#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l4s s MET 2 N 0.00 4.76 -0.36 1.09 0.00 -1.26 -4.32 119.30 119.21 1l4s s MET 2 Ca 0.00 1.45 0.04 0.00 0.00 0.00 0.00 55.69 57.17 1l4s s MET 2 Cb 0.00 -3.33 0.10 0.00 0.00 0.00 0.00 34.83 31.61 1l4s s MET 2 CO 0.00 0.37 0.08 -0.80 0.00 0.00 0.00 175.02 174.67 1l4s s ASN 3 N -0.59 4.67 -0.23 -1.18 -0.87 -1.21 -5.06 114.94 110.46 1l4s s ASN 3 Ca 0.44 -2.23 -0.09 0.00 -1.57 0.00 0.00 52.86 49.41 1l4s s ASN 3 Cb -0.24 -1.58 -0.04 0.00 -0.02 0.00 0.00 41.25 39.36 1l4s s ASN 3 CO 0.30 -0.36 0.11 -0.63 -2.57 0.00 0.00 177.10 173.96 1l4s s ILE 4 N 0.80 4.92 0.11 0.60 1.01 -1.26 0.06 121.20 127.44 1l4s s ILE 4 Ca 0.12 0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.82 1l4s s ILE 4 Cb -0.20 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 1l4s s ILE 4 CO -0.08 0.36 -0.08 0.42 0.00 0.00 0.00 174.94 175.56 1l4s s THR 5 N 1.14 0.86 -0.21 2.92 -4.23 0.23 -4.91 115.64 111.45 1l4s s THR 5 Ca 0.06 -1.95 -0.27 0.00 -1.18 0.00 0.00 61.69 58.35 1l4s s THR 5 Cb -0.14 -1.70 0.10 0.00 1.34 0.00 0.00 72.50 72.09 1l4s s THR 5 CO 0.04 -0.81 0.85 -0.94 -0.54 0.00 0.00 174.62 173.23 1l4s s SER 6 N -3.03 -0.58 -0.54 3.99 1.04 -1.26 0.07 113.70 113.39 1l4s s SER 6 Ca 0.13 0.95 0.01 0.00 0.48 0.00 0.00 55.95 57.52 1l4s s SER 6 Cb 0.04 0.90 0.53 0.00 0.10 0.00 0.00 66.02 67.59 1l4s s SER 6 CO -0.03 -0.31 1.89 0.29 0.98 0.00 0.00 173.24 176.06 1l4s n LYS 7 N 1.84 2.54 0.00 4.02 5.02 -1.25 -4.40 118.16 125.94 1l4s n LYS 7 Ca -0.14 -3.26 0.00 0.00 -2.02 0.00 0.00 58.31 52.90 1l4s n LYS 7 Cb 0.56 -2.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 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 -1.00 0.00 -4.58 1.97 6.02 -1.26 -5.08 117.38 113.45 1l4s n GLN 8 Ca 0.58 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 57.30 1l4s n GLN 8 Cb 1.05 -0.11 -0.09 0.00 1.02 0.00 0.00 30.24 32.11 1l4s n GLN 8 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1l4s s MET 9 N -1.76 1.97 0.50 -1.09 -1.94 -1.26 -5.17 119.30 110.54 1l4s s MET 9 Ca 0.00 -2.20 0.09 0.00 -1.71 0.00 0.00 55.69 51.87 1l4s s MET 9 Cb 0.00 -0.98 0.05 0.00 2.01 0.00 0.00 34.83 35.91 1l4s s MET 9 CO 0.00 -0.38 0.68 -1.83 -0.01 0.00 0.00 175.02 173.48 1l4s s GLU 10 N -3.78 2.58 -0.43 2.03 1.03 -1.26 -4.55 118.70 114.31 1l4s s GLU 10 Ca 0.21 -1.41 -0.21 0.00 0.03 0.00 0.00 54.97 53.59 1l4s s GLU 10 Cb 0.04 -2.70 0.02 0.00 -0.80 0.00 0.00 34.13 30.69 1l4s s GLU 10 CO 0.12 -0.56 0.64 0.42 -1.33 0.00 0.00 175.26 174.54 1l4s s ILE 11 N -2.51 4.84 0.10 1.83 -1.09 -1.26 -5.03 121.20 118.08 1l4s s ILE 11 Ca 0.58 0.18 -0.03 0.00 -2.23 0.00 0.00 60.65 59.15 1l4s s ILE 11 Cb -0.08 -4.18 -0.05 0.00 -1.58 0.00 0.00 42.46 36.57 1l4s s ILE 11 CO 0.36 -0.55 0.30 0.42 -1.23 0.00 0.00 174.94 174.24 1l4s s THR 12 N 2.79 5.27 0.66 2.92 -4.23 -1.26 -4.97 115.64 116.82 1l4s s THR 12 Ca 0.23 -0.13 0.35 0.00 -1.18 0.00 0.00 61.69 60.96 1l4s s THR 12 Cb -0.14 -3.62 0.36 0.00 1.34 0.00 0.00 72.50 70.43 1l4s s THR 12 CO 0.18 0.11 2.09 -0.65 -0.54 0.00 0.00 174.62 175.81 1l4s h PRO 13 N 3.03 0.00 0.01 3.99 0.11 -1.97 0.48 132.00 137.65 1l4s h PRO 13 Ca -0.46 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.49 1l4s h PRO 13 Cb 1.17 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.29 1l4s h PRO 13 CO 0.73 0.00 -0.65 0.00 -0.21 0.00 0.00 178.00 177.87 1l4s h ALA 14 N 1.60 0.07 0.00 -0.75 0.00 -1.97 0.22 119.26 118.42 1l4s h ALA 14 Ca 0.01 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 1l4s h ALA 14 Cb 0.44 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1l4s h ALA 14 CO -0.00 0.38 -0.48 0.82 0.00 0.00 0.00 179.25 179.97 1l4s h ILE 15 N -0.08 1.13 0.06 0.00 2.04 -1.46 0.14 117.51 119.34 1l4s h ILE 15 Ca -0.08 -1.79 -0.19 0.00 1.00 0.00 0.00 64.86 