#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lw3 s ALA -2 N 0.00 -1.39 0.35 4.61 0.00 -1.26 -4.96 121.76 119.11 3lw3 s ALA -2 Ca 0.00 0.91 0.10 0.00 0.00 0.00 0.00 51.96 52.98 3lw3 s ALA -2 Cb 0.00 0.06 0.86 0.00 0.00 0.00 0.00 23.12 24.04 3lw3 s ALA -2 CO 0.00 -0.34 1.82 1.98 0.00 0.00 0.00 175.76 179.22 3lw3 h MET -1 N 3.28 0.63 -0.00 0.00 1.85 -2.06 0.15 114.93 118.77 3lw3 h MET -1 Ca -0.28 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 58.77 3lw3 h MET -1 Cb 1.16 -0.14 -0.00 0.00 0.43 0.00 0.00 31.60 33.05 3lw3 h MET -1 CO 0.40 0.42 0.00 0.93 -0.40 0.00 0.00 176.91 178.26 3lw3 h GLU 0 N 0.65 0.00 0.01 0.39 3.07 -2.00 -2.62 114.58 114.09 3lw3 h GLU 0 Ca 0.51 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 59.12 3lw3 h GLU 0 Cb 0.93 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.86 3lw3 h GLU 0 CO -0.27 0.00 -1.03 0.52 -1.40 0.00 0.00 179.01 176.83 3lw3 h MET 1 N 0.00 0.58 -7.43 2.33 2.86 -1.08 -3.42 114.93 108.77 3lw3 h MET 1 Ca 0.00 -0.65 -0.43 0.00 -2.06 0.00 0.00 59.70 56.56 3lw3 h MET 1 Cb 0.01 0.19 0.17 0.00 0.06 0.00 0.00 31.60 32.03 3lw3 h MET 1 CO -0.00 1.25 0.19 -0.80 1.06 0.00 0.00 176.91 178.61 3lw3 s ASN 2 N -7.23 1.84 0.00 1.22 0.01 -0.99 -4.84 114.94 104.96 3lw3 s ASN 2 Ca -0.08 0.80 0.00 0.00 -0.71 0.00 0.00 52.86 52.86 3lw3 s ASN 2 Cb 0.07 -1.19 0.00 0.00 0.41 0.00 0.00 41.25 40.55 3lw3 s ASN 2 CO 0.90 -3.57 0.00 0.23 -1.51 0.00 0.00 177.10 173.15 3lw3 n MET 3 N -4.41 0.00 -0.34 -0.60 2.81 -1.26 -4.67 117.12 108.65 3lw3 n MET 3 Ca 0.10 0.00 0.19 0.00 -1.81 0.00 0.00 57.70 56.18 3lw3 n MET 3 Cb 0.59 0.00 0.36 0.00 -0.71 0.00 0.00 33.22 33.46 3lw3 n MET 3 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3lw3 n ALA 4 N 1.81 0.63 -0.69 3.04 0.00 -1.26 -2.18 120.51 121.86 3lw3 n ALA 4 Ca 0.00 1.06 0.08 0.00 0.00 0.00 0.00 53.44 54.57 3lw3 n ALA 4 Cb 0.00 -0.84 0.27 0.00 0.00 0.00 0.00 19.45 18.88 3lw3 n ALA 4 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3lw3 n ASP 5 N -5.44 4.02 -4.64 0.00 5.75 -1.26 -5.01 116.55 109.98 3lw3 n ASP 5 Ca 0.27 -2.62 -0.49 0.00 -0.01 0.00 0.00 54.79 51.94 3lw3 n ASP 5 Cb 0.89 -0.49 -0.05 0.00 -1.03 0.00 0.00 41.12 40.45 3lw3 n ASP 5 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3lw3 n ALA 6 N 0.24 0.38 -1.77 2.12 0.00 -0.93 -4.90 120.51 115.65 3lw3 n ALA 6 Ca 0.20 0.47 -0.40 0.00 0.00 0.00 0.00 53.44 53.71 3lw3 n ALA 6 Cb 0.80 -2.24 0.01 0.00 0.00 0.00 0.00 19.45 18.02 3lw3 n ALA 6 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3lw3 s PRO 7 N 0.86 3.79 0.40 0.00 0.02 -1.26 -4.88 135.00 133.93 3lw3 s PRO 7 Ca 0.82 2.43 0.16 0.00 0.02 0.00 0.00 61.00 64.43 3lw3 s PRO 7 Cb -0.80 -2.73 1.04 0.00 0.02 0.00 0.00 34.50 32.03 3lw3 s PRO 7 CO 0.42 -0.74 1.82 1.25 -0.33 0.00 0.00 177.00 179.42 3lw3 h LEU 8 N 2.49 0.47 -0.53 -5.54 5.85 -1.98 -0.21 115.31 115.86 3lw3 h LEU 8 Ca -0.51 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3lw3 h LEU 8 Cb 1.26 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3lw3 h LEU 8 CO 0.62 0.16 0.00 -0.62 -0.34 0.00 0.00 178.44 178.26 3lw3 n GLU 9 N -4.58 0.18 -0.28 1.25 4.71 -1.26 -3.79 120.64 116.88 3lw3 n GLU 9 Ca 0.22 0.37 0.08 0.00 -0.01 0.00 0.00 57.16 57.82 3lw3 n GLU 9 Cb 0.74 -1.82 0.20 0.00 -1.01 0.00 0.00 31.44 29.55 3lw3 n GLU 9 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 3lw3 h GLU 10 N 0.00 0.13 -0.44 3.49 4.57 -1.38 0.12 114.58 121.07 3lw3 h GLU 10 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3lw3 h GLU 10 Cb 0.40 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 3lw3 h GLU 10 CO 0.00 0.08 0.00 0.41 -1.18 0.00 0.00 179.01 178.32 3lw3 n GLY 11 N -1.41 1.05 3.62 1.92 0.00 -1.25 -4.87 105.19 104.25 3lw3 n GLY 11 Ca 0.16 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3lw3 n GLY 11 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3lw3 s LEU 12 N -1.01 4.08 0.10 0.99 2.96 0.43 -4.91 118.68 121.32 3lw3 s LEU 12 Ca 0.29 0.76 0.22 0.00 -0.22 0.00 0.00 54.13 55.18 3lw3 s LEU 12 Cb 0.15 -3.05 -0.08 0.00 0.50 0.00 0.00 46.19 43.71 3lw3 s LEU 12 CO 0.20 -0.54 0.88 0.18 -1.32 0.00 0.00 176.35 175.75 3lw3 n LEU 13 N 6.05 0.55 -4.89 -0.68 4.77 -1.26 -4.94 117.00 116.60 3lw3 n LEU 13 Ca 0.03 0.14 -0.26 0.00 -0.03 0.00 0.00 56.01 55.89 3lw3 n LEU 13 Cb 0.48 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 3lw3 n LEU 13 CO 0.48 -0.07 -0.14 0.54 -1.33 0.00 0.00 177.39 176.87 3lw3 s VAL 14 N -3.36 5.03 -1.32 4.08 0.11 -1.26 -4.42 120.40 119.26 3lw3 s VAL 14 Ca -0.01 -0.81 -0.08 0.00 -2.93 0.00 0.00 61.98 58.15 3lw3 