#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lkj n SER 2 N 0.00 0.19 -1.90 -3.46 2.88 -1.26 -5.12 113.62 104.96 1lkj n SER 2 Ca 0.00 -3.02 0.00 0.00 -1.33 0.00 0.00 58.87 54.52 1lkj n SER 2 Cb 0.00 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 1lkj n SER 2 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1lkj n ASN 3 N 0.15 1.90 -4.69 -3.46 3.02 -1.26 -5.09 115.26 105.83 1lkj n ASN 3 Ca 0.16 -0.97 -0.41 0.00 -0.03 0.00 0.00 54.58 53.32 1lkj n ASN 3 Cb 0.72 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.90 1lkj n ASN 3 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1lkj n LEU 4 N 0.00 3.81 -4.83 3.41 4.77 -1.26 -4.97 117.00 117.92 1lkj n LEU 4 Ca 0.00 1.10 -0.29 0.00 -0.03 0.00 0.00 56.01 56.79 1lkj n LEU 4 Cb 0.00 -1.48 0.12 0.00 -2.33 0.00 0.00 43.42 39.74 1lkj n LEU 4 CO 0.00 -0.76 0.75 0.42 -1.33 0.00 0.00 177.39 176.47 1lkj s THR 5 N -1.20 1.99 0.24 -5.08 -4.23 -1.26 -4.76 115.64 101.33 1lkj s THR 5 Ca 0.61 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 61.05 1lkj s THR 5 Cb -0.52 -2.85 0.22 0.00 1.34 0.00 0.00 72.50 70.69 1lkj s THR 5 CO 0.58 0.00 1.87 -0.33 -0.54 0.00 0.00 174.62 176.20 1lkj h GLU 6 N -1.38 1.28 -0.26 3.99 5.08 -1.98 0.13 114.58 121.45 1lkj h GLU 6 Ca -0.48 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 57.74 1lkj h GLU 6 Cb 1.32 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1lkj h GLU 6 CO 0.61 0.91 0.13 0.93 -1.00 0.00 0.00 179.01 180.58 1lkj h GLU 7 N 1.29 0.37 -0.31 2.33 5.08 -1.99 0.24 114.58 121.59 1lkj h GLU 7 Ca 0.33 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.59 1lkj h GLU 7 Cb -0.02 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1lkj h GLU 7 CO -0.06 0.36 0.00 1.96 -1.00 0.00 0.00 179.01 180.27 1lkj h GLN 8 N 0.29 0.55 0.00 2.33 1.08 -1.85 -2.47 115.11 115.04 1lkj h GLN 8 Ca 0.09 -0.17 -0.06 0.00 -1.45 0.00 0.00 58.65 57.05 1lkj h GLN 8 Cb 0.11 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1lkj h GLN 8 CO -0.01 0.68 -0.30 0.82 -0.95 0.00 0.00 178.83 179.07 1lkj h ILE 9 N 0.35 1.20 -0.49 2.54 2.04 -0.83 -2.66 117.51 119.65 1lkj h ILE 9 Ca 0.09 -1.05 -0.13 0.00 1.00 0.00 0.00 64.86 64.77 1lkj h ILE 9 Cb 0.43 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1lkj h ILE 9 CO 0.02 0.30 -0.20 0.00 0.00 0.00 0.00 178.15 178.27 1lkj h ALA 10 N 1.70 0.71 -0.12 1.87 0.00 -0.23 -1.65 119.26 121.54 1lkj h ALA 10 Ca -0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1lkj h ALA 10 Cb 0.54 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1lkj h ALA 10 CO 0.04 0.67 0.02 1.49 0.00 0.00 0.00 179.25 181.48 1lkj h GLU 11 N 0.86 0.19 -0.65 0.00 4.57 -1.12 -2.54 114.58 115.90 1lkj h GLU 11 Ca 0.12 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1lkj h GLU 11 Cb 0.77 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.31 1lkj h GLU 11 CO 0.06 0.38 0.31 0.74 -1.18 0.00 0.00 179.01 179.33 1lkj h PHE 12 N -0.03 0.91 -0.92 0.92 0.04 -1.46 -2.38 116.94 114.02 1lkj h PHE 12 Ca 0.04 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1lkj h PHE 12 Cb 0.28 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 38.10 1lkj h PHE 12 CO 0.01 0.66 0.58 -0.22 -0.60 0.00 0.00 178.31 178.74 1lkj h LYS 13 N 0.91 1.23 -0.05 1.51 3.64 -1.10 0.47 116.57 123.18 1lkj h LYS 13 Ca 0.23 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1lkj h LYS 13 Cb 0.09 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1lkj h LYS 13 CO -0.03 0.84 0.01 0.93 -2.27 0.00 0.00 179.45 178.93 1lkj h GLU 14 N 1.25 0.08 -0.13 1.90 5.08 -1.01 0.10 114.58 121.86 1lkj h GLU 14 Ca 0.33 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.54 1lkj h GLU 14 Cb -0.09 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1lkj h GLU 14 CO -0.07 0.28 -0.51 0.00 -1.00 0.00 0.00 179.01 177.72 1lkj h ALA 15 N 0.80 0.90 -0.30 3.43 0.00 -1.25 -2.30 119.26 120.54 1lkj h ALA 15 Ca 0.02 -0.48 -0.19 0.00 0.00 0.00 0.00 54.91 54.26 1lkj h ALA 15 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1lkj h ALA 15 CO 0.00 0.67 -0.54 0.35 0.00 0.00 0.00 179.25 179.73 1lkj h PHE 16 N 0.27 1.11 0.00 0.00 3.04 0.06 -3.07 116.94 118.34 1lkj h PHE 16 Ca 0.01 -0.39 -0.09 0.00 3.98 0.00 0.00 57.97 61.47 1lkj h PHE 16 Cb 0.99 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.27 1lkj h PHE 16 CO 0.03 1.23 -0.45 0.00 -2.02 0.00 0.00 178.31 177.09 1lkj h ALA 17 N 0.69 1.10 -0.23 2.41 0.00 -0.74 -2.91 119.26 119.59 1lkj h ALA 17 Ca 0.02 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1lkj h ALA 17 Cb 1.