63.79 1l4s h ILE 15 Cb 1.37 2.03 0.02 0.00 -0.74 0.00 0.00 36.82 39.50 1l4s h ILE 15 CO 0.13 0.47 -0.77 -0.09 0.00 0.00 0.00 178.15 177.90 1l4s h ARG 16 N 0.00 0.41 -0.49 2.37 2.43 -0.99 -2.61 114.38 115.51 1l4s h ARG 16 Ca -0.00 -0.52 -0.12 0.00 -0.81 0.00 0.00 59.98 58.53 1l4s h ARG 16 Cb 0.99 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1l4s h ARG 16 CO 0.06 1.19 -0.14 0.37 -1.51 0.00 0.00 179.97 179.94 1l4s h GLN 17 N -0.13 0.96 0.71 0.20 4.15 -0.46 0.42 115.11 120.96 1l4s h GLN 17 Ca -0.11 -0.38 -0.03 0.00 0.77 0.00 0.00 58.65 58.89 1l4s h GLN 17 Cb 1.51 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 29.16 1l4s h GLN 17 CO 0.15 1.05 -0.34 1.25 -1.93 0.00 0.00 178.83 179.01 1l4s h HIS 18 N 0.82 -0.88 -0.22 3.99 2.76 -0.80 0.93 115.15 121.75 1l4s h HIS 18 Ca 0.12 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1l4s h HIS 18 Cb 0.71 0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.95 1l4s h HIS 18 CO 0.05 -0.54 0.14 0.28 -1.30 0.00 0.00 177.93 176.56 1l4s h VAL 19 N -1.00 1.07 -1.00 5.26 2.07 -1.48 -2.60 116.25 118.57 1l4s h VAL 19 Ca -0.10 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.29 1l4s h VAL 19 Cb 0.74 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 1l4s h VAL 19 CO 0.16 0.07 0.66 0.00 0.02 0.00 0.00 177.57 178.48 1l4s h ALA 20 N 1.06 1.28 -0.56 1.67 0.00 -0.05 -1.09 119.26 121.57 1l4s h ALA 20 Ca 0.08 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1l4s h ALA 20 Cb -0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 1l4s h ALA 20 CO -0.02 0.63 0.37 0.38 0.00 0.00 0.00 179.25 180.62 1l4s h ASP 21 N 1.33 0.61 1.05 0.00 3.04 0.13 -0.57 116.42 122.01 1l4s h ASP 21 Ca 0.37 -0.01 -0.12 0.00 -3.24 0.00 0.00 57.03 54.03 1l4s h ASP 21 Cb -0.12 -0.15 -0.02 0.00 -1.04 0.00 0.00 39.33 38.00 1l4s h ASP 21 CO -0.09 0.43 -0.59 0.03 -2.04 0.00 0.00 179.24 176.98 1l4s h ARG 22 N 0.72 0.00 0.42 4.15 2.47 -0.97 -2.89 114.38 118.27 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 -0.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 1l4s h ARG 22 CO -0.05 0.59 -0.20 -0.07 0.56 0.00 0.00 179.97 180.80 1l4s h LEU 23 N 0.00 -0.47 -2.66 3.04 3.38 0.09 -1.77 115.31 116.92 1l4s h LEU 23 Ca -0.01 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1l4s h LEU 23 Cb 1.28 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 1l4s h LEU 23 CO 0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 178.44 178.48 1l4s h ALA 24 N -0.49 1.14 0.00 1.53 0.00 -1.46 -0.70 119.26 119.29 1l4s h ALA 24 Ca -0.06 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1l4s h ALA 24 Cb 0.56 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1l4s h ALA 24 CO 0.09 0.01 -0.89 -0.22 0.00 0.00 0.00 179.25 178.24 1l4s h LYS 25 N 0.00 0.00 -3.20 0.00 3.11 -1.28 -3.36 116.57 111.84 1l4s h LYS 25 Ca -0.00 0.00 -0.62 0.00 -2.81 0.00 0.00 60.65 57.22 1l4s h LYS 25 Cb 0.07 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 31.32 1l4s h LYS 25 CO 0.00 0.89 3.55 1.28 -2.81 0.00 0.00 179.45 182.37 1l4s n LEU 26 N -3.37 7.86 0.14 5.20 4.77 -0.27 -4.66 117.00 126.66 1l4s n LEU 26 Ca 0.00 -4.07 -0.14 0.00 -0.03 0.00 0.00 56.01 51.78 1l4s n LEU 26 Cb 0.88 -1.48 -0.08 0.00 -2.33 0.00 0.00 43.42 40.41 1l4s n LEU 26 CO 0.46 1.69 0.79 -0.08 -1.33 0.00 0.00 177.39 178.92 1l4s h GLU 27 N 5.38 -0.27 -0.97 3.23 4.81 -1.77 -2.60 114.58 122.38 1l4s h GLU 27 Ca 0.78 0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.89 1l4s h GLU 27 Cb 0.30 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.66 1l4s h GLU 27 CO 1.74 -0.17 0.17 0.36 -0.73 0.00 0.00 179.01 180.39 1l4s n LYS 28 N -5.20 1.57 -3.82 1.92 2.85 -1.26 -4.80 118.16 109.42 1l4s n LYS 28 Ca -0.09 -0.98 -0.09 0.00 -1.05 0.00 0.00 58.31 56.09 1l4s n LYS 28 Cb 0.14 -1.45 -0.06 0.00 -0.65 