#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 1.23 -4.93 1.09 3.85 -1.26 -4.70 117.12 112.39 1l4s n MET 2 Ca 0.00 0.47 -0.31 0.00 -1.00 0.00 0.00 57.70 56.87 1l4s n MET 2 Cb 0.00 -2.50 -0.17 0.00 -1.05 0.00 0.00 33.22 29.50 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 -1.25 2.82 -0.09 3.17 3.84 -1.13 -5.05 114.94 117.24 1l4s s ASN 3 Ca 0.79 -0.51 0.01 0.00 0.21 0.00 0.00 52.86 53.36 1l4s s ASN 3 Cb -0.39 -1.29 0.02 0.00 -0.55 0.00 0.00 41.25 39.04 1l4s s ASN 3 CO 0.43 0.11 -0.10 -0.63 -2.79 0.00 0.00 177.10 174.12 1l4s s ILE 4 N 0.55 1.08 0.12 -5.21 1.01 -1.26 0.10 121.20 117.59 1l4s s ILE 4 Ca -0.15 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.15 1l4s s ILE 4 Cb -0.17 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 1l4s s ILE 4 CO 0.05 0.36 -0.05 0.42 0.00 0.00 0.00 174.94 175.72 1l4s s THR 5 N 1.25 0.69 -0.26 2.92 -4.23 0.79 -4.90 115.64 111.91 1l4s s THR 5 Ca -0.03 -1.95 -0.26 0.00 -1.18 0.00 0.00 61.69 58.27 1l4s s THR 5 Cb -0.14 -1.78 0.09 0.00 1.34 0.00 0.00 72.50 72.01 1l4s s THR 5 CO -0.03 -0.78 0.86 -0.94 -0.54 0.00 0.00 174.62 173.18 1l4s s SER 6 N -3.07 -0.60 -0.40 3.99 1.04 -1.26 -0.04 113.70 113.35 1l4s s SER 6 Ca 0.15 1.12 0.06 0.00 0.48 0.00 0.00 55.95 57.76 1l4s s SER 6 Cb 0.05 1.12 0.70 0.00 0.10 0.00 0.00 66.02 68.00 1l4s s SER 6 CO -0.03 -0.23 1.87 0.29 0.98 0.00 0.00 173.24 176.12 1l4s n LYS 7 N 2.31 2.84 0.00 4.02 4.76 -1.25 -4.39 118.16 126.45 1l4s n LYS 7 Ca -0.13 -3.05 0.00 0.00 -2.87 0.00 0.00 58.31 52.26 1l4s n LYS 7 Cb 0.56 -2.19 0.00 0.00 -1.84 0.00 0.00 35.03 31.55 1l4s n LYS 7 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1l4s n GLN 8 N -0.75 0.00 -3.24 1.97 6.02 -1.26 -5.09 117.38 115.03 1l4s n GLN 8 Ca 0.52 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 57.33 1l4s n GLN 8 Cb 1.56 -0.21 -0.01 0.00 1.02 0.00 0.00 30.24 32.60 1l4s n GLN 8 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1l4s n MET 9 N -2.03 1.05 -4.49 -1.09 2.81 -1.26 -5.16 117.12 106.94 1l4s n MET 9 Ca 0.00 -2.27 -0.26 0.00 -1.81 0.00 0.00 57.70 53.36 1l4s n MET 9 Cb 0.00 0.37 -0.10 0.00 -0.71 0.00 0.00 33.22 32.78 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 -3.36 1.91 -0.46 0.03 2.12 -1.26 -4.59 118.70 113.09 1l4s s GLU 10 Ca 0.13 -1.91 -0.22 0.00 0.36 0.00 0.00 54.97 53.33 1l4s s GLU 10 Cb -0.01 -1.76 0.03 0.00 0.26 0.00 0.00 34.13 32.65 1l4s s GLU 10 CO 0.08 0.11 0.74 0.42 -0.54 0.00 0.00 175.26 176.08 1l4s s ILE 11 N -2.60 4.70 0.26 -3.70 -1.09 -1.26 -5.03 121.20 112.47 1l4s s ILE 11 Ca 0.34 0.25 0.03 0.00 -2.23 0.00 0.00 60.65 59.03 1l4s s ILE 11 Cb 0.03 -4.30 -0.03 0.00 -1.58 0.00 0.00 42.46 36.57 1l4s s ILE 11 CO 0.18 -0.72 0.41 0.42 -1.23 0.00 0.00 174.94 173.99 1l4s s THR 12 N 3.16 5.22 -0.46 2.92 -4.23 -1.26 -4.98 115.64 116.00 1l4s s THR 12 Ca 0.27 -0.77 0.17 0.00 -1.18 0.00 0.00 61.69 60.18 1l4s s THR 12 Cb -0.13 -3.84 0.17 0.00 1.34 0.00 0.00 72.50 70.04 1l4s s THR 12 CO 0.20 -0.36 1.53 -2.65 -0.54 0.00 0.00 174.62 172.80 1l4s n PRO 13 N -1.37 0.11 0.03 3.99 -0.02 -1.26 -1.25 135.00 135.23 1l4s n PRO 13 Ca -0.07 0.55 -0.22 0.00 -2.02 0.00 0.00 63.50 61.73 1l4s n PRO 13 Cb 0.56 -1.82 -0.14 0.00 -0.02 0.00 0.00 33.50 32.08 1l4s n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1l4s h ALA 14 N 2.08 0.21 -0.04 3.55 0.00 -1.98 -2.43 119.26 120.66 1l4s h ALA 14 Ca 0.00 -1.16 -0.14 0.00 0.00 0.00 0.00 54.91 53.61 1l4s h ALA 14 Cb 0.09 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1l4s h ALA 14 CO 0.00 0.97 -0.60 0.82 0.00 0.00 0.00 179.25 180.44 1l4s h ILE 15 N -0.11 1.41 -0.11 0.00 2.04 -1.79 0.63 117.51 119.58 1l4s h ILE 15 Ca -0.34 -2.01 -0.12 0.00 1.00 0.00 0.00 64.86 63.39 1l4s h ILE 15 Cb 1.92 2.05 0.00 0.00 -0.74 0.00 0.00 36.82 40.05 1l4s h ILE 15 CO 0.10 0.58 -0.42 0.08 0.00 0.00 0.00 178.15 