#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lw3 s GLU 10 N 0.00 4.44 0.00 3.49 -1.05 -1.26 -3.47 118.70 120.85 3lw3 s GLU 10 Ca 0.00 0.99 0.00 0.00 -0.15 0.00 0.00 54.97 55.81 3lw3 s GLU 10 Cb 0.00 -3.29 0.00 0.00 -0.44 0.00 0.00 34.13 30.40 3lw3 s GLU 10 CO 0.00 0.50 0.00 0.41 0.95 0.00 0.00 175.26 177.12 3lw3 n GLY 11 N 1.89 1.94 3.65 -3.83 0.00 -1.26 -5.01 105.19 102.58 3lw3 n GLY 11 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 4.01 0.00 0.99 2.96 -1.23 -4.92 118.68 120.50 3lw3 s LEU 12 Ca 0.00 1.20 0.24 0.00 -0.22 0.00 0.00 54.13 55.34 3lw3 s LEU 12 Cb 0.00 -3.53 0.16 0.00 0.50 0.00 0.00 46.19 43.32 3lw3 s LEU 12 CO 0.00 -0.77 1.22 0.18 -1.32 0.00 0.00 176.35 175.66 3lw3 n LEU 13 N 6.59 2.59 -4.36 -0.68 4.77 -1.26 -4.98 117.00 119.67 3lw3 n LEU 13 Ca 0.12 -0.89 -0.25 0.00 -0.03 0.00 0.00 56.01 54.95 3lw3 n LEU 13 Cb 0.47 -0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.43 3lw3 n LEU 13 CO 0.56 0.45 -0.52 0.68 -1.33 0.00 0.00 177.39 177.22 3lw3 s VAL 14 N -2.17 2.06 -1.28 4.08 -7.23 -1.26 -4.23 120.40 110.36 3lw3 s VAL 14 Ca 0.25 -1.84 -0.08 0.00 -1.81 0.00 0.00 61.98 58.51 3lw3 s VAL 14 Cb 0.19 -1.90 -0.00 0.00 0.56 0.00 0.00 36.38 35.23 3lw3 s VAL 14 CO 0.40 -0.11 0.63 0.00 -0.31 0.00 0.00 175.10 175.71 3lw3 h THR 16 N -1.85 0.66 -0.27 0.00 1.35 -1.94 -2.34 112.91 108.52 3lw3 h THR 16 Ca -0.64 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3lw3 h THR 16 Cb 1.36 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 3lw3 h THR 16 CO 0.55 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.36 3lw3 n ARG 17 N -4.05 2.38 -2.67 4.72 5.12 -1.26 -4.99 116.66 115.91 3lw3 n ARG 17 Ca -0.02 -2.06 -0.42 0.00 -1.93 0.00 0.00 57.85 53.42 3lw3 n ARG 17 Cb 0.13 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 29.90 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 -1.64 4.42 -0.54 0.55 2.96 -0.88 -4.98 118.68 118.55 3lw3 s LEU 18 Ca 0.36 1.77 -0.27 0.00 -0.22 0.00 0.00 54.13 55.77 3lw3 s LEU 18 Cb 0.22 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 43.36 3lw3 s LEU 18 CO 0.31 -0.23 1.07 -0.62 -1.32 0.00 0.00 176.35 175.57 3lw3 s ASP 19 N 0.64 6.45 0.47 3.68 -1.08 -1.26 -4.90 116.67 120.66 3lw3 s ASP 19 Ca 0.51 0.02 0.20 0.00 -0.52 0.00 0.00 52.55 52.76 3lw3 s ASP 19 Cb -0.23 -2.50 1.15 0.00 -1.46 0.00 0.00 42.92 39.87 3lw3 s ASP 19 CO 0.29 -1.31 2.00 1.56 0.52 0.00 0.00 175.17 178.23 3lw3 h GLN 20 N 9.37 0.00 0.00 4.34 4.20 -1.94 -1.64 115.11 129.43 3lw3 h GLN 20 Ca -0.25 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.41 3lw3 h GLN 20 Cb 1.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 3lw3 h GLN 20 CO 1.13 0.18 -0.23 -0.97 -0.67 0.00 0.00 178.83 178.27 3lw3 h ASN 21 N 0.00 0.00 0.19 1.46 -1.24 -1.90 -0.94 115.58 113.14 3lw3 h ASN 21 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3lw3 h ASN 21 Cb 0.38 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.43 3lw3 h ASN 21 CO 0.02 0.23 -0.07 0.18 -1.29 0.00 0.00 177.43 176.51 3lw3 n LEU 22 N -4.23 0.64 0.00 0.34 4.77 -0.63 -4.74 117.00 113.15 3lw3 n LEU 22 Ca -0.02 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3lw3 n LEU 22 Cb 0.29 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3lw3 n LEU 22 CO 0.37 0.11 0.00 0.00 -1.33 0.00 0.00 177.39 176.54 3lw3 s ALA 24 N -2.00 -2.01 -0.16 0.00 0.00 -0.45 -4.68 121.76 112.46 3lw3 s ALA 24 Ca 0.00 1.69 -0.27 0.00 0.00 0.00 0.00 51.96 53.38 3lw3 s ALA 24 Cb 0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 3lw3 s ALA 24 CO 0.00 -0.32 0.91 -2.00 0.00 0.00 0.00 175.76 174.36 3lw3 s GLU 25 N -1.23 4.32 -0.09 0.00 2.12 -0.20 -4.71 118.70 118.91 3lw3 s GLU 25 Ca 0.03 1.17 -0.29 0.00 0.36 0.00 0.00 54.97 56.24 3lw3 s GLU 25 Cb -0.01 -3.58 -0.06 0.00 0.26 0.00 0.00 34.13 30.75 3lw3 s GLU 25 CO -0.03 -0.37 1.81 -1.17 -0.54 0.00 0.00 175.26 174.96 3lw3 s LEU 26 N 2.27 4.13 -0.21 2.70 2.96 -1.26 -0.85 118.68 128.42 