#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 2.66 -3.82 -0.78 0.00 -1.26 -4.52 117.12 109.39 1l4s n MET 2 Ca 0.00 0.94 -0.30 0.00 0.00 0.00 0.00 57.70 58.34 1l4s n MET 2 Cb 0.00 -2.70 -0.15 0.00 0.00 0.00 0.00 33.22 30.37 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 0.29 4.23 -0.17 6.12 3.84 -1.13 -5.05 114.94 123.06 1l4s s ASN 3 Ca 0.61 -1.92 -0.06 0.00 0.21 0.00 0.00 52.86 51.70 1l4s s ASN 3 Cb -0.50 -1.13 -0.04 0.00 -0.55 0.00 0.00 41.25 39.04 1l4s s ASN 3 CO 0.53 -0.39 0.04 0.27 -2.79 0.00 0.00 177.10 174.76 1l4s s ILE 4 N 1.24 4.56 0.27 -5.21 -4.36 -1.26 -0.61 121.20 115.83 1l4s s ILE 4 Ca 0.11 -0.12 0.02 0.00 -0.26 0.00 0.00 60.65 60.40 1l4s s ILE 4 Cb -0.19 -3.04 -0.05 0.00 1.25 0.00 0.00 42.46 40.43 1l4s s ILE 4 CO -0.17 0.47 0.09 0.42 0.24 0.00 0.00 174.94 175.99 1l4s s THR 5 N 0.36 0.71 -0.28 8.37 -4.23 0.17 -4.95 115.64 115.79 1l4s s THR 5 Ca 0.01 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.30 1l4s s THR 5 Cb -0.13 -2.67 0.09 0.00 1.34 0.00 0.00 72.50 71.13 1l4s s THR 5 CO 0.01 -0.01 0.81 -0.94 -0.54 0.00 0.00 174.62 173.96 1l4s s SER 6 N -3.35 -0.70 -0.59 3.99 1.04 -1.26 0.23 113.70 113.06 1l4s s SER 6 Ca 0.37 1.26 0.00 0.00 0.48 0.00 0.00 55.95 58.07 1l4s s SER 6 Cb 0.08 1.29 0.51 0.00 0.10 0.00 0.00 66.02 67.99 1l4s s SER 6 CO 0.14 -0.21 1.96 0.29 0.98 0.00 0.00 173.24 176.40 1l4s n LYS 7 N 3.05 2.60 0.00 4.02 5.02 -1.21 -4.36 118.16 127.28 1l4s n LYS 7 Ca -0.15 -3.25 0.00 0.00 -2.02 0.00 0.00 58.31 52.88 1l4s n LYS 7 Cb 0.56 -2.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 1l4s n LYS 7 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1l4s n GLN 8 N -0.97 0.00 -4.62 1.97 3.00 -1.26 -5.03 117.38 110.46 1l4s n GLN 8 Ca 0.61 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 57.32 1l4s n GLN 8 Cb 0.94 -0.05 -0.09 0.00 0.00 0.00 0.00 30.24 31.04 1l4s n GLN 8 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 1l4s s MET 9 N -1.90 1.98 0.45 -1.09 -1.94 -1.26 -5.15 119.30 110.39 1l4s s MET 9 Ca 0.00 -2.19 0.01 0.00 -1.71 0.00 0.00 55.69 51.80 1l4s s MET 9 Cb 0.00 -1.29 0.00 0.00 2.01 0.00 0.00 34.83 35.55 1l4s s MET 9 CO 0.00 -0.25 0.66 -1.83 -0.01 0.00 0.00 175.02 173.59 1l4s s GLU 10 N -3.80 3.01 -0.36 2.03 1.03 -1.26 -4.61 118.70 114.74 1l4s s GLU 10 Ca 0.23 -0.58 -0.20 0.00 0.03 0.00 0.00 54.97 54.45 1l4s s GLU 10 Cb 0.06 -2.58 0.00 0.00 -0.80 0.00 0.00 34.13 30.81 1l4s s GLU 10 CO 0.12 -0.29 0.63 0.42 -1.33 0.00 0.00 175.26 174.81 1l4s s ILE 11 N -2.54 4.89 0.07 1.83 -1.09 -1.26 -5.04 121.20 118.06 1l4s s ILE 11 Ca 0.49 0.54 -0.00 0.00 -2.23 0.00 0.00 60.65 59.45 1l4s s ILE 11 Cb -0.10 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 1l4s s ILE 11 CO 0.37 -0.33 0.23 0.42 -1.23 0.00 0.00 174.94 174.40 1l4s s THR 12 N 2.71 5.37 0.55 2.92 -4.23 -1.26 -4.98 115.64 116.72 1l4s s THR 12 Ca 0.24 -0.35 0.35 0.00 -1.18 0.00 0.00 61.69 60.75 1l4s s THR 12 Cb -0.14 -3.63 0.35 0.00 1.34 0.00 0.00 72.50 70.42 1l4s s THR 12 CO 0.15 0.13 2.08 -0.65 -0.54 0.00 0.00 174.62 175.79 1l4s h PRO 13 N 3.05 0.00 0.04 3.99 0.11 -1.98 0.19 132.00 137.41 1l4s h PRO 13 Ca -0.45 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.45 1l4s h PRO 13 Cb 1.16 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.29 1l4s h PRO 13 CO 0.76 0.00 -0.83 0.00 -0.21 0.00 0.00 178.00 177.72 1l4s h ALA 14 N 1.70 0.04 0.00 -0.75 0.00 -1.98 0.93 119.26 119.21 1l4s h ALA 14 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 54.91 54.15 1l4s h ALA 14 Cb 0.29 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1l4s h ALA 14 CO 0.00 0.47 -0.54 0.82 0.00 0.00 0.00 179.25 180.00 1l4s h ILE 15 N 0.02 1.25 -0.03 0.00 2.04 -1.48 0.14 117.51 119.45 1l4s h ILE 15 Ca -0.12 -1.95 -0.10 0.00 1.00 0.00 0.00 64.86 