178.50 1l4s h ARG 16 N 0.10 0.48 -0.57 2.37 0.11 -1.30 -2.58 114.38 112.98 1l4s h ARG 16 Ca -0.01 -0.37 -0.08 0.00 0.10 0.00 0.00 59.98 59.62 1l4s h ARG 16 Cb 1.08 0.07 -0.02 0.00 1.11 0.00 0.00 29.97 32.21 1l4s h ARG 16 CO 0.09 0.99 0.02 0.37 0.10 0.00 0.00 179.97 181.54 1l4s h GLN 17 N 0.06 0.97 0.00 0.08 -0.00 -1.33 0.24 115.11 115.13 1l4s h GLN 17 Ca -0.02 -0.28 -0.00 0.00 -0.00 0.00 0.00 58.65 58.35 1l4s h GLN 17 Cb 1.05 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.43 1l4s h GLN 17 CO 0.09 0.94 -0.00 1.25 0.00 0.00 0.00 178.83 181.11 1l4s h HIS 18 N 0.89 -0.01 -0.47 3.99 2.76 -0.87 0.95 115.15 122.40 1l4s h HIS 18 Ca 0.17 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.31 1l4s h HIS 18 Cb 0.50 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 1l4s h HIS 18 CO 0.03 0.01 0.17 0.28 -1.30 0.00 0.00 177.93 177.12 1l4s h VAL 19 N -0.02 1.22 -0.57 5.26 2.07 -1.29 -2.66 116.25 120.25 1l4s h VAL 19 Ca -0.00 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 1l4s h VAL 19 Cb 0.02 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1l4s h VAL 19 CO 0.00 0.26 0.18 0.00 0.02 0.00 0.00 177.57 178.03 1l4s h ALA 20 N 1.02 1.25 -0.59 1.67 0.00 -0.15 -0.28 119.26 122.17 1l4s h ALA 20 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1l4s h ALA 20 Cb 0.23 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1l4s h ALA 20 CO -0.01 0.53 0.38 0.38 0.00 0.00 0.00 179.25 180.54 1l4s h ASP 21 N 0.83 0.69 1.23 0.00 3.04 0.13 0.20 116.42 122.53 1l4s h ASP 21 Ca 0.19 -0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.95 1l4s h ASP 21 Cb 0.24 -0.17 0.00 0.00 -1.04 0.00 0.00 39.33 38.36 1l4s h ASP 21 CO -0.01 0.52 0.00 0.08 -2.04 0.00 0.00 179.24 177.79 1l4s h ARG 22 N 0.80 0.00 0.31 4.15 -0.00 -1.20 -2.39 114.38 116.05 1l4s h ARG 22 Ca 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 60.18 1l4s h ARG 22 Cb -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.90 1l4s h ARG 22 CO -0.04 0.00 -0.15 1.25 -0.00 0.00 0.00 179.97 181.03 1l4s h LEU 23 N 0.00 -0.35 -2.45 0.08 7.12 0.96 -1.47 115.31 119.20 1l4s h LEU 23 Ca 0.00 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.02 1l4s h LEU 23 Cb 0.61 0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.83 1l4s h LEU 23 CO 0.00 -0.09 -0.02 0.00 -0.13 0.00 0.00 178.44 178.20 1l4s h ALA 24 N -1.49 1.09 0.00 1.25 0.00 -0.75 -1.51 119.26 117.84 1l4s h ALA 24 Ca -0.04 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 1l4s h ALA 24 Cb 0.32 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1l4s h ALA 24 CO 0.07 0.02 -0.99 -0.22 0.00 0.00 0.00 179.25 178.13 1l4s h LYS 25 N 0.00 0.00 -3.09 0.00 3.11 -1.44 -3.36 116.57 111.78 1l4s h LYS 25 Ca -0.00 0.00 -0.65 0.00 -2.81 0.00 0.00 60.65 57.19 1l4s h LYS 25 Cb 0.16 0.00 0.03 0.00 -1.00 0.00 0.00 32.23 31.42 1l4s h LYS 25 CO 0.00 0.97 3.72 1.28 -2.81 0.00 0.00 179.45 182.62 1l4s n LEU 26 N -3.34 8.34 0.02 5.20 4.77 -0.56 -4.68 117.00 126.75 1l4s n LEU 26 Ca -0.00 -4.22 -0.01 0.00 -0.03 0.00 0.00 56.01 51.75 1l4s n LEU 26 Cb 0.93 -1.52 -0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1l4s n LEU 26 CO 0.47 1.90 0.35 -0.08 -1.33 0.00 0.00 177.39 178.70 1l4s h GLU 27 N 5.18 -0.04 -0.34 3.23 4.22 -1.77 0.16 114.58 125.21 1l4s h GLU 27 Ca 0.83 0.00 0.10 0.00 0.08 0.00 0.00 59.36 60.37 1l4s h GLU 27 Cb 0.29 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1l4s h GLU 27 CO 1.77 -0.03 0.52 1.57 -2.18 0.00 0.00 179.01 180.66 1l4s h LYS 28 N -0.06 0.00 0.15 1.92 5.09 -1.96 -0.61 116.57 121.10 1l4s h LYS 28 Ca -0.00 0.00 -0.31 0.00 0.09 0.00 0.00 60.65 60.43 1l4s h LYS 28 Cb 0.04 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.37 1l4s h LYS 28 CO 0.01 0.00 -1.52 -1.49 -2.09 0.00 0.00 179.45 174.35 1l4s h TRP 29 N 0.00 0.59 0.00 0.07 4.06 -1.91 -3.40 115.95 115.36 