34 -3.12 116.97 112.23 1zts h TYR 68 Ca 0.02 -0.06 0.19 0.00 0.05 0.00 0.00 58.73 58.93 1zts h TYR 68 Cb 0.45 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.13 1zts h TYR 68 CO 0.06 0.72 0.50 0.00 -1.05 0.00 0.00 178.16 178.39 1zts h ALA 69 N 0.40 2.53 -0.10 3.88 0.00 -1.23 0.13 119.26 124.88 1zts h ALA 69 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1zts h ALA 69 Cb 0.72 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1zts h ALA 69 CO 0.02 -0.74 -0.05 1.25 0.00 0.00 0.00 179.25 179.74 1zts h LEU 70 N 0.10 0.21 -3.17 0.00 5.85 -1.37 -3.04 115.31 113.88 1zts h LEU 70 Ca 0.34 -0.42 -0.16 0.00 0.84 0.00 0.00 57.88 58.49 1zts h LEU 70 Cb 1.23 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 42.10 1zts h LEU 70 CO -0.04 0.58 0.20 2.30 -0.34 0.00 0.00 178.44 181.15 1zts n ILE 71 N -4.73 2.33 -0.04 4.05 -5.35 -0.42 -3.17 119.36 112.04 1zts n ILE 71 Ca -0.07 -1.22 -0.04 0.00 -0.27 0.00 0.00 62.75 61.15 1zts n ILE 71 Cb 0.27 -0.44 -0.06 0.00 -1.74 0.00 0.00 39.64 37.66 1zts n ILE 71 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1zts n ASN 72 N -0.02 2.97 -0.00 7.28 4.13 0.33 -4.72 115.26 125.23 1zts n ASN 72 Ca 0.31 -0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.62 1zts n ASN 72 Cb 1.14 0.66 -0.08 0.00 -1.54 0.00 0.00 39.78 39.96 1zts n ASN 72 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1zts n GLY 73 N 2.52 -0.45 3.51 7.41 0.00 -1.18 -4.98 105.19 112.02 1zts n GLY 73 Ca -0.14 -0.23 -0.50 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.84 2.41 -3.48 1.61 2.03 -1.19 -4.81 116.55 111.29 1zts n ASP 74 Ca -0.02 0.51 -0.38 0.00 0.52 0.00 0.00 54.79 55.42 1zts n ASP 74 Cb 0.26 -1.29 -0.02 0.00 -0.72 0.00 0.00 41.12 39.34 1zts n ASP 74 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1zts n GLU 75 N 7.85 2.77 0.00 -0.67 -0.58 -1.26 -3.11 120.64 125.64 1zts n GLU 75 Ca 0.37 -2.15 0.00 0.00 -0.42 0.00 0.00 57.16 54.96 1zts n GLU 75 Cb 0.25 -2.93 0.00 0.00 -0.57 0.00 0.00 31.44 28.19 1zts n GLU 75 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1zts n SER 76 N 5.20 0.00 -4.78 1.62 2.88 -1.26 -5.13 113.62 112.15 1zts n SER 76 Ca 0.59 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.76 1zts n SER 76 Cb 0.30 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.69 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 -0.97 4.24 -0.21 2.46 1.01 -1.18 -4.98 121.20 121.57 1zts s ILE 77 Ca 0.00 1.79 -0.09 0.00 0.00 0.00 0.00 60.65 62.35 1zts s ILE 77 Cb 0.00 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 1zts s ILE 77 CO 0.00 0.17 0.11 -0.63 0.00 0.00 0.00 174.94 174.58 1zts s ILE 78 N -1.59 5.09 0.13 2.92 1.09 -1.26 -4.96 121.20 122.62 1zts s ILE 78 Ca 0.49 0.08 -0.24 0.00 -1.10 0.00 0.00 60.65 59.88 1zts s ILE 78 Cb -0.19 -3.33 0.07 0.00 -1.06 0.00 0.00 42.46 37.96 1zts s ILE 78 CO 0.24 0.42 0.67 -1.59 -0.10 0.00 0.00 174.94 174.58 1zts s LYS 79 N 0.62 1.22 -0.06 2.79 0.00 -1.26 -4.14 119.74 118.91 1zts s LYS 79 Ca 0.06 -0.47 -0.04 0.00 0.00 0.00 0.00 55.97 55.51 1zts s LYS 79 Cb -0.12 0.54 0.02 0.00 0.00 0.00 0.00 37.83 38.27 1zts s LYS 79 CO 0.01 -0.53 0.09 0.41 