#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 -3.08 -4.00 -0.78 3.85 -1.26 -4.94 117.12 106.91 1l4s n MET 2 Ca 0.00 2.21 -0.31 0.00 -1.00 0.00 0.00 57.70 58.60 1l4s n MET 2 Cb 0.00 -2.64 -0.15 0.00 -1.05 0.00 0.00 33.22 29.38 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 -1.18 4.66 -0.22 3.17 3.04 -1.24 -5.05 114.94 118.11 1l4s s ASN 3 Ca 0.00 -2.37 -0.13 0.00 0.04 0.00 0.00 52.86 50.40 1l4s s ASN 3 Cb 0.00 -1.63 -0.04 0.00 -1.54 0.00 0.00 41.25 38.03 1l4s s ASN 3 CO 0.00 -0.34 0.29 -0.63 -3.04 0.00 0.00 177.10 173.37 1l4s s ILE 4 N 0.61 5.27 0.11 -5.21 1.01 -1.26 -0.20 121.20 121.53 1l4s s ILE 4 Ca 0.12 0.46 0.03 0.00 0.00 0.00 0.00 60.65 61.26 1l4s s ILE 4 Cb -0.21 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1l4s s ILE 4 CO -0.06 0.29 -0.08 0.42 0.00 0.00 0.00 174.94 175.51 1l4s s THR 5 N 1.23 0.85 -0.18 2.92 -4.23 0.23 -4.93 115.64 111.52 1l4s s THR 5 Ca 0.13 -1.97 -0.28 0.00 -1.18 0.00 0.00 61.69 58.40 1l4s s THR 5 Cb -0.14 -1.73 0.09 0.00 1.34 0.00 0.00 72.50 72.06 1l4s s THR 5 CO 0.06 -0.83 0.83 -0.94 -0.54 0.00 0.00 174.62 173.20 1l4s s SER 6 N -3.07 -0.58 0.00 3.99 1.04 -1.26 -0.03 113.70 113.79 1l4s s SER 6 Ca 0.13 0.88 0.18 0.00 0.48 0.00 0.00 55.95 57.63 1l4s s SER 6 Cb 0.04 0.81 -0.05 0.00 0.10 0.00 0.00 66.02 66.92 1l4s s SER 6 CO -0.03 -0.37 0.90 0.29 0.98 0.00 0.00 173.24 175.01 1l4s n LYS 7 N 1.62 1.42 -0.08 4.02 4.76 -1.25 -4.39 118.16 124.26 1l4s n LYS 7 Ca -0.15 -0.67 -0.06 0.00 -2.87 0.00 0.00 58.31 54.56 1l4s n LYS 7 Cb 0.56 -1.35 -0.16 0.00 -1.84 0.00 0.00 35.03 32.24 1l4s n LYS 7 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1l4s n GLN 8 N -0.41 0.68 -3.26 1.97 -0.06 -1.26 -5.04 117.38 110.01 1l4s n GLN 8 Ca 0.07 -0.04 -0.11 0.00 -2.00 0.00 0.00 57.00 54.91 1l4s n GLN 8 Cb 0.36 -1.52 -0.04 0.00 -4.06 0.00 0.00 30.24 24.98 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 -2.66 0.23 -4.01 3.69 2.81 -1.26 -5.11 117.12 110.81 1l4s n MET 9 Ca -0.28 -1.88 -0.23 0.00 -1.81 0.00 0.00 57.70 53.50 1l4s n MET 9 Cb 1.05 1.55 -0.06 0.00 -0.71 0.00 0.00 33.22 35.06 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 -2.76 2.39 -0.46 0.03 2.12 -1.26 -4.56 118.70 114.18 1l4s s GLU 10 Ca 0.23 -1.60 -0.22 0.00 0.36 0.00 0.00 54.97 53.74 1l4s s GLU 10 Cb 0.01 -2.18 0.03 0.00 0.26 0.00 0.00 34.13 32.25 1l4s s GLU 10 CO 0.16 0.01 0.74 0.42 -0.54 0.00 0.00 175.26 176.05 1l4s s ILE 11 N -2.46 4.70 0.19 -3.70 -1.09 -1.26 -5.02 121.20 112.56 1l4s s ILE 11 Ca 0.40 0.20 0.00 0.00 -2.23 0.00 0.00 60.65 59.02 1l4s s ILE 11 Cb -0.01 -4.31 -0.04 0.00 -1.58 0.00 0.00 42.46 36.52 1l4s s ILE 11 CO 0.24 -0.74 0.37 0.42 -1.23 0.00 0.00 174.94 174.00 1l4s s THR 12 N 3.14 5.23 0.33 2.92 -4.23 -1.26 -4.97 115.64 116.80 1l4s s THR 12 Ca 0.26 -0.44 0.35 0.00 -1.18 0.00 0.00 61.69 60.68 1l4s s THR 12 Cb -0.14 -3.74 0.35 0.00 1.34 0.00 0.00 72.50 70.32 1l4s s THR 12 CO 0.20 -0.16 2.07 -0.65 -0.54 0.00 0.00 174.62 175.54 1l4s h PRO 13 N 2.03 0.00 0.15 3.99 0.11 -1.98 0.34 132.00 136.64 1l4s h PRO 13 Ca -0.48 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.39 1l4s h PRO 13 Cb 1.19 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.32 1l4s h PRO 13 CO 0.68 0.00 -1.14 0.00 -0.21 0.00 0.00 178.00 177.33 1l4s h ALA 14 N 1.95 -0.01 0.00 -0.75 0.00 -1.98 -1.31 119.26 117.17 1l4s h ALA 14 Ca 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 54.91 53.95 1l4s h ALA 14 Cb 0.04 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1l4s h ALA 14 CO 0.00 0.59 -0.47 0.82 0.00 0.00 0.00 179.25 180.19 1l4s h ILE 15 N -0.26 1.09 -0.01 0.00 2.04 -1.73 0.16 117.51 118.79 1l4s h ILE 15 Ca -0.22 -1.78 -0.14 0.00 1.00 0.00 0.00 64.86 63.73 1l4s h ILE 15 Cb 1.77 2.03 0.01 0.00 -0.74 0.00 0.00 36.82 39.90 1l4s h ILE 