#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l3n n THR 2 N 0.00 0.00 -4.33 0.00 5.66 -1.26 -5.02 114.28 109.32 1l3n n THR 2 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1l3n n THR 2 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 1l3n n THR 2 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1l3n s LYS 3 N -1.30 2.06 0.15 1.09 1.02 -1.26 -0.00 119.74 121.50 1l3n s LYS 3 Ca 0.00 -1.03 -0.12 0.00 0.02 0.00 0.00 55.97 54.84 1l3n s LYS 3 Cb 0.00 -2.25 0.01 0.00 -0.52 0.00 0.00 37.83 35.07 1l3n s LYS 3 CO 0.00 0.51 0.34 0.00 -0.92 0.00 0.00 175.35 175.28 1l3n s ALA 4 N -1.13 -0.41 0.16 5.17 0.00 -0.61 -0.33 121.76 124.60 1l3n s ALA 4 Ca 0.19 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 1l3n s ALA 4 Cb -0.11 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 1l3n s ALA 4 CO 0.11 -0.66 0.08 0.14 0.00 0.00 0.00 175.76 175.44 1l3n s VAL 5 N -3.90 0.07 -0.14 0.00 -7.23 0.03 -0.61 120.40 108.63 1l3n s VAL 5 Ca 0.11 -1.95 -0.04 0.00 -1.81 0.00 0.00 61.98 58.29 1l3n s VAL 5 Cb 0.02 -2.22 0.07 0.00 0.56 0.00 0.00 36.38 34.81 1l3n s VAL 5 CO -0.05 -0.29 0.17 0.00 -0.31 0.00 0.00 175.10 174.62 1l3n s ALA 6 N -4.09 -0.09 -0.29 1.32 0.00 -0.33 -1.48 121.76 116.81 1l3n s ALA 6 Ca 0.30 0.30 -0.17 0.00 0.00 0.00 0.00 51.96 52.39 1l3n s ALA 6 Cb 0.07 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 1l3n s ALA 6 CO 0.06 -0.90 0.45 0.14 0.00 0.00 0.00 175.76 175.51 1l3n s VAL 7 N 2.28 5.10 -0.08 0.00 -7.23 -1.26 -0.96 120.40 118.25 1l3n s VAL 7 Ca 0.04 0.61 -0.03 0.00 -1.81 0.00 0.00 61.98 60.80 1l3n s VAL 7 Cb -0.14 -3.81 -0.04 0.00 0.56 0.00 0.00 36.38 32.96 1l3n s VAL 7 CO -0.09 0.04 0.05 -0.76 -0.31 0.00 0.00 175.10 174.03 1l3n s LEU 8 N 2.22 3.82 0.13 1.32 1.43 0.40 -4.18 118.68 123.82 1l3n s LEU 8 Ca 0.18 0.22 -0.10 0.00 -1.03 0.00 0.00 54.13 53.40 1l3n s LEU 8 Cb -0.16 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1l3n s LEU 8 CO 0.10 0.37 0.27 -0.54 0.23 0.00 0.00 176.35 176.78 1l3n s LYS 9 N -1.06 1.01 0.00 1.70 1.02 0.06 -0.15 119.74 122.33 1l3n s LYS 9 Ca 0.15 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 55.14 1l3n s LYS 9 Cb -0.12 0.38 0.00 0.00 -0.52 0.00 0.00 37.83 37.57 1l3n s LYS 9 CO 0.05 -0.36 0.00 0.41 -0.92 0.00 0.00 175.35 174.53 1l3n n GLY 10 N -0.15 -1.86 0.20 -3.33 0.00 -1.26 -0.76 105.19 98.03 1l3n n GLY 10 Ca -0.12 0.49 -0.17 0.00 0.00 0.00 0.00 46.02 46.22 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 0.81 0.00 1.61 5.19 -1.84 -3.49 116.42 118.70 1l3n h ASP 11 Ca 0.00 -0.65 0.00 0.00 -0.62 0.00 0.00 57.03 55.76 1l3n h ASP 11 Cb 0.00 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.27 1l3n h ASP 11 CO 0.00 1.33 0.00 0.61 -3.12 0.00 0.00 179.24 178.06 1l3n n GLY 12 N 0.75 2.90 0.29 2.75 0.00 -1.26 -4.93 105.19 105.69 1l3n n GLY 12 Ca -0.08 -0.47 0.02 0.00 0.00 0.00 0.00 46.02 45.49 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 0.69 -6.26 1.61 0.13 -1.93 -3.39 132.00 122.86 1l3n h PRO 13 Ca 0.00 -0.04 -0.55 0.00 -0.87 0.00 0.00 66.00 64.54 1l3n h PRO 13 Cb 0.00 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 30.97 1l3n h PRO 13 CO 0.00 0.46 1.20 0.54 -0.23 0.00 0.00 178.00 179.96 1l3n s VAL 14 N -6.05 3.36 -0.24 1.56 0.11 -1.00 -4.14 120.40 114.01 1l3n s VAL 14 Ca -0.13 0.42 0.01 0.00 -2.93 0.00 0.00 61.98 59.35 1l3n s VAL 14 Cb 0.18 -3.32 0.06 0.00 -1.53 0.00 0.00 36.38 31.77 1l3n s VAL 14 CO 0.77 -0.09 -0.04 0.00 -3.33 0.00 0.00 175.10 172.41 1l3n s GLN 15 N 4.62 1.54 0.15 1.54 -2.07 -0.26 -4.08 119.66 121.11 1l3n s GLN 15 Ca 0.81 -0.98 -0.18 0.00 -1.82 0.00 0.00 55.36 53.19 1l3n s GLN 15 Cb -0.34 -2.56 -0.07 0.00 -1.09 0.00 0.00 33.01 28.94 1l3n s GLN 15 CO 0.34 -0.62 0.62 0.20 -1.32 0.00 0.00 175.29 174.51 1l3n s GLY 16 N 1.41 2.58 -0.38 2.60 0.00 0.79 -0.94 107.32 113.39 1l3n s GLY 16 Ca -0.05 0.02 0.02 0.00 0.00 0.00 0.00 44.72 44.72 1l3n s GLY 16 CO -0.07 0.37 0.31 -0.42 0.00 0.00 0.00 173.10 173.30 1l3n s ILE 17 N -1.37 0.01 0.02 0.90 1.01 -1.24 -0.45 121.20 120.07 1l3n s ILE 17 Ca 0.37 -1.73 -0.05 0.00 0.00 0.00 0.00 60.65 59.23 1l3n s ILE 17 Cb -0.17 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.28 1l3n s ILE 17 CO 0.20 -0.90 0.26 -0.63 0.00 0.00 0.00 174.94 173.86 1l3n s ILE 18 N 0.88 5.32 0.02 2.92 -1.09 -0.14 -0.98 121.20 128.14 1l3n s ILE 18 Ca 0.22 0.07 0.06 0.00 -2.23 0.00 0.00 60.65 58.78 1l3n s ILE 18 Cb -0.13 -3.57 -0.02 0.00 -1.58 0.00 0.00 42.46 37.16 1l3n s ILE 18 CO -0.06 0.33 -0.19 0.20 -1.23 0.00 0.00 174.94 173.99 1l3n s ASN 19 N -1.83 2.20 -0.27 3.58 0.02 0.48 -1.19 114.94 117.94 1l3n s ASN 19 Ca 0.29 -0.44 0.01 0.00 -1.02 0.00 0.00 52.86 51.69 1l3n s ASN 19 Cb -0.13 -0.20 0.08 0.00 0.02 0.00 0.00 41.25 41.02 1l3n s ASN 19 CO 0.18 0.16 -0.01 -0.36 0.02 0.00 0.00 177.10 177.09 1l3n s PHE 20 N -0.68 2.56 -0.36 2.20 0.40 0.22 -1.93 117.98 120.40 1l3n s PHE 20 Ca 0.06 -2.02 -0.11 0.00 -0.60 0.00 0.00 56.93 54.26 1l3n s PHE 20 Cb -0.08 -1.88 0.02 0.00 0.51 0.00 