#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a0k h TRP 3 N 0.00 0.00 0.01 7.33 4.06 -2.01 -2.87 115.95 122.47 1a0k h TRP 3 Ca 0.00 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.74 1a0k h TRP 3 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.13 1a0k h TRP 3 CO 0.00 0.46 -1.00 0.37 -3.56 0.00 0.00 178.44 174.71 1a0k h GLN 4 N 0.00 0.02 0.00 0.49 5.75 -1.96 -3.00 115.11 116.40 1a0k h GLN 4 Ca -0.00 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.37 1a0k h GLN 4 Cb 1.01 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 1a0k h GLN 4 CO 0.06 1.00 -0.46 0.66 -2.65 0.00 0.00 178.83 177.43 1a0k h SER 5 N 0.00 0.00 -0.40 -0.69 4.64 -1.94 -2.37 113.55 112.78 1a0k h SER 5 Ca -0.02 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 1a0k h SER 5 Cb 1.75 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.83 1a0k h SER 5 CO 0.13 0.46 0.12 1.88 -0.87 0.00 0.00 176.83 178.55 1a0k h TYR 6 N 0.00 0.66 0.62 4.77 0.05 -1.44 0.63 116.97 122.26 1a0k h TYR 6 Ca -0.00 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.67 1a0k h TYR 6 Cb 0.93 -0.19 0.01 0.00 1.01 0.00 0.00 36.73 38.49 1a0k h TYR 6 CO 0.00 0.62 -0.30 0.28 -1.05 0.00 0.00 178.16 177.71 1a0k h VAL 7 N 0.51 0.00 -0.23 -2.88 2.07 -1.48 -0.75 116.25 113.49 1a0k h VAL 7 Ca 0.13 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1a0k h VAL 7 Cb 0.27 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1a0k h VAL 7 CO -0.00 0.00 -0.05 0.44 0.02 0.00 0.00 177.57 177.98 1a0k h ASP 8 N -0.96 0.34 0.00 0.57 3.32 -1.45 -0.88 116.42 117.36 1a0k h ASP 8 Ca -0.09 -0.06 -0.22 0.00 0.02 0.00 0.00 57.03 56.68 1a0k h ASP 8 Cb 0.64 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 1a0k h ASP 8 CO 0.14 0.44 -2.12 0.47 -1.72 0.00 0.00 179.24 176.45 1a0k n ASP 9 N -4.30 0.58 -0.13 6.45 8.00 0.22 -4.15 116.55 123.22 1a0k n ASP 9 Ca 0.00 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.23 1a0k n ASP 9 Cb 0.24 1.25 -0.11 0.00 -0.02 0.00 0.00 41.12 42.48 1a0k n ASP 9 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1a0k n HIS 10 N -2.50 0.37 0.07 1.24 8.25 -0.37 -4.24 115.22 118.04 1a0k n HIS 10 Ca -0.21 0.16 -0.16 0.00 -0.26 0.00 0.00 57.72 57.25 1a0k n HIS 10 Cb 0.90 -1.04 -0.14 0.00 1.12 0.00 0.00 29.99 30.83 1a0k n HIS 10 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1a0k h LEU 11 N -0.99 0.36 -2.91 2.41 3.38 -0.56 -3.34 115.31 113.66 1a0k h LEU 11 Ca -0.58 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 56.91 1a0k h LEU 11 Cb 1.51 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1a0k h LEU 11 CO -0.35 1.39 0.00 0.23 0.09 0.00 0.00 178.44 179.81 1a0k n MET 12 N -3.45 3.66 -2.57 1.13 2.81 -0.41 -4.40 117.12 113.90 1a0k n MET 12 Ca -0.14 -2.61 -0.41 0.00 -1.81 0.00 0.00 57.70 52.73 1a0k n MET 12 Cb 1.04 -1.91 -0.04 0.00 -0.71 0.00 0.00 33.22 31.60 1a0k n MET 12 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a0k s ASP 14 N 0.17 6.73 -0.61 0.00 1.11 -1.26 -4.72 116.67 118.10 1a0k s ASP 14 Ca 0.50 2.25 -0.07 0.00 0.18 0.00 0.00 52.55 55.41 1a0k s ASP 14 Cb -0.27 -2.55 0.16 0.00 1.07 0.00 0.00 42.92 41.32 1a0k s ASP 14 CO 0.32 -0.82 0.46 -0.69 1.18 0.00 0.00 175.17 175.62 1a0k s VAL 15 N 2.87 4.21 -0.35 -1.27 1.01 0.18 -4.48 120.40 122.57 1a0k s VAL 15 Ca 0.69 -2.46 -0.01 0.00 0.00 0.00 0.00 61.98 60.20 1a0k s VAL 15 Cb -0.34 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1a0k s VAL 15 CO 0.29 -0.87 0.09 1.21 0.00 0.00 0.00 175.10 175.82 1a0k n GLU 16 N 4.07 -0.82 0.00 2.72 0.00 -1.26 -3.45 120.64 121.91 1a0k n GLU 16 Ca 0.04 0.20 0.00 0.00 0.00 0.00 0.00 57.16 57.40 1a0k n GLU 16 Cb 0.41 -3.71 0.00 0.00 0.00 0.00 0.00 31.44 28.14 1a0k n GLU 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1a0k n GLY 17 N -0.94 3.16 3.91 8.31 0.00 -1.26 -5.04 105.19 113.32 1a0k n GLY 17 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 1a0k n GLY 17 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a0k s ASN 18 N -1.11 6.08 0.09 1.61 0.01 -1.22 -4.96 114.94 115.43 1a0k s ASN 18 Ca 0.00 0.04 -0.07 0.00 -0.71 0.00 0.00 52.86 52.12 1a0k s ASN 18 Cb 0.00 -1.75 -0.01 0.00 0.41 0.00 0.00 41.25 39.90 1a0k s ASN 18 CO 0.00 0.02 0.16 -1.38 -1.51 0.00 0.00 177.10 174.40 1a0k s HIS 19 N -1.83 0.23 0.56 2.20 -3.43 -1.26 0.47 115.29 112.23 1a0k s HIS 19 Ca 0.33 -0.67 -0.19 0.00 -0.80 0.00 0.00 55.06 53.73 1a0k s HIS 19 Cb -0.10 -0.11 -0.07 0.00 -1.43 0.00 0.00 32.58 30.87 1a0k s HIS 19 CO 0.27 -0.53 0.86 1.28 -2.00 0.00 0.00 174.74 174.62 1a0k n LEU 20 N -0.05 2.76 0.08 5.38 4.77 -1.26 -4.81 117.00 123.87 1a0k n LEU 20 Ca -0.14 0.83 -0.06 0.00 -0.03 0.00 0.00 56.01 56.61 1a0k n LEU 20 Cb 0.62 -1.