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1lkj h ALA 17 CO 0.12 0.57 0.03 -0.07 0.00 0.00 0.00 179.25 179.89 1lkj h LEU 18 N 0.00 0.30 -3.59 0.00 3.38 -1.32 -2.19 115.31 111.90 1lkj h LEU 18 Ca -0.00 -0.04 -0.24 0.00 0.09 0.00 0.00 57.88 57.69 1lkj h LEU 18 Cb 0.88 -0.08 -0.14 0.00 0.09 0.00 0.00 40.66 41.41 1lkj h LEU 18 CO 0.06 0.33 0.19 0.49 0.09 0.00 0.00 178.44 179.61 1lkj n PHE 19 N -4.38 1.87 -4.76 1.13 3.01 -1.11 -4.96 117.46 108.26 1lkj n PHE 19 Ca 0.00 -1.45 -0.29 0.00 1.01 0.00 0.00 57.45 56.72 1lkj n PHE 19 Cb 0.17 -0.62 -0.14 0.00 -0.01 0.00 0.00 39.48 38.88 1lkj n PHE 19 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1lkj s ASP 20 N -1.79 3.12 0.00 4.37 2.15 -0.82 -4.78 116.67 118.91 1lkj s ASP 20 Ca 0.50 -0.62 0.00 0.00 0.43 0.00 0.00 52.55 52.86 1lkj s ASP 20 Cb 0.42 -0.26 0.00 0.00 -0.30 0.00 0.00 42.92 42.78 1lkj s ASP 20 CO 0.07 0.23 0.26 0.29 -0.17 0.00 0.00 175.17 175.85 1lkj n LYS 21 N 1.59 0.00 0.04 4.34 4.01 -1.26 -4.97 118.16 121.91 1lkj n LYS 21 Ca -0.17 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.63 1lkj n LYS 21 Cb 0.52 -0.74 0.00 0.00 -0.51 0.00 0.00 35.03 34.31 1lkj n LYS 21 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1lkj n ASP 22 N -0.44 -0.79 0.11 4.39 -0.08 -1.26 -4.99 116.55 113.49 1lkj n ASP 22 Ca 0.00 0.37 -0.13 0.00 -1.51 0.00 0.00 54.79 53.52 1lkj n ASP 22 Cb 0.00 0.99 -0.08 0.00 2.34 0.00 0.00 41.12 44.37 1lkj n ASP 22 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1lkj h ASN 23 N 0.00 -0.18 -3.34 1.67 4.21 -2.02 -3.41 115.58 112.50 1lkj h ASN 23 Ca 0.00 -0.07 -0.56 0.00 1.21 0.00 0.00 56.30 56.88 1lkj h ASN 23 Cb 0.00 0.05 -0.05 0.00 -1.12 0.00 0.00 38.32 37.20 1lkj h ASN 23 CO 0.00 -0.05 0.03 0.20 -1.29 0.00 0.00 177.43 176.33 1lkj s ASN 24 N -5.08 7.01 -0.69 5.81 -0.87 -1.26 -4.96 114.94 114.89 1lkj s ASN 24 Ca -0.14 1.21 -0.02 0.00 -1.57 0.00 0.00 52.86 52.33 1lkj s ASN 24 Cb 0.05 -2.39 0.44 0.00 -0.02 0.00 0.00 41.25 39.32 1lkj s ASN 24 CO 0.64 0.04 2.04 0.61 -2.57 0.00 0.00 177.10 177.86 1lkj n GLY 25 N 2.59 5.83 3.33 0.66 0.00 -1.26 -4.36 105.19 111.98 1lkj n GLY 25 Ca -0.05 -2.33 -0.21 0.00 0.00 0.00 0.00 46.02 43.43 1lkj n GLY 25 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lkj s SER 26 N -1.74 2.63 0.18 1.61 1.04 -1.26 -3.01 113.70 113.15 1lkj s SER 26 Ca 0.63 -0.88 0.08 0.00 0.48 0.00 0.00 55.95 56.26 1lkj s SER 26 Cb 0.50 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 1lkj s SER 26 CO -0.06 -0.06 -0.15 0.27 0.98 0.00 0.00 173.24 174.22 1lkj s ILE 27 N -2.17 1.68 0.58 -1.02 -4.36 -0.06 -4.76 121.20 111.11 1lkj s ILE 27 Ca 0.16 -2.06 -0.10 0.00 -0.26 0.00 0.00 60.65 58.39 1lkj s ILE 27 Cb -0.05 -1.92 -0.04 0.00 1.25 0.00 0.00 42.46 41.70 1lkj s ILE 27 CO 0.06 -0.51 0.97 -0.44 0.24 0.00 0.00 174.94 175.27 1lkj s SER 28 N -3.03 6.24 0.23 4.36 0.01 -1.26 -0.71 113.70 119.54 1lkj s SER 28 Ca 0.19 1.30 -0.07 0.00 1.31 0.00 0.00 55.95 58.68 1lkj s SER 28 Cb -0.02 -2.42 0.20 0.00 0.21 0.00 0.00 66.02 63.99 1lkj s SER 28 CO 0.06 -0.79 1.85 0.77 0.41 0.00 0.00 173.24 175.53 1lkj h SER 29 N -0.17 1.13 -0.29 2.44 4.64 -1.99 -1.66 113.55 117.64 1lkj h SER 29 Ca -0.45 -0.11 0.08 0.00 -0.47 0.00 0.00 61.79 60.85 1lkj h SER 29 Cb 1.19 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 1lkj h SER 29 CO 0.62 0.91 0.31 -1.28 -0.87 0.00 0.00 176.83 176.52 1lkj h SER 30 N 1.26 0.00 0.48 4.97 0.87 -1.98 0.11 113.55 119.26 1lkj h SER 30 Ca 0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1lkj h SER 30 Cb 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1lkj h SER 30 CO -0.05 0.00 -1.25 -0.62 -0.53 0.00 0.00 176.83 174.39 1lkj n GLU 31 N -3.81 0.46 0.01 2.24 1.02 -0.67 -4.32 120.64 115.56 1lkj n GLU 31 Ca 0.04 -0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.07 1lkj n GLU 31 Cb 0.46 -1.64 -0.05 0.00 -0.02 0.00 0.00 31.44 30.19 1lkj n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1lkj h LEU 32 N 0.00 -0.14 -0.96 -4.62 5.85 -0.26 0.37 115.31 115.54 1lkj h LEU 32 Ca 0.00 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1lkj h LEU 32 Cb 0.86 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 1lkj h LEU 32 CO 0.00 -0.06 0.63 0.00 -0.34 0.00 0.00 178.44 178.67 1lkj h ALA 33 N 1.06 1.26 -0.51 1.25 0.00 -1.75 -2.04 119.26 118.53 1lkj h ALA 33 Ca 0.05 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1lkj h ALA 33 Cb 0.11 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1lkj h ALA 33 CO -0.11 0.55 -0.10 1.15 0.00 0.00 0.00 179.25 180.73 1lkj h THR 34 N 1.25 1.26 -0.75 0.00 2.02 -1.62 -2.50 112.91 112.58 1lkj h THR 34 Ca 0.37 -1.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.31 1lkj h THR 34 Cb -0.05 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1lkj h THR 34 CO -0.11 0.43 0.39 0.58 0.37 0.00 0.00 175.52 177.18 1lkj h VAL 35 N 0.84 1.23 -0.29 3.16 2.07 -0.26 -2.01 116.25 120.98 1lkj h VAL 35 Ca 0.14 -0.59 -0.12 0.00 0.82 0.00 0.00 66.70 66.95 1lkj h VAL 35 Cb 0.64 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1lkj h VAL 35 CO 0.04 0.26 -0.31 0.24 0.02 0.00 0.00 177.57 177.82 1lkj h MET 36 N 1.05 0.61 -0.12 1.57 2.86 -1.17 -1.53 114.93 118.20 1lkj h MET 36 Ca 0.26 -0.27 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 1lkj h MET 36 Cb 0.05 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1lkj h MET 36 CO -0.04 0.85 -0.29 0.00 1.06 0.00 0.00 176.91 178.49 1lkj h ARG 37 N 0.52 0.23 0.11 1.72 3.08 -0.96 -0.05 114.38 119.02 1lkj h ARG 37 Ca 0.06 -0.08 -0.27 0.00 0.07 0.00 0.00 59.98 59.76 1lkj h ARG 37 Cb 0.80 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1lkj h ARG 37 CO 0.07 0.50 -1.21 0.77 -1.07 0.00 0.00 179.97 179.03 1lkj h SER 38 N 0.20 0.44 0.37 7.04 0.02 -1.12 -3.23 113.55 117.28 1lkj h SER 38 Ca 0.03 -0.45 -0.04 0.00 -0.84 0.00 0.00 61.79 60.49 1lkj h SER 38 Cb 0.62 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1lkj h SER 38 CO 0.04 1.34 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.83 1lkj h LEU 39 N 0.09 0.00 0.00 5.07 3.38 -1.09 -3.45 115.31 119.31 1lkj h LEU 39 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1lkj h LEU 39 Cb 1.