#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lk5 s ASN 2 N 0.00 2.28 0.22 7.83 4.22 -1.26 -4.60 114.94 123.63 1lk5 s ASN 2 Ca 0.00 0.70 -0.08 0.00 -2.14 0.00 0.00 52.86 51.35 1lk5 s ASN 2 Cb 0.00 -1.04 0.26 0.00 1.28 0.00 0.00 41.25 41.75 1lk5 s ASN 2 CO 0.00 -3.29 1.84 0.58 -2.04 0.00 0.00 177.10 174.19 1lk5 h VAL 3 N -2.01 1.05 -0.56 3.54 2.07 -1.99 -1.48 116.25 116.87 1lk5 h VAL 3 Ca -0.48 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 66.64 1lk5 h VAL 3 Cb 1.30 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1lk5 h VAL 3 CO 0.45 0.16 -0.04 -0.33 0.02 0.00 0.00 177.57 177.83 1lk5 h GLU 4 N 0.88 1.02 0.00 1.57 4.39 -2.00 -2.10 114.58 118.33 1lk5 h GLU 4 Ca 0.33 -0.35 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 1lk5 h GLU 4 Cb 0.11 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1lk5 h GLU 4 CO -0.15 1.03 -0.30 0.93 -1.16 0.00 0.00 179.01 179.36 1lk5 h GLU 5 N 0.90 0.00 -0.44 2.33 5.08 -1.86 -1.21 114.58 119.38 1lk5 h GLU 5 Ca 0.15 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.38 1lk5 h GLU 5 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1lk5 h GLU 5 CO 0.04 0.30 -0.26 0.52 -1.00 0.00 0.00 179.01 178.61 1lk5 h MET 6 N 0.00 0.95 0.11 2.33 2.86 -0.70 -0.82 114.93 119.66 1lk5 h MET 6 Ca -0.00 -0.42 -0.01 0.00 -2.06 0.00 0.00 59.70 57.21 1lk5 h MET 6 Cb 0.57 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1lk5 h MET 6 CO 0.04 1.09 -0.05 0.87 1.06 0.00 0.00 176.91 179.91 1lk5 h LYS 7 N 0.81 -0.14 -0.64 1.72 1.57 -0.98 -2.94 116.57 115.96 1lk5 h LYS 7 Ca 0.10 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1lk5 h LYS 7 Cb 0.83 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.12 1lk5 h LYS 7 CO 0.07 0.12 0.36 -0.22 -0.57 0.00 0.00 179.45 179.21 1lk5 h LYS 8 N -0.40 0.66 -0.10 3.15 3.64 -1.13 -1.80 116.57 120.58 1lk5 h LYS 8 Ca -0.02 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1lk5 h LYS 8 Cb 0.33 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1lk5 h LYS 8 CO 0.03 0.43 -0.14 0.97 -2.27 0.00 0.00 179.45 178.47 1lk5 h ILE 9 N 0.68 1.16 -0.35 2.00 2.10 -1.15 -0.98 117.51 120.97 1lk5 h ILE 9 Ca 0.28 -0.70 -0.08 0.00 1.08 0.00 0.00 64.86 65.44 1lk5 h ILE 9 Cb 0.15 1.23 -0.01 0.00 -1.09 0.00 0.00 36.82 37.11 1lk5 h ILE 9 CO -0.17 0.21 -0.11 0.00 -1.08 0.00 0.00 178.15 177.01 1lk5 h ALA 10 N 1.72 0.48 -0.79 0.18 0.00 -1.16 -2.62 119.26 117.06 1lk5 h ALA 10 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1lk5 h ALA 10 Cb 0.34 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1lk5 h ALA 10 CO 0.02 0.36 0.50 0.00 0.00 0.00 0.00 179.25 180.13 1lk5 h ALA 11 N 0.80 1.01 -0.68 0.00 0.00 -0.76 -2.26 119.26 117.37 1lk5 h ALA 11 Ca 0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1lk5 h ALA 11 Cb 0.63 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1lk5 h ALA 11 CO 0.04 0.45 0.25 -0.22 0.00 0.00 0.00 179.25 179.77 1lk5 h LYS 12 N 1.08 1.01 -0.33 0.00 3.64 -1.14 -2.48 116.57 118.36 1lk5 h LYS 12 Ca 0.29 -0.18 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 1lk5 h LYS 12 Cb -0.08 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 1lk5 h LYS 12 CO -0.06 0.84 -0.19 1.49 -2.27 0.00 0.00 179.45 179.26 1lk5 h GLU 13 N 0.99 0.62 -0.30 1.90 4.57 -1.06 -2.92 114.58 118.38 1lk5 h GLU 13 Ca 0.23 -0.22 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1lk5 h GLU 13 Cb 0.22 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 1lk5 h GLU 13 CO -0.02 0.77 0.07 0.00 -1.18 0.00 0.00 179.01 178.65 1lk5 h ALA 14 N 1.24 1.56 -0.38 2.92 0.00 -0.95 -2.44 119.26 121.21 1lk5 h ALA 14 Ca 0.09 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.97 1lk5 h ALA 14 Cb 0.64 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1lk5 h ALA 14 CO 0.05 0.33 0.27 -0.07 0.00 0.00 0.00 179.25 179.83 1lk5 h LEU 15 N 0.43 0.06 -2.72 0.00 3.38 -1.35 -1.01 115.31 114.10 1lk5 h LEU 15 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1lk5 h LEU 15 Cb 0.18 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1lk5 h LEU 15 CO -0.00 0.04 -0.01 0.11 0.09 0.00 0.00 178.44 178.67 1lk5 h LYS 16 N 0.07 0.00 -0.01 1.13 1.57 -1.57 -0.63 116.57 117.14 1lk5 h LYS 16 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1lk5 h LYS 16 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1lk5 h LYS 16 CO -0.01 0.01 -0.16 1.19 -0.57 0.00 0.00 179.45 179.90 1lk5 n PHE 17 N -3.38 0.00 -3.49 -1.35 3.01 -0.38 -4.87 117.46 106.99 1lk5 n PHE 17 Ca -0.03 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.06 1lk5 n PHE 17 Cb 0.09 -0.13 -0.07 0.00 -0.01 0.00 0.00 39.48 39.35 1lk5 n PHE 17 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1lk5 s ILE 18 N -2.43 5.27 0.34 4.37 -1.09 -0.24 -5.03 121.20 122.39 1lk5 s ILE 18 Ca 0.28 0.57 0.09 0.00 -2.23 0.00 0.00 60.65 59.37 1lk5 s ILE 18 Cb 0.20 -3.66 -0.06 0.00 -1.58 0.00 0.00 42.46 37.36 1lk5 s ILE 18 CO 0.48 0.34 -0.09 -1.61 -1.23 0.00 0.00 174.94 172.83 1lk5 s GLU 19 N 0.80 1.80 0.60 2.79 2.02 -1.26 -5.05 118.70 120.40 1lk5 s GLU 19 Ca 0.17 -1.93 -0.19 0.00 0.02 0.00 0.00 54.97 53.04 1lk5 s GLU 19 Cb -0.14 -1.65 -0.04 0.00 0.10 0.00 0.00 34.13 32.40 1lk5 s GLU 19 CO 0.05 0.12 1.05 -0.25 0.02 0.00 0.00 175.26 176.25 1lk5 n ASP 20 N -0.78 1.12 0.00 -0.19 8.00 -1.26 -2.91 116.55 120.52 1lk5 n ASP 20 Ca -0.05 0.82 0.00 0.00 0.71 0.00 0.00 54.79 56.27 1lk5 n ASP 20 Cb 0.64 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.31 1lk5 n ASP 20 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1lk5 n ASP 21 N -0.97 -2.78 -4.85 -2.24 8.00 -0.87 -5.00 116.55 107.85 1lk5 n ASP 21 Ca 0.14 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.32 1lk5 n ASP 21 Cb 0.47 -1.29 -0.04 0.00 -0.02 0.00 0.00 41.12 40.24 1lk5 n ASP 21 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1lk5 s MET 22 N -0.56 3.94 -0.23 -1.24 -1.94 -1.15 -4.91 119.30 113.22 1lk5 s MET 22 Ca 0.00 0.84 -0.07 0.00 -1.71 0.00 0.00 55.69 54.75 1lk5 s MET 22 Cb 0.00 -2.22 -0.03 0.00 2.01 0.00 0.00 34.83 34.59 1lk5 s MET 22 CO 0.00 -0.17 0.06 0.08 -0.01 0.00 0.00 175.02 174.99 1lk5 s VAL 23 N -2.48 4.40 -0.17 -6.03 1.01 -1.26 -2.26 120.40 113.61 1lk5 s VAL 23 Ca 0.57 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.41 1lk5 s VAL 23 Cb -0.10 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.26 1lk5 s VAL 23 CO 0.29 0.37 -0.18 -0.63 0.00 0.00 0.00 175.10 174.95 1lk5 s ILE 24 N 1.27 2.36 0.04 2.22 1.01 0.34 -1.03 121.20 127.42 1lk5 s ILE 24 Ca 0.05 -0.86 -0.31 0.00 0.00 0.00 0.00 60.65 59.53 1lk5 s ILE 24 Cb -0.15 -1.99 -0.07 0.00 0.01 0.00 0.00 42.46 40.27 1lk5 s ILE 24 CO 0.03 0.52 1.47 -0.83 0.00 0.00 0.00 174.94 176.14 1lk5 s GLY 25 N 1.05 1.78 -0.40 6.18 0.00 0.54 -0.70 107.32 115.77 1lk5 s GLY 25 Ca -0.01 1.02 -0.11 0.00 0.00 0.00 0.00 44.72 45.62 1lk5 s GLY 25 CO -0.05 2.60 0.24 1.08 0.00 0.00 0.00 173.10 176.96 1lk5 s LEU 26 N 2.25 4.95 1.24 0.66 1.43 0.01 -1.66 118.68 127.57 1lk5 s LEU 26 Ca 0.67 -1.21 -0.19 0.00 -1.03 0.00 0.00 54.13 52.37 1lk5 s LEU 26 Cb -0.35 -2.02 0.30 0.00 0.03 0.00 0.00 46.19 44.15 1lk5 s LEU 26 CO 0.29 -0.46 1.05 -0.83 0.23 0.00 0.00 176.35 176.62 1lk5 s GLY 27 N 1.84 1.53 0.04 -3.19 0.00 0.76 -1.42 107.32 106.88 1lk5 s GLY 27 Ca 0.02 -0.77 0.07 0.00 0.00 0.00 0.00 44.72 44.05 1lk5 s GLY 27 CO 0.05 0.11 -0.17 -1.59 0.00 0.00 0.00 173.10 171.50 1lk5 s THR 28 N -2.73 2.87 0.00 0.90 2.01 -1.26 -4.61 115.64 112.81 1lk5 s THR 28 Ca 0.69 -1.18 0.00 0.00 0.31 0.00 0.00 61.69 61.51 1lk5 s THR 28 Cb -0.13 -2.22 0.00 0.00 0.01 0.00 0.00 72.50 70.16 1lk5 s THR 28 CO 0.58 0.32 0.00 0.61 -0.69 0.00 0.00 174.62 175.44 1lk5 n GLY 29 N 1.48 1.49 0.27 4.40 0.00 -1.26 -4.25 105.19 107.33 1lk5 n GLY 29 Ca -0.16 -2.11 -0.07 0.00 0.00 0.00 0.00 46.02 43.68 1lk5 n GLY 29 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1lk5 h SER 30 N 0.00 0.80 -0.14 1.61 4.64 -1.99 -1.01 113.55 117.46 1lk5 h SER 30 Ca 0.00 -0.26 -0.02 0.00 -0.47 0.00 0.00 61.79 61.05 1lk5 h SER 30 Cb 0.00 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 1lk5 h SER 30 CO 0.00 0.95 0.02 0.74 -0.87 0.00 0.00 176.83 177.67 1lk5 h THR 31 N 0.71 1.22 0.00 2.95 2.02 -1.92 -2.88 112.91 115.02 1lk5 h THR 31 Ca 0.11 -0.71 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 1lk5 h THR 31 Cb 0.64 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1lk5 h THR 31 CO 0.05 0.21 -0.17 0.74 0.37 0.00 0.00 175.52 176.72 1lk5 h THR 32 N 0.00 0.45 -0.65 3.16 2.02 -1.81 -2.70 112.91 113.38 1lk5 h THR 32 Ca 0.04 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 1lk5 h THR 32 Cb 0.30 1.