0.00 0.00 0.00 175.35 175.32 1zts n GLY 80 N -0.36 -3.82 0.70 0.59 0.00 -1.26 -5.05 105.19 95.99 1zts n GLY 80 Ca -0.14 0.39 -0.03 0.00 0.00 0.00 0.00 46.02 46.24 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 0.62 0.00 -3.98 1.61 0.18 -1.26 -5.14 117.16 109.20 1zts n TYR 81 Ca -0.15 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.67 1zts n TYR 81 Cb 0.23 -0.11 0.01 0.00 -0.38 0.00 0.00 39.34 39.09 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 -2.06 0.00 0.32 -3.48 -4.23 -1.26 -5.17 115.64 99.76 1zts s THR 82 Ca -0.04 -0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 1zts s THR 82 Cb 0.02 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.97 1zts s THR 82 CO 0.06 0.00 0.00 0.41 -0.54 0.00 0.00 174.62 174.55 1zts n THR 83 N -0.91 0.00 -0.05 3.99 -1.04 -1.26 -4.85 114.28 110.16 1zts n THR 83 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1zts n THR 83 Cb 0.59 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 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 -4.12 -1.87 -3.40 -2.82 2.13 -1.26 -4.92 120.64 104.38 1zts n GLU 84 Ca 0.01 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.39 1zts n GLU 84 Cb 0.63 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.32 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 -2.96 3.74 0.04 5.31 -0.14 -1.26 -4.83 119.74 119.64 1zts s LYS 85 Ca 0.00 -2.88 0.28 0.00 -1.36 0.00 0.00 55.97 52.01 1zts s LYS 85 Cb 0.00 -4.37 1.03 0.00 -1.68 0.00 0.00 37.83 32.81 1zts s LYS 85 CO 0.00 -1.26 1.81 -0.89 -0.76 0.00 0.00 175.35 174.25 1zts n ILE 86 N 3.22 0.11 -2.80 2.17 -0.00 -1.26 -4.95 119.36 115.86 1zts n ILE 86 Ca 0.18 -0.06 -0.10 0.00 -0.00 0.00 0.00 62.75 62.78 1zts n ILE 86 Cb 0.42 -0.39 0.05 0.00 -0.00 0.00 0.00 39.64 39.72 1zts n ILE 86 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1zts n GLY 87 N 1.46 -0.12 3.13 7.39 0.00 -1.26 -5.02 105.19 110.77 1zts n GLY 87 Ca 0.06 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.36 -2.63 -2.54 1.61 -0.08 -1.26 -4.88 116.55 104.42 1zts n ASP 88 Ca -0.15 -1.02 -0.26 0.00 -1.51 0.00 0.00 54.79 51.85 1zts n ASP 88 Cb 0.60 -0.92 -0.07 0.00 2.34 0.00 0.00 41.12 43.06 1zts n ASP 88 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1zts n TYR 89 N -4.97 1.41 -2.88 -0.67 4.02 -1.26 -4.61 117.16 108.20 1zts n TYR 89 Ca 0.14 -2.00 -0.28 0.00 -0.01 0.00 0.00 57.90 55.74 1zts n TYR 89 Cb 0.55 -1.53 -0.03 0.00 -0.02 0.00 0.00 39.34 38.31 1zts n TYR 89 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1zts n SER 90 N 1.44 4.77 -1.35 7.72 7.64 -1.26 -4.72 113.62 127.85 1zts n SER 90 Ca 0.50 -3.69 0.03 0.00 1.01 0.00 0.00 58.87 56.72 1zts n SER 90 Cb 0.58 -0.61 0.08 0.00 -1.01 0.00 0.00 64.21 63.25 1zts n SER 90 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1zts n TYR 91 N -0.25 0.22 -1.63 1.43 0.53 -1.26 -4.13 117.16 112.07 1zts n TYR 91 Ca 0.33 -1.02 -0.47 0.00 -1.02 0.00 0.00 57.90 55.72 1zts n TYR 91 Cb 0.39 -0.20 -0.04 0.00 -1.03 0.00 0.00 39.34 38.47 1zts n TYR 91 CO 0.00 0.00 0.00 2.41 -1.02 0.00 0.00 176.86 178.25 1zts n THR 92 N -0.14 0.76 -2.93 -0.72 -1.04 -1.26 -4.25 114.28 