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1lkj h LEU 39 CO 0.20 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.51 1lkj n GLY 40 N -0.66 1.52 3.79 0.83 0.00 -1.04 -5.11 105.19 104.53 1lkj n GLY 40 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1lkj n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lkj s LEU 41 N 0.00 2.22 -0.42 0.99 1.43 -0.06 -5.02 118.68 117.82 1lkj s LEU 41 Ca 0.00 -1.69 0.03 0.00 -1.03 0.00 0.00 54.13 51.44 1lkj s LEU 41 Cb 0.00 -0.72 0.27 0.00 0.03 0.00 0.00 46.19 45.77 1lkj s LEU 41 CO 0.00 -0.92 1.08 -0.24 0.23 0.00 0.00 176.35 176.50 1lkj n SER 42 N -1.33 -2.13 -4.75 2.29 2.88 -1.26 -4.36 113.62 104.96 1lkj n SER 42 Ca -0.21 -2.67 -0.41 0.00 -1.33 0.00 0.00 58.87 54.25 1lkj n SER 42 Cb 0.67 1.38 -0.04 0.00 -0.75 0.00 0.00 64.21 65.47 1lkj n SER 42 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1lkj s PRO 43 N 0.39 4.58 1.14 -1.46 0.04 -1.26 -5.01 135.00 133.42 1lkj s PRO 43 Ca 0.28 1.85 -0.12 0.00 0.04 0.00 0.00 61.00 63.04 1lkj s PRO 43 Cb 0.23 -3.20 0.27 0.00 0.04 0.00 0.00 34.50 31.85 1lkj s PRO 43 CO -0.16 0.10 1.04 -1.12 0.04 0.00 0.00 177.00 176.90 1lkj s SER 44 N -0.55 1.09 0.57 6.66 0.01 -1.26 -4.67 113.70 115.55 1lkj s SER 44 Ca 0.47 1.64 0.26 0.00 1.31 0.00 0.00 55.95 59.63 1lkj s SER 44 Cb -0.33 -2.37 1.61 0.00 0.21 0.00 0.00 66.02 65.15 1lkj s SER 44 CO 0.40 -4.15 2.17 -0.08 0.41 0.00 0.00 173.24 172.00 1lkj h GLU 45 N -2.59 0.00 -0.18 12.44 4.81 -2.00 -1.71 114.58 125.35 1lkj h GLU 45 Ca -0.59 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.45 1lkj h GLU 45 Cb 1.33 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.71 1lkj h GLU 45 CO 0.48 0.00 -0.62 0.00 -0.73 0.00 0.00 179.01 178.15 1lkj h ALA 46 N 1.92 0.32 -0.49 2.92 0.00 -2.00 -2.63 119.26 119.31 1lkj h ALA 46 Ca 0.04 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 1lkj h ALA 46 Cb 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1lkj h ALA 46 CO -0.00 0.58 -0.01 0.93 0.00 0.00 0.00 179.25 180.76 1lkj h GLU 47 N 0.46 0.82 -0.28 0.00 5.08 -1.64 -1.97 114.58 117.05 1lkj h GLU 47 Ca -0.03 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 1lkj h GLU 47 Cb 1.24 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1lkj h GLU 47 CO 0.13 0.83 0.01 0.28 -1.00 0.00 0.00 179.01 179.26 1lkj h VAL 48 N 0.76 1.25 -0.80 3.13 2.07 -1.44 -2.07 116.25 119.15 1lkj h VAL 48 Ca 0.15 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 1lkj h VAL 48 Cb 0.47 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 1lkj h VAL 48 CO 0.02 0.29 0.41 -1.13 0.02 0.00 0.00 177.57 177.18 1lkj h ASN 49 N 0.29 1.03 -0.31 0.57 -0.73 -1.30 -1.44 115.58 113.69 1lkj h ASN 49 Ca 0.08 -0.11 -0.02 0.00 1.87 0.00 0.00 56.30 58.13 1lkj h ASN 49 Cb 0.41 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 1lkj h ASN 49 CO 0.01 0.85 0.12 -0.78 -0.37 0.00 0.00 177.43 177.27 1lkj h ASP 50 N 1.14 0.43 -0.36 1.15 1.82 -1.18 -0.07 116.42 119.34 1lkj h ASP 50 Ca 0.28 -0.16 -0.01 0.00 -0.39 0.00 0.00 57.03 56.75 1lkj h ASP 50 Cb 0.08 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 39.96 1lkj h ASP 50 CO -0.04 0.48 0.19 -0.07 -1.61 0.00 0.00 179.24 178.18 1lkj h LEU 51 N 0.35 0.46 -1.55 2.28 4.07 -1.05 -2.09 115.31 117.77 1lkj h LEU 51 Ca 0.10 -0.11 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 1lkj h LEU 51 Cb 0.18 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 1lkj h LEU 51 CO -0.01 0.44 -0.23 0.24 -1.08 0.00 0.00 178.44 177.79 1lkj h MET 52 N 0.45 0.00 -0.50 1.13 2.86 -1.11 -2.31 114.93 115.45 1lkj h MET 52 Ca 0.13 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1lkj h MET 52 Cb 0.09 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1lkj h MET 52 CO -0.02 0.23 0.07 -0.97 1.06 0.00 0.00 176.91 177.28 1lkj h ASN 53 N 0.00 0.80 -0.23 1.22 -0.73 -0.33 0.18 115.58 116.49 1lkj h ASN 53 Ca -0.00 -0.27 -0.07 0.00 1.87 0.00 0.00 56.30 57.83 1lkj h ASN 53 Cb 0.43 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.81 1lkj h ASN 53 CO 0.03 0.87 -0.14 -0.08 -0.37 0.00 0.00 177.43 177.74 1lkj h GLU 54 N 0.71 0.50 0.66 6.67 4.57 -1.09 -3.32 114.58 123.28 1lkj h GLU 54 Ca 0.15 -0.23 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 1lkj h GLU 54 Cb 0.41 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1lkj h GLU 54 CO 0.01 0.79 -0.32 0.82 -1.18 0.00 0.00 179.01 179.13 1lkj h ILE 55 N 0.21 0.00 -0.45 2.32 2.04 -1.34 -3.36 117.51 116.92 1lkj h ILE 55 Ca 0.05 -0.25 -0.15 0.00 1.00 0.00 0.00 64.86 65.51 1lkj h ILE 55 Cb 0.65 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1lkj h ILE 55 CO 0.04 0.00 