#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 -1.73 -2.49 6.43 2.88 -1.26 -5.09 113.62 112.36 1lkj n SER 2 Ca 0.00 -2.29 -0.03 0.00 -1.33 0.00 0.00 58.87 55.22 1lkj n SER 2 Cb 0.00 1.04 -0.02 0.00 -0.75 0.00 0.00 64.21 64.48 1lkj n SER 2 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1lkj n ASN 3 N -0.55 -4.77 -4.67 -3.46 2.85 -1.26 -4.81 115.26 98.60 1lkj n ASN 3 Ca -0.09 1.54 -0.44 0.00 -0.11 0.00 0.00 54.58 55.49 1lkj n ASN 3 Cb 0.80 -4.82 -0.02 0.00 1.24 0.00 0.00 39.78 36.98 1lkj n ASN 3 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1lkj n LEU 4 N 1.86 3.02 -4.91 1.20 4.77 -1.26 -4.97 117.00 116.70 1lkj n LEU 4 Ca -0.19 1.18 -0.30 0.00 -0.03 0.00 0.00 56.01 56.67 1lkj n LEU 4 Cb 0.30 -1.42 0.15 0.00 -2.33 0.00 0.00 43.42 40.12 1lkj n LEU 4 CO 0.18 -0.66 0.84 0.42 -1.33 0.00 0.00 177.39 176.84 1lkj s THR 5 N -0.65 1.99 0.27 -5.08 -4.23 -1.26 -4.77 115.64 101.90 1lkj s THR 5 Ca 0.62 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 61.09 1lkj s THR 5 Cb -0.63 -2.98 0.20 0.00 1.34 0.00 0.00 72.50 70.42 1lkj s THR 5 CO 0.57 0.00 1.87 -0.33 -0.54 0.00 0.00 174.62 176.18 1lkj h GLU 6 N -1.47 1.03 0.13 3.99 5.08 -1.98 -0.71 114.58 120.66 1lkj h GLU 6 Ca -0.45 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 57.76 1lkj h GLU 6 Cb 1.27 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1lkj h GLU 6 CO 0.48 0.80 -0.06 0.93 -1.00 0.00 0.00 179.01 180.15 1lkj h GLU 7 N 1.02 -0.17 -0.33 2.33 5.08 -1.99 0.23 114.58 120.75 1lkj h GLU 7 Ca 0.25 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1lkj h GLU 7 Cb 0.12 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1lkj h GLU 7 CO -0.03 -0.07 0.15 1.96 -1.00 0.00 0.00 179.01 180.02 1lkj h GLN 8 N -0.23 0.48 0.00 2.33 1.08 -1.88 -2.29 115.11 114.60 1lkj h GLN 8 Ca -0.02 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.07 1lkj h GLN 8 Cb 0.18 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1lkj h GLN 8 CO 0.03 0.46 -0.18 0.82 -0.95 0.00 0.00 178.83 179.01 1lkj h ILE 9 N 0.38 1.11 -0.39 2.54 2.04 -0.99 -2.57 117.51 119.64 1lkj h ILE 9 Ca 0.11 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 1lkj h ILE 9 Cb 0.15 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1lkj h ILE 9 CO -0.01 0.17 0.04 0.00 0.00 0.00 0.00 178.15 178.35 1lkj h ALA 10 N 1.82 0.52 -0.12 1.87 0.00 0.02 -1.13 119.26 122.24 1lkj h ALA 10 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1lkj h ALA 10 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1lkj h ALA 10 CO 0.02 0.26 0.05 1.49 0.00 0.00 0.00 179.25 181.07 1lkj h GLU 11 N 0.50 0.18 -0.88 0.00 4.57 -1.10 -2.45 114.58 115.40 1lkj h GLU 11 Ca 0.12 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1lkj h GLU 11 Cb 0.41 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.92 1lkj h GLU 11 CO 0.01 0.26 0.55 0.74 -1.18 0.00 0.00 179.01 179.39 1lkj h PHE 12 N 0.05 1.14 -0.77 0.92 0.04 -1.44 -2.08 116.94 114.80 1lkj h PHE 12 Ca 0.04 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.85 1lkj h PHE 12 Cb 0.15 -0.38 -0.04 0.00 2.20 0.00 0.00 35.95 37.88 1lkj h PHE 12 CO -0.02 0.75 0.50 -0.22 -0.60 0.00 0.00 178.31 178.72 1lkj h LYS 13 N 1.20 0.90 0.40 1.51 3.64 -0.98 0.28 116.57 123.52 1lkj h LYS 13 Ca 0.32 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1lkj h LYS 13 Cb -0.08 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.54 1lkj h LYS 13 CO -0.06 0.60 -0.19 0.93 -2.27 0.00 0.00 179.45 178.45 1lkj h GLU 14 N 0.93 -0.51 -0.17 1.90 4.39 -0.91 0.21 114.58 120.42 1lkj h GLU 14 Ca 0.31 0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.99 1lkj h GLU 14 Cb 0.07 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1lkj h GLU 14 CO -0.09 -0.22 -0.15 0.00 -1.16 0.00 0.00 179.01 177.38 1lkj h ALA 15 N -0.32 1.43 0.07 3.43 0.00 -1.25 -2.21 119.26 120.41 1lkj h ALA 15 Ca -0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1lkj h ALA 15 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1lkj h ALA 15 CO 0.09 0.40 -0.03 0.35 0.00 0.00 0.00 179.25 180.05 1lkj h PHE 16 N 0.26 -0.09 0.00 0.00 3.04 -0.34 -3.00 116.94 116.81 1lkj h PHE 16 Ca 0.05 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 1lkj h PHE 16 Cb 0.43 0.03 -0.00 0.00 2.56 0.00 0.00 35.95 38.97 1lkj h PHE 16 CO 0.01 0.33 -0.04 0.00 -2.02 0.00 0.00 178.31 176.59 1lkj h ALA 17 N 0.33 1.49 0.00 2.41 0.00 -0.85 -1.39 119.26 121.24 1lkj h ALA 17 Ca -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1lkj h ALA 17 Cb 0.46 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1lkj h ALA 17 CO 0.02 0.05 -0.11 -0.07 0.00 0.00 0.00 179.25 179.14 1lkj h LEU 18 N 0.00 0.00 -3.31 0.00 3.38 -1.25 -2.66 115.31 111.47 1lkj h LEU 18 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1lkj h LEU 18 Cb 0.11 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.73 1lkj h LEU 18 CO 0.01 0.11 -0.35 0.49 0.09 0.00 0.00 178.44 178.79 1lkj n PHE 19 N -3.73 1.04 0.00 1.13 3.01 -0.53 -4.83 117.46 113.55 1lkj n PHE 19 Ca -0.02 -1.74 0.00 0.00 1.01 0.00 0.00 57.45 56.70 1lkj