104.70 1zts n THR 92 Ca 0.12 -0.19 -0.05 0.00 -2.04 0.00 0.00 64.05 61.89 1zts n THR 92 Cb 0.97 -1.17 0.02 0.00 -1.82 0.00 0.00 70.33 68.33 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 2.24 0.00 0.22 -4.42 4.77 -1.15 -4.32 117.00 114.35 1zts n LEU 93 Ca 0.14 -0.58 0.08 0.00 -0.03 0.00 0.00 56.01 55.61 1zts n LEU 93 Cb 0.27 -0.11 0.53 0.00 -2.33 0.00 0.00 43.42 41.79 1zts n LEU 93 CO 0.62 -0.56 0.85 1.23 -1.33 0.00 0.00 177.39 178.20 1zts h GLY 94 N 0.00 0.00 -3.38 -0.72 0.00 -1.93 -2.45 103.07 94.60 1zts h GLY 94 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 46.96 1zts h GLY 94 CO 0.09 0.00 0.33 1.22 0.00 0.00 0.00 176.54 178.18 1zts n ASP 95 N -3.87 3.99 -2.73 0.19 10.43 -1.26 -4.91 116.55 118.40 1zts n ASP 95 Ca -0.02 -3.44 -0.17 0.00 2.57 0.00 0.00 54.79 53.73 1zts n ASP 95 Cb 0.32 -0.75 -0.00 0.00 1.84 0.00 0.00 41.12 42.54 1zts n ASP 95 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1zts n GLY 96 N -0.70 -0.50 3.77 0.44 0.00 -0.92 -4.93 105.19 102.35 1zts n GLY 96 Ca 0.45 0.04 -0.38 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.28 6.91 -1.25 1.61 0.01 -1.26 -4.81 113.70 112.64 1zts s SER 97 Ca 0.13 1.08 -0.16 0.00 1.31 0.00 0.00 55.95 58.31 1zts s SER 97 Cb -0.07 -2.33 0.11 0.00 0.21 0.00 0.00 66.02 63.94 1zts s SER 97 CO 0.16 0.13 1.59 -0.55 0.41 0.00 0.00 173.24 174.99 1zts s SER 98 N -0.27 6.92 -0.34 2.44 0.15 -1.26 -2.91 113.70 118.43 1zts s SER 98 Ca 0.29 -2.63 -0.34 0.00 0.70 0.00 0.00 55.95 53.97 1zts s SER 98 Cb -0.18 -2.50 -0.10 0.00 -1.71 0.00 0.00 66.02 61.53 1zts s SER 98 CO 0.16 -1.01 2.21 -0.11 1.20 0.00 0.00 173.24 175.69 1zts n LEU 99 N 7.26 2.26 -4.88 3.45 7.94 -1.26 -4.93 117.00 126.85 1zts n LEU 99 Ca 0.43 0.35 -0.36 0.00 -1.11 0.00 0.00 56.01 55.32 1zts n LEU 99 Cb 0.45 -1.31 -0.06 0.00 0.53 0.00 0.00 43.42 43.03 1zts n LEU 99 CO 0.70 -0.75 -0.14 -1.58 -1.11 0.00 0.00 177.39 174.52 1zts s GLN 100 N 6.33 3.49 0.93 1.96 0.74 -1.26 -4.92 119.66 126.93 1zts s GLN 100 Ca 1.08 -0.11 -0.11 0.00 0.05 0.00 0.00 55.36 56.27 1zts s GLN 100 Cb -0.77 -3.17 0.09 0.00 1.10 0.00 0.00 33.01 30.25 1zts s GLN 100 CO 0.46 0.75 0.78 1.63 -0.55 0.00 0.00 175.29 178.37 1zts n LYS 101 N 1.77 -0.35 -1.96 1.67 5.02 -1.26 -4.96 118.16 118.10 1zts n LYS 101 Ca -0.18 -0.05 -0.34 0.00 -2.02 0.00 0.00 58.31 55.73 1zts n LYS 101 Cb 0.54 -2.12 0.03 0.00 -0.02 0.00 0.00 35.03 33.46 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 -4.11 3.02 -1.27 1.97 0.04 -1.26 -4.94 135.00 128.45 1zts s PRO 102 Ca 0.62 1.48 -0.15 0.00 0.04 0.00 0.00 61.00 62.99 1zts s PRO 102 Cb -0.22 -1.97 0.12 0.00 0.04 0.00 0.00 34.50 32.46 1zts s PRO 102 CO 0.62 -1.09 1.66 -0.25 0.04 0.00 0.00 177.00 177.98 1zts n ASP 103 N -1.97 5.00 -1.51 6.66 9.92 -1.26 -4.70 116.55 128.69 1zts n ASP 103 Ca 0.11 -2.95 -0.02 0.00 -0.53 0.00 0.00 54.79 51.40 1zts n ASP 103 Cb 0.52 -1.65 0.27 0.00 -0.64 0.00 0.00 41.12 39.62 1zts n ASP 103 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1zts n VAL 104 N 5.33 2.68 -0.06 2.53 0.24 -1.26 -4.56 118.33 123.22 1zts n VAL 104 Ca 0.43 -1.94 -0.14 0.00 -2.04 0.00 0.00 64.34 60.65 