0.42 -0.62 0.00 0.00 0.00 178.15 177.99 1lkj s ASP 56 N -4.20 4.40 -0.01 1.72 -1.08 0.62 -4.77 116.67 113.36 1lkj s ASP 56 Ca -0.13 -0.61 -0.03 0.00 -0.52 0.00 0.00 52.55 51.26 1lkj s ASP 56 Cb 0.01 -2.57 -0.01 0.00 -1.46 0.00 0.00 42.92 38.89 1lkj s ASP 56 CO 0.39 -3.53 0.46 0.58 0.52 0.00 0.00 175.17 173.59 1lkj h VAL 57 N 7.17 0.00 0.00 1.11 2.07 -1.77 -3.43 116.25 121.40 1lkj h VAL 57 Ca 0.07 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1lkj h VAL 57 Cb 0.99 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1lkj h VAL 57 CO 1.11 0.00 -0.88 -0.67 0.02 0.00 0.00 177.57 177.15 1lkj n ASP 58 N -2.50 1.87 0.00 0.57 -0.08 -1.26 -5.01 116.55 110.15 1lkj n ASP 58 Ca -0.01 0.49 0.00 0.00 -1.51 0.00 0.00 54.79 53.76 1lkj n ASP 58 Cb 0.04 -0.83 0.00 0.00 2.34 0.00 0.00 41.12 42.66 1lkj n ASP 58 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1lkj n GLY 59 N 1.52 -0.39 3.49 0.27 0.00 -1.26 -5.13 105.19 103.70 1lkj n GLY 59 Ca -0.15 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 1lkj n GLY 59 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1lkj s ASN 60 N -2.17 3.92 -0.30 1.61 2.47 -1.26 -4.94 114.94 114.27 1lkj s ASN 60 Ca 0.00 -0.50 -0.08 0.00 0.42 0.00 0.00 52.86 52.70 1lkj s ASN 60 Cb 0.00 -0.60 0.18 0.00 -1.45 0.00 0.00 41.25 39.38 1lkj s ASN 60 CO 0.00 0.20 0.86 -2.28 -3.72 0.00 0.00 177.10 172.16 1lkj s HIS 61 N -1.08 -0.98 -0.12 0.43 5.65 -1.26 -4.66 115.29 113.27 1lkj s HIS 61 Ca 0.17 1.06 -0.27 0.00 0.25 0.00 0.00 55.06 56.28 1lkj s HIS 61 Cb -0.11 0.35 -0.02 0.00 -1.18 0.00 0.00 32.58 31.63 1lkj s HIS 61 CO 0.09 -0.54 0.88 -0.65 -0.65 0.00 0.00 174.74 173.88 1lkj s GLN 62 N 2.90 4.38 -0.32 2.88 -0.21 -1.26 -4.48 119.66 123.55 1lkj s GLN 62 Ca 0.08 1.15 -0.29 0.00 0.02 0.00 0.00 55.36 56.32 1lkj s GLN 62 Cb -0.12 -3.53 0.02 0.00 1.00 0.00 0.00 33.01 30.37 1lkj s GLN 62 CO -0.15 -0.24 1.08 0.42 -2.12 0.00 0.00 175.29 174.28 1lkj s ILE 63 N 1.79 4.51 0.53 1.08 1.01 0.11 -4.81 121.20 125.42 1lkj s ILE 63 Ca 0.43 1.74 -0.07 0.00 0.00 0.00 0.00 60.65 62.75 1lkj s ILE 63 Cb -0.18 -4.42 -0.04 0.00 0.01 0.00 0.00 42.46 37.84 1lkj s ILE 63 CO 0.17 -0.48 0.86 -1.61 0.00 0.00 0.00 174.94 173.88 1lkj s GLU 64 N 3.65 3.53 0.58 2.79 8.01 -1.26 -0.88 118.70 135.12 1lkj s GLU 64 Ca 0.45 0.35 0.28 0.00 0.01 0.00 0.00 54.97 56.07 1lkj s GLU 64 Cb -0.12 -2.28 1.60 0.00 -4.31 0.00 0.00 34.13 29.02 1lkj s GLU 64 CO 0.15 -0.34 2.08 0.35 0.01 0.00 0.00 175.26 177.51 1lkj h PHE 65 N 0.04 0.00 0.02 1.61 3.57 -1.94 -0.12 116.94 120.12 1lkj h PHE 65 Ca -0.46 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.04 1lkj h PHE 65 Cb 1.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1lkj h PHE 65 CO 0.60 0.00 -0.01 0.77 -2.23 0.00 0.00 178.31 177.44 1lkj h SER 66 N 0.00 -0.02 -0.11 0.41 0.02 -1.92 -2.24 113.55 109.69 1lkj h SER 66 Ca 0.11 -0.62 -0.09 0.00 -0.84 0.00 0.00 61.79 60.35 1lkj h SER 66 Cb 0.57 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1lkj h SER 66 CO -0.00 0.62 -0.19 -0.33 -1.14 0.00 0.00 176.83 175.79 1lkj h GLU 67 N -0.67 0.51 0.13 3.45 4.39 -1.75 -2.61 114.58 118.02 1lkj h GLU 67 Ca -0.00 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1lkj h GLU 67 Cb 0.64 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1lkj h GLU 67 CO 0.00 0.68 -0.06 0.35 -1.16 0.00 0.00 179.01 178.82 1lkj h PHE 68 N 0.46 -0.16 -0.89 4.33 3.57 -1.08 -1.61 116.94 121.56 1lkj h PHE 68 Ca 0.08 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.66 1lkj h PHE 68 Cb 0.59 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 1lkj h PHE 68 CO 0.02 0.10 0.58 -0.07 -2.23 0.00 0.00 178.31 176.71 1lkj h LEU 69 N -0.42 0.82 -0.14 0.59 3.38 -1.33 0.15 115.31 118.36 1lkj h LEU 69 Ca -0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1lkj h LEU 69 Cb 0.34 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1lkj h LEU 69 CO 0.03 0.49 0.01 0.00 0.09 0.00 0.00 178.44 179.06 1lkj h ALA 70 N 1.55 0.19 -0.72 1.53 0.00 -1.28 -1.51 119.26 119.01 1lkj h ALA 70 Ca 0.41 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1lkj h ALA 70 Cb 0.36 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1lkj h ALA 70 CO -0.17 -0.13 0.33 -0.07 0.00 0.00 0.00 179.25 179.21 1lkj h LEU 71 N -0.01 0.95 -1.46 0.00 3.38 -0.60 -2.12 115.31 115.45 1lkj h LEU 71 Ca 0.04 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1lkj h LEU 71 Cb 0.34 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1lkj h LEU 71 CO 0.01 0.83 -0.22 0.24 0.09 0.00 0.00 178.44 179.39 1lkj h MET 72 N 1.01 0.07 -0.26 1.13 2.86 -0.89 -2.72 114.93 116.12 1lkj h MET 72 Ca 0.24 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.80 1lkj h MET 72 Cb 0.14 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1lkj h MET 72 CO -0.03 0.29 -0.09 1.03 1.06 0.00 0.00 176.91 179.17 1lkj h SER 73 N 0.06 0.54 -0.79 1.22 0.87 -0.61 0.46 113.55 115.30 1lkj h SER 73 Ca 0.01 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.18 1lkj h SER 73 Cb 0.43 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.21 1lkj h SER 73 CO 0.03 0.80 0.45 0.08 -0.53 0.00 0.00 176.83 177.66 1lkj h ARG 74 N 0.27 1.10 0.04 2.24 0.11 -1.23 -3.06 114.38 113.86 1lkj h ARG 74 Ca 0.06 -0.11 -0.08 0.00 0.10 0.00 0.00 59.98 59.95 1lkj h ARG 74 Cb 0.58 -0.22 0.01 0.00 1.11 0.00 0.00 29.97 31.44 1lkj h ARG 74 CO 0.03 0.80 -0.34 1.96 0.10 0.00 0.00 179.97 182.52 1lkj h GLN 75 N 1.11 0.15 -4.70 0.08 4.20 -1.36 -3.37 115.11 111.22 1lkj h GLN 75 Ca 0.28 -0.22 -0.70 0.00 0.06 0.00 0.00 58.65 58.07 1lkj h GLN 75 Cb 0.00 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.80 1lkj h GLN 75 CO -0.05 1.05 2.71 1.28 -0.67 0.00 0.00 178.83 183.16 1lkj n LEU 76 N -4.42 6.10 0.00 1.46 4.77 0.16 -4.85 117.00 120.21 1lkj n LEU 76 Ca -0.11 -4.08 0.00 0.00 -0.03 0.00 0.00 56.01 51.79 1lkj n LEU 76 Cb 0.60 -1.