15 CO 0.14 0.46 -0.53 -0.09 0.00 0.00 0.00 178.15 178.13 1l4s h ARG 16 N 0.00 0.38 -0.47 2.37 2.43 -1.05 -2.58 114.38 115.47 1l4s h ARG 16 Ca -0.00 -0.39 -0.12 0.00 -0.81 0.00 0.00 59.98 58.65 1l4s h ARG 16 Cb 0.99 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 1l4s h ARG 16 CO 0.06 1.06 -0.19 0.37 -1.51 0.00 0.00 179.97 179.76 1l4s h GLN 17 N -0.15 0.94 0.73 0.20 4.15 -1.13 0.43 115.11 120.28 1l4s h GLN 17 Ca -0.06 -0.38 -0.04 0.00 0.77 0.00 0.00 58.65 58.94 1l4s h GLN 17 Cb 1.24 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.90 1l4s h GLN 17 CO 0.11 1.05 -0.35 1.25 -1.93 0.00 0.00 178.83 178.95 1l4s h HIS 18 N 0.82 -0.90 -0.21 3.99 2.76 -0.75 0.94 115.15 121.80 1l4s h HIS 18 Ca 0.11 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1l4s h HIS 18 Cb 0.75 0.30 -0.01 0.00 1.55 0.00 0.00 27.41 30.00 1l4s h HIS 18 CO 0.05 -0.56 0.12 0.28 -1.30 0.00 0.00 177.93 176.52 1l4s h VAL 19 N -0.99 1.11 -0.80 5.26 2.07 -1.46 -2.58 116.25 118.86 1l4s h VAL 19 Ca -0.10 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.18 1l4s h VAL 19 Cb 0.75 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 1l4s h VAL 19 CO 0.16 0.10 0.50 0.00 0.02 0.00 0.00 177.57 178.35 1l4s h ALA 20 N 1.01 1.07 -0.55 1.67 0.00 -0.02 -0.20 119.26 122.23 1l4s h ALA 20 Ca 0.07 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1l4s h ALA 20 Cb 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1l4s h ALA 20 CO -0.01 0.27 0.36 0.38 0.00 0.00 0.00 179.25 180.25 1l4s h ASP 21 N 0.94 0.59 1.09 0.00 3.04 0.12 -0.14 116.42 122.06 1l4s h ASP 21 Ca 0.33 -0.01 -0.11 0.00 -3.24 0.00 0.00 57.03 54.00 1l4s h ASP 21 Cb 0.08 -0.14 -0.02 0.00 -1.04 0.00 0.00 39.33 38.21 1l4s h ASP 21 CO -0.14 0.42 -0.54 0.03 -2.04 0.00 0.00 179.24 176.97 1l4s h ARG 22 N 0.70 0.00 0.39 4.15 2.47 -0.88 -2.84 114.38 118.37 1l4s h ARG 22 Ca 0.21 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.91 1l4s h ARG 22 Cb -0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 1l4s h ARG 22 CO -0.05 0.54 -0.19 -0.07 0.56 0.00 0.00 179.97 180.76 1l4s h LEU 23 N 0.00 -0.45 -2.56 3.04 3.38 0.67 -1.87 115.31 117.53 1l4s h LEU 23 Ca -0.01 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1l4s h LEU 23 Cb 1.23 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 1l4s h LEU 23 CO 0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 178.44 178.54 1l4s h ALA 24 N -0.58 1.34 0.01 1.53 0.00 -1.40 -0.67 119.26 119.49 1l4s h ALA 24 Ca -0.05 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 1l4s h ALA 24 Cb 0.55 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1l4s h ALA 24 CO 0.09 0.01 -0.95 -0.22 0.00 0.00 0.00 179.25 178.18 1l4s h LYS 25 N 0.00 0.06 -2.59 0.00 3.11 -1.39 -3.33 116.57 112.42 1l4s h LYS 25 Ca -0.00 -0.09 -0.48 0.00 -2.81 0.00 0.00 60.65 57.27 1l4s h LYS 25 Cb 0.04 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.29 1l4s h LYS 25 CO 0.00 0.96 2.15 1.28 -2.81 0.00 0.00 179.45 181.03 1l4s n LEU 26 N -3.48 7.37 -0.23 5.20 4.77 -0.26 -4.64 117.00 125.73 1l4s n LEU 26 Ca -0.02 -3.91 -0.00 0.00 -0.03 0.00 0.00 56.01 52.05 1l4s n LEU 26 Cb 0.88 -1.50 0.11 0.00 -2.33 0.00 0.00 43.42 40.59 1l4s n LEU 26 CO 0.47 1.93 1.06 -0.08 -1.33 0.00 0.00 177.39 179.44 1l4s h GLU 27 N 4.19 0.57 -0.71 3.23 4.22 -1.74 0.13 114.58 124.48 1l4s h GLU 27 Ca 0.60 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 60.01 1l4s h GLU 27 Cb 0.77 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1l4s h GLU 27 CO 1.17 0.38 0.00 0.36 -2.18 0.00 0.00 179.01 178.73 1l4s n LYS 28 N -4.86 3.77 -0.51 1.92 0.00 -1.26 -3.94 118.16 113.27 1l4s n LYS 28 Ca 0.09 -2.23 0.00 0.00 -0.00 0.00 0.00 58.31 56.18 1l4s n LYS 28 Cb 0.23 -2.05 -0.00 0.00 -0.00 0.00 0.00 35.03 33.21 1l4s n LYS 28 