#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lkj s SER 2 N 0.00 -0.27 0.60 4.04 1.04 -1.26 -5.13 113.70 112.72 1lkj s SER 2 Ca 0.00 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.56 1lkj s SER 2 Cb 0.00 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1lkj s SER 2 CO 0.00 -0.54 0.00 -3.20 0.98 0.00 0.00 173.24 170.48 1lkj n ASN 3 N 0.95 -3.90 -4.68 7.02 2.85 -1.26 -4.44 115.26 111.80 1lkj n ASN 3 Ca -0.20 0.08 -0.49 0.00 -0.11 0.00 0.00 54.58 53.86 1lkj n ASN 3 Cb 0.57 -0.24 -0.05 0.00 1.24 0.00 0.00 39.78 41.31 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 0.00 3.30 -4.62 1.20 4.77 -1.26 -4.95 117.00 115.44 1lkj n LEU 4 Ca 0.00 1.00 -0.29 0.00 -0.03 0.00 0.00 56.01 56.68 1lkj n LEU 4 Cb 0.03 -1.36 0.22 0.00 -2.33 0.00 0.00 43.42 39.98 1lkj n LEU 4 CO 0.00 -0.13 0.63 0.42 -1.33 0.00 0.00 177.39 176.98 1lkj s THR 5 N 3.55 1.77 0.42 -5.08 -4.23 -1.26 -4.69 115.64 106.12 1lkj s THR 5 Ca 0.91 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 61.51 1lkj s THR 5 Cb -0.72 -2.48 0.23 0.00 1.34 0.00 0.00 72.50 70.86 1lkj s THR 5 CO 0.51 0.00 2.02 -0.33 -0.54 0.00 0.00 174.62 176.28 1lkj h GLU 6 N -2.32 0.35 0.17 3.99 4.39 -1.94 -1.41 114.58 117.81 1lkj h GLU 6 Ca -0.49 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.16 1lkj h GLU 6 Cb 1.31 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1lkj h GLU 6 CO 0.44 0.31 -0.08 0.93 -1.16 0.00 0.00 179.01 179.45 1lkj h GLU 7 N 0.35 -0.21 -0.66 2.33 5.08 -1.99 0.18 114.58 119.66 1lkj h GLU 7 Ca 0.09 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1lkj h GLU 7 Cb 0.10 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1lkj h GLU 7 CO -0.01 0.04 0.29 1.96 -1.00 0.00 0.00 179.01 180.29 1lkj h GLN 8 N -0.45 0.97 -0.36 2.33 4.20 -1.85 -2.41 115.11 117.53 1lkj h GLN 8 Ca -0.02 -0.16 -0.10 0.00 0.06 0.00 0.00 58.65 58.43 1lkj h GLN 8 Cb 0.35 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1lkj h GLN 8 CO 0.04 0.79 -0.17 0.82 -0.67 0.00 0.00 178.83 179.63 1lkj h ILE 9 N 0.92 1.26 -0.52 2.54 2.04 -1.19 -2.70 117.51 119.87 1lkj h ILE 9 Ca 0.22 -1.22 -0.04 0.00 1.00 0.00 0.00 64.86 64.83 1lkj h ILE 9 Cb 0.16 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1lkj h ILE 9 CO -0.02 0.40 0.17 0.00 0.00 0.00 0.00 178.15 178.70 1lkj h ALA 10 N 1.21 1.33 -0.10 1.87 0.00 -0.24 -0.96 119.26 122.38 1lkj h ALA 10 Ca 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1lkj h ALA 10 Cb 0.63 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1lkj h ALA 10 CO 0.04 0.49 -0.05 1.49 0.00 0.00 0.00 179.25 181.22 1lkj h GLU 11 N 0.74 0.21 -0.69 0.00 4.57 -1.14 -2.54 114.58 115.74 1lkj h GLU 11 Ca 0.17 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.22 1lkj h GLU 11 Cb 0.21 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 1lkj h GLU 11 CO -0.01 0.57 0.29 0.74 -1.18 0.00 0.00 179.01 179.42 1lkj h PHE 12 N -0.15 1.02 -0.87 0.92 0.04 -1.29 -2.44 116.94 114.17 1lkj h PHE 12 Ca 0.02 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 1lkj h PHE 12 Cb 0.51 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 38.31 1lkj h PHE 12 CO 0.07 0.77 0.47 -0.22 -0.60 0.00 0.00 178.31 178.80 1lkj h LYS 13 N 1.00 1.22 0.18 1.51 3.64 -1.11 0.30 116.57 123.31 1lkj h LYS 13 Ca 0.23 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1lkj h LYS 13 Cb 0.17 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1lkj h LYS 13 CO -0.02 0.90 -0.09 0.93 -2.27 0.00 0.00 179.45 178.90 1lkj h GLU 14 N 1.22 -0.24 -0.31 1.90 4.39 -1.00 0.32 114.58 120.86 1lkj h GLU 14 Ca 0.31 0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.93 1lkj h GLU 14 Cb 0.04 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1lkj h GLU 14 CO -0.05 -0.00 -0.20 0.00 -1.16 0.00 0.00 179.01 177.60 1lkj h ALA 15 N 0.33 1.08 -0.28 3.43 0.00 -1.32 -2.29 119.26 120.22 1lkj h ALA 15 Ca -0.03 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.37 1lkj h ALA 15 Cb 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1lkj h ALA 15 CO 0.04 0.56 -0.55 0.35 0.00 0.00 0.00 179.25 179.65 1lkj h PHE 16 N 0.51 1.07 0.00 0.00 3.04 -0.27 -3.02 116.94 118.27 1lkj h PHE 16 Ca 0.08 -0.38 -0.07 0.00 3.98 0.00 0.00 57.97 61.58 1lkj h PHE 16 Cb 0.63 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.93 1lkj h PHE 16 CO 0.02 1.20 -0.31 0.00 -2.02 0.00 0.00 178.31 177.21 1lkj h ALA 17 N 0.72 1.42 -0.70 2.41 0.00 -0.19 -2.68 119.26 120.25 1lkj h ALA 17 Ca 0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1lkj h ALA 17 Cb 1.15 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1lkj h ALA 17 CO 0.12 0.39 0.33 -0.07 0.00 0.00 0.00 179.25 180.02 1lkj h LEU 18 N 0.00 0.90 -3.70 0.00 3.38 -1.28 -2.26 115.31 112.35 1lkj h LEU 18 Ca -0.00 -0.10 -0.21 0.00 0.09 0.00 0.00 57.88 57.66 1lkj h LEU 18 Cb 0.57 -0.23 -0.12 0.00 0.09 0.00 0.00 40.66 40.97 1lkj h LEU 18 CO 0.04 0.77 0.25 0.49 0.09 0.00 0.00 178.44 180.08 1lkj n PHE 19 N -4.33 2.32 -3.99 1.13 3.01 -1.04 -4.91 117.46 109.66 1lkj n PHE 19 Ca 0.07 -1.22 -0.35 0.00 