s VAL 14 Cb 0.12 -3.57 -0.00 0.00 -1.53 0.00 0.00 36.38 31.40 3lw3 s VAL 14 CO 0.83 -0.08 0.55 0.00 -3.33 0.00 0.00 175.10 173.06 3lw3 h THR 16 N -1.89 0.26 -0.02 0.00 1.35 -1.92 -2.25 112.91 108.45 3lw3 h THR 16 Ca -0.64 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3lw3 h THR 16 Cb 1.37 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 3lw3 h THR 16 CO 0.58 0.02 -0.27 0.54 -0.25 0.00 0.00 175.52 176.14 3lw3 n ARG 17 N -3.43 1.38 -2.20 4.72 5.12 -1.26 -4.96 116.66 116.03 3lw3 n ARG 17 Ca -0.03 -1.03 -0.42 0.00 -1.93 0.00 0.00 57.85 54.44 3lw3 n ARG 17 Cb 0.11 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 29.91 3lw3 n ARG 17 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3lw3 s LEU 18 N -2.33 4.30 -0.55 0.55 2.96 -0.85 -4.97 118.68 117.80 3lw3 s LEU 18 Ca 0.24 2.10 -0.27 0.00 -0.22 0.00 0.00 54.13 55.98 3lw3 s LEU 18 Cb 0.19 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.36 3lw3 s LEU 18 CO 0.48 -0.76 1.08 -0.62 -1.32 0.00 0.00 176.35 175.21 3lw3 s ASP 19 N 2.11 6.44 0.56 3.68 -1.08 -1.26 -4.91 116.67 122.22 3lw3 s ASP 19 Ca 0.64 0.00 0.27 0.00 -0.52 0.00 0.00 52.55 52.95 3lw3 s ASP 19 Cb -0.31 -2.50 1.49 0.00 -1.46 0.00 0.00 42.92 40.14 3lw3 s ASP 19 CO 0.26 -1.33 1.99 1.56 0.52 0.00 0.00 175.17 178.17 3lw3 h GLN 20 N 9.38 0.00 0.00 4.34 4.20 -1.93 0.42 115.11 131.52 3lw3 h GLN 20 Ca -0.25 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.46 3lw3 h GLN 20 Cb 1.06 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.84 3lw3 h GLN 20 CO 1.13 0.00 -0.00 -0.91 -0.67 0.00 0.00 178.83 178.38 3lw3 h ASN 21 N 0.00 0.00 -0.03 1.46 2.35 -1.91 -1.36 115.58 116.10 3lw3 h ASN 21 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3lw3 h ASN 21 Cb 0.95 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.32 3lw3 h ASN 21 CO -0.00 0.00 -0.00 0.18 -1.65 0.00 0.00 177.43 175.96 3lw3 n LEU 22 N -3.50 2.85 0.00 1.61 4.77 0.13 -4.84 117.00 118.02 3lw3 n LEU 22 Ca -0.03 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 3lw3 n LEU 22 Cb 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3lw3 n LEU 22 CO 0.24 0.48 0.00 0.00 -1.33 0.00 0.00 177.39 176.78 3lw3 s ALA 24 N -2.00 -2.02 -0.04 0.00 0.00 -0.76 -4.56 121.76 112.39 3lw3 s ALA 24 Ca 0.00 1.62 -0.26 0.00 0.00 0.00 0.00 51.96 53.33 3lw3 s ALA 24 Cb 0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 3lw3 s ALA 24 CO 0.00 -0.42 0.79 -2.00 0.00 0.00 0.00 175.76 174.13 3lw3 s GLU 25 N -1.70 4.48 0.05 0.00 2.12 -0.01 -4.64 118.70 119.00 3lw3 s GLU 25 Ca 0.05 1.06 -0.30 0.00 0.36 0.00 0.00 54.97 56.14 3lw3 s GLU 25 Cb -0.01 -3.44 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 3lw3 s GLU 25 CO -0.04 0.05 1.14 -1.17 -0.54 0.00 0.00 175.26 174.69 3lw3 s LEU 26 N 0.80 4.38 -0.19 2.70 2.96 -1.26 0.02 118.68 128.08 3lw3 s LEU 26 Ca 0.42 1.93 -0.05 0.00 -0.22 0.00 0.00 54.13 56.21 3lw3 s LEU 26 Cb -0.19 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.82 3lw3 s LEU 26 CO 0.22 -0.41 -0.21 -0.38 -1.32 0.00 0.00 176.35 174.25 3lw3 n ILE 27 N 3.85 1.07 -3.59 6.68 2.08 -0.11 -4.93 119.36 124.41 3lw3 n ILE 27 Ca 0.08 -0.33 -0.09 0.00 0.56 0.00 0.00 62.75 62.97 3lw3 n ILE 27 Cb 0.48 -1.50 -0.02 0.00 -0.75 0.00 0.00 39.64 37.85 3lw3 n ILE 27 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 3lw3 s SER 28 N -6.33 -0.39 0.07 4.38 1.04 -0.93 -4.97 113.70 106.57 3lw3 s SER 28 Ca -0.26 -0.20 -0.26 0.00 0.48 0.00 0.00 55.95 55.70 3lw3 s SER 28 Cb 0.09 0.56 0.08 0.00 0.10 0.00 0.00 66.02 66.85 3lw3 s SER 28 CO 0.38 -0.96 0.73 0.72 0.98 0.00 0.00 173.24 175.08 3lw3 s PHE 29 N -3.57 -0.46 0.00 5.02 -0.71 -1.26 -0.82 117.98 116.18 3lw3 s PHE 29 Ca 0.06 0.33 0.00 0.00 -1.04 0.00 0.00 56.93 56.28 3lw3 s PHE 29 Cb -0.02 0.54 0.00 0.00 -1.21 0.00 0.00 43.02 42.33 3lw3 s PHE 29 CO -0.05 -0.70 0.00 0.41 -1.34 0.00 0.00 175.22 173.54 3lw3 n GLY 30 N -0.23 3.91 3.09 1.99 0.00 0.27 -4.97 105.19 109.25 3lw3 n GLY 30 Ca -0.14 -1.70 -0.22 0.00 0.00 0.00 0.00 46.02 43.96 3lw3 n GLY 30 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3lw3 n SER 31 N 0.00 -5.37 0.00 1.61 7.64 -1.26 -1.53 113.62 114.71 3lw3 n SER 31 Ca 0.00 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.59 3lw3 n SER 31 Cb 0.00 -4.37 0.00 0.00 -1.01 0.00 0.00 64.21 58.83 3lw3 n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3lw3 n GLY 32 N -1.39 0.52 3.29 0.23 0.00 -1.26 -4.99 105.19 101.59 3lw3 n GLY 32 Ca -0.09 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 3lw3 n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lw3 s LYS 