1l4s h TRP 29 Ca 0.16 -0.43 -0.63 0.00 2.06 0.00 0.00 58.89 60.05 1l4s h TRP 29 Cb 1.20 -0.02 0.07 0.00 -1.00 0.00 0.00 29.16 29.40 1l4s h TRP 29 CO 0.00 1.59 2.11 0.00 -3.56 0.00 0.00 178.44 178.59 1l4s n GLN 30 N -3.79 1.20 -0.02 0.49 10.64 0.55 -4.55 117.38 121.91 1l4s n GLN 30 Ca -0.24 -1.65 -0.16 0.00 -1.83 0.00 0.00 57.00 53.12 1l4s n GLN 30 Cb 0.98 -2.81 -0.13 0.00 -0.86 0.00 0.00 30.24 27.42 1l4s n GLN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1l4s h THR 31 N 4.54 1.63 0.00 -0.39 1.03 -1.79 -3.49 112.91 114.45 1l4s h THR 31 Ca 0.39 -2.25 0.00 0.00 -0.01 0.00 0.00 66.41 64.54 1l4s h THR 31 Cb 0.65 3.11 0.00 0.00 -1.07 0.00 0.00 68.15 70.84 1l4s h THR 31 CO 1.96 0.61 0.00 1.41 -0.01 0.00 0.00 175.52 179.49 1l4s n HIS 32 N -4.44 0.00 -1.53 0.00 8.25 -1.26 -5.17 115.22 111.07 1l4s n HIS 32 Ca -0.11 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.38 1l4s n HIS 32 Cb 0.58 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.68 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 -0.04 -1.57 -3.61 2.41 4.77 -1.26 -4.96 117.00 112.75 1l4s n LEU 33 Ca 0.00 2.76 -0.26 0.00 -0.03 0.00 0.00 56.01 58.47 1l4s n LEU 33 Cb 0.00 -3.07 -0.17 0.00 -2.33 0.00 0.00 43.42 37.85 1l4s n LEU 33 CO 0.00 -1.00 -0.33 -0.63 -1.33 0.00 0.00 177.39 174.10 1l4s s ILE 34 N -5.25 -0.09 -0.66 -0.08 1.09 -0.38 -4.96 121.20 110.87 1l4s s ILE 34 Ca 0.00 -0.18 -0.07 0.00 -1.10 0.00 0.00 60.65 59.30 1l4s s ILE 34 Cb 0.00 -0.58 0.01 0.00 -1.06 0.00 0.00 42.46 40.83 1l4s s ILE 34 CO 0.00 -0.29 0.66 0.59 -0.10 0.00 0.00 174.94 175.79 1l4s n ASN 35 N 5.28 -7.07 -4.80 3.58 4.13 -1.26 -4.27 115.26 110.84 1l4s n ASN 35 Ca -0.07 -0.11 -0.33 0.00 1.68 0.00 0.00 54.58 55.75 1l4s n ASN 35 Cb 0.49 -4.31 -0.02 0.00 -1.54 0.00 0.00 39.78 34.39 1l4s n ASN 35 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1l4s s PRO 36 N -3.24 3.71 -0.03 3.52 0.04 -1.26 -4.71 135.00 133.03 1l4s s PRO 36 Ca 0.09 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.42 1l4s s PRO 36 Cb -0.02 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1l4s s PRO 36 CO 0.79 -0.49 -0.06 -1.58 0.04 0.00 0.00 177.00 175.70 1l4s s HIS 37 N -2.17 0.73 -0.08 0.56 2.46 -0.85 -2.83 115.29 113.11 1l4s s HIS 37 Ca 0.65 -0.18 0.05 0.00 0.47 0.00 0.00 55.06 56.05 1l4s s HIS 37 Cb -0.15 -0.59 -0.00 0.00 -0.13 0.00 0.00 32.58 31.71 1l4s s HIS 37 CO 0.25 -0.13 -0.22 0.42 -2.47 0.00 0.00 174.74 172.59 1l4s s ILE 38 N 0.53 1.90 0.08 0.89 -1.09 0.28 -1.29 121.20 122.51 1l4s s ILE 38 Ca -0.07 -0.95 0.10 0.00 -2.23 0.00 0.00 60.65 57.50 1l4s s ILE 38 Cb -0.11 -1.64 -0.03 0.00 -1.58 0.00 0.00 42.46 39.10 1l4s s ILE 38 CO 0.00 0.53 -0.26 -0.63 -1.23 0.00 0.00 174.94 173.35 1l4s s ILE 39 N 0.18 2.24 -0.11 2.92 1.01 0.15 -0.15 121.20 127.45 1l4s s ILE 39 Ca -0.12 -1.53 0.02 0.00 0.00 0.00 0.00 60.65 59.02 1l4s s ILE 39 Cb -0.16 -1.93 0.01 0.00 0.01 0.00 0.00 42.46 40.40 1l4s s ILE 39 CO 0.06 0.25 -0.17 -0.76 0.00 0.00 0.00 174.94 174.32 1l4s s LEU 40 N -1.59 1.81 0.00 2.97 1.43 0.94 -0.83 118.68 123.40 1l4s s LEU 40 Ca 0.13 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1l4s s LEU 40 Cb -0.10 -1.14 -0.00 0.00 0.03 0.00 0.00 46.19 44.97 1l4s s LEU 40 CO 0.04 0.04 0.01 -1.54 0.23 0.00 0.00 176.35 175.14 1l4s n SER 41 N 4.07 2.06 -3.63 2.29 3.41 0.16 -3.74 113.62 118.23 1l4s n SER 41 Ca -0.20 -1.73 -0.11 0.00 -0.26 0.00 0.00 58.87 56.57 1l4s n SER 41 Cb 0.51 0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 64.58 1l4s n SER 41 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1l4s s LYS 42 N -2.58 0.68 0.14 4.33 2.20 -1.26 -2.27 119.74 120.99 1l4s s LYS 42 Ca 0.02 0.84 0.05 0.00 -0.36 0.00 0.00 55.97 56.52 1l4s s LYS 42 Cb 0.00 0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 36.60 1l4s s LYS 42 CO 0.01 -0.09 -0.11 -1.21 -0.36 0.00 