#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l4s n MET 2 N 0.00 0.73 -4.03 1.09 3.85 -1.26 -4.86 117.12 112.64 1l4s n MET 2 Ca 0.00 -2.67 -0.31 0.00 -1.00 0.00 0.00 57.70 53.72 1l4s n MET 2 Cb 0.00 -0.00 -0.16 0.00 -1.05 0.00 0.00 33.22 32.01 1l4s n MET 2 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1l4s s ASN 3 N -3.84 3.81 -0.18 3.17 3.84 -0.73 -5.03 114.94 115.99 1l4s s ASN 3 Ca 0.40 -1.08 -0.04 0.00 0.21 0.00 0.00 52.86 52.35 1l4s s ASN 3 Cb -0.03 -1.37 -0.02 0.00 -0.55 0.00 0.00 41.25 39.27 1l4s s ASN 3 CO 0.26 -0.16 -0.04 -0.63 -2.79 0.00 0.00 177.10 173.74 1l4s s ILE 4 N 1.27 3.72 0.15 -5.21 1.01 -1.26 0.29 121.20 121.18 1l4s s ILE 4 Ca -0.04 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.23 1l4s s ILE 4 Cb -0.18 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1l4s s ILE 4 CO -0.07 0.47 -0.04 0.42 0.00 0.00 0.00 174.94 175.71 1l4s s THR 5 N 0.73 0.79 -0.28 2.92 -4.23 0.29 -4.93 115.64 110.93 1l4s s THR 5 Ca -0.02 -1.98 -0.22 0.00 -1.18 0.00 0.00 61.69 58.29 1l4s s THR 5 Cb -0.14 -1.94 0.10 0.00 1.34 0.00 0.00 72.50 71.86 1l4s s THR 5 CO 0.02 -0.64 0.86 -0.94 -0.54 0.00 0.00 174.62 173.38 1l4s s SER 6 N -3.14 -0.64 -0.20 3.99 1.04 -1.26 -0.04 113.70 113.45 1l4s s SER 6 Ca 0.19 1.15 0.15 0.00 0.48 0.00 0.00 55.95 57.93 1l4s s SER 6 Cb 0.05 1.21 0.74 0.00 0.10 0.00 0.00 66.02 68.12 1l4s s SER 6 CO 0.01 -0.19 1.66 0.29 0.98 0.00 0.00 173.24 175.99 1l4s n LYS 7 N 3.03 4.29 -0.56 4.02 5.02 -1.24 -4.19 118.16 128.54 1l4s n LYS 7 Ca -0.15 -3.04 0.00 0.00 -2.02 0.00 0.00 58.31 53.10 1l4s n LYS 7 Cb 0.57 -2.10 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 1l4s n LYS 7 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1l4s n GLN 8 N 0.53 0.00 -3.13 1.97 6.02 -1.26 -5.07 117.38 116.43 1l4s n GLN 8 Ca 0.26 -0.98 0.00 0.00 -0.01 0.00 0.00 57.00 56.27 1l4s n GLN 8 Cb 1.07 -0.43 0.00 0.00 1.02 0.00 0.00 30.24 31.90 1l4s n GLN 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1l4s n MET 9 N 0.03 -2.73 -4.42 -1.09 0.00 -1.26 -4.95 117.12 102.70 1l4s n MET 9 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.46 1l4s n MET 9 Cb 0.71 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.84 1l4s n MET 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1l4s s GLU 10 N -1.65 1.87 -0.29 3.17 1.03 -1.26 -4.63 118.70 116.95 1l4s s GLU 10 Ca 0.00 -1.67 -0.18 0.00 0.03 0.00 0.00 54.97 53.15 1l4s s GLU 10 Cb 0.00 -1.89 -0.02 0.00 -0.80 0.00 0.00 34.13 31.42 1l4s s GLU 10 CO 0.00 0.33 0.53 0.42 -1.33 0.00 0.00 175.26 175.22 1l4s s ILE 11 N -2.46 5.04 0.06 1.83 -1.09 -1.26 -5.05 121.20 118.27 1l4s s ILE 11 Ca 0.31 0.77 -0.00 0.00 -2.23 0.00 0.00 60.65 59.49 1l4s s ILE 11 Cb -0.05 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 1l4s s ILE 11 CO 0.17 -0.01 0.21 0.42 -1.23 0.00 0.00 174.94 174.49 1l4s s THR 12 N 2.38 5.37 0.52 2.92 -4.23 -1.26 -4.98 115.64 116.36 1l4s s THR 12 Ca 0.21 -0.39 0.33 0.00 -1.18 0.00 0.00 61.69 60.66 1l4s s THR 12 Cb -0.15 -3.62 0.33 0.00 1.34 0.00 0.00 72.50 70.40 1l4s s THR 12 CO 0.10 0.15 2.00 -0.65 -0.54 0.00 0.00 174.62 175.68 1l4s h PRO 13 N 3.11 0.00 0.25 3.99 0.11 -1.98 0.57 132.00 138.05 1l4s h PRO 13 Ca -0.45 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.32 1l4s h PRO 13 Cb 1.16 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.31 1l4s h PRO 13 CO 0.76 0.00 -1.53 0.00 -0.21 0.00 0.00 178.00 177.02 1l4s h ALA 14 N 1.62 -0.12 -0.03 -0.75 0.00 -1.97 -0.90 119.26 117.11 1l4s h ALA 14 Ca 0.00 -0.90 -0.15 0.00 0.00 0.00 0.00 54.91 53.86 1l4s h ALA 14 Cb 0.36 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1l4s h ALA 14 CO 0.00 0.74 -0.66 0.82 0.00 0.00 0.00 179.25 180.15 1l4s h ILE 15 N 0.14 1.43 -0.06 0.00 2.04 -1.43 0.20 117.51 119.84 1l4s h ILE 15 Ca -0.27 -2.17 -0.05 0.00 1.00 0.00 0.00 64.86 63.37 1l4s h ILE 15 Cb 2.17 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 