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 1l4s n TRP 29 N 0.44 0.00 0.00 5.58 7.02 -0.26 -4.90 117.44 125.32 1l4s n TRP 29 Ca 0.20 -0.01 0.00 0.00 -1.02 0.00 0.00 57.50 56.67 1l4s n TRP 29 Cb 0.92 0.05 0.00 0.00 -2.42 0.00 0.00 31.31 29.87 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 0.00 0.00 0.00 -0.99 -0.06 0.31 -4.86 117.38 111.78 1l4s n GLN 30 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1l4s n GLN 30 Cb 0.64 -0.67 0.00 0.00 -4.06 0.00 0.00 30.24 26.14 1l4s n GLN 30 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 1l4s n THR 31 N -2.48 0.00 0.01 1.69 5.66 -1.26 -2.77 114.28 115.13 1l4s n THR 31 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1l4s n THR 31 Cb 0.37 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.15 1l4s n THR 31 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 1l4s n HIS 32 N 0.00 -0.11 -0.93 1.09 8.25 -1.26 -5.02 115.22 117.24 1l4s n HIS 32 Ca 0.00 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1l4s n HIS 32 Cb 0.00 0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1l4s n HIS 32 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1l4s n LEU 33 N -2.90 0.31 -2.62 2.41 4.77 -1.11 -4.09 117.00 113.77 1l4s n LEU 33 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1l4s n LEU 33 Cb 0.28 -0.85 -0.02 0.00 -2.33 0.00 0.00 43.42 40.51 1l4s n LEU 33 CO 0.00 -0.25 -0.05 0.00 -1.33 0.00 0.00 177.39 175.77 1l4s n ILE 34 N -2.40 0.00 -1.68 -0.08 3.06 -1.24 -1.38 119.36 115.65 1l4s n ILE 34 Ca 0.00 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.24 1l4s n ILE 34 Cb 0.09 -0.14 0.00 0.00 0.54 0.00 0.00 39.64 40.13 1l4s n ILE 34 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1l4s n ASN 35 N -1.24 -2.76 -4.61 9.51 5.03 -1.26 -4.89 115.26 115.05 1l4s n ASN 35 Ca 0.03 0.05 -0.29 0.00 0.87 0.00 0.00 54.58 55.24 1l4s n ASN 35 Cb 0.34 -1.56 0.12 0.00 -1.02 0.00 0.00 39.78 37.66 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 -1.68 1.48 -0.03 3.52 0.04 -0.48 -4.87 135.00 132.98 1l4s s PRO 36 Ca 0.02 -0.14 -0.01 0.00 0.04 0.00 0.00 61.00 60.91 1l4s s PRO 36 Cb -0.01 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.63 1l4s s PRO 36 CO 0.10 -1.87 0.05 -1.58 0.04 0.00 0.00 177.00 173.74 1l4s s HIS 37 N -3.66 0.01 -0.05 0.56 2.46 -1.02 -3.68 115.29 109.91 1l4s s HIS 37 Ca 0.66 0.22 0.06 0.00 0.47 0.00 0.00 55.06 56.47 1l4s s HIS 37 Cb -0.08 -0.29 -0.01 0.00 -0.13 0.00 0.00 32.58 32.06 1l4s s HIS 37 CO 0.50 -0.13 -0.23 0.42 -2.47 0.00 0.00 174.74 172.83 1l4s s ILE 38 N 1.44 2.24 0.10 0.89 1.09 0.71 -1.91 121.20 125.77 1l4s s ILE 38 Ca -0.05 -1.01 0.10 0.00 -1.10 0.00 0.00 60.65 58.60 1l4s s ILE 38 Cb -0.13 -1.82 -0.04 0.00 -1.06 0.00 0.00 42.46 39.42 1l4s s ILE 38 CO -0.03 0.57 -0.26 -0.63 -0.10 0.00 0.00 174.94 174.49 1l4s s ILE 39 N -0.30 2.12 -0.10 2.92 1.01 0.11 -0.60 121.20 126.35 1l4s s ILE 39 Ca 0.01 -1.62 0.02 0.00 0.00 0.00 0.00 60.65 59.05 1l4s s ILE 39 Cb -0.13 -1.87 0.01 0.00 0.01 0.00 0.00 42.46 40.49 1l4s s ILE 39 CO 0.02 0.13 -0.17 -0.76 0.00 0.00 0.00 174.94 174.16 1l4s s LEU 40 N -1.83 1.82 0.00 2.97 1.43 0.96 -0.88 118.68 123.14 1l4s s LEU 40 Ca 0.12 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1l4s s LEU 40 Cb -0.10 -1.15 -0.00 0.00 0.03 0.00 0.00 46.19 44.97 1l4s s LEU 40 CO 0.05 0.05 0.02 -1.20 0.23 0.00 0.00 176.35 175.50 1l4s n SER 41 N 4.01 2.05 -3.62 2.29 7.64 0.15 -3.80 113.62 122.34 1l4s n SER 41 Ca -0.20 -1.98 -0.14 0.00 1.01 0.00 0.00 58.87 57.56 1l4s n SER 41 Cb 0.52 0.27 -0.07 0.00 -1.01 0.00 0.00 64.21 63.92 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 -2.77 0.81 0.18 1.43 2.20 -1.26 -2.31 119.74 118.02 1l4s s LYS 42 Ca 0.03 0.90 0.04 0.00 -0.36 0.00 0.00 55.97 56.59 1l4s s LYS 42 Cb 0.00 0.40 -0.05 0.00 -1.51 0.00 