n PHE 19 Cb 0.22 -0.41 0.00 0.00 -0.01 0.00 0.00 39.48 39.28 1lkj n PHE 19 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1lkj n ASP 20 N -1.04 0.00 -4.01 4.37 2.03 -1.00 -4.67 116.55 112.23 1lkj n ASP 20 Ca 0.31 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.29 1lkj n ASP 20 Cb 0.87 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 41.27 1lkj n ASP 20 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1lkj n LYS 21 N -1.27 -4.46 0.00 -0.67 4.76 -1.25 -4.90 118.16 110.37 1lkj n LYS 21 Ca 0.00 0.50 0.00 0.00 -2.87 0.00 0.00 58.31 55.94 1lkj n LYS 21 Cb 0.00 -5.33 0.00 0.00 -1.84 0.00 0.00 35.03 27.86 1lkj n LYS 21 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1lkj n ASP 22 N -2.73 0.00 -0.96 4.39 8.00 -1.26 -5.07 116.55 118.93 1lkj n ASP 22 Ca 0.06 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.54 1lkj n ASP 22 Cb 0.51 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.60 1lkj n ASP 22 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1lkj n ASN 23 N 0.00 -0.36 0.00 -2.24 2.85 -1.26 -5.05 115.26 109.20 1lkj n ASN 23 Ca 0.00 -0.82 0.00 0.00 -0.11 0.00 0.00 54.58 53.65 1lkj n ASN 23 Cb 0.00 0.13 0.00 0.00 1.24 0.00 0.00 39.78 41.15 1lkj n ASN 23 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1lkj n ASN 24 N -0.12 0.00 0.00 1.20 4.13 -1.26 -5.08 115.26 114.13 1lkj n ASN 24 Ca -0.08 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.18 1lkj n ASN 24 Cb 0.45 0.17 0.00 0.00 -1.54 0.00 0.00 39.78 38.86 1lkj n ASN 24 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1lkj n GLY 25 N -1.26 -1.44 2.93 7.41 0.00 -1.26 -5.09 105.19 106.47 1lkj n GLY 25 Ca 0.00 0.45 -0.12 0.00 0.00 0.00 0.00 46.02 46.35 1lkj n GLY 25 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lkj s SER 26 N 0.00 -0.02 0.19 1.61 0.01 -1.26 -3.15 113.70 111.08 1lkj s SER 26 Ca 0.00 0.03 0.08 0.00 1.31 0.00 0.00 55.95 57.37 1lkj s SER 26 Cb 0.00 0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.28 1lkj s SER 26 CO 0.00 -0.05 -0.17 0.27 0.41 0.00 0.00 173.24 173.70 1lkj s ILE 27 N -0.16 1.83 0.50 1.44 -4.36 -0.30 -4.68 121.20 115.47 1lkj s ILE 27 Ca -0.02 -2.06 -0.11 0.00 -0.26 0.00 0.00 60.65 58.20 1lkj s ILE 27 Cb -0.01 -1.95 -0.06 0.00 1.25 0.00 0.00 42.46 41.69 1lkj s ILE 27 CO 0.00 -0.43 0.89 -0.44 0.24 0.00 0.00 174.94 175.21 1lkj s SER 28 N -2.97 6.43 0.53 4.36 0.01 -1.26 0.84 113.70 121.64 1lkj s SER 28 Ca 0.19 1.28 0.21 0.00 1.31 0.00 0.00 55.95 58.94 1lkj s SER 28 Cb -0.04 -2.39 1.43 0.00 0.21 0.00 0.00 66.02 65.23 1lkj s SER 28 CO 0.07 -0.60 2.16 0.28 0.41 0.00 0.00 173.24 175.57 1lkj h SER 29 N 0.58 0.00 0.09 2.44 0.02 -1.97 -1.24 113.55 113.48 1lkj h SER 29 Ca -0.46 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.47 1lkj h SER 29 Cb 1.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 1lkj h SER 29 CO 0.62 0.03 -0.08 0.77 -1.14 0.00 0.00 176.83 177.03 1lkj h SER 30 N 0.00 0.00 0.37 3.07 4.64 -1.92 -1.88 113.55 117.83 1lkj h SER 30 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lkj h SER 30 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1lkj h SER 30 CO 0.00 0.08 -1.03 -0.62 -0.87 0.00 0.00 176.83 174.39 1lkj n GLU 31 N -4.32 0.25 -0.22 4.77 1.02 -0.50 -4.28 120.64 117.36 1lkj n GLU 31 Ca -0.03 -0.01 -0.01 0.00 -0.02 0.00 0.00 57.16 57.09 1lkj n GLU 31 Cb 0.16 -1.57 0.10 0.00 -0.02 0.00 0.00 31.44 30.10 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 0.46 -0.39 -4.62 5.85 -0.98 0.47 115.31 116.10 1lkj h LEU 32 Ca 0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1lkj h LEU 32 Cb 0.70 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1lkj h LEU 32 CO 0.00 0.29 0.22 0.00 -0.34 0.00 0.00 178.44 178.60 1lkj h ALA 33 N 1.36 0.49 -0.44 1.25 0.00 -1.74 -2.19 119.26 117.99 1lkj h ALA 33 Ca 0.30 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1lkj h ALA 33 Cb 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1lkj h ALA 33 CO -0.21 0.01 0.02 1.15 0.00 0.00 0.00 179.25 180.22 1lkj h THR 34 N 0.50 1.23 -0.83 0.00 2.02 -1.62 -2.30 112.91 111.90 1lkj h THR 34 Ca 0.14 -0.91 -0.03 0.00 0.77 0.00 0.00 66.41 66.38 1lkj h THR 34 Cb 0.05 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 1lkj h THR 34 CO -0.02 0.32 0.41 0.58 0.37 0.00 0.00 175.52 177.18 1lkj h VAL 35 N 0.67 1.25 -0.20 3.16 2.07 -0.47 -1.15 116.25 121.57 1lkj h VAL 35 Ca 0.14 -0.68 -0.13 0.00 0.82 0.00 0.00 66.70 66.84 1lkj h VAL 35 Cb 0.39 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1lkj h VAL 35 CO 0.01 0.30 -0.43 0.24 0.02 0.00 0.00 177.57 177.71 1lkj h MET 36 N 1.17 0.49 -0.45 1.57 2.86 -1.02 -2.31 114.93 117.23 1lkj h MET 36 Ca 0.29 -0.26 -0.14 0.00 -2.06 0.00 0.00 59.70 57.53 1lkj h MET 36 Cb 0.09 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1lkj h MET 36 CO -0.04 0.83 -0.24 0.00 1.06 0.00 0.00 176.91 178.52 1lkj h ARG 37 N 0.40 0.97 -0.24 1.72 3.08 -0.88 0.30 114.38 119.73 1lkj h ARG 37 Ca 0.03 -0.43 -0.11 0.00 0.07 0.00 0.00 59.98 59.54 1lkj h ARG 37 Cb 0.92 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1lkj