40.39 1l4s h ILE 15 CO 0.26 0.63 -0.17 0.03 0.00 0.00 0.00 178.15 178.91 1l4s h ARG 16 N 0.10 0.22 -0.32 2.37 2.47 -1.04 -2.57 114.38 115.61 1l4s h ARG 16 Ca -0.01 -0.16 -0.09 0.00 -1.26 0.00 0.00 59.98 58.46 1l4s h ARG 16 Cb 1.18 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.51 1l4s h ARG 16 CO 0.10 0.77 -0.20 0.37 0.56 0.00 0.00 179.97 181.57 1l4s h GLN 17 N -0.28 0.59 0.42 0.04 4.15 -1.11 0.43 115.11 119.34 1l4s h GLN 17 Ca -0.00 -0.21 -0.02 0.00 0.77 0.00 0.00 58.65 59.19 1l4s h GLN 17 Cb 0.78 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.43 1l4s h GLN 17 CO 0.04 0.76 -0.24 1.25 -1.93 0.00 0.00 178.83 178.71 1l4s h HIS 18 N 0.53 -0.62 -0.36 3.99 2.76 -0.59 0.59 115.15 121.45 1l4s h HIS 18 Ca 0.08 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1l4s h HIS 18 Cb 0.64 0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.79 1l4s h HIS 18 CO 0.03 -0.36 0.21 0.28 -1.30 0.00 0.00 177.93 176.78 1l4s h VAL 19 N -0.60 1.13 -0.24 5.26 2.07 -1.48 -2.55 116.25 119.83 1l4s h VAL 19 Ca -0.06 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.19 1l4s h VAL 19 Cb 0.48 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1l4s h VAL 19 CO 0.07 0.13 -0.05 0.00 0.02 0.00 0.00 177.57 177.75 1l4s h ALA 20 N 1.08 0.17 -0.13 1.67 0.00 -0.11 -0.65 119.26 121.29 1l4s h ALA 20 Ca 0.13 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1l4s h ALA 20 Cb 0.03 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1l4s h ALA 20 CO -0.02 -0.46 0.10 0.38 0.00 0.00 0.00 179.25 179.25 1l4s h ASP 21 N 0.02 0.00 0.86 0.00 3.04 0.35 0.61 116.42 121.29 1l4s h ASP 21 Ca 0.12 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 53.77 1l4s h ASP 21 Cb 0.17 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.44 1l4s h ASP 21 CO -0.24 0.00 -0.66 0.03 -2.04 0.00 0.00 179.24 176.34 1l4s h ARG 22 N 0.00 0.00 -0.02 4.15 2.47 -0.74 -2.98 114.38 117.26 1l4s h ARG 22 Ca 0.06 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.78 1l4s h ARG 22 Cb 0.26 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1l4s h ARG 22 CO -0.00 0.66 -0.01 -0.07 0.56 0.00 0.00 179.97 181.10 1l4s h LEU 23 N 0.00 0.04 -2.18 3.04 3.38 0.15 -1.68 115.31 118.07 1l4s h LEU 23 Ca -0.01 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.51 1l4s h LEU 23 Cb 1.26 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1l4s h LEU 23 CO 0.09 0.50 0.04 0.00 0.09 0.00 0.00 178.44 179.16 1l4s h ALA 24 N 0.54 1.86 0.06 1.53 0.00 -1.47 -0.93 119.26 120.86 1l4s h ALA 24 Ca 0.00 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 1l4s h ALA 24 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1l4s h ALA 24 CO 0.00 -0.07 -1.10 -0.22 0.00 0.00 0.00 179.25 177.86 1l4s h LYS 25 N 0.00 0.16 -2.71 0.00 3.64 -1.40 -3.35 116.57 112.92 1l4s h LYS 25 Ca 0.02 -0.25 -0.56 0.00 -1.27 0.00 0.00 60.65 58.60 1l4s h LYS 25 Cb 0.11 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1l4s h LYS 25 CO -0.00 1.10 2.66 1.28 -2.27 0.00 0.00 179.45 182.22 1l4s n LEU 26 N -3.48 7.83 0.26 5.20 4.77 -0.35 -4.65 117.00 126.58 1l4s n LEU 26 Ca -0.05 -4.12 -0.10 0.00 -0.03 0.00 0.00 56.01 51.72 1l4s n LEU 26 Cb 0.96 -1.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.50 1l4s n LEU 26 CO 0.50 1.98 0.41 -0.33 -1.33 0.00 0.00 177.39 178.62 1l4s h GLU 27 N 4.44 -0.65 -0.87 3.23 5.08 -1.71 0.35 114.58 124.47 1l4s h GLU 27 Ca 0.69 0.04 0.25 0.00 -1.00 0.00 0.00 59.36 59.35 1l4s h GLU 27 Cb 0.59 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1l4s h GLU 27 CO 1.37 -0.43 0.77 1.57 -1.00 0.00 0.00 179.01 181.30 1l4s h LYS 28 N -0.81 0.00 0.11 2.33 5.09 -1.95 0.35 116.57 121.69 1l4s h LYS 28 Ca -0.07 0.00 -0.31 0.00 0.09 0.00 0.00 60.65 60.36 1l4s h LYS 28 Cb 0.51 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.83 1l4s h LYS 28 CO 0.11 0.00 -1.63 -1.49 -2.09 0.00 0.00 179.45 