0.00 175.35 173.60 1l4s s GLU 43 N 0.40 1.06 0.61 4.03 0.41 0.25 -4.93 118.70 120.54 1l4s s GLU 43 Ca 0.01 -1.41 0.28 0.00 -0.41 0.00 0.00 54.97 53.44 1l4s s GLU 43 Cb -0.05 -0.71 1.47 0.00 -1.78 0.00 0.00 34.13 33.06 1l4s s GLU 43 CO -0.03 0.10 1.87 -1.35 -0.49 0.00 0.00 175.26 175.36 1l4s h PRO 44 N 2.94 0.00 -0.01 0.39 0.11 -2.02 0.48 132.00 133.89 1l4s h PRO 44 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1l4s h PRO 44 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1l4s h PRO 44 CO 0.60 0.00 -0.28 0.94 -0.21 0.00 0.00 178.00 179.06 1l4s n GLN 45 N -3.47 0.64 -1.77 1.05 7.27 -1.26 -5.04 117.38 114.79 1l4s n GLN 45 Ca 0.06 -0.35 0.00 0.00 0.07 0.00 0.00 57.00 56.77 1l4s n GLN 45 Cb 0.62 -1.49 0.00 0.00 2.41 0.00 0.00 30.24 31.78 1l4s n GLN 45 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1l4s n GLY 46 N 1.37 0.29 3.65 1.69 0.00 0.17 -4.62 105.19 107.74 1l4s n GLY 46 Ca 0.11 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.94 2.81 -0.02 1.61 0.40 -0.89 0.88 117.98 119.83 1l4s s PHE 47 Ca 0.00 -0.15 0.05 0.00 -0.60 0.00 0.00 56.93 56.23 1l4s s PHE 47 Cb 0.00 -1.35 -0.01 0.00 0.51 0.00 0.00 43.02 42.17 1l4s s PHE 47 CO 0.00 0.53 -0.16 0.08 0.70 0.00 0.00 175.22 176.36 1l4s s VAL 48 N -1.78 1.29 -0.09 -0.44 1.01 -0.96 -2.83 120.40 116.60 1l4s s VAL 48 Ca 0.28 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 1l4s s VAL 48 Cb -0.09 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.24 1l4s s VAL 48 CO 0.18 0.37 -0.07 0.00 0.00 0.00 0.00 175.10 175.58 1l4s s ALA 49 N -0.33 1.17 0.08 5.51 0.00 0.03 0.36 121.76 128.60 1l4s s ALA 49 Ca 0.05 -0.43 0.10 0.00 0.00 0.00 0.00 51.96 51.68 1l4s s ALA 49 Cb -0.07 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 1l4s s ALA 49 CO -0.00 -0.30 -0.26 -0.51 0.00 0.00 0.00 175.76 174.68 1l4s s ASP 50 N 1.51 3.30 -0.05 0.00 1.01 -0.01 -0.63 116.67 121.80 1l4s s ASP 50 Ca 0.01 -0.65 -0.04 0.00 0.71 0.00 0.00 52.55 52.57 1l4s s ASP 50 Cb -0.13 -0.29 0.01 0.00 1.01 0.00 0.00 42.92 43.52 1l4s s ASP 50 CO -0.05 0.22 0.13 0.00 0.21 0.00 0.00 175.17 175.68 1l4s s ALA 51 N -0.94 -0.31 -0.03 5.23 0.00 -0.44 0.33 121.76 125.60 1l4s s ALA 51 Ca 0.13 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.48 1l4s s ALA 51 Cb -0.10 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.82 1l4s s ALA 51 CO 0.04 -0.07 -0.03 0.99 0.00 0.00 0.00 175.76 176.70 1l4s s THR 52 N 0.13 0.37 -0.03 0.00 2.01 -0.41 -2.28 115.64 115.43 1l4s s THR 52 Ca -0.01 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 61.98 1l4s s THR 52 Cb -0.02 -0.42 0.01 0.00 0.01 0.00 0.00 72.50 72.08 1l4s s THR 52 CO -0.00 0.18 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.39 1l4s s ILE 53 N 0.87 0.76 -0.27 1.82 1.01 -0.98 -2.01 121.20 122.40 1l4s s ILE 53 Ca -0.10 -0.34 -0.09 0.00 0.00 0.00 0.00 60.65 60.12 1l4s s ILE 53 Cb -0.13 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 1l4s s ILE 53 CO -0.01 0.25 0.14 0.20 0.00 0.00 0.00 174.94 175.52 1l4s s ASN 54 N 0.29 5.60 0.22 3.58 -0.87 -1.26 -1.87 114.94 120.63 1l4s s ASN 54 Ca -0.05 -0.16 0.09 0.00 -1.57 0.00 0.00 52.86 51.17 1l4s s ASN 54 Cb -0.09 -2.03 -0.04 0.00 -0.02 0.00 0.00 41.25 39.07 1l4s s ASN 54 CO 0.01 -0.06 -0.02 0.42 -2.57 0.00 0.00 177.10 174.87 1l4s s THR 55 N 1.68 3.51 -0.37 1.60 -4.23 0.14 -1.25 115.64 116.72 1l4s s THR 55 Ca 0.06 -1.69 0.20 0.00 -1.18 0.00 0.00 61.69 59.09 1l4s s THR 55 Cb -0.16 -2.81 0.21 0.00 1.34 0.00 0.00 72.50 71.08 1l4s s THR 55 CO 0.07 -0.23 1.62 -2.65 -0.54 0.00 0.00 174.62 172.89 1l4s n PRO 56 N -0.46 0.14 -0.38 3.99 -0.02 -1.26 -1.77 135.00 135.25 1l4s n PRO 56 Ca -0.08 0.55 0.07 0.00 -2.02 0.00 0.00 63.50 62.02 1l4s n PRO 56 Cb 0.57 -1.89 0.19 0.00 -0.02 0.00 0.00 33.50 32.35 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 -2.17 2.40 0.00 