#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 -2.65 -5.04 -2.82 3.85 -1.26 -4.97 117.12 104.22 1l4s n MET 2 Ca 0.00 -0.75 -0.32 0.00 -1.00 0.00 0.00 57.70 55.62 1l4s n MET 2 Cb 0.00 -2.02 -0.15 0.00 -1.05 0.00 0.00 33.22 30.00 1l4s n MET 2 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1l4s s ASN 3 N -2.31 3.60 -0.10 3.17 -0.87 -0.79 -5.03 114.94 112.61 1l4s s ASN 3 Ca 0.65 -0.36 0.02 0.00 -1.57 0.00 0.00 52.86 51.60 1l4s s ASN 3 Cb -0.21 -0.95 0.02 0.00 -0.02 0.00 0.00 41.25 40.09 1l4s s ASN 3 CO 0.65 0.27 -0.14 -0.63 -2.57 0.00 0.00 177.10 174.68 1l4s s ILE 4 N -0.31 1.39 0.13 0.60 1.01 -1.26 0.02 121.20 122.78 1l4s s ILE 4 Ca 0.02 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.12 1l4s s ILE 4 Cb -0.13 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1l4s s ILE 4 CO 0.02 0.42 -0.06 0.42 0.00 0.00 0.00 174.94 175.75 1l4s s THR 5 N 1.03 0.82 -0.28 2.92 -4.23 -0.07 -4.92 115.64 110.92 1l4s s THR 5 Ca -0.06 -1.98 -0.23 0.00 -1.18 0.00 0.00 61.69 58.23 1l4s s THR 5 Cb -0.15 -1.85 0.09 0.00 1.34 0.00 0.00 72.50 71.94 1l4s s THR 5 CO -0.02 -0.73 0.84 -0.94 -0.54 0.00 0.00 174.62 173.23 1l4s s SER 6 N -3.11 -0.65 -0.46 3.99 1.04 -1.26 -0.07 113.70 113.17 1l4s s SER 6 Ca 0.16 1.21 0.04 0.00 0.48 0.00 0.00 55.95 57.85 1l4s s SER 6 Cb 0.05 1.24 0.62 0.00 0.10 0.00 0.00 66.02 68.03 1l4s s SER 6 CO -0.01 -0.21 1.87 0.29 0.98 0.00 0.00 173.24 176.17 1l4s n LYS 7 N 2.76 2.28 0.00 4.02 5.02 -1.24 -4.40 118.16 126.60 1l4s n LYS 7 Ca -0.14 -3.09 0.00 0.00 -2.02 0.00 0.00 58.31 53.06 1l4s n LYS 7 Cb 0.56 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 1l4s n LYS 7 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1l4s n GLN 8 N -1.11 0.00 -2.10 1.97 -0.06 -1.26 -5.07 117.38 109.75 1l4s n GLN 8 Ca 0.57 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 55.56 1l4s n GLN 8 Cb 1.46 -0.12 -0.00 0.00 -4.06 0.00 0.00 30.24 27.52 1l4s n GLN 8 CO 0.00 0.00 0.00 -1.33 -0.20 0.00 0.00 177.06 175.53 1l4s n MET 9 N -2.25 1.92 -4.46 3.69 2.81 -1.26 -5.16 117.12 112.41 1l4s n MET 9 Ca 0.00 -0.14 -0.25 0.00 -1.81 0.00 0.00 57.70 55.50 1l4s n MET 9 Cb 0.00 0.04 -0.10 0.00 -0.71 0.00 0.00 33.22 32.45 1l4s n MET 9 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1l4s s GLU 10 N -2.07 1.92 -0.35 0.03 2.12 -1.26 -4.63 118.70 114.47 1l4s s GLU 10 Ca 0.00 -1.86 -0.21 0.00 0.36 0.00 0.00 54.97 53.26 1l4s s GLU 10 Cb 0.00 -1.79 0.00 0.00 0.26 0.00 0.00 34.13 32.60 1l4s s GLU 10 CO 0.00 0.14 0.67 0.42 -0.54 0.00 0.00 175.26 175.95 1l4s s ILE 11 N -2.57 4.86 0.17 -3.70 -1.09 -1.26 -5.05 121.20 112.55 1l4s s ILE 11 Ca 0.33 0.70 0.03 0.00 -2.23 0.00 0.00 60.65 59.49 1l4s s ILE 11 Cb 0.01 -4.09 -0.03 0.00 -1.58 0.00 0.00 42.46 36.77 1l4s s ILE 11 CO 0.18 -0.31 0.29 0.42 -1.23 0.00 0.00 174.94 174.29 1l4s s THR 12 N 2.78 5.26 0.26 2.92 -4.23 -1.26 -4.98 115.64 116.39 1l4s s THR 12 Ca 0.26 -0.76 0.33 0.00 -1.18 0.00 0.00 61.69 60.34 1l4s s THR 12 Cb -0.14 -3.74 0.33 0.00 1.34 0.00 0.00 72.50 70.29 1l4s s THR 12 CO 0.15 -0.13 2.01 -0.65 -0.54 0.00 0.00 174.62 175.45 1l4s h PRO 13 N 1.99 0.00 0.22 3.99 0.11 -1.98 0.43 132.00 136.76 1l4s h PRO 13 Ca -0.49 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.29 1l4s h PRO 13 Cb 1.20 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.34 1l4s h PRO 13 CO 0.67 0.00 -1.53 0.00 -0.21 0.00 0.00 178.00 176.93 1l4s h ALA 14 N 1.96 -0.05 0.00 -0.75 0.00 -1.98 -1.48 119.26 116.97 1l4s h ALA 14 Ca 0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 54.91 53.84 1l4s h ALA 14 Cb 0.04 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1l4s h ALA 14 CO 0.00 0.78 -0.59 0.82 0.00 0.00 0.00 179.25 180.27 1l4s h ILE 15 N 0.08 1.29 -0.04 0.00 2.04 -1.60 0.17 117.51 119.45 1l4s h ILE 15 Ca -0.28 -2.09 -0.12 0.00 1.00 0.00 0.00 