1.01 0.00 0.00 57.45 56.95 1lkj n PHE 19 Cb 0.14 -0.66 -0.13 0.00 -0.01 0.00 0.00 39.48 38.82 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 -1.18 4.81 0.00 4.37 2.15 -0.85 -4.68 116.67 121.29 1lkj s ASP 20 Ca 0.54 -0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.29 1lkj s ASP 20 Cb 0.44 -1.83 0.00 0.00 -0.30 0.00 0.00 42.92 41.22 1lkj s ASP 20 CO 0.12 0.03 0.00 0.29 -0.17 0.00 0.00 175.17 175.45 1lkj n LYS 21 N 4.45 0.00 -2.17 4.34 4.76 -1.26 -4.98 118.16 123.30 1lkj n LYS 21 Ca -0.17 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.25 1lkj n LYS 21 Cb 0.52 -0.01 0.03 0.00 -1.84 0.00 0.00 35.03 33.73 1lkj n LYS 21 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1lkj n ASP 22 N 0.00 -0.79 -0.05 4.39 2.03 -1.26 -5.02 116.55 115.85 1lkj n ASP 22 Ca 0.00 -1.57 -0.05 0.00 0.52 0.00 0.00 54.79 53.69 1lkj n ASP 22 Cb 0.00 0.51 -0.02 0.00 -0.72 0.00 0.00 41.12 40.89 1lkj n ASP 22 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1lkj n ASN 23 N -0.54 1.16 -1.05 1.67 5.15 -1.26 -4.92 115.26 115.47 1lkj n ASN 23 Ca -0.12 0.19 -0.01 0.00 -0.60 0.00 0.00 54.58 54.04 1lkj n ASN 23 Cb 0.65 -0.61 -0.02 0.00 -0.53 0.00 0.00 39.78 39.28 1lkj n ASN 23 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1lkj n ASN 24 N -3.66 -0.04 -2.70 1.20 4.13 -1.26 -5.00 115.26 107.92 1lkj n ASN 24 Ca -0.08 -1.87 -0.12 0.00 1.68 0.00 0.00 54.58 54.20 1lkj n ASN 24 Cb 0.29 -0.01 0.06 0.00 -1.54 0.00 0.00 39.78 38.58 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 0.18 -0.18 3.05 7.41 0.00 -1.26 -4.92 105.19 109.47 1lkj n GLY 25 Ca -0.09 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.85 0.49 0.25 1.61 1.04 -1.26 -3.31 113.70 108.66 1lkj s SER 26 Ca 0.05 -0.74 0.12 0.00 0.48 0.00 0.00 55.95 55.85 1lkj s SER 26 Cb -0.01 0.13 -0.05 0.00 0.10 0.00 0.00 66.02 66.20 1lkj s SER 26 CO 0.51 -0.42 -0.21 0.27 0.98 0.00 0.00 173.24 174.38 1lkj s ILE 27 N -2.56 2.40 0.59 -1.02 -4.36 0.89 -4.59 121.20 112.55 1lkj s ILE 27 Ca -0.04 -2.30 -0.11 0.00 -0.26 0.00 0.00 60.65 57.93 1lkj s ILE 27 Cb -0.02 -2.24 -0.05 0.00 1.25 0.00 0.00 42.46 41.41 1lkj s ILE 27 CO -0.05 -0.34 1.00 -0.44 0.24 0.00 0.00 174.94 175.35 1lkj s SER 28 N -3.28 6.30 0.24 4.36 0.01 -1.26 0.10 113.70 120.17 1lkj s SER 28 Ca 0.27 1.40 -0.06 0.00 1.31 0.00 0.00 55.95 58.87 1lkj s SER 28 Cb -0.06 -2.45 0.23 0.00 0.21 0.00 0.00 66.02 63.95 1lkj s SER 28 CO 0.13 -0.79 1.83 0.77 0.41 0.00 0.00 173.24 175.59 1lkj h SER 29 N -0.03 1.07 -0.34 2.44 4.64 -1.96 -1.89 113.55 117.48 1lkj h SER 29 Ca -0.45 -0.13 0.10 0.00 -0.47 0.00 0.00 61.79 60.84 1lkj h SER 29 Cb 1.19 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 1lkj h SER 29 CO 0.62 0.91 0.31 0.77 -0.87 0.00 0.00 176.83 178.56 1lkj h SER 30 N 1.17 0.00 0.67 4.97 4.64 -1.93 0.16 113.55 123.23 1lkj h SER 30 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1lkj h SER 30 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1lkj h SER 30 CO -0.03 0.00 -0.89 -0.62 -0.87 0.00 0.00 176.83 174.41 1lkj n GLU 31 N -3.99 0.35 0.16 4.77 1.02 -0.74 -4.31 120.64 117.89 1lkj n GLU 31 Ca 0.05 0.04 -0.14 0.00 -0.02 0.00 0.00 57.16 57.10 1lkj n GLU 31 Cb 0.47 -1.66 -0.07 0.00 -0.02 0.00 0.00 31.44 30.16 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 -0.92 -1.02 -4.62 5.85 -0.34 0.29 115.31 114.54 1lkj h LEU 32 Ca 0.00 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.88 1lkj h LEU 32 Cb 0.78 0.33 -0.07 0.00 0.37 0.00 0.00 40.66 42.08 1lkj h LEU 32 CO 0.00 -0.44 0.64 0.00 -0.34 0.00 0.00 178.44 178.31 1lkj h ALA 33 N -0.03 1.42 -0.54 1.25 0.00 -1.75 -1.66 119.26 117.94 1lkj h ALA 33 Ca 0.01 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1lkj h ALA 33 Cb 0.60 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1lkj h ALA 33 CO -0.13 0.43 -0.07 1.15 0.00 0.00 0.00 179.25 180.63 1lkj h THR 34 N 1.16 1.27 -0.90 0.00 2.02 -1.58 -2.07 112.91 112.80 1lkj h THR 34 Ca 0.43 -1.21 0.04 0.00 0.77 0.00 0.00 66.41 66.44 1lkj h THR 34 Cb 0.18 0.95 -0.06 0.00 -1.74 0.00 0.00 68.15 67.48 1lkj h THR 34 CO -0.17 0.43 0.58 0.58 0.37 0.00 0.00 175.52 177.31 1lkj h VAL 35 N 0.87 1.13 0.00 3.16 2.07 0.46 -0.28 116.25 123.66 1lkj h VAL 35 Ca 0.14 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 1lkj h VAL 35 Cb 0.63 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1lkj h VAL 35 CO 0.04 0.20 -0.39 0.24 0.02 0.00 0.00 177.57 177.68 1lkj h MET 36 N 1.11 0.00 -0.54 1.57 2.86 -1.18 -2.03 114.93 116.72 1lkj h MET 36 Ca 0.37 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.92 1lkj h MET 36 Cb 0.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1lkj h MET 36 CO -0.13 0.39 -0.02 0.07 1.06 0.00 0.00 176.91 178.28 1lkj h ARG 37 N 0.00 0.93 0.07 1.72 0.11 -0.35 0.25 114.38 117.11 1lkj h ARG 37 Ca -0.00 -0.29 -0.24 0.00 0.10 0.00 0.00 59.98 59.55 1lkj h ARG 37 Cb 0.79 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.77 1lkj h ARG 37 CO 0.05 0.94 -1.13 0.77 0.10 0.00 0.00 179.97 180.69 1lkj h SER 38 N 0.86 0.22 0.31 0.08 0.02 -1.22 -3.24 113.55 110.58 1lkj h SER 38 Ca 0.15 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 1lkj h SER 38 Cb 0.54 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 1lkj h SER 38 CO 0.03 1.18 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.70 1lkj h LEU 39 N 0.04 0.00 0.00 5.07 3.38 -1.23 -3.45 115.31 119.11 1lkj h LEU 39 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1lkj h LEU 39 Cb 1.