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.00 1lkj n LEU 76 CO 0.40 0.75 0.00 2.29 -1.33 0.00 0.00 177.39 179.50 1lkj n LYS 77 N 6.88 2.02 -3.45 3.23 2.85 -1.25 -4.78 118.16 123.67 1lkj n LYS 77 Ca 0.50 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.55 1lkj n LYS 77 Cb 0.42 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 34.86 1lkj n LYS 77 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1lkj n SER 78 N 0.00 -5.32 -3.85 -5.58 7.64 -1.26 -5.00 113.62 100.25 1lkj n SER 78 Ca 0.00 -0.81 -0.28 0.00 1.01 0.00 0.00 58.87 58.79 1lkj n SER 78 Cb 0.00 -4.50 -0.17 0.00 -1.01 0.00 0.00 64.21 58.53 1lkj n SER 78 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1lkj s ASN 79 N -3.59 2.76 -0.39 6.43 4.22 -1.26 -5.07 114.94 118.05 1lkj s ASN 79 Ca 0.38 -0.65 0.07 0.00 -2.14 0.00 0.00 52.86 50.52 1lkj s ASN 79 Cb -0.08 -0.82 0.18 0.00 1.28 0.00 0.00 41.25 41.81 1lkj s ASN 79 CO 0.79 -0.21 0.61 -1.81 -2.04 0.00 0.00 177.10 174.44 1lkj s ASP 80 N 1.70 -1.43 0.07 3.54 1.01 -1.26 -5.01 116.67 115.28 1lkj s ASP 80 Ca 0.01 -0.64 -0.07 0.00 0.71 0.00 0.00 52.55 52.56 1lkj s ASP 80 Cb -0.15 1.92 -0.30 0.00 1.01 0.00 0.00 42.92 45.39 1lkj s ASP 80 CO -0.07 -0.20 1.11 0.28 0.21 0.00 0.00 175.17 176.50 1lkj h SER 81 N 7.19 0.53 -0.86 0.27 0.02 -2.01 -3.29 113.55 115.41 1lkj h SER 81 Ca 0.04 -0.57 0.04 0.00 -0.84 0.00 0.00 61.79 60.46 1lkj h SER 81 Cb 1.18 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.49 1lkj h SER 81 CO 0.11 1.44 0.56 1.05 -1.14 0.00 0.00 176.83 178.86 1lkj h GLU 82 N 0.09 1.01 -0.79 3.45 4.11 -1.95 -1.75 114.58 118.76 1lkj h GLU 82 Ca -0.16 -0.06 -0.04 0.00 0.07 0.00 0.00 59.36 59.17 1lkj h GLU 82 Cb 2.02 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 31.00 1lkj h GLU 82 CO 0.22 0.67 0.34 1.96 0.07 0.00 0.00 179.01 182.27 1lkj h GLN 83 N 1.04 1.15 -0.18 1.06 4.20 -1.99 -1.28 115.11 119.11 1lkj h GLN 83 Ca 0.35 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 1lkj h GLN 83 Cb 0.07 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1lkj h GLN 83 CO -0.11 0.91 0.10 0.93 -0.67 0.00 0.00 178.83 180.00 1lkj h GLU 84 N 1.13 0.25 -0.33 1.46 5.08 -1.40 0.56 114.58 121.33 1lkj h GLU 84 Ca 0.27 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1lkj h GLU 84 Cb 0.17 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1lkj h GLU 84 CO -0.03 0.24 0.14 -0.07 -1.00 0.00 0.00 179.01 178.29 1lkj h LEU 85 N 0.19 0.45 -1.79 1.33 3.38 -1.26 -2.19 115.31 115.43 1lkj h LEU 85 Ca 0.06 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1lkj h LEU 85 Cb 0.06 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1lkj h LEU 85 CO -0.01 0.49 -0.15 -0.07 0.09 0.00 0.00 178.44 178.79 1lkj h LEU 86 N 0.39 0.00 -0.19 1.67 3.38 -1.05 -2.66 115.31 116.84 1lkj h LEU 86 Ca 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1lkj h LEU 86 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1lkj h LEU 86 CO -0.01 0.15 -0.05 -0.08 0.09 0.00 0.00 178.44 178.54 1lkj h GLU 87 N 0.00 0.38 -0.17 1.13 4.22 -0.27 -2.03 114.58 117.84 1lkj h GLU 87 Ca -0.00 -0.15 -0.00 0.00 0.08 0.00 0.00 59.36 59.29 1lkj h GLU 87 Cb 0.30 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1lkj h GLU 87 CO 0.02 0.64 0.10 0.00 -2.18 0.00 0.00 179.01 177.59 1lkj h ALA 88 N 0.73 0.22 0.00 2.92 0.00 -1.14 -1.89 119.26 120.10 1lkj h ALA 88 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1lkj h ALA 88 Cb 0.51 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1lkj h ALA 88 CO 0.02 -0.27 -0.04 0.74 0.00 0.00 0.00 179.25 179.70 1lkj h PHE 89 N 0.20 0.00 -0.25 0.00 0.04 -1.48 -2.21 116.94 113.23 1lkj h PHE 89 Ca 0.06 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.70 1lkj h PHE 89 Cb 0.03 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.18 1lkj h PHE 89 CO -0.05 0.04 -0.35 -0.22 -0.60 0.00 0.00 178.31 177.13 1lkj h LYS 90 N 0.00 0.68 -0.84 1.51 3.64 -0.59 -2.63 116.57 118.34 1lkj h LYS 90 Ca -0.00 -0.40 -0.03 0.00 -1.27 0.00 0.00 60.65 58.95 1lkj h LYS 90 Cb 0.08 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1lkj h LYS 90 CO 0.01 1.01 0.40 0.28 -2.27 0.00 0.00 179.45 178.88 1lkj h VAL 91 N 0.40 1.26 0.00 2.00 2.07 -0.82 -2.13 116.25 119.02 1lkj h VAL 91 Ca 0.03 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.74 1lkj h VAL 91 Cb 0.94 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1lkj