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 1lk5 h THR 32 CO 0.00 0.17 0.38 0.00 0.37 0.00 0.00 175.52 176.44 1lk5 h ALA 33 N 1.83 1.44 -0.47 6.16 0.00 -0.96 -0.24 119.26 127.03 1lk5 h ALA 33 Ca -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1lk5 h ALA 33 Cb 0.66 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1lk5 h ALA 33 CO 0.02 0.48 0.29 1.88 0.00 0.00 0.00 179.25 181.92 1lk5 h TYR 34 N 0.90 0.62 -0.53 0.00 -1.99 -1.44 -1.23 116.97 113.30 1lk5 h TYR 34 Ca 0.23 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.99 1lk5 h TYR 34 Cb -0.01 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.48 1lk5 h TYR 34 CO 0.00 0.42 0.32 0.35 -0.00 0.00 0.00 178.16 179.26 1lk5 h PHE 35 N 0.63 0.60 -0.53 4.88 3.57 -1.29 0.12 116.94 124.92 1lk5 h PHE 35 Ca 0.17 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1lk5 h PHE 35 Cb -0.02 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.50 1lk5 h PHE 35 CO -0.03 0.35 0.32 0.82 -2.23 0.00 0.00 178.31 177.54 1lk5 h ILE 36 N 0.64 1.16 -0.36 1.41 2.04 -0.73 0.22 117.51 121.88 1lk5 h ILE 36 Ca 0.21 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1lk5 h ILE 36 Cb 0.02 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1lk5 h ILE 36 CO -0.09 0.16 0.11 0.11 0.00 0.00 0.00 178.15 178.43 1lk5 h LYS 37 N 0.71 0.56 -0.52 2.37 1.57 -0.92 -0.49 116.57 119.85 1lk5 h LYS 37 Ca 0.19 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1lk5 h LYS 37 Cb -0.02 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1lk5 h LYS 37 CO -0.04 0.59 0.11 -0.07 -0.57 0.00 0.00 179.45 179.47 1lk5 h LEU 38 N 0.43 0.80 -0.56 2.94 3.38 -0.62 -1.55 115.31 120.12 1lk5 h LEU 38 Ca 0.11 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1lk5 h LEU 38 Cb 0.27 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1lk5 h LEU 38 CO -0.00 0.83 0.34 0.25 0.09 0.00 0.00 178.44 179.95 1lk5 h LEU 39 N 0.73 0.54 -1.20 1.67 5.85 -0.45 -1.32 115.31 121.12 1lk5 h LEU 39 Ca 0.16 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1lk5 h LEU 39 Cb 0.36 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1lk5 h LEU 39 CO 0.00 0.38 0.55 1.23 -0.34 0.00 0.00 178.44 180.26 1lk5 h GLY 40 N 0.66 1.17 1.23 3.75 0.00 -0.55 -0.73 103.07 108.59 1lk5 h GLY 40 Ca 0.23 -0.41 -0.18 0.00 0.00 0.00 0.00 47.33 46.96 1lk5 h GLY 40 CO -0.11 0.37 -0.56 0.83 0.00 0.00 0.00 176.54 177.07 1lk5 h GLU 41 N 1.05 0.81 -0.73 4.80 4.39 -0.78 -0.03 114.58 124.08 1lk5 h GLU 41 Ca 0.32 -0.52 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 1lk5 h GLU 41 Cb -0.02 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1lk5 h GLU 41 CO -0.09 1.15 0.40 -0.22 -1.16 0.00 0.00 179.01 179.09 1lk5 h LYS 42 N 0.61 1.02 -0.47 2.33 3.64 -0.76 -0.55 116.57 122.40 1lk5 h LYS 42 Ca 0.01 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 1lk5 h LYS 42 Cb 1.16 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 1lk5 h LYS 42 CO 0.12 0.77 0.08 1.25 -2.27 0.00 0.00 179.45 179.40 1lk5 h LEU 43 N 1.01 0.74 -1.10 5.20 5.85 -0.96 -0.27 115.31 125.78 1lk5 h LEU 43 Ca 0.26 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1lk5 h LEU 43 Cb 0.04 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1lk5 h LEU 43 CO -0.04 0.81 0.42 0.50 -0.34 0.00 0.00 178.44 179.79 1lk5 h LYS 44 N 0.65 1.04 -0.00 1.25 3.64 -0.42 -1.62 116.57 121.10 1lk5 h LYS 44 Ca 0.14 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1lk5 h LYS 44 Cb 0.38 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1lk5 h LYS 44 CO 0.01 0.76 -0.06 0.54 -2.27 0.00 0.00 179.45 178.43 1lk5 n ARG 45 N -4.36 0.90 -1.04 1.90 1.74 -0.27 -4.91 116.66 110.63 1lk5 n ARG 45 Ca 0.08 -0.28 -0.01 0.00 -0.77 0.00 0.00 57.85 56.86 1lk5 n ARG 45 Cb 0.09 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.03 1lk5 n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1lk5 n GLY 46 N 1.20 0.48 0.26 -0.13 0.00 -0.61 -4.88 105.19 101.51 1lk5 n GLY 46 Ca 0.17 -0.23 0.15 0.00 0.00 0.00 0.00 46.02 46.11 1lk5 n GLY 46 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1lk5 h GLU 47 N 0.56 0.00 -3.92 1.61 5.08 -1.31 -3.43 114.58 113.18 1lk5 h GLU 47 Ca -0.03 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 1lk5 h GLU 47 Cb 0.25 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.31 1lk5 h GLU 47 CO 0.04 0.04 -0.63 -1.50 -1.00 0.00 0.00 179.01 175.95 1lk5 s ILE 48 N -3.56 0.13 0.07 3.13 2.07 -1.18 -5.00 121.20 116.86 1lk5 s ILE 48 Ca 0.02 -1.05 -0.05 0.00 -1.41 0.00 0.00 60.65 58.16 1lk5 s ILE 48 Cb 0.08 -0.60 -0.02 0.00 0.13 0.00 0.00 42.46 42.05 1lk5 s ILE 48 CO 0.58 -0.58 0.09 -0.94 -1.91 0.00 0.00 174.94 172.18 1lk5 s SER 49 N -1.80 0.29 -1.22 4.50 1.04 -1.26 -4.33 113.70 110.91 1lk5 s SER 49 Ca -0.10 -0.81 -0.00 0.00 0.48 0.00 0.00 55.95 55.52 1lk5 s SER 49 Cb -0.05 0.27 -0.00 0.00 0.10 0.00 0.00 66.02 66.34 1lk5 s SER 49 CO -0.03 -0.67 0.91 0.47 0.98 0.00 0.00 173.24 174.91 1lk5 n ASP 50 N 0.03 -2.06 -4.82 7.02 8.00 -1.26 -2.13 116.55 121.32 1lk5 n ASP 50 Ca -0.15 -0.68 -0.33 0.00 0.71 0.00 0.00 54.79 54.34 1lk5 n ASP 50 Cb 0.62 -4.83 -0.06 0.00 -0.02 0.00 0.00 41.12 36.82 1lk5 n ASP 50 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1lk5 s ILE 51 N -3.44 4.99 -0.04 0.53 -1.09 -1.26 -2.04 121.20 118.84 1lk5 s ILE 51 Ca 0.03 -0.28 0.03 0.00 -2.23 0.00 0.00 60.65 58.19 1lk5 s ILE 51 Cb -0.00 -3.28 0.01 0.00 -1.58 0.00 0.00 42.46 37.60 1lk5 s ILE 51 CO 0.75 0.37 -0.11 -0.69 -1.23 0.00 0.00 174.94 174.03 1lk5 s VAL 52 N -1.21 1.00 -0.05 2.92 1.01 -0.96 -4.36 120.40 118.74 1lk5 s VAL 52 Ca 0.23 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1lk5 s VAL 52 Cb -0.12 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1lk5 s VAL 52 CO 0.14 0.31 0.10 -0.83 0.00 0.00 0.00 175.10 174.82 1lk5 s GLY 53 N 0.40 2.05 -0.30 4.51 0.00 0.45 -0.51 107.32 113.92 1lk5 s GLY 53 Ca -0.08 -0.78 0.04 0.00 0.00 0.00 0.00 44.72 43.89 1lk5 s GLY 53 CO 0.02 -0.60 -0.02 0.14 0.00 0.00 0.00 173.10 172.64 1lk5 s VAL 54 N -1.11 2.23 0.30 1.40 1.01 0.13 -0.67 120.40 123.69 1lk5 s VAL 54 Ca 0.20 -2.02 -0.28 0.00 0.00 0.00 0.00 61.98 59.88 1lk5 s VAL 54 Cb -0.12 -2.50 -0.09 0.00 0.00 0.00 0.00 36.38 33.66 1lk5 s VAL 54 CO 0.10 -0.34 1.01 -2.16 0.00 0.00 0.00 175.10 173.71 1lk5 s PRO 55 N 0.99 4.59 0.00 2.72 0.04 -1.26 -0.81 135.00 141.27 1lk5 s PRO 55 Ca 0.02 1.54 0.22 0.00 0.04 0.00 0.00 61.00 62.83 1lk5 s PRO 55 Cb -0.19 -2.98 0.60 0.00 0.04 0.00 0.00 34.50 31.96 1lk5 s PRO 55 CO -0.07 0.24 1.48 0.25 0.04 0.00 0.00 177.00 178.94 1lk5 n THR 56 N 0.85 0.28 -3.62 1.26 -2.24 -0.51 -4.88 114.28 105.42 1lk5 n THR 56 Ca 0.01 -0.50 -0.05 0.00 -2.27 0.00 0.00 64.05 61.24 1lk5 n THR 56 Cb 0.48 0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 69.40 1lk5 n THR 56 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1lk5 s SER 57 N -1.61 -0.22 0.26 3.42 1.04 -1.26 -4.04 113.70 111.29 1lk5 s SER 57 Ca 0.35 -0.16 -0.05 0.00 0.48 0.00 0.00 55.95 56.57 1lk5 s SER 57 Cb 0.20 0.36 0.30 0.00 0.10 0.00 0.00 66.02 66.97 1lk5 s SER 57 CO 0.29 -0.62 1.89 1.88 0.98 0.00 0.00 173.24 177.66 1lk5 h TYR 58 N 2.00 1.15 -0.13 5.02 0.99 -1.98 -0.57 116.97 123.45 1lk5 h TYR 58 Ca -0.22 -0.01 0.04 0.00 2.00 0.00 0.00 58.73 60.53 1lk5 h TYR 58 Cb 1.22 -0.37 -0.04 0.00 1.00 0.00 0.00 36.73 38.54 1lk5 h TYR 58 CO 0.31 0.78 -0.14 0.37 -0.00 0.00 0.00 178.16 179.49 1lk5 h