174.35 1l4s h TRP 29 N 0.00 0.41 0.28 0.07 4.06 -1.88 -3.37 115.95 115.51 1l4s h TRP 29 Ca 0.41 -0.30 0.01 0.00 2.06 0.00 0.00 58.89 61.07 1l4s h TRP 29 Cb 1.96 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 30.07 1l4s h TRP 29 CO 0.00 1.41 -0.36 1.96 -3.56 0.00 0.00 178.44 177.88 1l4s h GLN 30 N 0.06 -0.67 0.00 0.49 4.20 0.39 -3.42 115.11 116.16 1l4s h GLN 30 Ca -0.28 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1l4s h GLN 30 Cb 2.02 0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.95 1l4s h GLN 30 CO 0.14 -0.44 0.00 -2.37 -0.67 0.00 0.00 178.83 175.49 1l4s n THR 31 N -5.46 0.00 -3.90 -0.54 5.66 -1.07 -3.80 114.28 105.17 1l4s n THR 31 Ca -0.09 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.64 1l4s n THR 31 Cb 0.36 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 68.98 1l4s n THR 31 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1l4s s HIS 32 N 0.00 1.58 -0.02 1.09 3.76 -1.26 -5.12 115.29 115.32 1l4s s HIS 32 Ca 0.00 -0.90 -0.10 0.00 -0.15 0.00 0.00 55.06 53.90 1l4s s HIS 32 Cb 0.00 -1.27 0.01 0.00 1.11 0.00 0.00 32.58 32.43 1l4s s HIS 32 CO 0.00 -0.56 0.23 -0.51 -0.85 0.00 0.00 174.74 173.04 1l4s s LEU 33 N 1.68 1.18 -0.11 0.89 1.43 -1.25 -4.60 118.68 117.90 1l4s s LEU 33 Ca 0.03 0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 53.14 1l4s s LEU 33 Cb -0.14 0.94 0.06 0.00 0.03 0.00 0.00 46.19 47.08 1l4s s LEU 33 CO -0.08 -0.34 0.20 -0.63 0.23 0.00 0.00 176.35 175.73 1l4s s ILE 34 N -1.05 -0.33 -0.52 -0.59 1.09 0.44 -4.93 121.20 115.31 1l4s s ILE 34 Ca -0.11 0.29 -0.01 0.00 -1.10 0.00 0.00 60.65 59.71 1l4s s ILE 34 Cb -0.05 -0.38 -0.02 0.00 -1.06 0.00 0.00 42.46 40.94 1l4s s ILE 34 CO 0.02 0.11 0.45 0.59 -0.10 0.00 0.00 174.94 176.01 1l4s n ASN 35 N 5.33 -3.14 -4.71 3.58 5.03 -1.26 -3.45 115.26 116.63 1l4s n ASN 35 Ca -0.05 -0.31 -0.42 0.00 0.87 0.00 0.00 54.58 54.67 1l4s n ASN 35 Cb 0.50 -2.68 -0.03 0.00 -1.02 0.00 0.00 39.78 36.55 1l4s n ASN 35 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1l4s s PRO 36 N -4.12 4.23 -0.03 3.52 0.04 -1.26 -4.64 135.00 132.74 1l4s s PRO 36 Ca 0.11 2.31 -0.00 0.00 0.04 0.00 0.00 61.00 63.46 1l4s s PRO 36 Cb -0.01 -3.23 0.03 0.00 0.04 0.00 0.00 34.50 31.32 1l4s s PRO 36 CO 0.34 -0.60 0.03 -1.58 0.04 0.00 0.00 177.00 175.23 1l4s s HIS 37 N 1.36 0.11 -0.05 0.56 2.46 -1.12 -1.77 115.29 116.84 1l4s s HIS 37 Ca 0.70 0.12 0.06 0.00 0.47 0.00 0.00 55.06 56.41 1l4s s HIS 37 Cb -0.42 -0.34 -0.01 0.00 -0.13 0.00 0.00 32.58 31.68 1l4s s HIS 37 CO 0.31 -0.12 -0.24 0.42 -2.47 0.00 0.00 174.74 172.64 1l4s s ILE 38 N 1.31 1.96 0.06 0.89 1.09 0.15 -1.68 121.20 124.98 1l4s s ILE 38 Ca -0.06 -1.03 0.08 0.00 -1.10 0.00 0.00 60.65 58.54 1l4s s ILE 38 Cb -0.13 -1.65 -0.03 0.00 -1.06 0.00 0.00 42.46 39.58 1l4s s ILE 38 CO -0.03 0.55 -0.20 -0.63 -0.10 0.00 0.00 174.94 174.53 1l4s s ILE 39 N -0.26 2.68 -0.10 2.92 1.01 0.19 -0.54 121.20 127.10 1l4s s ILE 39 Ca -0.00 -1.30 0.03 0.00 0.00 0.00 0.00 60.65 59.38 1l4s s ILE 39 Cb -0.12 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.21 1l4s s ILE 39 CO 0.02 0.29 -0.19 -0.76 0.00 0.00 0.00 174.94 174.30 1l4s s LEU 40 N -1.57 1.90 0.00 2.97 1.43 0.94 -0.57 118.68 123.79 1l4s s LEU 40 Ca 0.15 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1l4s s LEU 40 Cb -0.10 -1.20 -0.00 0.00 0.03 0.00 0.00 46.19 44.91 1l4s s LEU 40 CO 0.06 0.08 0.02 -1.20 0.23 0.00 0.00 176.35 175.54 1l4s n SER 41 N 3.83 1.70 -3.58 2.29 7.64 0.15 -3.61 113.62 122.03 1l4s n SER 41 Ca -0.20 -1.56 -0.14 0.00 1.01 0.00 0.00 58.87 57.97 1l4s n SER 41 Cb 0.52 0.18 -0.06 0.00 -1.01 0.00 0.00 64.21 63.83 1l4s n SER 41 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1l4s s LYS 42 N -2.43 0.83 0.27 1.43 2.36 -1.26 -2.31 119.74 118.63 1l4s s LYS 42 Ca 0.03 0.53 0.02 0.00 -2.55 0.00 0.00 55.97 53.99 1l4s s LYS 42 Cb 0.00 0.40 -0.05 0.00 -1.05 0.00 0.00 37.83 