h ARG 37 CO 0.08 1.10 -0.31 0.77 -1.07 0.00 0.00 179.97 180.54 1lkj h SER 38 N 0.81 0.52 -0.10 7.04 0.02 -1.14 -2.83 113.55 117.87 1lkj h SER 38 Ca 0.10 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 60.79 1lkj h SER 38 Cb 0.83 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1lkj h SER 38 CO 0.07 0.81 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.39 1lkj h LEU 39 N 0.44 0.41 0.00 5.07 3.38 -1.29 -3.46 115.31 119.86 1lkj h LEU 39 Ca 0.05 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1lkj h LEU 39 Cb 0.76 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1lkj h LEU 39 CO 0.06 0.56 0.00 0.61 0.09 0.00 0.00 178.44 179.76 1lkj n GLY 40 N -0.73 0.48 3.89 0.83 0.00 -1.07 -5.12 105.19 103.48 1lkj n GLY 40 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 2.48 -0.39 0.99 1.43 0.07 -4.97 118.68 118.30 1lkj s LEU 41 Ca 0.00 0.25 0.05 0.00 -1.03 0.00 0.00 54.13 53.40 1lkj s LEU 41 Cb 0.00 -2.19 0.31 0.00 0.03 0.00 0.00 46.19 44.33 1lkj s LEU 41 CO 0.00 -3.01 1.25 -1.20 0.23 0.00 0.00 176.35 173.62 1lkj n SER 42 N -3.95 -1.77 -4.75 2.29 7.64 -1.26 -4.12 113.62 107.71 1lkj n SER 42 Ca 0.16 -2.71 -0.41 0.00 1.01 0.00 0.00 58.87 56.92 1lkj n SER 42 Cb 0.59 1.47 -0.04 0.00 -1.01 0.00 0.00 64.21 65.23 1lkj n SER 42 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1lkj s PRO 43 N 0.16 4.54 1.23 1.43 0.04 -1.26 -5.01 135.00 136.12 1lkj s PRO 43 Ca 0.20 1.87 -0.14 0.00 0.04 0.00 0.00 61.00 62.96 1lkj s PRO 43 Cb 0.28 -3.21 0.31 0.00 0.04 0.00 0.00 34.50 31.93 1lkj s PRO 43 CO -0.11 0.02 1.00 -1.12 0.04 0.00 0.00 177.00 176.83 1lkj s SER 44 N -0.28 0.42 0.53 6.66 0.01 -1.26 -4.63 113.70 115.15 1lkj s SER 44 Ca 0.49 1.42 0.18 0.00 1.31 0.00 0.00 55.95 59.36 1lkj s SER 44 Cb -0.33 -2.19 1.33 0.00 0.21 0.00 0.00 66.02 65.05 1lkj s SER 44 CO 0.39 -4.53 2.13 -0.08 0.41 0.00 0.00 173.24 171.57 1lkj h GLU 45 N -2.85 0.00 -0.37 12.44 4.81 -1.99 -1.90 114.58 124.71 1lkj h GLU 45 Ca -0.61 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.56 1lkj h GLU 45 Cb 1.34 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 -0.00 0.00 -0.73 0.00 0.00 179.01 178.75 1lkj h ALA 46 N 1.96 0.50 -0.54 2.92 0.00 -2.00 -1.33 119.26 120.78 1lkj h ALA 46 Ca 0.04 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1lkj h ALA 46 Cb 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1lkj h ALA 46 CO -0.00 0.28 0.07 0.93 0.00 0.00 0.00 179.25 180.53 1lkj h GLU 47 N 0.48 0.90 -0.53 0.00 5.08 -1.67 -2.54 114.58 116.29 1lkj h GLU 47 Ca 0.11 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 1lkj h GLU 47 Cb 0.47 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1lkj h GLU 47 CO 0.02 0.88 0.09 0.28 -1.00 0.00 0.00 179.01 179.28 1lkj h VAL 48 N 0.78 1.23 -0.81 3.13 2.07 -1.33 -2.58 116.25 118.75 1lkj h VAL 48 Ca 0.16 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 1lkj h VAL 48 Cb 0.42 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1lkj h VAL 48 CO 0.01 0.32 0.33 -1.13 0.02 0.00 0.00 177.57 177.13 1lkj h ASN 49 N 0.80 1.10 0.06 0.57 -0.73 -0.97 -0.71 115.58 115.69 1lkj h ASN 49 Ca 0.17 -0.17 -0.00 0.00 1.87 0.00 0.00 56.30 58.17 1lkj h ASN 49 Cb 0.35 -0.29 0.00 0.00 0.27 0.00 0.00 38.32 38.65 1lkj h ASN 49 CO 0.01 0.97 -0.03 0.44 -0.37 0.00 0.00 177.43 178.45 1lkj h ASP 50 N 1.17 -0.07 -0.71 1.15 3.32 -1.08 0.31 116.42 120.51 1lkj h ASP 50 Ca 0.27 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1lkj h ASP 50 Cb 0.20 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1lkj h ASP 50 CO -0.02 0.06 0.39 -0.07 -1.72 0.00 0.00 179.24 177.87 1lkj h LEU 51 N -0.19 0.89 -0.47 1.55 3.38 -1.33 -2.15 115.31 117.00 1lkj h LEU 51 Ca -0.01 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1lkj h LEU 51 Cb 0.16 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1lkj h LEU 51 CO 0.01 0.73 -0.05 0.24 0.09 0.00 0.00 178.44 179.46 1lkj h MET 52 N 0.97 0.86 0.00 1.13 2.86 -0.93 -2.10 114.93 117.73 1lkj h MET 52 Ca 0.25 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1lkj h MET 52 Cb 0.04 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 1lkj h MET 52 CO -0.04 0.93 -0.03 -0.97 1.06 0.00 0.00 176.91 177.87 1lkj h ASN 53 N 0.71 0.00 1.09 1.22 -0.73 -0.05 0.20 115.58 118.02 1lkj h ASN 53 Ca 0.13 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 58.12 1lkj h ASN 53 Cb 0.58 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.14 1lkj h ASN 53 CO 0.03 0.03 -0.95 -0.08 -0.37 0.00 0.00 177.43 176.10 1lkj h GLU 54 N 0.00 0.00 0.00 6.67 4.81 -0.99 -3.37 114.58 121.70 1lkj h GLU 54 Ca -0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1lkj h GLU 54 Cb 0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1lkj h GLU 54 CO 0.00 0.71 -0.34 0.82 -0.73 0.00 0.00 179.01 179.47 1lkj h ILE 55 N 0.00 0.57 -3.58 2.32 2.04 -0.55 -3.46 117.51 114.84 1lkj h ILE 55 Ca -0.05 -1.51 -0.57 0.00 1.00 0.00 0.00 64.86 63.73 1lkj h ILE 55 Cb 1.65 1.15 0.15 0.00 -0.74 0.00 0.00 36.82 39.03 1lkj h ILE 55 CO 0.09 0.19 0.29 -0.90 0.00 0.00 