GLN 59 N 1.19 -0.16 -0.64 4.88 -0.00 -1.98 0.13 115.11 118.53 1lk5 h GLN 59 Ca 0.30 0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.91 1lk5 h GLN 59 Cb -0.01 0.04 -0.03 0.00 0.00 0.00 0.00 27.48 27.48 1lk5 h GLN 59 CO -0.05 -0.11 0.16 0.00 0.00 0.00 0.00 178.83 178.83 1lk5 h ALA 60 N 0.90 0.84 -0.07 3.38 0.00 -1.77 -2.14 119.26 120.40 1lk5 h ALA 60 Ca 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1lk5 h ALA 60 Cb 0.30 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1lk5 h ALA 60 CO -0.23 0.54 0.04 -0.22 0.00 0.00 0.00 179.25 179.39 1lk5 h LYS 61 N 0.94 0.09 -0.21 0.00 3.64 -0.52 -0.47 116.57 120.04 1lk5 h LYS 61 Ca 0.20 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.47 1lk5 h LYS 61 Cb 0.35 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1lk5 h LYS 61 CO 0.00 0.06 -0.33 -0.07 -2.27 0.00 0.00 179.45 176.85 1lk5 h LEU 62 N 0.08 0.45 -0.36 5.20 3.38 -0.71 -1.16 115.31 122.20 1lk5 h LEU 62 Ca 0.02 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 1lk5 h LEU 62 Cb -0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1lk5 h LEU 62 CO -0.01 0.76 -0.03 0.25 0.09 0.00 0.00 178.44 179.51 1lk5 h LEU 63 N 0.38 0.65 -0.60 1.67 5.85 -1.21 -1.29 115.31 120.76 1lk5 h LEU 63 Ca 0.05 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1lk5 h LEU 63 Cb 0.76 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1lk5 h LEU 63 CO 0.06 0.82 0.34 0.00 -0.34 0.00 0.00 178.44 179.32 1lk5 h ALA 64 N 0.85 0.77 -0.67 1.25 0.00 -0.86 -1.85 119.26 118.74 1lk5 h ALA 64 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1lk5 h ALA 64 Cb 0.50 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1lk5 h ALA 64 CO 0.02 0.27 0.43 0.82 0.00 0.00 0.00 179.25 180.80 1lk5 h ILE 65 N 0.81 1.18 -0.12 0.00 2.04 -1.06 -1.22 117.51 119.14 1lk5 h ILE 65 Ca 0.21 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1lk5 h ILE 65 Cb 0.02 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1lk5 h ILE 65 CO -0.04 0.18 0.08 -0.33 0.00 0.00 0.00 178.15 178.05 1lk5 h GLU 66 N 0.92 0.12 -0.61 2.37 5.08 -0.81 -2.03 114.58 119.62 1lk5 h GLU 66 Ca 0.24 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.44 1lk5 h GLU 66 Cb -0.07 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.06 1lk5 h GLU 66 CO -0.05 0.08 0.17 0.72 -1.00 0.00 0.00 179.01 178.93 1lk5 n HIS 67 N -4.52 2.04 -3.08 4.33 8.25 -0.73 -4.97 115.22 116.54 1lk5 n HIS 67 Ca -0.01 -1.15 -0.20 0.00 -0.26 0.00 0.00 57.72 56.10 1lk5 n HIS 67 Cb 0.11 -0.59 0.00 0.00 1.12 0.00 0.00 29.99 30.63 1lk5 n HIS 67 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1lk5 n ASP 68 N -0.26 -4.03 -4.67 0.41 8.00 -0.76 -4.71 116.55 110.53 1lk5 n ASP 68 Ca 0.36 -0.22 -0.39 0.00 0.71 0.00 0.00 54.79 55.25 1lk5 n ASP 68 Cb 1.26 -3.35 -0.07 0.00 -0.02 0.00 0.00 41.12 38.95 1lk5 n ASP 68 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1lk5 s ILE 69 N -2.87 5.11 0.39 0.53 1.01 -0.54 -5.03 121.20 119.80 1lk5 s ILE 69 Ca 0.28 0.98 -0.27 0.00 0.00 0.00 0.00 60.65 61.65 1lk5 s ILE 69 Cb -0.15 -3.85 -0.11 0.00 0.01 0.00 0.00 42.46 38.37 1lk5 s ILE 69 CO 0.35 0.19 1.30 -2.65 0.00 0.00 0.00 174.94 174.13 1lk5 n PRO 70 N 4.69 2.08 -4.39 2.79 -0.02 -1.26 -4.42 135.00 134.46 1lk5 n PRO 70 Ca -0.05 0.73 -0.24 0.00 -2.02 0.00 0.00 63.50 61.93 1lk5 n PRO 70 Cb 0.50 -2.40 -0.13 0.00 -0.02 0.00 0.00 33.50 31.46 1lk5 n PRO 70 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1lk5 s ILE 71 N -1.16 1.64 -0.01 4.25 -1.09 -1.26 -0.42 121.20 123.16 1lk5 s ILE 71 Ca 0.58 -1.40 -0.20 0.00 -2.23 0.00 0.00 60.65 57.41 1lk5 s ILE 71 Cb -0.52 -1.47 0.04 0.00 -1.58 0.00 0.00 42.46 38.92 1lk5 s ILE 71 CO 0.60 0.02 0.43 0.00 -1.23 0.00 0.00 174.94 174.76 1lk5 s ALA 72 N -1.04 -1.09 0.70 9.38 0.00 0.15 -4.88 121.76 124.98 1lk5 s ALA 72 Ca 0.06 0.56 -0.11 0.00 0.00 0.00 0.00 51.96 52.47 1lk5 s ALA 72 Cb -0.10 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.17 1lk5 s ALA 72 CO 0.03 -0.35 1.08 -1.12 0.00 0.00 0.00 175.76 175.40 1lk5 s SER 73 N -1.50 5.46 0.30 0.00 0.01 -1.26 -4.11 113.70 112.61 1lk5 s SER 73 Ca -0.10 1.28 0.01 0.00 1.31 0.00 0.00 55.95 58.45 1lk5 s SER 73 Cb -0.03 -2.14 0.54 0.00 0.21 0.00 0.00 66.02 64.61 1lk5 s SER 73 CO 0.04 -1.35 1.91 0.25 0.41 0.00 0.00 173.24 174.50 1lk5 h LEU 74 N -0.66 0.89 0.00 2.44 5.85 -1.95 -0.97 115.31 120.92 1lk5 h LEU 74 Ca -0.45 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1lk5 h LEU 74 Cb 1.24 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1lk5 h LEU 74 CO 0.62 0.57 0.00 -0.90 -0.34 0.00 0.00 178.44 178.39 1lk5 n ASP 75 N -4.49 0.00 0.09 1.25 5.75 -1.26 -2.52 116.55 115.37 1lk5 n ASP 75 Ca 0.13 -0.60 0.12 0.00 -0.01 0.00 0.00 54.79 54.43 1lk5 n ASP 75 Cb 0.20 -0.08 0.04 0.00 -1.03 0.00 0.00 41.12 40.24 1lk5 n ASP 75 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1lk5 h GLN 76 N 0.00 0.00 -6.09 0.11 4.20 -1.54 -3.48 115.11 108.31 1lk5 h GLN 76 Ca 0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 1lk5 h GLN 76 Cb 0.07 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.76 1lk5 h GLN 76 CO 0.00 0.00 -0.58 0.14 -0.67 0.00 0.00 178.83 177.72 1lk5 s VAL 77 N -3.31 2.99 -0.28 -0.54 -7.23 -1.05 -5.02 120.40 105.97 1lk5 s VAL 77 Ca 0.01 -1.82 0.22 0.00 -1.81 0.00 0.00 61.98 58.58 1lk5 s VAL 77 Cb 0.10 -2.90 -0.18 0.00 0.56 0.00 0.00 36.38 33.97 1lk5 s VAL 77 CO 0.77 -0.23 0.80 0.47 -0.31 0.00 0.00 175.10 176.61 1lk5 n ASP 78 N -1.04 0.45 -3.53 4.85 8.00 -1.26 -4.98 116.55 119.04 1lk5 n ASP 78 Ca -0.04 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.35 1lk5 n ASP 78 Cb 0.61 1.20 -0.04 0.00 -0.02 0.00 0.00 41.12 42.87 1lk5 n ASP 78 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lk5 s ALA 79 N -3.37 -1.84 -0.32 2.24 0.00 -1.26 -5.12 121.76 112.09 1lk5 s ALA 79 Ca -0.02 1.25 -0.09 0.00 0.00 0.00 0.00 51.96 53.10 1lk5 s ALA 79 Cb 0.13 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.20 1lk5 s ALA 79 CO 0.85 -0.49 0.14 0.42 0.00 0.00 0.00 175.76 176.67 1lk5 s ILE 80 N -2.07 4.40 -0.08 0.00 -1.09 -1.26 -4.69 121.20 116.41 1lk5 s ILE 80 Ca -0.01 -0.60 -0.26 0.00 -2.23 0.00 0.00 60.65 57.56 1lk5 s ILE 80 Cb -0.01 -3.30 -0.22 0.00 -1.58 0.00 0.00 42.46 37.36 1lk5 s ILE 80 CO -0.02 0.00 0.93 0.44 -1.23 0.00 0.00 174.94 175.06 1lk5 h ASP 81 N 8.33 -0.03 -3.78 3.58 3.32 -1.40 -1.42 116.42 125.02 1lk5 h ASP 81 Ca -0.30 -0.69 -0.29 0.00 0.02 0.00 0.00 57.03 55.78 1lk5 h ASP 81 Cb 1.13 0.01 -0.29 0.00 0.22 0.00 0.00 39.33 40.40 1lk5 h ASP 81 CO 0.62 0.71 -0.74 -0.69 -1.72 0.00 0.00 179.24 177.42 1lk5 s VAL 82 N -3.09 0.20 -0.05 -1.35 1.01 -1.16 -1.86 120.40 114.10 1lk5 s VAL 82 Ca -0.16 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 61.79 1lk5 s VAL 82 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 1lk5 s VAL 82 CO 0.63 0.07 -0.22 0.00 0.00 0.00 0.00 175.10 175.57 1lk5 s ALA 83 N 0.08 1.94 -0.08 5.51 0.00 0.07 -0.34 121.76 128.94 1lk5 s ALA 83 Ca -0.00 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.07 1lk5 s ALA 83 Cb -0.03 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.48 1lk5 s ALA 83 CO -0.00 0.36 -0.21 0.08 0.00 0.00 0.00 175.76 175.99 1lk5 s VAL 84 N -0.08 1.80 0.25 0.00 1.01 -0.66 0.58 120.40 123.30 1lk5 s VAL 84 Ca -0.04 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 60.84 1lk5 s VAL 84 Cb -0.13 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.71 1lk5 s VAL 84 CO 0.03 0.50 0.76 -0.62 0.00 0.00 0.00 175.10 175.77 1lk5 s ASP 85 N 0.32 -0.26 0.15 3.32 -1.08 -0.55 -0.17 116.67 118.40 1lk5 s ASP 85 Ca -0.15 -0.55 0.00 0.00 -0.52 0.00 0.00 52.55 51.33 1lk5 s ASP 85 Cb -0.16 0.68 0.00 0.00 -1.46 0.00 0.00 42.92 41.98 1lk5 s ASP 85 CO 0.07 -1.26 0.00 0.61 0.52 0.00 0.00 175.17 175.10 1lk5 n GLY 86 N -0.46 1.45 3.44 2.66 0.00 -1.26 -0.20 105.19 110.82 1lk5 n GLY 86 Ca -0.05 -2.06 -0.15 0.00 0.00 0.00 0.00 46.02 43.77 1lk5 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lk5 s ALA 87 N -2.31 -1.53 -0.09 4.61 