0.00 0.00 35.03 33.01 1l4s n LYS 28 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1l4s s TRP 29 N -1.17 0.11 -1.81 5.58 0.52 -0.98 -4.88 118.94 116.32 1l4s s TRP 29 Ca 0.18 -0.49 0.00 0.00 0.02 0.00 0.00 56.10 55.82 1l4s s TRP 29 Cb 0.15 0.06 0.00 0.00 -1.15 0.00 0.00 33.47 32.54 1l4s s TRP 29 CO 0.04 -0.67 0.00 1.04 0.02 0.00 0.00 176.95 177.38 1l4s n GLN 30 N -0.17 -1.52 0.17 4.98 3.00 -1.26 -4.85 117.38 117.72 1l4s n GLN 30 Ca -0.13 1.03 0.06 0.00 -0.01 0.00 0.00 57.00 57.95 1l4s n GLN 30 Cb 0.63 -5.55 0.08 0.00 0.00 0.00 0.00 30.24 25.40 1l4s n GLN 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1l4s h THR 31 N 0.00 0.54 -2.16 5.09 1.03 -1.88 -3.37 112.91 112.16 1l4s h THR 31 Ca -0.45 -1.76 -0.59 0.00 -0.01 0.00 0.00 66.41 63.60 1l4s h THR 31 Cb 1.33 2.26 -0.42 0.00 -1.07 0.00 0.00 68.15 70.26 1l4s h THR 31 CO 0.57 0.30 -0.68 0.00 -0.01 0.00 0.00 175.52 175.70 1l4s n HIS 32 N -3.18 3.03 -4.25 0.00 1.44 -1.26 -5.06 115.22 105.94 1l4s n HIS 32 Ca 0.03 -4.06 -0.18 0.00 -2.01 0.00 0.00 57.72 51.50 1l4s n HIS 32 Cb 0.66 -0.52 -0.11 0.00 0.12 0.00 0.00 29.99 30.13 1l4s n HIS 32 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1l4s s LEU 33 N -2.33 2.41 -0.29 2.39 1.43 -1.26 -4.26 118.68 116.77 1l4s s LEU 33 Ca 0.40 -0.82 -0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1l4s s LEU 33 Cb 0.16 -0.57 0.10 0.00 0.03 0.00 0.00 46.19 45.91 1l4s s LEU 33 CO -0.03 -0.14 0.13 -0.63 0.23 0.00 0.00 176.35 175.91 1l4s s ILE 34 N -2.15 -0.01 -0.62 -0.59 1.09 -0.70 -4.95 121.20 113.27 1l4s s ILE 34 Ca 0.09 -0.80 -0.03 0.00 -1.10 0.00 0.00 60.65 58.82 1l4s s ILE 34 Cb -0.05 -1.02 0.00 0.00 -1.06 0.00 0.00 42.46 40.33 1l4s s ILE 34 CO 0.03 -0.72 0.62 0.59 -0.10 0.00 0.00 174.94 175.36 1l4s n ASN 35 N 5.22 -7.31 -4.80 3.58 3.02 -1.26 -4.48 115.26 109.23 1l4s n ASN 35 Ca -0.06 0.03 -0.33 0.00 -0.03 0.00 0.00 54.58 54.19 1l4s n ASN 35 Cb 0.42 -4.94 -0.02 0.00 -0.61 0.00 0.00 39.78 34.63 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 -2.91 3.67 -0.03 3.52 0.04 -1.26 -4.76 135.00 133.27 1l4s s PRO 36 Ca 0.04 1.28 -0.00 0.00 0.04 0.00 0.00 61.00 62.36 1l4s s PRO 36 Cb -0.01 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.48 1l4s s PRO 36 CO 0.69 -0.53 0.02 -1.58 0.04 0.00 0.00 177.00 175.64 1l4s s HIS 37 N -2.17 0.22 -0.06 0.56 2.46 -1.06 -3.34 115.29 111.90 1l4s s HIS 37 Ca 0.65 0.08 0.05 0.00 0.47 0.00 0.00 55.06 56.32 1l4s s HIS 37 Cb -0.16 -0.42 -0.01 0.00 -0.13 0.00 0.00 32.58 31.86 1l4s s HIS 37 CO 0.26 -0.15 -0.23 0.42 -2.47 0.00 0.00 174.74 172.56 1l4s s ILE 38 N 1.40 2.25 0.07 0.89 1.09 0.11 -1.63 121.20 125.38 1l4s s ILE 38 Ca -0.05 -1.00 0.08 0.00 -1.10 0.00 0.00 60.65 58.59 1l4s s ILE 38 Cb -0.13 -1.83 -0.04 0.00 -1.06 0.00 0.00 42.46 39.41 1l4s s ILE 38 CO -0.03 0.57 -0.19 -0.63 -0.10 0.00 0.00 174.94 174.56 1l4s s ILE 39 N -0.22 2.73 -0.11 2.92 1.01 0.18 -0.60 121.20 127.12 1l4s s ILE 39 Ca -0.02 -1.35 0.03 0.00 0.00 0.00 0.00 60.65 59.31 1l4s s ILE 39 Cb -0.13 -2.18 0.01 0.00 0.01 0.00 0.00 42.46 40.16 1l4s s ILE 39 CO 0.03 0.24 -0.20 -0.76 0.00 0.00 0.00 174.94 174.25 1l4s s LEU 40 N -1.71 1.98 0.00 2.97 1.43 0.11 -0.59 118.68 122.87 1l4s s LEU 40 Ca 0.16 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1l4s s LEU 40 Cb -0.10 -1.30 -0.00 0.00 0.03 0.00 0.00 46.19 44.81 1l4s s LEU 40 CO 0.07 0.09 0.01 -1.20 0.23 0.00 0.00 176.35 175.55 1l4s n SER 41 N 3.89 1.84 -3.63 2.29 7.64 0.14 -3.74 113.62 122.05 1l4s n SER 41 Ca -0.20 -1.56 -0.13 0.00 1.01 0.00 0.00 58.87 58.00 1l4s n SER 41 Cb 0.52 0.16 -0.07 0.00 -1.01 0.00 0.00 64.21 63.81 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 -2.44 0.77 0.13 1.43 2.20 -1.26 -2.27 119.74 118.30 1l4s s LYS 42 Ca 0.02 0.93 0.05 0.00 -0.36 0.00 0.00 55.97 56.61 1l4s s LYS 