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.63 1lkj h LEU 39 CO 0.17 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.44 1lkj n GLY 40 N -0.78 1.73 3.78 0.83 0.00 -1.03 -5.10 105.19 104.63 1lkj n GLY 40 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 2.60 -0.43 0.99 1.43 0.05 -5.04 118.68 118.28 1lkj s LEU 41 Ca 0.00 -1.42 0.03 0.00 -1.03 0.00 0.00 54.13 51.71 1lkj s LEU 41 Cb 0.00 -1.00 0.26 0.00 0.03 0.00 0.00 46.19 45.48 1lkj s LEU 41 CO 0.00 -0.83 1.05 -1.54 0.23 0.00 0.00 176.35 175.25 1lkj n SER 42 N -1.37 -2.26 -4.75 2.29 3.41 -1.26 -4.45 113.62 105.23 1lkj n SER 42 Ca -0.10 -2.77 -0.41 0.00 -0.26 0.00 0.00 58.87 55.33 1lkj n SER 42 Cb 0.66 1.44 -0.04 0.00 -0.26 0.00 0.00 64.21 66.01 1lkj n SER 42 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1lkj s PRO 43 N 0.44 4.53 1.20 4.33 0.04 -1.26 -5.01 135.00 139.27 1lkj s PRO 43 Ca 0.29 1.89 -0.14 0.00 0.04 0.00 0.00 61.00 63.08 1lkj s PRO 43 Cb 0.23 -3.20 0.30 0.00 0.04 0.00 0.00 34.50 31.86 1lkj s PRO 43 CO -0.18 0.01 1.02 -1.12 0.04 0.00 0.00 177.00 176.77 1lkj s SER 44 N -0.31 0.74 0.54 6.66 0.01 -1.26 -4.66 113.70 115.43 1lkj s SER 44 Ca 0.49 1.36 0.20 0.00 1.31 0.00 0.00 55.95 59.32 1lkj s SER 44 Cb -0.33 -2.10 1.44 0.00 0.21 0.00 0.00 66.02 65.24 1lkj s SER 44 CO 0.40 -4.33 2.18 -0.08 0.41 0.00 0.00 173.24 171.83 1lkj h GLU 45 N -2.71 0.00 -0.29 12.44 4.81 -2.00 -1.87 114.58 124.96 1lkj h GLU 45 Ca -0.60 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.48 1lkj h GLU 45 Cb 1.34 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.72 1lkj h GLU 45 CO 0.49 0.00 -0.39 0.00 -0.73 0.00 0.00 179.01 178.37 1lkj h ALA 46 N 2.00 0.44 -0.52 2.92 0.00 -2.00 -2.26 119.26 119.85 1lkj h ALA 46 Ca -0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 1lkj h ALA 46 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1lkj h ALA 46 CO 0.00 0.54 -0.07 0.93 0.00 0.00 0.00 179.25 180.65 1lkj h GLU 47 N 0.54 0.93 -0.60 0.00 5.08 -1.67 -2.53 114.58 116.33 1lkj h GLU 47 Ca 0.03 -0.31 -0.10 0.00 -1.00 0.00 0.00 59.36 57.98 1lkj h GLU 47 Cb 0.99 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1lkj h GLU 47 CO 0.09 0.96 -0.01 0.28 -1.00 0.00 0.00 179.01 179.33 1lkj h VAL 48 N 0.84 1.27 -0.70 3.13 2.07 -1.38 -2.71 116.25 118.77 1lkj h VAL 48 Ca 0.14 -1.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 1lkj h VAL 48 Cb 0.60 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1lkj h VAL 48 CO 0.04 0.42 0.30 -1.13 0.02 0.00 0.00 177.57 177.22 1lkj h ASN 49 N 0.96 0.93 -0.18 0.57 -1.24 -1.22 -0.99 115.58 114.41 1lkj h ASN 49 Ca 0.17 -0.12 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 1lkj h ASN 49 Cb 0.58 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 1lkj h ASN 49 CO 0.03 0.82 0.07 0.44 -1.29 0.00 0.00 177.43 177.50 1lkj h ASP 50 N 1.01 0.25 -0.60 1.15 3.32 -1.22 0.15 116.42 120.48 1lkj h ASP 50 Ca 0.24 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 1lkj h ASP 50 Cb 0.16 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1lkj h ASP 50 CO -0.02 0.35 0.15 -0.07 -1.72 0.00 0.00 179.24 177.92 1lkj h LEU 51 N 0.13 0.91 -1.10 1.55 3.38 -1.25 -2.43 115.31 116.49 1lkj h LEU 51 Ca 0.06 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 1lkj h LEU 51 Cb 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1lkj h LEU 51 CO -0.00 0.90 -0.44 0.24 0.09 0.00 0.00 178.44 179.23 1lkj h MET 52 N 0.87 0.00 -0.37 1.13 2.86 -1.02 -1.59 114.93 116.81 1lkj h MET 52 Ca 0.19 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.70 1lkj h MET 52 Cb 0.35 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1lkj h MET 52 CO 0.00 0.44 -0.30 -0.91 1.06 0.00 0.00 176.91 177.20 1lkj h ASN 53 N 0.00 0.83 1.08 1.22 -0.26 -0.26 0.61 115.58 118.80 1lkj h ASN 53 Ca -0.00 -0.34 -0.19 0.00 -0.56 0.00 0.00 56.30 55.21 1lkj h ASN 53 Cb 0.80 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.80 1lkj h ASN 53 CO 0.06 1.07 -0.91 -0.08 -1.06 0.00 0.00 177.43 176.51 1lkj h GLU 54 N 0.68 0.00 0.00 0.81 4.81 -1.27 -3.39 114.58 116.22 1lkj h GLU 54 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1lkj h GLU 54 Cb 0.