1zts n VAL 104 Cb 0.43 -0.32 -0.06 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 2.05 0.70 0.00 6.34 -0.00 -2.00 -3.02 116.97 121.05 1zts h TYR 105 Ca 0.19 -0.24 -0.06 0.00 -0.00 0.00 0.00 58.73 58.61 1zts h TYR 105 Cb 1.95 -0.13 -0.01 0.00 -0.00 0.00 0.00 36.73 38.54 1zts h TYR 105 CO 1.01 0.97 -0.27 0.00 -0.00 0.00 0.00 178.16 179.87 1zts h ALA 106 N 0.60 1.04 0.23 1.82 0.00 -1.99 -2.29 119.26 118.66 1zts h ALA 106 Ca 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1zts h ALA 106 Cb 0.92 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1zts h ALA 106 CO 0.07 0.34 -0.11 -0.07 0.00 0.00 0.00 179.25 179.49 1zts h LEU 107 N 0.00 -0.26 -0.07 0.00 3.38 -1.83 -2.84 115.31 113.68 1zts h LEU 107 Ca -0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1zts h LEU 107 Cb 0.77 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1zts h LEU 107 CO 0.04 0.04 -0.00 2.30 0.09 0.00 0.00 178.44 180.91 1zts n ILE 108 N -5.11 0.00 0.07 1.22 -5.35 -1.15 -3.78 119.36 105.27 1zts n ILE 108 Ca -0.09 -0.02 0.21 0.00 -0.27 0.00 0.00 62.75 62.57 1zts n ILE 108 Cb 0.23 -0.42 0.74 0.00 -1.74 0.00 0.00 39.64 38.45 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 0.18 0.00 0.00 6.28 3.64 -1.15 0.29 116.57 125.81 1zts h LYS 109 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1zts h LYS 109 Cb 0.08 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1zts h LYS 109 CO 0.00 0.00 -0.01 -0.44 -2.27 0.00 0.00 179.45 176.73 1zts h ASP 110 N 0.00 0.00 -0.72 4.20 5.19 -1.76 -2.76 116.42 120.58 1zts h ASP 110 Ca 0.21 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.25 1zts h ASP 110 Cb 1.05 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 40.15 1zts h ASP 110 CO -0.00 0.01 -1.03 -1.22 -3.12 0.00 0.00 179.24 173.89 1zts n TYR 111 N -3.58 1.80 -5.04 4.55 4.01 0.10 -5.07 117.16 113.93 1zts n TYR 111 Ca -0.03 -2.38 -0.32 0.00 -0.16 0.00 0.00 57.90 55.02 1zts n TYR 111 Cb 0.10 -0.27 -0.14 0.00 -0.31 0.00 0.00 39.34 38.72 1zts n TYR 111 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1zts s VAL 112 N -4.03 2.58 -0.83 -0.72 1.01 -1.04 -4.89 120.40 112.47 1zts s VAL 112 Ca 0.35 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 1zts s VAL 112 Cb 0.38 -1.98 0.21 0.00 0.00 0.00 0.00 36.38 34.99 1zts s VAL 112 CO -0.02 0.55 0.71 -0.75 0.00 0.00 0.00 175.10 175.59 1zts s LYS 113 N -0.77 3.16 0.58 2.72 2.20 -1.26 -5.00 119.74 121.37 1zts s LYS 113 Ca 0.11 -3.03 -0.10 0.00 -0.36 0.00 0.00 55.97 52.60 1zts s LYS 113 Cb -0.10 -3.96 0.14 0.00 -1.51 0.00 0.00 37.83 32.40 1zts s LYS 113 CO 0.00 -1.24 0.51 -0.35 -0.36 0.00 0.00 175.35 173.92 1zts n PRO 114 N 2.76 -2.02 -3.66 4.03 -0.04 -1.26 -4.41 135.00 130.40 1zts n PRO 114 Ca 0.18 -0.82 -0.22 0.00 -0.04 0.00 0.00 63.50 62.59 1zts n PRO 114 Cb 0.38 -0.77 0.05 0.00 -0.04 0.00 0.00 33.50 33.12 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 -3.88 -1.84 -3.91 0.55 0.00 -1.26 -4.96 120.51 105.21 1zts n ALA 115 Ca -0.10 -0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.01 1zts n ALA 115 Cb 0.28 -2.78 -0.13 0.00 0.00 0.00 0.00 19.45 16.81 1zts n ALA 115 