h VAL 91 CO 0.08 0.31 -0.34 -0.26 0.02 0.00 0.00 177.57 177.38 1lkj h PHE 92 N 1.20 0.00 -3.38 1.57 -1.00 -1.44 -3.42 116.94 110.47 1lkj h PHE 92 Ca 0.29 0.00 -0.54 0.00 2.81 0.00 0.00 57.97 60.53 1lkj h PHE 92 Cb 0.12 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 1lkj h PHE 92 CO 0.02 0.34 0.41 0.34 -1.61 0.00 0.00 178.31 177.81 1lkj s ASP 93 N -6.92 7.33 -0.09 2.17 2.15 -0.80 -4.92 116.67 115.60 1lkj s ASP 93 Ca -0.03 1.67 0.11 0.00 0.43 0.00 0.00 52.55 54.73 1lkj s ASP 93 Cb 0.14 -2.57 -0.16 0.00 -0.30 0.00 0.00 42.92 40.04 1lkj s ASP 93 CO 0.72 -0.30 0.11 1.17 -0.17 0.00 0.00 175.17 176.70 1lkj n LYS 94 N 4.04 1.57 0.06 4.34 3.00 -1.26 -4.51 118.16 125.39 1lkj n LYS 94 Ca 0.07 -0.04 -0.05 0.00 -0.00 0.00 0.00 58.31 58.29 1lkj n LYS 94 Cb 0.50 -1.30 0.16 0.00 0.00 0.00 0.00 35.03 34.39 1lkj n LYS 94 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 1lkj h ASN 95 N 0.00 0.38 -0.20 3.14 -1.24 -1.92 -3.47 115.58 112.27 1lkj h ASN 95 Ca -0.22 -0.18 0.00 0.00 0.71 0.00 0.00 56.30 56.61 1lkj h ASN 95 Cb 1.38 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 40.32 1lkj h ASN 95 CO 0.01 0.79 0.00 0.61 -1.29 0.00 0.00 177.43 177.55 1lkj n GLY 96 N -0.02 1.18 0.00 1.57 0.00 -1.26 -4.99 105.19 101.67 1lkj n GLY 96 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1lkj n GLY 96 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lkj n ASP 97 N 0.60 0.81 -3.22 1.61 9.92 -1.26 -5.00 116.55 120.00 1lkj n ASP 97 Ca 0.00 -1.33 -0.22 0.00 -0.53 0.00 0.00 54.79 52.71 1lkj n ASP 97 Cb 0.17 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 40.72 1lkj n ASP 97 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1lkj n GLY 98 N -0.17 -0.43 2.89 0.44 0.00 -1.26 -4.96 105.19 101.70 1lkj n GLY 98 Ca 0.00 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1lkj n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lkj s LEU 99 N -6.68 1.78 0.20 0.99 1.43 -1.26 -2.40 118.68 112.74 1lkj s LEU 99 Ca 0.48 -0.78 0.07 0.00 -1.03 0.00 0.00 54.13 52.87 1lkj s LEU 99 Cb -0.21 -0.95 -0.05 0.00 0.03 0.00 0.00 46.19 45.02 1lkj s LEU 99 CO 0.59 -0.20 -0.13 0.27 0.23 0.00 0.00 176.35 177.11 1lkj s ILE 100 N 1.60 1.63 0.63 -0.59 -4.36 -0.91 -4.86 121.20 114.34 1lkj s ILE 100 Ca -0.01 -2.18 -0.11 0.00 -0.26 0.00 0.00 60.65 58.09 1lkj s ILE 100 Cb -0.16 -2.03 -0.03 0.00 1.25 0.00 0.00 42.46 41.49 1lkj s ILE 100 CO -0.07 -0.61 1.04 -0.44 0.24 0.00 0.00 174.94 175.10 1lkj s SER 101 N -3.30 6.10 0.42 4.36 0.01 -1.26 -0.77 113.70 119.26 1lkj s SER 101 Ca 0.22 1.40 0.19 0.00 1.31 0.00 0.00 55.95 59.07 1lkj s SER 101 Cb 0.00 -2.42 1.11 0.00 0.21 0.00 0.00 66.02 64.92 1lkj s SER 101 CO 0.06 -0.95 1.83 0.00 0.41 0.00 0.00 173.24 174.59 1lkj h ALA 102 N -0.38 2.25 -0.27 1.44 0.00 -1.96 -0.11 119.26 120.23 1lkj h ALA 102 Ca -0.44 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1lkj h ALA 102 Cb 1.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1lkj h ALA 102 CO 0.62 -0.57 0.10 0.00 0.00 0.00 0.00 179.25 179.40 1lkj h ALA 103 N 1.60 0.35 -0.58 0.00 0.00 -1.99 -2.01 119.26 116.63 1lkj h ALA 103 Ca 0.50 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 1lkj h ALA 103 Cb 1.30 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1lkj h ALA 103 CO -0.20 -0.04 0.10 0.93 0.00 0.00 0.00 179.25 180.04 1lkj h GLU 104 N 0.28 0.93 -0.82 0.00 5.08 -1.41 -2.28 114.58 116.36 1lkj h GLU 104 Ca 0.09 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1lkj h GLU 104 Cb 0.20 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 1lkj h GLU 104 CO -0.01 0.86 0.47 1.25 -1.00 0.00 0.00 179.01 180.58 1lkj h LEU 105 N 0.88 1.01 -0.40 1.33 5.85 -1.01 -1.25 115.31 121.72 1lkj h LEU 105 Ca 0.18 -0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.69 1lkj h LEU 105 Cb 0.37 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1lkj h LEU 105 CO 0.01 0.80 -0.31 0.50 -0.34 0.00 0.00 178.44 179.10 1lkj h LYS 106 N 1.14 0.91 0.00 1.25 3.64 -0.98 -2.41 116.57 120.12 1lkj h LYS 106 Ca 0.29 -0.45 -0.06 0.00 -1.27 0.00 0.00 60.65 59.17 1lkj h LYS 106 Cb -0.00 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1lkj h LYS 106 CO -0.05 1.10 -0.26 1.25 -2.27 0.00 0.00 179.45 179.22 1lkj h HIS 107 N 0.73 0.00 -0.01 1.91 2.76 -1.00 -2.40 115.15 117.13 1lkj h HIS 107 Ca 0.07 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.17 1lkj h HIS 107 Cb 0.89 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.86 1lkj h HIS 107 CO 0.06 0.26 -0.27 0.28 -1.30 0.00 0.00 177.93 176.96 1lkj h VAL 108 N 0.00 1.51 0.00 5.26 2.07 -1.02 -2.05 116.25 122.03 1lkj h VAL 108 Ca -0.00 -1.88 -0.03 0.00 0.82 0.00 0.00 66.70 65.61 1lkj h VAL 108 Cb 0.56 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1lkj h VAL 108 CO 0.03 0.52 -0.14 -0.07 0.02 0.00 0.00 177.57 177.93 1lkj h LEU 109 N -0.41 0.00 0.05 2.57 3.38 -1.34 -1.72 115.31 117.84 1lkj h LEU 109 Ca -0.03 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.71 1lkj h LEU 109 Cb 1.