42 Cb 0.00 0.37 -0.04 0.00 -1.51 0.00 0.00 37.83 36.65 1l4s s LYS 42 CO 0.01 -0.09 -0.12 -1.21 -0.36 0.00 0.00 175.35 173.58 1l4s s GLU 43 N 0.41 1.03 0.61 4.03 2.02 0.26 -4.93 118.70 122.13 1l4s s GLU 43 Ca 0.00 -1.34 0.28 0.00 0.02 0.00 0.00 54.97 53.93 1l4s s GLU 43 Cb -0.05 -0.73 1.44 0.00 0.10 0.00 0.00 34.13 34.89 1l4s s GLU 43 CO -0.01 0.11 1.84 -1.35 0.02 0.00 0.00 175.26 175.87 1l4s h PRO 44 N 3.13 0.00 -0.01 0.39 0.11 -2.02 0.56 132.00 134.16 1l4s h PRO 44 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 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 0.58 0.00 -0.28 0.94 -0.21 0.00 0.00 178.00 179.03 1l4s n GLN 45 N -3.50 0.63 -1.77 1.05 7.27 -1.26 -5.04 117.38 114.75 1l4s n GLN 45 Ca 0.07 -0.35 0.00 0.00 0.07 0.00 0.00 57.00 56.79 1l4s n GLN 45 Cb 0.68 -1.49 0.00 0.00 2.41 0.00 0.00 30.24 31.83 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 3.68 1.69 0.00 0.19 -4.64 105.19 107.78 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 -2.95 2.88 -0.01 1.61 0.40 -0.91 0.91 117.98 119.91 1l4s s PHE 47 Ca 0.00 -0.12 0.05 0.00 -0.60 0.00 0.00 56.93 56.26 1l4s s PHE 47 Cb 0.00 -1.39 -0.01 0.00 0.51 0.00 0.00 43.02 42.12 1l4s s PHE 47 CO 0.00 0.52 -0.17 0.08 0.70 0.00 0.00 175.22 176.35 1l4s s VAL 48 N -1.74 1.31 -0.09 -0.44 1.01 -0.96 -2.90 120.40 116.58 1l4s s VAL 48 Ca 0.28 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1l4s s VAL 48 Cb -0.09 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1l4s s VAL 48 CO 0.19 0.37 -0.06 0.00 0.00 0.00 0.00 175.10 175.60 1l4s s ALA 49 N -0.39 1.09 0.12 5.51 0.00 0.35 0.26 121.76 128.70 1l4s s ALA 49 Ca 0.06 -0.37 0.11 0.00 0.00 0.00 0.00 51.96 51.76 1l4s s ALA 49 Cb -0.06 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 1l4s s ALA 49 CO -0.01 -0.32 -0.27 -0.51 0.00 0.00 0.00 175.76 174.65 1l4s s ASP 50 N 1.57 3.26 -0.09 0.00 1.01 0.25 -0.47 116.67 122.20 1l4s s ASP 50 Ca 0.01 -0.73 -0.08 0.00 0.71 0.00 0.00 52.55 52.46 1l4s s ASP 50 Cb -0.13 -0.22 0.02 0.00 1.01 0.00 0.00 42.92 43.60 1l4s s ASP 50 CO -0.05 0.18 0.24 0.00 0.21 0.00 0.00 175.17 175.75 1l4s s ALA 51 N -1.03 -0.58 -0.04 5.23 0.00 -0.52 0.52 121.76 125.34 1l4s s ALA 51 Ca 0.13 0.66 0.01 0.00 0.00 0.00 0.00 51.96 52.77 1l4s s ALA 51 Cb -0.10 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.65 1l4s s ALA 51 CO 0.05 -0.11 -0.05 0.99 0.00 0.00 0.00 175.76 176.64 1l4s s THR 52 N 0.12 0.55 -0.02 0.00 2.01 -0.65 -2.34 115.64 115.30 1l4s s THR 52 Ca -0.00 -0.17 0.03 0.00 0.31 0.00 0.00 61.69 61.86 1l4s s THR 52 Cb -0.02 -0.55 0.00 0.00 0.01 0.00 0.00 72.50 71.95 1l4s s THR 52 CO 0.00 0.21 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.42 1l4s s ILE 53 N 0.68 0.78 -0.27 1.82 1.01 -0.97 -2.56 121.20 121.69 1l4s s ILE 53 Ca -0.09 -0.37 -0.10 0.00 0.00 0.00 0.00 60.65 60.09 1l4s s ILE 53 Cb -0.12 -0.69 -0.05 0.00 0.01 0.00 0.00 42.46 41.61 1l4s s ILE 53 CO 0.00 0.24 0.17 0.20 0.00 0.00 0.00 174.94 175.55 1l4s s ASN 54 N 0.15 5.89 0.46 3.58 -0.87 -1.26 -2.16 114.94 120.73 1l4s s ASN 54 Ca -0.02 -0.02 0.06 0.00 -1.57 0.00 0.00 52.86 51.30 1l4s s ASN 54 Cb -0.08 -2.09 -0.02 0.00 -0.02 0.00 0.00 41.25 39.04 1l4s s ASN 54 CO 0.00 -0.03 0.22 0.42 -2.57 0.00 0.00 177.10 175.14 1l4s s THR 55 N 1.63 1.99 -2.29 1.60 -4.23 -0.76 -1.72 115.64 111.86 1l4s s THR 55 Ca 0.07 -1.67 0.26 0.00 -1.18 0.00 0.00 61.69 59.16 1l4s s THR 55 Cb -0.16 -2.66 0.59 0.00 1.34 0.00 0.00 72.50 71.61 1l4s s THR 55 CO 0.09 0.00 1.77 -0.81 -0.54 0.00 0.00 174.62 175.13 1l4s n PRO 56 N -1.39 1.49 -0.40 3.99 -0.04 -1.26 -3.72 135.00 133.68 1l4s n PRO 56 Ca -0.04 -0.72 0.04 0.00 -0.04 0.00 0.00 63.50 62.75 1l4s n PRO 56 Cb 0.65 -1.44 0.06 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.11 1.02 0.00 3.54 4.13 -1.26 -5.12 115.26 117.46 