2.55 3.02 -1.26 -5.09 115.26 114.71 1l4s n ASN 57 Ca -0.00 -3.41 0.00 0.00 -0.03 0.00 0.00 54.58 51.14 1l4s n ASN 57 Cb 0.09 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 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 -1.17 0.82 2.92 7.41 0.00 -0.73 -5.11 105.19 109.33 1l4s n GLY 58 Ca 0.20 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.67 0.14 0.14 1.61 1.01 -1.26 0.27 120.40 120.63 1l4s s VAL 59 Ca 0.00 -0.28 0.09 0.00 0.00 0.00 0.00 61.98 61.79 1l4s s VAL 59 Cb 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.18 1l4s s VAL 59 CO 0.00 -0.09 -0.18 -0.76 0.00 0.00 0.00 175.10 174.07 1l4s s LEU 60 N -0.39 2.70 0.02 3.92 1.43 -0.78 -4.99 118.68 120.58 1l4s s LEU 60 Ca -0.03 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 1l4s s LEU 60 Cb -0.03 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 1l4s s LEU 60 CO -0.00 0.16 -0.03 0.54 0.23 0.00 0.00 176.35 177.25 1l4s s VAL 61 N -1.29 0.15 -0.04 -1.59 0.11 -1.26 -2.31 120.40 114.16 1l4s s VAL 61 Ca 0.19 -0.77 -0.22 0.00 -2.93 0.00 0.00 61.98 58.25 1l4s s VAL 61 Cb -0.10 -0.26 0.05 0.00 -1.53 0.00 0.00 36.38 34.54 1l4s s VAL 61 CO 0.11 -0.39 0.49 0.00 -3.33 0.00 0.00 175.10 171.97 1l4s s ALA 62 N -1.19 -1.25 0.06 1.54 0.00 -0.97 -4.82 121.76 115.13 1l4s s ALA 62 Ca -0.12 0.82 -0.06 0.00 0.00 0.00 0.00 51.96 52.60 1l4s s ALA 62 Cb -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1l4s s ALA 62 CO -0.01 -0.31 0.10 -1.12 0.00 0.00 0.00 175.76 174.42 1l4s s SER 63 N -1.20 0.24 -0.26 0.00 0.01 -1.26 -1.32 113.70 109.91 1l4s s SER 63 Ca -0.12 -0.71 -0.01 0.00 1.31 0.00 0.00 55.95 56.43 1l4s s SER 63 Cb -0.03 0.26 0.14 0.00 0.21 0.00 0.00 66.02 66.61 1l4s s SER 63 CO 0.07 -0.62 0.36 -0.83 0.41 0.00 0.00 173.24 172.63 1l4s s GLY 64 N -2.63 -0.39 -0.69 3.44 0.00 0.19 -4.30 107.32 102.95 1l4s s GLY 64 Ca 0.02 0.46 -0.01 0.00 0.00 0.00 0.00 44.72 45.20 1l4s s GLY 64 CO -0.09 2.75 1.87 0.28 0.00 0.00 0.00 173.10 177.91 1l4s n LYS 65 N 5.35 2.87 -2.04 2.90 4.01 -1.26 -0.79 118.16 129.20 1l4s n LYS 65 Ca -0.02 -3.58 -0.32 0.00 -0.51 0.00 0.00 58.31 53.88 1l4s n LYS 65 Cb 0.49 -2.28 0.01 0.00 -0.51 0.00 0.00 35.03 32.74 1l4s n LYS 65 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1l4s s HIS 66 N -3.88 3.18 0.54 2.13 2.46 -1.13 -4.70 115.29 113.89 1l4s s HIS 66 Ca 0.57 1.47 0.22 0.00 0.47 0.00 0.00 55.06 57.78 1l4s s HIS 66 Cb 0.46 -2.91 1.48 0.00 -0.13 0.00 0.00 32.58 31.48 1l4s s HIS 66 CO -0.19 -0.91 2.18 1.05 -2.47 0.00 0.00 174.74 174.40 1l4s h GLU 67 N 0.31 0.00 -5.01 2.88 4.11 -1.81 -2.37 114.58 112.69 1l4s h GLU 67 Ca -0.46 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.33 1l4s h GLU 67 Cb 1.21 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.30 1l4s h GLU 67 CO 0.59 0.01 -0.41 0.34 0.07 0.00 0.00 179.01 179.61 1l4s s ASP 68 N -6.69 6.11 0.24 3.06 -1.08 -1.26 -3.90 116.67 113.15 1l4s s ASP 68 Ca -0.05 0.11 -0.07 0.00 -0.52 0.00 0.00 52.55 52.02 1l4s s ASP 68 Cb 0.16 -2.16 0.41 0.00 -1.46 0.00 0.00 42.92 39.87 1l4s s ASP 68 CO 0.62 -0.10 1.66 -0.03 0.52 0.00 0.00 175.17 177.84 1l4s h MET 69 N 8.27 0.15 -0.54 4.34 1.85 -1.89 0.32 114.93 127.44 1l4s h MET 69 Ca -0.34 -0.01 -0.09 0.00 -0.61 0.00 0.00 59.70 58.66 1l4s h MET 69 Cb 1.18 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 33.16 1l4s h MET 69 CO 0.59 0.10 -0.01 1.88 -0.40 0.00 0.00 176.91 179.07 1l4s h TYR 70 N 0.15 1.04 -0.49 1.39 -1.99 -1.95 -2.32 116.97 112.81 1l4s h TYR 70 Ca 0.39 -0.18 -0.07 0.00 2.00 0.00 0.00 58.73 60.86 1l4s h TYR 70 Cb 0.67 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 39.11 1l4s h TYR 70 CO -0.36 0.95 0.00 1.15 -0.00 0.00 0.00 178.16 179.91 1l4s h THR 71 N 0.83 1.24 0.07 -2.88 2.02 -1.46 -0.66 112.91 112.07 1l4s h THR 71 Ca 0.15 -1.01 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 