33 N -0.06 1.24 0.03 1.61 1.02 -0.58 -1.00 119.74 122.00 3lw3 s LYS 33 Ca 0.00 -1.62 -0.25 0.00 0.02 0.00 0.00 55.97 54.12 3lw3 s LYS 33 Cb 0.00 -0.42 0.06 0.00 -0.52 0.00 0.00 37.83 36.95 3lw3 s LYS 33 CO 0.00 -0.13 0.59 0.00 -0.92 0.00 0.00 175.35 174.89 3lw3 s ALA 34 N -3.56 -1.53 -0.04 5.17 0.00 -0.89 -0.56 121.76 120.35 3lw3 s ALA 34 Ca 0.27 0.83 0.02 0.00 0.00 0.00 0.00 51.96 53.09 3lw3 s ALA 34 Cb 0.06 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.53 3lw3 s ALA 34 CO 0.07 -0.51 -0.10 0.99 0.00 0.00 0.00 175.76 176.21 3lw3 s THR 35 N -2.23 0.92 0.25 0.00 2.01 0.00 -0.33 115.64 116.26 3lw3 s THR 35 Ca -0.06 -0.39 0.10 0.00 0.31 0.00 0.00 61.69 61.64 3lw3 s THR 35 Cb -0.01 -0.84 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 3lw3 s THR 35 CO 0.00 0.30 -0.16 0.68 -0.69 0.00 0.00 174.62 174.75 3lw3 s VAL 36 N 0.46 2.07 -0.11 3.82 -7.23 -0.67 -0.93 120.40 117.80 3lw3 s VAL 36 Ca -0.09 -2.29 0.01 0.00 -1.81 0.00 0.00 61.98 57.80 3lw3 s VAL 36 Cb -0.12 -2.21 0.02 0.00 0.56 0.00 0.00 36.38 34.63 3lw3 s VAL 36 CO 0.02 -0.48 -0.11 0.00 -0.31 0.00 0.00 175.10 174.22 3lw3 s LEU 38 N 1.35 3.74 -0.49 0.00 2.96 -0.04 -0.83 118.68 125.37 3lw3 s LEU 38 Ca -0.00 -0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 53.62 3lw3 s LEU 38 Cb -0.14 -2.00 0.13 0.00 0.50 0.00 0.00 46.19 44.69 3lw3 s LEU 38 CO -0.06 -0.07 0.34 0.42 -1.32 0.00 0.00 176.35 175.66 3lw3 s THR 39 N 1.66 3.95 0.46 3.68 -4.23 -1.26 -0.68 115.64 119.21 3lw3 s THR 39 Ca 0.06 -2.07 -0.25 0.00 -1.18 0.00 0.00 61.69 58.26 3lw3 s THR 39 Cb -0.16 -3.61 -0.08 0.00 1.34 0.00 0.00 72.50 69.99 3lw3 s THR 39 CO 0.06 -0.78 1.37 -2.84 -0.54 0.00 0.00 174.62 171.89 3lw3 s PRO 40 N 1.04 3.64 0.22 3.99 0.02 -1.25 -4.89 135.00 137.77 3lw3 s PRO 40 Ca 0.09 2.29 0.07 0.00 0.02 0.00 0.00 61.00 63.47 3lw3 s PRO 40 Cb -0.24 -2.58 -0.04 0.00 0.02 0.00 0.00 34.50 31.66 3lw3 s PRO 40 CO -0.03 -0.81 0.14 0.15 -0.33 0.00 0.00 177.00 176.12 3lw3 s LYS 41 N -2.51 2.80 0.32 5.54 -0.14 -1.26 -3.65 119.74 120.84 3lw3 s LYS 41 Ca 0.62 -1.05 0.08 0.00 -1.36 0.00 0.00 55.97 54.26 3lw3 s LYS 41 Cb -0.41 -2.52 0.82 0.00 -1.68 0.00 0.00 37.83 34.04 3lw3 s LYS 41 CO 0.52 0.42 1.77 0.93 -0.76 0.00 0.00 175.35 178.23 3lw3 h GLU 42 N 1.88 0.66 0.00 1.68 5.08 -2.00 0.97 114.58 122.84 3lw3 h GLU 42 Ca -0.48 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3lw3 h GLU 42 Cb 1.23 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3lw3 h GLU 42 CO 0.61 0.43 0.00 0.27 -1.00 0.00 0.00 179.01 179.33 3lw3 h PHE 43 N 0.68 0.00 -0.01 4.33 -5.15 -2.02 -2.35 116.94 112.41 3lw3 h PHE 43 Ca 0.59 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.36 3lw3 h PHE 43 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.21 3lw3 h PHE 43 CO -0.00 0.00 -0.15 -1.33 -2.00 0.00 0.00 178.31 174.82 3lw3 n MET 44 N -2.47 0.89 -2.50 6.09 2.81 0.34 -4.96 117.12 117.32 3lw3 n MET 44 Ca -0.01 -0.43 -0.40 0.00 -1.81 0.00 0.00 57.70 55.05 3lw3 n MET 44 Cb 0.10 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.08 3lw3 n MET 44 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3lw3 s LEU 45 N -2.41 4.55 -0.16 4.03 1.43 -0.89 -0.41 118.68 124.83 3lw3 s LEU 45 Ca 0.29 2.23 -0.13 0.00 -1.03 0.00 0.00 54.13 55.49 3lw3 s LEU 45 Cb 0.20 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.72 3lw3 s LEU 45 CO 0.47 -0.13 -0.05 0.00 0.23 0.00 0.00 176.35 176.88 3lw3 s GLU 47 N -2.25 2.31 0.31 0.00 0.41 -0.79 -4.99 118.70 113.70 3lw3 s GLU 47 Ca -0.18 -1.78 0.07 0.00 -0.41 0.00 0.00 54.97 52.67 3lw3 s GLU 47 Cb 0.03 -2.08 0.88 0.00 -1.78 0.00 0.00 34.13 31.18 3lw3 s GLU 47 CO 0.32 -0.16 1.64 -0.44 -0.49 0.00 0.00 175.26 176.13 3lw3 h ASP 48 N 1.30 0.12 -0.03 -0.19 3.45 -2.01 -2.75 116.42 116.30 3lw3 h ASP 48 Ca -0.42 0.21 -0.00 0.00 0.43 0.00 0.00 57.03 57.25 3lw3 h ASP 48 Cb 1.26 0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 40.28 3lw3 h ASP 48 CO 0.66 -0.20 -0.05 -0.90 -1.57 0.00 0.00 179.24 177.18 3lw3 n ASP 49 N -5.21 2.41 -3.63 6.45 5.75 -1.26 -4.84 116.55 116.22 3lw3 n ASP 49 Ca 0.26 -3.18 -0.24 0.00 -0.01 0.00 0.00 54.79 51.62 3lw3 n ASP 49 Cb 0.83 -0.45 -0.17 0.00 -1.03 0.00 0.00 41.12 40.30 3lw3 n ASP 49 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3lw3 s VAL 50 N -2.92 -0.10 0.22 2.12 1.01 -1.04 -4.31 120.40 115.38 3lw3 s VAL 50 Ca 0.34 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.04 3lw3 s VAL 50 Cb 0.30 -0.44 -0.09 0.00 0.00 0.00 0.00 36.38 36.14 3lw3 s VAL 50 CO 0.02 -0.13 1.31 -0.69 0.00 0.00 0.00 175.10 175.61 3lw3 s VAL 51 