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1lkj h GLU 54 CO 0.07 0.91 -0.30 0.82 -0.73 0.00 0.00 179.01 179.78 1lkj h ILE 55 N 0.00 0.00 -0.57 2.32 2.04 -1.17 -3.43 117.51 116.70 1lkj h ILE 55 Ca -0.01 -0.64 -0.12 0.00 1.00 0.00 0.00 64.86 65.09 1lkj h ILE 55 Cb 1.69 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1lkj h ILE 55 CO 0.12 0.00 0.48 -0.67 0.00 0.00 0.00 178.15 178.07 1lkj n ASP 56 N -3.77 1.71 -0.09 1.72 2.03 0.21 -4.66 116.55 113.71 1lkj n ASP 56 Ca -0.04 -1.22 -0.12 0.00 0.52 0.00 0.00 54.79 53.92 1lkj n ASP 56 Cb 0.15 -1.58 -0.15 0.00 -0.72 0.00 0.00 41.12 38.83 1lkj n ASP 56 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1lkj n VAL 57 N 8.45 1.48 -2.09 5.18 0.31 -1.26 -4.73 118.33 125.67 1lkj n VAL 57 Ca 0.46 -0.77 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1lkj n VAL 57 Cb 0.43 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 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 -2.96 0.11 -0.16 4.52 -0.08 -1.26 -5.02 116.55 111.70 1lkj n ASP 58 Ca -0.33 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 52.91 1lkj n ASP 58 Cb 1.10 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.61 1lkj n ASP 58 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1lkj h GLY 59 N 0.00 0.66 -5.73 0.27 0.00 -2.01 -3.42 103.07 92.84 1lkj h GLY 59 Ca 0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 47.33 47.04 1lkj h GLY 59 CO 0.00 0.05 -0.42 0.21 0.00 0.00 0.00 176.54 176.38 1lkj s ASN 60 N -5.42 -0.32 -0.12 0.19 2.47 -1.26 -5.12 114.94 105.36 1lkj s ASN 60 Ca -0.13 0.61 0.03 0.00 0.42 0.00 0.00 52.86 53.79 1lkj s ASN 60 Cb 0.14 0.53 0.00 0.00 -1.45 0.00 0.00 41.25 40.48 1lkj s ASN 60 CO 0.73 -0.15 -0.23 -2.28 -3.72 0.00 0.00 177.10 171.45 1lkj s HIS 61 N 0.94 2.61 -0.30 0.43 5.65 -1.26 -4.92 115.29 118.44 1lkj s HIS 61 Ca -0.06 -1.14 -0.19 0.00 0.25 0.00 0.00 55.06 53.91 1lkj s HIS 61 Cb -0.07 -1.76 -0.01 0.00 -1.18 0.00 0.00 32.58 29.56 1lkj s HIS 61 CO -0.07 -0.48 0.57 -0.65 -0.65 0.00 0.00 174.74 173.46 1lkj s GLN 62 N 0.52 3.90 -0.03 2.88 -0.21 -1.26 -3.43 119.66 122.03 1lkj s GLN 62 Ca -0.14 0.22 -0.30 0.00 0.02 0.00 0.00 55.36 55.16 1lkj s GLN 62 Cb -0.17 -3.72 -0.03 0.00 1.00 0.00 0.00 33.01 30.10 1lkj s GLN 62 CO 0.05 -0.52 0.98 0.42 -2.12 0.00 0.00 175.29 174.10 1lkj s ILE 63 N 2.48 4.85 0.44 1.08 1.01 0.28 -4.77 121.20 126.58 1lkj s ILE 63 Ca 0.23 2.04 -0.03 0.00 0.00 0.00 0.00 60.65 62.88 1lkj s ILE 63 Cb -0.15 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 37.97 1lkj s ILE 63 CO 0.11 0.12 0.72 -0.70 0.00 0.00 0.00 174.94 175.19 1lkj s GLU 64 N 1.27 3.50 0.51 2.79 2.12 -1.26 -0.07 118.70 127.55 1lkj s GLU 64 Ca 0.51 0.02 0.17 0.00 0.36 0.00 0.00 54.97 56.03 1lkj s GLU 64 Cb -0.20 -2.46 1.26 0.00 0.26 0.00 0.00 34.13 32.98 1lkj s GLU 64 CO 0.25 -0.11 2.12 0.35 -0.54 0.00 0.00 175.26 177.32 1lkj h PHE 65 N 0.37 0.04 0.28 5.30 3.57 -1.91 -0.79 116.94 123.81 1lkj h PHE 65 Ca -0.48 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.01 1lkj h PHE 65 Cb 1.21 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1lkj h PHE 65 CO 0.56 0.03 -0.14 1.03 -2.23 0.00 0.00 178.31 177.56 1lkj h SER 66 N 0.05 -0.32 -0.22 0.41 0.87 -1.93 -1.93 113.55 110.48 1lkj h SER 66 Ca 0.06 -0.20 -0.04 0.00 -1.23 0.00 0.00 61.79 60.38 1lkj h SER 66 Cb 0.17 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1lkj h SER 66 CO -0.00 0.06 0.03 -0.33 -0.53 0.00 0.00 176.83 176.06 1lkj h GLU 67 N -0.75 0.47 -0.02 2.24 5.08 -1.87 -2.49 114.58 117.24 1lkj h GLU 67 Ca -0.04 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1lkj h GLU 67 Cb 0.50 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1lkj h GLU 67 CO 0.06 0.47 0.01 0.35 -1.00 0.00 0.00 179.01 178.91 1lkj h PHE 68 N 0.46 0.03 -0.29 4.33 3.57 -1.09 -0.71 116.94 123.24 1lkj h PHE 68 Ca 0.10 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1lkj h PHE 68 Cb 0.25 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1lkj h PHE 68 CO 0.01 0.20 0.16 -0.07 -2.23 0.00 0.00 178.31 176.38 1lkj h LEU 69 N -0.14 0.35 -0.05 0.59 3.38 -1.12 -0.70 115.31 117.62 1lkj h LEU 69 Ca 0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1lkj h LEU 69 Cb 0.18 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1lkj h LEU 69 CO -0.00 0.28 -0.11 0.00 0.09 0.00 0.00 178.44 178.70 1lkj h ALA 70 N 1.78 0.08 -0.78 1.53 0.00 -1.11 -2.01 119.26 118.74 1lkj h ALA 70 Ca 0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1lkj h ALA 70 Cb 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1lkj h ALA 70 CO -0.02 -0.04 0.39 -0.07 0.00 0.00 0.00 179.25 179.52 1lkj h LEU 71 N -0.35 1.01 -1.07 0.00 3.38 -0.81 -2.27 115.31 115.20 1lkj h LEU 71 Ca 0.00 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1lkj h LEU 71 Cb 0.71 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1lkj h LEU 71 CO 0.03 0.85 -0.14 0.24 0.09 0.00 0.00 178.44 179.50 1lkj h MET 72 N 1.10 0.49 -0.68 1.13 2.86 -1.16 -2.36 114.93 116.32 1lkj h MET 72 Ca 0.27 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 1lkj h MET 72 Cb 0.09 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 1lkj h MET 72 CO -0.04 0.63 0.23 1.03 1.06 0.00 0.00 176.91 179.82 1lkj h SER 73 N 0.45 0.97 0.29 1.22 0.87 -0.79 0.80 113.55 117.36 1lkj h SER 73 Ca 0.08 -0.20 -0.11 0.00 -1.23 0.00 0.00 61.79 60.33 1lkj h SER 73 Cb 0.51 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1lkj h SER 73 CO 0.03 0.91 -0.45 0.03 -0.53 0.00 