0.00 37.83 36.67 1l4s s LYS 42 CO 0.02 -0.11 -0.06 -1.21 -0.36 0.00 0.00 175.35 173.63 1l4s s GLU 43 N 0.25 1.17 0.59 4.03 2.02 0.26 -4.93 118.70 122.09 1l4s s GLU 43 Ca -0.00 -1.54 0.29 0.00 0.02 0.00 0.00 54.97 53.73 1l4s s GLU 43 Cb -0.05 -0.62 1.64 0.00 0.10 0.00 0.00 34.13 35.20 1l4s s GLU 43 CO 0.01 0.01 2.08 -1.00 0.02 0.00 0.00 175.26 176.38 1l4s h PRO 44 N 2.66 0.00 -0.00 0.39 0.13 -2.02 0.12 132.00 133.27 1l4s h PRO 44 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1l4s h PRO 44 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1l4s h PRO 44 CO 0.64 0.00 -0.32 0.94 -0.23 0.00 0.00 178.00 179.03 1l4s n GLN 45 N -3.81 0.34 -2.10 0.86 -0.06 -1.26 -5.04 117.38 106.31 1l4s n GLN 45 Ca 0.02 -0.17 0.00 0.00 -2.00 0.00 0.00 57.00 54.85 1l4s n GLN 45 Cb 0.35 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.03 1l4s n GLN 45 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1l4s n GLY 46 N 1.42 0.03 3.72 1.69 0.00 0.42 -4.58 105.19 107.88 1l4s n GLY 46 Ca 0.09 -1.51 -0.26 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.82 2.96 -0.01 1.61 0.40 -0.90 0.92 117.98 120.14 1l4s s PHE 47 Ca 0.00 -0.09 0.04 0.00 -0.60 0.00 0.00 56.93 56.28 1l4s s PHE 47 Cb 0.00 -1.43 -0.01 0.00 0.51 0.00 0.00 43.02 42.09 1l4s s PHE 47 CO 0.00 0.52 -0.15 0.08 0.70 0.00 0.00 175.22 176.37 1l4s s VAL 48 N -1.75 1.16 -0.09 -0.44 1.01 -0.98 -2.74 120.40 116.58 1l4s s VAL 48 Ca 0.29 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1l4s s VAL 48 Cb -0.10 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.34 1l4s s VAL 48 CO 0.20 0.33 -0.08 0.00 0.00 0.00 0.00 175.10 175.56 1l4s s ALA 49 N -0.28 1.18 0.07 5.51 0.00 -0.38 0.31 121.76 128.16 1l4s s ALA 49 Ca 0.04 -0.41 0.09 0.00 0.00 0.00 0.00 51.96 51.68 1l4s s ALA 49 Cb -0.06 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 1l4s s ALA 49 CO -0.00 -0.23 -0.24 -0.51 0.00 0.00 0.00 175.76 174.78 1l4s s ASP 50 N 1.35 3.43 -0.07 0.00 1.01 -0.06 -0.92 116.67 121.40 1l4s s ASP 50 Ca -0.02 -0.58 -0.07 0.00 0.71 0.00 0.00 52.55 52.59 1l4s s ASP 50 Cb -0.14 -0.38 0.02 0.00 1.01 0.00 0.00 42.92 43.43 1l4s s ASP 50 CO -0.04 0.23 0.20 0.00 0.21 0.00 0.00 175.17 175.78 1l4s s ALA 51 N -0.92 -0.50 -0.05 5.23 0.00 -0.64 0.04 121.76 124.92 1l4s s ALA 51 Ca 0.13 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.64 1l4s s ALA 51 Cb -0.10 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.74 1l4s s ALA 51 CO 0.04 -0.10 -0.04 0.99 0.00 0.00 0.00 175.76 176.65 1l4s s THR 52 N 0.01 0.51 -0.01 0.00 2.01 -0.80 -2.25 115.64 115.10 1l4s s THR 52 Ca -0.01 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 61.92 1l4s s THR 52 Cb -0.02 -0.55 -0.00 0.00 0.01 0.00 0.00 72.50 71.94 1l4s s THR 52 CO 0.00 0.22 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.45 1l4s s ILE 53 N 0.99 0.64 -0.02 1.82 1.01 -0.21 -2.42 121.20 123.00 1l4s s ILE 53 Ca -0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 1l4s s ILE 53 Cb -0.14 -0.54 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 1l4s s ILE 53 CO -0.00 0.18 0.18 0.20 0.00 0.00 0.00 174.94 175.50 1l4s s ASN 54 N -0.12 6.38 0.06 3.58 0.01 -1.26 -0.83 114.94 122.76 1l4s s ASN 54 Ca 0.02 0.37 -0.00 0.00 -0.71 0.00 0.00 52.86 52.54 1l4s s ASN 54 Cb -0.04 -2.01 -0.04 0.00 0.41 0.00 0.00 41.25 39.57 1l4s s ASN 54 CO -0.00 0.28 -0.04 0.42 -1.51 0.00 0.00 177.10 176.24 1l4s s THR 55 N -1.29 0.35 -1.86 1.60 -4.23 -0.00 -3.60 115.64 106.60 1l4s s THR 55 Ca 0.26 -1.75 0.22 0.00 -1.18 0.00 0.00 61.69 59.24 1l4s s THR 55 Cb -0.13 -1.43 0.57 0.00 1.34 0.00 0.00 72.50 72.85 1l4s s THR 55 CO 0.17 -0.91 1.70 -0.81 -0.54 0.00 0.00 174.62 174.23 1l4s n PRO 56 N 0.24 0.60 0.00 3.99 -0.04 -1.26 -2.76 135.00 135.77 1l4s n PRO 56 Ca -0.15 