N 2.15 3.13 0.32 2.92 1.01 0.31 0.20 120.40 130.45 3lw3 s VAL 51 Ca 0.03 0.95 -0.29 0.00 0.00 0.00 0.00 61.98 62.67 3lw3 s VAL 51 Cb -0.15 -3.61 -0.11 0.00 0.00 0.00 0.00 36.38 32.51 3lw3 s VAL 51 CO -0.07 0.15 1.56 1.57 0.00 0.00 0.00 175.10 178.31 3lw3 n HIS 52 N 2.42 2.91 -0.17 5.22 -0.00 0.45 -4.63 115.22 121.43 3lw3 n HIS 52 Ca 0.05 0.32 0.22 0.00 0.46 0.00 0.00 57.72 58.77 3lw3 n HIS 52 Cb 0.43 -2.58 0.61 0.00 -0.12 0.00 0.00 29.99 28.33 3lw3 n HIS 52 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3lw3 h ALA 53 N 4.15 2.46 -0.87 1.57 0.00 -1.92 -0.77 119.26 123.88 3lw3 h ALA 53 Ca -0.48 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.49 3lw3 h ALA 53 Cb 1.23 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 3lw3 h ALA 53 CO 0.74 -0.70 0.53 0.78 0.00 0.00 0.00 179.25 180.60 3lw3 h GLY 54 N 0.20 1.33 1.36 0.00 0.00 -1.95 -0.84 103.07 103.17 3lw3 h GLY 54 Ca 0.40 -0.37 -0.19 0.00 0.00 0.00 0.00 47.33 47.17 3lw3 h GLY 54 CO -0.08 0.23 -0.68 0.74 0.00 0.00 0.00 176.54 176.75 3lw3 h PHE 55 N 0.94 0.85 0.27 5.60 0.04 -1.47 0.21 116.94 123.37 3lw3 h PHE 55 Ca 0.39 -0.35 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 3lw3 h PHE 55 Cb 0.24 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.25 3lw3 h PHE 55 CO -0.04 1.13 -0.13 0.82 -0.60 0.00 0.00 178.31 179.50 3lw3 h ILE 56 N 0.46 0.78 -0.35 -0.55 1.08 -1.31 -1.14 117.51 116.48 3lw3 h ILE 56 Ca -0.02 -0.37 -0.10 0.00 -0.39 0.00 0.00 64.86 63.98 3lw3 h ILE 56 Cb 1.27 0.99 -0.02 0.00 -3.07 0.00 0.00 36.82 35.99 3lw3 h ILE 56 CO 0.13 0.08 -0.18 0.58 -0.69 0.00 0.00 178.15 178.08 3lw3 h VAL 57 N -0.55 1.26 -0.53 1.67 2.07 -1.24 -2.33 116.25 116.60 3lw3 h VAL 57 Ca -0.04 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.28 3lw3 h VAL 57 Cb 0.40 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3lw3 h VAL 57 CO 0.06 0.40 0.34 1.23 0.02 0.00 0.00 177.57 179.63 3lw3 h GLY 58 N 0.98 0.74 0.96 2.17 0.00 -0.48 0.17 103.07 107.61 3lw3 h GLY 58 Ca 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 3lw3 h GLY 58 CO 0.04 0.26 0.19 0.00 0.00 0.00 0.00 176.54 177.04 3lw3 h ALA 59 N 1.20 0.56 -0.71 3.60 0.00 -0.99 -1.91 119.26 121.00 3lw3 h ALA 59 Ca 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3lw3 h ALA 59 Cb -0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3lw3 h ALA 59 CO -0.05 0.13 0.42 0.00 0.00 0.00 0.00 179.25 179.75 3lw3 h ALA 60 N 1.04 0.91 -0.25 0.00 0.00 -0.96 -1.34 119.26 118.66 3lw3 h ALA 60 Ca 0.15 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3lw3 h ALA 60 Cb 0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3lw3 h ALA 60 CO -0.02 0.39 0.11 0.77 0.00 0.00 0.00 179.25 180.51 3lw3 h SER 61 N 0.97 0.16 -0.05 0.00 0.02 -0.41 -0.03 113.55 114.21 3lw3 h SER 61 Ca 0.25 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 3lw3 h SER 61 Cb -0.01 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3lw3 h SER 61 CO -0.05 0.12 0.01 0.15 -1.14 0.00 0.00 176.83 175.93 3lw3 h PHE 62 N 0.24 0.03 -0.43 3.45 3.57 -1.09 -0.78 116.94 121.93 3lw3 h PHE 62 Ca 0.11 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.69 3lw3 h PHE 62 Cb 0.05 -0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.70 3lw3 h PHE 62 CO -0.11 0.01 -0.09 0.00 -2.23 0.00 0.00 178.31 175.90 3lw3 h ALA 63 N 1.03 0.30 -0.17 2.41 0.00 -0.85 -0.98 119.26 121.00 3lw3 h ALA 63 Ca 0.02 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3lw3 h ALA 63 Cb 0.01 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3lw3 h ALA 63 CO -0.02 -0.44 -0.10 0.00 0.00 0.00 0.00 179.25 178.68 3lw3 h ALA 64 N 1.43 0.04 -0.85 0.00 0.00 -0.65 -1.24 119.26 117.99 3lw3 h ALA 64 Ca 0.21 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.19 3lw3 h ALA 64 Cb 0.32 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3lw3 h ALA 64 CO -0.43 -0.53 0.55 -0.07 0.00 0.00 0.00 179.25 178.76 3lw3 h LEU 65 N -0.09 0.98 -1.43 0.00 3.38 -0.77 -2.64 115.31 114.74 3lw3 h LEU 65 Ca 0.10 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3lw3 h LEU 65 Cb 0.24 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3lw3 h LEU 65 CO -0.23 0.72 -0.28 0.00 0.09 0.00 0.00 178.44 178.73 3lw3 h ALA 67 N 1.72 1.13 0.15 0.00 0.00 -0.86 -3.12 119.26 118.28 3lw3 h ALA 67 Ca -0.00 -0.22 -0.34 0.00 0.00 0.00 0.00 54.91 54.34 3lw3 h ALA 67 Cb 0.52 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3lw3 h ALA 67 CO 0.04 0.58 -1.75 1.25 0.00 0.00 0.00 179.25 179.37 3lw3 h LEU 68 N 0.88 0.50 -1.77 0.00 5.85 -1.52 -3.32 115.31 115.93 3lw3 h LEU 68 Ca 0.19 -0.81 -0.44 0.00 0.84 0.00 0.00 57.88 57.66 3lw3 h LEU 68 Cb 0.33 -0.16 0.03 0.00 0.37 0.00 0.00 40.66 41.23 3lw3 h LEU 68 CO 0.00 1.69 -0.84 -3.20 -0.34 0.00 0.00 178.44 175.76 3lw3 n ASN 69 N -3.51 -1.12 -4.49 1.25 4.05 0.21 -4.99 115.26 106.65 3lw3 n ASN 69 Ca -0.24 -0.86 -0.33 0.00 0.45 0.00 0.00 54.58 53.60 3lw3 n ASN 69 Cb 1.06 -3.85 -0.13 0.00 1.23 0.00 0.00 39.78 38.10 3lw3 n ASN 69 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3lw3 s LYS 70 N -6.12 3.13 0.00 1.20 -0.14 -1.26 -4.63 119.74 111.92 3lw3 s LYS 70 Ca 0.03 -0.60 0.00 0.00 -1.36 0.00 0.00 55.97 54.04 3lw3 s LYS 70 Cb -0.01 -2.66 0.00 0.00 -1.68 0.00 0.00 37.83 33.48 3lw3 s LYS 70 CO 0.83 0.43 0.87 1.17 -0.76 0.00 0.00 175.35 177.89 3lw3 n LYS 71 N 2.92 0.00 -2.37 1.68 4.81 -1.26 -3.31 118.16 120.63 3lw3 n LYS 71 Ca -0.18 0.83 -0.42 0.00 -0.87 0.00 0.00 58.31 57.67 3lw3 n LYS 71 Cb 0.53 -1.37 0.00 0.00 0.02 0.00 0.00 35.03 34.21 3lw3 n LYS 71 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3lw3 n ASN 72 N -2.42 6.44 -4.36 3.14 3.02 -1.26 -4.83 115.26 115.00 3lw3 n ASN 72 Ca 0.00 -3.23 -0.28 0.00 -0.03 0.00 0.00 54.58 51.04 3lw3 n ASN 72 Cb 0.00 -1.38 -0.13 0.00 -0.61 0.00 0.00 39.78 37.66 3lw3 n ASN 72 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3lw3 s SER 73 N 0.04 3.12 0.01 6.41 1.04 -1.21 -1.00 113.70 122.10 3lw3 s SER 73 Ca 0.42 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 56.15 3lw3 s SER 73 Cb 0.12 -0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 3lw3 s SER 73 CO -0.02 0.16 -0.06 -0.76 0.98 0.00 0.00 173.24 173.53 3lw3 s LEU 74 N -1.97 2.06 -0.08 2.42 1.43 -0.34 -4.99 118.68 117.23 3lw3 s LEU 74 Ca 0.12 -0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 52.72 3lw3 s LEU 74 Cb -0.10 -0.28 -0.03 0.00 0.03 0.00 0.00 46.19 45.81 3lw3 s LEU 74 CO 0.05 0.02 1.26 -0.63 0.23 0.00 0.00 176.35 177.28 3lw3 s ILE 75 N -0.40 4.15 -0.15 -0.59 1.01 -1.26 -0.39 121.20 123.57 3lw3 s ILE 75 Ca -0.00 1.46 0.18 0.00 0.00 0.00 0.00 60.65 62.29 3lw3 s ILE 75 Cb -0.04 -3.94 -0.26 0.00 0.01 0.00 0.00 42.46 38.23 3lw3 s ILE 75 CO -0.00 -0.04 0.25 -1.54 0.00 0.00 0.00 174.94 173.61 3lw3 n SER 76 N 5.68 0.14 -3.56 3.58 3.41 -0.20 -4.93 113.62 117.74 3lw3 n SER 76 Ca 0.12 0.07 -0.08 0.00 -0.26 0.00 0.00 58.87 58.72 3lw3 n SER 76 Cb 0.45 1.02 -0.02 0.00 -0.26 0.00 0.00 64.21 65.41 3lw3 n SER 76 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3lw3 s SER 77 N -5.39 -0.34 0.02 4.04 1.04 -1.20 -5.01 113.70 106.87 3lw3 s SER 77 Ca -0.09 -0.11 -0.22 0.00 0.48 0.00 0.00 55.95 56.02 3lw3 s SER 77 Cb 0.08 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.68 3lw3 s SER 77 CO 0.84 -0.73 0.49 0.00 0.98 0.00 0.00 173.24 174.82 3lw3 s MET 78 N -3.23 0.96 -0.12 4.02 0.00 -1.26 -0.74 119.30 118.93 3lw3 s MET 78 Ca 0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 55.69 55.58 3lw3 s MET 78 Cb -0.01 0.44 0.03 0.00 0.00 0.00 0.00 34.83 35.28 3lw3 s MET 78 CO -0.06 -0.32 -0.08 0.21 0.00 0.00 0.00 175.02 174.77 3lw3 s LYS 79 N -2.05 1.53 0.01 3.16 2.36 -0.54 -5.01 119.74 119.20 3lw3 s LYS 79 Ca -0.08 -0.27 -0.02 0.00 -2.55 0.00 0.00 55.97 53.06 3lw3 s LYS 79 Cb -0.01 -1.61 -0.01 0.00 -1.05 0.00 0.00 37.83 35.15 3lw3 s LYS 79 CO 0.01 -0.27 0.02 0.14 1.55 0.00 0.00 175.35 176.80 3lw3 s VAL 80 N 1.70 0.08 -0.16 4.02 -7.23 -1.26 -1.25 120.40 116.30 3lw3 s VAL 80 Ca 0.05 -0.66 0.01 0.00 -1.81 0.00 0.00 61.98 59.57 3lw3 s VAL 80 Cb -0.13 -0.25 0.02 0.00 0.56 0.00 0.00 36.38 36.58 3lw3 s VAL 80 CO -0.08 -0.36 -0.19 0.20 -0.31 0.00 0.00 175.10 174.35 3lw3 s ASN 81 N -1.11 2.99 -0.70 4.85 0.02 0.62 -5.01 114.94 116.61 3lw3 s ASN 81 Ca -0.12 -0.59 -0.17 0.00 -1.02 0.00 0.00 52.86 50.96 3lw3 s ASN 81 Cb -0.07 -1.39 0.15 0.00 0.02 0.00 0.00 41.25 39.96 3lw3 s ASN 81 CO -0.00 0.01 0.74 -0.76 0.02 0.00 0.00 177.10 177.10 3lw3 s LEU 82 N 1.20 5.96 0.44 0.60 1.02 -1.26 -1.67 118.68 124.97 3lw3 s LEU 82 Ca 0.01 -2.00 0.25 0.00 0.02 0.00 0.00 54.13 52.41 3lw3 s LEU 82 Cb -0.14 -2.27 0.78 0.00 0.02 0.00 0.00 46.19 44.59 3lw3 s LEU 82 CO -0.09 -0.88 1.76 -0.07 0.02 0.00 0.00 176.35 177.09 3lw3 h LEU 83 N 9.09 0.00 -7.10 1.79 3.38 -1.44 -3.46 115.31 117.58 3lw3 h LEU 83 Ca -0.11 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 3lw3 h LEU 83 Cb 1.07 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.63 3lw3 h LEU 83 CO 0.98 0.17 0.10 0.00 0.09 0.00 0.00 178.44 179.78 3lw3 s ALA 84 N -3.47 -1.55 0.30 1.53 0.00 -1.21 -5.03 121.76 112.34 3lw3 s ALA 84 Ca 0.02 1.