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1lkj h LEU 109 CO 0.05 0.14 -1.09 0.74 0.09 0.00 0.00 178.44 178.37 1lkj h THR 110 N 0.00 1.63 -0.17 0.22 2.02 -1.44 -3.18 112.91 112.00 1lkj h THR 110 Ca -0.00 -3.29 -0.21 0.00 0.77 0.00 0.00 66.41 63.68 1lkj h THR 110 Cb 0.27 2.89 0.01 0.00 -1.74 0.00 0.00 68.15 69.57 1lkj h THR 110 CO 0.02 0.95 -0.72 0.28 0.37 0.00 0.00 175.52 176.41 1lkj h SER 111 N 0.03 0.87 0.34 4.18 0.02 -0.76 -3.04 113.55 115.17 1lkj h SER 111 Ca -0.06 -0.54 -0.04 0.00 -0.84 0.00 0.00 61.79 60.31 1lkj h SER 111 Cb 1.85 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 64.13 1lkj h SER 111 CO 0.16 1.33 -0.17 0.40 -1.14 0.00 0.00 176.83 177.41 1lkj h ILE 112 N 0.52 0.80 -0.09 3.27 2.04 -1.42 -3.46 117.51 119.17 1lkj h ILE 112 Ca -0.03 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1lkj h ILE 112 Cb 1.33 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 1lkj h ILE 112 CO 0.15 0.17 0.00 0.61 0.00 0.00 0.00 178.15 179.08 1lkj n GLY 113 N -0.71 0.60 3.78 5.37 0.00 -1.15 -5.04 105.19 108.04 1lkj n GLY 113 Ca -0.02 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 1lkj n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lkj s GLU 114 N -3.73 2.25 -1.36 1.61 0.41 -1.21 -4.92 118.70 111.75 1lkj s GLU 114 Ca 0.00 0.95 -0.06 0.00 -0.41 0.00 0.00 54.97 55.45 1lkj s GLU 114 Cb 0.00 -1.91 0.09 0.00 -1.78 0.00 0.00 34.13 30.53 1lkj s GLU 114 CO 0.00 -1.58 2.44 1.63 -0.49 0.00 0.00 175.26 177.26 1lkj n LYS 115 N -3.45 4.42 -3.76 1.61 4.01 -1.26 -4.86 118.16 114.86 1lkj n LYS 115 Ca 0.08 -3.28 -0.24 0.00 -0.51 0.00 0.00 58.31 54.36 1lkj n LYS 115 Cb 0.54 -2.67 -0.17 0.00 -0.51 0.00 0.00 35.03 32.21 1lkj n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1lkj s LEU 116 N -1.69 0.65 0.00 -0.35 1.43 -1.26 -5.11 118.68 112.36 1lkj s LEU 116 Ca 0.56 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 53.35 1lkj s LEU 116 Cb 0.18 -0.45 0.18 0.00 0.03 0.00 0.00 46.19 46.13 1lkj s LEU 116 CO -0.09 -0.21 1.08 0.35 0.23 0.00 0.00 176.35 177.71 1lkj n THR 117 N 5.14 0.00 0.23 5.49 -2.24 -1.26 -4.86 114.28 116.78 1lkj n THR 117 Ca -0.07 -0.90 0.08 0.00 -2.27 0.00 0.00 64.05 60.89 1lkj n THR 117 Cb 0.50 -1.50 0.57 0.00 -2.10 0.00 0.00 70.33 67.79 1lkj n THR 117 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1lkj h ASP 118 N -1.33 0.00 -0.37 3.42 5.19 -2.01 -2.71 116.42 118.62 1lkj h ASP 118 Ca -0.35 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.00 1lkj h ASP 118 Cb 1.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.50 1lkj h ASP 118 CO 0.26 0.19 -0.01 0.00 -3.12 0.00 0.00 179.24 176.56 1lkj h ALA 119 N 1.81 0.50 -0.11 3.45 0.00 -1.99 -1.48 119.26 121.43 1lkj h ALA 119 Ca -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1lkj h ALA 119 Cb 0.38 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1lkj h ALA 119 CO 0.02 0.27 0.04 0.93 0.00 0.00 0.00 179.25 180.52 1lkj h GLU 120 N 0.47 0.17 -0.08 0.00 4.39 -1.84 -2.47 114.58 115.21 1lkj h GLU 120 Ca 0.10 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1lkj h GLU 120 Cb 0.48 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1lkj h GLU 120 CO 0.02 0.29 -0.00 0.28 -1.16 0.00 0.00 179.01 178.44 1lkj h VAL 121 N 0.01 1.06 -0.20 3.13 2.07 -1.47 -2.34 116.25 118.51 1lkj h VAL 121 Ca 0.04 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1lkj h VAL 121 Cb 0.19 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1lkj h VAL 121 CO -0.00 0.07 0.06 0.44 0.02 0.00 0.00 177.57 178.16 1lkj h ASP 122 N 0.11 0.29 0.19 0.57 5.19 -0.83 0.28 116.42 122.22 1lkj h ASP 122 Ca 0.03 -0.21 -0.05 0.00 -0.62 0.00 0.00 57.03 56.18 1lkj h ASP 122 Cb 0.09 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 1lkj h ASP 122 CO 0.00 0.43 -0.20 -0.78 -3.12 0.00 0.00 179.24 175.57 1lkj h ASP 123 N 0.14 0.04 0.67 6.45 1.82 -1.08 -2.50 116.42 121.96 1lkj h ASP 123 Ca 0.06 -0.01 -0.27 0.00 -0.39 0.00 0.00 57.03 56.43 1lkj h ASP 123 Cb 0.25 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.25 1lkj h ASP 123 CO -0.00 0.24 -1.22 -0.03 -1.61 0.00 0.00 179.24 176.62 1lkj h MET 124 N 0.04 0.24 -0.53 0.28 4.05 -1.04 -3.26 114.93 114.70 1lkj h MET 124 Ca 0.01 -0.41 -0.06 0.00 -0.28 0.00 0.00 59.70 58.96 1lkj h MET 124 Cb 0.38 0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.31 1lkj h MET 124 CO 0.03 1.19 0.11 -0.07 0.23 0.00 0.00 176.91 178.40 1lkj h LEU 125 N 0.07 0.78 -1.29 3.39 3.38 -0.04 -1.49 115.31 120.10 1lkj h LEU 125 Ca -0.12 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 1lkj h LEU 125 Cb 1.95 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.49 1lkj h LEU 125 CO 0.19 0.78 -0.27 0.03 0.09 0.00 0.00 178.44 179.26 1lkj h ARG 126 N 0.79 0.13 0.07 1.13 3.08 -1.53 0.90 114.38 118.95 1lkj h ARG 126 Ca 0.17 -0.04 -0.24 0.00 0.07 0.00 0.00 59.98 59.94 1lkj h ARG 126 Cb 0.33 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1lkj h ARG 126 CO 0.00 0.40 -1.13 1.49 -1.07 0.00 0.00 179.97 179.66 1lkj h GLU 127 N 0.12 0.14 0.00 0.04 4.81 -1.47 -3.32 114.58 114.91 1lkj h GLU 127 Ca 0.02 -0.24 -0.20 0.00 -0.13 0.00 0.00 59.36 58.81 1lkj h GLU 127 Cb 0.55 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 1lkj h