0.00 178.15 177.83 1lkj n ASP 56 N -4.64 1.55 0.16 1.72 5.75 0.57 -4.88 116.55 116.78 1lkj n ASP 56 Ca -0.10 0.93 0.00 0.00 -0.01 0.00 0.00 54.79 55.61 1lkj n ASP 56 Cb 0.29 -1.44 0.00 0.00 -1.03 0.00 0.00 41.12 38.94 1lkj n ASP 56 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1lkj n VAL 57 N -1.14 0.00 -0.11 2.12 0.31 -1.26 -4.88 118.33 113.36 1lkj n VAL 57 Ca 0.11 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.23 1lkj n VAL 57 Cb 0.44 -0.45 -0.12 0.00 -0.91 0.00 0.00 33.84 32.80 1lkj n VAL 57 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1lkj n ASP 58 N -3.48 1.99 0.00 4.52 2.03 -1.26 -5.06 116.55 115.29 1lkj n ASP 58 Ca 0.00 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1lkj n ASP 58 Cb 0.00 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.80 1lkj n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lkj n GLY 59 N 1.94 -2.37 3.31 0.27 0.00 -1.26 -5.07 105.19 102.01 1lkj n GLY 59 Ca -0.46 0.77 -0.46 0.00 0.00 0.00 0.00 46.02 45.88 1lkj n GLY 59 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lkj s ASN 60 N 1.68 6.33 -0.36 1.61 0.01 -1.26 -4.96 114.94 117.99 1lkj s ASN 60 Ca 0.00 -2.05 -0.15 0.00 -0.71 0.00 0.00 52.86 49.95 1lkj s ASN 60 Cb 0.00 -2.20 -0.01 0.00 0.41 0.00 0.00 41.25 39.45 1lkj s ASN 60 CO 0.00 -0.77 0.33 -2.28 -1.51 0.00 0.00 177.10 172.87 1lkj s HIS 61 N 1.18 3.21 -0.20 2.20 5.65 -1.26 -5.02 115.29 121.06 1lkj s HIS 61 Ca 0.07 -0.18 -0.25 0.00 0.25 0.00 0.00 55.06 54.94 1lkj s HIS 61 Cb -0.24 -2.64 -0.01 0.00 -1.18 0.00 0.00 32.58 28.51 1lkj s HIS 61 CO -0.00 -0.46 0.85 -0.65 -0.65 0.00 0.00 174.74 173.82 1lkj s GLN 62 N 1.91 4.25 0.07 2.88 -0.21 -1.26 -3.74 119.66 123.57 1lkj s GLN 62 Ca 0.09 1.02 -0.30 0.00 0.02 0.00 0.00 55.36 56.20 1lkj s GLN 62 Cb -0.17 -3.61 -0.05 0.00 1.00 0.00 0.00 33.01 30.18 1lkj s GLN 62 CO 0.11 -0.43 0.98 0.42 -2.12 0.00 0.00 175.29 174.26 1lkj s ILE 63 N 2.51 4.59 0.35 1.08 1.01 0.25 -4.80 121.20 126.18 1lkj s ILE 63 Ca 0.38 2.04 0.01 0.00 0.00 0.00 0.00 60.65 63.07 1lkj s ILE 63 Cb -0.16 -4.30 -0.03 0.00 0.01 0.00 0.00 42.46 37.98 1lkj s ILE 63 CO 0.10 0.26 0.55 -1.61 0.00 0.00 0.00 174.94 174.23 1lkj s GLU 64 N 0.36 3.47 0.55 2.79 2.02 -1.26 -1.15 118.70 125.49 1lkj s GLU 64 Ca 0.49 -0.35 0.24 0.00 0.02 0.00 0.00 54.97 55.38 1lkj s GLU 64 Cb -0.23 -2.66 1.50 0.00 0.10 0.00 0.00 34.13 32.84 1lkj s GLU 64 CO 0.29 0.14 2.11 0.35 0.02 0.00 0.00 175.26 178.18 1lkj h PHE 65 N 0.75 0.00 0.09 1.61 3.57 -1.95 -0.23 116.94 120.77 1lkj h PHE 65 Ca -0.50 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.00 1lkj h PHE 65 Cb 1.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1lkj h PHE 65 CO 0.51 0.00 -0.04 0.77 -2.23 0.00 0.00 178.31 177.31 1lkj h SER 66 N 0.00 -0.10 -0.15 0.41 0.02 -1.93 -1.82 113.55 109.99 1lkj h SER 66 Ca 0.08 -0.41 -0.09 0.00 -0.84 0.00 0.00 61.79 60.54 1lkj h SER 66 Cb 0.39 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1lkj h SER 66 CO -0.00 0.38 -0.20 -0.33 -1.14 0.00 0.00 176.83 175.54 1lkj h GLU 67 N -0.61 0.57 -0.27 3.45 4.39 -1.82 -2.66 114.58 117.62 1lkj h GLU 67 Ca -0.01 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.46 1lkj h GLU 67 Cb 0.50 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1lkj h GLU 67 CO 0.02 0.74 0.07 0.35 -1.16 0.00 0.00 179.01 179.03 1lkj h PHE 68 N 0.51 0.45 -0.89 4.33 3.57 -1.06 -0.31 116.94 123.54 1lkj h PHE 68 Ca 0.08 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1lkj h PHE 68 Cb 0.63 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 1lkj h PHE 68 CO 0.02 0.50 0.55 -0.07 -2.23 0.00 0.00 178.31 177.08 1lkj h LEU 69 N 0.27 1.06 -0.28 0.59 3.38 -1.20 -0.52 115.31 118.61 1lkj h LEU 69 Ca 0.09 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1lkj h LEU 69 Cb 0.27 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1lkj h LEU 69 CO -0.00 0.80 -0.24 0.00 0.09 0.00 0.00 178.44 179.09 1lkj h ALA 70 N 1.30 0.41 -0.28 1.53 0.00 -1.29 -2.30 119.26 118.62 1lkj h ALA 70 Ca 0.32 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1lkj h ALA 70 Cb -0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1lkj h ALA 70 CO -0.06 0.38 -0.05 -0.07 0.00 0.00 0.00 179.25 179.45 1lkj h LEU 71 N 0.40 0.42 -0.52 0.00 3.38 -0.75 -2.52 115.31 115.72 1lkj h LEU 71 Ca 0.05 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 1lkj h LEU 71 Cb 0.80 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1lkj h LEU 71 CO 0.06 0.53 -0.59 0.24 0.09 0.00 0.00 178.44 178.77 1lkj h MET 72 N 0.43 0.49 -0.42 1.13 2.86 -0.99 -2.75 114.93 115.68 1lkj h MET 72 Ca 0.09 -0.33 -0.09 0.00 -2.06 0.00 0.00 59.70 57.31 1lkj h MET 72 Cb 0.37 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1lkj h MET 72 CO 0.02 0.94 -0.11 0.66 1.06 0.00 0.00 176.91 179.47 1lkj h SER 73 N 0.37 0.75 0.08 1.22 4.64 -1.01 0.68 113.55 120.28 1lkj h SER 73 Ca -0.00 -0.22 -0.13 0.00 -0.47 0.00 0.00 61.79 60.96 1lkj h SER 73 Cb 1.13 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1lkj h SER 73 CO 0.11 0.89 -0.45 0.03 -0.87 0.00 0.00 