1l4s n ASN 57 Ca 0.19 -2.49 0.00 0.00 1.68 0.00 0.00 54.58 53.95 1l4s n ASN 57 Cb 0.27 -0.31 0.00 0.00 -1.54 0.00 0.00 39.78 38.20 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 -0.57 0.99 3.16 7.41 0.00 -1.24 -5.11 105.19 109.83 1l4s n GLY 58 Ca 0.07 -1.90 -0.22 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.24 1.23 0.04 1.61 1.01 -1.26 -1.83 120.40 118.96 1l4s s VAL 59 Ca 0.00 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.12 1l4s s VAL 59 Cb 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1l4s s VAL 59 CO 0.00 0.12 -0.23 -0.76 0.00 0.00 0.00 175.10 174.24 1l4s s LEU 60 N -0.94 2.35 0.01 3.92 1.43 -0.92 -5.01 118.68 119.51 1l4s s LEU 60 Ca 0.04 -0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1l4s s LEU 60 Cb -0.07 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.75 1l4s s LEU 60 CO 0.01 0.26 -0.00 -0.69 0.23 0.00 0.00 176.35 176.16 1l4s s VAL 61 N -0.84 0.05 -0.03 -1.59 1.01 -1.26 -2.30 120.40 115.44 1l4s s VAL 61 Ca 0.13 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.48 1l4s s VAL 61 Cb -0.10 -0.14 0.04 0.00 0.00 0.00 0.00 36.38 36.18 1l4s s VAL 61 CO 0.03 -0.23 0.45 0.00 0.00 0.00 0.00 175.10 175.35 1l4s s ALA 62 N -0.68 -1.14 0.08 5.51 0.00 -0.99 -4.84 121.76 119.69 1l4s s ALA 62 Ca -0.07 0.70 -0.07 0.00 0.00 0.00 0.00 51.96 52.52 1l4s s ALA 62 Cb -0.05 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 1l4s s ALA 62 CO -0.00 -0.30 0.13 -1.54 0.00 0.00 0.00 175.76 174.05 1l4s s SER 63 N -1.24 0.22 -0.25 0.00 1.04 -1.26 -1.44 113.70 110.76 1l4s s SER 63 Ca -0.12 -0.74 -0.02 0.00 0.48 0.00 0.00 55.95 55.55 1l4s s SER 63 Cb -0.03 0.30 0.14 0.00 0.10 0.00 0.00 66.02 66.53 1l4s s SER 63 CO 0.06 -0.69 0.37 -0.83 0.98 0.00 0.00 173.24 173.13 1l4s s GLY 64 N -2.87 -0.41 -0.64 7.32 0.00 0.39 -4.26 107.32 106.85 1l4s s GLY 64 Ca 0.05 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.44 1l4s s GLY 64 CO -0.11 2.72 1.81 1.17 0.00 0.00 0.00 173.10 178.69 1l4s n LYS 65 N 5.36 2.93 -2.15 2.90 4.81 -1.26 -0.50 118.16 130.25 1l4s n LYS 65 Ca -0.03 -3.62 -0.32 0.00 -0.87 0.00 0.00 58.31 53.47 1l4s n LYS 65 Cb 0.50 -2.28 -0.01 0.00 0.02 0.00 0.00 35.03 33.26 1l4s n LYS 65 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1l4s s HIS 66 N -3.84 3.27 0.53 5.64 2.46 -1.14 -4.73 115.29 117.48 1l4s s HIS 66 Ca 0.57 1.46 0.24 0.00 0.47 0.00 0.00 55.06 57.81 1l4s s HIS 66 Cb 0.46 -2.87 1.54 0.00 -0.13 0.00 0.00 32.58 31.58 1l4s s HIS 66 CO -0.14 -0.75 2.18 1.05 -2.47 0.00 0.00 174.74 174.61 1l4s h GLU 67 N 0.49 0.00 -4.94 2.88 4.11 -1.82 -2.41 114.58 112.88 1l4s h GLU 67 Ca -0.46 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.32 1l4s h GLU 67 Cb 1.20 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.28 1l4s h GLU 67 CO 0.60 0.04 -0.42 0.34 0.07 0.00 0.00 179.01 179.63 1l4s s ASP 68 N -6.48 6.10 0.25 3.06 2.15 -1.26 -3.86 116.67 116.63 1l4s s ASP 68 Ca -0.05 -0.01 -0.04 0.00 0.43 0.00 0.00 52.55 52.89 1l4s s ASP 68 Cb 0.15 -2.15 0.51 0.00 -0.30 0.00 0.00 42.92 41.13 1l4s s ASP 68 CO 0.60 -0.13 1.67 -0.03 -0.17 0.00 0.00 175.17 177.11 1l4s h MET 69 N 8.35 0.23 -0.53 4.34 1.85 -1.89 0.18 114.93 127.46 1l4s h MET 69 Ca -0.33 -0.01 -0.09 0.00 -0.61 0.00 0.00 59.70 58.65 1l4s h MET 69 Cb 1.17 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 33.14 1l4s h MET 69 CO 0.60 0.15 -0.03 1.88 -0.40 0.00 0.00 176.91 179.11 1l4s h TYR 70 N 0.23 1.06 -0.56 1.39 0.05 -1.94 -2.52 116.97 114.68 1l4s h TYR 70 Ca 0.44 -0.19 -0.08 0.00 0.05 0.00 0.00 58.73 58.95 1l4s h TYR 70 Cb 0.80 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 1l4s h TYR 70 CO -0.29 0.97 0.04 1.15 -1.05 0.00 0.00 178.16 178.99 1l4s h THR 71 N 0.84 1.25 0.07 -2.88 2.02 -1.40 -1.02 112.91 111.78 1l4s h THR 71 Ca 0.15 