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.35 1a0k n LEU 20 CO 0.23 -2.09 0.24 0.74 -1.33 0.00 0.00 177.39 175.19 1a0k h THR 21 N 0.62 1.62 -2.29 -5.08 2.02 -0.58 -3.47 112.91 105.75 1a0k h THR 21 Ca -0.47 -3.00 0.02 0.00 0.77 0.00 0.00 66.41 63.73 1a0k h THR 21 Cb 1.37 2.63 -0.17 0.00 -1.74 0.00 0.00 68.15 70.24 1a0k h THR 21 CO 0.51 0.86 0.34 0.00 0.37 0.00 0.00 175.52 177.60 1a0k s ALA 22 N -2.99 -1.76 0.16 6.16 0.00 -1.16 -4.67 121.76 117.49 1a0k s ALA 22 Ca -0.00 1.05 -0.13 0.00 0.00 0.00 0.00 51.96 52.88 1a0k s ALA 22 Cb 0.11 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.48 1a0k s ALA 22 CO 0.81 -0.56 0.37 0.00 0.00 0.00 0.00 175.76 176.38 1a0k s ALA 23 N -2.43 -0.51 -0.08 0.00 0.00 -1.26 -1.37 121.76 116.11 1a0k s ALA 23 Ca -0.02 -0.47 -0.32 0.00 0.00 0.00 0.00 51.96 51.15 1a0k s ALA 23 Cb -0.01 0.78 0.12 0.00 0.00 0.00 0.00 23.12 24.01 1a0k s ALA 23 CO -0.03 -0.68 1.08 0.00 0.00 0.00 0.00 175.76 176.13 1a0k s ALA 24 N -3.89 -1.96 -0.13 0.00 0.00 -1.05 -1.16 121.76 113.57 1a0k s ALA 24 Ca 0.10 1.21 -0.00 0.00 0.00 0.00 0.00 51.96 53.27 1a0k s ALA 24 Cb 0.02 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.34 1a0k s ALA 24 CO -0.05 -0.69 -0.11 0.42 0.00 0.00 0.00 175.76 175.33 1a0k s ILE 25 N -2.74 1.27 0.19 0.00 1.01 -0.93 -0.70 121.20 119.29 1a0k s ILE 25 Ca 0.08 -0.44 0.10 0.00 0.00 0.00 0.00 60.65 60.39 1a0k s ILE 25 Cb -0.01 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1a0k s ILE 25 CO -0.06 0.41 -0.16 -0.76 0.00 0.00 0.00 174.94 174.37 1a0k s LEU 26 N 1.58 2.74 0.52 2.97 1.02 -0.78 -1.30 118.68 125.42 1a0k s LEU 26 Ca 0.04 -0.71 -0.10 0.00 0.02 0.00 0.00 54.13 53.38 1a0k s LEU 26 Cb -0.13 -1.44 -0.05 0.00 0.02 0.00 0.00 46.19 44.60 1a0k s LEU 26 CO -0.09 0.11 0.89 -0.83 0.02 0.00 0.00 176.35 176.45 1a0k s GLY 27 N -2.80 1.73 0.00 -3.19 0.00 0.17 -1.79 107.32 101.44 1a0k s GLY 27 Ca 0.23 -0.20 0.10 0.00 0.00 0.00 0.00 44.72 44.86 1a0k s GLY 27 CO 0.13 0.02 1.16 -1.06 0.00 0.00 0.00 173.10 173.35 1a0k n GLN 28 N -2.12 0.22 0.00 2.90 6.02 -1.04 -0.04 117.38 123.31 1a0k n GLN 28 Ca 0.04 0.12 0.14 0.00 -0.01 0.00 0.00 57.00 57.28 1a0k n GLN 28 Cb 0.54 -1.50 0.46 0.00 1.02 0.00 0.00 30.24 30.76 1a0k n GLN 28 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1a0k n ASP 29 N -1.18 1.24 0.00 1.08 5.75 -1.26 -4.93 116.55 117.26 1a0k n ASP 29 Ca 0.06 -1.19 0.00 0.00 -0.01 0.00 0.00 54.79 53.65 1a0k n ASP 29 Cb 0.06 0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1a0k n ASP 29 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a0k n GLY 30 N 1.25 0.42 3.79 6.12 0.00 0.94 -5.08 105.19 112.63 1a0k n GLY 30 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1a0k n GLY 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a0k s SER 31 N -1.90 6.88 -0.07 1.61 1.04 -1.24 -4.72 113.70 115.30 1a0k s SER 31 Ca 0.00 1.95 -0.25 0.00 0.48 0.00 0.00 55.95 58.13 1a0k s SER 31 Cb 0.00 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.51 1a0k s SER 31 CO 0.00 -0.41 0.78 -0.69 0.98 0.00 0.00 173.24 173.90 1a0k s VAL 32 N -1.73 4.98 -0.22 5.02 1.01 -1.26 0.43 120.40 128.63 1a0k s VAL 32 Ca 0.57 1.60 0.11 0.00 0.00 0.00 0.00 61.98 64.27 1a0k s VAL 32 Cb -0.19 -4.11 -0.22 0.00 0.00 0.00 0.00 36.38 31.85 1a0k s VAL 32 CO 0.25 0.20 -0.02 0.79 0.00 0.00 0.00 175.10 176.31 1a0k n TRP 33 N 4.03 0.04 -3.53 5.22 8.01 -0.42 -4.92 117.44 125.87 1a0k n TRP 33 Ca 0.01 0.01 -0.14 0.00 -1.31 0.00 0.00 57.50 56.08 1a0k n TRP 33 Cb 0.51 -1.01 -0.05 0.00 -2.01 0.00 0.00 31.31 28.75 1a0k n TRP 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1a0k s ALA 34 N -2.50 -1.83 0.12 6.99 0.00 -1.15 -4.68 121.76 118.71 1a0k s ALA 34 Ca -0.19 1.33 -0.24 0.00 0.00 0.00 0.00 51.96 52.85 1a0k s ALA 34 Cb 0.07 -0.16 0.07 0.00 0.00 0.00 0.00 23.12 23.10 1a0k s ALA 34 CO 0.74 -0.41 0.61 1.14 0.00 0.00 0.00 175.76 177.84 1a0k s GLN 35 N -1.56 1.23 0.85 0.00 -2.07 -1.26 -2.20 119.66 114.65 1a0k s GLN 35 Ca -0.05 -0.34 -0.08 0.00 -1.82 0.00 0.00 55.36 53.07 1a0k s GLN 35 Cb -0.00 0.57 0.17 0.00 -1.09 0.00 0.00 33.01 32.66 1a0k s GLN 35 CO 0.03 -0.51 1.16 -1.54 -1.32 0.00 0.00 175.29 173.11 1a0k s SER 36 N -2.46 3.68 0.27 12.60 1.04 -0.31 -4.97 113.70 123.56 1a0k s SER 36 Ca -0.01 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.32 1a0k s SER 36 Cb -0.01 -0.08 0.39 0.00 0.10 0.00 0.00 66.02 66.42 1a0k s SER 36 CO -0.09 -2.33 1.74 0.00 0.98 0.00 0.00 173.24 173.54 1a0k h ALA 37 N -1.09 1.11 -0.53 5.32 0.00 -1.93 -3.06 119.26 119.07 1a0k h ALA 37 Ca -0.40 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1a0k h ALA 37 Cb 1.25 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1a0k h ALA 37 CO 0.38 0.55 0.00 1.63 0.00 0.00 0.00 179.25 181.81 1a0k n LYS 38 N -4.16 3.99 -2.20 0.00 5.02 -1.26 -4.96 118.16 114.59 1a0k n LYS 38 Ca 0.00 -2.64 -0.41 0.00 -2.02 0.00 0.00 58.31 53.24 1a0k n LYS 38 Cb 0.37 -2.03 -0.03 0.00 -0.02 0.00 0.00 35.03 33.32 1a0k n LYS 38 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1a0k s PHE 39 N -2.24 3.22 0.58 2.13 5.36 -1.16 -4.89 117.98 120.98 1a0k s PHE 39 Ca 0.46 1.32 -0.17 0.00 -0.96 0.00 0.00 56.93 57.58 1a0k s PHE 39 Cb 0.33 -3.60 -0.04 0.00 -0.34 0.00 0.00 43.02 39.37 1a0k s PHE 39 CO 0.17 -1.77 1.08 -1.25 -1.46 0.00 0.00 175.22 171.99 1a0k s PRO 40 N -0.78 3.30 -0.40 10.12 0.04 -1.26 -5.00 135.00 141.02 1a0k s PRO 40 Ca 0.53 1.36 -0.27 0.00 0.04 0.00 0.00 61.00 62.65 1a0k s PRO 40 Cb -0.37 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.17 1a0k s PRO 40 CO 0.43 -0.85 1.02 -1.14 0.04 0.00 0.00 177.00 176.51 1a0k s GLN 41 N -3.76 3.82 0.12 4.56 0.74 -1.26 -4.94 119.66 118.95 1a0k s GLN 41 Ca 0.67 0.64 -0.08 0.00 0.05 0.00 0.00 55.36 56.64 1a0k s GLN 41 Cb -0.19 -3.83 -0.06 0.00 1.10 0.00 0.00 33.01 30.03 1a0k s GLN 41 CO 0.33 -1.10 0.41 -0.51 -0.55 0.00 0.00 175.29 173.87 1a0k s LEU 42 N 3.84 4.29 0.70 3.68 1.43 -1.26 -4.06 118.68 127.30 1a0k s LEU 42 Ca 0.43 0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 54.14 1a0k s LEU 42 Cb -0.10 -3.21 0.02 0.00 0.03 0.00 0.00 46.19 42.93 1a0k s LEU 42 CO 0.23 0.09 1.08 -0.54 0.23 0.00 0.00 176.35 177.44 1a0k s LYS 43 N -2.34 2.77 0.11 1.70 1.02 -1.26 -4.95 119.74 116.79 1a0k s LYS 43 Ca 0.38 0.37 -0.14 0.00 0.02 0.00 0.00 55.97 56.60 1a0k s LYS 43 Cb -0.13 -2.04 -0.07 0.00 -0.52 0.00 0.00 37.83 35.07 1a0k s LYS 43 CO 0.21 -1.06 1.44 -1.35 -0.92 0.00 0.00 175.35 173.67 1a0k h PRO 44 N -0.64 0.74 0.00 -1.68 0.11 -1.99 -2.72 132.00 125.81 1a0k h PRO 44 Ca -0.45 -0.38 -0.02 0.00 0.11 0.00 0.00 66.00 65.26 1a0k h PRO 44 Cb 1.26 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1a0k h PRO 44 CO 0.64 1.00 -0.11 -0.56 -0.21 0.00 0.00 178.00 178.76 1a0k h GLN 45 N 0.50 0.00 -0.08 1.05 -0.00 -1.99 -0.88 115.11 113.71 1a0k h GLN 45 Ca 0.05 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.49 1a0k h GLN 45 Cb 0.85 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.34 1a0k h GLN 45 CO 0.07 0.11 -0.78 0.93 -0.00 0.00 0.00 178.83 179.16 1a0k h GLU 46 N 0.00 0.67 0.00 0.06 5.08 -1.83 -1.44 114.58 117.11 1a0k h GLU 46 Ca -0.00 -0.61 -0.07 0.00 -1.00 0.00 0.00 59.36 57.67 1a0k h GLU 46 Cb 0.25 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1a0k h GLU 46 CO 0.01 1.22 -0.36 0.82 -1.00 0.00 0.00 179.01 179.71 1a0k h ILE 47 N 0.33 1.22 -0.11 3.13 2.04 -1.13 -2.01 117.51 120.98 1a0k h ILE 47 Ca -0.07 -1.23 -0.17 0.00 1.00 0.00 0.00 64.86 64.38 1a0k h ILE 47 Cb 1.43 1.67 0.01 0.00 -0.74 0.00 0.00 36.82 39.19 1a0k h ILE 47 CO 0.16 0.35 -0.61 0.44 0.00 0.00 0.00 178.15 178.48 1a0k h ASP 48 N 0.00 0.73 -0.97 1.72 5.19 -1.04 -2.61 116.42 119.44 1a0k h ASP 48 Ca -0.00 -0.65 0.00 0.00 -0.62 0.00 0.00 57.03 55.76 1a0k h ASP 48 Cb 0.64 -0.22 -0.05 0.00 0.18 0.00 0.00 39.33 39.89 1a0k h ASP 48 CO 0.05 1.26 0.61 1.23 -3.12 0.00 0.00 179.24 179.27 1a0k h GLY 49 N 0.26 1.39 0.99 2.75 0.00 -0.97 -0.93 103.07 106.56 1a0k h GLY 49 Ca -0.04 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 1a0k h GLY 49 CO 0.13 0.54 0.34 -2.22 0.00 0.00 0.00 176.54 175.33 1a0k h ILE 50 N 1.33 1.18 -0.11 2.60 2.04 -1.34 0.68 117.51 123.89 1a0k h ILE 50 Ca 0.35 -0.40 -0.11 0.00 1.00 0.00 0.00 64.86 65.69 1a0k h ILE 50 Cb -0.10 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1a0k h ILE 50 CO -0.07 0.18 -0.44 0.11 0.00 0.00 0.00 178.15 177.93 1a0k h LYS 51 N 0.78 0.25 -0.26 2.37 1.57 -1.12 -1.89 116.57 118.27 1a0k h LYS 51 Ca 0.21 -0.13 -0.15 0.00 -1.87 0.00 0.00 60.65 58.71 1a0k h LYS 51 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1a0k h LYS 51 CO -0.04 0.65 -0.47 -0.22 -0.57 0.00 0.00 179.45 178.81 1a0k h LYS 52 N 0.21 0.68 -0.08 3.15 3.64 -0.70 -2.81 116.57 120.65 1a0k h LYS 52 Ca 0.01 -0.39 -0.08 0.00 -1.27 0.00 0.00 60.65 58.93 1a0k h LYS 52 Cb 0.87 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1a0k h LYS 52 CO 0.07 1.00 -0.31 0.22 -2.27 0.00 0.00 179.45 178.16 1a0k h ASP 53 N 0.54 0.16 0.89 4.20 3.58 -0.36 0.60 116.42 126.02 1a0k h ASP 53 Ca 0.03 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1a0k h ASP 53 Cb 1.01 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.02 1a0k h ASP 53 CO 0.10 0.47 0.00 -0.26 -2.88 0.00 0.00 179.24 176.66 1a0k h PHE 54 N 0.14 0.00 0.02 0.28 0.04 -1.10 -2.37 116.94 113.94 1a0k h PHE 54 Ca 0.02 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.43 1a0k h PHE 54 Cb 0.62 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.71 1a0k h PHE 54 CO 0.01 0.00 -2.22 0.39 -0.60 0.00 0.00 178.31 175.89 1a0k n GLU 55 N -2.66 0.68 -3.71 1.51 -0.58 -0.52 -3.92 120.64 111.45 1a0k n GLU 55 Ca 0.01 0.14 -0.28 0.00 -0.42 0.00 0.00 57.16 56.62 1a0k n GLU 55 Cb 0.27 -1.60 -0.11 0.00 -0.57 0.00 0.00 31.44 29.42 1a0k n GLU 55 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1a0k n GLU 56 N -3.09 1.37 -1.59 3.49 1.02 0.09 -5.04 120.64 116.89 1a0k n GLU 56 Ca -0.34 -4.09 -0.40 0.00 -0.02 0.00 0.00 57.16 52.31 1a0k n GLU 56 Cb 1.07 -2.08 0.02 0.00 -0.02 0.00 0.00 31.44 30.43 1a0k n GLU 56 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1a0k n PRO 57 N 2.14 1.12 -0.15 3.49 -0.02 -0.90 -1.41 135.00 139.27 1a0k n PRO 57 Ca 0.23 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1a0k n PRO 57 Cb 0.39 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1a0k n PRO 57 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a0k n GLY 58 N 1.30 1.09 0.37 -1.23 0.00 -1.26 -4.91 105.19 100.55 1a0k n GLY 58 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 1a0k n GLY 58 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1a0k h PHE 59 N 0.00 1.20 0.00 1.61 3.57 -1.52 -3.12 116.94 118.68 1a0k h PHE 59 Ca 0.00 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1a0k h PHE 59 Cb 0.00 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 38.33 1a0k h PHE 59 CO 0.00 0.79 -0.55 -0.07 -2.23 0.00 0.00 178.31 176.24 1a0k h LEU 60 N 1.27 0.00 -0.42 0.59 3.38 -1.89 -3.40 115.31 114.83 1a0k h LEU 60 Ca 0.33 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.39 1a0k h LEU 60 Cb -0.08 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.59 1a0k h LEU 60 CO -0.06 0.32 -0.13 0.00 0.09 0.00 0.00 178.44 178.65 1a0k h ALA 61 N 1.68 0.24 -0.38 1.53 0.00 -1.84 0.85 119.26 121.34 1a0k h ALA 61 Ca -0.03 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1a0k h ALA 61 Cb 1.27 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 1a0k h ALA 61 CO 0.04 -0.48 0.17 -1.35 0.00 0.00 0.00 179.25 177.64 1a0k h PRO 62 N -0.03 0.35 0.06 0.00 0.11 -1.78 -3.29 132.00 127.40 1a0k h PRO 62 Ca 0.20 -0.02 -0.26 0.00 0.11 0.00 0.00 66.00 66.03 1a0k h PRO 62 Cb 0.35 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 1a0k h PRO 62 CO -0.45 0.23 -1.34 1.79 -0.21 0.00 0.00 178.00 178.02 1a0k h THR 63 N 0.36 1.34 0.00 -1.15 1.35 -1.79 -3.51 112.91 109.52 1a0k h THR 63 Ca 0.17 -3.04 0.00 0.00 -0.55 0.00 0.00 66.41 62.99 1a0k h THR 63 Cb 0.09 2.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 1a0k h THR 63 CO -0.13 0.82 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 1a0k n GLY 64 N 1.52 2.82 3.43 5.82 0.00 0.28 -4.94 105.19 114.10 1a0k n GLY 64 Ca -0.10 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 1a0k n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1a0k s LEU 65 N 0.00 5.12 -0.14 0.99 2.96 0.05 -4.76 118.68 122.90 1a0k s LEU 65 Ca 0.00 -1.00 -0.11 0.00 -0.22 0.00 0.00 54.13 52.80 1a0k s LEU 65 Cb 0.00 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 1a0k s LEU 65 CO 0.00 -0.47 0.21 -0.36 -1.32 0.00 0.00 176.35 174.41 1a0k s PHE 66 N 1.64 3.53 -0.09 5.38 0.40 -1.26 0.35 117.98 127.94 1a0k s PHE 66 