GLU 127 CO 0.04 1.11 -1.51 0.28 -0.73 0.00 0.00 179.01 178.21 1lkj n VAL 128 N -3.44 1.28 -1.73 0.32 0.31 -0.61 -4.85 118.33 109.61 1lkj n VAL 128 Ca -0.04 -0.72 -0.42 0.00 -0.01 0.00 0.00 64.34 63.14 1lkj n VAL 128 Cb 0.98 -0.80 -0.03 0.00 -0.91 0.00 0.00 33.84 33.09 1lkj n VAL 128 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1lkj s SER 129 N -5.83 6.24 -0.16 4.52 1.04 0.31 -4.83 113.70 114.99 1lkj s SER 129 Ca -0.03 2.37 0.16 0.00 0.48 0.00 0.00 55.95 58.92 1lkj s SER 129 Cb 0.08 -2.53 -0.22 0.00 0.10 0.00 0.00 66.02 63.46 1lkj s SER 129 CO 0.82 -1.26 0.09 0.47 0.98 0.00 0.00 173.24 174.34 1lkj n ASP 130 N 8.50 0.75 0.00 7.02 9.92 -1.26 -4.93 116.55 136.56 1lkj n ASP 130 Ca 0.22 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.48 1lkj n ASP 130 Cb 0.42 1.01 0.00 0.00 -0.64 0.00 0.00 41.12 41.91 1lkj n ASP 130 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1lkj n GLY 131 N 1.89 1.04 0.75 0.44 0.00 -1.26 -5.06 105.19 103.00 1lkj n GLY 131 Ca -0.26 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.72 1lkj n GLY 131 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lkj n SER 132 N 0.00 1.14 0.00 1.61 2.88 -1.26 -5.08 113.62 112.90 1lkj n SER 132 Ca 0.00 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1lkj n SER 132 Cb 0.00 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 1lkj n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1lkj n GLY 133 N 2.76 1.13 3.56 0.46 0.00 -1.26 -5.13 105.19 106.71 1lkj n GLY 133 Ca -0.08 0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 1lkj n GLY 133 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lkj s GLU 134 N 0.00 2.03 -0.03 1.61 8.01 -1.26 -4.69 118.70 124.38 1lkj s GLU 134 Ca 0.00 -1.17 -0.00 0.00 0.01 0.00 0.00 54.97 53.81 1lkj s GLU 134 Cb 0.00 -2.20 -0.04 0.00 -4.31 0.00 0.00 34.13 27.58 1lkj s GLU 134 CO 0.00 0.47 0.04 0.42 0.01 0.00 0.00 175.26 176.20 1lkj s ILE 135 N -1.44 4.48 -0.14 -1.63 1.01 0.05 -4.86 121.20 118.66 1lkj s ILE 135 Ca 0.22 -0.41 -0.25 0.00 0.00 0.00 0.00 60.65 60.21 1lkj s ILE 135 Cb -0.10 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 1lkj s ILE 135 CO 0.14 0.43 0.82 0.21 0.00 0.00 0.00 174.94 176.54 1lkj s ASN 136 N -1.44 6.99 0.53 3.58 2.47 -1.26 -2.14 114.94 123.67 1lkj s ASN 136 Ca 0.19 1.22 0.35 0.00 0.42 0.00 0.00 52.86 55.04 1lkj s ASN 136 Cb -0.12 -2.46 1.72 0.00 -1.45 0.00 0.00 41.25 38.94 1lkj s ASN 136 CO 0.09 -0.35 2.06 0.16 -3.72 0.00 0.00 177.10 175.35 1lkj h ILE 137 N 5.09 0.00 -0.82 -5.21 3.07 -1.84 -2.75 117.51 115.05 1lkj h ILE 137 Ca -0.32 -0.20 0.02 0.00 1.55 0.00 0.00 64.86 65.90 1lkj h ILE 137 Cb 1.15 1.10 -0.04 0.00 -0.27 0.00 0.00 36.82 38.75 1lkj h ILE 137 CO 0.82 0.00 0.54 -0.61 -1.05 0.00 0.00 178.15 177.84 1lkj h GLN 138 N 0.00 1.05 -0.05 0.16 4.15 -1.91 0.60 115.11 119.10 1lkj h GLN 138 Ca 0.00 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.27 1lkj h GLN 138 Cb 0.22 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.68 1lkj h GLN 138 CO 0.00 0.69 -0.31 1.96 -1.93 0.00 0.00 178.83 179.24 1lkj h GLN 139 N 1.08 0.31 -0.32 1.69 4.20 -1.90 -2.15 115.11 118.02 1lkj h GLN 139 Ca 0.31 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1lkj h GLN 139 Cb -0.08 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1lkj h GLN 139 CO -0.08 0.91 0.06 0.35 -0.67 0.00 0.00 178.83 179.40 1lkj h PHE 140 N -0.21 0.55 -0.16 2.96 3.04 -1.53 -1.45 116.94 120.14 1lkj h PHE 140 Ca -0.02 -0.07 -0.04 0.00 3.98 0.00 0.00 57.97 61.82 1lkj h PHE 140 Cb 0.98 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.33 1lkj h PHE 140 CO 0.14 0.59 -0.07 0.00 -2.02 0.00 0.00 178.31 176.94 1lkj h ALA 141 N 0.90 1.59 -0.03 2.41 0.00 0.13 -2.20 119.26 122.06 1lkj h ALA 141 Ca 0.10 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1lkj h ALA 141 Cb 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1lkj h ALA 141 CO 0.00 0.30 -0.76 0.00 0.00 0.00 0.00 179.25 178.79 1lkj h ALA 142 N 1.70 0.66 -0.28 0.00 0.00 -1.04 -2.11 119.26 118.19 1lkj h ALA 142 Ca 0.05 -0.65 -0.12 0.00 0.00 0.00 0.00 54.91 54.19 1lkj h ALA 142 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1lkj h ALA 142 CO 0.01 0.84 -0.33 -0.07 0.00 0.00 0.00 179.25 179.70 1lkj h LEU 143 N 0.14 0.62 -0.01 0.00 3.38 -0.66 -2.97 115.31 115.80 1lkj h LEU 143 Ca -0.03 -0.25 -0.19 0.00 0.09 0.00 0.00 57.88 57.51 1lkj h LEU 143 Cb 1.34 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 1lkj h LEU 143 CO 0.12 0.90 -0.90 -0.07 0.09 0.00 0.00 178.44 178.58 1lkj h LEU 144 N 0.51 0.00 -4.66 1.67 3.38 -1.44 -3.30 115.31 111.47 1lkj h LEU 144 Ca 0.06 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.31 1lkj h LEU 144 Cb 0.81 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.26 1lkj h LEU 144 CO 0.07 0.90 0.73 -0.24 0.09 0.00 0.00 178.44 179.99 1lkj n SER 145 N -3.33 7.13 -0.13 -0.43 2.88 -0.80 -5.12 113.62 113.83 1lkj n SER 145 Ca 0.00 -3.81 0.02 0.00 -1.33 0.00 0.00 58.87 53.75 1lkj n SER 145 Cb 0.90 -0.95 0.01 0.00 -0.75 0.00 0.00 64.21 63.42 1lkj n SER 145 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98