0.00 176.83 176.82 1lkj h ARG 74 N 0.98 0.20 0.00 2.24 3.08 -1.20 -3.04 114.38 116.64 1lkj h ARG 74 Ca 0.22 -0.10 -0.23 0.00 0.07 0.00 0.00 59.98 59.94 1lkj h ARG 74 Cb 0.27 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1lkj h ARG 74 CO -0.01 0.62 -1.32 1.96 -1.07 0.00 0.00 179.97 180.14 1lkj h GLN 75 N 0.17 0.00 -0.34 0.04 1.08 -1.01 -3.32 115.11 111.73 1lkj h GLN 75 Ca 0.01 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 1lkj h GLN 75 Cb 0.86 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.27 1lkj h GLN 75 CO 0.07 0.63 0.05 -0.07 -0.95 0.00 0.00 178.83 178.56 1lkj h LEU 76 N 0.00 0.47-10.74 1.46 3.38 0.71 -3.43 115.31 107.16 1lkj h LEU 76 Ca -0.15 -0.07 -0.46 0.00 0.09 0.00 0.00 57.88 57.29 1lkj h LEU 76 Cb 1.81 -0.12 0.10 0.00 0.09 0.00 0.00 40.66 42.55 1lkj h LEU 76 CO 0.09 0.50 0.18 -0.54 0.09 0.00 0.00 178.44 178.76 1lkj s LYS 77 N -5.07 1.42 0.62 1.13 3.01 -1.16 -5.09 119.74 114.61 1lkj s LYS 77 Ca -0.08 -0.96 -0.00 0.00 -1.01 0.00 0.00 55.97 53.92 1lkj s LYS 77 Cb 0.16 -2.22 0.07 0.00 -1.01 0.00 0.00 37.83 34.83 1lkj s LYS 77 CO 0.75 -1.68 0.87 0.45 0.51 0.00 0.00 175.35 176.25 1lkj s SER 78 N -4.78 4.92 -0.59 2.83 0.15 -1.26 -4.99 113.70 109.98 1lkj s SER 78 Ca 0.68 -0.07 0.01 0.00 0.70 0.00 0.00 55.95 57.27 1lkj s SER 78 Cb -0.05 -0.63 0.43 0.00 -1.71 0.00 0.00 66.02 64.07 1lkj s SER 78 CO 0.46 -1.43 1.75 -3.20 1.20 0.00 0.00 173.24 172.03 1lkj n ASN 79 N -2.57 6.75 -0.20 5.45 2.85 -1.26 -4.49 115.26 121.79 1lkj n ASN 79 Ca 0.10 -3.78 0.08 0.00 -0.11 0.00 0.00 54.58 50.87 1lkj n ASN 79 Cb 0.60 -0.80 -0.05 0.00 1.24 0.00 0.00 39.78 40.77 1lkj n ASN 79 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1lkj n ASP 80 N -0.76 1.26 0.29 1.20 5.75 -1.26 -4.39 116.55 118.64 1lkj n ASP 80 Ca 0.55 -1.13 0.18 0.00 -0.01 0.00 0.00 54.79 54.38 1lkj n ASP 80 Cb 0.66 0.74 0.99 0.00 -1.03 0.00 0.00 41.12 42.48 1lkj n ASP 80 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1lkj h SER 81 N 0.97 0.00 0.76 -1.12 4.64 -2.00 -2.80 113.55 113.99 1lkj h SER 81 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1lkj h SER 81 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1lkj h SER 81 CO 0.00 0.00 -0.46 -0.08 -0.87 0.00 0.00 176.83 175.42 1lkj h GLU 82 N 0.00 -1.10 -0.44 4.77 4.57 -1.93 0.50 114.58 120.95 1lkj h GLU 82 Ca 0.02 0.07 0.05 0.00 -1.18 0.00 0.00 59.36 58.33 1lkj h GLU 82 Cb 0.21 0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 1lkj h GLU 82 CO -0.00 -0.73 0.30 1.96 -1.18 0.00 0.00 179.01 179.36 1lkj h GLN 83 N -1.14 0.37 -0.35 1.92 4.20 -1.82 -1.75 115.11 116.54 1lkj h GLN 83 Ca -0.10 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.50 1lkj h GLN 83 Cb 0.91 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1lkj h GLN 83 CO 0.11 0.24 -0.13 0.93 -0.67 0.00 0.00 178.83 179.31 1lkj h GLU 84 N 0.38 0.71 -0.56 1.46 4.39 -1.38 -2.38 114.58 117.19 1lkj h GLU 84 Ca 0.19 -0.29 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 1lkj h GLU 84 Cb 0.28 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1lkj h GLU 84 CO -0.05 0.89 0.19 -0.07 -1.16 0.00 0.00 179.01 178.81 1lkj h LEU 85 N 0.50 0.81 -1.44 1.33 3.38 -0.07 -2.44 115.31 117.37 1lkj h LEU 85 Ca 0.08 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1lkj h LEU 85 Cb 0.66 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1lkj h LEU 85 CO 0.04 0.79 0.08 -0.07 0.09 0.00 0.00 178.44 179.38 1lkj h LEU 86 N 0.78 0.40 -0.05 1.67 3.38 -1.31 -1.72 115.31 118.46 1lkj h LEU 86 Ca 0.18 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1lkj h LEU 86 Cb 0.27 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1lkj h LEU 86 CO -0.01 0.41 0.01 -0.08 0.09 0.00 0.00 178.44 178.86 1lkj h GLU 87 N 0.44 0.09 -0.57 1.13 4.22 -0.96 -0.62 114.58 118.31 1lkj h GLU 87 Ca 0.11 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.50 1lkj h GLU 87 Cb 0.17 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1lkj h GLU 87 CO -0.00 0.31 0.25 0.00 -2.18 0.00 0.00 179.01 177.38 1lkj h ALA 88 N 0.77 0.74 -0.28 2.92 0.00 -1.21 -2.42 119.26 119.78 1lkj h ALA 88 Ca 0.02 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1lkj h ALA 88 Cb 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1lkj h ALA 88 CO 0.00 0.33 -0.06 0.74 0.00 0.00 0.00 179.25 180.27 1lkj h PHE 89 N 0.78 0.46 -0.50 0.00 0.04 -1.24 -2.56 116.94 113.92 1lkj h PHE 89 Ca 0.19 -0.05 -0.04 0.00 2.80 0.00 0.00 57.97 60.87 1lkj h PHE 89 Cb 0.17 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 1lkj h PHE 89 CO 0.00 0.50 0.14 -0.22 -0.60 0.00 0.00 178.31 178.13 1lkj h LYS 90 N 0.42 0.78 -0.59 1.51 3.11 -0.63 0.74 116.57 121.90 1lkj h LYS 90 Ca 0.09 -0.18 -0.06 0.00 -2.81 0.00 0.00 60.65 57.69 1lkj h LYS 90 Cb 0.37 -0.11 -0.03 0.00 -1.00 0.00 0.00 32.23 31.46 1lkj h LYS 90 CO 0.02 0.74 0.13 0.28 -2.81 0.00 0.00 179.45 177.81 1lkj h VAL 91 N 0.67 1.24 0.00 2.00 2.07 -1.16 -2.16 116.25 118.91 1lkj h VAL 91 Ca 0.16 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1lkj h VAL 