37.13 1l4s s LYS 42 CO 0.02 -0.19 0.09 -1.21 1.55 0.00 0.00 175.35 175.60 1l4s s GLU 43 N -0.46 1.44 0.55 4.03 2.02 0.26 -4.93 118.70 121.61 1l4s s GLU 43 Ca -0.04 -1.78 0.27 0.00 0.02 0.00 0.00 54.97 53.44 1l4s s GLU 43 Cb -0.02 -0.35 1.61 0.00 0.10 0.00 0.00 34.13 35.48 1l4s s GLU 43 CO 0.03 -0.28 2.18 -1.35 0.02 0.00 0.00 175.26 175.86 1l4s h PRO 44 N 2.35 0.00 -0.00 0.39 0.11 -2.03 -1.66 132.00 131.16 1l4s h PRO 44 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1l4s h PRO 44 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1l4s h PRO 44 CO 0.62 0.05 -0.44 0.94 -0.21 0.00 0.00 178.00 178.96 1l4s n GLN 45 N -3.87 0.27 -2.49 1.05 0.00 -1.26 -5.05 117.38 106.03 1l4s n GLN 45 Ca -0.03 -0.16 0.00 0.00 -0.00 0.00 0.00 57.00 56.81 1l4s n GLN 45 Cb 0.14 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.88 1l4s n GLN 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1l4s n GLY 46 N 1.45 -0.44 3.78 1.69 0.00 -0.62 -4.59 105.19 106.46 1l4s n GLY 46 Ca 0.08 -1.48 -0.27 0.00 0.00 0.00 0.00 46.02 44.35 1l4s n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1l4s s PHE 47 N -2.66 3.13 0.00 1.61 0.40 -0.84 0.89 117.98 120.51 1l4s s PHE 47 Ca 0.00 -0.01 0.05 0.00 -0.60 0.00 0.00 56.93 56.37 1l4s s PHE 47 Cb 0.00 -1.52 -0.02 0.00 0.51 0.00 0.00 43.02 41.99 1l4s s PHE 47 CO 0.00 0.52 -0.16 0.08 0.70 0.00 0.00 175.22 176.35 1l4s s VAL 48 N -1.68 1.30 -0.08 -0.44 1.01 -0.98 -2.63 120.40 116.91 1l4s s VAL 48 Ca 0.30 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 1l4s s VAL 48 Cb -0.10 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1l4s s VAL 48 CO 0.23 0.29 -0.04 0.00 0.00 0.00 0.00 175.10 175.58 1l4s s ALA 49 N -0.49 0.91 0.14 5.51 0.00 0.30 0.33 121.76 128.45 1l4s s ALA 49 Ca 0.06 -0.25 0.11 0.00 0.00 0.00 0.00 51.96 51.88 1l4s s ALA 49 Cb -0.07 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 1l4s s ALA 49 CO -0.00 -0.29 -0.25 -0.51 0.00 0.00 0.00 175.76 174.70 1l4s s ASP 50 N 1.53 3.41 -0.10 0.00 1.11 0.27 -0.36 116.67 122.53 1l4s s ASP 50 Ca -0.01 -0.75 -0.09 0.00 0.18 0.00 0.00 52.55 51.88 1l4s s ASP 50 Cb -0.13 -0.26 0.03 0.00 1.07 0.00 0.00 42.92 43.62 1l4s s ASP 50 CO -0.04 0.17 0.27 0.00 1.18 0.00 0.00 175.17 176.75 1l4s s ALA 51 N -1.18 -0.66 -0.03 5.23 0.00 -0.47 0.53 121.76 125.19 1l4s s ALA 51 Ca 0.16 0.76 0.01 0.00 0.00 0.00 0.00 51.96 52.89 1l4s s ALA 51 Cb -0.10 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.59 1l4s s ALA 51 CO 0.07 -0.13 -0.04 0.99 0.00 0.00 0.00 175.76 176.65 1l4s s THR 52 N 0.17 0.47 -0.02 0.00 2.01 -0.67 -2.15 115.64 115.45 1l4s s THR 52 Ca -0.00 -0.14 0.02 0.00 0.31 0.00 0.00 61.69 61.87 1l4s s THR 52 Cb -0.02 -0.47 0.01 0.00 0.01 0.00 0.00 72.50 72.03 1l4s s THR 52 CO 0.00 0.18 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.43 1l4s s ILE 53 N 0.56 0.54 -0.26 1.82 1.01 -0.96 -2.80 121.20 121.11 1l4s s ILE 53 Ca -0.07 -0.22 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 1l4s s ILE 53 Cb -0.10 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.83 1l4s s ILE 53 CO -0.00 0.19 0.11 0.20 0.00 0.00 0.00 174.94 175.43 1l4s s ASN 54 N 0.29 5.41 0.37 3.58 0.01 -1.22 -1.78 114.94 121.60 1l4s s ASN 54 Ca -0.04 -0.18 0.08 0.00 -0.71 0.00 0.00 52.86 52.02 1l4s s ASN 54 Cb -0.08 -1.98 -0.05 0.00 0.41 0.00 0.00 41.25 39.55 1l4s s ASN 54 CO -0.00 -0.05 0.16 0.42 -1.51 0.00 0.00 177.10 176.12 1l4s s THR 55 N 1.66 2.71 -1.22 1.60 -4.23 0.15 -0.42 115.64 115.89 1l4s s THR 55 Ca 0.06 -1.70 0.17 0.00 -1.18 0.00 0.00 61.69 59.04 1l4s s THR 55 Cb -0.15 -2.97 0.22 0.00 1.34 0.00 0.00 72.50 70.94 1l4s s THR 55 CO 0.06 -0.11 1.52 -2.65 -0.54 0.00 0.00 174.62 172.90 1l4s n PRO 56 N -1.19 0.12 0.00 3.99 -0.02 -1.26 -2.74 135.00 133.90 1l4s n PRO 56 Ca -0.02 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1l4s n PRO 56 Cb 0.63 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 