3lw3 s LEU 26 Ca 0.42 2.16 -0.15 0.00 -0.22 0.00 0.00 54.13 56.33 3lw3 s LEU 26 Cb -0.17 -3.53 -0.18 0.00 0.50 0.00 0.00 46.19 42.81 3lw3 s LEU 26 CO 0.13 -1.19 0.06 -0.38 -1.32 0.00 0.00 176.35 173.65 3lw3 n ILE 27 N 6.04 1.58 -3.45 6.68 2.08 0.16 -4.97 119.36 127.47 3lw3 n ILE 27 Ca 0.20 -0.28 -0.13 0.00 0.56 0.00 0.00 62.75 63.10 3lw3 n ILE 27 Cb 0.43 -1.89 -0.03 0.00 -0.75 0.00 0.00 39.64 37.40 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 -7.03 -0.55 0.18 4.38 1.04 -1.04 -4.99 113.70 105.70 3lw3 s SER 28 Ca -0.31 0.06 -0.22 0.00 0.48 0.00 0.00 55.95 55.96 3lw3 s SER 28 Cb 0.09 0.58 0.06 0.00 0.10 0.00 0.00 66.02 66.84 3lw3 s SER 28 CO 0.60 -0.92 0.60 0.72 0.98 0.00 0.00 173.24 175.23 3lw3 s PHE 29 N -3.44 -0.42 0.00 5.02 -0.12 -1.26 -1.08 117.98 116.67 3lw3 s PHE 29 Ca -0.00 0.15 0.00 0.00 -0.05 0.00 0.00 56.93 57.03 3lw3 s PHE 29 Cb -0.01 0.55 0.00 0.00 -0.63 0.00 0.00 43.02 42.94 3lw3 s PHE 29 CO -0.10 -0.92 0.00 0.41 -0.05 0.00 0.00 175.22 174.56 3lw3 n GLY 30 N -0.38 3.87 3.21 1.99 0.00 -0.09 -4.98 105.19 108.81 3lw3 n GLY 30 Ca -0.14 -1.71 -0.23 0.00 0.00 0.00 0.00 46.02 43.93 3lw3 n GLY 30 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3lw3 n SER 31 N 0.00 -5.71 -1.24 1.61 2.88 -1.26 -2.22 113.62 107.69 3lw3 n SER 31 Ca 0.00 -0.37 -0.11 0.00 -1.33 0.00 0.00 58.87 57.06 3lw3 n SER 31 Cb 0.00 -4.60 -0.01 0.00 -0.75 0.00 0.00 64.21 58.85 3lw3 n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3lw3 n GLY 32 N -1.55 0.09 3.19 0.46 0.00 -1.25 -4.96 105.19 101.17 3lw3 n GLY 32 Ca -0.07 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.34 0.79 -0.02 1.61 1.02 -0.94 -1.29 119.74 116.56 3lw3 s LYS 33 Ca 0.00 -0.92 -0.30 0.00 0.02 0.00 0.00 55.97 54.78 3lw3 s LYS 33 Cb 0.00 0.32 0.07 0.00 -0.52 0.00 0.00 37.83 37.70 3lw3 s LYS 33 CO 0.00 -0.24 0.66 0.00 -0.92 0.00 0.00 175.35 174.86 3lw3 s ALA 34 N -3.59 -1.73 -0.04 5.17 0.00 -0.56 -0.92 121.76 120.09 3lw3 s ALA 34 Ca 0.03 1.20 0.04 0.00 0.00 0.00 0.00 51.96 53.23 3lw3 s ALA 34 Cb 0.04 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.26 3lw3 s ALA 34 CO -0.09 -0.41 -0.17 0.99 0.00 0.00 0.00 175.76 176.07 3lw3 s THR 35 N -1.49 1.40 0.22 0.00 2.01 -0.24 -0.10 115.64 117.44 3lw3 s THR 35 Ca -0.10 -0.70 0.06 0.00 0.31 0.00 0.00 61.69 61.27 3lw3 s THR 35 Cb -0.00 -1.21 -0.05 0.00 0.01 0.00 0.00 72.50 71.25 3lw3 s THR 35 CO 0.07 0.41 -0.08 0.68 -0.69 0.00 0.00 174.62 175.00 3lw3 s VAL 36 N 0.08 1.49 -0.13 3.82 -7.23 -0.53 -0.67 120.40 117.22 3lw3 s VAL 36 Ca -0.05 -2.13 -0.00 0.00 -1.81 0.00 0.00 61.98 57.99 3lw3 s VAL 36 Cb -0.12 -2.19 0.03 0.00 0.56 0.00 0.00 36.38 34.66 3lw3 s VAL 36 CO 0.02 -0.48 -0.10 0.00 -0.31 0.00 0.00 175.10 174.24 3lw3 s LEU 38 N 1.62 4.10 -0.57 0.00 2.96 0.45 -1.04 118.68 126.20 3lw3 s LEU 38 Ca 0.04 0.60 -0.06 0.00 -0.22 0.00 0.00 54.13 54.49 3lw3 s LEU 38 Cb -0.13 -2.69 0.15 0.00 0.50 0.00 0.00 46.19 44.02 3lw3 s LEU 38 CO -0.09 -0.24 0.42 -0.89 -1.32 0.00 0.00 176.35 174.23 3lw3 s THR 39 N 2.00 4.04 0.22 3.68 2.01 -1.26 -1.15 115.64 125.17 3lw3 s THR 39 Ca 0.23 -2.40 -0.32 0.00 0.31 0.00 0.00 61.69 59.51 3lw3 s THR 39 Cb -0.15 -3.64 -0.13 0.00 0.01 0.00 0.00 72.50 68.59 3lw3 s THR 39 CO 0.09 -0.84 1.63 -2.65 -0.69 0.00 0.00 174.62 172.16 3lw3 n PRO 40 N 4.16 2.53 -3.90 4.92 -0.02 -1.26 -4.87 135.00 136.56 3lw3 n PRO 40 Ca 0.02 0.91 -0.22 0.00 -2.02 0.00 0.00 63.50 62.20 3lw3 n PRO 40 Cb 0.40 -2.70 -0.04 0.00 -0.02 0.00 0.00 33.50 31.14 3lw3 n PRO 40 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3lw3 s LYS 41 N 0.59 2.69 0.37 -0.52 3.01 -1.26 -2.81 119.74 121.81 3lw3 s LYS 41 Ca 0.73 -1.30 0.05 0.00 -1.01 0.00 0.00 55.97 54.44 3lw3 s LYS 41 Cb -0.56 -2.44 0.73 0.00 -1.01 0.00 0.00 37.83 34.55 3lw3 s LYS 41 CO 0.39 0.14 1.99 0.93 0.51 0.00 0.00 175.35 179.31 3lw3 h GLU 42 N 1.33 0.73 0.00 1.68 5.08 -2.00 -0.20 114.58 121.20 3lw3 h GLU 42 Ca -0.45 