91 Cb 0.30 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1lkj h VAL 91 CO -0.00 0.33 0.00 0.49 0.02 0.00 0.00 177.57 178.41 1lkj n PHE 92 N -4.25 0.96 -1.69 1.57 3.01 -0.99 -4.84 117.46 111.23 1lkj n PHE 92 Ca 0.04 0.28 -0.44 0.00 1.01 0.00 0.00 57.45 58.34 1lkj n PHE 92 Cb 0.24 -0.96 -0.04 0.00 -0.01 0.00 0.00 39.48 38.72 1lkj n PHE 92 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1lkj n ASP 93 N -2.29 3.49 -1.33 4.37 2.03 0.23 -4.86 116.55 118.20 1lkj n ASP 93 Ca 0.06 1.07 -0.03 0.00 0.52 0.00 0.00 54.79 56.40 1lkj n ASP 93 Cb 0.43 -1.49 0.23 0.00 -0.72 0.00 0.00 41.12 39.57 1lkj n ASP 93 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1lkj n LYS 94 N 3.68 2.45 0.12 -0.67 4.76 -1.23 -4.69 118.16 122.58 1lkj n LYS 94 Ca 0.17 -3.06 0.00 0.00 -2.87 0.00 0.00 58.31 52.55 1lkj n LYS 94 Cb 0.31 -1.92 0.00 0.00 -1.84 0.00 0.00 35.03 31.58 1lkj n LYS 94 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1lkj n ASN 95 N -0.83 0.18 0.00 4.39 4.13 -1.26 -5.02 115.26 116.85 1lkj n ASN 95 Ca 0.34 0.40 0.00 0.00 1.68 0.00 0.00 54.58 57.00 1lkj n ASN 95 Cb 1.12 0.21 0.00 0.00 -1.54 0.00 0.00 39.78 39.57 1lkj n ASN 95 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1lkj n GLY 96 N 2.07 0.94 0.13 7.41 0.00 -1.26 -4.97 105.19 109.50 1lkj n GLY 96 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1lkj n GLY 96 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1lkj n ASP 97 N 0.00 1.68 0.00 1.61 5.75 -1.26 -5.02 116.55 119.31 1lkj n ASP 97 Ca 0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 1lkj n ASP 97 Cb 0.00 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 1lkj n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lkj n GLY 98 N 2.17 -0.22 2.79 6.12 0.00 -1.26 -4.95 105.19 109.85 1lkj n GLY 98 Ca -0.44 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 1.70 0.18 0.99 1.43 -1.26 -2.48 118.68 119.25 1lkj s LEU 99 Ca 0.00 -1.05 0.06 0.00 -1.03 0.00 0.00 54.13 52.12 1lkj s LEU 99 Cb 0.00 -0.79 -0.05 0.00 0.03 0.00 0.00 46.19 45.39 1lkj s LEU 99 CO 0.00 -0.31 -0.12 0.27 0.23 0.00 0.00 176.35 176.42 1lkj s ILE 100 N 1.70 1.50 0.63 -0.59 -4.36 -0.84 -3.56 121.20 115.69 1lkj s ILE 100 Ca -0.00 -2.15 -0.11 0.00 -0.26 0.00 0.00 60.65 58.13 1lkj s ILE 100 Cb -0.18 -1.98 -0.04 0.00 1.25 0.00 0.00 42.46 41.52 1lkj s ILE 100 CO -0.10 -0.65 1.03 -0.55 0.24 0.00 0.00 174.94 174.91 1lkj s SER 101 N -3.26 6.18 0.58 4.36 0.15 -1.26 -1.31 113.70 119.14 1lkj s SER 101 Ca 0.20 1.41 0.29 0.00 0.70 0.00 0.00 55.95 58.55 1lkj s SER 101 Cb 0.01 -2.45 1.48 0.00 -1.71 0.00 0.00 66.02 63.35 1lkj s SER 101 CO 0.04 -0.90 1.92 0.00 1.20 0.00 0.00 173.24 175.50 1lkj h ALA 102 N -0.34 2.25 0.05 5.45 0.00 -1.95 -1.20 119.26 123.53 1lkj h ALA 102 Ca -0.44 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1lkj h ALA 102 Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1lkj h ALA 102 CO 0.62 -0.72 -0.02 0.00 0.00 0.00 0.00 179.25 179.12 1lkj h ALA 103 N 1.52 -0.07 -0.22 0.00 0.00 -1.99 -1.61 119.26 116.89 1lkj h ALA 103 Ca 0.23 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1lkj h ALA 103 Cb 1.17 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1lkj h ALA 103 CO -0.00 -0.36 -0.17 0.93 0.00 0.00 0.00 179.25 179.65 1lkj h GLU 104 N -0.43 0.37 -0.12 0.00 5.08 -1.61 -2.35 114.58 115.52 1lkj h GLU 104 Ca -0.01 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.14 1lkj h GLU 104 Cb 0.38 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1lkj h GLU 104 CO 0.01 0.53 -0.40 1.25 -1.00 0.00 0.00 179.01 179.40 1lkj h LEU 105 N 0.34 0.27 -0.13 1.33 5.85 -1.27 -2.30 115.31 119.41 1lkj h LEU 105 Ca 0.06 -0.11 -0.17 0.00 0.84 0.00 0.00 57.88 58.50 1lkj h LEU 105 Cb 0.50 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.46 1lkj h LEU 105 CO 0.03 0.65 -0.59 0.50 -0.34 0.00 0.00 178.44 178.69 1lkj h LYS 106 N 0.22 0.64 0.00 1.25 3.64 -0.84 -1.83 116.57 119.64 1lkj h LYS 106 Ca 0.02 -0.51 -0.06 0.00 -1.27 0.00 0.00 60.65 58.83 1lkj h LYS 106 Cb 0.81 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 1lkj h LYS 106 CO 0.06 1.13 -0.30 1.25 -2.27 0.00 0.00 179.45 179.32 1lkj h HIS 107 N 0.29 0.00 0.14 1.91 2.76 -1.36 -2.40 115.15 116.50 1lkj h HIS 107 Ca -0.04 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.92 1lkj h HIS 107 Cb 1.23 0.00 0.02 0.00 1.55 0.00 0.00 27.41 30.21 1lkj h HIS 107 CO 0.10 0.30 -0.92 0.28 -1.30 0.00 0.00 177.93 176.39 1lkj h VAL 108 N 0.00 1.45 0.00 5.26 2.07 -1.37 -2.86 116.25 120.80 1lkj h VAL 108 Ca -0.00 -2.49 -0.02 0.00 0.82 0.00 0.00 66.70 65.01 1lkj h VAL 108 Cb 0.55 3.05 -0.00 0.00 -1.52 0.00 0.00 31.29 33.37 1lkj h VAL 108 CO 0.04 0.72 -0.10 -0.07 0.02 0.00 0.00 177.57 178.18 1lkj h LEU 109 N -0.20 0.00 -0.08 2.57 3.38 -1.21 -1.07 115.31 118.70 1lkj h LEU 109 Ca -0.15 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.63 1lkj h LEU 109 Cb 1.