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1zts s ASP 116 N -4.10 4.58 0.31 0.00 -1.08 -1.26 -5.09 116.67 110.02 1zts s ASP 116 Ca 0.16 -3.30 0.00 0.00 -0.52 0.00 0.00 52.55 48.89 1zts s ASP 116 Cb -0.08 -1.66 0.00 0.00 -1.46 0.00 0.00 42.92 39.72 1zts s ASP 116 CO 0.79 -0.19 0.00 -0.81 0.52 0.00 0.00 175.17 175.48 1zts n PRO 117 N 2.73 0.37 -0.91 4.34 -0.04 -1.26 -4.79 135.00 135.44 1zts n PRO 117 Ca 0.10 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.38 1zts n PRO 117 Cb 0.33 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.71 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 -0.93 5.41 -0.00 3.54 4.64 -1.26 -3.93 116.55 124.02 1zts n ASP 118 Ca 0.00 -2.36 0.07 0.00 -1.38 0.00 0.00 54.79 51.12 1zts n ASP 118 Cb 0.00 -1.23 -0.09 0.00 -1.04 0.00 0.00 41.12 38.76 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 3.13 0.34 0.00 -2.67 -0.00 -1.26 -5.00 117.00 111.54 1zts n LEU 119 Ca 0.47 -0.26 0.00 0.00 -0.00 0.00 0.00 56.01 56.22 1zts n LEU 119 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1zts n LEU 119 CO 0.42 0.09 0.00 1.21 -0.00 0.00 0.00 177.39 179.10 1zts n GLU 120 N -1.65 -0.76 0.00 1.47 2.13 -1.25 -4.91 120.64 115.66 1zts n GLU 120 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1zts n GLU 120 Cb 0.29 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.00 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 0.21 -3.23 1.41 8.31 0.00 -1.26 -4.98 105.19 105.65 1zts n GLY 121 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.76 -3.86 -1.33 -0.61 5.41 -1.26 -4.71 119.36 111.25 1zts n ILE 122 Ca 0.00 1.78 -0.11 0.00 1.00 0.00 0.00 62.75 65.41 1zts n ILE 122 Cb 0.00 -2.61 -0.05 0.00 -0.71 0.00 0.00 39.64 36.27 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 -1.61 -1.37 -0.12 0.38 1.02 -1.26 -4.84 120.64 112.84 1zts n GLU 123 Ca 0.00 0.87 -0.25 0.00 -0.02 0.00 0.00 57.16 57.76 1zts n GLU 123 Cb 0.19 -5.11 -0.09 0.00 -0.02 0.00 0.00 31.44 26.41 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 1.21 1.04 0.20 0.62 0.00 -1.26 -4.11 120.51 118.22 1zts n ALA 124 Ca -0.11 -0.91 0.08 0.00 0.00 0.00 0.00 53.44 52.50 1zts n ALA 124 Cb 0.52 -0.05 0.40 0.00 0.00 0.00 0.00 19.45 20.32 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 0.00 0.00 0.00 3.64 -1.99 -2.89 116.57 114.33 1zts h LYS 125 Ca -0.53 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.75 1zts h LYS 125 Cb 1.44 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.25 1zts h LYS 125 CO -0.32 0.30 -0.45 0.28 -2.27 0.00 0.00 179.45 176.99 1zts h VAL 126 N 0.00 1.28 0.00 2.00 2.07 -1.96 0.25 116.25 119.89 1zts h VAL 126 Ca -0.00 -1.58 -0.10 0.00 0.82 0.00 0.00 66.70 65.84 1zts h VAL 126 Cb 0.82 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 1zts h VAL 126 CO 0.04 0.44 -0.49 0.03 0.02 0.00 0.00 177.57 177.61 1zts h ARG 127 N 0.00 0.00 0.00 1.57 3.08 -1.66 0.19 114.38 117.56 1zts h ARG 127 Ca -0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.76 1zts h ARG 127 Cb 0.82 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.82 1zts h ARG 127 CO 0.06 0.49 -1.97 0.00 -1.07 0.00 0.00 179.97 177.48 1zts n MET 128 