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3lw3 h GLU 42 Cb 1.25 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3lw3 h GLU 42 CO 0.59 0.49 0.00 0.27 -1.00 0.00 0.00 179.01 179.36 3lw3 h PHE 43 N 0.76 0.00 -0.01 4.33 -0.00 -2.02 -1.94 116.94 118.06 3lw3 h PHE 43 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.23 3lw3 h PHE 43 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.04 3lw3 h PHE 43 CO -0.00 0.00 -0.21 -1.33 -0.00 0.00 0.00 178.31 176.77 3lw3 n MET 44 N -2.34 0.88 -2.66 6.09 2.81 -0.09 -4.94 117.12 116.86 3lw3 n MET 44 Ca -0.01 -0.48 -0.40 0.00 -1.81 0.00 0.00 57.70 55.00 3lw3 n MET 44 Cb 0.07 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.03 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 -2.45 4.59 -0.17 4.03 1.43 -0.73 -0.78 118.68 124.58 3lw3 s LEU 45 Ca 0.26 2.04 -0.19 0.00 -1.03 0.00 0.00 54.13 55.21 3lw3 s LEU 45 Cb 0.20 -3.66 -0.16 0.00 0.03 0.00 0.00 46.19 42.59 3lw3 s LEU 45 CO 0.50 0.04 0.26 0.00 0.23 0.00 0.00 176.35 177.38 3lw3 s GLU 47 N -2.24 1.82 0.51 0.00 8.01 -0.86 -5.01 118.70 120.93 3lw3 s GLU 47 Ca -0.22 -2.09 0.16 0.00 0.01 0.00 0.00 54.97 52.84 3lw3 s GLU 47 Cb 0.03 -0.56 1.23 0.00 -4.31 0.00 0.00 34.13 30.51 3lw3 s GLU 47 CO 0.50 -0.43 2.12 -0.44 0.01 0.00 0.00 175.26 177.02 3lw3 h ASP 48 N 1.92 0.07 0.00 -0.19 5.19 -2.01 -2.16 116.42 119.24 3lw3 h ASP 48 Ca -0.36 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.04 3lw3 h ASP 48 Cb 1.26 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 3lw3 h ASP 48 CO 0.58 0.05 -0.23 -0.90 -3.12 0.00 0.00 179.24 175.62 3lw3 n ASP 49 N -4.51 1.95 -3.54 6.45 5.75 -1.26 -4.76 116.55 116.63 3lw3 n ASP 49 Ca -0.00 -3.25 -0.21 0.00 -0.01 0.00 0.00 54.79 51.32 3lw3 n ASP 49 Cb 0.15 -0.44 -0.14 0.00 -1.03 0.00 0.00 41.12 39.65 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 -2.72 -0.24 0.28 2.12 1.01 -0.81 -4.49 120.40 115.55 3lw3 s VAL 50 Ca 0.32 -0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 3lw3 s VAL 50 Cb 0.30 -0.62 -0.10 0.00 0.00 0.00 0.00 36.38 35.96 3lw3 s VAL 50 CO -0.01 -0.21 1.25 -0.69 0.00 0.00 0.00 175.10 175.44 3lw3 s VAL 51 N 2.26 3.05 0.35 2.92 1.01 0.12 -0.81 120.40 129.31 3lw3 s VAL 51 Ca 0.05 1.00 -0.28 0.00 0.00 0.00 0.00 61.98 62.75 3lw3 s VAL 51 Cb -0.16 -3.64 -0.11 0.00 0.00 0.00 0.00 36.38 32.48 3lw3 s VAL 51 CO -0.11 0.22 1.44 -2.28 0.00 0.00 0.00 175.10 174.37 3lw3 s HIS 52 N -0.84 2.74 0.47 5.22 2.46 0.04 -4.64 115.29 120.75 3lw3 s HIS 52 Ca 0.50 1.22 0.21 0.00 0.47 0.00 0.00 55.06 57.46 3lw3 s HIS 52 Cb -0.37 -3.92 1.23 0.00 -0.13 0.00 0.00 32.58 29.39 3lw3 s HIS 52 CO 0.46 -2.68 1.93 0.00 -2.47 0.00 0.00 174.74 171.98 3lw3 h ALA 53 N 3.27 2.36 -0.84 1.58 0.00 -1.92 -1.71 119.26 122.00 3lw3 h ALA 53 Ca -0.50 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.44 3lw3 h ALA 53 Cb 1.23 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 3lw3 h ALA 53 CO 0.66 -0.57 0.55 0.78 0.00 0.00 0.00 179.25 180.67 3lw3 h GLY 54 N 0.22 1.18 1.90 0.00 0.00 -1.95 0.06 103.07 104.49 3lw3 h GLY 54 Ca 0.36 -0.40 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 3lw3 h GLY 54 CO -0.08 0.33 -0.83 0.74 0.00 0.00 0.00 176.54 176.71 3lw3 h PHE 55 N 1.01 0.14 0.17 5.60 0.04 -1.65 0.16 116.94 122.41 3lw3 h PHE 55 Ca 0.34 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 61.03 3lw3 h PHE 55 Cb 0.08 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.21 3lw3 h PHE 55 CO -0.00 0.88 -0.08 0.82 -0.60 0.00 0.00 178.31 179.33 3lw3 h ILE 56 N 0.05 0.93 -0.96 -0.55 2.04 -1.43 -1.29 117.51 116.30 3lw3 h ILE 56 Ca -0.02 -0.96 0.06 0.00 1.00 0.00 0.00 64.86 64.94 3lw3 h ILE 56 Cb 1.45 1.47 -0.07 0.00 -0.74 0.00 0.00 36.82 38.93 3lw3 h ILE 56 CO 0.12 0.20 0.61 0.58 0.00 0.00 0.00 178.15 179.66 3lw3 h VAL 57 N -0.74 1.07 -0.47 1.67 2.07 -1.06 -1.78 116.25 117.01 3lw3 h VAL 57 Ca -0.02 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.14 3lw3 h VAL 57 