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.29 1l4s h THR 71 Cb 0.57 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1l4s h THR 71 CO 0.03 0.37 -0.04 0.00 0.37 0.00 0.00 175.52 176.26 1l4s h ALA 72 N 1.17 -0.10 -0.65 6.16 0.00 -0.58 0.47 119.26 125.73 1l4s h ALA 72 Ca 0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1l4s h ALA 72 Cb 0.46 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1l4s h ALA 72 CO 0.02 -0.50 0.33 0.82 0.00 0.00 0.00 179.25 179.92 1l4s h ILE 73 N -0.21 1.21 -0.62 0.00 2.04 -1.37 0.25 117.51 118.81 1l4s h ILE 73 Ca -0.01 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 1l4s h ILE 73 Cb 0.18 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1l4s h ILE 73 CO 0.02 0.24 0.20 -1.13 0.00 0.00 0.00 178.15 177.48 1l4s h ASN 74 N 0.89 0.89 -0.55 1.72 -1.24 -1.01 -2.53 115.58 113.76 1l4s h ASN 74 Ca 0.23 -0.20 -0.08 0.00 0.71 0.00 0.00 56.30 56.95 1l4s h ASN 74 Cb 0.08 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.88 1l4s h ASN 74 CO -0.03 0.86 0.03 -0.33 -1.29 0.00 0.00 177.43 176.66 1l4s h GLU 75 N 0.88 0.95 0.25 6.67 4.39 0.41 -1.89 114.58 126.24 1l4s h GLU 75 Ca 0.20 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1l4s h GLU 75 Cb 0.28 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1l4s h GLU 75 CO -0.01 0.94 -0.37 1.25 -1.16 0.00 0.00 179.01 179.67 1l4s h LEU 76 N 0.83 -1.06 -2.06 1.33 6.46 -0.26 0.03 115.31 120.59 1l4s h LEU 76 Ca 0.16 0.10 0.11 0.00 -0.12 0.00 0.00 57.88 58.12 1l4s h LEU 76 Cb 0.50 0.37 -0.02 0.00 -0.73 0.00 0.00 40.66 40.78 1l4s h LEU 76 CO 0.02 -0.45 0.35 0.40 -0.62 0.00 0.00 178.44 178.14 1l4s h ILE 77 N -0.65 0.53 -1.01 4.05 2.04 -1.47 0.40 117.51 121.40 1l4s h ILE 77 Ca -0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.86 1l4s h ILE 77 Cb 0.60 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 1l4s h ILE 77 CO -0.11 0.00 0.66 -1.13 0.00 0.00 0.00 178.15 177.57 1l4s h ASN 78 N 0.00 1.12 0.55 1.72 -1.24 -0.16 0.40 115.58 117.97 1l4s h ASN 78 Ca 0.18 -0.02 -0.13 0.00 0.71 0.00 0.00 56.30 57.04 1l4s h ASN 78 Cb 0.87 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.64 1l4s h ASN 78 CO -0.00 0.77 -0.61 0.11 -1.29 0.00 0.00 177.43 176.42 1l4s h LYS 79 N 1.30 0.05 -0.26 6.67 6.56 0.59 -0.16 116.57 131.32 1l4s h LYS 79 Ca 0.39 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.93 1l4s h LYS 79 Cb -0.04 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.62 1l4s h LYS 79 CO -0.11 0.64 0.09 -0.07 -2.06 0.00 0.00 179.45 177.94 1l4s h LEU 80 N 0.04 0.37 0.20 2.94 3.38 -0.47 0.47 115.31 122.24 1l4s h LEU 80 Ca -0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1l4s h LEU 80 Cb 1.08 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1l4s h LEU 80 CO 0.08 0.46 -0.10 -0.08 0.09 0.00 0.00 178.44 178.89 1l4s h GLU 81 N 0.27 -0.26 0.00 1.13 4.81 -0.80 -0.97 114.58 118.75 1l4s h GLU 81 Ca 0.09 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1l4s h GLU 81 Cb 0.21 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 1l4s h GLU 81 CO -0.00 -0.17 -0.11 0.00 -0.73 0.00 0.00 179.01 178.00 1l4s h ARG 82 N -0.27 0.00 -0.02 1.92 3.08 -0.84 -2.17 114.38 116.08 1l4s h ARG 82 Ca -0.03 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1l4s h ARG 82 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1l4s h ARG 82 CO 0.04 0.11 -0.22 1.96 -1.07 0.00 0.00 179.97 180.79 1l4s h GLN 83 N 0.00 0.18 0.00 0.04 4.20 0.51 -3.20 115.11 116.84 1l4s h GLN 83 Ca -0.00 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.51 1l4s h GLN 83 Cb 0.28 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 1l4s h GLN 83 CO 0.01 0.87 -0.12 -0.07 -0.67 0.00 0.00 178.83 178.85 1l4s h LEU 84 N -0.45 0.00 -1.37 1.46 3.38 -0.95 -2.07 115.31 115.32 1l4s h LEU 84 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1l4s