0.00 -1.26 -4.79 121.76 116.39 1lk5 s ALA 87 Ca 0.00 0.83 0.06 0.00 0.00 0.00 0.00 51.96 52.85 1lk5 s ALA 87 Cb 0.00 0.35 -0.24 0.00 0.00 0.00 0.00 23.12 23.23 1lk5 s ALA 87 CO 0.00 -0.51 0.47 -0.25 0.00 0.00 0.00 175.76 175.47 1lk5 n ASP 88 N 0.44 1.27 -3.88 0.00 8.00 0.49 -4.95 116.55 117.91 1lk5 n ASP 88 Ca -0.18 0.28 -0.11 0.00 0.71 0.00 0.00 54.79 55.49 1lk5 n ASP 88 Cb 0.60 -0.26 -0.11 0.00 -0.02 0.00 0.00 41.12 41.33 1lk5 n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1lk5 s GLU 89 N -2.57 0.34 -0.12 -1.24 2.02 -0.95 -4.76 118.70 111.42 1lk5 s GLU 89 Ca -0.12 -0.28 -0.02 0.00 0.02 0.00 0.00 54.97 54.56 1lk5 s GLU 89 Cb 0.07 0.14 0.04 0.00 0.10 0.00 0.00 34.13 34.49 1lk5 s GLU 89 CO 0.80 -0.07 0.03 0.08 0.02 0.00 0.00 175.26 176.12 1lk5 s VAL 90 N -0.97 0.29 0.72 2.63 1.01 -0.53 -1.66 120.40 121.89 1lk5 s VAL 90 Ca -0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 1lk5 s VAL 90 Cb -0.06 -0.63 0.11 0.00 0.00 0.00 0.00 36.38 35.80 1lk5 s VAL 90 CO 0.01 0.05 1.01 1.51 0.00 0.00 0.00 175.10 177.67 1lk5 s ASP 91 N 1.99 4.40 0.62 3.32 3.84 -0.38 -1.56 116.67 128.90 1lk5 s ASP 91 Ca 0.03 -0.07 0.36 0.00 -0.00 0.00 0.00 52.55 52.86 1lk5 s ASP 91 Cb -0.14 -0.39 2.06 0.00 -1.38 0.00 0.00 42.92 43.07 1lk5 s ASP 91 CO -0.06 -1.82 2.29 -0.65 -0.00 0.00 0.00 175.17 174.92 1lk5 h PRO 92 N -0.60 0.00 -0.40 2.11 0.11 -1.80 0.65 132.00 132.07 1lk5 h PRO 92 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1lk5 h PRO 92 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1lk5 h PRO 92 CO 0.45 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.33 1lk5 n ASN 93 N -3.52 2.57 -1.29 -2.05 3.02 -1.26 -4.93 115.26 107.80 1lk5 n ASN 93 Ca -0.03 -1.93 -0.12 0.00 -0.03 0.00 0.00 54.58 52.48 1lk5 n ASN 93 Cb 0.10 -0.26 -0.02 0.00 -0.61 0.00 0.00 39.78 38.99 1lk5 n ASN 93 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1lk5 n LEU 94 N 0.90 -1.40 -4.83 3.41 4.77 0.22 -4.93 117.00 115.14 1lk5 n LEU 94 Ca 0.17 0.06 -0.36 0.00 -0.03 0.00 0.00 56.01 55.86 1lk5 n LEU 94 Cb 0.43 -1.92 -0.06 0.00 -2.33 0.00 0.00 43.42 39.54 1lk5 n LEU 94 CO 0.13 -0.25 0.34 0.20 -1.33 0.00 0.00 177.39 176.47 1lk5 s ASN 95 N -2.55 6.94 0.24 -1.43 0.01 -1.26 -4.50 114.94 112.39 1lk5 s ASN 95 Ca 0.00 1.26 0.11 0.00 -0.71 0.00 0.00 52.86 53.52 1lk5 s ASN 95 Cb 0.00 -2.36 -0.05 0.00 0.41 0.00 0.00 41.25 39.26 1lk5 s ASN 95 CO 0.00 0.05 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.68 1lk5 s LEU 96 N -2.02 2.59 -0.14 0.60 1.43 -0.13 -1.25 118.68 119.75 1lk5 s LEU 96 Ca 0.41 -0.93 -0.03 0.00 -1.03 0.00 0.00 54.13 52.56 1lk5 s LEU 96 Cb -0.16 -1.19 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 1lk5 s LEU 96 CO 0.20 0.07 -0.06 -0.63 0.23 0.00 0.00 176.35 176.16 1lk5 s ILE 97 N -2.15 3.73 0.26 -0.59 1.01 -0.67 -0.71 121.20 122.08 1lk5 s ILE 97 Ca 0.26 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.52 1lk5 s ILE 97 Cb -0.06 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.74 1lk5 s ILE 97 CO 0.13 0.51 0.05 -0.54 0.00 0.00 0.00 174.94 175.10 1lk5 s LYS 98 N 0.25 1.44 0.00 2.79 1.02 0.36 -0.38 119.74 125.22 1lk5 s LYS 98 Ca -0.04 -1.77 0.00 0.00 0.02 0.00 0.00 55.97 54.18 1lk5 s LYS 98 Cb -0.14 -0.53 0.00 0.00 -0.52 0.00 0.00 37.83 36.64 1lk5 s LYS 98 CO 0.03 -0.20 0.00 0.41 -0.92 0.00 0.00 175.35 174.67 1lk5 n GLY 99 N -0.50 0.96 0.35 -3.33 0.00 -1.26 -4.25 105.19 97.16 1lk5 n GLY 99 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1lk5 n GLY 99 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1lk5 h ARG 100 N 1.18 0.68 -0.00 1.61 2.43 -1.95 0.41 114.38 118.74 1lk5 h ARG 100 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1lk5 h ARG 100 Cb 0.00 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1lk5 h ARG 100 CO 0.00 0.45 -0.01 0.41 -1.51 0.00 0.00 179.97 179.31 1lk5 n GLY 101 N -1.46 -1.02 2.26 2.80 0.00 -1.26 -4.93 105.19 101.58 1lk5 n GLY 101 Ca 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 46.02 45.92 1lk5 n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lk5 n ALA 102 N -1.01 -0.00 -1.01 4.61 0.00 0.13 -4.92 120.51 118.31 1lk5 n ALA 102 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.66 1lk5 n ALA 102 Cb 0.18 -0.40 0.33 0.00 0.00 0.00 0.00 19.45 19.56 1lk5 n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lk5 n ALA 103 N 1.00 4.02 0.09 0.00 0.00 -1.26 -4.68 120.51 119.69 1lk5 n ALA 103 Ca -0.00 -2.22 0.12 0.00 0.00 0.00 0.00 53.44 51.33 1lk5 n ALA 103 Cb 0.13 -1.08 0.60 0.00 0.00 0.00 0.00 19.45 19.10 1lk5 n ALA 103 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1lk5 h LEU 104 N 2.94 0.12 0.27 0.00 -0.00 -1.90 -1.99 115.31 114.76 1lk5 h LEU 104 Ca 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.98 1lk5 h LEU 104 Cb 2.02 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 42.65 1lk5 h LEU 104 CO 0.54 0.08 -0.13 0.74 -0.00 0.00 0.00 178.44 179.67 1lk5 h THR 105 N 0.14 0.76 -0.18 0.15 2.02 -1.94 -1.32 112.91 112.54 1lk5 h THR 105 Ca 0.14 -0.60 -0.10 0.00 0.77 0.00 0.00 66.41 66.61 1lk5 h THR 105 Cb 0.38 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1lk5 h THR 105 CO -0.02 0.12 -0.34 -0.03 0.37 0.00 0.00 175.52 175.62 1lk5 h MET 106 N -0.70 0.37 0.05 6.66 1.85 -1.76 -1.51 114.93 119.89 1lk5 h MET 106 Ca -0.04 -0.16 0.02 0.00 -0.61 0.00 0.00 59.70 58.92 1lk5 h MET 106 Cb 0.48 -0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.47 1lk5 h MET 106 CO 0.06 0.66 -0.18 0.93 -0.40 0.00 0.00 176.91 177.99 1lk5 h GLU 107 N 0.31 -0.30 -0.36 0.39 5.08 -1.37 -1.72 114.58 116.61 1lk5 h GLU 107 Ca 0.04 0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1lk5 h GLU 107 Cb 0.75 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1lk5 h GLU 107 CO 0.06 -0.20 -0.18 -0.22 -1.00 0.00 0.00 179.01 177.46 1lk5 h LYS 108 N -0.32 0.68 -0.54 2.33 3.64 -1.02 0.20 116.57 121.54 1lk5 h LYS 108 Ca 0.04 -0.25 0.07 0.00 -1.27 0.00 0.00 60.65 59.25 1lk5 h LYS 108 Cb 0.36 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 1lk5 h LYS 108 CO -0.13 0.82 0.21 0.82 -2.27 0.00 0.00 179.45 178.90 1lk5 h ILE 109 N 0.61 0.83 0.13 2.00 2.04 -1.03 -1.11 117.51 120.98 1lk5 h ILE 109 Ca 0.09 -0.14 -0.21 0.00 1.00 0.00 0.00 64.86 65.60 1lk5 h ILE 109 Cb 0.65 0.40 0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1lk5 h ILE 109 CO 0.05 0.07 -0.92 0.40 0.00 0.00 0.00 178.15 177.75 1lk5 h ILE 110 N 0.40 1.44 0.00 -0.67 2.04 -1.11 -3.35 117.51 116.26 1lk5 h ILE 110 Ca 0.26 -2.47 -0.10 0.00 1.00 0.00 0.00 64.86 63.55 1lk5 h ILE 110 Cb 0.28 3.02 -0.01 0.00 -0.74 0.00 0.00 36.82 39.37 1lk5 h ILE 110 CO -0.25 0.71 -0.49 -0.33 0.00 0.00 0.00 178.15 177.79 1lk5 h GLU 111 N -0.18 0.00 -0.09 2.37 5.08 -0.88 -2.31 114.58 118.57 1lk5 h GLU 111 Ca -0.15 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 1lk5 h GLU 111 Cb 1.69 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 1lk5 h GLU 111 CO 0.17 0.49 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.60 1lk5 h TYR 112 N 0.00 0.14 -0.09 4.33 3.20 -1.33 -2.66 116.97 120.55 1lk5 h TYR 112 Ca -0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1lk5 h TYR 112 Cb 0.94 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.17 1lk5 h TYR 112 CO 0.00 0.29 0.00 0.54 -1.64 0.00 0.00 178.16 177.35 1lk5 n ARG 113 N -4.29 1.94 -2.58 1.82 3.00 -0.88 -4.95 116.66 110.73 1lk5 n ARG 113 Ca -0.01 -1.39 -0.41 0.00 -0.01 0.00 0.00 57.85 56.03 1lk5 n ARG 113 Cb 0.26 -1.46 -0.04 0.00 0.00 0.00 0.00 32.46 31.22 1lk5 n ARG 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1lk5 s ALA 114 N -1.90 3.34 0.19 7.54 0.00 -1.01 -4.19 121.76 125.74 1lk5 s ALA 114 Ca 0.34 0.75 -0.12 0.00 0.00 0.00 0.00 51.96 52.94 1lk5 s ALA 114 Cb 0.20 -3.32 0.19 0.00 0.00 0.00 0.00 23.12 20.18 1lk5 s ALA 114 CO 0.31 -0.14 1.77 0.78 0.00 0.00 0.00 175.76 178.49 1lk5 h GLY 115 N 5.11 0.78 -6.34 0.00 0.00 -0.94 -3.40 103.07 98.28 1lk5 h GLY 115 Ca -0.44 -0.17 -0.45 0.00 0.00 0.00 0.00 47.33 46.28 1lk5 h