Cb 0.51 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3lw3 h VAL 57 CO 0.04 0.20 0.27 1.23 0.02 0.00 0.00 177.57 179.33 3lw3 h GLY 58 N 1.11 0.67 0.84 2.17 0.00 -0.62 0.13 103.07 107.36 3lw3 h GLY 58 Ca 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 3lw3 h GLY 58 CO -0.17 0.17 0.03 0.00 0.00 0.00 0.00 176.54 176.56 3lw3 h ALA 59 N 1.22 0.11 -0.85 3.60 0.00 -0.93 -1.34 119.26 121.07 3lw3 h ALA 59 Ca 0.19 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3lw3 h ALA 59 Cb 0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3lw3 h ALA 59 CO -0.10 -0.29 0.55 0.00 0.00 0.00 0.00 179.25 179.42 3lw3 h ALA 60 N 0.85 1.10 -0.40 0.00 0.00 -1.12 -1.52 119.26 118.16 3lw3 h ALA 60 Ca 0.03 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3lw3 h ALA 60 Cb 0.20 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3lw3 h ALA 60 CO -0.00 0.43 0.21 0.77 0.00 0.00 0.00 179.25 180.66 3lw3 h SER 61 N 1.10 0.32 -0.07 0.00 0.02 -0.52 0.49 113.55 114.90 3lw3 h SER 61 Ca 0.33 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.29 3lw3 h SER 61 Cb -0.06 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 3lw3 h SER 61 CO -0.09 0.23 0.04 0.15 -1.14 0.00 0.00 176.83 176.02 3lw3 h PHE 62 N 0.43 0.09 -0.56 3.45 3.57 -0.92 -1.30 116.94 121.70 3lw3 h PHE 62 Ca 0.17 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.78 3lw3 h PHE 62 Cb 0.06 -0.03 -0.10 0.00 2.79 0.00 0.00 35.95 38.67 3lw3 h PHE 62 CO -0.09 0.10 -0.02 0.00 -2.23 0.00 0.00 178.31 176.07 3lw3 h ALA 63 N 0.98 0.52 -0.18 2.41 0.00 -0.93 -1.59 119.26 120.47 3lw3 h ALA 63 Ca 0.02 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3lw3 h ALA 63 Cb 0.04 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3lw3 h ALA 63 CO -0.00 -0.40 0.11 0.00 0.00 0.00 0.00 179.25 178.96 3lw3 h ALA 64 N 1.51 0.22 -0.82 0.00 0.00 -0.59 -0.61 119.26 118.98 3lw3 h ALA 64 Ca 0.28 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3lw3 h ALA 64 Cb 0.45 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3lw3 h ALA 64 CO -0.49 -0.28 0.49 -0.07 0.00 0.00 0.00 179.25 178.91 3lw3 h LEU 65 N 0.22 0.98 -0.68 0.00 3.38 -0.99 -2.39 115.31 115.83 3lw3 h LEU 65 Ca 0.06 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 3lw3 h LEU 65 Cb 0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3lw3 h LEU 65 CO -0.01 0.75 -0.63 0.00 0.09 0.00 0.00 178.44 178.64 3lw3 h ALA 67 N 1.26 0.20 -0.17 0.00 0.00 -0.60 -3.11 119.26 116.84 3lw3 h ALA 67 Ca -0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3lw3 h ALA 67 Cb 1.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3lw3 h ALA 67 CO 0.09 -0.32 -0.45 1.25 0.00 0.00 0.00 179.25 179.82 3lw3 h LEU 68 N 0.21 0.70 -3.13 0.00 5.85 -1.39 -3.27 115.31 114.28 3lw3 h LEU 68 Ca 0.06 -0.58 -0.39 0.00 0.84 0.00 0.00 57.88 57.81 3lw3 h LEU 68 Cb -0.02 -0.20 0.09 0.00 0.37 0.00 0.00 40.66 40.89 3lw3 h LEU 68 CO -0.01 1.15 -0.88 -3.20 -0.34 0.00 0.00 178.44 175.16 3lw3 n ASN 69 N -4.22 -5.61 -4.22 1.25 5.15 0.42 -4.93 115.26 103.10 3lw3 n ASN 69 Ca -0.06 -0.92 -0.26 0.00 -0.60 0.00 0.00 54.58 52.73 3lw3 n ASN 69 Cb 0.57 -3.56 -0.15 0.00 -0.53 0.00 0.00 39.78 36.10 3lw3 n ASN 69 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3lw3 s LYS 70 N -5.57 1.55 0.62 1.20 -0.14 -1.26 -4.73 119.74 111.41 3lw3 s LYS 70 Ca 0.41 -0.78 -0.18 0.00 -1.36 0.00 0.00 55.97 54.07 3lw3 s LYS 70 Cb -0.14 -1.54 -0.02 0.00 -1.68 0.00 0.00 37.83 34.45 3lw3 s LYS 70 CO 0.85 0.41 1.18 0.21 -0.76 0.00 0.00 175.35 177.24 3lw3 s LYS 71 N -0.68 2.87 -1.44 1.68 2.47 -1.26 -3.51 119.74 119.87 3lw3 s LYS 71 Ca 0.08 1.70 -0.09 0.00 -1.56 0.00 0.00 55.97 56.10 3lw3 s LYS 71 Cb -0.08 -1.93 0.03 0.00 -1.46 0.00 0.00 37.83 34.39 3lw3 s LYS 71 CO -0.00 -1.26 0.96 0.09 0.16 0.00 0.00 175.35 175.30 3lw3 n ASN 72 N -1.87 -5.92 -4.85 1.43 3.02 -1.26 -4.65 115.26 101.17 3lw3 n ASN 72 Ca 0.13 -0.51 -0.30 0.00 -0.03 0.00 0.00 54.58 53.87 3lw3 n ASN 