h LEU 84 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1l4s h LEU 84 CO 0.04 0.12 -0.02 -1.13 0.09 0.00 0.00 178.44 177.55 1l4s h ASN 85 N 0.00 0.36 0.52 -0.43 -1.24 -1.39 -1.92 115.58 111.48 1l4s h ASN 85 Ca -0.00 -0.06 -0.16 0.00 0.71 0.00 0.00 56.30 56.79 1l4s h ASN 85 Cb 0.32 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 1l4s h ASN 85 CO 0.02 0.44 -0.70 0.07 -1.29 0.00 0.00 177.43 175.97 1l4s h LYS 86 N 0.38 0.15 0.00 6.67 2.10 -1.42 -2.79 116.57 121.66 1l4s h LYS 86 Ca 0.08 -0.13 -0.07 0.00 -2.00 0.00 0.00 60.65 58.54 1l4s h LYS 86 Cb 0.29 0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.63 1l4s h LYS 86 CO 0.01 0.79 -0.35 1.25 -2.00 0.00 0.00 179.45 179.15 1l4s h LEU 87 N 0.10 0.00 0.07 7.07 6.46 -1.31 -2.91 115.31 124.80 1l4s h LEU 87 Ca -0.02 0.00 -0.25 0.00 -0.12 0.00 0.00 57.88 57.49 1l4s h LEU 87 Cb 1.24 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.15 1l4s h LEU 87 CO 0.10 0.35 -1.20 1.56 -0.62 0.00 0.00 178.44 178.62 1l4s h GLN 88 N 0.00 0.16 0.00 1.25 4.20 -1.34 -3.46 115.11 115.92 1l4s h GLN 88 Ca -0.00 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1l4s h GLN 88 Cb 0.70 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.58 1l4s h GLN 88 CO 0.04 1.10 0.00 -2.39 -0.67 0.00 0.00 178.83 176.91 1l4s n HIS 89 N -3.43 0.00 -1.23 2.96 -0.00 -1.07 -4.85 115.22 107.60 1l4s n HIS 89 Ca -0.07 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.69 1l4s n HIS 89 Cb 1.00 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.98 1l4s n HIS 89 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1l4s n LYS 90 N 0.00 -0.52 0.00 -1.40 4.76 -1.26 -5.02 118.16 114.71 1l4s n LYS 90 Ca 0.00 0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.79 1l4s n LYS 90 Cb 0.00 -0.64 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 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 -0.91 -1.45 2.19 0.72 0.00 -1.26 -5.15 105.19 99.33 1l4s n GLY 91 Ca 0.00 0.49 -0.19 0.00 0.00 0.00 0.00 46.02 46.33 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 1.21 -3.63 1.61 -0.58 -1.26 -5.17 120.64 112.82 1l4s n GLU 92 Ca 0.00 -2.18 -0.12 0.00 -0.42 0.00 0.00 57.16 54.44 1l4s n GLU 92 Cb 0.00 0.52 -0.05 0.00 -0.57 0.00 0.00 31.44 31.34 1l4s n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1l4s s ALA 93 N -2.51 -1.02 0.11 0.62 0.00 -1.26 -5.14 121.76 112.56 1l4s s ALA 93 Ca 0.04 0.17 -0.26 0.00 0.00 0.00 0.00 51.96 51.91 1l4s s ALA 93 Cb -0.00 0.54 -0.07 0.00 0.00 0.00 0.00 23.12 23.59 1l4s s ALA 93 CO 0.02 -0.56 0.80 1.03 0.00 0.00 0.00 175.76 177.04 1l4s s ARG 94 N -3.17 4.56 -1.51 0.00 1.81 -1.26 -3.77 118.95 115.60 1l4s s ARG 94 Ca -0.01 1.16 -0.06 0.00 -1.72 0.00 0.00 55.73 55.10 1l4s s ARG 94 Cb 0.01 -3.32 0.01 0.00 -0.45 0.00 0.00 34.95 31.19 1l4s s ARG 94 CO -0.07 0.40 0.77 -2.13 -0.68 0.00 0.00 175.30 173.59 1l4s n ARG 95 N 2.26 -5.74 -3.28 3.54 0.63 -1.26 -4.96 116.66 107.85 1l4s n ARG 95 Ca -0.03 0.89 -0.39 0.00 -0.92 0.00 0.00 57.85 57.40 1l4s n ARG 95 Cb 0.49 -5.81 -0.07 0.00 0.45 0.00 0.00 32.46 27.52 1l4s n ARG 95 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1l4s s ALA 96 N -3.22 3.55 0.17 5.13 0.00 -1.25 -4.87 121.76 121.27 1l4s s ALA 96 Ca 0.38 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1l4s s ALA 96 Cb -0.17 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.18 1l4s s ALA 96 CO 0.47 -0.44 0.00 0.00 0.00 0.00 0.00 175.76 175.79 1l4s n ALA 97 N 4.79 3.00 0.09 0.00 0.00 -1.26 -5.05 120.51 122.09 1l4s n ALA 97 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1l4s n ALA 97 Cb 0.50 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1l4s n ALA 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1l4s n THR 98 N -3.10 0.45 -3.92 0.00 -1.04 -1.26 -5.07 114.28 