63.69 1l4s h ILE 15 Cb 1.54 2.09 0.01 0.00 -0.74 0.00 0.00 36.82 39.72 1l4s h ILE 15 CO 0.16 0.53 -0.39 0.03 0.00 0.00 0.00 178.15 178.48 1l4s h ARG 16 N 0.00 0.31 -0.46 2.37 3.08 -1.04 -2.56 114.38 116.08 1l4s h ARG 16 Ca -0.01 -0.30 -0.11 0.00 0.07 0.00 0.00 59.98 59.63 1l4s h ARG 16 Cb 1.05 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 1l4s h ARG 16 CO 0.07 0.97 -0.16 0.37 -1.07 0.00 0.00 179.97 180.16 1l4s h GLN 17 N -0.24 0.89 0.83 0.04 -0.00 -0.73 0.43 115.11 116.33 1l4s h GLN 17 Ca -0.04 -0.34 -0.04 0.00 -0.00 0.00 0.00 58.65 58.23 1l4s h GLN 17 Cb 1.09 -0.05 0.01 0.00 0.00 0.00 0.00 27.48 28.52 1l4s h GLN 17 CO 0.08 0.98 -0.40 1.25 0.00 0.00 0.00 178.83 180.74 1l4s h HIS 18 N 0.79 -1.04 -0.27 3.99 2.76 -0.77 0.64 115.15 121.24 1l4s h HIS 18 Ca 0.12 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1l4s h HIS 18 Cb 0.69 0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.98 1l4s h HIS 18 CO 0.04 -0.64 0.17 0.28 -1.30 0.00 0.00 177.93 176.48 1l4s h VAL 19 N -1.13 1.09 -0.56 5.26 2.07 -1.48 -2.62 116.25 118.88 1l4s h VAL 19 Ca -0.11 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.24 1l4s h VAL 19 Cb 0.86 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1l4s h VAL 19 CO 0.19 0.09 0.32 0.00 0.02 0.00 0.00 177.57 178.19 1l4s h ALA 20 N 1.07 0.72 -0.30 1.67 0.00 -0.10 -1.52 119.26 120.81 1l4s h ALA 20 Ca 0.10 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1l4s h ALA 20 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1l4s h ALA 20 CO -0.02 0.02 0.20 0.38 0.00 0.00 0.00 179.25 179.83 1l4s h ASP 21 N 0.63 0.33 0.76 0.00 3.04 0.50 -0.16 116.42 121.52 1l4s h ASP 21 Ca 0.23 -0.01 -0.12 0.00 -3.24 0.00 0.00 57.03 53.90 1l4s h ASP 21 Cb 0.07 -0.08 -0.02 0.00 -1.04 0.00 0.00 39.33 38.26 1l4s h ASP 21 CO -0.12 0.24 -0.55 0.03 -2.04 0.00 0.00 179.24 176.79 1l4s h ARG 22 N 0.39 0.00 0.23 4.15 -0.00 -0.95 -2.87 114.38 115.32 1l4s h ARG 22 Ca 0.11 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.58 1l4s h ARG 22 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.96 1l4s h ARG 22 CO -0.02 0.55 -0.11 -0.07 0.00 0.00 0.00 179.97 180.32 1l4s h LEU 23 N 0.00 -0.26 -2.56 3.04 3.38 -0.10 -1.85 115.31 116.97 1l4s h LEU 23 Ca -0.01 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.72 1l4s h LEU 23 Cb 1.08 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 1l4s h LEU 23 CO 0.07 0.15 0.04 0.00 0.09 0.00 0.00 178.44 178.80 1l4s h ALA 24 N -0.11 1.43 0.07 1.53 0.00 -1.47 -0.23 119.26 120.48 1l4s h ALA 24 Ca -0.03 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 1l4s h ALA 24 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1l4s h ALA 24 CO 0.05 -0.05 -1.11 -0.22 0.00 0.00 0.00 179.25 177.92 1l4s h LYS 25 N 0.00 0.20 -2.71 0.00 1.63 -1.36 -3.35 116.57 110.98 1l4s h LYS 25 Ca 0.01 -0.30 -0.54 0.00 -0.85 0.00 0.00 60.65 58.97 1l4s h LYS 25 Cb 0.09 0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1l4s h LYS 25 CO -0.00 1.12 2.63 1.28 -3.45 0.00 0.00 179.45 181.02 1l4s n LEU 26 N -3.51 7.77 0.00 5.20 4.77 -0.10 -4.69 117.00 126.44 1l4s n LEU 26 Ca -0.05 -4.04 0.00 0.00 -0.03 0.00 0.00 56.01 51.88 1l4s n LEU 26 Cb 0.96 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 1l4s n LEU 26 CO 0.51 1.97 0.40 1.21 -1.33 0.00 0.00 177.39 180.15 1l4s n GLU 27 N 3.23 0.00 0.16 3.23 2.13 -1.26 1.00 120.64 129.13 1l4s n GLU 27 Ca 0.68 0.40 0.19 0.00 0.66 0.00 0.00 57.16 59.09 1l4s n GLU 27 Cb 0.43 -1.34 0.76 0.00 0.27 0.00 0.00 31.44 31.55 1l4s n GLU 27 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1l4s h LYS 28 N 0.00 0.00 0.00 5.31 3.64 -1.96 -2.53 116.57 121.04 1l4s h LYS 28 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1l4s h LYS 28 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1l4s