64.86 63.36 1l4s h ILE 15 Cb 2.10 2.17 0.01 0.00 -0.74 0.00 0.00 36.82 40.36 1l4s h ILE 15 CO 0.23 0.57 -0.45 -0.09 0.00 0.00 0.00 178.15 178.41 1l4s h ARG 16 N 0.00 0.38 -0.38 2.37 2.43 -1.04 -2.57 114.38 115.57 1l4s h ARG 16 Ca -0.01 -0.35 -0.11 0.00 -0.81 0.00 0.00 59.98 58.70 1l4s h ARG 16 Cb 1.12 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1l4s h ARG 16 CO 0.08 1.01 -0.23 0.37 -1.51 0.00 0.00 179.97 179.69 1l4s h GLN 17 N -0.13 0.75 0.95 0.20 4.15 -1.19 0.44 115.11 120.28 1l4s h GLN 17 Ca -0.04 -0.30 -0.04 0.00 0.77 0.00 0.00 58.65 59.03 1l4s h GLN 17 Cb 1.14 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.80 1l4s h GLN 17 CO 0.09 0.91 -0.49 1.25 -1.93 0.00 0.00 178.83 178.66 1l4s h HIS 18 N 0.66 -1.29 -0.45 3.99 2.76 -0.69 0.96 115.15 121.09 1l4s h HIS 18 Ca 0.09 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1l4s h HIS 18 Cb 0.73 0.44 -0.02 0.00 1.55 0.00 0.00 27.41 30.11 1l4s h HIS 18 CO 0.04 -0.77 0.27 0.28 -1.30 0.00 0.00 177.93 176.45 1l4s h VAL 19 N -1.32 1.14 -0.82 5.26 2.07 -1.45 -2.48 116.25 118.64 1l4s h VAL 19 Ca -0.13 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.14 1l4s h VAL 19 Cb 1.03 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 1l4s h VAL 19 CO 0.19 0.14 0.51 0.00 0.02 0.00 0.00 177.57 178.43 1l4s h ALA 20 N 1.13 1.11 -0.35 1.67 0.00 0.03 -0.63 119.26 122.23 1l4s h ALA 20 Ca 0.16 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1l4s h ALA 20 Cb -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1l4s h ALA 20 CO -0.03 0.28 0.23 0.38 0.00 0.00 0.00 179.25 180.11 1l4s h ASP 21 N 0.96 0.37 0.99 0.00 3.04 0.14 0.34 116.42 122.25 1l4s h ASP 21 Ca 0.35 -0.01 -0.09 0.00 -3.24 0.00 0.00 57.03 54.04 1l4s h ASP 21 Cb 0.12 -0.09 -0.01 0.00 -1.04 0.00 0.00 39.33 38.30 1l4s h ASP 21 CO -0.15 0.26 -0.43 0.03 -2.04 0.00 0.00 179.24 176.91 1l4s h ARG 22 N 0.43 0.00 0.22 4.15 2.47 -0.78 -2.85 114.38 118.02 1l4s h ARG 22 Ca 0.13 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.84 1l4s h ARG 22 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1l4s h ARG 22 CO -0.03 0.43 -0.10 -0.07 0.56 0.00 0.00 179.97 180.76 1l4s h LEU 23 N 0.00 -0.25 -2.67 3.04 3.38 0.02 -1.61 115.31 117.23 1l4s h LEU 23 Ca -0.00 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1l4s h LEU 23 Cb 1.04 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1l4s h LEU 23 CO 0.06 0.10 -0.01 0.00 0.09 0.00 0.00 178.44 178.67 1l4s h ALA 24 N 0.08 1.21 0.00 1.53 0.00 -1.48 0.59 119.26 121.19 1l4s h ALA 24 Ca -0.03 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1l4s h ALA 24 Cb 0.44 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1l4s h ALA 24 CO 0.05 0.01 -0.76 -0.22 0.00 0.00 0.00 179.25 178.33 1l4s h LYS 25 N 0.00 0.00 -3.18 0.00 1.63 -1.23 -3.36 116.57 110.44 1l4s h LYS 25 Ca -0.00 0.00 -0.57 0.00 -0.85 0.00 0.00 60.65 59.23 1l4s h LYS 25 Cb 0.05 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 31.70 1l4s h LYS 25 CO 0.00 0.76 3.40 1.28 -3.45 0.00 0.00 179.45 181.44 1l4s n LEU 26 N -3.36 7.37 0.40 5.20 4.77 0.20 -4.64 117.00 126.94 1l4s n LEU 26 Ca 0.01 -3.84 -0.16 0.00 -0.03 0.00 0.00 56.01 51.99 1l4s n LEU 26 Cb 0.81 -1.39 -0.08 0.00 -2.33 0.00 0.00 43.42 40.43 1l4s n LEU 26 CO 0.44 1.53 0.45 -0.08 -1.33 0.00 0.00 177.39 178.40 1l4s h GLU 27 N 5.50 -1.00 -1.48 3.23 4.81 -1.77 0.33 114.58 124.20 1l4s h GLU 27 Ca 0.74 0.07 -0.34 0.00 -0.13 0.00 0.00 59.36 59.70 1l4s h GLU 27 Cb 0.24 0.23 -0.15 0.00 0.63 0.00 0.00 28.75 29.71 1l4s h GLU 27 CO 1.67 -0.67 0.44 0.36 -0.73 0.00 0.00 179.01 180.08 1l4s n LYS 28 N -5.18 1.84 0.00 1.92 2.85 -1.26 -3.79 118.16 114.53 1l4s n LYS 28 Ca -0.13 -1.65 0.00 0.00 -1.05 0.00 0.00 58.31 55.49 1l4s n LYS 28 Cb 0.41 -1.65 0.00 0.00 -0.65 0.00 0.00 35.03 33.14 1l4s n LYS 28 