176.83 176.53 1lkj h ARG 74 N 0.69 0.45 0.00 4.77 3.08 -1.39 -2.97 114.38 119.01 1lkj h ARG 74 Ca 0.12 -0.24 -0.24 0.00 0.07 0.00 0.00 59.98 59.68 1lkj h ARG 74 Cb 0.59 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 1lkj h ARG 74 CO 0.04 0.81 -1.43 1.96 -1.07 0.00 0.00 179.97 180.28 1lkj h GLN 75 N 0.36 0.00 -0.76 0.04 1.08 -1.23 -3.35 115.11 111.25 1lkj h GLN 75 Ca 0.02 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 1lkj h GLN 75 Cb 0.94 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.33 1lkj h GLN 75 CO 0.08 0.57 0.40 -0.07 -0.95 0.00 0.00 178.83 178.86 1lkj h LEU 76 N 0.00 0.97 0.00 1.46 3.38 0.41 -3.44 115.31 118.09 1lkj h LEU 76 Ca -0.19 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1lkj h LEU 76 Cb 1.85 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.35 1lkj h LEU 76 CO 0.08 0.81 0.00 0.29 0.09 0.00 0.00 178.44 179.71 1lkj n LYS 77 N -4.42 1.53 -2.73 1.13 4.01 -1.13 -5.07 118.16 111.48 1lkj n LYS 77 Ca 0.07 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.84 1lkj n LYS 77 Cb 0.11 0.00 0.09 0.00 -0.51 0.00 0.00 35.03 34.72 1lkj n LYS 77 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1lkj n SER 78 N -1.90 -0.19 -4.81 4.39 7.64 -1.26 -4.95 113.62 112.54 1lkj n SER 78 Ca 0.00 -2.25 -0.26 0.00 1.01 0.00 0.00 58.87 57.37 1lkj n SER 78 Cb 0.00 0.21 -0.05 0.00 -1.01 0.00 0.00 64.21 63.36 1lkj n SER 78 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1lkj s ASN 79 N -2.26 5.58 0.07 6.43 2.47 -1.26 -5.13 114.94 120.84 1lkj s ASN 79 Ca 0.19 -0.11 0.00 0.00 0.42 0.00 0.00 52.86 53.36 1lkj s ASN 79 Cb 0.40 -1.47 -0.04 0.00 -1.45 0.00 0.00 41.25 38.69 1lkj s ASN 79 CO -0.07 0.07 -0.05 -1.81 -3.72 0.00 0.00 177.10 171.51 1lkj s ASP 80 N -3.13 0.75 0.21 -4.21 1.11 -1.26 -5.03 116.67 105.11 1lkj s ASP 80 Ca 0.31 -0.92 0.26 0.00 0.18 0.00 0.00 52.55 52.38 1lkj s ASP 80 Cb -0.10 0.14 0.83 0.00 1.07 0.00 0.00 42.92 44.86 1lkj s ASP 80 CO 0.24 -0.49 1.77 -1.20 1.18 0.00 0.00 175.17 176.67 1lkj n SER 81 N 0.29 0.80 0.25 0.27 7.64 -1.26 -3.90 113.62 117.71 1lkj n SER 81 Ca -0.15 0.59 -0.16 0.00 1.01 0.00 0.00 58.87 60.16 1lkj n SER 81 Cb 0.60 -0.80 -0.08 0.00 -1.01 0.00 0.00 64.21 62.92 1lkj n SER 81 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1lkj h GLU 82 N 0.00 -0.76 -0.09 1.43 4.81 -1.96 -0.21 114.58 117.81 1lkj h GLU 82 Ca 0.00 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1lkj h GLU 82 Cb 0.70 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 1lkj h GLU 82 CO 0.00 -0.51 0.06 1.96 -0.73 0.00 0.00 179.01 179.79 1lkj h GLN 83 N -0.79 0.05 -0.37 1.92 4.20 -2.00 -1.81 115.11 116.30 1lkj h GLN 83 Ca -0.04 -0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 1lkj h GLN 83 Cb 0.69 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1lkj h GLN 83 CO -0.03 0.03 -0.29 0.93 -0.67 0.00 0.00 178.83 178.80 1lkj h GLU 84 N 0.05 0.85 -0.31 1.46 5.08 -1.48 -1.83 114.58 118.41 1lkj h GLU 84 Ca 0.04 -0.42 -0.07 0.00 -1.00 0.00 0.00 59.36 57.90 1lkj h GLU 84 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1lkj h GLU 84 CO -0.00 1.06 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.92 1lkj h LEU 85 N 0.66 0.60 -1.61 1.33 3.38 -0.27 -2.61 115.31 116.79 1lkj h LEU 85 Ca 0.07 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1lkj h LEU 85 Cb 0.87 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1lkj h LEU 85 CO 0.08 0.84 -0.21 -0.07 0.09 0.00 0.00 178.44 179.16 1lkj h LEU 86 N 0.37 0.00 -0.19 1.67 3.38 -1.37 -2.28 115.31 116.89 1lkj h LEU 86 Ca 0.08 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1lkj h LEU 86 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1lkj h LEU 86 CO 0.03 0.21 -0.40 -0.33 0.09 0.00 0.00 178.44 178.04 1lkj h GLU 87 N 0.00 0.60 -0.20 1.13 3.07 -1.07 -1.78 114.58 116.34 1lkj h GLU 87 Ca -0.00 -0.40 -0.05 0.00 -0.50 0.00 0.00 59.36 58.41 1lkj h GLU 87 Cb 0.46 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 1lkj h GLU 87 CO 0.03 1.01 -0.06 0.00 -1.40 0.00 0.00 179.01 178.59 1lkj h ALA 88 N 0.58 0.27 -0.37 3.43 0.00 -1.24 -2.47 119.26 119.47 1lkj h ALA 88 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1lkj h ALA 88 Cb 1.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1lkj h ALA 88 CO 0.09 0.06 0.07 0.74 0.00 0.00 0.00 179.25 180.20 1lkj h PHE 89 N 0.10 0.55 -0.52 0.00 0.04 -1.47 -2.42 116.94 113.21 1lkj h PHE 89 Ca 0.05 -0.04 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 1lkj h PHE 89 Cb 0.52 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 1lkj h PHE 89 CO 0.06 0.50 -0.09 0.87 -0.60 0.00 0.00 178.31 179.05 1lkj h LYS 90 N 0.53 0.95 -0.40 1.51 1.57 -1.18 -2.45 116.57 117.11 1lkj h LYS 90 Ca 0.12 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.49 1lkj h LYS 90 Cb 0.24 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1lkj h LYS 90 CO 0.00 0.99 -0.09 0.28 -0.57 0.00 0.00 179.45 180.06 1lkj h VAL 91 N 0.86 1.25 -0.01 0.50 2.07 -0.98 -2.62 116.25 117.31 1lkj h VAL 91 Ca 0.14 -1.10 -0.10 0.00 0.82 0.00 0.00 66.70 66.47 1lkj