1l4s h THR 71 Cb 0.54 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1l4s h THR 71 CO 0.03 0.36 -0.03 0.00 0.37 0.00 0.00 175.52 176.24 1l4s h ALA 72 N 1.24 -0.09 -0.70 6.16 0.00 -0.24 0.51 119.26 126.14 1l4s h ALA 72 Ca 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1l4s h ALA 72 Cb 0.45 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1l4s h ALA 72 CO 0.02 -0.47 0.36 0.82 0.00 0.00 0.00 179.25 179.97 1l4s h ILE 73 N -0.24 1.23 -0.75 0.00 2.04 -1.31 0.26 117.51 118.72 1l4s h ILE 73 Ca -0.01 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 1l4s h ILE 73 Cb 0.21 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1l4s h ILE 73 CO 0.01 0.26 0.25 -1.13 0.00 0.00 0.00 178.15 177.54 1l4s h ASN 74 N 0.98 1.09 -0.51 1.72 -0.73 -0.94 -2.52 115.58 114.67 1l4s h ASN 74 Ca 0.24 -0.20 -0.10 0.00 1.87 0.00 0.00 56.30 58.12 1l4s h ASN 74 Cb 0.09 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.38 1l4s h ASN 74 CO -0.03 1.00 -0.06 -0.33 -0.37 0.00 0.00 177.43 177.63 1l4s h GLU 75 N 1.12 0.94 0.28 6.67 5.08 0.66 -1.47 114.58 127.86 1l4s h GLU 75 Ca 0.24 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1l4s h GLU 75 Cb 0.29 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1l4s h GLU 75 CO -0.01 1.00 -0.44 1.25 -1.00 0.00 0.00 179.01 179.81 1l4s h LEU 76 N 0.81 -1.25 -1.97 1.33 6.46 -0.17 0.46 115.31 120.98 1l4s h LEU 76 Ca 0.14 0.12 0.15 0.00 -0.12 0.00 0.00 57.88 58.16 1l4s h LEU 76 Cb 0.61 0.44 -0.02 0.00 -0.73 0.00 0.00 40.66 40.96 1l4s h LEU 76 CO 0.04 -0.52 0.37 0.40 -0.62 0.00 0.00 178.44 178.11 1l4s h ILE 77 N -0.75 0.75 -0.89 4.05 2.04 -1.46 0.48 117.51 121.73 1l4s h ILE 77 Ca -0.03 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 65.88 1l4s h ILE 77 Cb 0.69 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 1l4s h ILE 77 CO -0.14 0.00 0.58 -1.13 0.00 0.00 0.00 178.15 177.47 1l4s h ASN 78 N 0.03 0.90 0.79 1.72 -1.24 0.16 0.45 115.58 118.38 1l4s h ASN 78 Ca 0.25 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 57.07 1l4s h ASN 78 Cb 0.95 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.78 1l4s h ASN 78 CO -0.01 0.59 -0.89 0.11 -1.29 0.00 0.00 177.43 175.95 1l4s h LYS 79 N 1.03 0.06 -0.06 6.67 6.56 0.11 -0.13 116.57 130.81 1l4s h LYS 79 Ca 0.37 -0.08 -0.01 0.00 -1.06 0.00 0.00 60.65 59.88 1l4s h LYS 79 Cb 0.16 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 31.84 1l4s h LYS 79 CO -0.13 0.90 0.01 -0.07 -2.06 0.00 0.00 179.45 178.10 1l4s h LEU 80 N 0.03 0.09 -0.14 2.94 3.38 0.48 0.53 115.31 122.62 1l4s h LEU 80 Ca -0.02 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1l4s h LEU 80 Cb 1.55 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 1l4s h LEU 80 CO 0.12 0.31 0.08 -0.08 0.09 0.00 0.00 178.44 178.96 1l4s h GLU 81 N -0.12 0.17 0.00 1.13 4.81 -0.21 -0.48 114.58 119.87 1l4s h GLU 81 Ca 0.02 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1l4s h GLU 81 Cb 0.25 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 1l4s h GLU 81 CO 0.00 0.11 -0.12 0.00 -0.73 0.00 0.00 179.01 178.27 1l4s h ARG 82 N 0.17 0.00 -0.01 1.92 3.08 -0.84 -1.27 114.38 117.43 1l4s h ARG 82 Ca 0.05 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1l4s h ARG 82 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1l4s h ARG 82 CO -0.02 0.12 -0.13 1.96 -1.07 0.00 0.00 179.97 180.82 1l4s h GLN 83 N 0.00 0.11 0.00 0.04 4.20 1.00 -3.18 115.11 117.28 1l4s h GLN 83 Ca -0.00 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 1l4s h GLN 83 Cb 0.31 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1l4s h GLN 83 CO 0.02 0.81 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.71 1l4s h LEU 84 N -0.56 0.00 -1.54 1.46 3.38 -0.86 -1.86 115.31 115.34 1l4s h LEU 84 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1l4s h LEU 84 Cb 0.85 