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1l4s n TRP 29 N 0.27 0.00 -0.93 5.58 7.02 -1.17 -4.96 117.44 123.25 1l4s n TRP 29 Ca 0.32 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.47 1l4s n TRP 29 Cb 0.59 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.45 1l4s n TRP 29 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 1l4s n GLN 30 N -1.12 1.70 0.00 -0.99 7.27 0.12 -4.87 117.38 119.49 1l4s n GLN 30 Ca 0.00 -1.63 0.00 0.00 0.07 0.00 0.00 57.00 55.44 1l4s n GLN 30 Cb 0.00 -2.69 0.00 0.00 2.41 0.00 0.00 30.24 29.96 1l4s n GLN 30 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1l4s n THR 31 N 5.20 0.00 -1.58 1.69 -2.24 -1.26 -4.81 114.28 111.28 1l4s n THR 31 Ca 0.46 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 62.10 1l4s n THR 31 Cb 0.27 -1.83 -0.10 0.00 -2.10 0.00 0.00 70.33 66.57 1l4s n THR 31 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1l4s s HIS 32 N -0.45 1.16 0.09 4.78 0.09 -1.26 -4.90 115.29 114.80 1l4s s HIS 32 Ca 0.00 2.31 -0.13 0.00 -0.00 0.00 0.00 55.06 57.24 1l4s s HIS 32 Cb 0.00 -3.32 -0.06 0.00 -0.00 0.00 0.00 32.58 29.19 1l4s s HIS 32 CO 0.00 -0.91 0.47 -0.51 -0.00 0.00 0.00 174.74 173.79 1l4s s LEU 33 N 16.69 4.38 -0.11 0.89 1.43 -1.26 -3.67 118.68 137.03 1l4s s LEU 33 Ca 0.85 0.97 -0.03 0.00 -1.03 0.00 0.00 54.13 54.89 1l4s s LEU 33 Cb -0.08 -3.02 0.04 0.00 0.03 0.00 0.00 46.19 43.17 1l4s s LEU 33 CO 0.15 0.18 0.06 -0.63 0.23 0.00 0.00 176.35 176.34 1l4s s ILE 34 N -1.35 0.06 -0.48 -0.59 1.09 0.22 -4.87 121.20 115.28 1l4s s ILE 34 Ca 0.33 0.03 -0.00 0.00 -1.10 0.00 0.00 60.65 59.90 1l4s s ILE 34 Cb -0.15 -0.49 0.00 0.00 -1.06 0.00 0.00 42.46 40.76 1l4s s ILE 34 CO 0.18 -0.03 0.41 0.59 -0.10 0.00 0.00 174.94 175.98 1l4s n ASN 35 N 5.23 -2.19 -4.69 3.58 3.02 -1.26 -3.45 115.26 115.50 1l4s n ASN 35 Ca -0.06 -0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 53.83 1l4s n ASN 35 Cb 0.49 -2.34 -0.03 0.00 -0.61 0.00 0.00 39.78 37.29 1l4s n ASN 35 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1l4s s PRO 36 N -4.64 4.16 -0.03 3.52 0.04 -1.26 -4.71 135.00 132.08 1l4s s PRO 36 Ca 0.02 2.48 -0.01 0.00 0.04 0.00 0.00 61.00 63.54 1l4s s PRO 36 Cb -0.01 -3.55 0.03 0.00 0.04 0.00 0.00 34.50 31.01 1l4s s PRO 36 CO 0.29 -0.78 0.04 -1.58 0.04 0.00 0.00 177.00 175.01 1l4s s HIS 37 N 2.54 0.03 -0.04 0.56 2.46 -1.12 -1.89 115.29 117.84 1l4s s HIS 37 Ca 0.77 0.18 0.07 0.00 0.47 0.00 0.00 55.06 56.55 1l4s s HIS 37 Cb -0.44 -0.31 -0.02 0.00 -0.13 0.00 0.00 32.58 31.69 1l4s s HIS 37 CO 0.34 -0.12 -0.24 0.42 -2.47 0.00 0.00 174.74 172.67 1l4s s ILE 38 N 1.42 2.16 0.09 0.89 1.09 0.10 -1.93 121.20 125.03 1l4s s ILE 38 Ca -0.05 -1.05 0.08 0.00 -1.10 0.00 0.00 60.65 58.53 1l4s s ILE 38 Cb -0.13 -1.77 -0.04 0.00 -1.06 0.00 0.00 42.46 39.47 1l4s s ILE 38 CO -0.03 0.58 -0.18 -0.63 -0.10 0.00 0.00 174.94 174.58 1l4s s ILE 39 N -0.46 2.85 -0.11 2.92 -1.09 0.16 -0.89 121.20 124.58 1l4s s ILE 39 Ca 0.05 -1.39 0.03 0.00 -2.23 0.00 0.00 60.65 57.12 1l4s s ILE 39 Cb -0.11 -2.28 0.01 0.00 -1.58 0.00 0.00 42.46 38.50 1l4s s ILE 39 CO 0.01 0.18 -0.19 -0.76 -1.23 0.00 0.00 174.94 172.95 1l4s s LEU 40 N -1.91 1.92 0.00 2.97 1.43 0.90 -1.06 118.68 122.92 1l4s s LEU 40 Ca 0.17 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1l4s s LEU 40 Cb -0.11 -1.24 -0.00 0.00 0.03 0.00 0.00 46.19 44.88 1l4s s LEU 40 CO 0.09 0.07 0.01 -1.20 0.23 0.00 0.00 176.35 175.55 1l4s n SER 41 N 3.93 1.57 -3.62 2.29 7.64 0.18 -3.69 113.62 121.91 1l4s n SER 41 Ca -0.20 -1.27 -0.06 0.00 1.01 0.00 0.00 58.87 58.35 1l4s n SER 41 Cb 0.52 0.08 -0.05 0.00 -1.01 0.00 0.00 64.21 63.75 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 -2.20 0.32 0.29 1.43 2.20 -1.26 -2.33 119.74 118.18 1l4s s LYS 42 Ca 0.01 0.16 0.02 0.00 -0.36 0.00 0.00 55.97 55.81 1l4s s LYS 42 Cb 0.00 