h VAL 91 Cb 0.63 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1lkj h VAL 91 CO 0.04 0.37 -0.46 -0.26 0.02 0.00 0.00 177.57 177.28 1lkj h PHE 92 N 0.64 0.03 -3.83 1.57 -1.00 -1.23 -3.43 116.94 109.69 1lkj h PHE 92 Ca 0.12 -0.01 -0.49 0.00 2.81 0.00 0.00 57.97 60.39 1lkj h PHE 92 Cb 0.53 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.09 1lkj h PHE 92 CO 0.02 0.49 0.42 0.34 -1.61 0.00 0.00 178.31 177.97 1lkj s ASP 93 N -6.90 7.27 -0.18 2.17 2.15 -0.94 -4.97 116.67 115.27 1lkj s ASP 93 Ca -0.02 2.09 -0.03 0.00 0.43 0.00 0.00 52.55 55.01 1lkj s ASP 93 Cb 0.14 -2.61 -0.10 0.00 -0.30 0.00 0.00 42.92 40.05 1lkj s ASP 93 CO 0.74 -0.13 -0.19 0.29 -0.17 0.00 0.00 175.17 175.71 1lkj n LYS 94 N 0.93 0.41 -0.32 4.34 4.76 -1.26 -4.57 118.16 122.45 1lkj n LYS 94 Ca 0.00 0.13 -0.01 0.00 -2.87 0.00 0.00 58.31 55.57 1lkj n LYS 94 Cb 0.47 -1.26 0.12 0.00 -1.84 0.00 0.00 35.03 32.52 1lkj n LYS 94 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 1lkj h ASN 95 N -0.29 0.93 0.00 4.39 2.35 -1.93 -3.46 115.58 117.57 1lkj h ASN 95 Ca -0.42 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 1lkj h ASN 95 Cb 1.52 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.68 1lkj h ASN 95 CO -0.16 0.63 0.00 0.61 -1.65 0.00 0.00 177.43 176.87 1lkj n GLY 96 N -1.34 3.72 3.78 2.83 0.00 -1.26 -5.10 105.19 107.82 1lkj n GLY 96 Ca 0.11 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 1lkj n GLY 96 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lkj s ASP 97 N 0.00 5.89 -1.05 1.61 -1.08 -1.26 -4.86 116.67 115.92 1lkj s ASP 97 Ca 0.00 2.08 -0.25 0.00 -0.52 0.00 0.00 52.55 53.87 1lkj s ASP 97 Cb 0.00 -2.57 -0.12 0.00 -1.46 0.00 0.00 42.92 38.76 1lkj s ASP 97 CO 0.00 -1.10 2.05 -0.83 0.52 0.00 0.00 175.17 175.81 1lkj s GLY 98 N -1.90 -0.32 -0.20 2.66 0.00 -1.26 -4.81 107.32 101.50 1lkj s GLY 98 Ca 0.71 -1.65 -0.04 0.00 0.00 0.00 0.00 44.72 43.73 1lkj s GLY 98 CO 0.26 3.83 0.25 1.08 0.00 0.00 0.00 173.10 178.52 1lkj s LEU 99 N 12.97 -0.21 0.06 0.66 1.43 -1.26 -3.49 118.68 128.84 1lkj s LEU 99 Ca 0.76 -0.04 -0.00 0.00 -1.03 0.00 0.00 54.13 53.81 1lkj s LEU 99 Cb -0.05 0.54 -0.04 0.00 0.03 0.00 0.00 46.19 46.67 1lkj s LEU 99 CO 0.11 -0.31 -0.03 0.27 0.23 0.00 0.00 176.35 176.62 1lkj s ILE 100 N 2.37 0.31 0.63 -0.59 -4.36 -0.37 -4.84 121.20 114.36 1lkj s ILE 100 Ca 0.07 -1.84 -0.11 0.00 -0.26 0.00 0.00 60.65 58.51 1lkj s ILE 100 Cb -0.15 -1.58 -0.04 0.00 1.25 0.00 0.00 42.46 41.94 1lkj s ILE 100 CO -0.12 -0.94 1.03 -0.44 0.24 0.00 0.00 174.94 174.71 1lkj s SER 101 N -2.95 6.16 0.44 4.36 0.01 -1.26 0.61 113.70 121.06 1lkj s SER 101 Ca 0.09 1.42 0.17 0.00 1.31 0.00 0.00 55.95 58.93 1lkj s SER 101 Cb 0.07 -2.45 1.09 0.00 0.21 0.00 0.00 66.02 64.94 1lkj s SER 101 CO -0.08 -0.92 1.93 0.00 0.41 0.00 0.00 173.24 174.58 1lkj h ALA 102 N -0.35 2.15 0.30 1.44 0.00 -1.95 -1.61 119.26 119.24 1lkj h ALA 102 Ca -0.44 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1lkj h ALA 102 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1lkj h ALA 102 CO 0.62 -0.34 -0.14 0.00 0.00 0.00 0.00 179.25 179.38 1lkj h ALA 103 N 1.66 -0.40 0.00 0.00 0.00 -2.00 -0.93 119.26 117.59 1lkj h ALA 103 Ca 0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1lkj h ALA 103 Cb 0.84 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1lkj h ALA 103 CO -0.10 -0.67 -0.11 0.93 0.00 0.00 0.00 179.25 179.30 1lkj h GLU 104 N -0.50 0.00 -0.22 0.00 5.08 -1.75 -2.05 114.58 115.14 1lkj h GLU 104 Ca -0.04 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1lkj h GLU 104 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1lkj h GLU 104 CO 0.07 0.11 -0.27 1.25 -1.00 0.00 0.00 179.01 179.17 1lkj h LEU 105 N 0.00 0.61 -0.60 1.33 5.85 -0.88 -2.48 115.31 119.15 1lkj h LEU 105 Ca -0.00 -0.50 -0.09 0.00 0.84 0.00 0.00 57.88 58.13 1lkj h LEU 105 Cb 0.21 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1lkj h LEU 105 CO 0.01 0.98 0.03 0.11 -0.34 0.00 0.00 178.44 179.24 1lkj h LYS 106 N 0.25 1.04 -0.56 1.25 1.57 -0.74 -1.99 116.57 117.39 1lkj h LYS 106 Ca 0.03 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 1lkj h LYS 106 Cb 0.83 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 1lkj h LYS 106 CO 0.06 1.01 0.24 1.25 -0.57 0.00 0.00 179.45 181.44 1lkj h HIS 107 N 0.94 0.80 -0.19 -1.35 2.76 -1.37 -2.42 115.15 114.32 1lkj h HIS 107 Ca 0.17 -0.04 -0.18 0.00 -2.20 0.00 0.00 60.37 58.13 1lkj h HIS 107 Cb 0.52 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.23 1lkj h HIS 107 CO 0.04 0.61 -0.60 0.28 -1.30 0.00 0.00 177.93 176.97 1lkj h VAL 108 N 0.80 1.31 -0.44 5.26 2.07 -1.15 -2.61 116.25 121.49 1lkj h VAL 108 Ca 0.19 -1.85 -0.03 0.00 0.82 0.00 0.00 66.70 65.83 1lkj h VAL 108 Cb 0.14 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1lkj h VAL 108 CO -0.02 0.58 0.14 -0.07 0.02 0.00 0.00 177.57 178.22 1lkj h LEU 109 N 0.47 0.58 -0.23 2.57 4.07 -0.90 -1.47 115.31 120.40 1lkj h LEU 109 Ca -0.00 -0.08 -0.22 0.00 0.08 0.00 0.00 57.88 57.67 1lkj h LEU 109 Cb 1.17 