Ca 0.04 0.56 -0.04 0.00 -0.60 0.00 0.00 56.93 56.89 1a0k s PHE 66 Cb -0.20 -2.15 0.05 0.00 0.51 0.00 0.00 43.02 41.23 1a0k s PHE 66 CO 0.09 0.47 0.17 -0.51 0.70 0.00 0.00 175.22 176.14 1a0k s LEU 67 N -0.26 -0.04 -1.35 -0.37 1.43 -0.68 -4.82 118.68 112.59 1a0k s LEU 67 Ca 0.15 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 1a0k s LEU 67 Cb -0.13 0.34 0.00 0.00 0.03 0.00 0.00 46.19 46.43 1a0k s LEU 67 CO 0.04 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 176.99 1a0k n GLY 68 N 5.23 1.10 2.65 -3.19 0.00 -1.26 -1.85 105.19 107.88 1a0k n GLY 68 Ca -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1a0k n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a0k n GLY 69 N -1.30 0.88 3.81 -0.02 0.00 -1.26 -5.00 105.19 102.31 1a0k n GLY 69 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1a0k n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a0k s GLU 70 N -0.05 3.65 0.01 1.61 0.41 -0.77 -5.08 118.70 118.48 1a0k s GLU 70 Ca 0.00 -0.18 -0.22 0.00 -0.41 0.00 0.00 54.97 54.16 1a0k s GLU 70 Cb 0.00 -3.23 -0.05 0.00 -1.78 0.00 0.00 34.13 29.06 1a0k s GLU 70 CO 0.00 0.62 0.65 0.21 -0.49 0.00 0.00 175.26 176.24 1a0k s LYS 71 N -0.56 4.37 0.07 1.61 2.20 -1.26 -1.69 119.74 124.48 1a0k s LYS 71 Ca 0.12 0.84 0.09 0.00 -0.36 0.00 0.00 55.97 56.66 1a0k s LYS 71 Cb -0.12 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.83 1a0k s LYS 71 CO 0.02 0.35 -0.25 0.71 -0.36 0.00 0.00 175.35 175.82 1a0k s TYR 72 N -0.18 2.16 -0.13 4.03 1.51 0.16 -4.79 117.35 120.10 1a0k s TYR 72 Ca 0.33 -0.40 -0.14 0.00 -1.01 0.00 0.00 57.07 55.85 1a0k s TYR 72 Cb -0.19 -1.25 -0.05 0.00 -0.11 0.00 0.00 41.96 40.37 1a0k s TYR 72 CO 0.19 0.18 0.33 -1.64 -1.11 0.00 0.00 175.55 173.50 1a0k s MET 73 N -1.51 4.19 0.23 -0.62 -1.94 -0.31 -0.77 119.30 118.57 1a0k s MET 73 Ca 0.11 0.18 -0.30 0.00 -1.71 0.00 0.00 55.69 53.97 1a0k s MET 73 Cb -0.10 -3.39 -0.09 0.00 2.01 0.00 0.00 34.83 33.26 1a0k s MET 73 CO 0.03 0.31 1.21 0.08 -0.01 0.00 0.00 175.02 176.64 1a0k s VAL 74 N 0.24 3.35 0.36 -6.03 1.01 -1.26 -1.48 120.40 116.58 1a0k s VAL 74 Ca 0.19 1.21 0.05 0.00 0.00 0.00 0.00 61.98 63.43 1a0k s VAL 74 Cb -0.14 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 1a0k s VAL 74 CO 0.06 0.23 0.03 -0.63 0.00 0.00 0.00 175.10 174.78 1a0k s ILE 75 N -0.45 1.58 0.21 2.22 1.09 -0.77 -4.94 121.20 120.14 1a0k s ILE 75 Ca 0.51 -2.01 -0.32 0.00 -1.10 0.00 0.00 60.65 57.72 1a0k s ILE 75 Cb -0.34 -2.85 -0.13 0.00 -1.06 0.00 0.00 42.46 38.07 1a0k s ILE 75 CO 0.40 -0.03 1.55 1.67 -0.10 0.00 0.00 174.94 178.43 1a0k n GLN 76 N -0.80 2.25 0.00 2.79 7.27 -1.26 -4.40 117.38 123.23 1a0k n GLN 76 Ca -0.04 0.81 0.00 0.00 0.07 0.00 0.00 57.00 57.84 1a0k n GLN 76 Cb 0.66 -2.55 0.00 0.00 2.41 0.00 0.00 30.24 30.76 1a0k n GLN 76 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1a0k n GLY 77 N 2.96 6.43 3.33 1.69 0.00 -1.26 -4.68 105.19 113.65 1a0k n GLY 77 Ca 0.14 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 1a0k n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a0k s GLU 78 N 1.10 3.21 0.08 1.61 2.12 -0.77 -4.94 118.70 121.11 1a0k s GLU 78 Ca 0.00 -0.75 -0.33 0.00 0.36 0.00 0.00 54.97 54.24 1a0k s GLU 78 Cb 0.00 -2.50 -0.13 0.00 0.26 0.00 0.00 34.13 31.76 1a0k s GLU 78 CO 0.00 0.23 1.72 1.04 -0.54 0.00 0.00 175.26 177.71 1a0k n GLN 79 N 3.44 2.28 -0.80 4.30 6.02 -1.26 -1.28 117.38 130.08 1a0k n GLN 79 Ca -0.18 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.64 1a0k n GLN 79 Cb 0.53 -2.64 0.00 0.00 1.02 0.00 0.00 30.24 29.14 1a0k n GLN 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1a0k n GLY 80 N 3.86 0.23 0.67 1.08 0.00 -1.25 -4.76 105.19 105.02 1a0k n GLY 80 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1a0k n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a0k n ALA 81 N 1.00 2.51 -3.04 4.61 0.00 -0.79 -4.81 120.51 120.00 1a0k n ALA 81 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1a0k n ALA 81 Cb 0.16 0.35 -0.14 0.00 0.00 0.00 0.00 19.45 19.81 1a0k n ALA 81 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1a0k s VAL 82 N -1.85 -0.01 -0.08 0.00 1.01 -0.40 -1.49 120.40 117.57 1a0k s VAL 82 Ca 0.00 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1a0k s VAL 82 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 36.38 36.34 1a0k s VAL 82 CO 