0.15 -0.05 0.00 -1.51 0.00 0.00 37.83 36.42 1l4s s LYS 42 CO 0.01 -0.08 0.09 -1.21 -0.36 0.00 0.00 175.35 173.79 1l4s s GLU 43 N -0.66 1.53 0.65 4.03 2.02 0.11 -4.94 118.70 121.44 1l4s s GLU 43 Ca 0.04 -1.84 0.25 0.00 0.02 0.00 0.00 54.97 53.44 1l4s s GLU 43 Cb -0.02 -0.49 1.36 0.00 0.10 0.00 0.00 34.13 35.08 1l4s s GLU 43 CO -0.06 -0.27 1.76 -1.35 0.02 0.00 0.00 175.26 175.36 1l4s h PRO 44 N 2.26 0.00 0.00 0.39 0.11 -2.04 -2.99 132.00 129.72 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 0.63 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.46 1l4s n GLN 45 N -2.79 0.00 0.00 1.05 3.00 -1.26 -5.10 117.38 112.29 1l4s n GLN 45 Ca -0.02 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1l4s n GLN 45 Cb 0.46 -0.45 0.00 0.00 0.00 0.00 0.00 30.24 30.25 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 2.37 5.11 3.69 1.08 0.00 -1.13 -4.95 105.19 111.35 1l4s n GLY 46 Ca 0.00 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.31 2.97 0.00 1.61 0.40 -0.93 0.09 117.98 121.81 1l4s s PHE 47 Ca 0.00 -0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.35 1l4s s PHE 47 Cb 0.00 -1.51 -0.02 0.00 0.51 0.00 0.00 43.02 42.01 1l4s s PHE 47 CO 0.00 0.49 -0.20 0.08 0.70 0.00 0.00 175.22 176.29 1l4s s VAL 48 N -1.41 1.57 -0.08 -0.44 1.01 -0.98 -2.69 120.40 117.38 1l4s s VAL 48 Ca 0.26 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1l4s s VAL 48 Cb -0.11 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 34.97 1l4s s VAL 48 CO 0.19 0.36 -0.05 0.00 0.00 0.00 0.00 175.10 175.60 1l4s s ALA 49 N -0.56 0.96 0.11 5.51 0.00 0.13 0.49 121.76 128.41 1l4s s ALA 49 Ca 0.07 -0.27 0.10 0.00 0.00 0.00 0.00 51.96 51.86 1l4s s ALA 49 Cb -0.08 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 1l4s s ALA 49 CO -0.00 -0.24 -0.25 -0.51 0.00 0.00 0.00 175.76 174.76 1l4s s ASP 50 N 1.41 3.44 -0.09 0.00 1.01 -0.22 -0.21 116.67 122.02 1l4s s ASP 50 Ca -0.02 -0.68 -0.08 0.00 0.71 0.00 0.00 52.55 52.47 1l4s s ASP 50 Cb -0.13 -0.31 0.02 0.00 1.01 0.00 0.00 42.92 43.51 1l4s s ASP 50 CO -0.03 0.19 0.24 0.00 0.21 0.00 0.00 175.17 175.78 1l4s s ALA 51 N -1.04 -0.59 -0.03 5.23 0.00 -0.63 0.38 121.76 125.07 1l4s s ALA 51 Ca 0.15 0.65 0.01 0.00 0.00 0.00 0.00 51.96 52.77 1l4s s ALA 51 Cb -0.10 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.66 1l4s s ALA 51 CO 0.06 -0.12 -0.04 0.99 0.00 0.00 0.00 175.76 176.66 1l4s s THR 52 N 0.06 0.46 -0.02 0.00 2.01 -0.81 -2.25 115.64 115.09 1l4s s THR 52 Ca -0.01 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 61.90 1l4s s THR 52 Cb -0.02 -0.48 0.00 0.00 0.01 0.00 0.00 72.50 72.01 1l4s s THR 52 CO 0.00 0.19 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.42 1l4s s ILE 53 N 0.74 0.67 -0.17 1.82 1.01 -0.95 -2.81 121.20 121.50 1l4s s ILE 53 Ca -0.09 -0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.18 1l4s s ILE 53 Cb -0.12 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 1l4s s ILE 53 CO -0.00 0.21 0.06 0.20 0.00 0.00 0.00 174.94 175.42 1l4s s ASN 54 N 0.17 5.67 0.24 3.58 0.02 -1.22 -1.94 114.94 121.45 1l4s s ASN 54 Ca -0.02 0.12 0.06 0.00 -1.02 0.00 0.00 52.86 51.99 1l4s s ASN 54 Cb -0.07 -1.94 -0.05 0.00 0.02 0.00 0.00 41.25 39.20 1l4s s ASN 54 CO 0.00 0.20 -0.07 0.42 0.02 0.00 0.00 177.10 177.68 1l4s s THR 55 N 0.19 1.47 -1.43 1.60 -4.23 0.52 0.70 115.64 114.45 1l4s s THR 55 Ca 0.05 -2.12 0.16 0.00 -1.18 0.00 0.00 61.69 58.60 1l4s s THR 55 Cb -0.12 -2.26 0.29 0.00 1.34 0.00 0.00 72.50 71.74 1l4s s THR 55 CO 0.00 -0.42 1.47 -0.81 -0.54 0.00 0.00 174.62 174.33 1l4s n PRO 56 N -0.45 0.23 -0.31 3.99 -0.04 -1.24 -2.53 135.00 134.65 1l4s n PRO 56 Ca -0.06 0.13 0.07 0.00 -0.04 0.00 0.00 63.50 63.60 1l4s n PRO 56 Cb 0.62 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.70 1l4s n PRO 56 