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.73 3lw3 s ALA 84 Cb 0.08 0.11 -0.10 0.00 0.00 0.00 0.00 23.12 23.22 3lw3 s ALA 84 CO 0.64 -0.39 1.16 -1.25 0.00 0.00 0.00 175.76 175.92 3lw3 s PRO 85 N -1.51 4.51 -0.04 0.00 0.04 -1.26 -4.98 135.00 131.76 3lw3 s PRO 85 Ca -0.10 1.93 0.01 0.00 0.04 0.00 0.00 61.00 62.88 3lw3 s PRO 85 Cb -0.01 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 3lw3 s PRO 85 CO 0.06 0.05 -0.05 0.42 0.04 0.00 0.00 177.00 177.53 3lw3 s ILE 86 N -1.18 3.87 0.30 0.56 -1.09 -1.26 -4.98 121.20 117.41 3lw3 s ILE 86 Ca 0.47 -0.52 0.08 0.00 -2.23 0.00 0.00 60.65 58.44 3lw3 s ILE 86 Cb -0.34 -2.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.87 3lw3 s ILE 86 CO 0.44 0.52 0.19 -1.61 -1.23 0.00 0.00 174.94 173.26 3lw3 s GLU 87 N -1.07 2.68 0.80 2.79 2.02 -1.26 -0.53 118.70 124.13 3lw3 s GLU 87 Ca 0.15 -1.27 -0.14 0.00 0.02 0.00 0.00 54.97 53.73 3lw3 s GLU 87 Cb -0.11 -2.41 0.06 0.00 0.10 0.00 0.00 34.13 31.76 3lw3 s GLU 87 CO 0.04 0.24 1.03 0.44 0.02 0.00 0.00 175.26 177.03 3lw3 n ILE 88 N -1.20 1.92 0.00 -1.63 -5.35 -1.26 -2.50 119.36 109.35 3lw3 n ILE 88 Ca -0.05 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 3lw3 n ILE 88 Cb 0.59 -1.08 0.00 0.00 -1.74 0.00 0.00 39.64 37.41 3lw3 n ILE 88 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3lw3 n LYS 89 N -2.68 0.00 -2.50 6.28 5.02 -1.24 -4.97 118.16 118.07 3lw3 n LYS 89 Ca 0.12 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.99 3lw3 n LYS 89 Cb 0.50 -0.99 -0.03 0.00 -0.02 0.00 0.00 35.03 34.50 3lw3 n LYS 89 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3lw3 s GLN 90 N -0.08 4.37 -0.34 1.97 -0.21 -1.04 -4.93 119.66 119.39 3lw3 s GLN 90 Ca 0.00 1.62 -0.27 0.00 0.02 0.00 0.00 55.36 56.73 3lw3 s GLN 90 Cb 0.00 -3.55 0.01 0.00 1.00 0.00 0.00 33.01 30.48 3lw3 s GLN 90 CO 0.00 -0.42 0.97 -1.21 -2.12 0.00 0.00 175.29 172.52 3lw3 s GLU 91 N 2.14 3.95 -0.27 2.91 2.02 -1.26 -3.92 118.70 124.27 3lw3 s GLU 91 Ca 0.54 0.78 -0.06 0.00 0.02 0.00 0.00 54.97 56.26 3lw3 s GLU 91 Cb -0.24 -3.77 -0.00 0.00 0.10 0.00 0.00 34.13 30.23 3lw3 s GLU 91 CO 0.21 -0.90 0.05 0.42 0.02 0.00 0.00 175.26 175.07 3lw3 s ILE 92 N 3.49 3.92 -0.22 -1.63 -1.09 0.15 -4.45 121.20 121.37 3lw3 s ILE 92 Ca 0.40 -0.53 -0.19 0.00 -2.23 0.00 0.00 60.65 58.11 3lw3 s ILE 92 Cb -0.12 -2.93 -0.03 0.00 -1.58 0.00 0.00 42.46 37.80 3lw3 s ILE 92 CO 0.17 0.21 0.55 -0.31 -1.23 0.00 0.00 174.94 174.33 3lw3 s TYR 93 N 1.52 3.33 -0.27 3.97 2.02 -0.11 -0.86 117.35 126.95 3lw3 s TYR 93 Ca 0.04 0.76 -0.09 0.00 -0.37 0.00 0.00 57.07 57.41 3lw3 s TYR 93 Cb -0.16 -2.73 -0.03 0.00 -0.40 0.00 0.00 41.96 38.64 3lw3 s TYR 93 CO 0.02 -0.19 0.12 -0.06 -1.57 0.00 0.00 175.55 173.86 3lw3 s PHE 94 N 1.99 3.14 -0.29 2.71 0.08 0.41 -0.22 117.98 125.81 3lw3 s PHE 94 Ca 0.24 -0.31 -0.06 0.00 0.12 0.00 0.00 56.93 56.93 3lw3 s PHE 94 Cb -0.16 -2.31 0.02 0.00 -0.57 0.00 0.00 43.02 40.00 3lw3 s PHE 94 CO 0.09 -0.33 0.05 -0.80 -0.10 0.00 0.00 175.22 174.14 3lw3 s ASN 95 N 1.66 4.96 -0.05 1.36 0.01 0.04 -1.67 114.94 121.24 3lw3 s ASN 95 Ca 0.06 -0.78 -0.04 0.00 -0.71 0.00 0.00 52.86 51.39 3lw3 s ASN 95 Cb -0.16 -1.83 -0.04 0.00 0.41 0.00 0.00 41.25 39.63 3lw3 s ASN 95 CO 0.06 -0.19 0.17 0.00 -1.51 0.00 0.00 177.10 175.63 3lw3 s ALA 96 N 1.45 3.92 -0.06 0.60 0.00 0.55 -1.52 121.76 126.71 3lw3 s ALA 96 Ca 0.02 -0.72 -0.02 0.00 0.00 0.00 0.00 51.96 51.23 3lw3 s ALA 96 Cb -0.17 -1.90 0.04 0.00 0.00 0.00 0.00 23.12 21.08 3lw3 s ALA 96 CO 0.01 0.70 0.12 0.99 0.00 0.00 0.00 175.76 177.58 3lw3 s THR 97 N -1.22 -0.05 0.18 0.00 2.01 -0.04 -2.09 115.64 114.43 3lw3 s THR 97 Ca 0.23 0.19 -0.31 0.00 0.31 0.00 0.00 61.69 62.12 3lw3 s THR 97 Cb -0.12 -0.20 -0.09 0.00 0.01 0.00 0.00 72.50 72.09 3lw3 s THR 97 CO 0.14 0.08 1.40 -0.63 -0.69 0.00 0.00 174.62 174.92 3lw3 s ILE 98 N 1.17 3.01 -0.12 1.82 1.01 -0.17 -0.91 121.20 127.01 3lw3 s ILE 98 Ca -0.09 0.78 0.14 0.00 0.00 0.00 0.00 60.65 61.48 3lw3 s ILE 98 Cb -0.12 -3.50 -0.20 0.00 0.01 0.00 0.00 42.46 38.65 3lw3 s ILE 98 CO -0.05 0.09 0.12 0.35 0.00 0.00 0.00 174.94 175.46 3lw3 n THR 99 N 3.13 0.76 -3.76 2.92 -2.24 0.60 -4.89 114.28 110.81 3lw3 n THR 99 Ca 0.09 -0.56 -0.13 0.00 -2.27 0.00 0.00 64.05 61.18 3lw3 n THR 99 Cb 0.41 -0.43 -0.10 0.00 -2.10 0.00 0.00 70.33 68.11 3lw3 n THR 99 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3lw3 s HIS 100 N -2.54 -0.34 -0.00 4.78 3.76 -1.08 -4.98 115.29 114.89 3lw3 s HIS 100 Ca -0.07 0.80 -0.15 0.00 -0.15 0.00 0.00 55.06 55.49 3lw3 s HIS 100 Cb 0.06 0.12 0.02 0.00 1.11 0.00 0.00 32.58 33.89 3lw3 s HIS 100 CO 0.62 -0.22 