h LYS 28 CO 0.00 0.00 0.00 0.91 -2.27 0.00 0.00 179.45 178.09 1l4s n TRP 29 N -3.47 0.00 -1.25 1.91 5.03 -1.15 -4.46 117.44 114.05 1l4s n TRP 29 Ca 0.05 0.00 -0.28 0.00 3.03 0.00 0.00 57.50 60.30 1l4s n TRP 29 Cb 0.56 -0.07 -0.08 0.00 -1.03 0.00 0.00 31.31 30.69 1l4s n TRP 29 CO 0.00 0.00 0.00 1.04 -0.03 0.00 0.00 177.69 178.70 1l4s n GLN 30 N -0.96 3.05 -0.01 -0.99 6.02 0.28 -4.44 117.38 120.33 1l4s n GLN 30 Ca 0.00 -1.83 -0.17 0.00 -0.01 0.00 0.00 57.00 54.98 1l4s n GLN 30 Cb 0.00 -2.45 -0.14 0.00 1.02 0.00 0.00 30.24 28.67 1l4s n GLN 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1l4s h THR 31 N 2.54 1.62 0.00 5.09 1.03 -1.61 -3.45 112.91 118.13 1l4s h THR 31 Ca 0.58 -2.44 0.00 0.00 -0.01 0.00 0.00 66.41 64.54 1l4s h THR 31 Cb 0.78 3.26 0.00 0.00 -1.07 0.00 0.00 68.15 71.12 1l4s h THR 31 CO 1.13 0.66 0.00 0.00 -0.01 0.00 0.00 175.52 177.29 1l4s n HIS 32 N -4.35 0.00 -0.53 0.00 -0.00 -1.26 -5.09 115.22 103.99 1l4s n HIS 32 Ca -0.13 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.61 1l4s n HIS 32 Cb 0.66 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.64 1l4s n HIS 32 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1l4s n LEU 33 N 0.00 -0.52 -3.59 2.39 4.32 -1.26 -4.97 117.00 113.37 1l4s n LEU 33 Ca 0.00 0.94 -0.29 0.00 -0.02 0.00 0.00 56.01 56.64 1l4s n LEU 33 Cb 0.00 -0.58 -0.15 0.00 -1.62 0.00 0.00 43.42 41.07 1l4s n LEU 33 CO 0.00 -0.40 -0.33 -0.63 -1.22 0.00 0.00 177.39 174.82 1l4s s ILE 34 N -4.23 0.24 -0.46 -0.08 -1.09 -0.06 -4.96 121.20 110.56 1l4s s ILE 34 Ca 0.00 -1.05 -0.12 0.00 -2.23 0.00 0.00 60.65 57.25 1l4s s ILE 34 Cb 0.00 -1.20 0.02 0.00 -1.58 0.00 0.00 42.46 39.69 1l4s s ILE 34 CO 0.00 -0.74 0.59 0.59 -1.23 0.00 0.00 174.94 174.15 1l4s n ASN 35 N 5.01 -7.62 -4.84 3.58 3.02 -1.26 -4.52 115.26 108.63 1l4s n ASN 35 Ca -0.03 0.40 -0.32 0.00 -0.03 0.00 0.00 54.58 54.60 1l4s n ASN 35 Cb 0.41 -5.16 -0.03 0.00 -0.61 0.00 0.00 39.78 34.39 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 -2.61 3.94 -0.03 3.52 0.04 -1.26 -4.72 135.00 133.87 1l4s s PRO 36 Ca 0.19 0.91 -0.00 0.00 0.04 0.00 0.00 61.00 62.14 1l4s s PRO 36 Cb -0.05 -2.16 0.03 0.00 0.04 0.00 0.00 34.50 32.36 1l4s s PRO 36 CO 0.72 -0.25 0.01 -1.58 0.04 0.00 0.00 177.00 175.95 1l4s s HIS 37 N -2.60 0.25 -0.04 0.56 2.46 -1.02 -2.85 115.29 112.05 1l4s s HIS 37 Ca 0.58 0.05 0.07 0.00 0.47 0.00 0.00 55.06 56.23 1l4s s HIS 37 Cb -0.10 -0.41 -0.01 0.00 -0.13 0.00 0.00 32.58 31.93 1l4s s HIS 37 CO 0.31 -0.14 -0.25 0.42 -2.47 0.00 0.00 174.74 172.61 1l4s s ILE 38 N 1.24 2.02 0.01 0.89 1.09 0.22 -1.45 121.20 125.22 1l4s s ILE 38 Ca -0.07 -1.07 0.08 0.00 -1.10 0.00 0.00 60.65 58.50 1l4s s ILE 38 Cb -0.13 -1.70 -0.02 0.00 -1.06 0.00 0.00 42.46 39.55 1l4s s ILE 38 CO -0.02 0.57 -0.25 -0.63 -0.10 0.00 0.00 174.94 174.50 1l4s s ILE 39 N -0.33 2.17 -0.10 2.92 1.01 0.20 0.44 121.20 127.51 1l4s s ILE 39 Ca 0.02 -1.22 0.04 0.00 0.00 0.00 0.00 60.65 59.48 1l4s s ILE 39 Cb -0.12 -1.81 0.00 0.00 0.01 0.00 0.00 42.46 40.54 1l4s s ILE 39 CO 0.02 0.47 -0.24 -0.76 0.00 0.00 0.00 174.94 174.43 1l4s s LEU 40 N -0.94 2.07 0.00 2.97 1.43 0.14 0.19 118.68 124.54 1l4s s LEU 40 Ca 0.11 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1l4s s LEU 40 Cb -0.10 -1.38 -0.00 0.00 0.03 0.00 0.00 46.19 44.73 1l4s s LEU 40 CO 0.01 0.16 0.00 -1.20 0.23 0.00 0.00 176.35 175.55 1l4s n SER 41 N 3.52 1.54 -3.63 2.29 7.64 0.14 -3.34 113.62 121.77 1l4s n SER 41 Ca -0.19 -1.15 -0.14 0.00 1.01 0.00 0.00 58.87 58.39 1l4s n SER 41 Cb 0.53 0.05 -0.07 0.00 -1.01 0.00 0.00 64.21 63.70 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 -2.12 0.82 0.12 1.43 2.20 -1.26 -2.30 119.74 118.63 1l4s s LYS 42 Ca 0.01 0.83 0.05 0.00 -0.36 0.00 0.00 55.97 56.49 1l4s s LYS 42 