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1l4s h LEU 84 CO 0.03 0.21 0.11 -1.13 0.09 0.00 0.00 178.44 177.75 1l4s h ASN 85 N 0.00 0.37 0.87 -0.43 -0.73 -1.24 -0.43 115.58 114.00 1l4s h ASN 85 Ca -0.00 -0.03 -0.09 0.00 1.87 0.00 0.00 56.30 58.05 1l4s h ASN 85 Cb 0.38 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 1l4s h ASN 85 CO 0.03 0.35 -0.42 0.07 -0.37 0.00 0.00 177.43 177.09 1l4s h LYS 86 N 0.42 0.00 -0.24 6.67 5.09 -1.32 -2.52 116.57 124.68 1l4s h LYS 86 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.82 1l4s h LYS 86 Cb 0.10 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.42 1l4s h LYS 86 CO -0.01 0.42 0.07 1.25 -2.09 0.00 0.00 179.45 179.09 1l4s h LEU 87 N 0.00 0.35 -0.10 7.07 7.12 -0.98 -2.42 115.31 126.36 1l4s h LEU 87 Ca -0.00 -0.21 0.00 0.00 0.13 0.00 0.00 57.88 57.79 1l4s h LEU 87 Cb 0.96 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.00 1l4s h LEU 87 CO 0.05 0.47 0.00 0.00 -0.13 0.00 0.00 178.44 178.84 1l4s n GLN 88 N -4.75 0.17 0.00 1.25 6.02 -1.10 -4.92 117.38 114.06 1l4s n GLN 88 Ca -0.03 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1l4s n GLN 88 Cb 0.16 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 29.71 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 -2.01 0.00 -1.44 1.08 8.25 -0.91 -4.90 115.22 115.29 1l4s n HIS 89 Ca 0.05 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.60 1l4s n HIS 89 Cb 0.36 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.42 1l4s n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1l4s n LYS 90 N 0.00 -3.56 0.00 -0.41 4.76 -1.26 -4.84 118.16 112.85 1l4s n LYS 90 Ca 0.00 2.84 0.00 0.00 -2.87 0.00 0.00 58.31 58.28 1l4s n LYS 90 Cb 0.00 -3.78 0.00 0.00 -1.84 0.00 0.00 35.03 29.41 1l4s n LYS 90 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1l4s n GLY 91 N -3.43 0.00 2.78 0.72 0.00 -1.26 -5.11 105.19 98.89 1l4s n GLY 91 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.99 1l4s n GLY 91 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1l4s s GLU 92 N 0.00 0.16 -0.15 1.61 2.56 -1.26 -5.12 118.70 116.49 1l4s s GLU 92 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 54.97 54.64 1l4s s GLU 92 Cb 0.00 0.02 -0.07 0.00 2.00 0.00 0.00 34.13 36.08 1l4s s GLU 92 CO 0.00 -0.23 2.15 0.00 -0.56 0.00 0.00 175.26 176.62 1l4s n ALA 93 N 3.77 1.67 -0.10 6.30 0.00 -1.26 -4.86 120.51 126.03 1l4s n ALA 93 Ca 0.06 -0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.27 1l4s n ALA 93 Cb 0.63 -2.83 -0.04 0.00 0.00 0.00 0.00 19.45 17.21 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 13.62 0.58 -6.36 0.00 3.08 -2.03 -3.43 114.38 119.84 1l4s h ARG 94 Ca -0.43 -0.23 -0.54 0.00 0.07 0.00 0.00 59.98 58.85 1l4s h ARG 94 Cb 1.25 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.23 1l4s h ARG 94 CO 0.96 0.79 0.18 0.50 -1.07 0.00 0.00 179.97 181.33 1l4s s ARG 95 N -4.72 4.53 -0.41 0.04 6.06 -1.26 -4.97 118.95 118.22 1l4s s ARG 95 Ca -0.13 1.12 0.05 0.00 -2.50 0.00 0.00 55.73 54.27 1l4s s ARG 95 Cb 0.08 -3.35 0.51 0.00 0.06 0.00 0.00 34.95 32.25 1l4s s ARG 95 CO 0.78 0.33 1.61 0.00 -2.50 0.00 0.00 175.30 175.52 1l4s n ALA 96 N 2.59 5.17 -2.33 6.12 0.00 -1.26 -4.99 120.51 125.80 1l4s n ALA 96 Ca -0.03 -3.35 -0.18 0.00 0.00 0.00 0.00 53.44 49.89 1l4s n ALA 96 Cb 0.50 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.85 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 -3.48 1.88 0.28 0.00 0.00 -1.26 -5.06 121.76 114.12 1l4s s ALA 97 Ca 0.53 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1l4s s ALA 97 Cb 0.44 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.64 1l4s s ALA 97 CO 0.02 -0.05 0.00 2.41 0.00 0.00 0.00 175.76 178.14 1l4s n THR 98 N -0.37 0.00 -4.56 0.00 -1.04 -1.26 -5.10 114.28 101.95 1l4s n THR 98 Ca -0.08 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.64 