#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l3n h THR 2 N 0.00 1.33 -3.36 0.00 1.03 -1.93 -3.37 112.91 106.61 1l3n h THR 2 Ca 0.00 -2.73 -0.66 0.00 -0.01 0.00 0.00 66.41 63.01 1l3n h THR 2 Cb 0.00 2.96 -0.33 0.00 -1.07 0.00 0.00 68.15 69.71 1l3n h THR 2 CO 0.00 0.82 -0.87 -0.75 -0.01 0.00 0.00 175.52 174.70 1l3n s LYS 3 N -2.69 2.86 0.08 0.00 2.20 -1.26 -0.41 119.74 120.52 1l3n s LYS 3 Ca -0.08 -0.82 0.04 0.00 -0.36 0.00 0.00 55.97 54.75 1l3n s LYS 3 Cb 0.05 -2.18 -0.03 0.00 -1.51 0.00 0.00 37.83 34.16 1l3n s LYS 3 CO 0.93 0.16 -0.12 0.00 -0.36 0.00 0.00 175.35 175.97 1l3n s ALA 4 N 0.38 1.08 0.42 3.13 0.00 -0.02 -0.81 121.76 125.94 1l3n s ALA 4 Ca -0.18 -1.04 0.07 0.00 0.00 0.00 0.00 51.96 50.81 1l3n s ALA 4 Cb -0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 1l3n s ALA 4 CO 0.08 0.07 0.32 0.14 0.00 0.00 0.00 175.76 176.37 1l3n s VAL 5 N -1.70 2.49 -0.29 0.00 -7.23 0.85 -0.56 120.40 113.97 1l3n s VAL 5 Ca -0.00 -1.46 0.03 0.00 -1.81 0.00 0.00 61.98 58.73 1l3n s VAL 5 Cb -0.08 -2.95 0.18 0.00 0.56 0.00 0.00 36.38 34.09 1l3n s VAL 5 CO 0.01 0.00 0.50 0.00 -0.31 0.00 0.00 175.10 175.30 1l3n s ALA 6 N -2.53 -1.78 -0.14 1.32 0.00 0.15 -0.68 121.76 118.09 1l3n s ALA 6 Ca 0.45 0.82 -0.18 0.00 0.00 0.00 0.00 51.96 53.05 1l3n s ALA 6 Cb -0.01 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 1l3n s ALA 6 CO 0.26 -1.68 0.47 0.14 0.00 0.00 0.00 175.76 174.95 1l3n s VAL 7 N 2.69 5.18 0.12 0.00 -7.23 -1.26 -0.85 120.40 119.06 1l3n s VAL 7 Ca 0.12 0.91 0.03 0.00 -1.81 0.00 0.00 61.98 61.23 1l3n s VAL 7 Cb -0.12 -3.81 -0.04 0.00 0.56 0.00 0.00 36.38 32.98 1l3n s VAL 7 CO -0.26 0.29 0.17 -0.76 -0.31 0.00 0.00 175.10 174.23 1l3n s LEU 8 N 0.89 4.04 0.16 1.32 1.02 -0.24 -4.11 118.68 121.76 1l3n s LEU 8 Ca 0.24 0.05 -0.23 0.00 0.02 0.00 0.00 54.13 54.21 1l3n s LEU 8 Cb -0.15 -2.65 0.06 0.00 0.02 0.00 0.00 46.19 43.47 1l3n s LEU 8 CO 0.10 0.11 0.67 -0.75 0.02 0.00 0.00 176.35 176.50 1l3n s LYS 9 N -2.85 1.31 0.15 1.70 2.20 0.18 -0.47 119.74 121.96 1l3n s LYS 9 Ca 0.32 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.38 1l3n s LYS 9 Cb -0.11 0.56 0.00 0.00 -1.51 0.00 0.00 37.83 36.77 1l3n s LYS 9 CO 0.25 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 1l3n n GLY 10 N -0.38 -1.14 0.12 5.54 0.00 -1.25 -1.04 105.19 107.04 1l3n n GLY 10 Ca -0.13 0.32 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 1l3n n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1l3n h ASP 11 N 0.00 0.38 0.00 1.61 5.19 -1.80 -3.49 116.42 118.32 1l3n h ASP 11 Ca 0.00 -0.73 0.00 0.00 -0.62 0.00 0.00 57.03 55.68 1l3n h ASP 11 Cb 0.00 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.39 1l3n h ASP 11 CO 0.00 1.06 0.00 0.61 -3.12 0.00 0.00 179.24 177.79 1l3n n GLY 12 N 0.93 2.36 0.37 2.75 0.00 -1.26 -4.88 105.19 105.45 1l3n n GLY 12 Ca -0.09 -0.53 0.05 0.00 0.00 0.00 0.00 46.02 45.44 1l3n n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1l3n h PRO 13 N 0.00 0.99 -6.12 1.61 0.13 -1.92 -3.37 132.00 123.33 1l3n h PRO 13 Ca 0.00 -0.06 -0.54 0.00 -0.87 0.00 0.00 66.00 64.53 1l3n h PRO 13 Cb 0.00 -0.22 -0.03 0.00 0.13 0.00 0.00 31.00 30.88 1l3n h PRO 13 CO 0.00 0.65 1.33 0.08 -0.23 0.00 0.00 178.00 179.84 1l3n s VAL 14 N -5.91 3.40 -0.14 1.56 1.01 -1.25 -4.00 120.40 115.07 1l3n s VAL 14 Ca -0.11 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1l3n s VAL 14 Cb 0.20 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.90 1l3n s VAL 14 CO 0.80 -0.56 -0.14 0.00 0.00 0.00 0.00 175.10 175.20 1l3n s GLN 15 N 6.35 2.29 0.25 2.72 -2.07 0.17 -3.91 119.66 125.46 1l3n s GLN 15 Ca 0.77 -0.56 -0.09 0.00 -1.82 0.00 0.00 55.36 53.65 1l3n s GLN 15 Cb -0.18 -2.08 -0.07 0.00 -1.09 0.00 0.00 33.01 29.58 1l3n s GLN 15 CO 0.28 -0.22 0.57 0.20 -1.32 0.00 0.00 175.29 174.81 1l3n s GLY 16 N 1.43 2.20 -0.48 2.60 0.00 0.38 -1.15 107.32 112.30 1l3n s GLY 16 Ca 0.04 -0.29 0.06 0.00 0.00 0.00 0.00 44.72 44.53 1l3n s GLY 16 CO -0.10 -0.15 0.63 -0.42 0.00 0.00 0.00 173.10 173.07 1l3n s ILE 17 N -1.90 -0.77 -0.01 0.90 1.01 0.47 -1.08 121.20 119.83 1l3n s ILE 17 Ca 0.47 -1.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.05 1l3n s ILE 17 Cb -0.11 -0.22 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 1l3n s ILE 17 CO 0.23 -0.21 0.07 -0.63 0.00 0.00 0.00 174.94 174.40 1l3n s ILE 18 N 0.95 4.69 -0.14 2.92 -1.09 -0.03 -1.65 121.20 126.86 1l3n s ILE 18 Ca 0.27 -0.40 0.01 0.00 -2.23 0.00 0.00 60.65 58.30 1l3n s ILE 18 Cb -0.01 -3.13 0.02 0.00 -1.58 0.00 0.00 42.46 37.75 1l3n s ILE 18 CO -0.07 0.37 -0.17 0.20 -1.23 0.00 0.00 174.94 174.03 1l3n s ASN 19 N -1.67 2.79 -0.24 3.58 0.02 0.70 -0.68 114.94 119.43 1l3n s ASN 19 Ca 0.22 -0.52 -0.09 0.00 -1.02 0.00 0.00 52.86 51.45 1l3n s ASN 19 Cb -0.12 -1.27 -0.04 0.00 0.02 0.00 0.00 41.25 39.85 1l3n s ASN 19 CO 0.13 0.01 0.11 -0.36 0.02 0.00 0.00 177.10 177.01 1l3n s PHE 20 N 1.15 3.19 -0.07 2.20 0.40 0.28 -0.97 117.98 124.16 1l3n s PHE 20 Ca -0.01 -0.08 0.05 0.00 -0.60 0.00 0.00 56.93 56.28 