0.31 -0.08 -0.85 0.00 0.00 174.74 174.52 3lw3 s THR 101 N -0.09 0.06 0.27 1.30 -1.32 -1.26 -0.90 115.64 113.71 3lw3 s THR 101 Ca -0.02 -0.52 -0.09 0.00 -1.21 0.00 0.00 61.69 59.84 3lw3 s THR 101 Cb -0.03 -0.69 -0.00 0.00 -1.51 0.00 0.00 72.50 70.27 3lw3 s THR 101 CO 0.01 -0.29 0.45 -0.44 -2.21 0.00 0.00 174.62 172.14 3lw3 s SER 102 N -1.50 0.19 0.52 8.08 0.01 -0.08 -4.99 113.70 115.94 3lw3 s SER 102 Ca -0.12 -1.13 0.33 0.00 1.31 0.00 0.00 55.95 56.35 3lw3 s SER 102 Cb -0.04 0.59 1.41 0.00 0.21 0.00 0.00 66.02 68.19 3lw3 s SER 102 CO 0.03 -1.17 1.98 0.77 0.41 0.00 0.00 173.24 175.26 3lw3 h SER 103 N 2.25 0.00 0.00 2.44 4.64 -2.02 -3.23 113.55 117.63 3lw3 h SER 103 Ca -0.28 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.97 3lw3 h SER 103 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 3lw3 h SER 103 CO 0.38 0.00 -1.64 0.29 -0.87 0.00 0.00 176.83 174.99 3lw3 n LYS 104 N -2.96 0.93 -3.57 4.77 5.02 -1.26 -4.74 118.16 116.35 3lw3 n LYS 104 Ca 0.00 -0.08 -0.16 0.00 -2.02 0.00 0.00 58.31 56.05 3lw3 n LYS 104 Cb 0.27 -1.30 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 3lw3 n LYS 104 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3lw3 s LYS 105 N -2.68 1.00 0.13 1.97 -2.85 -1.22 -1.04 119.74 115.04 3lw3 s LYS 105 Ca -0.05 0.04 0.04 0.00 -1.00 0.00 0.00 55.97 55.00 3lw3 s LYS 105 Cb 0.07 0.46 -0.04 0.00 -2.06 0.00 0.00 37.83 36.26 3lw3 s LYS 105 CO 0.51 -0.33 -0.10 -1.12 0.10 0.00 0.00 175.35 174.41 3lw3 s SER 106 N -1.46 1.65 -0.09 0.03 0.01 0.08 -0.90 113.70 113.02 3lw3 s SER 106 Ca -0.10 -0.94 0.01 0.00 1.31 0.00 0.00 55.95 56.24 3lw3 s SER 106 Cb -0.01 -0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.20 3lw3 s SER 106 CO 0.05 -0.31 -0.12 -0.89 0.41 0.00 0.00 173.24 172.39 3lw3 s THR 107 N -2.99 3.20 -0.06 1.44 2.01 -0.07 -0.32 115.64 118.86 3lw3 s THR 107 Ca 0.12 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.50 3lw3 s THR 107 Cb 0.01 -2.31 0.02 0.00 0.01 0.00 0.00 72.50 70.22 3lw3 s THR 107 CO 0.00 0.56 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.77 3lw3 s ILE 108 N -0.25 0.92 -0.13 1.82 1.09 -0.22 -0.29 121.20 124.14 3lw3 s ILE 108 Ca 0.02 -0.35 -0.10 0.00 -1.10 0.00 0.00 60.65 59.12 3lw3 s ILE 108 Cb -0.13 -0.87 -0.05 0.00 -1.06 0.00 0.00 42.46 40.35 3lw3 s ILE 108 CO 0.03 0.31 0.20 -0.60 -0.10 0.00 0.00 174.94 174.78 3lw3 s ARG 109 N 0.79 3.84 -0.07 2.79 6.06 -0.08 -0.38 118.95 131.89 3lw3 s ARG 109 Ca -0.13 -0.04 0.03 0.00 -2.50 0.00 0.00 55.73 53.09 3lw3 s ARG 109 Cb -0.15 -3.29 0.01 0.00 0.06 0.00 0.00 34.95 31.57 3lw3 s ARG 109 CO 0.02 0.55 -0.17 0.08 -2.50 0.00 0.00 175.30 173.28 3lw3 s VAL 110 N -0.41 1.49 -0.06 7.11 1.01 0.73 -0.86 120.40 129.41 3lw3 s VAL 110 Ca 0.15 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.49 3lw3 s VAL 110 Cb -0.13 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 3lw3 s VAL 110 CO 0.04 0.43 -0.25 -1.61 0.00 0.00 0.00 175.10 173.71 3lw3 s GLU 111 N 0.46 2.53 -0.12 2.72 2.02 -0.57 -0.89 118.70 124.85 3lw3 s GLU 111 Ca -0.14 -0.90 -0.02 0.00 0.02 0.00 0.00 54.97 53.93 3lw3 s GLU 111 Cb -0.16 -2.17 -0.03 0.00 0.10 0.00 0.00 34.13 31.88 3lw3 s GLU 111 CO 0.05 0.40 -0.04 0.20 0.02 0.00 0.00 175.26 175.89 3lw3 s GLY 112 N -0.20 1.74 0.01 -1.39 0.00 0.22 -0.78 107.32 106.92 3lw3 s GLY 112 Ca -0.03 -0.84 0.05 0.00 0.00 0.00 0.00 44.72 43.91 3lw3 s GLY 112 CO 0.03 -0.33 -0.15 -0.54 0.00 0.00 0.00 173.10 172.11 3lw3 s GLU 113 N -0.20 1.16 -0.20 2.90 2.02 0.70 -0.20 118.70 124.88 3lw3 s GLU 113 Ca 0.04 -0.63 -0.01 0.00 0.02 0.00 0.00 54.97 54.38 3lw3 s GLU 113 Cb -0.13 -1.15 0.01 0.00 0.10 0.00 0.00 34.13 32.96 3lw3 s GLU 113 CO 0.02 0.31 -0.13 0.12 0.02 0.00 0.00 175.26 175.60 3lw3 s PHE 114 N -0.52 2.86 -1.63 1.61 5.36 0.07 -0.93 117.98 124.79 3lw3 s PHE 114 Ca 0.05 -1.34 -0.16 0.00 -0.96 0.00 0.00 56.93 54.51 3lw3 s PHE 114 Cb -0.07 -2.00 0.13 0.00 -0.34 0.00 0.00 43.02 40.74 3lw3 s PHE 114 CO 0.00 -0.70 0.85 -1.33 -1.46 0.00 0.00 175.22 172.59 3lw3 n MET 115 N 4.70 -4.08 -1.32 10.12 2.81 -1.26 -0.40 117.12 127.70 3lw3 n MET 115 Ca -0.20 0.46 -0.11 0.00 -1.81 0.00 0.00 57.70 56.04 3lw3 n MET 115 Cb 0.50 -5.23 -0.05 0.00 -0.71 0.00 0.00 33.22 27.73 3lw3 n MET 115 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3lw3 n GLU 116 N -4.50 -0.84 -4.42 0.03 1.02 -1.26 -5.00 120.64 105.67 3lw3 n GLU 116 Ca 0.05 0.87 -0.34 0.00 -0.02 0.00 0.00 57.16 57.72 3lw3 n GLU 116 Cb 0.51 -4.85 -0.13 0.00 -0.02 0.00 0.00 31.44 26.95 3lw3 n GLU 116 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3lw3 