1l4s n THR 98 Cb 0.61 -0.32 -0.17 0.00 -1.82 0.00 0.00 70.33 68.64 1l4s n THR 98 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1l4s s SER 99 N -3.90 2.62 -0.88 8.00 0.01 -1.26 -5.04 113.70 113.25 1l4s s SER 99 Ca 0.00 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1l4s s SER 99 Cb 0.00 -1.19 0.34 0.00 0.21 0.00 0.00 66.02 65.38 1l4s s SER 99 CO 0.00 0.04 1.70 0.55 0.41 0.00 0.00 173.24 175.94 1l4s n VAL 100 N 4.12 4.80 -2.17 3.43 3.14 -1.26 -4.78 118.33 125.62 1l4s n VAL 100 Ca -0.19 -5.45 -0.21 0.00 -2.96 0.00 0.00 64.34 55.53 1l4s n VAL 100 Cb 0.51 -1.43 -0.03 0.00 -1.06 0.00 0.00 33.84 31.83 1l4s n VAL 100 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1l4s n LYS 101 N -0.23 -1.62 -2.56 1.45 4.01 -1.26 -4.11 118.16 113.83 1l4s n LYS 101 Ca 0.46 1.08 -0.03 0.00 -0.51 0.00 0.00 58.31 59.30 1l4s n LYS 101 Cb 0.30 -5.67 -0.03 0.00 -0.51 0.00 0.00 35.03 29.12 1l4s n LYS 101 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1l4s n ASP 102 N -1.83 -3.51 0.15 4.39 -0.08 -1.26 -4.87 116.55 109.54 1l4s n ASP 102 Ca -0.24 1.44 -0.00 0.00 -1.51 0.00 0.00 54.79 54.48 1l4s n ASP 102 Cb 0.69 -4.71 0.25 0.00 2.34 0.00 0.00 41.12 39.69 1l4s n ASP 102 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1l4s h ALA 103 N 4.28 1.16 -4.72 -1.67 0.00 -2.01 -3.49 119.26 112.82 1l4s h ALA 103 Ca -0.34 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.13 1l4s h ALA 103 Cb 0.77 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.39 1l4s h ALA 103 CO 0.01 0.62 -1.31 -1.71 0.00 0.00 0.00 179.25 176.85 1l4s n ASN 104 N -3.96 -2.94 -3.65 0.00 2.85 -1.26 -5.09 115.26 101.22 1l4s n ASN 104 Ca -0.02 1.38 -0.01 0.00 -0.11 0.00 0.00 54.58 55.82 1l4s n ASN 104 Cb 0.51 -4.91 -0.07 0.00 1.24 0.00 0.00 39.78 36.56 1l4s n ASN 104 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 1l4s s PHE 105 N -0.59 -0.13 -0.30 1.20 -0.71 -1.26 -5.06 117.98 111.13 1l4s s PHE 105 Ca -0.19 0.29 -0.18 0.00 -1.04 0.00 0.00 56.93 55.81 1l4s s PHE 105 Cb 0.01 0.29 0.19 0.00 -1.21 0.00 0.00 43.02 42.30 1l4s s PHE 105 CO 0.51 -0.06 1.20 0.54 -1.34 0.00 0.00 175.22 176.06 1l4s s VAL 106 N 0.54 -0.18 0.20 -2.49 0.11 -1.26 -5.13 120.40 112.19 1l4s s VAL 106 Ca -0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1l4s s VAL 106 Cb -0.04 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 1l4s s VAL 106 CO -0.13 0.00 0.00 1.21 -3.33 0.00 0.00 175.10 172.85 1l4s n GLU 107 N 4.57 -5.04 0.00 1.54 2.13 -1.26 -4.89 120.64 117.69 1l4s n GLU 107 Ca -0.08 3.62 0.00 0.00 0.66 0.00 0.00 57.16 61.36 1l4s n GLU 107 Cb 0.55 -3.85 0.00 0.00 0.27 0.00 0.00 31.44 28.41 1l4s n GLU 107 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1l4s n GLU 108 N 1.63 0.00 -4.11 5.31 0.28 -1.26 -4.77 120.64 117.71 1l4s n GLU 108 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.69 1l4s n GLU 108 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 1l4s n GLU 108 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1l4s s VAL 109 N 0.00 4.26 -0.17 3.84 1.01 -1.26 -5.02 120.40 123.06 1l4s s VAL 109 Ca 0.00 -0.84 0.12 0.00 0.00 0.00 0.00 61.98 61.26 1l4s s VAL 109 Cb 0.00 -3.02 -0.19 0.00 0.00 0.00 0.00 36.38 33.17 1l4s s VAL 109 CO 0.00 0.16 0.01 1.21 0.00 0.00 0.00 175.10 176.48 1l4s n GLU 110 N 0.64 1.24 -2.10 2.72 2.13 -1.26 -4.78 120.64 119.22 1l4s n GLU 110 Ca -0.10 0.01 -0.31 0.00 0.66 0.00 0.00 57.16 57.42 1l4s n GLU 110 Cb 0.52 -1.41 -0.05 0.00 0.27 0.00 0.00 31.44 30.77 1l4s n GLU 110 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1l4s n GLU 111 N -2.68 1.85 0.00 5.31 1.02 -1.26 -5.26 120.64 119.62 1l4s n GLU 111 Ca -0.28 -2.57 0.09 0.00 -0.02 0.00 0.00 57.16 54.38 1l4s n GLU 111 Cb 0.99 -3.66 0.07 0.00 -0.02 0.00 0.00 31.44 28.83 1l4s n GLU 111 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40