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.42 1lkj h LEU 109 CO 0.17 0.10 -0.90 0.74 0.09 0.00 0.00 178.44 178.64 1lkj h THR 110 N 0.00 1.58 0.07 0.22 2.02 -1.48 -3.24 112.91 112.09 1lkj h THR 110 Ca -0.00 -3.14 -0.27 0.00 0.77 0.00 0.00 66.41 63.77 1lkj h THR 110 Cb 0.18 2.72 0.01 0.00 -1.74 0.00 0.00 68.15 69.33 1lkj h THR 110 CO 0.01 0.88 -1.13 0.28 0.37 0.00 0.00 175.52 175.93 1lkj h SER 111 N 0.00 0.67 0.07 4.18 0.02 -1.10 -3.19 113.55 114.20 1lkj h SER 111 Ca -0.01 -0.60 -0.01 0.00 -0.84 0.00 0.00 61.79 60.33 1lkj h SER 111 Cb 1.65 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.98 1lkj h SER 111 CO 0.12 1.42 -0.04 0.40 -1.14 0.00 0.00 176.83 177.59 1lkj h ILE 112 N 0.23 0.74 0.00 3.27 2.04 -1.30 -3.46 117.51 119.03 1lkj h ILE 112 Ca -0.14 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1lkj h ILE 112 Cb 1.80 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 1lkj h ILE 112 CO 0.20 0.04 0.00 0.61 0.00 0.00 0.00 178.15 179.00 1lkj n GLY 113 N -1.27 0.87 0.07 5.37 0.00 -1.21 -4.94 105.19 104.09 1lkj n GLY 113 Ca -0.03 -0.61 0.10 0.00 0.00 0.00 0.00 46.02 45.48 1lkj n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1lkj n GLU 114 N -1.19 0.11 -3.70 1.61 -0.58 -1.23 -4.88 120.64 110.78 1lkj n GLU 114 Ca 0.00 0.35 -0.23 0.00 -0.42 0.00 0.00 57.16 56.86 1lkj n GLU 114 Cb 0.30 -1.71 0.04 0.00 -0.57 0.00 0.00 31.44 29.50 1lkj n GLU 114 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1lkj n LYS 115 N -1.91 -5.44 -3.52 3.49 4.81 -1.26 -4.94 118.16 109.39 1lkj n LYS 115 Ca 0.03 0.66 -0.40 0.00 -0.87 0.00 0.00 58.31 57.72 1lkj n LYS 115 Cb 0.20 -5.37 -0.10 0.00 0.02 0.00 0.00 35.03 29.78 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 -6.79 4.50 0.98 3.14 1.43 -1.26 -5.07 118.68 115.61 1lkj s LEU 116 Ca 0.17 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 1lkj s LEU 116 Cb -0.08 -2.16 0.18 0.00 0.03 0.00 0.00 46.19 44.16 1lkj s LEU 116 CO 0.80 -0.24 1.11 0.42 0.23 0.00 0.00 176.35 178.67 1lkj s THR 117 N 1.76 2.12 0.41 5.49 -4.23 -1.26 -4.78 115.64 115.14 1lkj s THR 117 Ca 0.07 0.04 0.08 0.00 -1.18 0.00 0.00 61.69 60.70 1lkj s THR 117 Cb -0.17 -2.10 0.23 0.00 1.34 0.00 0.00 72.50 71.80 1lkj s THR 117 CO 0.11 -0.05 2.02 -0.78 -0.54 0.00 0.00 174.62 175.37 1lkj h ASP 118 N -2.06 0.38 -0.51 3.99 3.58 -2.00 -2.02 116.42 117.78 1lkj h ASP 118 Ca -0.49 -0.03 -0.05 0.00 0.42 0.00 0.00 57.03 56.88 1lkj h ASP 118 Cb 1.29 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 42.21 1lkj h ASP 118 CO 0.45 0.35 0.15 0.00 -2.88 0.00 0.00 179.24 177.30 1lkj h ALA 119 N 1.72 1.20 0.16 -0.78 0.00 -1.99 -0.98 119.26 118.59 1lkj h ALA 119 Ca 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1lkj h ALA 119 Cb 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1lkj h ALA 119 CO -0.01 0.55 -0.08 0.93 0.00 0.00 0.00 179.25 180.64 1lkj h GLU 120 N 0.83 -0.21 0.00 0.00 4.39 -1.71 -2.50 114.58 115.38 1lkj h GLU 120 Ca 0.18 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 1lkj h GLU 120 Cb 0.28 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1lkj h GLU 120 CO -0.00 0.11 -0.07 0.28 -1.16 0.00 0.00 179.01 178.17 1lkj h VAL 121 N -0.54 0.97 -0.43 3.13 2.07 -1.41 -2.05 116.25 117.99 1lkj h VAL 121 Ca -0.02 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 1lkj h VAL 121 Cb 0.41 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1lkj h VAL 121 CO 0.04 0.07 0.02 -0.78 0.02 0.00 0.00 177.57 176.93 1lkj h ASP 122 N 0.00 0.73 0.35 0.57 3.58 -0.96 0.24 116.42 120.93 1lkj h ASP 122 Ca -0.00 -0.29 -0.12 0.00 0.42 0.00 0.00 57.03 57.04 1lkj h ASP 122 Cb 0.12 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 1lkj h ASP 122 CO 0.01 0.84 -0.50 -0.78 -2.88 0.00 0.00 179.24 175.93 1lkj h ASP 123 N 0.59 0.18 1.03 2.28 1.82 -0.96 -2.51 116.42 118.86 1lkj h ASP 123 Ca 0.12 -0.09 -0.20 0.00 -0.39 0.00 0.00 57.03 56.47 1lkj h ASP 123 Cb 0.46 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.39 1lkj h ASP 123 CO 0.02 0.65 -0.97 -0.03 -1.61 0.00 0.00 179.24 177.30 1lkj h MET 124 N 0.14 0.00 -0.07 0.28 4.05 -1.16 -3.25 114.93 114.92 1lkj h MET 124 Ca 0.00 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.26 1lkj h MET 124 Cb 0.93 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.72 1lkj h MET 124 CO 0.07 0.97 -0.67 -0.07 0.23 0.00 0.00 176.91 177.44 1lkj h LEU 125 N 0.00 0.34 -0.82 3.39 3.38 -0.37 -1.90 115.31 119.33 1lkj h LEU 125 Ca -0.01 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 1lkj h LEU 125 Cb 1.74 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.38 1lkj h LEU 125 CO 0.13 0.91 -0.09 -0.09 0.09 0.00 0.00 178.44 179.39 1lkj h ARG 126 N 0.21 0.80 0.00 1.13 2.43 -1.50 0.86 114.38 118.30 1lkj h ARG 126 Ca -0.02 -0.26 -0.21 0.00 -0.81 0.00 0.00 59.98 58.69 1lkj h ARG 126 Cb 1.21 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 1lkj h ARG 126 CO 0.11 0.86 -1.00 1.49 -1.51 0.00 0.00 179.97 179.92 1lkj h GLU 127 N 0.73 0.00 0.00 0.20 4.81 -1.58 -3.38 114.58 115.36 1lkj h GLU 127 Ca 0.13 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1lkj h GLU 127 Cb 0.57 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1lkj