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1l4s n ASN 57 N -1.28 1.73 0.00 3.54 3.02 -1.26 -5.11 115.26 115.90 1l4s n ASN 57 Ca 0.08 -2.96 0.00 0.00 -0.03 0.00 0.00 54.58 51.67 1l4s n ASN 57 Cb 0.13 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 1l4s n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1l4s n GLY 58 N -1.02 0.77 2.98 7.41 0.00 -1.05 -5.11 105.19 109.18 1l4s n GLY 58 Ca 0.13 -2.03 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.52 0.34 0.16 1.61 1.01 -1.26 -0.36 120.40 120.39 1l4s s VAL 59 Ca 0.00 -0.56 0.11 0.00 0.00 0.00 0.00 61.98 61.52 1l4s s VAL 59 Cb 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1l4s s VAL 59 CO 0.00 -0.15 -0.24 -0.76 0.00 0.00 0.00 175.10 173.95 1l4s s LEU 60 N -0.77 2.45 -0.01 3.92 1.02 -0.82 -5.01 118.68 119.45 1l4s s LEU 60 Ca -0.05 -0.78 -0.04 0.00 0.02 0.00 0.00 54.13 53.28 1l4s s LEU 60 Cb -0.05 -1.25 0.00 0.00 0.02 0.00 0.00 46.19 44.91 1l4s s LEU 60 CO -0.00 0.15 0.09 0.54 0.02 0.00 0.00 176.35 177.15 1l4s s VAL 61 N -1.42 0.05 0.07 -1.59 0.11 -1.26 -2.25 120.40 114.12 1l4s s VAL 61 Ca 0.18 -0.41 -0.16 0.00 -2.93 0.00 0.00 61.98 58.66 1l4s s VAL 61 Cb -0.09 -0.27 0.03 0.00 -1.53 0.00 0.00 36.38 34.52 1l4s s VAL 61 CO 0.09 -0.23 0.36 0.00 -3.33 0.00 0.00 175.10 171.99 1l4s s ALA 62 N -0.73 -0.84 0.05 1.54 0.00 -0.95 -4.86 121.76 115.96 1l4s s ALA 62 Ca -0.08 0.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.86 1l4s s ALA 62 Cb -0.05 0.46 -0.01 0.00 0.00 0.00 0.00 23.12 23.52 1l4s s ALA 62 CO 0.00 -0.51 0.14 -1.12 0.00 0.00 0.00 175.76 174.27 1l4s s SER 63 N -2.33 0.14 -0.26 0.00 0.01 -1.26 -1.61 113.70 108.39 1l4s s SER 63 Ca -0.02 -0.53 -0.01 0.00 1.31 0.00 0.00 55.95 56.70 1l4s s SER 63 Cb 0.01 0.27 0.14 0.00 0.21 0.00 0.00 66.02 66.64 1l4s s SER 63 CO -0.06 -0.57 0.36 -0.83 0.41 0.00 0.00 173.24 172.54 1l4s s GLY 64 N -2.29 -0.37 -0.60 3.44 0.00 0.71 -4.27 107.32 103.93 1l4s s GLY 64 Ca -0.02 0.43 0.01 0.00 0.00 0.00 0.00 44.72 45.14 1l4s s GLY 64 CO -0.06 2.72 1.65 0.28 0.00 0.00 0.00 173.10 177.69 1l4s n LYS 65 N 5.35 3.07 -2.01 2.90 5.02 -1.26 0.18 118.16 131.41 1l4s n LYS 65 Ca -0.02 -3.84 -0.32 0.00 -2.02 0.00 0.00 58.31 52.11 1l4s n LYS 65 Cb 0.49 -2.27 0.01 0.00 -0.02 0.00 0.00 35.03 33.24 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 -3.80 3.23 0.51 2.13 2.46 -1.09 -4.72 115.29 114.00 1l4s s HIS 66 Ca 0.54 1.45 0.24 0.00 0.47 0.00 0.00 55.06 57.75 1l4s s HIS 66 Cb 0.44 -2.88 1.47 0.00 -0.13 0.00 0.00 32.58 31.48 1l4s s HIS 66 CO -0.18 -0.88 2.14 1.05 -2.47 0.00 0.00 174.74 174.39 1l4s h GLU 67 N 0.21 0.00 -5.15 2.88 4.11 -1.93 -2.46 114.58 112.24 1l4s h GLU 67 Ca -0.46 0.00 -0.62 0.00 0.07 0.00 0.00 59.36 58.35 1l4s h GLU 67 Cb 1.20 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.31 1l4s h GLU 67 CO 0.59 0.07 -0.37 0.34 0.07 0.00 0.00 179.01 179.70 1l4s s ASP 68 N -6.50 6.21 0.21 3.06 2.15 -1.26 -3.92 116.67 116.62 1l4s s ASP 68 Ca -0.04 0.23 -0.12 0.00 0.43 0.00 0.00 52.55 53.04 1l4s s ASP 68 Cb 0.15 -2.16 0.27 0.00 -0.30 0.00 0.00 42.92 40.87 1l4s s ASP 68 CO 0.61 -0.04 1.64 -0.03 -0.17 0.00 0.00 175.17 177.18 1l4s h MET 69 N 7.77 0.05 -0.53 4.34 1.85 -1.89 0.90 114.93 127.41 1l4s h MET 69 Ca -0.36 -0.00 -0.10 0.00 -0.61 0.00 0.00 59.70 58.63 1l4s h MET 69 Cb 1.17 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 33.17 1l4s h MET 69 CO 0.65 0.03 -0.05 1.88 -0.40 0.00 0.00 176.91 179.02 1l4s h TYR 70 N 0.05 1.04 -0.61 1.39 -1.99 -1.95 -2.47 116.97 112.43 1l4s h TYR 70 Ca 0.31 -0.18 -0.06 0.00 2.00 0.00 0.00 58.73 60.80 1l4s h TYR 70 Cb 0.50 -0.27 -0.03 0.00 2.00 0.00 0.00 36.73 38.93 1l4s h TYR 70 CO -0.44 0.95 0.15 1.15 -0.00 0.00 0.00 178.16 179.98 1l4s h THR 71 N 0.86 1.25 -0.12 -2.88 2.02 -1.54 -0.80 112.91 111.71 1l4s h THR 71 Ca 0.15 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 1l4s h THR 71 Cb 0.58 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1l4s h THR 71 CO 0.03 0.34 0.06 0.00 0.37 0.00 0.00 175.52 176.33 1l4s h ALA 72 N 1.05 0.15 -0.31 6.16 0.00 -0.75 0.44 119.26 125.99 1l4s h ALA 72 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1l4s h ALA 72 Cb 0.35 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1l4s h ALA 72 CO 0.00 -0.31 0.20 0.82 0.00 0.00 0.00 179.25 179.96 1l4s h ILE 73 N 0.09 1.09 -0.69 0.00 2.04 -1.32 0.20 117.51 118.92 1l4s h ILE 73 Ca 0.04 -0.