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.76 1lkj h LEU 109 CO 0.12 0.56 -0.87 0.74 -1.08 0.00 0.00 178.44 177.91 1lkj h THR 110 N 0.63 1.38 -0.46 0.22 2.02 -1.36 -3.12 112.91 112.22 1lkj h THR 110 Ca 0.15 -2.31 -0.12 0.00 0.77 0.00 0.00 66.41 64.89 1lkj h THR 110 Cb 0.19 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 1lkj h THR 110 CO -0.01 0.70 -0.19 0.28 0.37 0.00 0.00 175.52 176.66 1lkj h SER 111 N 0.28 0.96 0.15 4.18 0.02 -1.07 -2.72 113.55 115.35 1lkj h SER 111 Ca -0.07 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.48 1lkj h SER 111 Cb 1.49 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 1lkj h SER 111 CO 0.15 1.14 -0.07 0.40 -1.14 0.00 0.00 176.83 177.32 1lkj h ILE 112 N 0.78 0.67 -0.07 3.27 2.04 -1.31 -3.46 117.51 119.42 1lkj h ILE 112 Ca 0.11 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1lkj h ILE 112 Cb 0.76 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1lkj h ILE 112 CO 0.06 0.06 0.00 0.61 0.00 0.00 0.00 178.15 178.89 1lkj n GLY 113 N -1.09 0.75 3.71 5.37 0.00 -1.02 -5.02 105.19 107.89 1lkj n GLY 113 Ca -0.03 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.40 4.45 -1.55 1.61 0.41 -1.18 -4.91 118.70 114.12 1lkj s GLU 114 Ca 0.00 1.74 -0.12 0.00 -0.41 0.00 0.00 54.97 56.18 1lkj s GLU 114 Cb 0.00 -3.35 -0.04 0.00 -1.78 0.00 0.00 34.13 28.96 1lkj s GLU 114 CO 0.00 -0.23 2.65 1.17 -0.49 0.00 0.00 175.26 178.36 1lkj n LYS 115 N 3.88 3.33 -4.63 1.61 4.81 -1.26 -4.90 118.16 121.01 1lkj n LYS 115 Ca 0.09 -2.36 -0.33 0.00 -0.87 0.00 0.00 58.31 54.83 1lkj n LYS 115 Cb 0.47 -3.00 -0.13 0.00 0.02 0.00 0.00 35.03 32.38 1lkj n LYS 115 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1lkj s LEU 116 N 1.03 2.97 0.00 3.14 1.43 -1.26 -5.12 118.68 120.87 1lkj s LEU 116 Ca 0.60 -0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 53.32 1lkj s LEU 116 Cb 0.16 -1.68 0.25 0.00 0.03 0.00 0.00 46.19 44.95 1lkj s LEU 116 CO -0.07 0.20 1.05 0.35 0.23 0.00 0.00 176.35 178.12 1lkj n THR 117 N 3.29 0.00 0.08 5.49 -2.24 -1.26 -4.93 114.28 114.72 1lkj n THR 117 Ca -0.18 -0.58 -0.11 0.00 -2.27 0.00 0.00 64.05 60.92 1lkj n THR 117 Cb 0.53 -1.33 -0.06 0.00 -2.10 0.00 0.00 70.33 67.37 1lkj n THR 117 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1lkj h ASP 118 N -2.23 0.30 -0.41 3.42 3.58 -2.00 -3.23 116.42 115.85 1lkj h ASP 118 Ca -0.38 -0.27 -0.05 0.00 0.42 0.00 0.00 57.03 56.75 1lkj h ASP 118 Cb 1.11 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.04 1lkj h ASP 118 CO 0.25 1.12 0.08 0.00 -2.88 0.00 0.00 179.24 177.81 1lkj h ALA 119 N 0.85 1.24 0.18 -0.78 0.00 -1.99 -2.11 119.26 116.65 1lkj h ALA 119 Ca -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1lkj h ALA 119 Cb 1.66 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1lkj h ALA 119 CO 0.15 0.52 -0.09 0.93 0.00 0.00 0.00 179.25 180.77 1lkj h GLU 120 N 0.72 -0.23 0.00 0.00 4.39 -1.93 -1.27 114.58 116.26 1lkj h GLU 120 Ca 0.16 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 1lkj h GLU 120 Cb 0.32 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1lkj h GLU 120 CO 0.00 -0.02 -0.03 0.28 -1.16 0.00 0.00 179.01 178.08 1lkj h VAL 121 N -0.41 0.58 -0.01 3.13 2.07 -1.55 0.22 116.25 120.29 1lkj h VAL 121 Ca -0.02 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1lkj h VAL 121 Cb 0.32 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1lkj h VAL 121 CO 0.04 0.03 -0.07 -0.78 0.02 0.00 0.00 177.57 176.81 1lkj h ASP 122 N 0.00 0.07 0.17 0.57 3.58 -0.90 -1.18 116.42 118.73 1lkj h ASP 122 Ca -0.00 -0.72 -0.11 0.00 0.42 0.00 0.00 57.03 56.62 1lkj h ASP 122 Cb 0.09 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1lkj h ASP 122 CO 0.00 0.78 -0.41 -0.78 -2.88 0.00 0.00 179.24 175.96 1lkj h ASP 123 N -0.63 0.33 0.91 2.28 1.82 -0.87 -2.63 116.42 117.63 1lkj h ASP 123 Ca -0.01 -0.14 -0.14 0.00 -0.39 0.00 0.00 57.03 56.36 1lkj h ASP 123 Cb 0.79 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.68 1lkj h ASP 123 CO 0.01 0.71 -0.66 -0.03 -1.61 0.00 0.00 179.24 177.66 1lkj h MET 124 N 0.26 0.00 -0.21 0.28 4.05 -1.02 -3.06 114.93 115.24 1lkj h MET 124 Ca 0.02 0.00 -0.21 0.00 -0.28 0.00 0.00 59.70 59.24 1lkj h MET 124 Cb 0.83 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.64 1lkj h MET 124 CO 0.07 0.66 -0.69 -0.07 0.23 0.00 0.00 176.91 177.11 1lkj h LEU 125 N 0.00 0.96 -1.13 3.39 3.38 -0.97 -1.65 115.31 119.29 1lkj h LEU 125 Ca -0.01 -0.58 -0.08 0.00 0.09 0.00 0.00 57.88 57.30 1lkj h LEU 125 Cb 1.29 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1lkj h LEU 125 CO 0.09 1.38 -0.23 0.03 0.09 0.00 0.00 178.44 179.80 1lkj h ARG 126 N 0.59 0.33 0.02 1.13 3.08 -1.49 0.87 114.38 118.91 1lkj h ARG 126 Ca -0.03 -0.11 -0.22 0.00 0.07 0.00 0.00 59.98 59.70 1lkj h ARG 126 Cb 1.31 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.31 1lkj h ARG 126 CO 0.15 0.54 -1.04 0.93 -1.07 0.00 0.00 179.97 179.47 1lkj h GLU 127 N 0.29 0.05 0.08 0.04 5.08 -1.49 -3.34 114.58 115.30 1lkj h GLU 127 Ca 0.05 -0.08 -0.33 0.00 -1.00 0.00 0.00 59.36 57.99 1lkj h GLU 127 