1l4s n PRO 56 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1l4s n ASN 57 N -1.39 0.55 0.00 2.55 4.13 -1.26 -5.11 115.26 114.73 1l4s n ASN 57 Ca 0.06 -0.78 0.00 0.00 1.68 0.00 0.00 54.58 55.54 1l4s n ASN 57 Cb 0.17 0.44 0.00 0.00 -1.54 0.00 0.00 39.78 38.84 1l4s n ASN 57 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1l4s n GLY 58 N 0.44 -1.36 3.12 7.41 0.00 -1.11 -5.15 105.19 108.54 1l4s n GLY 58 Ca 0.00 -1.21 -0.21 0.00 0.00 0.00 0.00 46.02 44.60 1l4s n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1l4s s VAL 59 N -3.00 1.07 0.15 1.61 1.01 -1.26 0.33 120.40 120.30 1l4s s VAL 59 Ca 0.00 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.27 1l4s s VAL 59 Cb 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1l4s s VAL 59 CO 0.00 0.12 -0.22 -0.76 0.00 0.00 0.00 175.10 174.24 1l4s s LEU 60 N -0.78 2.52 0.00 3.92 1.43 -0.73 -5.01 118.68 120.03 1l4s s LEU 60 Ca 0.03 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.42 1l4s s LEU 60 Cb -0.07 -1.35 -0.00 0.00 0.03 0.00 0.00 46.19 44.80 1l4s s LEU 60 CO 0.00 0.16 0.01 -0.69 0.23 0.00 0.00 176.35 176.06 1l4s s VAL 61 N -1.28 0.04 0.00 -1.59 1.01 -1.26 -2.27 120.40 115.05 1l4s s VAL 61 Ca 0.18 -0.31 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 1l4s s VAL 61 Cb -0.10 -0.12 0.03 0.00 0.00 0.00 0.00 36.38 36.19 1l4s s VAL 61 CO 0.09 -0.17 0.35 0.00 0.00 0.00 0.00 175.10 175.37 1l4s s ALA 62 N -0.51 -0.87 0.05 5.51 0.00 -0.91 -4.87 121.76 120.16 1l4s s ALA 62 Ca -0.06 0.33 -0.07 0.00 0.00 0.00 0.00 51.96 52.16 1l4s s ALA 62 Cb -0.04 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 1l4s s ALA 62 CO -0.00 -0.33 0.14 0.45 0.00 0.00 0.00 175.76 176.02 1l4s s SER 63 N -1.57 0.13 -0.28 0.00 0.15 -1.26 -1.36 113.70 109.51 1l4s s SER 63 Ca -0.10 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.04 1l4s s SER 63 Cb -0.03 0.26 0.14 0.00 -1.71 0.00 0.00 66.02 64.68 1l4s s SER 63 CO 0.02 -0.56 0.35 -0.83 1.20 0.00 0.00 173.24 173.42 1l4s s GLY 64 N -2.24 -0.35 -0.68 9.45 0.00 0.52 -4.26 107.32 109.75 1l4s s GLY 64 Ca -0.03 0.12 -0.00 0.00 0.00 0.00 0.00 44.72 44.80 1l4s s GLY 64 CO -0.05 2.79 1.87 0.28 0.00 0.00 0.00 173.10 177.98 1l4s n LYS 65 N 5.34 2.87 -2.03 2.90 5.02 -1.26 -0.54 118.16 130.47 1l4s n LYS 65 Ca -0.01 -3.57 -0.32 0.00 -2.02 0.00 0.00 58.31 52.38 1l4s n LYS 65 Cb 0.48 -2.28 0.01 0.00 -0.02 0.00 0.00 35.03 33.22 1l4s n LYS 65 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1l4s s HIS 66 N -3.87 3.11 0.54 2.13 2.46 -1.08 -4.67 115.29 113.90 1l4s s HIS 66 Ca 0.57 1.48 0.25 0.00 0.47 0.00 0.00 55.06 57.83 1l4s s HIS 66 Cb 0.46 -2.94 1.58 0.00 -0.13 0.00 0.00 32.58 31.55 1l4s s HIS 66 CO -0.17 -0.99 2.19 0.93 -2.47 0.00 0.00 174.74 174.23 1l4s h GLU 67 N 0.32 0.00 -5.14 2.88 5.08 -1.81 -2.25 114.58 113.66 1l4s h GLU 67 Ca -0.46 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.27 1l4s h GLU 67 Cb 1.21 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.32 1l4s h GLU 67 CO 0.58 0.03 -0.35 0.34 -1.00 0.00 0.00 179.01 178.62 1l4s s ASP 68 N -6.45 6.21 0.20 1.42 -1.08 -1.26 -3.87 116.67 111.84 1l4s s ASP 68 Ca -0.05 0.23 -0.16 0.00 -0.52 0.00 0.00 52.55 52.06 1l4s s ASP 68 Cb 0.15 -2.17 0.18 0.00 -1.46 0.00 0.00 42.92 39.62 1l4s s ASP 68 CO 0.59 -0.08 1.62 -0.03 0.52 0.00 0.00 175.17 177.80 1l4s h MET 69 N 7.91 -0.05 -0.48 4.34 1.85 -1.89 0.74 114.93 127.34 1l4s h MET 69 Ca -0.35 0.00 -0.09 0.00 -0.61 0.00 0.00 59.70 58.66 1l4s h MET 69 Cb 1.17 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 33.19 1l4s h MET 69 CO 0.64 -0.04 -0.05 1.88 -0.40 0.00 0.00 176.91 178.95 1l4s h TYR 70 N -0.06 0.90 -0.63 1.39 -1.99 -1.95 -2.53 116.97 112.11 1l4s h TYR 70 Ca 0.26 -0.15 -0.06 0.00 2.00 0.00 0.00 58.73 60.78 1l4s h TYR 70 Cb 0.46 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 38.93 1l4s h TYR 70 CO -0.51 0.85 0.14 1.15 -0.00 