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 1l4s h ILE 73 Cb 0.08 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1l4s h ILE 73 CO -0.01 0.09 0.19 -1.13 0.00 0.00 0.00 178.15 177.29 1l4s h ASN 74 N 0.41 1.01 -0.17 1.72 -1.24 -0.97 -2.55 115.58 113.79 1l4s h ASN 74 Ca 0.11 -0.20 -0.02 0.00 0.71 0.00 0.00 56.30 56.90 1l4s h ASN 74 Cb -0.03 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.75 1l4s h ASN 74 CO -0.02 0.96 0.02 -0.33 -1.29 0.00 0.00 177.43 176.77 1l4s h GLU 75 N 1.03 0.29 -0.03 6.67 5.08 0.32 -1.28 114.58 126.65 1l4s h GLU 75 Ca 0.22 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1l4s h GLU 75 Cb 0.33 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 1l4s h GLU 75 CO -0.00 0.47 -0.44 1.25 -1.00 0.00 0.00 179.01 179.28 1l4s h LEU 76 N 0.07 -1.37 -1.79 1.33 6.46 -0.44 0.29 115.31 119.87 1l4s h LEU 76 Ca 0.05 0.17 0.11 0.00 -0.12 0.00 0.00 57.88 58.09 1l4s h LEU 76 Cb 0.33 0.54 -0.03 0.00 -0.73 0.00 0.00 40.66 40.76 1l4s h LEU 76 CO 0.00 -0.47 0.36 0.40 -0.62 0.00 0.00 178.44 178.12 1l4s h ILE 77 N -0.58 0.85 -0.00 4.05 1.08 -1.44 0.44 117.51 121.91 1l4s h ILE 77 Ca 0.05 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1l4s h ILE 77 Cb 0.66 0.59 -0.00 0.00 -3.07 0.00 0.00 36.82 35.00 1l4s h ILE 77 CO -0.35 0.04 0.00 -1.13 -0.69 0.00 0.00 178.15 176.03 1l4s h ASN 78 N 0.24 0.00 0.85 1.72 -0.73 0.77 -0.53 115.58 117.90 1l4s h ASN 78 Ca 0.25 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 58.24 1l4s h ASN 78 Cb 0.66 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.22 1l4s h ASN 78 CO -0.05 0.00 -1.24 0.11 -0.37 0.00 0.00 177.43 175.88 1l4s h LYS 79 N 0.00 0.00 0.09 6.67 6.56 0.96 -2.47 116.57 128.37 1l4s h LYS 79 Ca 0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1l4s h LYS 79 Cb 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.67 1l4s h LYS 79 CO -0.00 0.45 -0.04 -0.07 -2.06 0.00 0.00 179.45 177.72 1l4s h LEU 80 N 0.00 -0.10 -0.48 2.94 3.38 -0.36 0.35 115.31 121.03 1l4s h LEU 80 Ca -0.14 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1l4s h LEU 80 Cb 1.64 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 1l4s h LEU 80 CO 0.07 0.06 0.28 -0.08 0.09 0.00 0.00 178.44 178.86 1l4s h GLU 81 N -0.26 0.66 -0.75 1.13 4.81 -1.46 0.12 114.58 118.83 1l4s h GLU 81 Ca -0.01 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1l4s h GLU 81 Cb 0.22 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1l4s h GLU 81 CO 0.02 0.50 0.34 -0.09 -0.73 0.00 0.00 179.01 179.05 1l4s h ARG 82 N 0.64 1.08 -0.10 1.92 9.65 -1.20 -1.06 114.38 125.31 1l4s h ARG 82 Ca 0.17 -0.16 -0.23 0.00 -1.10 0.00 0.00 59.98 58.66 1l4s h ARG 82 Cb 0.02 -0.19 0.01 0.00 -1.39 0.00 0.00 29.97 28.42 1l4s h ARG 82 CO -0.03 0.85 -0.85 1.96 2.80 0.00 0.00 179.97 184.70 1l4s h GLN 83 N 1.07 0.71 0.00 0.20 4.20 0.03 -3.09 115.11 118.23 1l4s h GLN 83 Ca 0.26 -0.63 -0.04 0.00 0.06 0.00 0.00 58.65 58.30 1l4s h GLN 83 Cb 0.14 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1l4s h GLN 83 CO -0.03 1.24 -0.17 -0.07 -0.67 0.00 0.00 178.83 179.13 1l4s h LEU 84 N 0.46 0.00 -1.03 1.46 3.38 -0.50 -2.37 115.31 116.71 1l4s h LEU 84 Ca -0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1l4s h LEU 84 Cb 1.48 