0.00 0.02 -0.21 -0.63 0.00 0.00 0.00 175.10 174.27 1a0k s ILE 83 N 0.20 1.81 0.08 2.22 1.01 -0.33 -1.84 121.20 124.35 1a0k s ILE 83 Ca -0.02 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.81 1a0k s ILE 83 Cb -0.02 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 1a0k s ILE 83 CO -0.01 0.51 -0.16 -0.13 0.00 0.00 0.00 174.94 175.15 1a0k s ARG 84 N 0.29 0.91 0.11 2.79 0.52 -1.26 -0.41 118.95 121.89 1a0k s ARG 84 Ca -0.14 -1.02 -0.10 0.00 -0.52 0.00 0.00 55.73 53.95 1a0k s ARG 84 Cb -0.16 -0.99 0.00 0.00 0.52 0.00 0.00 34.95 34.32 1a0k s ARG 84 CO 0.06 0.22 0.25 0.20 0.02 0.00 0.00 175.30 176.06 1a0k s GLY 85 N -1.81 0.08 0.01 -3.53 0.00 -0.59 -1.84 107.32 99.64 1a0k s GLY 85 Ca 0.01 -0.55 0.03 0.00 0.00 0.00 0.00 44.72 44.21 1a0k s GLY 85 CO 0.03 -0.71 -0.09 0.54 0.00 0.00 0.00 173.10 172.87 1a0k s LYS 86 N -3.87 0.71 -0.30 2.90 -0.14 -0.55 -1.42 119.74 117.07 1a0k s LYS 86 Ca 0.07 -0.42 -0.02 0.00 -1.36 0.00 0.00 55.97 54.24 1a0k s LYS 86 Cb 0.04 -0.66 0.12 0.00 -1.68 0.00 0.00 37.83 35.65 1a0k s LYS 86 CO -0.09 0.18 0.22 0.21 -0.76 0.00 0.00 175.35 175.10 1a0k s LYS 87 N -0.48 0.29 6.33 1.68 2.20 0.20 -1.16 119.74 128.80 1a0k s LYS 87 Ca 0.02 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 1a0k s LYS 87 Cb -0.05 -0.94 0.00 0.00 -1.51 0.00 0.00 37.83 35.34 1a0k s LYS 87 CO -0.00 -1.05 0.00 0.41 -0.36 0.00 0.00 175.35 174.35 1a0k n GLY 88 N 5.13 2.64 0.45 5.54 0.00 -1.26 -1.84 105.19 115.84 1a0k n GLY 88 Ca -0.02 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.62 1a0k n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a0k n PRO 89 N 13.59 1.22 -2.10 1.61 -0.04 -1.26 -4.85 135.00 143.16 1a0k n PRO 89 Ca 0.00 -0.20 -0.01 0.00 -0.04 0.00 0.00 63.50 63.25 1a0k n PRO 89 Cb 0.00 -1.40 -0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1a0k n PRO 89 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a0k n GLY 90 N 0.20 4.06 0.00 0.55 0.00 -0.77 -3.04 105.19 106.19 1a0k n GLY 90 Ca 0.02 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1a0k n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a0k n GLY 91 N 1.87 0.62 3.45 -0.02 0.00 -1.11 -0.63 105.19 109.39 1a0k n GLY 91 Ca -0.00 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.13 1a0k n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a0k s VAL 92 N -2.06 0.01 -0.05 1.61 0.11 -0.50 -1.50 120.40 118.03 1a0k s VAL 92 Ca 0.00 -0.11 0.04 0.00 -2.93 0.00 0.00 61.98 58.97 1a0k s VAL 92 Cb 0.00 -0.89 -0.00 0.00 -1.53 0.00 0.00 36.38 33.96 1a0k s VAL 92 CO 0.00 -0.06 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.66 1a0k s THR 93 N -1.09 1.33 -0.14 5.04 2.01 -0.11 -1.54 115.64 121.14 1a0k s THR 93 Ca -0.11 -0.65 -0.00 0.00 0.31 0.00 0.00 61.69 61.24 1a0k s THR 93 Cb -0.02 -1.15 0.03 0.00 0.01 0.00 0.00 72.50 71.37 1a0k s THR 93 CO 0.08 0.39 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.66 1a0k s ILE 94 N 0.14 1.30 -0.18 1.82 1.01 0.45 -1.03 121.20 124.71 1a0k s ILE 94 Ca -0.05 -0.51 -0.04 0.00 0.00 0.00 0.00 60.65 60.05 1a0k s ILE 94 Cb -0.12 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 1a0k s ILE 94 CO 0.02 0.37 -0.03 -0.75 0.00 0.00 0.00 174.94 174.55 1a0k s LYS 95 N 1.59 3.60 -0.18 2.79 2.47 -0.20 -1.19 119.74 128.62 1a0k s LYS 95 Ca 0.04 -0.54 -0.17 0.00 -1.56 0.00 0.00 55.97 53.74 1a0k s LYS 95 Cb -0.13 -2.97 -0.04 0.00 -1.46 0.00 0.00 37.83 33.23 1a0k s LYS 95 CO -0.09 0.11 0.46 0.21 0.16 0.00 0.00 175.35 176.19 1a0k s LYS 96 N 0.72 4.22 0.00 4.03 2.20 -0.55 -0.33 119.74 130.03 1a0k s LYS 96 Ca -0.01 0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 1a0k s LYS 96 Cb -0.14 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 1a0k s LYS 96 CO 0.02 -0.02 0.00 0.25 -0.36 0.00 0.00 175.35 175.24 1a0k n THR 97 N 4.22 0.00 0.06 3.43 -2.24 -0.96 -4.88 114.28 113.91 1a0k n THR 97 Ca -0.07 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.64 1a0k n THR 97 Cb 0.51 -0.71 0.08 0.00 -2.10 0.00 0.00 70.33 68.11 1a0k n THR 97 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1a0k h ASN 98 N 0.00 0.38 0.00 3.42 2.35 -1.83 -3.37 115.58 116.54 1a0k h ASN 98 Ca 0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1a0k h ASN 98 Cb 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1a0k h ASN 98 CO 0.00 0.93 -0.37 0.00 -1.65 0.00 0.00 177.43 