1l3n s PHE 20 Cb -0.14 -2.24 -0.01 0.00 0.51 0.00 0.00 43.02 41.14 1l3n s PHE 20 CO -0.06 -0.13 -0.21 -1.21 0.70 0.00 0.00 175.22 174.30 1l3n s GLU 21 N 1.28 2.66 -0.33 0.44 2.02 -0.40 -0.84 118.70 123.53 1l3n s GLU 21 Ca 0.06 -0.83 0.02 0.00 0.02 0.00 0.00 54.97 54.24 1l3n s GLU 21 Cb -0.14 -2.28 0.10 0.00 0.10 0.00 0.00 34.13 31.91 1l3n s GLU 21 CO 0.05 0.41 0.07 -1.14 0.02 0.00 0.00 175.26 174.66 1l3n s GLN 22 N -0.21 1.23 0.02 1.61 0.74 0.45 -2.10 119.66 121.41 1l3n s GLN 22 Ca -0.01 -1.62 -0.22 0.00 0.05 0.00 0.00 55.36 53.56 1l3n s GLN 22 Cb -0.13 -2.82 -0.12 0.00 1.10 0.00 0.00 33.01 31.04 1l3n s GLN 22 CO 0.03 -0.95 1.09 -0.22 -0.55 0.00 0.00 175.29 174.69 1l3n h LYS 23 N 7.76 -0.75 -6.12 1.67 3.64 -1.86 -3.41 116.57 117.51 1l3n h LYS 23 Ca -0.07 0.05 -0.53 0.00 -1.27 0.00 0.00 60.65 58.83 1l3n h LYS 23 Cb 1.02 0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.95 1l3n h LYS 23 CO 0.50 -0.50 -0.49 -1.21 -2.27 0.00 0.00 179.45 175.48 1l3n s GLU 24 N -4.32 2.49 0.56 1.90 8.01 -1.26 -4.97 118.70 121.11 1l3n s GLU 24 Ca -0.11 -1.48 0.34 0.00 0.01 0.00 0.00 54.97 53.72 1l3n s GLU 24 Cb 0.01 -2.28 1.60 0.00 -4.31 0.00 0.00 34.13 29.15 1l3n s GLU 24 CO 0.34 0.06 2.08 1.03 0.01 0.00 0.00 175.26 178.79 1l3n h SER 25 N 1.40 0.00 1.64 -0.19 0.87 -1.85 0.07 113.55 115.49 1l3n h SER 25 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1l3n h SER 25 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1l3n h SER 25 CO 0.62 0.05 0.00 0.78 -0.53 0.00 0.00 176.83 177.75 1l3n h ASN 26 N 0.00 0.00 -3.86 6.23 2.35 -1.94 -3.45 115.58 114.90 1l3n h ASN 26 Ca -0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 1l3n h ASN 26 Cb 0.37 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.79 1l3n h ASN 26 CO 0.01 0.00 0.55 -0.83 -1.65 0.00 0.00 177.43 175.50 1l3n s GLY 27 N -4.15 3.00 0.61 2.83 0.00 0.01 -5.01 107.32 104.60 1l3n s GLY 27 Ca 0.05 1.06 -0.19 0.00 0.00 0.00 0.00 44.72 45.64 1l3n s GLY 27 CO 0.62 1.66 1.29 2.56 0.00 0.00 0.00 173.10 179.23 1l3n s PRO 28 N -1.76 2.79 -0.38 2.90 0.04 -1.26 -4.78 135.00 132.55 1l3n s PRO 28 Ca 0.49 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.28 1l3n s PRO 28 Cb -0.35 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.25 1l3n s PRO 28 CO 0.45 -1.40 1.14 0.08 0.04 0.00 0.00 177.00 177.31 1l3n s VAL 29 N -1.42 4.33 -0.31 -0.36 1.01 0.29 -4.72 120.40 119.22 1l3n s VAL 29 Ca 0.79 1.46 -0.17 0.00 0.00 0.00 0.00 61.98 64.06 1l3n s VAL 29 Cb -0.36 -4.45 -0.02 0.00 0.00 0.00 0.00 36.38 31.55 1l3n s VAL 29 CO 0.40 -0.69 0.47 -0.75 0.00 0.00 0.00 175.10 174.54 1l3n s LYS 30 N 4.06 3.84 -0.35 2.72 2.20 -0.89 -0.86 119.74 130.47 1l3n s LYS 30 Ca 0.48 0.02 -0.06 0.00 -0.36 0.00 0.00 55.97 56.05 1l3n s LYS 30 Cb -0.11 -3.73 0.05 0.00 -1.51 0.00 0.00 37.83 32.53 1l3n s LYS 30 CO 0.23 -0.47 0.11 0.54 -0.36 0.00 0.00 175.35 175.40 1l3n s VAL 31 N 2.28 3.66 0.24 4.02 0.11 0.74 -1.28 120.40 130.17 1l3n s VAL 31 Ca 0.18 -1.27 0.06 0.00 -2.93 0.00 0.00 61.98 58.02 1l3n s VAL 31 Cb -0.16 -3.13 -0.05 0.00 -1.53 0.00 0.00 36.38 31.52 1l3n s VAL 31 CO 0.11 -0.24 -0.08 -1.66 -3.33 0.00 0.00 175.10 169.91 1l3n s TRP 32 N 1.36 1.75 -3.68 1.54 -2.14 -0.15 -0.78 118.94 116.84 1l3n s TRP 32 Ca -0.01 -0.71 0.00 0.00 2.66 0.00 0.00 56.10 58.04 1l3n s TRP 32 Cb -0.20 -0.94 0.00 0.00 -3.10 0.00 0.00 33.47 29.23 1l3n s TRP 32 CO 0.02 0.23 0.00 0.41 -2.66 0.00 0.00 176.95 174.94 1l3n n GLY 33 N -0.46 0.32 3.58 3.67 0.00 0.39 -0.22 105.19 112.47 1l3n n GLY 33 Ca -0.07 -1.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 1l3n n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1l3n s SER 34 N -4.00 -0.35 -0.19 1.61 1.04 -0.66 -0.64 113.70 110.52 1l3n s SER 34 Ca 0.00 -0.38 -0.01 0.00 0.48 0.00 0.00 55.95 56.04 1l3n s SER 34 Cb 0.00 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.75 1l3n s SER 34 CO 0.00 -1.11 -0.14 0.27 0.98 0.00 0.00 173.24 173.25 1l3n s ILE 35 N -3.85 2.64 -0.11 -1.02 -0.00 0.29 -0.39 121.20 118.76 1l3n s ILE 35 Ca 0.07 -0.75 0.00 0.00 -0.00 0.00 0.00 60.65 59.98 1l3n s ILE 35 Cb -0.02 -2.14 -0.02 0.00 -0.00 0.00 0.00 42.46 40.27 1l3n s ILE 35 CO -0.03 0.50 -0.11 -1.59 -0.00 0.00 0.00 174.94 173.70 1l3n s LYS 36 N 1.22 3.14 0.00 0.37 -2.85 -0.30 -0.37 119.74 120.95 1l3n s LYS 36 Ca 0.02 -0.65 0.00 0.00 -1.00 0.00 0.00 55.97 54.35 1l3n s LYS 36 Cb -0.14 -2.61 0.00 0.00 -2.06 0.00 0.00 37.83 33.02 1l3n s LYS 36 CO -0.06 0.37 0.00 0.41 0.10 0.00 0.00 175.35 176.17 1l3n n GLY 37 N 3.07 0.69 3.60 0.59 0.00 0.68 -0.66 105.19 113.17 1l3n n GLY 37 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 1l3n n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1l3n s LEU 38 N 0.00 0.74 0.19 0.99 2.01 0.03 -4.25 118.68 118.38 1l3n s LEU 38 Ca 0.00 0.57 0.06 0.00 0.01 0.00 0.00 54.13 54.78 1l3n s LEU 38 Cb 0.00 -2.29 -0.04 0.00 0.01 0.00 0.00 46.19 43.87 1l3n s LEU 38 CO 0.00 -4.13 0.10 0.28 1.01 0.00 0.00 176.35 173.61 1l3n s THR 39 N -3.05 4.19 0.61 5.49 -1.32 -1.26 -3.87 115.64 116.43 1l3n s THR 39 Ca 0.71 -1.30 -0.18 0.00 -1.21 0.00 0.00 61.69 59.72 1l3n s THR 39 Cb -0.09 -3.16 -0.06 0.00 -1.51 0.00 0.00 72.50 67.68 1l3n s THR 39 CO 0.56 -0.17 0.65 1.21 -2.21 0.00 0.00 174.62 174.66 1l3n n GLU 40 N -0.47 0.56 0.00 7.08 2.13 -1.26 -4.72 120.64 123.97 1l3n n GLU 40 Ca -0.08 0.23 0.00 0.00 0.66 0.00 0.00 57.16 57.96 1l3n n GLU 40 Cb 0.56 -1.86 0.00 0.00 0.27 0.00 0.00 31.44 30.41 1l3n n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1l3n n GLY 41 N 1.62 -2.04 3.80 8.31 0.00 -0.37 -4.88 105.19 111.62 1l3n n GLY 41 Ca 0.12 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 1l3n n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1l3n s LEU 42 N 0.00 3.94 -0.04 0.99 1.02 -1.26 -0.45 118.68 122.88 1l3n s LEU 42 Ca 0.00 1.87 -0.04 0.00 0.02 0.00 0.00 54.13 55.98 1l3n s LEU 42 Cb 0.00 -4.47 0.01 0.00 0.02 0.00 0.00 46.19 41.74 1l3n s LEU 42 CO 0.00 -0.58 0.11 -1.00 0.02 0.00 0.00 176.35 174.90 1l3n s HIS 43 N -1.98 -0.09 -0.31 0.29 3.76 0.96 -2.26 115.29 115.67 1l3n s HIS 43 Ca 0.64 0.23 -0.36 0.00 -0.15 0.00 0.00 55.06 55.42 1l3n s HIS 43 Cb -0.15 0.02 -0.16 0.00 1.11 0.00 0.00 32.58 33.41 1l3n s HIS 43 CO 0.19 -0.09 1.17 0.41 -0.85 0.00 0.00 174.74 175.57 1l3n n GLY 44 N 2.82 0.07 2.78 -2.22 0.00 0.70 -0.85 105.19 108.48 1l3n n GLY 44 Ca -0.14 0.75 -0.19 0.00 0.00 0.00 0.00 46.02 46.45 1l3n n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1l3n s PHE 45 N 1.85 -0.15 0.29 1.61 2.19 0.50 -0.83 117.98 123.45 1l3n s PHE 45 Ca 0.80 0.35 -0.07 0.00 0.33 0.00 0.00 56.93 58.34 1l3n s PHE 45 Cb -1.14 -0.36 -0.00 0.00 -1.31 0.00 0.00 43.02 40.21 1l3n s PHE 45 CO 0.60 -0.41 0.47 -1.01 1.83 0.00 0.00 175.22 176.70 1l3n s HIS 46 N 2.28 0.72 -0.79 10.12 0.09 -1.19 -0.67 115.29 125.84 1l3n s HIS 46 Ca 0.04 -1.03 -0.00 0.00 -0.00 0.00 0.00 55.06 54.07 1l3n s HIS 46 Cb -0.14 0.05 0.20 0.00 -0.00 0.00 0.00 32.58 32.69 1l3n s HIS 46 CO -0.08 -1.06 0.64 0.14 -0.00 0.00 0.00 174.74 174.37 1l3n s VAL 47 N -3.50 3.85 0.39 -0.90 -7.23 0.01 -2.54 120.40 110.48 1l3n s VAL 47 Ca 0.27 -3.81 -0.27 0.00 -1.81 0.00 0.00 61.98 56.36 1l3n s VAL 47 Cb -0.00 -3.44 -0.11 0.00 0.56 0.00 0.00 36.38 33.39 1l3n s VAL 47 CO 0.14 -1.03 1.31 1.41 -0.31 0.00 0.00 175.10 176.63 1l3n n HIS 48 N 2.45 2.30 0.05 2.82 8.25 0.15 -4.71 115.22 126.53 1l3n n HIS 48 Ca 0.18 0.51 -0.12 0.00 -0.26 0.00 0.00 57.72 58.04 1l3n n HIS 48 Cb 0.36 -2.41 -0.08 0.00 1.12 0.00 0.00 29.99 28.98 1l3n n HIS 48 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1l3n h GLU 49 N 2.37 -0.18 -6.59 -0.41 4.57 -1.78 -2.89 114.58 109.66 1l3n h GLU 49 Ca -0.48 0.01 -0.57 0.00 -1.18 0.00 0.00 59.36 57.15 1l3n h GLU 49 Cb 1.28 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.86 1l3n h GLU 49 CO 0.61 0.27 1.03 -0.06 -1.18 0.00 0.00 179.01 179.69 1l3n s PHE 50 N -3.74 2.52 0.00 0.92 0.08 -0.92 -4.72 117.98 112.12 1l3n s PHE 50 Ca -0.14 0.69 -0.03 0.00 0.12 0.00 0.00 56.93 57.56 1l3n s PHE 50 Cb 0.01 -4.35 -0.15 0.00 -0.57 0.00 0.00 43.02 37.96 1l3n s PHE 50 CO 0.54 -1.77 2.29 0.41 -0.10 0.00 0.00 175.22 176.59 1l3n n GLY 51 N 5.01 2.18 3.87 4.36 0.00 -1.26 -4.45 105.19 114.90 1l3n n GLY 51 Ca 0.15 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 1l3n n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1l3n s ASP 52 N 2.33 6.26 0.00 1.61 2.15 -1.26 -4.83 116.67 122.92 1l3n s ASP 52 Ca 0.36 0.36 0.00 0.00 0.43 0.00 0.00 52.55 53.71 1l3n s ASP 52 Cb 0.17 -1.97 0.00 0.00 -0.30 0.00 0.00 42.92 40.83 1l3n s ASP 52 CO 0.00 0.33 0.12 0.59 -0.17 0.00 0.00 175.17 176.04 1l3n n ASN 53 N 1.42 0.03 0.22 -0.34 5.03 -1.26 -3.93 115.26 116.43 1l3n n ASN 53 Ca -0.15 -1.01 0.06 0.00 0.87 0.00 0.00 54.58 54.36 1l3n n ASN 53 Cb 0.54 0.00 0.55 0.00 -1.02 0.00 0.00 39.78 39.85 1l3n n ASN 53 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.26 176.17 1l3n h THR 54 N 1.39 1.08 0.00 3.41 2.02 -1.97 0.29 112.91 119.13 1l3n h THR 54 Ca 0.00 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1l3n h THR 54 Cb 0.59 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1l3n h THR 54 CO 0.00 0.10 0.00 0.00 0.37 0.00 0.00 175.52 175.99 1l3n h ALA 55 N 1.88 1.00 -1.33 6.16 0.00 -1.96 -3.48 119.26 121.53 1l3n h ALA 55 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1l3n h ALA 55 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1l3n h ALA 55 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1l3n n GLY 56 N 0.80 0.17 4.07 0.00 0.00 0.10 -4.62 105.19 105.72 1l3n n GLY 56 Ca 0.04 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 1l3n n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l3n n THR 58 N -4.42 0.08 -0.89 0.00 -1.04 -1.26 -4.78 114.28 101.97 1l3n n THR 58 Ca -0.14 0.03 0.04 0.00 -2.04 0.00 0.00 64.05 61.93 1l3n n THR 58 Cb 0.60 -0.78 0.38 0.00 -1.82 0.00 0.00 70.33 68.71 1l3n n THR 58 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1l3n n SER 59 N -2.85 5.47 0.00 8.00 2.88 -1.26 -4.52 113.62 121.34 1l3n n SER 59 Ca 