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.20 1l4s h LEU 84 CO 0.17 0.17 0.32 -1.13 0.09 0.00 0.00 178.44 178.06 1l4s h ASN 85 N 0.00 0.92 0.99 -0.43 -1.24 -1.11 -1.81 115.58 112.90 1l4s h ASN 85 Ca -0.00 -0.11 -0.08 0.00 0.71 0.00 0.00 56.30 56.82 1l4s h ASN 85 Cb 0.38 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.18 1l4s h ASN 85 CO 0.02 0.79 -0.36 0.11 -1.29 0.00 0.00 177.43 176.70 1l4s h LYS 86 N 1.00 0.00 0.00 6.67 1.57 -1.49 -2.90 116.57 121.42 1l4s h LYS 86 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1l4s h LYS 86 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1l4s h LYS 86 CO -0.03 0.36 0.00 -0.07 -0.57 0.00 0.00 179.45 179.14 1l4s h LEU 87 N 0.00 0.00 0.00 2.94 3.38 -1.20 -3.32 115.31 117.10 1l4s h LEU 87 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1l4s h LEU 87 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1l4s h LEU 87 CO 0.05 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.58 1l4s n GLN 88 N -2.39 0.00 -2.24 1.13 6.02 -1.09 -4.92 117.38 113.89 1l4s n GLN 88 Ca 0.02 0.29 -0.29 0.00 -0.01 0.00 0.00 57.00 57.01 1l4s n GLN 88 Cb 0.23 -0.88 0.01 0.00 1.02 0.00 0.00 30.24 30.63 1l4s n GLN 88 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1l4s s HIS 89 N -0.87 3.51 0.02 1.08 -3.43 -1.25 -5.09 115.29 109.27 1l4s s HIS 89 Ca 0.00 0.98 -0.29 0.00 -0.80 0.00 0.00 55.06 54.95 1l4s s HIS 89 Cb 0.00 -2.60 0.10 0.00 -1.43 0.00 0.00 32.58 28.65 1l4s s HIS 89 CO 0.00 -0.61 1.04 0.21 -2.00 0.00 0.00 174.74 173.38 1l4s s LYS 90 N -5.00 0.79 0.00 -0.38 2.47 -1.26 -4.84 119.74 111.51 1l4s s LYS 90 Ca 0.52 -0.38 0.00 0.00 -1.56 0.00 0.00 55.97 54.55 1l4s s LYS 90 Cb -0.11 0.31 0.00 0.00 -1.46 0.00 0.00 37.83 36.57 1l4s s LYS 90 CO 0.49 -0.36 0.00 0.41 0.16 0.00 0.00 175.35 176.05 1l4s n GLY 91 N -0.34 1.64 2.89 5.54 0.00 -1.26 -5.14 105.19 108.52 1l4s n GLY 91 Ca -0.06 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 1l4s n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1l4s s GLU 92 N 1.30 0.51 -0.31 1.61 2.02 -1.26 -5.12 118.70 117.45 1l4s s GLU 92 Ca 0.00 -0.08 -0.02 0.00 0.02 0.00 0.00 54.97 54.89 1l4s s GLU 92 Cb 0.00 -0.56 0.05 0.00 0.10 0.00 0.00 34.13 33.72 1l4s s GLU 92 CO 0.00 -0.03 0.02 0.00 0.02 0.00 0.00 175.26 175.27 1l4s s ALA 93 N 0.56 2.85 -0.17 5.21 0.00 -1.26 -5.09 121.76 123.86 1l4s s ALA 93 Ca -0.06 -1.76 -0.04 0.00 0.00 0.00 0.00 51.96 50.09 1l4s s ALA 93 Cb -0.10 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.01 1l4s s ALA 93 CO -0.00 -1.28 -0.02 0.50 0.00 0.00 0.00 175.76 174.95 1l4s s ARG 94 N 1.27 3.69 -0.61 0.00 3.00 -1.26 -5.07 118.95 119.98 1l4s s ARG 94 Ca -0.05 -0.50 -0.01 0.00 -1.00 0.00 0.00 55.73 54.17 1l4s s ARG 94 Cb -0.20 -2.99 0.16 0.00 0.00 0.00 0.00 34.95 31.92 1l4s s ARG 94 CO -0.00 0.18 0.41 0.50 0.00 0.00 0.00 175.30 176.39 1l4s s ARG 95 N 0.53 2.44 -0.60 5.12 3.52 -1.26 -4.97 118.95 123.74 1l4s s ARG 95 Ca -0.02 -2.61 0.06 0.00 -0.13 0.00 0.00 55.73 53.04 1l4s s ARG 95 Cb -0.14 -3.63 0.24 0.00 -1.56 0.00 0.00 34.95 29.86 1l4s s ARG 95 CO 0.02 -1.16 0.66 0.00 -0.81 0.00 0.00 175.30 174.01 1l4s n ALA 96 N 3.30 3.65 -3.09 6.12 0.00 -1.26 -5.06 120.51 124.17 1l4s n ALA 96 Ca 0.08 -4.44 -0.36 0.00 0.00 0.00 0.00 53.44 48.72 1l4s n ALA 96 Cb 0.36 -0.90 -0.13 0.00 0.00 0.00 0.00 19.45 18.79 1l4s n ALA 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l4s s ALA 97 N -2.02 3.13 1.17 0.00 0.00 -1.26 -5.10 121.76 117.68 1l4s s ALA 97 Ca 0.37 -1.11 -0.16 0.00 0.00 0.00 0.00 51.96 51.05 1l4s s ALA 97 Cb 0.12 -2.02 0.24 0.00 0.00 0.00 0.00 23.12 21.46 1l4s s ALA 97 CO -0.06 -0.45 0.92 0.25 0.00 0.00 0.00 175.76 176.43 1l4s n THR 98 N 4.84 0.00 -2.71 0.00 -2.24 -1.26 -5.07 114.28 107.83 1l4s n THR 98 Ca -0.16 -0.46 -0.22 0.00 -2.27 0.00 0.00 64.05 60.94 1l4s n THR 98 Cb 