176.34 1a0k n GLN 99 N -3.86 3.94 -1.60 0.81 6.02 -0.80 -5.05 117.38 116.84 1a0k n GLN 99 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1a0k n GLN 99 Cb 0.65 -0.65 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1a0k n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a0k n ALA 100 N -1.08 0.00 -3.60 -1.58 0.00 -1.24 -2.50 120.51 110.50 1a0k n ALA 100 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1a0k n ALA 100 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1a0k n ALA 100 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a0k s LEU 101 N 0.00 -0.29 -0.23 0.00 1.43 -0.74 -2.26 118.68 116.59 1a0k s LEU 101 Ca 0.00 0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 53.40 1a0k s LEU 101 Cb 0.00 0.67 -0.05 0.00 0.03 0.00 0.00 46.19 46.84 1a0k s LEU 101 CO 0.00 -0.26 0.16 -0.69 0.23 0.00 0.00 176.35 175.79 1a0k s VAL 102 N 2.41 5.36 -0.00 -1.59 1.01 0.55 -1.87 120.40 126.27 1a0k s VAL 102 Ca 0.03 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.24 1a0k s VAL 102 Cb -0.13 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1a0k s VAL 102 CO -0.10 0.36 -0.07 -0.36 0.00 0.00 0.00 175.10 174.93 1a0k s PHE 103 N 0.95 2.88 -0.08 5.22 0.40 0.12 -1.03 117.98 126.44 1a0k s PHE 103 Ca 0.08 -0.04 -0.03 0.00 -0.60 0.00 0.00 56.93 56.34 1a0k s PHE 103 Cb -0.13 -1.61 0.05 0.00 0.51 0.00 0.00 43.02 41.83 1a0k s PHE 103 CO 0.04 0.37 0.15 0.20 0.70 0.00 0.00 175.22 176.67 1a0k s GLY 104 N -1.38 0.06 -0.17 4.36 0.00 -0.20 -2.52 107.32 107.47 1a0k s GLY 104 Ca 0.17 0.53 -0.06 0.00 0.00 0.00 0.00 44.72 45.35 1a0k s GLY 104 CO 0.07 1.66 0.03 -1.36 0.00 0.00 0.00 173.10 173.50 1a0k s PHE 105 N 2.28 3.18 0.19 1.90 0.40 -0.47 -0.94 117.98 124.53 1a0k s PHE 105 Ca 0.03 -0.04 0.07 0.00 -0.60 0.00 0.00 56.93 56.40 1a0k s PHE 105 Cb -0.12 -2.04 -0.05 0.00 0.51 0.00 0.00 43.02 41.33 1a0k s PHE 105 CO -0.06 0.10 -0.15 1.52 0.70 0.00 0.00 175.22 177.34 1a0k s TYR 106 N 0.34 1.67 0.01 0.36 -0.85 -0.56 0.20 117.35 118.53 1a0k s TYR 106 Ca 0.01 -0.57 -0.03 0.00 -0.52 0.00 0.00 57.07 55.96 1a0k s TYR 106 Cb -0.13 -0.79 -0.01 0.00 0.38 0.00 0.00 41.96 41.41 1a0k s TYR 106 CO 0.01 0.32 0.04 -0.51 -1.52 0.00 0.00 175.55 173.89 1a0k s ASP 107 N -3.16 0.16 0.62 -0.18 1.01 -1.26 -2.73 116.67 111.13 1a0k s ASP 107 Ca 0.20 -0.39 -0.18 0.00 0.71 0.00 0.00 52.55 52.89 1a0k s ASP 107 Cb -0.01 0.15 -0.05 0.00 1.01 0.00 0.00 42.92 44.01 1a0k s ASP 107 CO 0.06 -0.34 0.85 -1.84 0.21 0.00 0.00 175.17 174.11 1a0k n GLU 108 N 1.48 0.73 0.00 8.23 0.28 -1.17 -1.55 120.64 128.65 1a0k n GLU 108 Ca -0.23 0.29 0.01 0.00 -0.16 0.00 0.00 57.16 57.07 1a0k n GLU 108 Cb 0.55 -2.06 0.07 0.00 1.43 0.00 0.00 31.44 31.43 1a0k n GLU 108 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1a0k n PRO 109 N -0.93 0.71 -2.71 3.44 -0.04 -1.26 -5.08 135.00 129.13 1a0k n PRO 109 Ca 0.13 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.26 1a0k n PRO 109 Cb 0.48 -1.05 -0.06 0.00 -0.04 0.00 0.00 33.50 32.83 1a0k n PRO 109 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1a0k s MET 110 N -2.00 4.14 0.37 0.54 1.75 -0.59 -5.01 119.30 118.50 1a0k s MET 110 Ca 0.03 1.10 0.08 0.00 -1.25 0.00 0.00 55.69 55.65 1a0k s MET 110 Cb 0.02 -2.17 -0.04 0.00 2.84 0.00 0.00 34.83 35.48 1a0k s MET 110 CO 0.03 -0.11 0.22 0.95 -0.65 0.00 0.00 175.02 175.46 1a0k s THR 111 N -2.26 2.85 0.27 10.11 -4.23 -1.26 -4.61 115.64 116.50 1a0k s THR 111 Ca 0.62 -1.57 -0.04 0.00 -1.18 0.00 0.00 61.69 59.51 1a0k s THR 111 Cb -0.10 -3.01 0.22 0.00 1.34 0.00 0.00 72.50 70.95 1a0k s THR 111 CO 0.17 -0.10 1.89 1.23 -0.54 0.00 0.00 174.62 177.27 1a0k h GLY 112 N 1.36 1.19 1.04 3.99 0.00 -1.96 -1.43 103.07 107.26 1a0k h GLY 112 Ca -0.43 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.33 1a0k h GLY 112 CO 0.63 0.51 0.39 -1.33 0.00 0.00 0.00 176.54 176.74 1a0k h GLY 113 N 1.15 1.28 1.39 4.60 0.00 -1.98 0.12 103.07 109.63 1a0k h GLY 113 Ca 0.28 -0.64 -0.14 0.00 0.00 0.00 0.00 47.33 46.83 1a0k h GLY 113 CO -0.05 0.61 -0.40 1.46 0.00 0.00 0.00 176.54 178.17 1a0k h GLN 114 N 1.18 0.67 -0.25 4.80 4.20 -1.81 -1.32 115.11 122.58 1a0k h GLN 114 Ca 0.28 -0.35 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 1a0k h GLN 114 Cb 0.13 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1a0k h GLN 114 CO -0.03 0.95 -0.05 