s ILE 117 N -2.36 3.54 0.04 -3.67 1.01 0.47 -5.06 121.20 115.17 3lw3 s ILE 117 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 60.65 59.87 3lw3 s ILE 117 Cb 0.00 -2.55 -0.07 0.00 0.01 0.00 0.00 42.46 39.85 3lw3 s ILE 117 CO 0.00 0.49 1.50 -0.75 0.00 0.00 0.00 174.94 176.18 3lw3 s LYS 118 N 0.59 4.25 0.00 2.79 2.20 -1.26 -0.75 119.74 127.55 3lw3 s LYS 118 Ca -0.04 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.69 3lw3 s LYS 118 Cb -0.15 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.62 3lw3 s LYS 118 CO 0.03 -0.63 0.35 1.33 -0.36 0.00 0.00 175.35 176.07 3lw3 n VAL 119 N 4.62 0.00 -3.72 4.02 0.24 0.72 -4.92 118.33 119.29 3lw3 n VAL 119 Ca 0.14 -0.38 -0.13 0.00 -2.04 0.00 0.00 64.34 61.93 3lw3 n VAL 119 Cb 0.42 1.22 -0.09 0.00 -1.47 0.00 0.00 33.84 33.92 3lw3 n VAL 119 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3lw3 s PHE 120 N -0.06 -0.43 -0.10 6.34 5.36 -1.02 -0.98 117.98 127.08 3lw3 s PHE 120 Ca 0.00 1.00 -0.09 0.00 -0.96 0.00 0.00 56.93 56.88 3lw3 s PHE 120 Cb 0.00 0.16 0.03 0.00 -0.34 0.00 0.00 43.02 42.87 3lw3 s PHE 120 CO 0.00 -0.28 0.27 -1.83 -1.46 0.00 0.00 175.22 171.92 3lw3 s GLU 121 N -0.12 0.31 0.09 10.12 -1.05 -0.67 -0.61 118.70 126.76 3lw3 s GLU 121 Ca -0.03 0.37 -0.24 0.00 -0.15 0.00 0.00 54.97 54.91 3lw3 s GLU 121 Cb -0.03 0.15 0.06 0.00 -0.44 0.00 0.00 34.13 33.87 3lw3 s GLU 121 CO 0.02 -0.04 0.59 0.20 0.95 0.00 0.00 175.26 176.98 3lw3 s GLY 122 N 0.14 -0.55 -0.12 -3.83 0.00 -0.07 -0.28 107.32 102.61 3lw3 s GLY 122 Ca -0.00 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.40 3lw3 s GLY 122 CO 0.00 0.36 -0.13 0.99 0.00 0.00 0.00 173.10 174.32 3lw3 s ASP 123 N -2.22 4.04 -0.04 1.64 1.01 -0.38 -0.19 116.67 120.52 3lw3 s ASP 123 Ca -0.03 -0.31 0.04 0.00 0.71 0.00 0.00 52.55 52.97 3lw3 s ASP 123 Cb -0.01 -1.55 -0.02 0.00 1.01 0.00 0.00 42.92 42.35 3lw3 s ASP 123 CO -0.05 0.18 -0.16 -0.36 0.21 0.00 0.00 175.17 174.99 3lw3 s PHE 124 N 0.25 2.64 -0.14 4.23 0.08 0.49 -1.47 117.98 124.07 3lw3 s PHE 124 Ca -0.09 -0.21 -0.04 0.00 0.12 0.00 0.00 56.93 56.72 3lw3 s PHE 124 Cb -0.15 -1.61 -0.03 0.00 -0.57 0.00 0.00 43.02 40.66 3lw3 s PHE 124 CO 0.05 0.15 -0.01 -1.21 -0.10 0.00 0.00 175.22 174.10 3lw3 s GLU 125 N -0.72 3.49 -0.07 0.44 0.41 0.08 -1.05 118.70 121.28 3lw3 s GLU 125 Ca 0.11 -0.45 0.04 0.00 -0.41 0.00 0.00 54.97 54.25 3lw3 s GLU 125 Cb -0.10 -2.92 0.00 0.00 -1.78 0.00 0.00 34.13 29.33 3lw3 s GLU 125 CO 0.00 0.40 -0.19 0.42 -0.49 0.00 0.00 175.26 175.41 3lw3 s ILE 126 N -0.05 1.62 -0.08 -1.63 1.01 0.57 -1.03 121.20 121.61 3lw3 s ILE 126 Ca 0.03 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.86 3lw3 s ILE 126 Cb -0.13 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 3lw3 s ILE 126 CO 0.02 0.46 0.11 -0.76 0.00 0.00 0.00 174.94 174.77 3lw3 s LEU 127 N 0.35 4.16 -0.09 2.97 1.43 0.47 -0.74 118.68 127.23 3lw3 s LEU 127 Ca -0.13 0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.35 3lw3 s LEU 127 Cb -0.16 -2.14 -0.00 0.00 0.03 0.00 0.00 46.19 43.92 3lw3 s LEU 127 CO 0.05 0.36 -0.23 -0.69 0.23 0.00 0.00 176.35 176.07 3lw3 s VAL 128 N -1.07 2.15 0.00 -1.59 1.01 -0.21 -1.20 120.40 119.49 3lw3 s VAL 128 Ca 0.18 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3lw3 s VAL 128 Cb -0.12 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.45 3lw3 s VAL 128 CO 0.08 0.56 0.00 0.49 0.00 0.00 0.00 175.10 176.23 3lw3 n PHE 129 N 3.38 0.00 -3.52 5.22 3.01 -0.17 -4.70 117.46 120.68 3lw3 n PHE 129 Ca -0.19 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.10 3lw3 n PHE 129 Cb 0.53 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.87 3lw3 n PHE 129 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 3lw3 s ARG 132 N 3.28 0.18 -0.12 -1.08 1.70 -1.26 -4.60 118.95 117.05 3lw3 s ARG 132 Ca 0.00 0.30 -0.11 0.00 -0.47 0.00 0.00 55.73 55.45 3lw3 s ARG 132 Cb 0.00 -0.99 -0.05 0.00 -0.57 0.00 0.00 34.95 33.34 3lw3 s ARG 132 CO 0.00 -0.59 0.25 -2.14 -1.08 0.00 0.00 175.30 171.74 3lw3 s PRO 133 N 2.34 3.91 0.07 3.89 0.02 -1.26 -5.07 135.00 138.90 3lw3 s PRO 133 Ca 0.06 0.06 0.04 0.00 0.02 0.00 0.00 61.00 61.18 3lw3 s PRO 133 Cb -0.15 -3.30 -0.03 0.00 0.02 0.00 0.00 34.50 31.04 3lw3 s PRO 133 CO -0.11 0.52 -0.12 -0.06 -0.33 0.00 0.00 177.00 176.90 3lw3 s PHE 134 N -0.38 1.10 0.00 6.54 0.40 -1.26 -5.32 117.98 119.07 3lw3 s PHE 134 Ca 0.17 -0.50 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 3lw3 s PHE 134 Cb -0.13 -0.62 0.00 0.00 0.51 0.00 0.00 43.02 42.78 3lw3 s PHE 134 CO 0.05 0.03 0.11 1.17 0.70 0.00 0.00 175.22 177.28