72 Cb 0.50 -4.71 -0.05 0.00 -0.61 0.00 0.00 39.78 34.91 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 -3.12 5.92 -0.03 6.41 1.04 -1.23 -1.98 113.70 120.72 3lw3 s SER 73 Ca 0.52 0.11 -0.02 0.00 0.48 0.00 0.00 55.95 57.04 3lw3 s SER 73 Cb -0.24 -1.70 0.01 0.00 0.10 0.00 0.00 66.02 64.19 3lw3 s SER 73 CO 0.64 0.16 0.07 -0.76 0.98 0.00 0.00 173.24 174.33 3lw3 s LEU 74 N -2.51 1.62 -0.21 2.42 1.43 -0.12 -4.99 118.68 116.32 3lw3 s LEU 74 Ca 0.32 0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 53.26 3lw3 s LEU 74 Cb -0.12 0.20 -0.01 0.00 0.03 0.00 0.00 46.19 46.29 3lw3 s LEU 74 CO 0.25 -0.04 1.22 -0.63 0.23 0.00 0.00 176.35 177.38 3lw3 s ILE 75 N 0.22 4.34 -0.12 -0.59 1.01 -1.26 -0.79 121.20 124.01 3lw3 s ILE 75 Ca -0.02 1.60 0.20 0.00 0.00 0.00 0.00 60.65 62.43 3lw3 s ILE 75 Cb -0.02 -4.10 -0.27 0.00 0.01 0.00 0.00 42.46 38.08 3lw3 s ILE 75 CO -0.01 -0.22 0.36 -1.54 0.00 0.00 0.00 174.94 173.54 3lw3 n SER 76 N 6.74 0.14 -3.55 3.58 3.41 0.14 -4.95 113.62 119.12 3lw3 n SER 76 Ca 0.14 0.06 -0.08 0.00 -0.26 0.00 0.00 58.87 58.73 3lw3 n SER 76 Cb 0.45 1.27 -0.02 0.00 -0.26 0.00 0.00 64.21 65.66 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 -5.14 -0.34 0.00 4.04 1.04 -1.18 -5.01 113.70 107.11 3lw3 s SER 77 Ca -0.08 -0.10 -0.19 0.00 0.48 0.00 0.00 55.95 56.07 3lw3 s SER 77 Cb 0.10 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.68 3lw3 s SER 77 CO 0.86 -0.72 0.40 0.00 0.98 0.00 0.00 173.24 174.76 3lw3 s MET 78 N -3.23 0.83 -0.16 4.02 0.00 -1.26 -0.68 119.30 118.82 3lw3 s MET 78 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 55.69 55.56 3lw3 s MET 78 Cb -0.01 0.37 0.03 0.00 0.00 0.00 0.00 34.83 35.22 3lw3 s MET 78 CO -0.07 -0.26 -0.09 0.21 0.00 0.00 0.00 175.02 174.82 3lw3 s LYS 79 N -1.76 1.81 0.03 3.16 2.47 -0.35 -5.00 119.74 120.10 3lw3 s LYS 79 Ca -0.10 -0.55 0.02 0.00 -1.56 0.00 0.00 55.97 53.78 3lw3 s LYS 79 Cb -0.03 -2.05 -0.02 0.00 -1.46 0.00 0.00 37.83 34.28 3lw3 s LYS 79 CO 0.03 -0.35 -0.07 0.14 0.16 0.00 0.00 175.35 175.26 3lw3 s VAL 80 N 1.56 0.44 -0.15 4.02 -7.23 -1.26 -0.63 120.40 117.16 3lw3 s VAL 80 Ca 0.02 -0.90 0.01 0.00 -1.81 0.00 0.00 61.98 59.30 3lw3 s VAL 80 Cb -0.14 -0.50 -0.00 0.00 0.56 0.00 0.00 36.38 36.29 3lw3 s VAL 80 CO -0.09 -0.32 -0.17 0.20 -0.31 0.00 0.00 175.10 174.42 3lw3 s ASN 81 N -1.31 3.55 -0.44 4.85 0.01 0.15 -5.00 114.94 116.75 3lw3 s ASN 81 Ca -0.09 -0.49 -0.19 0.00 -0.71 0.00 0.00 52.86 51.38 3lw3 s ASN 81 Cb -0.09 -1.54 0.02 0.00 0.41 0.00 0.00 41.25 40.06 3lw3 s ASN 81 CO 0.00 0.09 0.57 -0.76 -1.51 0.00 0.00 177.10 175.50 3lw3 s LEU 82 N 0.75 4.65 0.14 0.60 1.43 -1.26 -2.05 118.68 122.95 3lw3 s LEU 82 Ca -0.07 -0.49 0.23 0.00 -1.03 0.00 0.00 54.13 52.77 3lw3 s LEU 82 Cb -0.16 -2.59 0.13 0.00 0.03 0.00 0.00 46.19 43.60 3lw3 s LEU 82 CO 0.01 -0.72 1.14 0.18 0.23 0.00 0.00 176.35 177.19 3lw3 n LEU 83 N 6.03 0.75 -3.54 1.79 4.77 -0.15 -4.91 117.00 121.73 3lw3 n LEU 83 Ca -0.04 0.23 -0.16 0.00 -0.03 0.00 0.00 56.01 56.01 3lw3 n LEU 83 Cb 0.48 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 3lw3 n LEU 83 CO 0.51 -0.10 0.49 0.00 -1.33 0.00 0.00 177.39 176.96 3lw3 s ALA 84 N -3.26 -1.80 0.59 -1.18 0.00 -1.21 -4.99 121.76 109.91 3lw3 s ALA 84 Ca 0.03 1.46 -0.18 0.00 0.00 0.00 0.00 51.96 53.27 3lw3 s ALA 84 Cb 0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 3lw3 s ALA 84 CO 0.77 -0.36 1.12 -1.25 0.00 0.00 0.00 175.76 176.04 3lw3 s PRO 85 N -0.95 3.15 -0.05 0.00 0.05 -1.26 -4.93 135.00 131.01 3lw3 s PRO 85 Ca -0.08 1.51 0.05 0.00 0.05 0.00 0.00 61.00 62.53 3lw3 s PRO 85 Cb -0.01 -1.99 -0.02 0.00 0.05 0.00 0.00 34.50 32.54 3lw3 s PRO 85 CO 0.07 -0.99 -0.20 0.42 0.05 0.00 0.00 177.00 176.35 3lw3 s ILE 86 N -2.02 2.57 0.42 0.56 1.01 -1.26 -5.00 121.20 117.48 3lw3 s ILE 86 Ca 0.70 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 60.52 3lw3 s ILE 86 Cb -0.22 -1.97 -0.07 0.00 0.01 0.00 0.00 42.46 