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1l4s n PRO 56 Cb 0.60 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.07 0.84 0.00 3.54 4.13 -1.26 -5.12 115.26 116.32 1l4s n ASN 57 Ca 0.15 -1.16 0.00 0.00 1.68 0.00 0.00 54.58 55.25 1l4s n ASN 57 Cb 0.10 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.34 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 -0.08 -0.92 3.11 7.41 0.00 -1.11 -5.15 105.19 108.45 1l4s n GLY 58 Ca 0.00 -1.12 -0.17 0.00 0.00 0.00 0.00 46.02 44.74 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 0.86 -0.05 1.61 1.01 -1.26 -0.82 120.40 118.74 1l4s s VAL 59 Ca 0.00 -1.07 0.06 0.00 0.00 0.00 0.00 61.98 60.97 1l4s s VAL 59 Cb 0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 1l4s s VAL 59 CO 0.00 -0.20 -0.24 -0.76 0.00 0.00 0.00 175.10 173.91 1l4s s LEU 60 N -1.41 2.04 -0.01 3.92 1.43 -0.01 -5.00 118.68 119.64 1l4s s LEU 60 Ca -0.04 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1l4s s LEU 60 Cb -0.09 -1.29 0.01 0.00 0.03 0.00 0.00 46.19 44.85 1l4s s LEU 60 CO 0.01 0.24 0.03 -0.69 0.23 0.00 0.00 176.35 176.17 1l4s s VAL 61 N -0.19 -0.02 0.06 -1.59 1.01 -1.26 -1.05 120.40 117.36 1l4s s VAL 61 Ca -0.02 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.85 1l4s s VAL 61 Cb -0.13 -0.06 0.03 0.00 0.00 0.00 0.00 36.38 36.23 1l4s s VAL 61 CO 0.03 0.02 0.40 0.00 0.00 0.00 0.00 175.10 175.56 1l4s s ALA 62 N 0.31 -0.97 0.05 5.51 0.00 -0.96 -4.85 121.76 120.86 1l4s s ALA 62 Ca -0.02 0.22 -0.06 0.00 0.00 0.00 0.00 51.96 52.10 1l4s s ALA 62 Cb -0.04 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 1l4s s ALA 62 CO -0.01 -0.49 0.10 -1.54 0.00 0.00 0.00 175.76 173.82 1l4s s SER 63 N -2.18 0.22 -0.29 0.00 1.04 -1.26 -1.62 113.70 109.61 1l4s s SER 63 Ca -0.03 -0.66 0.02 0.00 0.48 0.00 0.00 55.95 55.75 1l4s s SER 63 Cb -0.00 0.26 0.15 0.00 0.10 0.00 0.00 66.02 66.53 1l4s s SER 63 CO -0.04 -0.59 0.38 -0.83 0.98 0.00 0.00 173.24 173.14 1l4s s GLY 64 N -2.50 -0.47 -0.74 7.32 0.00 -0.10 -4.32 107.32 106.52 1l4s s GLY 64 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 44.72 44.76 1l4s s GLY 64 CO -0.08 2.95 2.00 0.28 0.00 0.00 0.00 173.10 178.26 1l4s n LYS 65 N 5.30 2.75 -2.07 2.90 5.02 -1.26 -1.24 118.16 129.57 1l4s n LYS 65 Ca 0.00 -3.43 -0.32 0.00 -2.02 0.00 0.00 58.31 52.54 1l4s n LYS 65 Cb 0.49 -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 -3.93 3.12 0.55 2.13 2.46 -1.11 -4.67 115.29 113.85 1l4s s HIS 66 Ca 0.59 1.49 0.25 0.00 0.47 0.00 0.00 55.06 57.85 1l4s s HIS 66 Cb 0.47 -2.94 1.61 0.00 -0.13 0.00 0.00 32.58 31.59 1l4s s HIS 66 CO -0.19 -0.96 2.20 0.93 -2.47 0.00 0.00 174.74 174.25 1l4s h GLU 67 N 0.40 0.00 -4.99 2.88 5.08 -1.81 -2.38 114.58 113.76 1l4s h GLU 67 Ca -0.46 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.24 1l4s h GLU 67 Cb 1.21 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.30 1l4s h GLU 67 CO 0.58 0.02 -0.30 0.34 -1.00 0.00 0.00 179.01 178.65 1l4s s ASP 68 N -6.46 6.18 0.25 1.42 -1.08 -1.26 -3.94 116.67 111.77 1l4s s ASP 68 Ca -0.05 -0.10 -0.05 0.00 -0.52 0.00 0.00 52.55 51.83 1l4s s ASP 68 Cb 0.16 -2.19 0.48 0.00 -1.46 0.00 0.00 42.92 39.91 1l4s s ASP 68 CO 0.59 -0.28 1.66 -0.03 0.52 0.00 0.00 175.17 177.63 1l4s h MET 69 N 8.40 0.18 -0.51 4.34 1.85 -1.89 0.24 114.93 127.53 1l4s h MET 69 Ca -0.31 -0.01 -0.09 0.00 -0.61 0.00 0.00 59.70 58.68 1l4s h MET 69 Cb 1.15 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 33.12 1l4s h MET 69 CO 0.67 0.12 -0.03 1.88 -0.40 0.00 0.00 176.91 179.15 1l4s h TYR 70 N 0.19 1.02 -0.51 1.39 0.05 -1.94 -2.53 116.97 114.63 1l4s h TYR 70 Ca 0.43 -0.19 -0.08 0.00 0.05 0.00 0.00 58.73 58.95 1l4s h TYR 70 Cb 0.77 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.23 1l4s h TYR 70 CO -0.33 0.95 0.00 1.15 -1.05 0.00 0.00 178.16 