Cb 0.00 0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 36.68 1l4s s LYS 42 CO 0.00 -0.12 -0.11 -1.21 -0.36 0.00 0.00 175.35 173.55 1l4s s GLU 43 N 0.13 0.98 0.61 4.03 2.02 0.25 -4.93 118.70 121.80 1l4s s GLU 43 Ca -0.02 -1.29 0.28 0.00 0.02 0.00 0.00 54.97 53.96 1l4s s GLU 43 Cb -0.04 -0.69 1.46 0.00 0.10 0.00 0.00 34.13 34.96 1l4s s GLU 43 CO 0.02 0.11 1.86 -1.35 0.02 0.00 0.00 175.26 175.92 1l4s h PRO 44 N 3.25 0.00 -0.00 0.39 0.11 -2.02 0.51 132.00 134.24 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 0.56 0.00 -0.32 0.94 -0.21 0.00 0.00 178.00 178.97 1l4s n GLN 45 N -3.49 0.54 -1.84 1.05 7.27 -1.26 -5.04 117.38 114.60 1l4s n GLN 45 Ca 0.06 -0.30 0.00 0.00 0.07 0.00 0.00 57.00 56.83 1l4s n GLN 45 Cb 0.65 -1.49 0.00 0.00 2.41 0.00 0.00 30.24 31.80 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 1.39 0.20 3.70 1.69 0.00 0.18 -4.60 105.19 107.75 1l4s n GLY 46 Ca 0.10 -1.55 -0.28 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.86 2.96 -0.00 1.61 0.40 -0.89 0.88 117.98 120.08 1l4s s PHE 47 Ca 0.00 -0.07 0.06 0.00 -0.60 0.00 0.00 56.93 56.32 1l4s s PHE 47 Cb 0.00 -1.47 -0.02 0.00 0.51 0.00 0.00 43.02 42.04 1l4s s PHE 47 CO 0.00 0.50 -0.18 0.08 0.70 0.00 0.00 175.22 176.32 1l4s s VAL 48 N -1.55 1.40 -0.08 -0.44 1.01 -0.98 -2.74 120.40 117.03 1l4s s VAL 48 Ca 0.27 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1l4s s VAL 48 Cb -0.10 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.12 1l4s s VAL 48 CO 0.19 0.34 -0.06 0.00 0.00 0.00 0.00 175.10 175.58 1l4s s ALA 49 N -0.49 1.00 0.13 5.51 0.00 0.10 0.25 121.76 128.26 1l4s s ALA 49 Ca 0.06 -0.30 0.11 0.00 0.00 0.00 0.00 51.96 51.83 1l4s s ALA 49 Cb -0.07 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 1l4s s ALA 49 CO -0.00 -0.25 -0.26 -0.51 0.00 0.00 0.00 175.76 174.74 1l4s s ASP 50 N 1.43 3.39 -0.10 0.00 1.11 0.13 -0.24 116.67 122.40 1l4s s ASP 50 Ca -0.02 -0.72 -0.09 0.00 0.18 0.00 0.00 52.55 51.90 1l4s s ASP 50 Cb -0.13 -0.26 0.03 0.00 1.07 0.00 0.00 42.92 43.62 1l4s s ASP 50 CO -0.04 0.18 0.26 0.00 1.18 0.00 0.00 175.17 176.76 1l4s s ALA 51 N -1.06 -0.65 -0.04 5.23 0.00 -0.47 0.62 121.76 125.39 1l4s s ALA 51 Ca 0.14 0.75 0.01 0.00 0.00 0.00 0.00 51.96 52.86 1l4s s ALA 51 Cb -0.10 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.61 1l4s s ALA 51 CO 0.06 -0.13 -0.03 0.99 0.00 0.00 0.00 175.76 176.66 1l4s s THR 52 N 0.15 0.39 -0.00 0.00 2.01 -0.53 -2.30 115.64 115.36 1l4s s THR 52 Ca -0.00 -0.04 0.03 0.00 0.31 0.00 0.00 61.69 61.99 1l4s s THR 52 Cb -0.02 -0.44 -0.01 0.00 0.01 0.00 0.00 72.50 72.04 1l4s s THR 52 CO 0.00 0.19 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.40 1l4s s ILE 53 N 0.94 0.72 -0.29 1.82 1.01 -0.84 -2.42 121.20 122.14 1l4s s ILE 53 Ca -0.11 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.01 1l4s s ILE 53 Cb -0.14 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 1l4s s ILE 53 CO -0.01 0.18 0.19 0.20 0.00 0.00 0.00 174.94 175.50 1l4s s ASN 54 N -0.27 5.91 0.04 3.58 -0.87 -1.26 -1.92 114.94 120.14 1l4s s ASN 54 Ca 0.03 -0.15 0.04 0.00 -1.57 0.00 0.00 52.86 51.21 1l4s s ASN 54 Cb -0.04 -2.10 -0.04 0.00 -0.02 0.00 0.00 41.25 39.06 1l4s s ASN 54 CO -0.00 -0.10 -0.06 0.42 -2.57 0.00 0.00 177.10 174.78 1l4s s THR 55 N 1.73 3.64 0.28 1.60 -4.23 0.14 -0.88 115.64 117.91 1l4s s THR 55 Ca 0.07 -0.91 0.30 0.00 -1.18 0.00 0.00 61.69 59.97 1l4s s THR 55 Cb -0.16 -2.63 0.30 0.00 1.34 0.00 0.00 72.50 71.35 1l4s s THR 55 CO 0.10 0.29 1.92 -0.65 -0.54 0.00 0.00 174.62 175.74 1l4s h PRO 56 N 4.17 0.00 -0.05 3.99 0.11 -1.98 -0.62 132.00 137.63 1l4s h PRO 56 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1l4s h PRO 56 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1l4s h PRO 56 CO 0.54 0.00 -0.16 0.09 -0.21 0.00 0.00 178.00 178.27 1l4s n ASN 57 N -2.63 2.31 0.00 -2.05 4.13 -1.26 -5.09 115.26 110.67 1l4s n ASN 57 Ca -0.02 -3.38 0.00 0.00 1.68 0.00 0.00 54.58 52.86 1l4s n ASN 57 Cb 0.13 -0.49 0.00 0.00 -1.54 0.00 0.00 39.78 37.89 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 -1.24 0.60 2.90 7.41 0.00 -0.24 -5.12 105.19 109.51 1l4s n GLY 58 Ca 0.19 -1.