0.00 0.00 178.16 179.80 1l4s h THR 71 N 0.77 1.26 -0.17 -2.88 2.02 -1.56 -1.06 112.91 111.29 1l4s h THR 71 Ca 0.14 -0.94 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 1l4s h THR 71 Cb 0.53 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1l4s h THR 71 CO 0.03 0.35 0.09 0.00 0.37 0.00 0.00 175.52 176.37 1l4s h ALA 72 N 1.05 0.21 -0.45 6.16 0.00 -0.73 0.38 119.26 125.88 1l4s h ALA 72 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1l4s h ALA 72 Cb 0.37 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1l4s h ALA 72 CO 0.00 -0.26 0.29 0.82 0.00 0.00 0.00 179.25 180.10 1l4s h ILE 73 N 0.17 1.12 -0.71 0.00 2.04 -1.31 0.14 117.51 118.96 1l4s h ILE 73 Ca 0.06 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 1l4s h ILE 73 Cb 0.06 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1l4s h ILE 73 CO -0.01 0.12 0.19 0.78 0.00 0.00 0.00 178.15 179.23 1l4s h ASN 74 N 0.60 1.05 -0.33 1.72 2.35 -0.95 -2.55 115.58 117.47 1l4s h ASN 74 Ca 0.16 -0.21 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 1l4s h ASN 74 Cb -0.05 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.03 1l4s h ASN 74 CO -0.03 1.00 0.05 -0.33 -1.65 0.00 0.00 177.43 176.46 1l4s h GLU 75 N 1.06 0.55 0.15 0.81 5.08 0.26 -0.84 114.58 121.66 1l4s h GLU 75 Ca 0.23 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1l4s h GLU 75 Cb 0.34 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1l4s h GLU 75 CO -0.00 0.64 -0.45 1.25 -1.00 0.00 0.00 179.01 179.45 1l4s h LEU 76 N 0.38 -1.32 -1.76 1.33 6.46 -0.53 0.66 115.31 120.53 1l4s h LEU 76 Ca 0.10 0.14 0.08 0.00 -0.12 0.00 0.00 57.88 58.08 1l4s h LEU 76 Cb 0.36 0.49 -0.03 0.00 -0.73 0.00 0.00 40.66 40.75 1l4s h LEU 76 CO 0.01 -0.52 0.31 0.40 -0.62 0.00 0.00 178.44 178.02 1l4s h ILE 77 N -0.71 0.91 -0.09 4.05 2.04 -1.43 0.34 117.51 122.64 1l4s h ILE 77 Ca 0.01 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.79 1l4s h ILE 77 Cb 0.71 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1l4s h ILE 77 CO -0.24 0.05 0.07 -1.13 0.00 0.00 0.00 178.15 176.91 1l4s h ASN 78 N 0.29 0.00 0.91 1.72 -0.73 0.59 0.35 115.58 118.72 1l4s h ASN 78 Ca 0.21 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 58.20 1l4s h ASN 78 Cb 0.45 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.01 1l4s h ASN 78 CO -0.04 0.00 -1.17 0.11 -0.37 0.00 0.00 177.43 175.95 1l4s h LYS 79 N 0.00 0.00 0.00 6.67 6.56 0.75 -2.48 116.57 128.08 1l4s h LYS 79 Ca 0.04 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1l4s h LYS 79 Cb 0.18 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.84 1l4s h LYS 79 CO -0.00 0.47 -0.00 -0.07 -2.06 0.00 0.00 179.45 177.79 1l4s h LEU 80 N 0.00 -0.00 -0.51 2.94 3.38 -0.17 0.36 115.31 121.31 1l4s h LEU 80 Ca -0.12 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1l4s h LEU 80 Cb 1.63 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.35 1l4s h LEU 80 CO 0.07 0.14 0.31 -0.08 0.09 0.00 0.00 178.44 178.97 1l4s h GLU 81 N -0.14 0.69 -0.63 1.13 4.81 -1.39 0.11 114.58 119.16 1l4s h GLU 81 Ca -0.00 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1l4s h GLU 81 Cb 0.14 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1l4s h GLU 81 CO 0.00 0.50 0.24 0.07 -0.73 0.00 0.00 179.01 179.09 1l4s h ARG 82 N 0.68 0.93 -0.10 1.92 0.11 -1.15 -1.39 114.38 115.38 1l4s h ARG 82 Ca 0.18 -0.15 -0.23 0.00 0.10 0.00 0.00 59.98 59.88 1l4s h ARG 82 Cb -0.01 -0.16 0.01 0.00 1.11 0.00 0.00 29.97 30.93 1l4s h ARG 82 CO -0.03 0.76 -0.83 1.96 0.10 0.00 0.00 179.97 181.93 1l4s h GLN 83 N 0.91 0.73 0.00 0.08 4.20 0.12 -3.08 115.11 118.07 1l4s h GLN 83 Ca 0.21 -0.66 -0.02 0.00 0.06 0.00 0.00 58.65 58.24 1l4s h GLN 83 Cb 0.19 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1l4s h GLN 83 CO -0.02 1.26 -0.10 -0.07 -0.67 0.00 0.00 178.83 179.23 1l4s h LEU 84 N 0.44 0.00 -1.95 1.46 3.38 -0.55 -1.77 115.31 116.32 1l4s h LEU 84 Ca -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1l4s h LEU 84 Cb 1.