178.88 1l4s h THR 71 N 0.79 1.25 0.14 -2.88 2.02 -1.43 -1.13 112.91 111.68 1l4s h THR 71 Ca 0.14 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 1l4s h THR 71 Cb 0.56 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1l4s h THR 71 CO 0.03 0.37 -0.07 0.00 0.37 0.00 0.00 175.52 176.22 1l4s h ALA 72 N 1.20 -0.19 -0.68 6.16 0.00 -0.45 0.42 119.26 125.71 1l4s h ALA 72 Ca 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1l4s h ALA 72 Cb 0.47 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1l4s h ALA 72 CO 0.02 -0.56 0.37 0.82 0.00 0.00 0.00 179.25 179.90 1l4s h ILE 73 N -0.29 1.21 -0.76 0.00 2.04 -1.37 0.14 117.51 118.49 1l4s h ILE 73 Ca -0.02 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 1l4s h ILE 73 Cb 0.23 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1l4s h ILE 73 CO 0.03 0.23 0.27 0.78 0.00 0.00 0.00 178.15 179.46 1l4s h ASN 74 N 0.93 1.08 -0.44 1.72 4.21 -1.02 -2.59 115.58 119.47 1l4s h ASN 74 Ca 0.24 -0.19 -0.08 0.00 1.21 0.00 0.00 56.30 57.48 1l4s h ASN 74 Cb 0.04 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 36.95 1l4s h ASN 74 CO -0.04 0.98 -0.02 -0.33 -1.29 0.00 0.00 177.43 176.74 1l4s h GLU 75 N 1.12 0.80 0.24 0.81 4.39 0.39 -1.31 114.58 121.02 1l4s h GLU 75 Ca 0.25 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1l4s h GLU 75 Cb 0.27 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 1l4s h GLU 75 CO -0.01 0.87 -0.48 1.25 -1.16 0.00 0.00 179.01 179.48 1l4s h LEU 76 N 0.64 -1.39 -1.97 1.33 6.46 -0.45 0.64 115.31 120.56 1l4s h LEU 76 Ca 0.12 0.13 0.10 0.00 -0.12 0.00 0.00 57.88 58.11 1l4s h LEU 76 Cb 0.53 0.49 -0.02 0.00 -0.73 0.00 0.00 40.66 40.94 1l4s h LEU 76 CO 0.03 -0.55 0.25 0.40 -0.62 0.00 0.00 178.44 177.95 1l4s h ILE 77 N -0.78 0.84 -0.07 4.05 2.04 -1.48 0.48 117.51 122.59 1l4s h ILE 77 Ca -0.03 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1l4s h ILE 77 Cb 0.74 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1l4s h ILE 77 CO -0.19 0.01 0.06 -1.13 0.00 0.00 0.00 178.15 176.90 1l4s h ASN 78 N 0.03 0.00 0.72 1.72 -0.73 0.30 -0.31 115.58 117.32 1l4s h ASN 78 Ca 0.17 0.00 -0.24 0.00 1.87 0.00 0.00 56.30 58.09 1l4s h ASN 78 Cb 0.63 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.18 1l4s h ASN 78 CO -0.01 0.00 -1.40 0.11 -0.37 0.00 0.00 177.43 175.77 1l4s h LYS 79 N 0.00 0.00 -0.02 6.67 6.56 0.11 -2.53 116.57 127.36 1l4s h LYS 79 Ca 0.03 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.62 1l4s h LYS 79 Cb 0.15 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.81 1l4s h LYS 79 CO -0.00 0.63 0.01 -0.07 -2.06 0.00 0.00 179.45 177.96 1l4s h LEU 80 N 0.00 0.03 -0.36 2.94 3.38 -0.29 0.31 115.31 121.32 1l4s h LEU 80 Ca -0.17 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1l4s h LEU 80 Cb 1.86 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.59 1l4s h LEU 80 CO 0.09 0.18 0.24 -0.08 0.09 0.00 0.00 178.44 178.95 1l4s h GLU 81 N -0.13 0.47 -0.33 1.13 4.81 -1.29 0.33 114.58 119.58 1l4s h GLU 81 Ca 0.01 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1l4s h GLU 81 Cb 0.16 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1l4s h GLU 81 CO -0.00 0.31 0.08 0.00 -0.73 0.00 0.00 179.01 178.67 1l4s h ARG 82 N 0.49 0.48 -0.06 1.92 2.47 -1.19 -0.57 114.38 117.91 1l4s h ARG 82 Ca 0.13 -0.07 -0.19 0.00 -1.26 0.00 0.00 59.98 58.59 1l4s h ARG 82 Cb -0.05 -0.08 0.01 0.00 -1.65 0.00 0.00 29.97 28.19 1l4s h ARG 82 CO -0.03 0.44 -0.70 1.96 0.56 0.00 0.00 179.97 182.20 1l4s h GLN 83 N 0.47 0.58 0.00 0.04 4.20 0.16 -3.15 115.11 117.40 1l4s h GLN 83 Ca 0.11 -0.55 -0.05 0.00 0.06 0.00 0.00 58.65 58.23 1l4s h GLN 83 Cb 0.19 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1l4s h GLN 83 CO -0.00 1.17 -0.23 -0.07 -0.67 0.00 0.00 178.83 179.02 1l4s h LEU 84 N 0.19 0.00 -0.07 1.46 3.38 -0.63 -0.39 115.31 119.25 1l4s h LEU 84 Ca -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1l4s h LEU 84 Cb 1.