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.58 0.05 0.07 1.61 1.01 -1.26 0.23 120.40 119.52 1l4s s VAL 59 Ca 0.00 -0.26 0.09 0.00 0.00 0.00 0.00 61.98 61.81 1l4s s VAL 59 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.25 1l4s s VAL 59 CO 0.00 -0.13 -0.24 -0.76 0.00 0.00 0.00 175.10 173.97 1l4s s LEU 60 N -0.41 2.37 0.01 3.92 1.43 -0.81 -4.98 118.68 120.22 1l4s s LEU 60 Ca -0.04 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1l4s s LEU 60 Cb -0.03 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.82 1l4s s LEU 60 CO -0.00 0.23 -0.02 -0.69 0.23 0.00 0.00 176.35 176.10 1l4s s VAL 61 N -0.93 0.12 -0.00 -1.59 1.01 -1.26 -1.98 120.40 115.77 1l4s s VAL 61 Ca 0.14 -0.51 -0.21 0.00 0.00 0.00 0.00 61.98 61.39 1l4s s VAL 61 Cb -0.10 -0.20 0.04 0.00 0.00 0.00 0.00 36.38 36.12 1l4s s VAL 61 CO 0.05 -0.25 0.46 0.00 0.00 0.00 0.00 175.10 175.36 1l4s s ALA 62 N -0.78 -1.17 0.05 5.51 0.00 -0.97 -4.85 121.76 119.56 1l4s s ALA 62 Ca -0.08 0.62 -0.05 0.00 0.00 0.00 0.00 51.96 52.46 1l4s s ALA 62 Cb -0.05 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 1l4s s ALA 62 CO -0.00 -0.36 0.07 -1.12 0.00 0.00 0.00 175.76 174.34 1l4s s SER 63 N -1.52 0.25 -0.26 0.00 0.01 -1.26 -1.36 113.70 109.55 1l4s s SER 63 Ca -0.10 -0.67 -0.01 0.00 1.31 0.00 0.00 55.95 56.48 1l4s s SER 63 Cb -0.02 0.23 0.14 0.00 0.21 0.00 0.00 66.02 66.58 1l4s s SER 63 CO 0.04 -0.56 0.39 -0.83 0.41 0.00 0.00 173.24 172.69 1l4s s GLY 64 N -2.41 -0.46 -0.60 3.44 0.00 0.67 -4.24 107.32 103.72 1l4s s GLY 64 Ca -0.01 0.60 0.01 0.00 0.00 0.00 0.00 44.72 45.32 1l4s s GLY 64 CO -0.07 2.81 1.68 0.28 0.00 0.00 0.00 173.10 177.80 1l4s n LYS 65 N 5.36 3.04 -1.99 2.90 4.01 -1.26 0.02 118.16 130.24 1l4s n LYS 65 Ca -0.02 -3.78 -0.32 0.00 -0.51 0.00 0.00 58.31 53.68 1l4s n LYS 65 Cb 0.50 -2.27 0.01 0.00 -0.51 0.00 0.00 35.03 32.75 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 -3.80 3.13 0.54 2.13 2.46 -1.11 -4.69 115.29 113.95 1l4s s HIS 66 Ca 0.55 1.47 0.23 0.00 0.47 0.00 0.00 55.06 57.78 1l4s s HIS 66 Cb 0.45 -2.92 1.52 0.00 -0.13 0.00 0.00 32.58 31.49 1l4s s HIS 66 CO -0.16 -0.99 2.18 1.49 -2.47 0.00 0.00 174.74 174.80 1l4s h GLU 67 N 0.22 0.00 -5.05 2.88 4.81 -1.81 -2.37 114.58 113.26 1l4s h GLU 67 Ca -0.46 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.14 1l4s h GLU 67 Cb 1.21 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.43 1l4s h GLU 67 CO 0.58 0.02 -0.38 0.34 -0.73 0.00 0.00 179.01 178.84 1l4s s ASP 68 N -6.59 6.15 0.22 1.04 -1.08 -1.26 -3.87 116.67 111.29 1l4s s ASP 68 Ca -0.05 0.15 -0.10 0.00 -0.52 0.00 0.00 52.55 52.04 1l4s s ASP 68 Cb 0.16 -2.16 0.34 0.00 -1.46 0.00 0.00 42.92 39.79 1l4s s ASP 68 CO 0.61 -0.10 1.65 -0.03 0.52 0.00 0.00 175.17 177.82 1l4s h MET 69 N 8.16 0.10 -0.53 4.34 1.85 -1.89 0.28 114.93 127.23 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 1.17 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 33.16 1l4s h MET 69 CO 0.61 0.06 -0.02 1.88 -0.40 0.00 0.00 176.91 179.04 1l4s h TYR 70 N 0.10 1.05 -0.66 1.39 -1.99 -1.95 -2.30 116.97 112.61 1l4s h TYR 70 Ca 0.35 -0.19 -0.08 0.00 2.00 0.00 0.00 58.73 60.82 1l4s h TYR 70 Cb 0.58 -0.27 -0.03 0.00 2.00 0.00 0.00 36.73 39.02 1l4s h TYR 70 CO -0.40 0.96 0.11 1.15 -0.00 0.00 0.00 178.16 179.98 1l4s h THR 71 N 0.83 1.26 0.04 -2.88 2.02 -1.55 -0.89 112.91 111.74 1l4s h THR 71 Ca 0.15 -1.