N -3.74 0.66 0.12 0.04 0.00 -1.05 -4.20 117.12 108.96 1zts n MET 128 Ca -0.01 0.11 0.01 0.00 0.00 0.00 0.00 57.70 57.82 1zts n MET 128 Cb 0.54 -1.66 0.00 0.00 0.00 0.00 0.00 33.22 32.11 1zts n MET 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1zts h ARG 129 N 0.00 0.00 -1.03 3.17 3.08 -0.49 -3.26 114.38 115.86 1zts h ARG 129 Ca -0.35 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.16 1zts h ARG 129 Cb 1.96 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 31.73 1zts h ARG 129 CO 0.05 0.52 0.68 0.43 -1.07 0.00 0.00 179.97 180.58 1zts n SER 130 N -3.20 5.11 -4.91 7.04 7.64 0.05 -4.95 113.62 120.40 1zts n SER 130 Ca 0.01 -3.56 -0.30 0.00 1.01 0.00 0.00 58.87 56.03 1zts n SER 130 Cb 0.76 -0.88 -0.04 0.00 -1.01 0.00 0.00 64.21 63.04 1zts n SER 130 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1zts s ILE 131 N -3.56 5.27 0.00 0.44 2.07 -1.23 -4.98 121.20 119.21 1zts s ILE 131 Ca 0.55 -0.51 0.00 0.00 -1.41 0.00 0.00 60.65 59.28 1zts s ILE 131 Cb 0.45 -3.60 0.00 0.00 0.13 0.00 0.00 42.46 39.44 1zts s ILE 131 CO 0.06 0.08 0.78 0.18 -1.91 0.00 0.00 174.94 174.13 1zts n LEU 132 N 0.10 0.00 0.00 8.50 4.77 -1.26 -4.84 117.00 124.27 1zts n LEU 132 Ca -0.06 0.78 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 1zts n LEU 132 Cb 0.52 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1zts n LEU 132 CO 0.50 -0.28 0.00 -1.84 -1.33 0.00 0.00 177.39 174.44 1zts n GLU 133 N -1.66 0.00 0.00 3.23 0.28 -1.26 -5.16 120.64 116.07 1zts n GLU 133 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1zts n GLU 133 Cb 0.00 -0.05 0.00 0.00 1.43 0.00 0.00 31.44 32.82 1zts n GLU 133 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 1zts n HIS 134 N -2.40 -1.95 0.05 -1.84 -0.00 -1.26 -4.42 115.22 103.40 1zts n HIS 134 Ca 0.00 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.96 1zts n HIS 134 Cb 0.00 0.28 -0.14 0.00 -0.12 0.00 0.00 29.99 30.01 1zts n HIS 134 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1zts h HIS 135 N 0.00 0.62 -3.62 1.57 3.86 -2.02 -3.47 115.15 112.09 1zts h HIS 135 Ca 0.00 -0.45 -0.53 0.00 -1.16 0.00 0.00 60.37 58.22 1zts h HIS 135 Cb 0.00 -0.02 0.21 0.00 1.06 0.00 0.00 27.41 28.65 1zts h HIS 135 CO 0.00 1.67 -0.31 0.72 0.86 0.00 0.00 177.93 180.87 1zts n HIS 136 N -3.66 -0.66 -3.37 2.45 8.25 -1.26 -5.03 115.22 111.94 1zts n HIS 136 Ca -0.26 0.30 -0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1zts n HIS 136 Cb 1.03 -1.87 -0.00 0.00 1.12 0.00 0.00 29.99 30.27 1zts n HIS 136 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1zts n HIS 137 N -3.52 -0.63 -4.30 4.41 -0.00 -1.26 -5.04 115.22 104.88 1zts n HIS 137 Ca 0.09 -0.01 -0.20 0.00 0.46 0.00 0.00 57.72 58.06 1zts n HIS 137 Cb 0.52 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.32 1zts n HIS 137 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1zts n HIS 138 N -0.00 -0.77 0.98 1.57 8.25 -1.26 -5.24 115.22 118.75 1zts n HIS 138 Ca -0.00 -2.84 0.12 0.00 -0.26 0.00 0.00 57.72 54.74 1zts n HIS 138 Cb 0.00 0.28 0.10 0.00 1.12 0.00 0.00 29.99 31.49 1zts n HIS 138 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56