GLY 115 CO 0.72 0.08 -0.78 -1.59 0.00 0.00 0.00 176.54 174.96 1lk5 s THR 116 N -6.12 0.67 -0.38 4.70 2.01 -0.77 -5.01 115.64 110.74 1lk5 s THR 116 Ca -0.13 -0.16 -0.12 0.00 0.31 0.00 0.00 61.69 61.58 1lk5 s THR 116 Cb 0.15 -0.70 0.02 0.00 0.01 0.00 0.00 72.50 71.98 1lk5 s THR 116 CO 0.74 0.27 0.23 0.12 -0.69 0.00 0.00 174.62 175.29 1lk5 s PHE 117 N 1.13 3.24 -0.22 4.92 5.36 -1.26 -0.75 117.98 130.40 1lk5 s PHE 117 Ca -0.07 -0.81 -0.08 0.00 -0.96 0.00 0.00 56.93 55.00 1lk5 s PHE 117 Cb -0.14 -2.48 -0.04 0.00 -0.34 0.00 0.00 43.02 40.02 1lk5 s PHE 117 CO -0.01 -0.61 0.09 0.42 -1.46 0.00 0.00 175.22 173.65 1lk5 s ILE 118 N 1.60 4.79 -0.15 3.12 1.01 0.19 -1.27 121.20 130.49 1lk5 s ILE 118 Ca 0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.59 1lk5 s ILE 118 Cb -0.19 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 1lk5 s ILE 118 CO 0.08 0.38 0.09 -0.69 0.00 0.00 0.00 174.94 174.80 1lk5 s VAL 119 N 0.98 5.06 -0.21 2.92 1.01 0.59 -1.48 120.40 129.27 1lk5 s VAL 119 Ca 0.05 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 1lk5 s VAL 119 Cb -0.14 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1lk5 s VAL 119 CO 0.03 0.52 -0.07 -0.76 0.00 0.00 0.00 175.10 174.83 1lk5 s LEU 120 N -0.22 2.79 0.03 3.92 1.02 0.72 -0.16 118.68 126.77 1lk5 s LEU 120 Ca 0.09 -0.42 -0.03 0.00 0.02 0.00 0.00 54.13 53.80 1lk5 s LEU 120 Cb -0.12 -1.70 -0.02 0.00 0.02 0.00 0.00 46.19 44.38 1lk5 s LEU 120 CO 0.01 -0.00 0.02 0.68 0.02 0.00 0.00 176.35 177.08 1lk5 s VAL 121 N 1.37 0.13 0.38 -1.59 -7.23 -0.64 -4.13 120.40 108.70 1lk5 s VAL 121 Ca 0.05 -1.11 0.01 0.00 -1.81 0.00 0.00 61.98 59.12 1lk5 s VAL 121 Cb -0.14 -0.69 -0.02 0.00 0.56 0.00 0.00 36.38 36.08 1lk5 s VAL 121 CO -0.04 -0.61 0.59 1.51 -0.31 0.00 0.00 175.10 176.24 1lk5 s ASP 122 N -1.91 6.14 0.29 4.85 1.47 -1.26 -0.57 116.67 125.67 1lk5 s ASP 122 Ca -0.08 0.38 0.16 0.00 1.18 0.00 0.00 52.55 54.18 1lk5 s ASP 122 Cb -0.04 -1.84 1.05 0.00 -0.34 0.00 0.00 42.92 41.75 1lk5 s ASP 122 CO -0.03 -0.43 1.25 1.21 0.68 0.00 0.00 175.17 177.85 1lk5 n GLU 123 N -1.88 -0.05 0.20 2.11 2.13 0.35 -1.52 120.64 121.98 1lk5 n GLU 123 Ca -0.03 1.10 0.16 0.00 0.66 0.00 0.00 57.16 59.05 1lk5 n GLU 123 Cb 0.57 -1.96 0.79 0.00 0.27 0.00 0.00 31.44 31.11 1lk5 n GLU 123 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1lk5 h ARG 124 N 0.00 0.00 0.00 5.31 3.08 -1.93 -2.79 114.38 118.04 1lk5 h ARG 124 Ca 0.67 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.72 1lk5 h ARG 124 Cb 1.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.81 1lk5 h ARG 124 CO -0.61 0.00 0.00 0.87 -1.07 0.00 0.00 179.97 179.16 1lk5 h LYS 125 N 0.00 0.00 -6.65 0.04 1.79 -1.57 -3.45 116.57 106.73 1lk5 h LYS 125 Ca 0.09 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.03 1lk5 h LYS 125 Cb 0.43 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.10 1lk5 h LYS 125 CO -0.00 0.00 0.62 -0.51 -1.08 0.00 0.00 179.45 178.48 1lk5 s LEU 126 N -5.68 4.42 0.14 2.94 1.43 -1.06 -1.45 118.68 119.43 1lk5 s LEU 126 Ca 0.06 2.32 0.02 0.00 -1.03 0.00 0.00 54.13 55.50 1lk5 s LEU 126 Cb 0.08 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 1lk5 s LEU 126 CO 0.59 -0.48 -0.04 0.68 0.23 0.00 0.00 176.35 177.34 1lk5 s VAL 127 N 0.16 0.78 0.14 -1.59 -7.23 -0.60 -4.88 120.40 107.19 1lk5 s VAL 127 Ca 0.56 -1.98 0.06 0.00 -1.81 0.00 0.00 61.98 58.80 1lk5 s VAL 127 Cb -0.35 -1.93 -0.18 0.00 0.56 0.00 0.00 36.38 34.48 1lk5 s VAL 127 CO 0.37 -0.66 1.32 0.44 -0.31 0.00 0.00 175.10 176.26 1lk5 h ASP 128 N 2.80 0.08 -5.00 4.85 3.32 -1.96 -3.34 116.42 117.17 1lk5 h ASP 128 Ca -0.36 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 56.53 1lk5 h ASP 128 Cb 1.19 -0.02 -0.19 0.00 0.22 0.00 0.00 39.33 40.52 1lk5 h ASP 128 CO 0.64 0.98 -0.06 -0.72 -1.72 0.00 0.00 179.24 178.36 1lk5 s TYR 129 N -2.89 -0.40 0.35 4.55 -0.85 -1.26 -4.53 117.35 112.32 1lk5 s TYR 129 Ca -0.00 0.65 -0.28 0.00 -0.52 0.00 0.00 57.07 56.91 1lk5 s TYR 129 Cb 0.10 0.24 -0.11 0.00 0.38 0.00 0.00 41.96 42.58 1lk5 s TYR 129 CO 0.82 -0.50 1.43 -0.51 -1.52 0.00 0.00 175.55 175.28 1lk5 s LEU 130 N -1.29 4.36 0.00 -3.49 1.43 -1.26 -1.80 118.68 116.62 1lk5 s LEU 130 Ca -0.12 2.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.89 1lk5 s LEU 130 Cb -0.03 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.53 1lk5 s LEU 130 CO 0.07 -0.76 0.00 0.00 0.23 0.00 0.00 176.35 175.89 1lk5 h GLN 132 N 1.03 0.76 0.00 0.00 4.15 -1.61 -3.38 115.11 116.05 1lk5 h GLN 132 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1lk5 h GLN 132 Cb 0.00 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.55 1lk5 h GLN 132 CO 0.00 0.60 -0.77 1.63 -1.93 0.00 0.00 178.83 178.36 1lk5 n LYS 133 N -4.36 1.37 -4.39 1.69 5.02 -1.26 -5.11 118.16 111.13 1lk5 n LYS 133 Ca 0.04 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.09 1lk5 n LYS 133 Cb 0.14 -0.88 -0.12 0.00 -0.02 0.00 0.00 35.03 34.15 1lk5 n LYS 133 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1lk5 s MET 134 N -1.77 1.41 0.64 1.97 -1.94 -1.26 -5.14 119.30 113.22 1lk5 s MET 134 Ca 0.00 -1.47 -0.10 0.00 -1.71 0.00 0.00 55.69 52.41 1lk5 s MET 134 Cb 0.00 -1.64 -0.00 0.00 2.01 0.00 0.00 34.83 35.20 1lk5 s MET 134 CO 0.00 0.35 1.02 -1.25 -0.01 0.00 0.00 175.02 175.13 1lk5 s PRO 135 N -2.69 3.12 -0.36 2.03 0.04 -1.26 -3.94 135.00 131.93 1lk5 s PRO 135 Ca 0.18 0.43 -0.21 0.00 0.04 0.00 0.00 61.00 61.44 1lk5 s PRO 135 Cb -0.07 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.36 1lk5 s PRO 135 CO 0.08 -0.79 0.69 0.08 0.04 0.00 0.00 177.00 177.10 1lk5 s VAL 136 N -3.20 4.83 0.30 -0.36 1.01 0.78 -4.81 120.40 118.96 1lk5 s VAL 136 Ca 0.56 0.65 -0.29 0.00 0.00 0.00 0.00 61.98 62.90 1lk5 s VAL 136 Cb -0.11 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.04 1lk5 s VAL 136 CO 0.51 -0.37 1.20 -2.84 0.00 0.00 0.00 175.10 173.60 1lk5 s PRO 137 N 2.85 4.50 -0.10 2.72 0.02 -1.26 -0.89 135.00 142.84 1lk5 s PRO 137 Ca 0.27 2.01 -0.01 0.00 0.02 0.00 0.00 61.00 63.29 1lk5 s PRO 137 Cb -0.14 -3.13 0.03 0.00 0.02 0.00 0.00 34.50 31.27 1lk5 s PRO 137 CO 0.16 0.01 -0.04 0.42 -0.33 0.00 0.00 177.00 177.21 1lk5 s ILE 138 N -1.11 0.76 -0.13 2.83 1.01 0.94 -0.17 121.20 125.33 1lk5 s ILE 138 Ca 0.47 -0.12 -0.22 0.00 0.00 0.00 0.00 60.65 60.77 1lk5 s ILE 138 Cb -0.36 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 1lk5 s ILE 138 CO 0.47 0.32 0.68 -0.70 0.00 0.00 0.00 174.94 175.71 1lk5 s GLU 139 N 1.80 4.33 0.04 2.79 2.12 -0.31 -0.90 118.70 128.57 1lk5 s GLU 139 Ca 0.05 0.78 0.04 0.00 0.36 0.00 0.00 54.97 56.19 1lk5 s GLU 139 Cb -0.12 -3.51 -0.02 0.00 0.26 0.00 0.00 34.13 30.73 1lk5 s GLU 139 CO -0.07 -0.10 -0.11 0.14 -0.54 0.00 0.00 175.26 174.58 1lk5 s VAL 140 N 1.39 0.85 0.14 3.70 -7.23 -0.36 -0.97 120.40 117.92 1lk5 s VAL 140 Ca 0.34 -0.97 -0.32 0.00 -1.81 0.00 0.00 61.98 59.22 1lk5 s VAL 140 Cb -0.17 -0.81 -0.11 0.00 0.56 0.00 0.00 36.38 35.85 1lk5 s VAL 140 CO 0.14 -0.13 1.81 -0.38 -0.31 0.00 0.00 175.10 176.22 1lk5 n ILE 141 N 1.81 0.29 -0.25 -0.62 2.08 -0.55 -1.57 119.36 120.55 1lk5 n ILE 141 Ca -0.19 -0.05 0.02 0.00 0.56 0.00 0.00 62.75 63.08 1lk5 n ILE 141 Cb 0.55 -2.07 0.09 0.00 -0.75 0.00 0.00 39.64 37.46 1lk5 n ILE 141 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 1lk5 h PRO 142 N 8.12 0.01 -0.42 0.38 0.11 -1.91 -1.03 132.00 137.26 1lk5 h PRO 142 Ca -0.46 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.77 1lk5 h PRO 142 Cb 1.22 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1lk5 h PRO 142 CO 0.95 0.01 0.44 0.37 -0.21 0.00 0.00 178.00 179.55 1lk5 h GLN 143 N 0.01 0.00 -0.16 1.05 4.15 -1.99 -1.80 115.11 116.38 1lk5 h GLN 143 Ca 0.36 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.78 1lk5 h GLN 143 Cb 0.