40.21 3lw3 s ILE 86 CO 0.33 0.58 0.01 -1.61 0.00 0.00 0.00 174.94 174.25 3lw3 s GLU 87 N -0.45 2.00 0.37 2.79 2.02 -1.26 -0.70 118.70 123.47 3lw3 s GLU 87 Ca 0.05 -2.14 -0.28 0.00 0.02 0.00 0.00 54.97 52.62 3lw3 s GLU 87 Cb -0.12 -1.64 -0.11 0.00 0.10 0.00 0.00 34.13 32.36 3lw3 s GLU 87 CO 0.01 -0.10 1.39 1.51 0.02 0.00 0.00 175.26 178.10 3lw3 n ILE 88 N -1.02 2.10 -3.68 -1.63 0.13 -1.26 -2.03 119.36 111.96 3lw3 n ILE 88 Ca -0.07 -0.50 -0.30 0.00 -1.10 0.00 0.00 62.75 60.78 3lw3 n ILE 88 Cb 0.67 -1.78 -0.06 0.00 -0.84 0.00 0.00 39.64 37.64 3lw3 n ILE 88 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 3lw3 n LYS 89 N 0.41 -0.95 -2.73 9.51 4.76 -1.12 -4.96 118.16 123.07 3lw3 n LYS 89 Ca 0.03 0.10 -0.43 0.00 -2.87 0.00 0.00 58.31 55.14 3lw3 n LYS 89 Cb 0.38 -3.64 -0.03 0.00 -1.84 0.00 0.00 35.03 29.90 3lw3 n LYS 89 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3lw3 s GLN 90 N -5.65 4.20 -0.09 1.97 -0.21 -0.86 -4.96 119.66 114.07 3lw3 s GLN 90 Ca 0.59 1.18 -0.30 0.00 0.02 0.00 0.00 55.36 56.85 3lw3 s GLN 90 Cb -0.34 -3.66 -0.03 0.00 1.00 0.00 0.00 33.01 29.98 3lw3 s GLN 90 CO 0.72 -0.64 1.26 -1.21 -2.12 0.00 0.00 175.29 173.31 3lw3 s GLU 91 N 3.15 4.29 -0.21 2.91 2.02 -1.26 -4.26 118.70 125.34 3lw3 s GLU 91 Ca 0.41 1.72 -0.03 0.00 0.02 0.00 0.00 54.97 57.10 3lw3 s GLU 91 Cb -0.15 -3.65 -0.00 0.00 0.10 0.00 0.00 34.13 30.43 3lw3 s GLU 91 CO 0.08 -0.57 -0.08 0.42 0.02 0.00 0.00 175.26 175.13 3lw3 s ILE 92 N 2.76 3.08 -0.19 -1.63 -1.09 -0.30 -4.47 121.20 119.36 3lw3 s ILE 92 Ca 0.57 -0.59 -0.17 0.00 -2.23 0.00 0.00 60.65 58.23 3lw3 s ILE 92 Cb -0.25 -2.38 -0.04 0.00 -1.58 0.00 0.00 42.46 38.21 3lw3 s ILE 92 CO 0.20 0.45 0.45 -0.31 -1.23 0.00 0.00 174.94 174.51 3lw3 s TYR 93 N 1.40 3.40 -0.25 3.97 2.02 -0.84 -0.42 117.35 126.64 3lw3 s TYR 93 Ca 0.05 0.72 -0.07 0.00 -0.37 0.00 0.00 57.07 57.39 3lw3 s TYR 93 Cb -0.14 -2.58 -0.03 0.00 -0.40 0.00 0.00 41.96 38.81 3lw3 s TYR 93 CO -0.05 -0.01 0.07 -0.06 -1.57 0.00 0.00 175.55 173.93 3lw3 s PHE 94 N 1.30 3.08 -0.25 2.71 0.08 0.03 -1.30 117.98 123.64 3lw3 s PHE 94 Ca 0.22 -0.45 -0.06 0.00 0.12 0.00 0.00 56.93 56.76 3lw3 s PHE 94 Cb -0.15 -2.23 -0.02 0.00 -0.57 0.00 0.00 43.02 40.05 3lw3 s PHE 94 CO 0.09 -0.37 0.04 -0.80 -0.10 0.00 0.00 175.22 174.08 3lw3 s ASN 95 N 1.61 4.91 -0.03 1.36 0.02 0.32 -1.46 114.94 121.67 3lw3 s ASN 95 Ca 0.06 -0.30 0.02 0.00 -1.02 0.00 0.00 52.86 51.62 3lw3 s ASN 95 Cb -0.15 -1.87 -0.03 0.00 0.02 0.00 0.00 41.25 39.22 3lw3 s ASN 95 CO 0.03 -0.05 -0.05 0.00 0.02 0.00 0.00 177.10 177.05 3lw3 s ALA 96 N 1.57 3.06 -0.06 0.60 0.00 0.86 -1.63 121.76 126.16 3lw3 s ALA 96 Ca 0.06 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 3lw3 s ALA 96 Cb -0.15 -1.22 0.03 0.00 0.00 0.00 0.00 23.12 21.78 3lw3 s ALA 96 CO 0.02 0.60 0.13 0.99 0.00 0.00 0.00 175.76 177.50 3lw3 s THR 97 N -0.93 -0.04 0.14 0.00 2.01 -0.35 -1.50 115.64 114.97 3lw3 s THR 97 Ca 0.15 0.13 -0.31 0.00 0.31 0.00 0.00 61.69 61.98 3lw3 s THR 97 Cb -0.11 -0.21 -0.10 0.00 0.01 0.00 0.00 72.50 72.09 3lw3 s THR 97 CO 0.05 0.06 1.60 -0.63 -0.69 0.00 0.00 174.62 175.01 3lw3 s ILE 98 N 0.87 2.74 -0.11 1.82 1.01 -0.41 -0.94 121.20 126.18 3lw3 s ILE 98 Ca -0.07 0.44 0.11 0.00 0.00 0.00 0.00 60.65 61.13 3lw3 s ILE 98 Cb -0.09 -3.28 -0.15 0.00 0.01 0.00 0.00 42.46 38.95 3lw3 s ILE 98 CO -0.04 0.02 0.06 0.35 0.00 0.00 0.00 174.94 175.33 3lw3 n THR 99 N 4.21 0.76 -4.02 2.92 -2.24 0.33 -4.90 114.28 111.35 3lw3 n THR 99 Ca 0.15 -0.49 -0.14 0.00 -2.27 0.00 0.00 64.05 61.29 3lw3 n THR 99 Cb 0.39 -0.62 -0.14 0.00 -2.10 0.00 0.00 70.33 67.86 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 -2.33 0.27 -0.21 4.78 3.76 -0.95 -4.98 115.29 115.63 3lw3 s HIS 100 Ca -0.06 -0.05 -0.16 0.00 -0.15 0.00 0.00 55.06 54.65 3lw3 s HIS 100 Cb 0.04 -0.20 0.06 0.00 1.11 0.00 0.00 32.58 33.59 3lw3 s HIS 100 CO 0.49 -0.02 0.54 -0.08 -0.85 0.00 0.00 174.74 174.82 3lw3 