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.31 1l4s h THR 71 Cb 0.56 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1l4s h THR 71 CO 0.03 0.38 -0.02 0.00 0.37 0.00 0.00 175.52 176.28 1l4s h ALA 72 N 1.10 -0.05 -0.62 6.16 0.00 -0.37 0.42 119.26 125.90 1l4s h ALA 72 Ca 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1l4s h ALA 72 Cb 0.42 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1l4s h ALA 72 CO 0.01 -0.49 0.37 0.82 0.00 0.00 0.00 179.25 179.97 1l4s h ILE 73 N -0.14 1.18 -0.67 0.00 2.04 -1.31 0.16 117.51 118.76 1l4s h ILE 73 Ca -0.01 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 1l4s h ILE 73 Cb 0.12 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 1l4s h ILE 73 CO 0.01 0.19 0.20 -1.13 0.00 0.00 0.00 178.15 177.41 1l4s h ASN 74 N 0.83 0.98 -0.32 1.72 -0.73 -0.94 -2.54 115.58 114.58 1l4s h ASN 74 Ca 0.22 -0.18 -0.05 0.00 1.87 0.00 0.00 56.30 58.16 1l4s h ASN 74 Cb -0.02 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.30 1l4s h ASN 74 CO -0.04 0.92 0.00 -0.33 -0.37 0.00 0.00 177.43 177.61 1l4s h GLU 75 N 1.00 0.57 0.09 6.67 5.08 0.49 -1.05 114.58 127.43 1l4s h GLU 75 Ca 0.22 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1l4s h GLU 75 Cb 0.31 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1l4s h GLU 75 CO -0.01 0.70 -0.49 1.25 -1.00 0.00 0.00 179.01 179.46 1l4s h LEU 76 N 0.37 -1.47 -2.04 1.33 6.46 -0.45 0.24 115.31 119.75 1l4s h LEU 76 Ca 0.09 0.16 0.07 0.00 -0.12 0.00 0.00 57.88 58.08 1l4s h LEU 76 Cb 0.44 0.55 -0.01 0.00 -0.73 0.00 0.00 40.66 40.91 1l4s h LEU 76 CO 0.02 -0.53 0.19 0.40 -0.62 0.00 0.00 178.44 177.89 1l4s h ILE 77 N -0.70 0.81 -0.16 4.05 2.04 -1.44 0.36 117.51 122.46 1l4s h ILE 77 Ca 0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.91 1l4s h ILE 77 Cb 0.73 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1l4s h ILE 77 CO -0.29 0.00 0.12 -1.13 0.00 0.00 0.00 178.15 176.84 1l4s h ASN 78 N 0.00 0.06 0.97 1.72 -0.73 0.81 0.81 115.58 119.22 1l4s h ASN 78 Ca 0.12 -0.00 -0.19 0.00 1.87 0.00 0.00 56.30 58.09 1l4s h ASN 78 Cb 0.49 -0.01 -0.03 0.00 0.27 0.00 0.00 38.32 39.03 1l4s h ASN 78 CO -0.00 0.04 -1.10 0.11 -0.37 0.00 0.00 177.43 176.11 1l4s h LYS 79 N 0.07 0.00 -0.03 6.67 6.56 0.64 -2.10 116.57 128.38 1l4s h LYS 79 Ca 0.07 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.66 1l4s h LYS 79 Cb 0.21 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.87 1l4s h LYS 79 CO -0.01 0.63 0.01 -0.07 -2.06 0.00 0.00 179.45 177.96 1l4s h LEU 80 N 0.00 0.05 0.02 2.94 3.38 -0.27 0.44 115.31 121.87 1l4s h LEU 80 Ca -0.09 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1l4s h LEU 80 Cb 1.69 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.42 1l4s h LEU 80 CO 0.09 0.22 -0.01 -0.08 0.09 0.00 0.00 178.44 178.75 1l4s h GLU 81 N -0.13 -0.02 0.00 1.13 4.81 -1.17 -1.18 114.58 118.02 1l4s h GLU 81 Ca 0.01 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1l4s h GLU 81 Cb 0.19 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1l4s h GLU 81 CO -0.00 -0.00 -0.07 0.00 -0.73 0.00 0.00 179.01 178.20 1l4s h ARG 82 N -0.04 0.00 -0.02 1.92 3.08 -1.22 -1.41 114.38 116.70 1l4s h ARG 82 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1l4s h ARG 82 Cb 0.03 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.09 1l4s h ARG 82 CO 0.00 0.07 -0.43 1.96 -1.07 0.00 0.00 179.97 180.51 1l4s h GLN 83 N 0.00 0.32 -0.06 0.04 4.20 0.59 -3.23 115.11 116.96 1l4s h GLN 83 Ca -0.00 -0.32 -0.06 0.00 0.06 0.00 0.00 58.65 58.33 1l4s h GLN 83 Cb 0.20 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1l4s h GLN 83 CO 0.01 1.00 -0.26 -0.07 -0.67 0.00 0.00 178.83 178.85 1l4s h LEU 84 N -0.25 0.10 -2.02 1.46 3.38 -0.82 -2.31 115.31 114.86 1l4s h LEU 84 Ca -0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1l4s h LEU 84 Cb 1.14 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1l4s h LEU 84 CO 0.08 0.37 -0.07 -1.13 0.09 0.00 0.00 178.44 177.78 1l4s h ASN 85 N 0.10 0.00 1.03 -0.43 -1.24 -1.29 -0.90 115.58 112.84 1l4s h ASN 85 Ca 0.02 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.98 1l4s h ASN 85 Cb 0.51 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.56 1l4s h ASN 85 CO 0.04 0.07 -0.23 0.11 -1.29 0.00 0.00 177.43 176.13 1l4s h LYS 86 N 0.00 0.00 0.00 6.67 1.79 -1.44 -2.82 116.57 120.77 1l4s h LYS 86 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1l4s h LYS 86 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1l4s h LYS 86 CO 0.01 0.23 0.00 -0.07 -1.08 0.00 0.00 179.45 178.54 1l4s h LEU 87 N 0.00 0.00 0.00 2.94 3.38 -1.23 -2.41 115.31 117.99 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 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1l4s h LEU 87 CO 0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1l4s n GLN 88 N -2.37 0.24 -0.01 1.13 6.02 -1.06 -3.96 117.38 117.36 1l4s n GLN 88 Ca 0.02 0.06 -0.01 0.00 -0.01 0.00 0.00 57.00 57.06 1l4s n GLN 88 Cb 0.23 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.99 1l4s n GLN 88 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1l4s h HIS 89 N 0.00 0.00 -0.15 1.08 3.86 -1.63 -3.49 115.15 114.82 1l4s h HIS 89 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1l4s h HIS 89 Cb 0.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1l4s h HIS 89 CO 0.00 0.00 0.00 1.17 0.86 0.00 0.00 177.93 179.96 1l4s n LYS 90 N -2.70 0.00 0.00 2.45 3.00 -1.25 -4.97 118.16 114.69 1l4s n LYS 90 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1l4s n LYS 90 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.06 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 1.42 3.19 3.14 0.00 -1.26 -5.10 105.19 106.58 1l4s n GLY 91 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.04 2.60 0.20 1.61 2.56 -1.26 -4.90 118.70 119.46 1l4s s GLU 92 Ca 0.00 -2.06 0.10 0.00 0.00 0.00 0.00 54.97 53.02 1l4s s GLU 92 Cb 0.00 -3.91 0.01 0.00 2.00 0.00 0.00 34.13 32.23 1l4s s GLU 92 CO 0.00 -1.19 1.40 0.00 -0.56 0.00 0.00 175.26 174.91 1l4s h ALA 93 N 7.96 0.57 -2.06 6.30 0.00 -2.05 -3.44 119.26 126.54 1l4s h ALA 93 Ca -0.11 -0.71 -0.58 0.00 0.00 0.00 0.00 54.91 53.52 1l4s h ALA 93 Cb 1.04 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.71 1l4s h ALA 93 CO 0.79 0.97 1.39 0.54 0.00 0.00 0.00 179.25 182.94 1l4s n ARG 94 N -3.40 2.22 -3.77 0.00 5.12 -1.26 -4.96 116.66 110.60 1l4s n ARG 94 Ca 0.00 0.70 -0.23 0.00 -1.93 0.00 0.00 57.85 56.39 1l4s n ARG 94 Cb 0.81 -3.10 -0.02 0.00 -1.16 0.00 0.00 32.46 28.99 1l4s n ARG 94 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1l4s s ARG 95 N 5.65 3.46 -0.81 5.56 3.03 -1.26 -5.04 118.95 129.55 1l4s s ARG 95 Ca 0.97 -0.57 -0.25 0.00 2.03 0.00 0.00 55.73 57.91 1l4s s ARG 95 Cb -0.41 -2.83 0.05 0.00 -1.03 0.00 0.00 34.95 30.73 1l4s s ARG 95 CO 0.39 0.36 1.26 0.00 -1.13 0.00 0.00 175.30 176.18 1l4s s ALA 96 N -2.03 2.84 -0.86 7.88 0.00 -1.26 -4.95 121.76 123.38 1l4s s ALA 96 Ca 0.36 -1.76 -0.25 0.00 0.00 0.00 0.00 51.96 50.32 1l4s s ALA 96 Cb -0.10 -4.25 -0.05 0.00 0.00 0.00 0.00 23.12 18.73 1l4s s ALA 96 CO 0.31 -3.27 1.96 0.00 0.00 0.00 0.00 175.76 174.76 1l4s s ALA 97 N 5.08 1.67 0.46 0.00 0.00 -1.26 -4.64 121.76 123.07 1l4s s ALA 97 Ca 0.35 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1l4s s ALA 97 Cb -0.07 -4.53 0.00 0.00 0.00 0.00 0.00 23.12 18.52 1l4s s ALA 97 CO 0.06 -4.76 0.00 2.41 0.00 0.00 0.00 175.76 173.47 1l4s n THR 98 N 7.85 -4.94 -2.91 0.00 -1.04 -1.26 -5.07 114.28 106.91 1l4s n THR 98 Ca 0.38 2.19 0.04 0.00 -2.04 0.00 0.00 64.05 64.62 1l4s n THR 98 Cb 0.47 -3.01 0.00 0.00 -1.82 0.00 0.00 70.33 65.98 1l4s n THR 98 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1l4s s SER 99 N -3.12 -0.12 -0.44 8.00 1.04 -1.26 -5.11 113.70 112.69 1l4s s SER 99 Ca 0.00 -0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.45 1l4s s SER 99 Cb 0.00 0.59 0.17 0.00 0.10 0.00 0.00 66.02 66.88 1l4s s SER 99 CO 0.00 -0.02 0.36 1.33 0.98 0.00 0.00 173.24 175.89 1l4s n VAL 100 N 4.26 -0.98 -0.04 5.02 0.24 -1.26 -4.91 118.33 120.66 1l4s n VAL 100 Ca 0.07 -3.55 -0.05 0.00 -2.04 0.00 0.00 64.34 58.77 1l4s n VAL 100 Cb 0.62 -1.70 -0.05 0.00 -1.47 0.00 0.00 33.84 31.23 1l4s n VAL 100 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1l4s n LYS 101 N 2.75 1.45 -3.29 7.34 2.85 -1.26 -5.00 118.16 123.00 1l4s n LYS 101 Ca 0.29 0.03 -0.39 0.00 -1.05 0.00 0.00 58.31 57.19 1l4s n LYS 101 Cb 0.47 -1.20 -0.06 0.00 -0.65 0.00 0.00 35.03 33.59 1l4s n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1l4s s ASP 102 N -4.48 7.02 -0.24 -5.58 1.01 -1.26 -4.68 116.67 108.46 1l4s s ASP 102 Ca -0.09 1.21 -0.06 0.00 0.71 0.00 0.00 52.55 54.32 1l4s s ASP 102 Cb 0.03 -2.35 0.02 0.00 1.01 0.00 0.00 42.92 41.63 1l4s s ASP 102 CO 0.27 0.25 0.13 0.00 0.21 0.00 0.00 175.17 176.03 1l4s n ALA 103 N 1.90 -3.61 -3.54 5.23 0.00 -1.26 -4.96 120.51 114.27 1l4s n ALA 103 Ca -0.10 1.50 -0.32 0.00 0.00 0.00 0.00 53.44 54.52 1l4s n ALA 103 Cb 0.51 -2.93 -0.07 0.00 0.00 0.00 0.00 19.45 16.95 1l4s n ALA 103 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1l4s n ASN 104 N 1.20 4.04 -0.89 0.00 2.85 -1.26 -5.02 115.26 116.18 1l4s n ASN 104 Ca -0.22 -3.31 0.00 0.00 -0.11 0.00 0.00 54.58 50.94 1l4s n ASN 104 Cb 0.34 -0.87 0.00 0.00 1.24 0.00 0.00 39.78 40.49 1l4s n ASN 104 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1l4s n PHE 105 N 1.55 -0.64 -3.87 1.20 3.72 -1.26 -5.11 117.46 113.06 1l4s n PHE 105 Ca 0.25 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.37 1l4s n PHE 105 Cb 0.37 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.79 1l4s n PHE 105 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1l4s s VAL 106 N -2.72 2.62 -0.00 -4.37 1.01 -1.26 -4.96 120.40 110.72 1l4s s VAL 106 Ca 0.00 -3.97 -0.13 0.00 0.00 0.00 0.00 61.98 57.89 1l4s s VAL 106 Cb 0.00 -2.74 -0.07 0.00 0.00 0.00 0.00 36.38 33.57 1l4s s VAL 106 CO 0.00 -0.99 0.79 -0.08 0.00 0.00 0.00 175.10 174.82 1l4s h GLU 107 N 5.62 -0.44 0.00 2.72 4.81 -2.00 -3.48 114.58 121.82 1l4s h GLU 107 Ca 0.11 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1l4s h GLU 107 Cb 0.79 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1l4s h GLU 107 CO 0.68 -0.29 0.00 0.39 -0.73 0.00 0.00 179.01 179.06 1l4s n GLU 108 N -3.82 0.00 -3.54 1.92 1.02 -1.26 -5.09 120.64 109.87 1l4s n GLU 108 Ca -0.06 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.80 1l4s n GLU 108 Cb 0.18 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.45 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 -1.34 -0.08 -0.02 2.62 -7.23 -1.26 -4.97 120.40 108.13 1l4s s VAL 109 Ca 0.00 -0.74 -0.00 0.00 -1.81 0.00 0.00 61.98 59.43 1l4s s VAL 109 Cb 0.00 -0.97 -0.01 0.00 0.56 0.00 0.00 36.38 35.96 1l4s s VAL 109 CO 0.00 -0.71 -0.01 1.21 -0.31 0.00 0.00 175.10 175.27 1l4s n GLU 110 N 5.25 0.04 -4.02 4.82 0.00 -1.26 -5.10 120.64 120.36 1l4s n GLU 110 Ca -0.06 0.01 -0.10 0.00 0.00 0.00 0.00 57.16 57.01 1l4s n GLU 110 Cb 0.42 -0.95 -0.08 0.00 0.00 0.00 0.00 31.44 30.84 1l4s n GLU 110 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1l4s s GLU 111 N -2.03 1.15 0.00 5.31 2.02 -1.26 -5.21 118.70 118.68 1l4s s GLU 111 Ca -0.02 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.69 1l4s s GLU 111 Cb 0.01 0.35 0.00 0.00 0.10 0.00 0.00 34.13 34.59 1l4s s GLU 111 CO 0.03 -0.41 0.00 -1.91 0.02 0.00 0.00 175.26 172.99