0.51 -1.26 0.09 0.00 -2.10 0.00 0.00 70.33 67.57 1l4s n THR 98 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1l4s s SER 99 N -4.08 4.67 -0.06 3.42 0.01 -1.26 -5.11 113.70 111.28 1l4s s SER 99 Ca 0.58 -0.44 0.06 0.00 1.31 0.00 0.00 55.95 57.46 1l4s s SER 99 Cb -0.05 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.12 1l4s s SER 99 CO 0.44 -1.63 -0.25 0.68 0.41 0.00 0.00 173.24 172.90 1l4s s VAL 100 N -2.96 2.05 -0.54 3.43 -7.23 -1.26 -5.09 120.40 108.80 1l4s s VAL 100 Ca 0.64 -1.06 -0.28 0.00 -1.81 0.00 0.00 61.98 59.47 1l4s s VAL 100 Cb -0.06 -1.74 0.03 0.00 0.56 0.00 0.00 36.38 35.17 1l4s s VAL 100 CO 0.42 0.57 1.15 -0.54 -0.31 0.00 0.00 175.10 176.39 1l4s s LYS 101 N -0.08 3.59 0.31 4.82 1.02 -1.26 -4.96 119.74 123.18 1l4s s LYS 101 Ca -0.06 0.35 -0.14 0.00 0.02 0.00 0.00 55.97 56.14 1l4s s LYS 101 Cb -0.14 -3.97 0.02 0.00 -0.52 0.00 0.00 37.83 33.21 1l4s s LYS 101 CO 0.05 -1.54 0.62 0.34 -0.92 0.00 0.00 175.35 173.89 1l4s s ASP 102 N 2.74 0.08 -0.26 2.83 2.15 -1.26 -5.16 116.67 117.80 1l4s s ASP 102 Ca 0.44 -1.02 -0.01 0.00 0.43 0.00 0.00 52.55 52.39 1l4s s ASP 102 Cb -0.08 0.71 0.14 0.00 -0.30 0.00 0.00 42.92 43.39 1l4s s ASP 102 CO 0.28 -1.37 0.38 0.00 -0.17 0.00 0.00 175.17 174.28 1l4s s ALA 103 N -3.34 -1.07 -0.11 3.66 0.00 -1.26 -5.00 121.76 114.64 1l4s s ALA 103 Ca 0.19 0.61 0.16 0.00 0.00 0.00 0.00 51.96 52.92 1l4s s ALA 103 Cb -0.03 -1.80 0.31 0.00 0.00 0.00 0.00 23.12 21.60 1l4s s ALA 103 CO 0.11 -1.44 1.17 -1.71 0.00 0.00 0.00 175.76 173.89 1l4s n ASN 104 N 5.36 0.11 -4.09 0.00 5.15 -1.26 -5.10 115.26 115.42 1l4s n ASN 104 Ca -0.02 -2.04 -0.23 0.00 -0.60 0.00 0.00 54.58 51.69 1l4s n ASN 104 Cb 0.50 0.01 -0.15 0.00 -0.53 0.00 0.00 39.78 39.60 1l4s n ASN 104 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1l4s s PHE 105 N -0.71 1.33 -0.44 1.20 0.40 -1.26 -5.08 117.98 113.41 1l4s s PHE 105 Ca 0.18 -0.31 0.07 0.00 -0.60 0.00 0.00 56.93 56.27 1l4s s PHE 105 Cb 0.27 -0.88 0.22 0.00 0.51 0.00 0.00 43.02 43.14 1l4s s PHE 105 CO -0.09 -0.08 0.62 1.33 0.70 0.00 0.00 175.22 177.71 1l4s n VAL 106 N 2.97 -0.49 0.00 -0.44 0.24 -1.26 -5.02 118.33 114.32 1l4s n VAL 106 Ca -0.16 -2.74 0.00 0.00 -2.04 0.00 0.00 64.34 59.40 1l4s n VAL 106 Cb 0.54 -0.47 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 1l4s n VAL 106 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1l4s n GLU 107 N 1.97 0.00 -2.64 7.34 4.07 -1.26 -4.76 120.64 125.36 1l4s n GLU 107 Ca 0.19 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 57.28 1l4s n GLU 107 Cb 0.55 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.93 1l4s n GLU 107 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1l4s n GLU 108 N 0.00 -3.43 0.00 5.31 1.02 -1.26 -5.02 120.64 117.25 1l4s n GLU 108 Ca 0.00 2.75 0.00 0.00 -0.02 0.00 0.00 57.16 59.89 1l4s n GLU 108 Cb 0.00 -5.16 0.00 0.00 -0.02 0.00 0.00 31.44 26.26 1l4s n GLU 108 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1l4s n VAL 109 N 0.75 0.00 -2.50 2.62 0.24 -1.26 -5.04 118.33 113.13 1l4s n VAL 109 Ca -0.03 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.08 1l4s n VAL 109 Cb 0.05 -0.52 0.00 0.00 -1.47 0.00 0.00 33.84 31.91 1l4s n VAL 109 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1l4s n GLU 110 N -2.29 -2.23 -2.42 7.34 1.02 -1.26 -4.96 120.64 115.84 1l4s n GLU 110 Ca 0.00 0.86 -0.38 0.00 -0.02 0.00 0.00 57.16 57.61 1l4s n GLU 110 Cb 0.14 -5.40 -0.03 0.00 -0.02 0.00 0.00 31.44 26.13 1l4s n GLU 110 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1l4s s GLU 111 N -5.08 4.27 0.00 3.49 -1.05 -1.26 -5.36 118.70 113.71 1l4s s GLU 111 Ca 0.07 1.74 0.00 0.00 -0.15 0.00 0.00 54.97 56.63 1l4s s GLU 111 Cb -0.03 -2.79 0.00 0.00 -0.44 0.00 0.00 34.13 30.86 1l4s s GLU 111 CO 0.09 -0.10 0.00 -0.85 0.95 0.00 0.00 175.26 175.35