s THR 101 N 0.05 -0.01 -0.12 1.30 -1.32 -1.26 -0.48 115.64 113.80 3lw3 s THR 101 Ca -0.00 0.03 0.17 0.00 -1.21 0.00 0.00 61.69 60.68 3lw3 s THR 101 Cb -0.02 -0.77 0.28 0.00 -1.51 0.00 0.00 72.50 70.47 3lw3 s THR 101 CO -0.00 0.01 1.14 -1.54 -2.21 0.00 0.00 174.62 172.02 3lw3 n SER 102 N 3.51 2.13 0.00 8.08 3.41 -0.34 -5.02 113.62 125.39 3lw3 n SER 102 Ca -0.18 -3.05 0.00 0.00 -0.26 0.00 0.00 58.87 55.39 3lw3 n SER 102 Cb 0.57 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3lw3 n SER 102 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3lw3 n SER 103 N -1.31 0.00 -0.36 4.04 7.64 -1.26 -4.37 113.62 118.01 3lw3 n SER 103 Ca 0.15 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.11 3lw3 n SER 103 Cb 0.65 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 64.11 3lw3 n SER 103 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 3lw3 h LYS 104 N 0.00 0.91 -4.23 1.43 2.10 -1.94 -3.39 116.57 111.45 3lw3 h LYS 104 Ca 0.00 -0.05 -0.35 0.00 -2.00 0.00 0.00 60.65 58.25 3lw3 h LYS 104 Cb 0.00 -0.20 -0.30 0.00 -0.90 0.00 0.00 32.23 30.82 3lw3 h LYS 104 CO 0.00 0.60 -0.76 0.21 -2.00 0.00 0.00 179.45 177.50 3lw3 s LYS 105 N -5.93 0.52 0.03 0.07 2.20 -1.26 -1.36 119.74 114.00 3lw3 s LYS 105 Ca -0.12 -0.16 -0.02 0.00 -0.36 0.00 0.00 55.97 55.31 3lw3 s LYS 105 Cb 0.23 -0.53 -0.02 0.00 -1.51 0.00 0.00 37.83 36.00 3lw3 s LYS 105 CO 0.81 0.06 0.02 -1.12 -0.36 0.00 0.00 175.35 174.75 3lw3 s SER 106 N 0.18 0.24 -0.14 1.43 0.01 -0.44 -1.20 113.70 113.79 3lw3 s SER 106 Ca -0.02 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.68 3lw3 s SER 106 Cb -0.06 0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.32 3lw3 s SER 106 CO -0.00 -0.40 -0.14 -0.89 0.41 0.00 0.00 173.24 172.22 3lw3 s THR 107 N -2.10 2.89 -0.12 1.44 2.01 0.37 -0.92 115.64 119.20 3lw3 s THR 107 Ca -0.10 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.22 3lw3 s THR 107 Cb -0.05 -2.21 -0.00 0.00 0.01 0.00 0.00 72.50 70.24 3lw3 s THR 107 CO -0.03 0.52 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.59 3lw3 s ILE 108 N 0.56 2.41 -0.13 1.82 -1.09 0.25 -0.51 121.20 124.51 3lw3 s ILE 108 Ca -0.09 -0.88 -0.13 0.00 -2.23 0.00 0.00 60.65 57.32 3lw3 s ILE 108 Cb -0.16 -1.97 -0.05 0.00 -1.58 0.00 0.00 42.46 38.71 3lw3 s ILE 108 CO 0.04 0.54 0.29 -0.60 -1.23 0.00 0.00 174.94 173.98 3lw3 s ARG 109 N 0.48 4.07 -0.05 2.79 6.06 -0.11 -0.96 118.95 131.22 3lw3 s ARG 109 Ca -0.13 0.11 0.04 0.00 -2.50 0.00 0.00 55.73 53.25 3lw3 s ARG 109 Cb -0.17 -3.35 0.00 0.00 0.06 0.00 0.00 34.95 31.49 3lw3 s ARG 109 CO 0.05 0.40 -0.16 0.08 -2.50 0.00 0.00 175.30 173.18 3lw3 s VAL 110 N -0.04 1.35 -0.04 7.11 1.01 0.02 -1.21 120.40 128.61 3lw3 s VAL 110 Ca 0.17 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.55 3lw3 s VAL 110 Cb -0.13 -1.18 -0.00 0.00 0.00 0.00 0.00 36.38 35.06 3lw3 s VAL 110 CO 0.05 0.40 -0.17 -1.61 0.00 0.00 0.00 175.10 173.77 3lw3 s GLU 111 N 0.24 1.72 -0.03 2.72 2.02 -0.65 -1.12 118.70 123.61 3lw3 s GLU 111 Ca -0.08 -0.61 0.07 0.00 0.02 0.00 0.00 54.97 54.37 3lw3 s GLU 111 Cb -0.13 -1.52 -0.02 0.00 0.10 0.00 0.00 34.13 32.56 3lw3 s GLU 111 CO 0.03 0.26 -0.23 0.20 0.02 0.00 0.00 175.26 175.54 3lw3 s GLY 112 N -0.03 1.33 0.00 -1.39 0.00 -0.38 -0.53 107.32 106.33 3lw3 s GLY 112 Ca -0.02 -1.08 0.02 0.00 0.00 0.00 0.00 44.72 43.63 3lw3 s GLY 112 CO 0.02 -0.88 -0.07 -0.54 0.00 0.00 0.00 173.10 171.64 3lw3 s GLU 113 N -0.61 0.51 -0.30 2.90 2.02 -0.42 -0.79 118.70 122.02 3lw3 s GLU 113 Ca 0.09 -0.30 -0.05 0.00 0.02 0.00 0.00 54.97 54.73 3lw3 s GLU 113 Cb -0.10 -0.47 0.03 0.00 0.10 0.00 0.00 34.13 33.69 3lw3 s GLU 113 CO -0.00 0.12 0.04 0.12 0.02 0.00 0.00 175.26 175.56 3lw3 s PHE 114 N -0.32 3.18 0.00 1.61 5.99 0.31 -1.98 117.98 126.76 3lw3 s PHE 114 Ca 0.01 -1.37 0.00 0.00 0.00 0.00 0.00 56.93 55.57 3lw3 s PHE 114 Cb -0.03 -2.19 0.00 0.00 0.00 0.00 0.00 43.02 40.79 3lw3 s PHE 114 CO -0.00 -0.69 0.00 -1.33 -0.00 0.00 0.00 175.22 173.20 3lw3 n MET 115 N 4.77 0.00 -0.81 10.12 2.81 -1.26 -1.56 117.12 131.19 3lw3 n MET 115 Ca -0.14 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.79 3lw3 n MET 115 Cb 0.46 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 33.03 3lw3 n MET 115 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 3lw3 n GLU 116 N 1.04 0.44 -3.61 0.03 0.28 -1.26 -5.01 120.64 112.54 3lw3 n GLU 116 Ca 0.00 -1.95 -0.36 0.00 -0.16 0.00 0.00 57.16 54.69 3lw3 n GLU 116 Cb 0.00 -0.64 -0.08 0.00 1.43 0.00 0.00 31.44 32.14 3lw3 n GLU 116 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3lw3 s ILE 117 N -0.93 5.34 -0.38 3.84 -1.09 -0.60 -5.05 121.20 122.32 3lw3 s ILE 117 Ca 0.23 0.35 -0.28 0.00 -2.23 0.00 0.00 60.65 58.72 3lw3 s ILE 117 Cb 0.24 -3.56 0.02 0.00 -1.58 0.00 0.00 42.46 37.58 3lw3 s ILE 117 CO -0.07 0.37 1.04 -0.75 -1.23 0.00 0.00 174.94 174.30 3lw3 s LYS 118 N 0.72 3.89 -0.00 2.79 2.20 -1.26 -0.53 119.74 127.54 3lw3 s LYS 118 Ca 0.12 0.76 0.15 0.00 -0.36 0.00 0.00 55.97 56.63 3lw3 s LYS 118 Cb -0.13 -3.81 -0.17 0.00 -1.51 0.00 0.00 37.83 32.21 3lw3 s LYS 118 CO 0.03 -1.05 0.57 1.33 -0.36 0.00 0.00 175.35 175.87 3lw3 n VAL 119 N 6.17 0.00 -3.73 4.02 0.24 0.03 -4.79 118.33 120.26 3lw3 n VAL 119 Ca 0.10 -0.19 -0.14 0.00 -2.04 0.00 0.00 64.34 62.08 3lw3 n VAL 119 Cb 0.48 0.86 -0.09 0.00 -1.47 0.00 0.00 33.84 33.62 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 -2.49 -0.37 -0.13 6.34 5.36 -0.96 -0.98 117.98 124.75 3lw3 s PHE 120 Ca 0.04 0.82 -0.14 0.00 -0.96 0.00 0.00 56.93 56.68 3lw3 s PHE 120 Cb 0.11 0.15 0.04 0.00 -0.34 0.00 0.00 43.02 42.98 3lw3 s PHE 120 CO 0.60 -0.30 0.39 -1.83 -1.46 0.00 0.00 175.22 172.62 3lw3 s GLU 121 N -0.42 0.50 0.11 10.12 -1.05 -0.87 -1.25 118.70 125.85 3lw3 s GLU 121 Ca -0.05 0.45 -0.25 0.00 -0.15 0.00 0.00 54.97 54.97 3lw3 s GLU 121 Cb -0.03 0.24 0.07 0.00 -0.44 0.00 0.00 34.13 33.97 3lw3 s GLU 121 CO 0.03 -0.08 0.80 0.20 0.95 0.00 0.00 175.26 177.16 3lw3 s GLY 122 N -0.00 -0.41 -0.13 -3.83 0.00 -0.28 -0.68 107.32 102.00 3lw3 s GLY 122 Ca -0.02 0.50 -0.01 0.00 0.00 0.00 0.00 44.72 45.18 3lw3 s GLY 122 CO 0.01 0.16 -0.09 0.99 0.00 0.00 0.00 173.10 174.17 3lw3 s ASP 123 N -2.72 4.39 -0.15 1.64 1.01 0.20 -0.80 116.67 120.25 3lw3 s ASP 123 Ca 0.06 -0.21 0.00 0.00 0.71 0.00 0.00 52.55 53.11 3lw3 s ASP 123 Cb -0.02 -1.60 -0.00 0.00 1.01 0.00 0.00 42.92 42.31 3lw3 s ASP 123 CO -0.05 0.19 -0.15 -0.36 0.21 0.00 0.00 175.17 175.01 3lw3 s PHE 124 N 0.19 2.78 -0.17 4.23 0.08 -0.13 -1.21 117.98 123.74 3lw3 s PHE 124 Ca -0.05 -0.98 -0.13 0.00 0.12 0.00 0.00 56.93 55.89 3lw3 s PHE 124 Cb -0.15 -1.88 -0.05 0.00 -0.57 0.00 0.00 43.02 40.38 3lw3 s PHE 124 CO 0.04 -0.43 0.27 -1.21 -0.10 0.00 0.00 175.22 173.78 3lw3 s GLU 125 N 0.74 4.23 -0.09 0.44 0.41 0.14 -0.59 118.70 123.98 3lw3 s GLU 125 Ca -0.07 0.04 0.02 0.00 -0.41 0.00 0.00 54.97 54.55 3lw3 s GLU 125 Cb -0.15 -3.44 0.01 0.00 -1.78 0.00 0.00 34.13 28.77 3lw3 s GLU 125 CO 0.01 0.22 -0.16 0.42 -0.49 0.00 0.00 175.26 175.26 3lw3 s ILE 126 N 0.55 1.49 -0.09 -1.63 1.01 -0.10 -0.69 121.20 121.75 3lw3 s ILE 126 Ca 0.15 -0.67 -0.06 0.00 0.00 0.00 0.00 60.65 60.07 3lw3 s ILE 126 Cb -0.13 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 3lw3 s ILE 126 CO 0.03 0.44 0.16 -0.76 0.00 0.00 0.00 174.94 174.81 3lw3 s LEU 127 N 0.75 4.39 -0.01 2.97 1.43 0.03 -1.32 118.68 126.92 3lw3 s LEU 127 Ca -0.12 0.46 0.08 0.00 -1.03 0.00 0.00 54.13 53.52 3lw3 s LEU 127 Cb -0.16 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 3lw3 s LEU 127 CO 0.02 0.37 -0.24 -0.69 0.23 0.00 0.00 176.35 176.05 3lw3 s VAL 128 N -1.10 1.90 -0.10 -1.59 1.01 -0.46 -0.95 120.40 119.10 3lw3 s VAL 128 Ca 0.18 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 61.11 3lw3 s VAL 128 Cb -0.12 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.68 3lw3 s VAL 128 CO 0.08 0.51 0.53 0.49 0.00 0.00 0.00 175.10 176.70