0.00 -0.67 0.00 0.00 178.83 179.03 1a0k h ASN 116 N 0.24 0.55 0.60 0.00 2.35 -0.68 -2.01 115.58 116.62 1a0k h ASN 116 Ca 0.07 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1a0k h ASN 116 Cb 0.51 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1a0k h ASN 116 CO 0.02 0.36 -0.49 0.25 -1.65 0.00 0.00 177.43 175.92 1a0k h LEU 117 N 0.68 -1.30 -1.01 1.61 6.46 -0.98 0.28 115.31 121.04 1a0k h LEU 117 Ca 0.29 0.09 0.02 0.00 -0.12 0.00 0.00 57.88 58.16 1a0k h LEU 117 Cb 0.16 0.41 -0.05 0.00 -0.73 0.00 0.00 40.66 40.45 1a0k h LEU 117 CO -0.17 -0.69 0.67 -0.37 -0.62 0.00 0.00 178.44 177.26 1a0k h VAL 118 N -1.06 1.22 -0.09 1.05 -1.51 -1.35 -1.17 116.25 113.34 1a0k h VAL 118 Ca -0.08 -0.45 -0.05 0.00 -1.23 0.00 0.00 66.70 64.89 1a0k h VAL 118 Cb 0.89 -0.22 -0.00 0.00 -2.13 0.00 0.00 31.29 29.83 1a0k h VAL 118 CO 0.00 0.24 -0.13 0.58 -1.23 0.00 0.00 177.57 177.03 1a0k h VAL 119 N 1.32 1.38 -0.09 7.19 2.07 -1.29 -2.81 116.25 124.02 1a0k h VAL 119 Ca 0.39 -1.36 -0.16 0.00 0.82 0.00 0.00 66.70 66.38 1a0k h VAL 119 Cb -0.08 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1a0k h VAL 119 CO -0.10 0.38 -0.65 -0.33 0.02 0.00 0.00 177.57 176.89 1a0k h GLU 120 N -0.18 0.35 -0.43 1.57 5.08 -0.86 -1.52 114.58 118.59 1a0k h GLU 120 Ca 0.01 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.02 1a0k h GLU 120 Cb 0.68 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1a0k h GLU 120 CO 0.03 0.88 -0.11 0.07 -1.00 0.00 0.00 179.01 178.89 1a0k h ARG 121 N 0.25 0.76 -0.28 2.33 0.11 -1.27 0.28 114.38 116.57 1a0k h ARG 121 Ca -0.01 -0.25 -0.06 0.00 0.10 0.00 0.00 59.98 59.76 1a0k h ARG 121 Cb 1.19 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 32.20 1a0k h ARG 121 CO 0.11 0.84 -0.05 1.25 0.10 0.00 0.00 179.97 182.22 1a0k h LEU 122 N 0.69 0.53 -0.73 0.08 5.85 -1.39 -1.98 115.31 118.36 1a0k h LEU 122 Ca 0.12 -0.35 0.09 0.00 0.84 0.00 0.00 57.88 58.58 1a0k h LEU 122 Cb 0.58 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.40 1a0k h LEU 122 CO 0.04 0.76 0.38 1.23 -0.34 0.00 0.00 178.44 180.51 1a0k h GLY 123 N 0.29 1.10 2.00 3.75 0.00 -0.76 0.02 103.07 109.48 1a0k h GLY 123 Ca 0.07 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 1a0k h GLY 123 CO 0.02 0.09 -0.44 -0.55 0.00 0.00 0.00 176.54 175.66 1a0k h ASP 124 N 0.66 0.00 -0.33 0.19 3.32 -0.87 -1.89 116.42 117.50 1a0k h ASP 124 Ca 0.35 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.30 1a0k h ASP 124 Cb 0.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1a0k h ASP 124 CO -0.25 0.44 -0.19 0.22 -1.72 0.00 0.00 179.24 177.74 1a0k h TYR 125 N 0.00 0.82 -0.45 4.55 3.20 -0.40 -1.79 116.97 122.90 1a0k h TYR 125 Ca -0.00 -0.21 -0.11 0.00 3.14 0.00 0.00 58.73 61.54 1a0k h TYR 125 Cb 0.82 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 1a0k h TYR 125 CO 0.00 0.93 -0.16 -0.07 -1.64 0.00 0.00 178.16 177.22 1a0k h LEU 126 N 0.48 0.86 -1.23 2.82 3.38 -0.98 -2.44 115.31 118.19 1a0k h LEU 126 Ca 0.07 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1a0k h LEU 126 Cb 0.74 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1a0k h LEU 126 CO 0.05 1.02 -0.00 0.40 0.09 0.00 0.00 178.44 180.00 1a0k h ILE 127 N 0.76 1.20 -0.47 1.22 2.04 -1.29 0.34 117.51 121.30 1a0k h ILE 127 Ca 0.11 -0.78 -0.13 0.00 1.00 0.00 0.00 64.86 65.07 1a0k h ILE 127 Cb 0.69 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1a0k h ILE 127 CO 0.05 0.27 -0.20 -0.33 0.00 0.00 0.00 178.15 177.94 1a0k h GLU 128 N 0.49 0.97 -0.10 2.37 5.08 -1.12 -2.77 114.58 119.50 1a0k h GLU 128 Ca 0.11 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1a0k h GLU 128 Cb 0.33 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1a0k h GLU 128 CO 0.01 1.08 0.00 0.43 -1.00 0.00 0.00 179.01 179.53 1a0k n SER 129 N -4.14 0.10 -0.94 1.42 7.64 -0.92 -4.86 113.62 111.92 1a0k n SER 129 Ca -0.00 -1.91 -0.10 0.00 1.01 0.00 0.00 58.87 57.87 1a0k n SER 129 Cb 0.45 -0.05 -0.02 0.00 -1.01 0.00 0.00 64.21 63.58 1a0k n SER 129 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1a0k n GLU 130 N -0.44 -0.72 0.00 1.43 1.02 -0.97 -5.05 120.64 115.90 1a0k n GLU 130 Ca 0.00 0.62 0.04 0.00 -0.02 0.00 0.00 57.16 57.80 1a0k n GLU 130 Cb 0.03 -4.59 0.03 0.00 -0.02 0.00 0.00 31.44 26.89 1a0k n GLU 130 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59