h GLU 127 CO 0.03 0.97 -0.71 0.28 -0.73 0.00 0.00 179.01 178.85 1lkj n VAL 128 N -3.34 1.45 -1.77 0.32 0.31 -0.72 -4.91 118.33 109.67 1lkj n VAL 128 Ca -0.00 0.15 -0.40 0.00 -0.01 0.00 0.00 64.34 64.08 1lkj n VAL 128 Cb 0.93 -2.31 0.02 0.00 -0.91 0.00 0.00 33.84 31.58 1lkj n VAL 128 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1lkj n SER 129 N -4.57 3.39 -0.03 4.52 2.88 0.30 -4.93 113.62 115.18 1lkj n SER 129 Ca -0.14 1.13 -0.06 0.00 -1.33 0.00 0.00 58.87 58.47 1lkj n SER 129 Cb 0.37 -1.61 -0.03 0.00 -0.75 0.00 0.00 64.21 62.19 1lkj n SER 129 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1lkj n ASP 130 N -0.18 2.17 0.00 -3.46 -0.08 -1.26 -4.72 116.55 109.02 1lkj n ASP 130 Ca 0.05 0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 1lkj n ASP 130 Cb 0.41 -0.14 0.00 0.00 2.34 0.00 0.00 41.12 43.73 1lkj n ASP 130 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1lkj n GLY 131 N 2.93 0.51 0.34 0.27 0.00 -1.26 -4.98 105.19 103.00 1lkj n GLY 131 Ca -0.12 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.07 1lkj n GLY 131 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1lkj h SER 132 N 0.25 0.00 -0.01 1.61 0.02 -2.00 -3.45 113.55 109.97 1lkj h SER 132 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1lkj h SER 132 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1lkj h SER 132 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1lkj n GLY 133 N -1.48 1.77 3.39 -3.77 0.00 -1.26 -5.10 105.19 98.74 1lkj n GLY 133 Ca 0.03 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.16 0.49 0.06 1.61 2.02 -1.26 -4.70 118.70 115.77 1lkj s GLU 134 Ca 0.00 0.95 0.06 0.00 0.02 0.00 0.00 54.97 56.00 1lkj s GLU 134 Cb 0.00 0.06 -0.04 0.00 0.10 0.00 0.00 34.13 34.25 1lkj s GLU 134 CO 0.00 -0.16 -0.10 0.42 0.02 0.00 0.00 175.26 175.44 1lkj s ILE 135 N 1.56 3.36 -0.23 -1.63 1.01 -0.43 -4.77 121.20 120.07 1lkj s ILE 135 Ca -0.09 -1.10 -0.16 0.00 0.00 0.00 0.00 60.65 59.29 1lkj s ILE 135 Cb -0.08 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 1lkj s ILE 135 CO -0.15 0.24 0.43 0.20 0.00 0.00 0.00 174.94 175.66 1lkj s ASN 136 N -1.84 6.40 0.63 3.58 -0.87 -1.26 -1.98 114.94 119.61 1lkj s ASN 136 Ca 0.19 0.48 0.40 0.00 -1.57 0.00 0.00 52.86 52.35 1lkj s ASN 136 Cb -0.11 -2.24 2.16 0.00 -0.02 0.00 0.00 41.25 41.04 1lkj s ASN 136 CO 0.10 -0.17 2.30 0.16 -2.57 0.00 0.00 177.10 176.93 1lkj h ILE 137 N 5.22 0.15 0.47 0.60 -0.00 -1.85 -2.81 117.51 119.29 1lkj h ILE 137 Ca -0.33 -0.08 -0.02 0.00 -0.00 0.00 0.00 64.86 64.43 1lkj h ILE 137 Cb 1.16 1.07 0.00 0.00 -0.00 0.00 0.00 36.82 39.05 1lkj h ILE 137 CO 0.70 0.01 -0.23 -0.61 -0.00 0.00 0.00 178.15 178.02 1lkj h GLN 138 N 0.00 -0.61 -0.47 0.16 4.15 -1.92 0.51 115.11 116.93 1lkj h GLN 138 Ca -0.00 0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.41 1lkj h GLN 138 Cb 0.07 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 1lkj h GLN 138 CO 0.00 -0.40 0.09 1.96 -1.93 0.00 0.00 178.83 178.54 1lkj h GLN 139 N -0.64 0.72 -0.34 1.69 4.20 -1.91 -2.27 115.11 116.55 1lkj h GLN 139 Ca -0.06 -0.15 -0.17 0.00 0.06 0.00 0.00 58.65 58.33 1lkj h GLN 139 Cb 0.49 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1lkj h GLN 139 CO 0.11 0.67 -0.46 0.74 -0.67 0.00 0.00 178.83 179.22 1lkj h PHE 140 N 0.69 1.12 -0.26 2.96 0.04 -1.38 -1.55 116.94 118.55 1lkj h PHE 140 Ca 0.15 -0.36 -0.04 0.00 2.80 0.00 0.00 57.97 60.51 1lkj h PHE 140 Cb 0.30 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 1lkj h PHE 140 CO 0.01 1.20 -0.03 0.00 -0.60 0.00 0.00 178.31 178.89 1lkj h ALA 141 N 0.73 1.47 0.05 2.45 0.00 0.32 -2.49 119.26 121.79 1lkj h ALA 141 Ca 0.04 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.54 1lkj h ALA 141 Cb 1.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1lkj h ALA 141 CO 0.11 0.38 -1.08 0.00 0.00 0.00 0.00 179.25 178.66 1lkj h ALA 142 N 1.60 0.27 -0.36 0.00 0.00 -1.29 -2.88 119.26 116.61 1lkj h ALA 142 Ca 0.08 -0.88 -0.07 0.00 0.00 0.00 0.00 54.91 54.04 1lkj h ALA 142 Cb 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1lkj h ALA 142 CO 0.01 1.11 -0.08 -0.07 0.00 0.00 0.00 179.25 180.22 1lkj h LEU 143 N 0.04 0.58 -0.04 0.00 3.38 -0.86 -2.82 115.31 115.59 1lkj h LEU 143 Ca -0.06 -0.14 -0.22 0.00 0.09 0.00 0.00 57.88 57.55 1lkj h LEU 143 Cb 1.81 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.39 1lkj h LEU 143 CO 0.16 0.70 -1.01 -0.07 0.09 0.00 0.00 178.44 178.31 1lkj h LEU 144 N 0.55 0.08 -5.59 1.67 3.38 -1.51 -3.35 115.31 110.55 1lkj h LEU 144 Ca 0.11 -0.08 -0.72 0.00 0.09 0.00 0.00 57.88 57.27 1lkj h LEU 144 Cb 0.47 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 1lkj h LEU 144 CO 0.03 1.04 2.88 -0.24 0.09 0.00 0.00 178.44 182.23 1lkj n SER 145 N -3.42 7.47 0.00 -0.43 2.88 -1.06 -5.08 113.62 113.98 1lkj n SER 145 Ca -0.02 -2.93 0.00 0.00 -1.33 0.00 0.00 58.87 54.59 1lkj n SER 145 Cb 0.93 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 1lkj n SER 145 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10