0.00 -2.98 0.03 0.00 -1.33 0.00 0.00 58.87 54.59 1l3n n SER 59 Cb 0.10 -0.70 0.19 0.00 -0.75 0.00 0.00 64.21 63.05 1l3n n SER 59 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1l3n n ALA 60 N 0.44 1.84 -0.00 -1.46 0.00 -1.25 -4.82 120.51 115.26 1l3n n ALA 60 Ca 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1l3n n ALA 60 Cb 1.23 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1l3n n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1l3n n GLY 61 N -0.32 -2.49 2.44 0.00 0.00 -1.26 -2.17 105.19 101.38 1l3n n GLY 61 Ca 0.05 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.66 1l3n n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1l3n n PRO 62 N 0.07 3.25 -2.99 1.61 -0.04 -1.26 -4.47 135.00 131.17 1l3n n PRO 62 Ca 0.00 -2.11 -0.13 0.00 -0.04 0.00 0.00 63.50 61.23 1l3n n PRO 62 Cb 0.00 -2.80 0.06 0.00 -0.04 0.00 0.00 33.50 30.72 1l3n n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1l3n n HIS 63 N 4.12 -2.08 -0.71 0.54 8.25 -1.26 -4.55 115.22 119.52 1l3n n HIS 63 Ca 0.69 0.73 -0.16 0.00 -0.26 0.00 0.00 57.72 58.72 1l3n n HIS 63 Cb 0.24 -3.90 -0.06 0.00 1.12 0.00 0.00 29.99 27.39 1l3n n HIS 63 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1l3n n PHE 64 N -2.98 0.77 -2.33 4.41 3.72 -1.26 -4.92 117.46 114.87 1l3n n PHE 64 Ca -0.06 -1.52 -0.38 0.00 -0.05 0.00 0.00 57.45 55.43 1l3n n PHE 64 Cb 0.60 -1.46 -0.02 0.00 -0.94 0.00 0.00 39.48 37.66 1l3n n PHE 64 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1l3n s ASN 65 N 2.85 6.53 0.16 4.37 2.20 -1.26 -4.94 114.94 124.85 1l3n s ASN 65 Ca 0.42 2.29 -0.07 0.00 -0.94 0.00 0.00 52.86 54.56 1l3n s ASN 65 Cb 0.15 -2.61 0.00 0.00 -2.00 0.00 0.00 41.25 36.79 1l3n s ASN 65 CO -0.02 -0.66 1.44 1.55 -2.94 0.00 0.00 177.10 176.46 1l3n h PRO 66 N 2.57 0.69 -2.91 3.55 0.13 -1.94 -3.33 132.00 130.77 1l3n h PRO 66 Ca -0.49 -0.46 -0.41 0.00 -0.87 0.00 0.00 66.00 63.77 1l3n h PRO 66 Cb 1.23 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 1l3n h PRO 66 CO 0.62 1.08 2.21 1.28 -0.23 0.00 0.00 178.00 182.96 1l3n n LEU 67 N -3.96 6.08 -4.51 1.56 4.77 -1.26 -4.90 117.00 114.79 1l3n n LEU 67 Ca -0.04 -3.34 -0.30 0.00 -0.03 0.00 0.00 56.01 52.29 1l3n n LEU 67 Cb 0.64 -1.27 -0.18 0.00 -2.33 0.00 0.00 43.42 40.29 1l3n n LEU 67 CO 0.49 1.34 2.10 -1.54 -1.33 0.00 0.00 177.39 178.45 1l3n n SER 68 N 3.49 -0.35 -4.62 -1.43 3.41 -1.25 -4.88 113.62 108.00 1l3n n SER 68 Ca 0.54 -0.28 -0.28 0.00 -0.26 0.00 0.00 58.87 58.58 1l3n n SER 68 Cb 0.35 -0.81 -0.10 0.00 -0.26 0.00 0.00 64.21 63.38 1l3n n SER 68 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1l3n s ARG 69 N 8.04 1.98 -0.44 4.33 0.52 -1.26 -5.11 118.95 127.00 1l3n s ARG 69 Ca 1.30 -2.16 -0.13 0.00 -0.52 0.00 0.00 55.73 54.22 1l3n s ARG 69 Cb -0.96 -1.50 0.06 0.00 0.52 0.00 0.00 34.95 33.07 1l3n s ARG 69 CO 0.49 -0.15 0.33 0.15 0.02 0.00 0.00 175.30 176.15 1l3n s LYS 70 N -3.77 2.88 0.00 3.54 1.02 -1.23 -4.87 119.74 117.31 1l3n s LYS 70 Ca 0.28 -1.30 0.00 0.00 0.02 0.00 0.00 55.97 54.97 1l3n s LYS 70 Cb 0.08 -3.99 0.00 0.00 -0.52 0.00 0.00 37.83 33.40 1l3n s LYS 70 CO 0.14 -0.94 0.00 1.58 -0.92 0.00 0.00 175.35 175.21 1l3n n HIS 71 N 5.11 0.00 -1.14 3.18 -0.00 0.11 -4.57 115.22 117.92 1l3n n HIS 71 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.60 1l3n n HIS 71 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.43 1l3n n HIS 71 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1l3n n GLY 72 N 0.00 4.36 0.00 1.57 0.00 0.50 -0.83 105.19 110.79 1l3n n GLY 72 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1l3n n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l3n n GLY 73 N 5.00 1.81 0.00 -0.02 0.00 -1.26 -4.60 105.19 106.11 1l3n n GLY 73 Ca 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 46.02 45.18 1l3n n GLY 73 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1l3n n PRO 74 N 0.00 0.08 -0.00 1.61 -0.04 -1.25 -0.62 135.00 134.78 1l3n n PRO 74 Ca 0.00 0.14 0.11 0.00 -0.04 0.00 0.00 63.50 63.71 1l3n n PRO 74 Cb 0.00 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.82 1l3n n PRO 74 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1l3n n LYS 75 N -1.16 0.48 -3.96 0.54 5.02 -1.26 -4.99 118.16 112.83 1l3n n LYS 75 Ca 0.02 -0.13 -0.23 0.00 -2.02 0.00 0.00 58.31 55.95 1l3n n LYS 75 Cb 0.02 -1.53 -0.06 0.00 -0.02 0.00 0.00 35.03 33.44 1l3n n LYS 75 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1l3n s ASP 76 N -4.17 4.62 0.05 4.39 -1.08 0.21 -5.03 116.67 115.67 1l3n s ASP 76 Ca -0.03 -0.96 -0.07 0.00 -0.52 0.00 0.00 52.55 50.97 1l3n s ASP 76 Cb 0.14 -0.52 -0.30 0.00 -1.46 0.00 0.00 42.92 40.78 1l3n s ASP 76 CO 0.89 -0.56 1.06 -0.08 0.52 0.00 0.00 175.17 176.99 1l3n h GLU 77 N 1.32 0.33 -1.22 4.34 4.22 -1.94 -3.39 114.58 118.24 1l3n h GLU 77 Ca -0.42 -0.57 -0.14 0.00 0.08 0.00 0.00 59.36 58.31 1l3n h GLU 77 Cb 1.26 0.21 -0.08 0.00 0.50 0.00 0.00 28.75 30.64 1l3n h GLU 77 CO 0.66 1.26 0.18 0.39 -2.18 0.00 0.00 179.01 179.32 1l3n n GLU 78 N -3.56 1.34 -2.07 1.92 1.02 -1.26 -4.84 120.64 113.19 1l3n n GLU 78 Ca -0.12 -0.77 -0.42 0.00 -0.02 0.00 0.00 57.16 55.84 1l3n n GLU 78 Cb 1.05 -1.30 -0.03 0.00 -0.02 0.00 0.00 31.44 31.14 1l3n n GLU 78 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1l3n s ARG 79 N -0.86 4.30 0.00 3.49 1.70 -1.26 -0.37 118.95 125.94 1l3n s ARG 79 Ca 0.15 2.22 0.00 0.00 -0.47 0.00 0.00 55.73 57.63 1l3n s ARG 79 Cb 0.12 -3.15 0.00 0.00 -0.57 0.00 0.00 34.95 31.35 1l3n s ARG 79 CO 0.02 -0.40 0.65 0.72 -1.08 0.00 0.00 175.30 175.20 1l3n n HIS 80 N 2.80 0.00 0.00 5.89 8.25 -1.26 -4.81 115.22 126.09 1l3n n HIS 80 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1l3n n HIS 80 Cb 0.41 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.06 1l3n n HIS 80 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1l3n n VAL 81 N -1.89 0.00 -1.58 1.59 0.31 -1.26 -4.78 118.33 110.72 1l3n n VAL 81 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 1l3n n VAL 81 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 1l3n n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1l3n n GLY 82 N 0.00 4.48 3.48 2.92 0.00 -1.26 -4.79 105.19 110.02 1l3n n GLY 82 Ca 0.00 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 1l3n n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1l3n s ASP 83 N 2.00 6.27 -0.06 1.61 1.01 -1.26 -0.81 116.67 125.44 1l3n s ASP 83 Ca 0.60 -0.66 -0.04 0.00 0.71 0.00 0.00 52.55 53.17 1l3n s ASP 83 Cb 0.17 -2.37 -0.27 0.00 1.01 0.00 0.00 42.92 41.45 1l3n s ASP 83 CO -0.07 -1.10 0.62 -0.07 0.21 0.00 0.00 175.17 174.76 1l3n h LEU 84 N 10.45 0.39 0.00 1.23 3.38 -1.74 -3.34 115.31 125.69 1l3n h LEU 84 Ca -0.27 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.01 1l3n h LEU 84 Cb 1.08 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1l3n h LEU 84 CO 1.04 1.60 0.00 0.61 0.09 0.00 0.00 178.44 181.79 1l3n n GLY 85 N 1.81 0.88 3.11 0.83 0.00 0.15 -4.35 105.19 107.61 1l3n n GLY 85 Ca -0.24 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 1l3n n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1l3n s ASN 86 N -4.00 4.93 -0.08 1.61 -0.87 -1.26 -0.37 114.94 114.91 1l3n s ASN 86 Ca 0.00 -1.75 -0.16 0.00 -1.57 0.00 0.00 52.86 49.38 1l3n s ASN 86 Cb 0.00 -1.71 -0.05 0.00 -0.02 0.00 0.00 41.25 39.47 1l3n s ASN 86 CO 0.00 -0.37 0.42 0.68 -2.57 0.00 0.00 177.10 175.26 1l3n s VAL 87 N 1.11 5.14 -0.38 1.60 -7.23 -0.03 -4.79 120.40 115.82 1l3n s VAL 87 Ca 0.03 0.85 -0.14 0.00 -1.81 0.00 0.00 61.98 60.90 1l3n s VAL 87 Cb -0.21 -3.75 0.01 0.00 0.56 0.00 0.00 36.38 32.99 1l3n s VAL 87 CO -0.04 0.43 0.27 -0.89 -0.31 0.00 0.00 175.10 174.56 1l3n s THR 88 N -0.05 5.24 -0.09 5.32 2.01 -1.26 -0.02 115.64 126.78 1l3n s THR 88 Ca 0.24 -0.51 -0.21 0.00 0.31 0.00 0.00 61.69 61.52 1l3n s THR 88 Cb -0.15 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1l3n s THR 88 CO 0.10 -0.20 0.61 0.00 -0.69 0.00 0.00 174.62 174.45 1l3n s ALA 89 N 1.69 3.40 1.20 7.40 0.00 0.40 -3.96 121.76 131.89 1l3n s ALA 89 Ca 0.05 -0.01 -0.16 0.00 0.00 0.00 0.00 51.96 51.85 1l3n s ALA 89 Cb -0.18 -2.84 0.25 0.00 0.00 0.00 0.00 23.12 20.35 1l3n s ALA 89 CO 0.10 -0.08 0.67 -0.25 0.00 0.00 0.00 175.76 176.20 1l3n n ASP 90 N 3.79 -2.26 -0.04 0.00 8.00 0.14 -1.24 116.55 124.94 1l3n n ASP 90 Ca -0.04 -0.25 0.20 0.00 0.71 0.00 0.00 54.79 55.42 1l3n n ASP 90 Cb 0.51 -1.12 0.67 0.00 -0.02 0.00 0.00 41.12 41.16 1l3n n ASP 90 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1l3n h LYS 91 N -2.64 0.05 0.00 -1.24 2.10 -1.95 0.13 116.57 113.03 1l3n h LYS 91 Ca -0.58 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.06 1l3n h LYS 91 Cb 1.33 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1l3n h LYS 91 CO 0.44 0.04 0.00 -0.25 -2.00 0.00 0.00 179.45 177.67 1l3n n ASP 92 N -4.38 0.00 -0.18 7.07 8.00 -1.26 -4.66 116.55 121.15 1l3n n ASP 92 Ca 0.11 -0.65 -0.02 0.00 0.71 0.00 0.00 54.79 54.94 1l3n n ASP 92 Cb 0.63 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 41.62 1l3n n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1l3n n GLY 93 N 0.98 0.54 3.34 0.44 0.00 0.45 -4.48 105.19 106.46 1l3n n GLY 93 Ca 0.19 -0.98 -0.45 0.00 0.00 0.00 0.00 46.02 44.79 1l3n n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1l3n s VAL 94 N -2.08 5.20 -0.26 1.61 1.01 -1.25 -0.23 120.40 124.39 1l3n s VAL 94 Ca 0.00 -1.30 -0.11 0.00 0.00 0.00 0.00 61.98 60.56 1l3n s VAL 94 Cb 0.00 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 1l3n s VAL 94 CO 0.00 -0.73 0.20 0.00 0.00 0.00 0.00 175.10 174.57 1l3n s ALA 95 N 1.61 3.56 0.28 5.51 0.00 0.50 -0.68 121.76 132.54 1l3n s ALA 95 Ca 0.04 -0.98 -0.26 0.00 0.00 0.00 0.00 51.96 50.75 1l3n s ALA 95 Cb -0.27 -2.44 -0.09 0.00 0.00 0.00 0.00 23.12 20.31 1l3n s ALA 95 CO 0.05 -0.42 0.90 0.16 0.00 0.00 0.00 175.76 176.44 1l3n s ASP 96 N 1.48 7.37 -0.11 0.00 -4.77 -1.25 -0.55 116.67 118.83 1l3n s ASP 96 Ca 0.08 1.78 0.02 0.00 -3.30 0.00 0.00 52.55 51.14 1l3n s ASP 96 Cb -0.15 -2.55 -0.01 0.00 -1.09 0.00 0.00 42.92 39.12 1l3n s ASP 96 