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 1l4s h LEU 84 CO 0.14 0.23 0.04 -1.13 0.09 0.00 0.00 178.44 177.81 1l4s h ASN 85 N 0.00 0.08 1.61 -0.43 -0.73 -1.07 -1.98 115.58 113.06 1l4s h ASN 85 Ca -0.00 -0.09 -0.01 0.00 1.87 0.00 0.00 56.30 58.06 1l4s h ASN 85 Cb 0.43 -0.02 -0.00 0.00 0.27 0.00 0.00 38.32 39.00 1l4s h ASN 85 CO 0.03 0.15 -0.05 0.11 -0.37 0.00 0.00 177.43 177.30 1l4s h LYS 86 N 0.01 0.00 -0.18 6.67 1.79 -1.48 -3.25 116.57 120.14 1l4s h LYS 86 Ca 0.02 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.33 1l4s h LYS 86 Cb 0.09 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1l4s h LYS 86 CO -0.00 0.05 -0.56 1.25 -1.08 0.00 0.00 179.45 179.11 1l4s h LEU 87 N 0.00 0.60 0.00 2.94 6.46 -0.61 -3.42 115.31 121.29 1l4s h LEU 87 Ca -0.00 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.44 1l4s h LEU 87 Cb 0.88 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1l4s h LEU 87 CO 0.01 1.03 0.00 0.00 -0.62 0.00 0.00 178.44 178.86 1l4s n GLN 88 N -3.95 0.00 0.00 1.25 10.64 -0.79 -4.75 117.38 119.78 1l4s n GLN 88 Ca -0.03 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.14 1l4s n GLN 88 Cb 0.61 -0.01 0.00 0.00 -0.86 0.00 0.00 30.24 29.98 1l4s n GLN 88 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1l4s n HIS 89 N 0.00 0.00 0.00 2.61 8.25 -1.26 -4.76 115.22 120.06 1l4s n HIS 89 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1l4s n HIS 89 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 0.00 -1.26 -4.23 118.16 112.25 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 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 0.00 1.37 2.67 3.14 0.00 -1.26 -4.97 105.19 106.14 1l4s n GLY 91 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1l4s n GLY 91 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1l4s n GLU 92 N 0.00 1.15 -1.58 1.61 4.71 -1.26 -5.03 120.64 120.23 1l4s n GLU 92 Ca 0.00 -2.17 -0.41 0.00 -0.01 0.00 0.00 57.16 54.57 1l4s n GLU 92 Cb 0.00 -0.51 -0.01 0.00 -1.01 0.00 0.00 31.44 29.90 1l4s n GLU 92 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1l4s n ALA 93 N -0.29 6.47 -2.05 0.62 0.00 -1.26 -3.90 120.51 120.11 1l4s n ALA 93 Ca 0.02 -3.75 -0.04 0.00 0.00 0.00 0.00 53.44 49.67 1l4s n ALA 93 Cb 0.81 -3.42 -0.04 0.00 0.00 0.00 0.00 19.45 16.80 1l4s n ALA 93 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1l4s n ARG 94 N 4.75 0.00 0.00 0.00 0.63 -1.26 -5.05 116.66 115.73 1l4s n ARG 94 Ca 0.64 -0.86 0.00 0.00 -0.92 0.00 0.00 57.85 56.71 1l4s n ARG 94 Cb 0.31 0.29 0.00 0.00 0.45 0.00 0.00 32.46 33.52 1l4s n ARG 94 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1l4s n ARG 95 N 0.05 0.00 0.02 -0.14 1.85 -1.25 -5.10 116.66 112.09 1l4s n ARG 95 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.68 1l4s n ARG 95 Cb 0.70 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.11 1l4s n ARG 95 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1l4s n ALA 96 N 0.00 3.00 -1.48 2.89 0.00 -1.26 -5.11 120.51 118.54 1l4s n ALA 96 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 1l4s n ALA 96 Cb 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 19.45 19.43 1l4s n ALA 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l4s n ALA 97 N -2.81 -3.89 -0.07 0.00 0.00 -1.26 -4.92 120.51 107.56 1l4s n ALA 97 Ca 0.00 0.89 -0.10 0.00 0.00 0.00 0.00 53.44 54.24 1l4s n ALA 97 Cb 0.00 -1.58 -0.03 0.00 0.00 0.00 0.00 19.45 17.83 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 -4.39 1.43 -3.35 0.00 -2.24 -1.26 -5.03 114.28 99.44 1l4s n THR 98 Ca -0.08 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1l4s n