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.22 1l4s h LEU 84 CO 0.17 0.10 -0.10 -1.13 0.09 0.00 0.00 178.44 177.57 1l4s h ASN 85 N 0.00 0.00 1.19 -0.43 -0.73 -1.16 -0.69 115.58 113.76 1l4s h ASN 85 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1l4s h ASN 85 Cb 0.32 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.91 1l4s h ASN 85 CO 0.01 0.10 0.00 0.11 -0.37 0.00 0.00 177.43 177.28 1l4s h LYS 86 N 0.00 0.00 0.15 6.67 1.79 -1.43 -2.46 116.57 121.30 1l4s h LYS 86 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1l4s h LYS 86 Cb 0.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1l4s h LYS 86 CO 0.01 0.00 -0.07 -0.07 -1.08 0.00 0.00 179.45 178.24 1l4s h LEU 87 N 0.00 -0.18 -0.11 2.94 3.38 -1.23 -3.08 115.31 117.03 1l4s h LEU 87 Ca 0.00 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1l4s h LEU 87 Cb 0.60 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1l4s h LEU 87 CO 0.00 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.78 1l4s n GLN 88 N -4.99 0.13 0.00 1.13 6.02 -1.22 -4.91 117.38 113.54 1l4s n GLN 88 Ca -0.09 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1l4s n GLN 88 Cb 0.25 -1.67 0.00 0.00 1.02 0.00 0.00 30.24 29.84 1l4s n GLN 88 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1l4s n HIS 89 N -1.90 0.00 -1.96 1.08 8.25 -0.93 -4.54 115.22 115.23 1l4s n HIS 89 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1l4s n HIS 89 Cb 0.33 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.44 1l4s n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1l4s n LYS 90 N 0.00 0.00 0.00 -0.41 3.00 -1.26 -4.83 118.16 114.66 1l4s n LYS 90 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1l4s n LYS 90 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 35.03 31.66 1l4s n LYS 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1l4s n GLY 91 N -0.99 -1.84 3.68 3.14 0.00 -1.26 -5.18 105.19 102.73 1l4s n GLY 91 Ca 0.00 0.85 -0.27 0.00 0.00 0.00 0.00 46.02 46.60 1l4s n GLY 91 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1l4s s GLU 92 N 0.00 2.07 0.17 1.61 -1.05 -1.26 -5.08 118.70 115.17 1l4s s GLU 92 Ca 0.00 -2.02 0.00 0.00 -0.15 0.00 0.00 54.97 52.80 1l4s s GLU 92 Cb 0.00 -1.77 0.00 0.00 -0.44 0.00 0.00 34.13 31.92 1l4s s GLU 92 CO 0.00 -0.10 0.00 0.00 0.95 0.00 0.00 175.26 176.11 1l4s n ALA 93 N -1.10 2.38 -0.10 -0.84 0.00 -1.26 -4.79 120.51 114.80 1l4s n ALA 93 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 1l4s n ALA 93 Cb 0.66 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.25 1l4s n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l4s h ARG 94 N 0.00 0.79 -0.20 0.00 3.08 -2.00 -3.08 114.38 112.97 1l4s h ARG 94 Ca 0.00 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.75 1l4s h ARG 94 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1l4s h ARG 94 CO 0.00 0.84 -0.09 -0.09 -1.07 0.00 0.00 179.97 179.56 1l4s h ARG 95 N 0.72 0.42 -7.27 0.04 2.43 -2.00 -3.44 114.38 105.27 1l4s h ARG 95 Ca 0.13 -0.18 -0.52 0.00 -0.81 0.00 0.00 59.98 58.60 1l4s h ARG 95 Cb 0.54 -0.01 0.19 0.00 -0.42 0.00 0.00 29.97 30.27 1l4s h ARG 95 CO 0.03 0.70 0.23 0.00 -1.51 0.00 0.00 179.97 179.42 1l4s s ALA 96 N -4.61 1.50 -0.20 2.80 0.00 -1.16 -4.98 121.76 115.10 1l4s s ALA 96 Ca -0.14 0.55 0.13 0.00 0.00 0.00 0.00 51.96 52.50 1l4s s ALA 96 Cb 0.06 -3.43 0.32 0.00 0.00 0.00 0.00 23.12 20.08 1l4s s ALA 96 CO 0.76 -2.70 1.29 0.00 0.00 0.00 0.00 175.76 175.11 1l4s n ALA 97 N -4.19 3.02 0.00 0.00 0.00 -1.26 -4.90 120.51 113.18 1l4s n ALA 97 Ca 0.11 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.20 1l4s n ALA 97 Cb 0.52 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1l4s n ALA 97 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1l4s n THR 98 N -0.78 0.00 -3.78 0.00 -2.24 -1.26 -5.10 