CO 0.08 0.02 -0.20 -0.69 0.70 0.00 0.00 175.17 175.09 1l3n s VAL 97 N -1.47 2.43 -0.48 2.11 1.01 0.19 -4.52 120.40 119.67 1l3n s VAL 97 Ca 0.46 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.62 1l3n s VAL 97 Cb -0.20 -1.97 0.24 0.00 0.00 0.00 0.00 36.38 34.45 1l3n s VAL 97 CO 0.25 0.55 0.86 -1.20 0.00 0.00 0.00 175.10 175.56 1l3n n SER 98 N 3.54 -2.60 -4.74 3.32 7.64 -1.24 -0.46 113.62 119.07 1l3n n SER 98 Ca -0.19 -3.26 -0.24 0.00 1.01 0.00 0.00 58.87 56.19 1l3n n SER 98 Cb 0.53 1.61 -0.06 0.00 -1.01 0.00 0.00 64.21 65.28 1l3n n SER 98 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1l3n s ILE 99 N 0.51 4.06 -0.04 0.44 1.09 0.04 -4.97 121.20 122.34 1l3n s ILE 99 Ca 0.32 -1.46 0.02 0.00 -1.10 0.00 0.00 60.65 58.43 1l3n s ILE 99 Cb 0.23 -3.13 0.01 0.00 -1.06 0.00 0.00 42.46 38.50 1l3n s ILE 99 CO -0.23 -0.25 -0.09 -1.83 -0.10 0.00 0.00 174.94 172.44 1l3n s GLU 100 N -3.45 1.06 -0.02 2.79 -1.05 -1.26 -0.18 118.70 116.59 1l3n s GLU 100 Ca 0.31 -0.28 0.01 0.00 -0.15 0.00 0.00 54.97 54.86 1l3n s GLU 100 Cb -0.08 -0.97 0.01 0.00 -0.44 0.00 0.00 34.13 32.64 1l3n s GLU 100 CO 0.22 0.06 -0.03 0.34 0.95 0.00 0.00 175.26 176.79 1l3n s ASP 101 N 0.43 0.60 -0.14 0.83 -1.08 -0.04 -4.98 116.67 112.30 1l3n s ASP 101 Ca -0.07 -0.08 0.16 0.00 -0.52 0.00 0.00 52.55 52.04 1l3n s ASP 101 Cb -0.11 -0.19 0.65 0.00 -1.46 0.00 0.00 42.92 41.81 1l3n s ASP 101 CO 0.01 -0.01 1.56 -1.20 0.52 0.00 0.00 175.17 176.06 1l3n n SER 102 N 3.50 4.55 -0.08 -0.34 7.64 -1.26 -0.55 113.62 127.08 1l3n n SER 102 Ca -0.19 -2.62 0.00 0.00 1.01 0.00 0.00 58.87 57.07 1l3n n SER 102 Cb 0.54 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1l3n n SER 102 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1l3n n VAL 103 N 0.58 0.20 -4.84 0.44 3.14 -1.26 -4.99 118.33 111.61 1l3n n VAL 103 Ca 0.24 -0.21 -0.33 0.00 -2.96 0.00 0.00 64.34 61.07 1l3n n VAL 103 Cb 0.90 0.82 -0.13 0.00 -1.06 0.00 0.00 33.84 34.36 1l3n n VAL 103 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1l3n s ILE 104 N -0.23 3.09 -0.04 1.55 1.09 -1.26 -4.95 121.20 120.44 1l3n s ILE 104 Ca 0.01 -0.69 -0.01 0.00 -1.10 0.00 0.00 60.65 58.86 1l3n s ILE 104 Cb 0.01 -2.24 0.03 0.00 -1.06 0.00 0.00 42.46 39.19 1l3n s ILE 104 CO 0.00 0.57 0.04 -0.44 -0.10 0.00 0.00 174.94 175.01 1l3n s SER 105 N -0.32 0.80 0.30 3.58 0.01 -1.26 -4.10 113.70 112.71 1l3n s SER 105 Ca 0.03 0.05 0.08 0.00 1.31 0.00 0.00 55.95 57.42 1l3n s SER 105 Cb -0.13 -0.15 0.47 0.00 0.21 0.00 0.00 66.02 66.42 1l3n s SER 105 CO 0.03 -0.20 1.69 -0.07 0.41 0.00 0.00 173.24 175.10 1l3n h LEU 106 N 8.01 0.16 -7.26 2.44 3.38 -1.92 0.56 115.31 120.69 1l3n h LEU 106 Ca -0.25 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.54 1l3n h LEU 106 Cb 1.12 -0.05 -0.25 0.00 0.09 0.00 0.00 40.66 41.58 1l3n h LEU 106 CO 0.28 0.60 -0.24 -0.44 0.09 0.00 0.00 178.44 178.73 1l3n s SER 107 N -6.89 -0.49 0.00 -0.43 0.01 -1.26 -3.02 113.70 101.63 1l3n s SER 107 Ca -0.04 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.12 1l3n s SER 107 Cb 0.13 0.85 0.00 0.00 0.21 0.00 0.00 66.02 67.21 1l3n s SER 107 CO 0.76 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.85 1l3n n GLY 108 N 3.44 -0.05 1.55 3.44 0.00 -1.26 -4.76 105.19 107.55 1l3n n GLY 108 Ca -0.17 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1l3n n GLY 108 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1l3n n ASP 109 N 0.00 -0.02 0.02 1.61 -0.08 -1.26 -4.96 116.55 111.85 1l3n n ASP 109 Ca 0.00 0.01 -0.16 0.00 -1.51 0.00 0.00 54.79 53.12 1l3n n ASP 109 Cb 0.00 0.40 -0.06 0.00 2.34 0.00 0.00 41.12 43.81 1l3n n ASP 109 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 1l3n h HIS 110 N 0.00 0.91 -6.88 -0.67 -0.00 -1.91 -3.47 115.15 103.13 1l3n h HIS 110 Ca 0.00 -0.44 -0.58 0.00 -0.00 0.00 0.00 60.37 59.35 1l3n h HIS 110 Cb 0.00 -0.13 -0.08 0.00 -0.00 0.00 0.00 27.41 27.20 1l3n h HIS 110 CO 0.00 1.26 -0.98 0.45 -0.00 0.00 0.00 177.93 178.66 1l3n n SER 111 N -3.87 -1.92 -0.57 2.45 2.88 -0.34 -4.77 113.62 107.48 1l3n n SER 111 Ca -0.08 -1.24 0.00 0.00 -1.33 0.00 0.00 58.87 56.23 1l3n n SER 111 Cb 0.79 -1.95 0.00 0.00 -0.75 0.00 0.00 64.21 62.30 1l3n n SER 111 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1l3n n ILE 112 N -4.74 0.10 -1.74 2.46 -0.00 0.04 -4.80 119.36 110.69 1l3n n ILE 112 Ca -0.21 0.00 -0.40 0.00 -0.00 0.00 0.00 62.75 62.13 1l3n n ILE 112 Cb 0.63 -0.43 0.02 0.00 -0.00 0.00 0.00 39.64 39.86 1l3n n ILE 112 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1l3n n ILE 113 N 0.22 2.71 -1.04 7.28 2.08 -1.26 -2.75 119.36 126.59 1l3n n ILE 113 Ca 0.00 -0.50 -0.02 0.00 0.56 0.00 0.00 62.75 62.79 1l3n n ILE 113 Cb 0.20 -1.74 -0.01 0.00 -0.75 0.00 0.00 39.64 37.35 1l3n n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1l3n n GLY 114 N 0.67 0.52 3.75 7.39 0.00 -0.17 -4.99 105.19 112.36 1l3n n GLY 114 Ca 0.06 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 1l3n n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1l3n s ARG 