100.33 1l4s n THR 98 Ca 0.00 0.15 -0.27 0.00 -2.04 0.00 0.00 64.05 61.89 1l4s n THR 98 Cb 0.01 -0.96 -0.17 0.00 -1.82 0.00 0.00 70.33 67.40 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 -5.36 2.30 -0.03 8.00 0.01 -1.26 -4.97 113.70 112.38 1l4s s SER 99 Ca 0.00 -0.35 0.14 0.00 1.31 0.00 0.00 55.95 57.04 1l4s s SER 99 Cb 0.00 -0.90 0.24 0.00 0.21 0.00 0.00 66.02 65.57 1l4s s SER 99 CO 0.00 -0.11 1.11 1.33 0.41 0.00 0.00 173.24 175.98 1l4s n VAL 100 N 4.91 0.07 -3.45 3.43 0.24 -1.26 -5.02 118.33 117.25 1l4s n VAL 100 Ca -0.13 -0.66 -0.38 0.00 -2.04 0.00 0.00 64.34 61.13 1l4s n VAL 100 Cb 0.50 0.79 -0.06 0.00 -1.47 0.00 0.00 33.84 33.60 1l4s n VAL 100 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1l4s s LYS 101 N -0.20 3.98 0.85 7.34 2.20 -1.26 -5.08 119.74 127.58 1l4s s LYS 101 Ca 0.17 0.49 -0.12 0.00 -0.36 0.00 0.00 55.97 56.15 1l4s s LYS 101 Cb 0.22 -3.22 0.10 0.00 -1.51 0.00 0.00 37.83 33.42 1l4s s LYS 101 CO -0.08 0.68 1.12 0.16 -0.36 0.00 0.00 175.35 176.86 1l4s s ASP 102 N -1.10 4.00 0.34 1.43 -4.77 -1.26 -5.09 116.67 110.22 1l4s s ASP 102 Ca 0.25 1.14 0.03 0.00 -3.30 0.00 0.00 52.55 50.68 1l4s s ASP 102 Cb -0.17 -1.80 -0.05 0.00 -1.09 0.00 0.00 42.92 39.81 1l4s s ASP 102 CO 0.15 -2.26 0.09 0.00 0.70 0.00 0.00 175.17 173.85 1l4s s ALA 103 N -3.21 2.42 0.52 2.11 0.00 -1.26 -5.13 121.76 117.21 1l4s s ALA 103 Ca 0.62 -1.73 -0.23 0.00 0.00 0.00 0.00 51.96 50.63 1l4s s ALA 103 Cb -0.15 0.79 -0.06 0.00 0.00 0.00 0.00 23.12 23.70 1l4s s ALA 103 CO 0.54 -0.36 1.39 1.21 0.00 0.00 0.00 175.76 178.54 1l4s s ASN 104 N -3.49 5.44 0.31 0.00 3.84 -1.26 -4.98 114.94 114.81 1l4s s ASN 104 Ca 0.32 2.84 -0.21 0.00 0.21 0.00 0.00 52.86 56.02 1l4s s ASN 104 Cb 0.06 -2.64 -0.09 0.00 -0.55 0.00 0.00 41.25 38.03 1l4s s ASN 104 CO 0.15 -1.46 0.84 -0.36 -2.79 0.00 0.00 177.10 173.48 1l4s s PHE 105 N -1.26 3.54 -0.25 0.43 0.08 -1.26 -5.00 117.98 114.26 1l4s s PHE 105 Ca 0.68 1.52 -0.08 0.00 0.12 0.00 0.00 56.93 59.16 1l4s s PHE 105 Cb -0.42 -2.74 -0.16 0.00 -0.57 0.00 0.00 43.02 39.13 1l4s s PHE 105 CO 0.51 0.16 -0.19 0.28 -0.10 0.00 0.00 175.22 175.88 1l4s n VAL 106 N 0.19 1.54 0.25 -0.44 0.31 -1.26 -4.52 118.33 114.40 1l4s n VAL 106 Ca 0.02 -0.44 0.11 0.00 -0.01 0.00 0.00 64.34 64.02 1l4s n VAL 106 Cb 0.52 -1.72 -0.01 0.00 -0.91 0.00 0.00 33.84 31.72 1l4s n VAL 106 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1l4s n GLU 107 N -3.85 0.50 -2.72 5.55 4.71 -1.26 -4.97 120.64 118.61 1l4s n GLU 107 Ca -0.48 0.03 -0.17 0.00 -0.01 0.00 0.00 57.16 56.54 1l4s n GLU 107 Cb 0.92 -1.70 0.02 0.00 -1.01 0.00 0.00 31.44 29.66 1l4s n GLU 107 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1l4s n GLU 108 N -2.37 -3.19 -3.47 3.49 1.02 -1.26 -4.98 120.64 109.87 1l4s n GLU 108 Ca 0.00 0.70 -0.40 0.00 -0.02 0.00 0.00 57.16 57.45 1l4s n GLU 108 Cb 0.51 -5.09 -0.10 0.00 -0.02 0.00 0.00 31.44 26.74 1l4s n GLU 108 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1l4s s VAL 109 N -2.97 5.23 0.49 2.62 -7.23 -1.26 -4.96 120.40 112.32 1l4s s VAL 109 Ca 0.18 0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 1l4s s VAL 109 Cb -0.08 -3.70 0.00 0.00 0.56 0.00 0.00 36.38 33.16 1l4s s VAL 109 CO 0.22 0.07 0.00 1.21 -0.31 0.00 0.00 175.10 176.30 1l4s n GLU 110 N 5.24 -3.01 -0.08 4.82 2.13 -1.26 -4.76 120.64 123.71 1l4s n GLU 110 Ca -0.11 2.30 -0.11 0.00 0.66 0.00 0.00 57.16 59.90 1l4s n GLU 110 Cb 0.50 -3.58 -0.15 0.00 0.27 0.00 0.00 31.44 28.49 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 -4.22 0.68 0.00 5.31 0.28 -1.26 -5.12 120.64 116.30 1l4s n GLU 111 Ca -0.05 0.08 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1l4s n GLU 111 Cb 0.64 -1.58 0.01 0.00 1.43 0.00 0.00 31.44 31.94 1l4s n GLU 111 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06