114.28 101.12 1l4s n THR 98 Ca -0.14 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 1l4s n THR 98 Cb 0.85 -0.82 -0.14 0.00 -2.10 0.00 0.00 70.33 68.11 1l4s n THR 98 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1l4s s SER 99 N -4.81 -0.10 -0.08 3.42 1.04 -1.26 -5.03 113.70 106.88 1l4s s SER 99 Ca 0.00 0.25 0.12 0.00 0.48 0.00 0.00 55.95 56.80 1l4s s SER 99 Cb 0.00 0.18 -0.18 0.00 0.10 0.00 0.00 66.02 66.12 1l4s s SER 99 CO 0.00 -0.11 0.14 0.55 0.98 0.00 0.00 173.24 174.80 1l4s n VAL 100 N 3.77 0.54 -2.54 5.02 3.14 -1.26 -4.88 118.33 122.13 1l4s n VAL 100 Ca -0.21 -0.45 -0.41 0.00 -2.96 0.00 0.00 64.34 60.31 1l4s n VAL 100 Cb 0.54 -0.35 -0.03 0.00 -1.06 0.00 0.00 33.84 32.95 1l4s n VAL 100 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1l4s s LYS 101 N -2.54 3.25 0.24 1.45 0.00 -1.26 -4.52 119.74 116.36 1l4s s LYS 101 Ca -0.06 -0.38 0.00 0.00 0.00 0.00 0.00 55.97 55.53 1l4s s LYS 101 Cb 0.06 -4.40 0.00 0.00 0.00 0.00 0.00 37.83 33.48 1l4s s LYS 101 CO 0.53 -2.18 0.00 -3.47 0.00 0.00 0.00 175.35 170.23 1l4s n ASP 102 N 9.39 -0.75 0.01 0.03 -0.08 -1.26 -5.06 116.55 118.82 1l4s n ASP 102 Ca 0.09 0.43 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 1l4s n ASP 102 Cb 0.49 0.86 0.00 0.00 2.34 0.00 0.00 41.12 44.82 1l4s n ASP 102 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1l4s n ALA 103 N -3.21 3.00 -0.87 -1.67 0.00 -1.26 -5.01 120.51 111.48 1l4s n ALA 103 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1l4s n ALA 103 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1l4s n ALA 103 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1l4s n ASN 104 N -2.61 0.00 0.00 0.00 3.02 -1.26 -4.82 115.26 109.59 1l4s n ASN 104 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1l4s n ASN 104 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1l4s n ASN 104 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1l4s n PHE 105 N 0.00 0.00 0.00 3.10 3.72 -1.26 -2.61 117.46 120.41 1l4s n PHE 105 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1l4s n PHE 105 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1l4s n PHE 105 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1l4s n VAL 106 N 0.00 0.00 -2.49 -4.37 0.24 -1.26 -5.13 118.33 105.32 1l4s n VAL 106 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.28 1l4s n VAL 106 Cb 0.00 -0.33 -0.02 0.00 -1.47 0.00 0.00 33.84 32.02 1l4s n VAL 106 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1l4s n GLU 107 N -2.10 -3.41 -2.88 7.34 1.02 -1.07 -4.90 120.64 114.63 1l4s n GLU 107 Ca 0.00 2.72 -0.43 0.00 -0.02 0.00 0.00 57.16 59.43 1l4s n GLU 107 Cb 0.04 -4.64 -0.04 0.00 -0.02 0.00 0.00 31.44 26.78 1l4s n GLU 107 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1l4s s GLU 108 N -1.10 3.10 -0.28 3.49 0.41 -1.26 -4.97 118.70 118.10 1l4s s GLU 108 Ca -0.11 -0.88 -0.23 0.00 -0.41 0.00 0.00 54.97 53.34 1l4s s GLU 108 Cb 0.01 -4.23 0.09 0.00 -1.78 0.00 0.00 34.13 28.22 1l4s s GLU 108 CO 0.68 -1.80 0.83 0.54 -0.49 0.00 0.00 175.26 175.02 1l4s s VAL 109 N 3.95 0.00 -0.42 2.63 0.11 -1.26 -5.11 120.40 120.30 1l4s s VAL 109 Ca 0.21 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.31 1l4s s VAL 109 Cb -0.17 -1.00 0.19 0.00 -1.53 0.00 0.00 36.38 33.87 1l4s s VAL 109 CO 0.10 0.00 0.40 1.21 -3.33 0.00 0.00 175.10 173.48 1l4s n GLU 110 N 2.85 0.45 -0.08 1.54 2.13 -1.26 -4.91 120.64 121.36 1l4s n GLU 110 Ca -0.15 -3.28 -0.08 0.00 0.66 0.00 0.00 57.16 54.31 1l4s n GLU 110 Cb 0.56 -1.59 -0.12 0.00 0.27 0.00 0.00 31.44 30.56 1l4s n GLU 110 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1l4s n GLU 111 N 2.38 1.39 0.00 5.31 0.28 -1.26 -5.38 120.64 123.37 1l4s n GLU 111 Ca 0.27 0.01 0.14 0.00 -0.16 0.00 0.00 57.16 57.42 1l4s n GLU 111 Cb 0.48 -1.39 0.62 0.00 1.43 0.00 0.00 31.44 32.58 1l4s n GLU 111 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06