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1lk5 h GLN 143 CO -0.73 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 176.17 1lk5 n ALA 144 N -2.36 2.51 -0.14 3.38 0.00 -0.39 -4.59 120.51 118.92 1lk5 n ALA 144 Ca 0.07 -0.61 -0.08 0.00 0.00 0.00 0.00 53.44 52.82 1lk5 n ALA 144 Cb 0.62 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1lk5 n ALA 144 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1lk5 h TRP 145 N 2.95 0.55 -0.22 0.00 5.08 -1.42 -1.92 115.95 120.98 1lk5 h TRP 145 Ca 0.00 -0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.94 1lk5 h TRP 145 Cb 0.64 -0.18 -0.01 0.00 -3.00 0.00 0.00 29.16 26.61 1lk5 h TRP 145 CO 0.09 0.39 0.03 -0.22 -1.28 0.00 0.00 178.44 177.45 1lk5 h LYS 146 N 0.56 0.37 -0.88 0.12 3.64 -1.83 -2.08 116.57 116.46 1lk5 h LYS 146 Ca 0.15 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1lk5 h LYS 146 Cb -0.01 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 1lk5 h LYS 146 CO -0.03 0.52 0.50 0.00 -2.27 0.00 0.00 179.45 178.17 1lk5 h ALA 147 N 0.83 1.13 -0.46 5.00 0.00 -1.84 -1.91 119.26 122.01 1lk5 h ALA 147 Ca 0.07 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1lk5 h ALA 147 Cb 0.34 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1lk5 h ALA 147 CO 0.01 0.63 -0.03 0.82 0.00 0.00 0.00 179.25 180.68 1lk5 h ILE 148 N 1.23 1.27 -0.69 0.00 2.04 -1.23 -0.17 117.51 119.95 1lk5 h ILE 148 Ca 0.31 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 65.09 1lk5 h ILE 148 Cb 0.01 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1lk5 h ILE 148 CO -0.05 0.38 0.45 0.40 0.00 0.00 0.00 178.15 179.33 1lk5 h ILE 149 N 0.68 1.15 -0.50 -0.67 2.04 -1.15 -0.35 117.51 118.71 1lk5 h ILE 149 Ca 0.13 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1lk5 h ILE 149 Cb 0.54 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1lk5 h ILE 149 CO 0.03 0.17 0.21 -0.33 0.00 0.00 0.00 178.15 178.22 1lk5 h GLU 150 N 0.91 0.74 -0.38 2.37 5.08 -1.07 -2.85 114.58 119.38 1lk5 h GLU 150 Ca 0.26 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 1lk5 h GLU 150 Cb -0.07 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1lk5 h GLU 150 CO -0.07 0.65 -0.05 0.93 -1.00 0.00 0.00 179.01 179.47 1lk5 h GLU 151 N 0.66 0.62 0.00 2.33 5.08 -0.58 -2.58 114.58 120.12 1lk5 h GLU 151 Ca 0.17 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1lk5 h GLU 151 Cb 0.18 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1lk5 h GLU 151 CO -0.02 0.67 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.39 1lk5 h LEU 152 N 0.58 0.00 -2.44 1.33 3.38 -0.86 -2.58 115.31 114.71 1lk5 h LEU 152 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1lk5 h LEU 152 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1lk5 h LEU 152 CO 0.02 0.21 -0.02 0.77 0.09 0.00 0.00 178.44 179.51 1lk5 h SER 153 N 0.00 0.00 -0.85 -0.43 4.64 -1.24 -1.51 113.55 114.16 1lk5 h SER 153 Ca -0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1lk5 h SER 153 Cb 0.53 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.58 1lk5 h SER 153 CO 0.03 0.02 0.56 0.40 -0.87 0.00 0.00 176.83 176.97 1lk5 h ILE 154 N 0.00 1.18 -0.33 0.95 1.08 -1.58 -1.04 117.51 117.77 1lk5 h ILE 154 Ca -0.00 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 1lk5 h ILE 154 Cb 0.07 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 33.80 1lk5 h ILE 154 CO 0.00 0.20 0.00 0.49 -0.69 0.00 0.00 178.15 178.15 1lk5 n PHE 155 N -4.43 0.48 -2.59 1.37 3.72 -0.59 -4.91 117.46 110.52 1lk5 n PHE 155 Ca 0.10 -0.23 -0.17 0.00 -0.05 0.00 0.00 57.45 57.10 1lk5 n PHE 155 Cb 0.06 -0.02 0.01 0.00 -0.94 0.00 0.00 39.48 38.59 1lk5 n PHE 155 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1lk5 n ASN 156 N 0.46 -5.08 -4.78 4.37 5.15 -0.39 -4.92 115.26 110.06 1lk5 n ASN 156 Ca 0.11 -0.12 -0.39 0.00 -0.60 0.00 0.00 54.58 53.58 1lk5 n ASN 156 Cb 0.31 -4.06 -0.06 0.00 -0.53 0.00 0.00 39.78 35.45 1lk5 n ASN 156 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1lk5 s ALA 157 N -2.94 3.48 -0.49 5.20 0.00 -1.09 -4.48 121.76 121.45 1lk5 s ALA 157 Ca 0.12 0.18 -0.19 0.00 0.00 0.00 0.00 51.96 52.07 1lk5 s ALA 157 Cb -0.05 -2.82 0.05 0.00 0.00 0.00 0.00 23.12 20.29 1lk5 s ALA 157 CO 0.15 0.26 0.59 0.21 0.00 0.00 0.00 175.76 176.97 1lk5 s LYS 158 N -0.73 3.13 -0.09 0.00 2.20 -0.12 -4.25 119.74 119.88 1lk5 s LYS 158 Ca 0.33 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 55.13 1lk5 s LYS 158 Cb -0.20 -4.06 -0.02 0.00 -1.51 0.00 0.00 37.83 32.03 1lk5 s LYS 158 CO 0.22 -1.14 -0.16 0.00 -0.36 0.00 0.00 175.35 173.90 1lk5 s ALA 159 N 2.54 2.52 0.02 3.13 0.00 -1.26 -1.06 121.76 127.65 1lk5 s ALA 159 Ca 0.15 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.21 1lk5 s ALA 159 Cb -0.19 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 1lk5 s ALA 159 CO 0.13 0.37 -0.13 -1.21 0.00 0.00 0.00 175.76 174.91 1lk5 s GLU 160 N -0.04 0.93 -0.02 0.00 2.02 -0.68 -4.96 118.70 115.95 1lk5 s GLU 160 Ca -0.04 -0.65 -0.30 0.00 0.02 0.00 0.00 54.97 54.00 1lk5 s GLU 160 Cb -0.14 -0.91 -0.05 0.00 0.10 0.00 0.00 34.13 33.13 1lk5 s GLU 160 CO 0.04 0.23 1.33 -1.17 0.02 0.00 0.00 175.26 175.71 1lk5 s LEU 161 N -0.87 4.30 0.06 1.80 2.96 -1.26 -0.64 118.68 125.03 1lk5 s LEU 161 Ca 0.02 2.00 -0.31 0.00 -0.22 0.00 0.00 54.13 55.62 1lk5 s LEU 161 Cb -0.07 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 43.01 1lk5 s LEU 161 CO 0.01 -0.67 1.21 -0.60 -1.32 0.00 0.00 176.35 174.98 1lk5 s ARG 162 N 2.35 4.42 0.05 1.98 3.52 0.21 -4.93 118.95 126.54 1lk5 s ARG 162 Ca 0.61 1.79 0.02 0.00 -0.13 0.00 0.00 55.73 58.02 1lk5 s ARG 162 Cb -0.29 -3.35 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 1lk5 s ARG 162 CO 0.25 -0.28 0.04 -1.64 -0.81 0.00 0.00 175.30 172.86 1lk5 s MET 163 N 1.10 2.83 0.54 5.12 -1.94 -1.26 -1.20 119.30 124.48 1lk5 s MET 163 Ca 0.59 -0.66 -0.18 0.00 -1.71 0.00 0.00 55.69 53.73 1lk5 s MET 163 Cb -0.30 -2.70 -0.06 0.00 2.01 0.00 0.00 34.83 33.78 1lk5 s MET 163 CO 0.29 0.59 1.04 0.20 -0.01 0.00 0.00 175.02 177.13 1lk5 s GLY 164 N -2.05 2.27 -0.14 -0.03 0.00 0.54 -4.53 107.32 103.39 1lk5 s GLY 164 Ca 0.25 0.45 -0.05 0.00 0.00 0.00 0.00 44.72 45.37 1lk5 s GLY 164 CO 0.17 0.76 -0.17 -0.62 0.00 0.00 0.00 173.10 173.24 1lk5 n VAL 165 N -1.52 0.79 0.45 1.40 0.31 -1.26 -4.61 118.33 113.89 1lk5 n VAL 165 Ca 0.09 -0.22 0.06 0.00 -0.01 0.00 0.00 64.34 64.25 1lk5 n VAL 165 Cb 0.53 -1.54 0.20 0.00 -0.91 0.00 0.00 33.84 32.11 1lk5 n VAL 165 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1lk5 n ASN 166 N -3.49 2.66 -3.92 4.52 3.02 -1.26 -4.76 115.26 112.03 1lk5 n ASN 166 Ca -0.27 -2.15 -0.09 0.00 -0.03 0.00 0.00 54.58 52.04 1lk5 n ASN 166 Cb 0.71 -0.37 -0.09 0.00 -0.61 0.00 0.00 39.78 39.42 1lk5 n ASN 166 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1lk5 s LYS 167 N -1.59 0.69 0.70 3.52 -2.85 -1.26 -5.16 119.74 113.78 1lk5 s LYS 167 Ca 0.29 -0.87 -0.11 0.00 -1.00 0.00 0.00 55.97 54.28 1lk5 s LYS 167 Cb 0.17 0.27 0.01 0.00 -2.06 0.00 0.00 37.83 36.22 1lk5 s LYS 167 CO 0.16 -0.19 1.08 -0.51 0.10 0.00 0.00 175.35 176.00 1lk5 s ASP 168 N -2.47 5.50 0.32 0.03 1.01 -1.26 -4.26 116.67 115.54 1lk5 s ASP 168 Ca -0.00 1.23 0.00 0.00 0.71 0.00 0.00 52.55 54.49 1lk5 s ASP 168 Cb 0.02 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 41.87 1lk5 s ASP 168 CO -0.07 -1.32 0.00 0.61 0.21 0.00 0.00 175.17 174.60 1lk5 n GLY 169 N -2.80 -1.70 3.76 0.21 0.00 -1.26 -4.77 105.19 98.63 1lk5 n GLY 169 Ca 0.07 -1.28 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 1lk5 n GLY 169 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1lk5 s PRO 170 N 0.00 3.16 0.31 1.61 0.02 -1.26 -0.34 135.00 138.50 1lk5 s PRO 170 Ca 0.00 1.79 -0.30 0.00 0.02 0.00 0.00 61.00 62.51 1lk5 s PRO 170 Cb 0.00 -2.02 -0.12 0.00 0.02 0.00 0.00 34.50 32.39 1lk5 s PRO 170 CO 0.00 -1.04 1.57 0.28 -0.33 0.00 0.00 177.00 177.48 1lk5 n VAL 171 N -1.36 1.19 -4.43 3.83 0.31 -0.34 -4.39 118.33 113.13 1lk5 n VAL 171 Ca 0.12 -0.30 -0.34 0.00 -0.01 0.00 0.00 64.34 63.82 1lk5 n VAL 171 Cb 0.49 -1.94 -0.12 0.00 -0.91 0.00 0.00 33.84 31.36 1lk5 n VAL 171 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1lk5 s ILE 172 N -0.20 3.84 0.95 2.52 -1.09 -1.26 -4.25 121.20 121.72 1lk5 s ILE 172 Ca 0.62 -0.38 -0.14 0.00 -2.23 0.00 0.00 60.65 58.53 1lk5 s ILE 172 Cb -0.50 -2.68 0.17 0.00 -1.58 0.00 0.00 42.46 37.87 1lk5 s ILE 172 CO 0.51 0.50 1.17 0.42 -1.23 0.00 0.00 174.94 176.31 1lk5 s THR 173 N 0.34 1.94 0.62 2.92 -4.23 0.42 -4.88 115.64 112.77 1lk5 s THR 173 Ca -0.04 0.00 0.36 0.00 -1.18 0.00 0.00 61.69 60.82 1lk5 s THR 173 Cb -0.14 -2.77 0.39 0.00 1.34 0.00 0.00 72.50 71.32 1lk5 s THR 173 CO 0.03 0.00 2.30 0.44 -0.54 0.00 0.00 174.62 176.86 1lk5 h ASP 174 N -1.64 0.00 -0.50 3.99 3.32 -1.90 -1.05 116.42 118.64 1lk5 h ASP 174 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1lk5 h ASP 174 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1lk5 h ASP 174 CO 0.54 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.65 1lk5 n ASN 175 N -3.55 2.97 0.00 6.45 4.13 -1.26 -4.93 115.26 119.07 1lk5 n ASN 175 Ca -0.03 -1.97 0.00 0.00 1.68 0.00 0.00 54.58 54.26 1lk5 n ASN 175 Cb 0.08 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 37.99 1lk5 n ASN 175 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1lk5 n GLY 176 N 1.40 0.54 3.97 7.41 0.00 -0.40 -5.05 105.19 113.05 1lk5 n GLY 176 Ca 0.19 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 1lk5 n GLY 176 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lk5 s ASN 177 N -2.25 5.33 0.43 1.61 0.01 -1.26 -4.77 114.94 114.04 1lk5 s ASN 177 Ca 0.00 -0.64 0.01 0.00 -0.71 0.00 0.00 52.86 51.52 1lk5 s ASN 177 Cb 0.00 -0.41 -0.01 0.00 0.41 0.00 0.00 41.25 41.24 1lk5 s ASN 177 CO 0.00 -0.85 0.65 -0.36 -1.51 0.00 0.00 177.10 175.03 1lk5 s PHE 178 N -2.46 3.22 -0.10 2.20 0.08 -0.61 -0.43 117.98 119.88 1lk5 s PHE 178 Ca 0.53 0.19 0.03 0.00 0.12 0.00 0.00 56.93 57.80 1lk5 s PHE 178 Cb -0.07 -2.26 0.01 0.00 -0.57 0.00 0.00 43.02 40.13 1lk5 s PHE 178 CO 0.32 -0.30 -0.18 0.42 -0.10 0.00 0.00 175.22 175.38 1lk5 s ILE 179 N -2.51 1.62 -0.16 0.64 -1.09 -1.26 -1.22 121.20 117.22 1lk5 s ILE 179 Ca 0.48 -0.74 -0.05 0.00 -2.23 0.00 0.00 60.65 58.10 1lk5 s ILE 179 Cb -0.10 -1.45 -0.03 0.00 -1.58 0.00 0.00 42.46 39.30 1lk5 s ILE 179 CO 0.37 0.46 0.00 -0.63 -1.23 0.00 0.00 174.94 173.92 1lk5 s ILE 180 N 0.69 4.26 -0.33 2.92 1.01 -0.07 -0.62 121.20 129.05 1lk5 s ILE 180 Ca -0.12 -0.23 -0.13 0.00 0.00 0.00 0.00 60.65 60.17 1lk5 s ILE 180 Cb -0.16 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 1lk5 s ILE 180 CO 0.03 0.48 0.24 -1.81 0.00 0.00 0.00 174.94 173.89 1lk5 s ASP 181 N 0.33 6.06 -0.26 3.58 1.01 0.19 -0.04 116.67 127.54 1lk5 s ASP 181 Ca -0.01 -0.37 -0.04 0.00 0.71 0.00 0.00 52.55 52.83 1lk5 s ASP 181 Cb -0.13 -2.14 0.01 0.00 1.01 0.00 0.00 42.92 41.67 1lk5 s ASP 181 CO 0.02 -0.22 0.01 0.00 0.21 0.00 0.00 175.17 175.18 1lk5 s ALA 182 N 1.74 2.90 -0.45 5.23 0.00 -0.07 -1.68 121.76 129.43 1lk5 s ALA 182 Ca 0.06 -1.40 -0.16 0.00 0.00 0.00 0.00 51.96 50.46 1lk5 s ALA 182 Cb -0.17 -1.91 0.05 0.00 0.00 0.00 0.00 23.12 21.08 1lk5 s ALA 182 CO 0.11 -0.79 0.39 0.21 0.00 0.00 0.00 175.76 175.67 1lk5 s LYS 183 N 1.44 3.01 0.30 0.00 2.47 -0.23 -0.15 119.74 126.57 1lk5 s LYS 183 Ca 0.02 -1.12 -0.12 0.00 -1.56 0.00 0.00 55.97 53.20 1lk5 s LYS 183 Cb -0.16 -4.06 -0.08 0.00 -1.46 0.00 0.00 37.83 32.07 1lk5 s LYS 183 CO -0.01 -0.93 0.66 -0.06 0.16 0.00 0.00 175.35 175.17 1lk5 s PHE 184 N 1.81 3.41 0.22 4.03 0.40 -1.26 -0.95 117.98 125.65 1lk5 s PHE 184 Ca 0.06 1.03 -0.08 0.00 -0.60 0.00 0.00 56.93 57.34 1lk5 s PHE 184 Cb -0.21 -2.39 0.25 0.00 0.51 0.00 0.00 43.02 41.18 1lk5 s PHE 184 CO 0.09 0.13 1.85 -1.35 0.70 0.00 0.00 175.22 176.65 1lk5 h PRO 185 N 2.16 0.91 -2.19 0.24 0.11 -1.88 -3.46 132.00 127.89 1lk5 h PRO 185 Ca -0.47 -0.05 0.08 0.00 0.11 0.00 0.00 66.00 65.66 1lk5 h PRO 185 Cb 1.18 -0.21 -0.17 0.00 0.11 0.00 0.00 31.00 31.91 1lk5 h PRO 185 CO 0.66 0.60 0.46 -0.98 -0.21 0.00 0.00 178.00 178.54 1lk5 s ARG 186 N -6.10 0.83 -0.38 1.05 1.70 -1.26 -4.61 118.95 110.18 1lk5 s ARG 186 Ca -0.13 -0.19 0.03 0.00 -0.47 0.00 0.00 55.73 54.97 1lk5 s ARG 186 Cb 0.17 0.39 0.11 0.00 -0.57 0.00 0.00 34.95 35.04 1lk5 s ARG 186 CO 0.78 -0.34 0.11 0.42 -1.08 0.00 0.00 175.30 175.19 1lk5 s ILE 187 N -2.67 2.17 -0.02 4.99 1.01 -0.99 -4.95 121.20 120.74 1lk5 s ILE 187 Ca 0.02 -2.48 0.21 0.00 0.00 0.00 0.00 60.65 58.40 1lk5 s ILE 187 Cb -0.01 -2.58 0.20 0.00 0.01 0.00 0.00 42.46 40.08 1lk5 s ILE 187 CO -0.06 -0.67 1.69 0.44 0.00 0.00 0.00 174.94 176.34 1lk5 h ASP 188 N 7.36 0.00 -2.60 3.58 3.32 -2.00 -3.37 116.42 122.71 1lk5 h ASP 188 Ca -0.06 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.39 1lk5 h ASP 188 Cb 0.99 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.14 1lk5 h ASP 188 CO 0.55 0.28 -0.81 -0.67 -1.72 0.00 0.00 179.24 176.87 1lk5 n ASP 189 N -3.30 1.16 -0.14 6.45 -0.08 -1.26 -5.00 116.55 114.38 1lk5 n ASP 189 Ca 0.01 -2.78 -0.04 0.00 -1.51 0.00 0.00 54.79 50.47 1lk5 n ASP 189 Cb 0.53 -0.64 0.02 0.00 2.34 0.00 0.00 41.12 43.37 1lk5 n ASP 189 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1lk5 h PRO 190 N 5.33 -0.08 -0.42 -0.67 0.11 -2.00 -2.13 132.00 132.15 1lk5 h PRO 190 Ca 0.21 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 1lk5 h PRO 190 Cb 0.83 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 1lk5 h PRO 190 CO 0.54 -0.05 0.22 1.25 -0.21 0.00 0.00 178.00 179.75 1lk5 h LEU 191 N -0.08 0.53 -0.89 2.35 5.85 -1.94 0.22 115.31 121.35 1lk5 h LEU 191 Ca 0.22 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1lk5 h LEU 191 Cb 0.41 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1lk5 h LEU 191 CO -0.51 0.48 0.25 0.44 -0.34 0.00 0.00 178.44 178.76 1lk5 h ASP 192 N 0.54 0.99 -0.31 1.25 3.32 -1.97 -1.44 116.42 118.79 1lk5 h ASP 192 Ca 0.15 -0.16 -0.14 0.00 0.02 0.00 0.00 57.03 56.89 1lk5 h ASP 192 Cb 0.08 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1lk5 h ASP 192 CO -0.02 0.90 -0.33 -0.03 -1.72 0.00 0.00 179.24 178.03 1lk5 h MET 193 N 1.03 0.84 -0.48 3.56 4.05 -0.95 -0.16 114.93 122.82 1lk5 h MET 193 Ca 0.23 -0.41 0.04 0.00 -0.28 0.00 0.00 59.70 59.29 1lk5 h MET 193 Cb 0.25 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.00 1lk5 h MET 193 CO -0.01 1.05 0.24 1.49 0.23 0.00 0.00 176.91 179.90 1lk5 h GLU 194 N 0.70 0.46 -0.06 0.39 4.81 -0.25 -0.15 114.58 120.49 1lk5 h GLU 194 Ca 0.07 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1lk5 h GLU 194 Cb 0.89 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.17 1lk5 h GLU 194 CO 0.08 0.30 -0.03 0.82 -0.73 0.00 0.00 179.01 179.46 1lk5 h ILE 195 N 0.47 1.33 -0.56 2.32 2.04 -1.16 -2.65 117.51 119.31 1lk5 h ILE 195 Ca 0.21 -1.04 0.10 0.00 1.00 0.00 0.00 64.86 65.13 1lk5 h ILE 195 Cb 0.12 1.91 -0.08 0.00 -0.74 0.00 0.00 36.82 38.04 1lk5 h ILE 195 CO -0.15 0.28 0.14 -0.08 0.00 0.00 0.00 178.15 178.34 1lk5 h GLU 196 N -0.27 0.27 -0.55 2.37 4.57 -0.75 -1.63 114.58 118.58 1lk5 h GLU 196 Ca 0.01 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1lk5 h GLU 196 Cb 0.47 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.97 1lk5 h GLU 196 CO 0.01 0.18 0.31 -0.07 -1.18 0.00 0.00 179.01 178.26 1lk5 h LEU 197 N 0.28 0.68 -1.95 1.64 3.38 -1.00 -2.25 115.31 116.09 1lk5 h LEU 197 Ca 0.28 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1lk5 h LEU 197 Cb 0.39 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1lk5 h LEU 197 CO -0.35 0.57 -0.07 0.78 0.09 0.00 0.00 178.44 179.46 1lk5 h ASN 198 N 0.74 0.00 0.12 -0.43 2.35 -1.02 -2.06 115.58 115.28 1lk5 h ASN 198 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1lk5 h ASN 198 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1lk5 h ASN 198 CO -0.03 0.07 -0.01 0.35 -1.65 0.00 0.00 177.43 176.16 1lk5 n THR 199 N -3.34 0.00 -2.80 2.81 -2.24 -0.68 -4.75 114.28 103.29 1lk5 n THR 199 Ca -0.01 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 1lk5 n THR 199 Cb 0.24 -0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.06 1lk5 n THR 199 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1lk5 s ILE 200 N -2.13 4.79 