THR 98 Cb 0.70 -2.16 -0.03 0.00 -2.10 0.00 0.00 70.33 66.74 1l4s n THR 98 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1l4s s SER 99 N -6.08 -1.06 -0.35 3.42 0.15 -1.26 -5.11 113.70 103.40 1l4s s SER 99 Ca -0.25 1.01 -0.28 0.00 0.70 0.00 0.00 55.95 57.13 1l4s s SER 99 Cb 0.05 2.03 -0.02 0.00 -1.71 0.00 0.00 66.02 66.36 1l4s s SER 99 CO 0.36 -0.25 1.88 0.68 1.20 0.00 0.00 173.24 177.11 1l4s s VAL 100 N 2.82 3.39 0.44 4.45 -7.23 -1.26 -4.96 120.40 118.04 1l4s s VAL 100 Ca 0.11 0.38 0.05 0.00 -1.81 0.00 0.00 61.98 60.70 1l4s s VAL 100 Cb -0.14 -3.57 -0.05 0.00 0.56 0.00 0.00 36.38 33.18 1l4s s VAL 100 CO -0.19 -0.39 0.02 -0.54 -0.31 0.00 0.00 175.10 173.68 1l4s s LYS 101 N 5.98 2.01 0.54 4.82 1.02 -1.26 -5.17 119.74 127.68 1l4s s LYS 101 Ca 0.82 -2.20 0.04 0.00 0.02 0.00 0.00 55.97 54.65 1l4s s LYS 101 Cb -0.23 -1.48 0.02 0.00 -0.52 0.00 0.00 37.83 35.63 1l4s s LYS 101 CO 0.32 -0.19 0.25 0.34 -0.92 0.00 0.00 175.35 175.15 1l4s s ASP 102 N -3.74 4.43 -0.24 2.83 2.15 -1.26 -5.16 116.67 115.68 1l4s s ASP 102 Ca 0.25 -1.43 -0.26 0.00 0.43 0.00 0.00 52.55 51.54 1l4s s ASP 102 Cb 0.07 0.51 0.08 0.00 -0.30 0.00 0.00 42.92 43.27 1l4s s ASP 102 CO 0.12 -1.03 0.78 0.00 -0.17 0.00 0.00 175.17 174.87 1l4s s ALA 103 N -2.82 -1.82 -0.06 3.66 0.00 -1.26 -5.17 121.76 114.28 1l4s s ALA 103 Ca 0.22 1.91 -0.08 0.00 0.00 0.00 0.00 51.96 54.01 1l4s s ALA 103 Cb -0.01 -1.08 0.02 0.00 0.00 0.00 0.00 23.12 22.05 1l4s s ALA 103 CO 0.13 -0.32 0.21 -0.80 0.00 0.00 0.00 175.76 174.98 1l4s s ASN 104 N 0.14 -0.18 -1.71 0.00 0.01 -1.26 -4.86 114.94 107.07 1l4s s ASN 104 Ca -0.01 0.31 -0.01 0.00 -0.71 0.00 0.00 52.86 52.45 1l4s s ASN 104 Cb -0.04 0.40 0.00 0.00 0.41 0.00 0.00 41.25 42.01 1l4s s ASN 104 CO 0.01 -0.14 0.14 0.49 -1.51 0.00 0.00 177.10 176.09 1l4s n PHE 105 N 2.63 -1.20 -3.60 2.20 3.72 -1.26 -4.96 117.46 114.98 1l4s n PHE 105 Ca -0.15 0.12 -0.29 0.00 -0.05 0.00 0.00 57.45 57.08 1l4s n PHE 105 Cb 0.58 -4.06 -0.15 0.00 -0.94 0.00 0.00 39.48 34.91 1l4s n PHE 105 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1l4s s VAL 106 N -3.06 0.32 0.57 -4.37 -7.23 -1.26 -5.13 120.40 100.23 1l4s s VAL 106 Ca 0.07 -1.13 -0.16 0.00 -1.81 0.00 0.00 61.98 58.95 1l4s s VAL 106 Cb -0.03 -1.26 -0.05 0.00 0.56 0.00 0.00 36.38 35.60 1l4s s VAL 106 CO 0.09 -0.75 1.03 -1.83 -0.31 0.00 0.00 175.10 173.33 1l4s s GLU 107 N 1.77 3.54 0.04 4.82 -1.05 -1.26 -4.98 118.70 121.58 1l4s s GLU 107 Ca 0.11 1.11 -0.31 0.00 -0.15 0.00 0.00 54.97 55.72 1l4s s GLU 107 Cb -0.17 -2.07 -0.07 0.00 -0.44 0.00 0.00 34.13 31.38 1l4s s GLU 107 CO -0.28 -0.62 1.49 -1.83 0.95 0.00 0.00 175.26 174.97 1l4s s GLU 108 N -4.11 4.25 0.01 -4.83 -1.05 -1.26 -5.01 118.70 106.71 1l4s s GLU 108 Ca 0.62 2.12 0.03 0.00 -0.15 0.00 0.00 54.97 57.59 1l4s s GLU 108 Cb -0.14 -3.52 -0.04 0.00 -0.44 0.00 0.00 34.13 29.99 1l4s s GLU 108 CO 0.35 -0.61 -0.03 0.54 0.95 0.00 0.00 175.26 176.46 1l4s s VAL 109 N 2.27 3.88 -0.69 1.83 0.11 -1.26 -5.07 120.40 121.47 1l4s s VAL 109 Ca 0.68 -0.74 -0.25 0.00 -2.93 0.00 0.00 61.98 58.74 1l4s s VAL 109 Cb -0.35 -2.72 0.05 0.00 -1.53 0.00 0.00 36.38 31.83 1l4s s VAL 109 CO 0.29 0.35 1.10 -1.61 -3.33 0.00 0.00 175.10 171.90 1l4s s GLU 110 N -1.58 3.15 0.54 1.54 2.02 -1.26 -4.84 118.70 118.28 1l4s s GLU 110 Ca 0.19 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.62 1l4s s GLU 110 Cb -0.11 -4.20 0.00 0.00 0.10 0.00 0.00 34.13 29.92 1l4s s GLU 110 CO 0.10 -1.94 0.00 -1.91 0.02 0.00 0.00 175.26 171.52 1l4s n GLU 111 N 8.40 -3.76 0.00 1.61 4.07 -1.26 -5.35 120.64 124.34 1l4s n GLU 111 Ca -0.01 2.92 0.09 0.00 -0.06 0.00 0.00 57.16 60.10 1l4s n GLU 111 Cb 0.47 -3.65 0.07 0.00 -0.06 0.00 0.00 31.44 28.27 1l4s n GLU 111 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46