115 N -1.23 0.08 -0.13 1.61 1.81 -1.11 -4.19 118.95 115.80 1l3n s ARG 115 Ca 0.00 -0.02 0.02 0.00 -1.72 0.00 0.00 55.73 54.01 1l3n s ARG 115 Cb 0.00 -1.74 -0.00 0.00 -0.45 0.00 0.00 34.95 32.75 1l3n s ARG 115 CO 0.00 -2.85 -0.19 0.99 -0.68 0.00 0.00 175.30 172.56 1l3n s THR 116 N -3.33 2.43 -0.04 0.02 2.01 -1.09 -1.22 115.64 114.42 1l3n s THR 116 Ca 0.69 -0.87 -0.07 0.00 0.31 0.00 0.00 61.69 61.75 1l3n s THR 116 Cb -0.10 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 1l3n s THR 116 CO 0.54 0.54 0.22 -0.76 -0.69 0.00 0.00 174.62 174.48 1l3n s LEU 117 N 0.52 4.39 -0.04 4.42 1.43 0.56 0.30 118.68 130.25 1l3n s LEU 117 Ca -0.12 0.53 0.02 0.00 -1.03 0.00 0.00 54.13 53.53 1l3n s LEU 117 Cb -0.17 -2.44 0.01 0.00 0.03 0.00 0.00 46.19 43.63 1l3n s LEU 117 CO 0.05 0.32 -0.10 -0.69 0.23 0.00 0.00 176.35 176.16 1l3n s VAL 118 N -1.18 0.89 -0.25 -1.59 1.01 -1.05 -0.79 120.40 117.44 1l3n s VAL 118 Ca 0.23 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 1l3n s VAL 118 Cb -0.13 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 1l3n s VAL 118 CO 0.12 0.29 0.20 0.54 0.00 0.00 0.00 175.10 176.25 1l3n s VAL 119 N 0.51 5.33 0.27 2.92 0.11 -0.25 -3.20 120.40 126.09 1l3n s VAL 119 Ca -0.09 0.24 0.06 0.00 -2.93 0.00 0.00 61.98 59.26 1l3n s VAL 119 Cb -0.13 -3.54 -0.03 0.00 -1.53 0.00 0.00 36.38 31.16 1l3n s VAL 119 CO 0.02 0.31 0.36 -1.00 -3.33 0.00 0.00 175.10 171.46 1l3n s HIS 120 N 1.29 3.30 0.12 1.54 3.76 -0.01 -2.75 115.29 122.54 1l3n s HIS 120 Ca 0.09 -0.09 -0.21 0.00 -0.15 0.00 0.00 55.06 54.69 1l3n s HIS 120 Cb -0.14 -1.67 -0.04 0.00 1.11 0.00 0.00 32.58 31.84 1l3n s HIS 120 CO 0.07 0.33 1.70 1.49 -0.85 0.00 0.00 174.74 177.47 1l3n h GLU 121 N 1.14 -0.07 -6.12 1.40 4.81 -0.63 -3.30 114.58 111.81 1l3n h GLU 121 Ca -0.50 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.19 1l3n h GLU 121 Cb 1.24 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.55 1l3n h GLU 121 CO 0.59 -0.05 -0.58 0.15 -0.73 0.00 0.00 179.01 178.39 1l3n s LYS 122 N -6.18 2.33 0.38 1.92 1.02 0.39 -4.85 119.74 114.75 1l3n s LYS 122 Ca -0.14 -1.52 -0.27 0.00 0.02 0.00 0.00 55.97 54.07 1l3n s LYS 122 Cb 0.10 -2.15 -0.11 0.00 -0.52 0.00 0.00 37.83 35.14 1l3n s LYS 122 CO 0.68 0.20 1.29 0.00 -0.92 0.00 0.00 175.35 176.59 1l3n n ALA 123 N -1.05 1.34 -1.80 5.17 0.00 -0.96 -0.21 120.51 123.00 1l3n n ALA 123 Ca -0.04 0.31 -0.35 0.00 0.00 0.00 0.00 53.44 53.36 1l3n n ALA 123 Cb 0.61 -2.27 -0.05 0.00 0.00 0.00 0.00 19.45 17.74 1l3n n ALA 123 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1l3n s ASP 124 N -0.41 6.68 -0.08 0.00 -1.08 -1.26 -3.87 116.67 116.66 1l3n s ASP 124 Ca 0.58 1.91 -0.02 0.00 -0.52 0.00 0.00 52.55 54.50 1l3n s ASP 124 Cb -0.53 -2.57 -0.26 0.00 -1.46 0.00 0.00 42.92 38.10 1l3n s ASP 124 CO 0.60 -0.54 0.54 -0.78 0.52 0.00 0.00 175.17 175.51 1l3n h ASP 125 N 2.09 0.34 -3.58 -0.34 3.58 -1.83 -3.47 116.42 113.21 1l3n h ASP 125 Ca -0.49 -0.67 -0.27 0.00 0.42 0.00 0.00 57.03 56.02 1l3n h ASP 125 Cb 1.21 -0.11 0.06 0.00 1.72 0.00 0.00 39.33 42.21 1l3n h ASP 125 CO 0.61 1.59 -0.43 0.18 -2.88 0.00 0.00 179.24 178.31 1l3n n LEU 126 N -3.39 -2.55 0.00 2.28 4.77 -1.26 -4.07 117.00 112.79 1l3n n LEU 126 Ca -0.25 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1l3n n LEU 126 Cb 1.05 -2.20 0.00 0.00 -2.33 0.00 0.00 43.42 39.94 1l3n n LEU 126 CO 0.45 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1l3n n GLY 127 N -1.37 2.03 1.92 -0.72 0.00 -0.01 -4.23 105.19 102.81 1l3n n GLY 127 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 1l3n n GLY 127 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1l3n n LYS 128 N -0.36 1.95 0.02 1.61 2.85 -1.26 -4.23 118.16 118.75 1l3n n LYS 128 Ca 0.00 -2.21 0.12 0.00 -1.05 0.00 0.00 58.31 55.16 1l3n n LYS 128 Cb 0.00 -1.87 0.19 0.00 -0.65 0.00 0.00 35.03 32.70 1l3n n LYS 128 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1l3n n GLY 129 N -0.65 -1.29 3.95 2.58 0.00 -1.26 -4.98 105.19 103.53 1l3n n GLY 129 Ca 0.44 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1l3n n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l3n n GLY 130 N 1.43 -0.36 3.63 -0.02 0.00 -1.26 -4.84 105.19 103.77 1l3n n GLY 130 Ca 0.04 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 1l3n n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1l3n s ASN 131 N -3.82 0.29 0.27 1.61 2.20 -1.26 -4.99 114.94 109.23 1l3n s ASN 131 Ca 0.36 -1.17 -0.02 0.00 -0.94 0.00 0.00 52.86 51.09 1l3n s ASN 131 Cb -0.19 0.70 0.43 0.00 -2.00 0.00 0.00 41.25 40.20 1l3n s ASN 131 CO 0.86 -1.36 1.87 -0.08 -2.94 0.00 0.00 177.10 175.45 1l3n h GLU 132 N 2.11 1.09 -0.53 3.55 4.81 -1.94 0.19 114.58 123.86 1l3n h GLU 132 Ca -0.28 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 58.84 1l3n h GLU 132 Cb 1.25 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 1l3n h GLU 132 CO 0.37 0.72 0.16 1.49 -0.73 0.00 0.00 179.01 181.03 1l3n h GLU 133 N 1.12 0.79 -0.84 1.92 4.81 -1.97 -3.12 114.58 117.29 1l3n h GLU 133 Ca 0.44 -0.14 0.16 0.00 -0.13 0.00 0.00 59.36 59.70 1l3n h GLU 133 Cb 0.24 -0.13 -0.10 0.00 0.63 0.00 0.00 28.75 29.39 1l3n h GLU 133 CO -0.19 0.69 0.40 0.66 -0.73 0.00 0.00 179.01 179.84 1l3n h SER 134 N 0.77 0.44 1.02 1.04 4.64 0.46 0.38 113.55 122.30 1l3n h SER 134 Ca 0.18 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1l3n h SER 134 Cb 0.23 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1l3n h SER 134 CO -0.01 0.15 -0.11 1.07 -0.87 0.00 0.00 176.83 177.06 1l3n n THR 135 N -4.94 0.15 0.01 2.95 5.66 -1.18 -3.44 114.28 113.50 1l3n n THR 135 Ca 0.18 -0.08 -0.03 0.00 -3.05 0.00 0.00 64.05 61.08 1l3n n THR 135 Cb 0.49 -0.39 -0.01 0.00 -1.55 0.00 0.00 70.33 68.87 1l3n n THR 135 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1l3n n LYS 136 N -1.70 0.11 -0.02 1.09 5.02 0.83 -0.71 118.16 122.78 1l3n n LYS 136 Ca 0.06 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1l3n n LYS 136 Cb 0.36 -0.69 0.01 0.00 -0.02 0.00 0.00 35.03 34.69 1l3n n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1l3n n THR 137 N -3.63 0.59 0.00 -0.18 -2.24 0.94 -4.45 114.28 105.31 1l3n n THR 137 Ca -0.04 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1l3n n THR 137 Cb 0.18 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1l3n n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1l3n n GLY 138 N -0.32 1.72 1.90 3.38 0.00 0.96 -3.42 105.19 109.41 1l3n n GLY 138 Ca 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 1l3n n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1l3n n ASN 139 N 4.89 -0.82 0.20 1.61 2.85 -1.26 -1.54 115.26 121.20 1l3n n ASN 139 Ca 0.00 -1.61 0.09 0.00 -0.11 0.00 0.00 54.58 52.95 1l3n n ASN 139 Cb 0.00 0.36 0.28 0.00 1.24 0.00 0.00 39.78 41.66 1l3n n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1l3n h ALA 140 N 0.47 0.91 -0.41 5.20 0.00 -1.66 -3.43 119.26 120.34 1l3n h ALA 140 Ca -0.28 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1l3n h ALA 140 Cb 1.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1l3n h ALA 140 CO -0.13 0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.81 1l3n n GLY 141 N 0.71 -0.32 3.71 0.00 0.00 -1.26 -0.47 105.19 107.55 1l3n n GLY 141 Ca 0.02 -1.06 -0.56 0.00 0.00 0.00 0.00 46.02 44.42 1l3n n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1l3n n SER 142 N -1.07 2.57 -4.58 1.61 7.64 -1.26 -4.48 113.62 114.04 1l3n n SER 142 Ca 0.00 1.06 -0.18 0.00 1.01 0.00 0.00 58.87 60.75 1l3n n SER 142 Cb 0.00 -1.18 -0.10 0.00 -1.01 0.00 0.00 64.21 61.92 1l3n n SER 142 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1l3n s ARG 143 N 3.60 1.53 0.20 1.43 0.52 -1.26 -0.24 118.95 124.72 1l3n s ARG 143 Ca 0.97 -0.62 -0.18 0.00 -0.52 0.00 0.00 55.73 55.39 1l3n s ARG 143 Cb -1.00 -5.05 0.18 0.00 0.52 0.00 0.00 34.95 29.60 1l3n s ARG 143 CO 0.63 -5.10 1.59 -0.07 0.02 0.00 0.00 175.30 172.37 1l3n h LEU 144 N 21.15 -1.00 -7.32 2.53 3.38 -1.83 -3.45 115.31 128.78 1l3n h LEU 144 Ca 0.07 0.23 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 1l3n h LEU 144 Cb 0.98 0.54 -0.18 0.00 0.09 0.00 0.00 40.66 42.09 1l3n h LEU 144 CO 1.07 -0.28 -0.07 0.00 0.09 0.00 0.00 178.44 179.24 1l3n s ALA 145 N -6.08 -1.13 0.10 1.53 0.00 -1.12 -3.65 121.76 111.41 1l3n s ALA 145 Ca -0.14 0.53 -0.09 0.00 0.00 0.00 0.00 51.96 52.25 1l3n s ALA 145 Cb 0.18 0.23 -0.00 0.00 0.00 0.00 0.00 23.12 23.52 1l3n s ALA 145 CO 0.71 -0.40 0.21 0.00 0.00 0.00 0.00 175.76 176.28 1l3n s GLY 147 N -2.88 0.79 -0.04 0.00 0.00 0.03 -0.64 107.32 104.58 1l3n s GLY 147 Ca 0.07 -1.13 0.07 0.00 0.00 0.00 0.00 44.72 43.73 1l3n s GLY 147 CO -0.09 -0.93 -0.25 0.14 0.00 0.00 0.00 173.10 171.98 1l3n s VAL 148 N -4.05 1.97 -0.22 1.40 1.01 -1.26 -0.33 120.40 118.93 1l3n s VAL 148 Ca 0.26 -1.05 -0.29 0.00 0.00 0.00 0.00 61.98 60.90 1l3n s VAL 148 Cb 0.03 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 1l3n s VAL 148 CO 0.07 0.55 1.41 -0.63 0.00 0.00 0.00 175.10 176.51 1l3n s ILE 149 N -0.38 4.00 0.18 2.22 1.01 -0.35 -4.47 121.20 123.40 1l3n s ILE 149 Ca 0.04 1.16 0.09 0.00 0.00 0.00 0.00 60.65 61.94 1l3n s ILE 149 Cb -0.11 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 1l3n s ILE 149 CO 0.01 -0.29 -0.12 -0.83 0.00 0.00 0.00 174.94 173.71 1l3n s GLY 150 N 3.02 1.73 0.47 6.18 0.00 0.14 -1.00 107.32 117.86 1l3n s GLY 150 Ca 0.62 -1.49 -0.23 0.00 0.00 0.00 0.00 44.72 43.61 1l3n s GLY 150 CO 0.23 -1.51 1.22 -0.42 0.00 0.00 0.00 173.10 172.62 1l3n s ILE 151 N -1.68 2.82 0.00 0.90 1.01 -1.26 -0.10 121.20 122.88 1l3n s ILE 151 Ca 0.24 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.52 1l3n s ILE 151 Cb -0.09 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.06 1l3n s ILE 151 CO 0.14 0.01 0.00 0.00 0.00 0.00 0.00 174.94 175.09 1l3n n ALA 152 N -0.52 1.92 0.19 9.38 0.00 0.01 -4.51 120.51 126.98 1l3n n ALA 152 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.54 1l3n n ALA 152 Cb 0.47 0.14 0.02 0.00 0.00 0.00 0.00 19.45 20.08 1l3n n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44