Cb 0.57 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1lkj h GLU 127 CO 0.04 1.04 -1.82 0.28 -1.00 0.00 0.00 179.01 177.55 1lkj h VAL 128 N 0.01 0.78 0.00 3.13 2.07 -1.05 -3.39 116.25 117.80 1lkj h VAL 128 Ca -0.03 -2.54 -0.58 0.00 0.82 0.00 0.00 66.70 64.37 1lkj h VAL 128 Cb 1.81 2.51 0.02 0.00 -1.52 0.00 0.00 31.29 34.10 1lkj h VAL 128 CO 0.14 0.73 2.95 -0.24 0.02 0.00 0.00 177.57 181.18 1lkj n SER 129 N -3.31 5.05 0.18 0.57 2.88 0.30 -4.56 113.62 114.73 1lkj n SER 129 Ca -0.24 -2.58 0.04 0.00 -1.33 0.00 0.00 58.87 54.77 1lkj n SER 129 Cb 1.05 -1.33 0.33 0.00 -0.75 0.00 0.00 64.21 63.51 1lkj n SER 129 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1lkj h ASP 130 N 6.31 0.00 0.00 -3.46 3.32 -1.79 -3.43 116.42 117.37 1lkj h ASP 130 Ca 0.59 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.64 1lkj h ASP 130 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1lkj h ASP 130 CO 1.74 0.41 0.00 0.61 -1.72 0.00 0.00 179.24 180.28 1lkj n GLY 131 N 0.10 0.44 0.00 2.75 0.00 -1.26 -5.09 105.19 102.12 1lkj n GLY 131 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1lkj n GLY 131 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1lkj n SER 132 N 0.00 0.00 0.00 1.61 7.64 -1.26 -5.08 113.62 116.53 1lkj n SER 132 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1lkj n SER 132 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1lkj n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lkj n GLY 133 N -0.82 -2.01 3.77 0.23 0.00 -1.26 -4.91 105.19 100.18 1lkj n GLY 133 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 2.72 0.16 1.61 8.01 -1.26 -4.76 118.70 125.18 1lkj s GLU 134 Ca 0.00 -1.15 0.03 0.00 0.01 0.00 0.00 54.97 53.86 1lkj s GLU 134 Cb 0.00 -2.44 -0.04 0.00 -4.31 0.00 0.00 34.13 27.34 1lkj s GLU 134 CO 0.00 0.40 0.25 0.42 0.01 0.00 0.00 175.26 176.34 1lkj s ILE 135 N -2.16 5.11 -0.23 -1.63 1.01 0.20 -4.80 121.20 118.70 1lkj s ILE 135 Ca 0.32 -0.81 -0.17 0.00 0.00 0.00 0.00 60.65 59.99 1lkj s ILE 135 Cb -0.08 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 1lkj s ILE 135 CO 0.23 -0.11 0.47 0.21 0.00 0.00 0.00 174.94 175.74 1lkj s ASN 136 N -3.26 6.45 0.64 3.58 2.47 -1.26 -1.23 114.94 122.34 1lkj s ASN 136 Ca 0.34 0.54 0.42 0.00 0.42 0.00 0.00 52.86 54.57 1lkj s ASN 136 Cb -0.11 -2.26 2.20 0.00 -1.45 0.00 0.00 41.25 39.63 1lkj s ASN 136 CO 0.27 -0.19 2.30 0.16 -3.72 0.00 0.00 177.10 175.92 1lkj h ILE 137 N 5.22 0.05 -0.68 -5.21 3.07 -1.93 -2.47 117.51 115.56 1lkj h ILE 137 Ca -0.32 -0.11 -0.00 0.00 1.55 0.00 0.00 64.86 65.98 1lkj h ILE 137 Cb 1.15 1.10 -0.03 0.00 -0.27 0.00 0.00 36.82 38.77 1lkj h ILE 137 CO 0.71 0.00 0.42 -0.61 -1.05 0.00 0.00 178.15 177.63 1lkj h GLN 138 N 0.00 0.91 -0.19 0.16 -0.00 -1.92 0.56 115.11 114.63 1lkj h GLN 138 Ca -0.00 -0.07 -0.12 0.00 -0.00 0.00 0.00 58.65 58.46 1lkj h GLN 138 Cb 0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 27.48 27.38 1lkj h GLN 138 CO 0.00 0.64 -0.33 1.96 0.00 0.00 0.00 178.83 181.10 1lkj h GLN 139 N 0.92 0.57 -0.31 1.69 4.20 -1.85 -1.02 115.11 119.31 1lkj h GLN 139 Ca 0.25 -0.35 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 1lkj h GLN 139 Cb -0.05 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1lkj h GLN 139 CO -0.05 0.96 -0.06 0.35 -0.67 0.00 0.00 178.83 179.35 1lkj h PHE 140 N 0.23 0.66 -0.21 2.96 3.04 -1.49 -2.51 116.94 119.63 1lkj h PHE 140 Ca 0.01 -0.14 -0.08 0.00 3.98 0.00 0.00 57.97 61.75 1lkj h PHE 140 Cb 0.92 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.25 1lkj h PHE 140 CO 0.09 0.77 -0.20 0.00 -2.02 0.00 0.00 178.31 176.94 1lkj h ALA 141 N 0.80 1.27 -0.56 2.41 0.00 0.09 -2.57 119.26 120.70 1lkj h ALA 141 Ca 0.08 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1lkj h ALA 141 Cb 0.55 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1lkj h ALA 141 CO 0.03 0.48 -0.01 0.00 0.00 0.00 0.00 179.25 179.75 1lkj h ALA 142 N 1.46 0.93 -0.40 0.00 0.00 -1.00 0.12 119.26 120.37 1lkj h ALA 142 Ca 0.06 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1lkj h ALA 142 Cb 0.55 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1lkj h ALA 142 CO 0.04 0.64 -0.24 -0.07 0.00 0.00 0.00 179.25 179.62 1lkj h LEU 143 N 0.89 0.83 -0.19 0.00 3.38 -1.15 -2.90 115.31 116.16 1lkj h LEU 143 Ca 0.16 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 1lkj h LEU 143 Cb 0.53 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1lkj h LEU 143 CO 0.03 1.04 -0.48 -0.07 0.09 0.00 0.00 178.44 179.05 1lkj h LEU 144 N 0.70 0.00 -8.35 1.67 3.38 -1.23 -3.42 115.31 108.06 1lkj h LEU 144 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1lkj h LEU 144 Cb 0.77 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1lkj h LEU 144 CO 0.06 0.48 0.11 -0.55 0.09 0.00 0.00 178.44 178.63 1lkj s SER 145 N -6.44 3.91 0.00 -0.43 0.15 0.39 -5.04 113.70 106.24 1lkj s SER 145 Ca 0.03 0.11 0.19 0.00 0.70 0.00 0.00 55.95 56.98 1lkj s SER 145 Cb 0.08 -2.55 0.15 0.00 -1.71 0.00 0.00 66.02 62.00 1lkj s SER 145 CO 0.73 -3.84 1.12 1.17 1.20 0.00 0.00 173.24 173.62