0.08 2.28 1.01 -0.78 -4.98 121.20 121.48 1lk5 s ILE 200 Ca 0.43 1.78 -0.32 0.00 0.00 0.00 0.00 60.65 62.54 1lk5 s ILE 200 Cb 0.21 -4.21 -0.11 0.00 0.01 0.00 0.00 42.46 38.37 1lk5 s ILE 200 CO 0.39 -0.07 1.82 -2.65 0.00 0.00 0.00 174.94 174.43 1lk5 n PRO 201 N 5.77 2.59 0.00 2.79 -0.02 -1.26 -1.16 135.00 143.71 1lk5 n PRO 201 Ca 0.08 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 1lk5 n PRO 201 Cb 0.48 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 1lk5 n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lk5 n GLY 202 N 4.18 2.46 3.67 -1.23 0.00 -1.26 -5.01 105.19 108.00 1lk5 n GLY 202 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1lk5 n GLY 202 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lk5 s VAL 203 N -2.33 4.88 -0.06 1.61 1.01 -0.31 -1.48 120.40 123.73 1lk5 s VAL 203 Ca 0.00 1.63 0.19 0.00 0.00 0.00 0.00 61.98 63.80 1lk5 s VAL 203 Cb 0.00 -4.14 -0.28 0.00 0.00 0.00 0.00 36.38 31.96 1lk5 s VAL 203 CO 0.00 0.03 0.34 2.30 0.00 0.00 0.00 175.10 177.77 1lk5 n ILE 204 N 4.74 0.29 -3.50 2.22 -5.35 -0.14 -4.80 119.36 112.81 1lk5 n ILE 204 Ca 0.04 -0.52 -0.10 0.00 -0.27 0.00 0.00 62.75 61.90 1lk5 n ILE 204 Cb 0.49 -0.08 -0.03 0.00 -1.74 0.00 0.00 39.64 38.28 1lk5 n ILE 204 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1lk5 s GLU 205 N -3.14 0.87 0.10 6.28 2.56 -1.22 -5.03 118.70 119.13 1lk5 s GLU 205 Ca -0.08 -0.21 0.02 0.00 0.00 0.00 0.00 54.97 54.71 1lk5 s GLU 205 Cb 0.11 0.40 -0.04 0.00 2.00 0.00 0.00 34.13 36.60 1lk5 s GLU 205 CO 0.79 -0.36 -0.08 0.54 -0.56 0.00 0.00 175.26 175.60 1lk5 s ASN 206 N -2.19 1.25 0.00 -1.70 2.20 -1.26 -1.16 114.94 112.08 1lk5 s ASN 206 Ca 0.02 -0.96 0.28 0.00 -0.94 0.00 0.00 52.86 51.26 1lk5 s ASN 206 Cb -0.01 0.07 1.60 0.00 -2.00 0.00 0.00 41.25 40.91 1lk5 s ASN 206 CO -0.06 -0.41 2.00 0.61 -2.94 0.00 0.00 177.10 176.30 1lk5 n GLY 207 N 0.10 -0.95 3.65 0.45 0.00 0.76 -4.70 105.19 104.50 1lk5 n GLY 207 Ca -0.13 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1lk5 n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lk5 s ILE 208 N -2.14 4.29 -0.67 -0.61 1.01 -1.26 -0.49 121.20 121.33 1lk5 s ILE 208 Ca 0.38 1.52 -0.03 0.00 0.00 0.00 0.00 60.65 62.52 1lk5 s ILE 208 Cb 0.19 -4.13 0.17 0.00 0.01 0.00 0.00 42.46 38.70 1lk5 s ILE 208 CO 0.35 -0.30 0.49 -0.36 0.00 0.00 0.00 174.94 175.12 1lk5 s PHE 209 N 3.81 3.46 -0.01 3.97 0.40 0.11 -4.92 117.98 124.80 1lk5 s PHE 209 Ca 0.53 -2.75 -0.02 0.00 -0.60 0.00 0.00 56.93 54.09 1lk5 s PHE 209 Cb -0.18 -3.21 -0.04 0.00 0.51 0.00 0.00 43.02 40.10 1lk5 s PHE 209 CO 0.17 -0.82 0.14 0.00 0.70 0.00 0.00 175.22 175.40 1lk5 s ALA 210 N -0.26 3.80 -1.47 5.36 0.00 -1.26 -0.95 121.76 126.98 1lk5 s ALA 210 Ca 0.18 -0.81 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 1lk5 s ALA 210 Cb -0.18 -1.76 0.06 0.00 0.00 0.00 0.00 23.12 21.24 1lk5 s ALA 210 CO -0.05 0.72 0.88 -0.25 0.00 0.00 0.00 175.76 177.07 1lk5 n ASP 211 N 1.08 -3.61 0.00 0.00 9.92 -1.26 -4.82 116.55 117.85 1lk5 n ASP 211 Ca -0.12 -0.80 0.00 0.00 -0.53 0.00 0.00 54.79 53.34 1lk5 n ASP 211 Cb 0.53 -3.88 0.00 0.00 -0.64 0.00 0.00 41.12 37.13 1lk5 n ASP 211 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1lk5 n ILE 212 N -4.56 0.00 -1.99 0.53 3.06 -1.26 -5.07 119.36 110.06 1lk5 n ILE 212 Ca -0.07 0.00 -0.41 0.00 -2.50 0.00 0.00 62.75 59.77 1lk5 n ILE 212 Cb 0.57 -0.17 -0.02 0.00 0.54 0.00 0.00 39.64 40.57 1lk5 n ILE 212 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1lk5 s ALA 213 N -1.30 3.61 -0.25 1.51 0.00 -1.26 -4.65 121.76 119.41 1lk5 s ALA 213 Ca 0.00 1.36 -0.01 0.00 0.00 0.00 0.00 51.96 53.31 1lk5 s ALA 213 Cb 0.00 -3.56 -0.17 0.00 0.00 0.00 0.00 23.12 19.40 1lk5 s ALA 213 CO 0.00 -0.77 -0.21 -0.25 0.00 0.00 0.00 175.76 174.53 1lk5 n ASP 214 N 1.91 1.99 -3.83 0.00 8.00 -0.40 -4.89 116.55 119.33 1lk5 n ASP 214 Ca 0.05 -0.05 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 1lk5 n ASP 214 Cb 0.40 -0.50 -0.16 0.00 -0.02 0.00 0.00 41.12 40.84 1lk5 n ASP 214 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1lk5 s ILE 215 N -2.52 0.16 -0.23 0.53 1.01 -1.05 -3.91 121.20 115.19 1lk5 s ILE 215 Ca -0.35 0.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 1lk5 s ILE 215 Cb 0.10 -0.24 0.00 0.00 0.01 0.00 0.00 42.46 42.33 1lk5 s ILE 215 CO 0.60 0.12 -0.05 -0.69 0.00 0.00 0.00 174.94 174.92 1lk5 s VAL 216 N 0.82 3.20 -0.31 2.92 1.01 -0.17 -0.30 120.40 127.56 1lk5 s VAL 216 Ca -0.08 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.13 1lk5 s VAL 216 Cb -0.11 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1lk5 s VAL 216 CO -0.01 0.37 0.26 -0.63 0.00 0.00 0.00 175.10 175.09 1lk5 s ILE 217 N 1.44 5.26 -0.25 2.22 1.01 0.77 -0.06 121.20 131.59 1lk5 s ILE 217 Ca 0.05 0.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.69 1lk5 s ILE 217 Cb -0.15 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 1lk5 s ILE 217 CO -0.04 0.09 0.08 -0.69 0.00 0.00 0.00 174.94 174.38 1lk5 s VAL 218 N 1.83 4.43 -0.21 2.92 1.01 0.14 -1.61 120.40 128.90 1lk5 s VAL 218 Ca 0.09 -0.13 -0.25 0.00 0.00 0.00 0.00 61.98 61.68 1lk5 s VAL 218 Cb -0.17 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 1lk5 s VAL 218 CO 0.11 0.33 0.84 -0.83 0.00 0.00 0.00 175.10 175.55 1lk5 s GLY 219 N 1.63 1.90 0.52 4.51 0.00 0.26 -1.50 107.32 114.64 1lk5 s GLY 219 Ca 0.06 -0.05 0.05 0.00 0.00 0.00 0.00 44.72 44.78 1lk5 s GLY 219 CO 0.04 1.77 0.30 -0.51 0.00 0.00 0.00 173.10 174.70 1lk5 s THR 220 N 2.57 1.66 0.52 0.90 -4.23 0.31 -0.50 115.64 116.87 1lk5 s THR 220 Ca 0.37 -1.61 0.27 0.00 -1.18 0.00 0.00 61.69 59.53 1lk5 s THR 220 Cb -0.16 -2.27 0.32 0.00 1.34 0.00 0.00 72.50 71.73 1lk5 s THR 220 CO 0.09 0.00 2.17 0.03 -0.54 0.00 0.00 174.62 176.38 1lk5 h ARG 221 N 0.95 0.00 0.00 3.99 3.08 -1.95 -3.22 114.38 117.23 1lk5 h ARG 221 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1lk5 h ARG 221 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1lk5 h ARG 221 CO 0.62 0.05 -1.57 -0.85 -1.07 0.00 0.00 179.97 177.15 1lk5 n GLU 222 N -3.88 0.58 -2.04 0.04 0.00 -1.26 -0.49 120.64 113.59 1lk5 n GLU 222 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 57.16 57.02 1lk5 n GLU 222 Cb 0.14 -1.32 0.00 0.00 0.00 0.00 0.00 31.44 30.26 1lk5 n GLU 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1lk5 n GLY 223 N 1.68 -0.59 3.58 -1.84 0.00 -1.22 -5.00 105.19 101.80 1lk5 n GLY 223 Ca -0.02 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 1lk5 n GLY 223 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lk5 s VAL 224 N -3.40 3.57 0.06 1.61 1.01 -1.26 -0.53 120.40 121.45 1lk5 s VAL 224 Ca 0.00 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.26 1lk5 s VAL 224 Cb 0.00 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1lk5 s VAL 224 CO 0.00 0.41 -0.19 -0.75 0.00 0.00 0.00 175.10 174.57 1lk5 s LYS 225 N -1.36 1.17 -0.15 2.72 2.20 -0.56 -4.99 119.74 118.76 1lk5 s LYS 225 Ca 0.16 -0.96 0.01 0.00 -0.36 0.00 0.00 55.97 54.82 1lk5 s LYS 225 Cb -0.11 -1.30 0.00 0.00 -1.51 0.00 0.00 37.83 34.92 1lk5 s LYS 225 CO 0.07 0.32 -0.17 0.15 -0.36 0.00 0.00 175.35 175.35 1lk5 s LYS 226 N -1.42 3.14 -0.13 4.03 1.02 -1.26 -0.68 119.74 124.44 1lk5 s LYS 226 Ca 0.05 -0.79 -0.03 0.00 0.02 0.00 0.00 55.97 55.22 1lk5 s LYS 226 Cb -0.09 -2.58 -0.03 0.00 -0.52 0.00 0.00 37.83 34.61 1lk5 s LYS 226 CO 0.02 -0.02 -0.01 -0.51 -0.92 0.00 0.00 175.35 173.91 1lk5 s LEU 227 N 0.88 3.45 0.16 3.17 1.43 0.92 -4.97 118.68 123.72 1lk5 s LEU 227 Ca -0.04 0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.12 1lk5 s LEU 227 Cb -0.15 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1lk5 s LEU 227 CO -0.02 0.26 -0.11 -1.61 0.23 0.00 0.00 176.35 175.10 1lk5 s GLU 228 N -0.16 1.12 0.00 1.70 2.02 -1.26 -1.00 118.70 121.12 1lk5 s GLU 228 Ca 0.04 -1.48 0.22 0.00 0.02 0.00 0.00 54.97 53.77 1lk5 s GLU 228 Cb -0.13 -0.74 0.17 0.00 0.10 0.00 0.00 34.13 33.54 1lk5 s GLU 228 CO 0.02 0.10 1.19 -2.13 0.02 0.00 0.00 175.26 174.46