0.00 43.02 41.58 1l3n s PHE 20 CO 0.01 -0.83 0.21 -2.00 0.70 0.00 0.00 175.22 173.31 1l3n s GLU 21 N 1.33 2.99 -0.86 0.44 2.12 -1.21 -1.57 118.70 121.93 1l3n s GLU 21 Ca 0.00 -0.97 -0.25 0.00 0.36 0.00 0.00 54.97 54.11 1l3n s GLU 21 Cb -0.19 -3.74 0.03 0.00 0.26 0.00 0.00 34.13 30.50 1l3n s GLU 21 CO -0.10 -0.63 1.43 -0.65 -0.54 0.00 0.00 175.26 174.77 1l3n s GLN 22 N 1.59 3.29 0.11 4.30 -1.52 1.00 -3.96 119.66 124.47 1l3n s GLN 22 Ca 0.03 -0.57 -0.26 0.00 -1.95 0.00 0.00 55.36 52.61 1l3n s GLN 22 Cb -0.19 -4.76 -0.09 0.00 -0.22 0.00 0.00 33.01 27.76 1l3n s GLN 22 CO 0.07 -2.29 1.65 0.87 -0.25 0.00 0.00 175.29 175.35 1l3n h LYS 23 N 10.31 -0.39 0.00 2.91 1.79 -1.85 -3.44 116.57 125.90 1l3n h LYS 23 Ca -0.05 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1l3n h LYS 23 Cb 1.04 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1l3n h LYS 23 CO 1.34 -0.26 0.00 -1.91 -1.08 0.00 0.00 179.45 177.53 1l3n n GLU 24 N -5.34 3.64 0.05 3.15 2.13 -1.26 -4.98 120.64 118.04 1l3n n GLU 24 Ca -0.07 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.73 1l3n n GLU 24 Cb 0.26 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.89 1l3n n GLU 24 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1l3n h SER 25 N 0.00 0.00 -0.01 4.31 4.64 -2.00 -3.37 113.55 117.12 1l3n h SER 25 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1l3n h SER 25 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1l3n h SER 25 CO 0.00 0.75 -0.37 0.59 -0.87 0.00 0.00 176.83 176.93 1l3n n ASN 26 N -3.11 1.17 -4.77 4.97 3.02 -1.26 -5.02 115.26 110.26 1l3n n ASN 26 Ca -0.06 -1.09 -0.36 0.00 -0.03 0.00 0.00 54.58 53.05 1l3n n ASN 26 Cb 0.88 0.63 0.01 0.00 -0.61 0.00 0.00 39.78 40.69 1l3n n ASN 26 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1l3n s GLY 27 N -1.81 2.69 0.09 7.41 0.00 -1.26 -4.96 107.32 109.49 1l3n s GLY 27 Ca 0.09 0.90 -0.31 0.00 0.00 0.00 0.00 44.72 45.40 1l3n s GLY 27 CO 0.39 1.28 1.72 2.56 0.00 0.00 0.00 173.10 179.05 1l3n s PRO 28 N -3.18 4.17 -0.65 2.90 0.04 -1.26 -4.75 135.00 132.27 1l3n s PRO 28 Ca 0.72 2.44 -0.28 0.00 0.04 0.00 0.00 61.00 63.93 1l3n s PRO 28 Cb -0.26 -3.58 0.03 0.00 0.04 0.00 0.00 34.50 30.72 1l3n s PRO 28 CO 0.30 -0.77 1.27 0.08 0.04 0.00 0.00 177.00 177.92 1l3n s VAL 29 N 2.63 3.84 -0.26 -0.36 1.01 0.63 -4.74 120.40 123.15 1l3n s VAL 29 Ca 0.77 0.64 -0.29 0.00 0.00 0.00 0.00 61.98 63.10 1l3n s VAL 29 Cb -0.42 -4.76 -0.03 0.00 0.00 0.00 0.00 36.38 31.17 1l3n s VAL 29 CO 0.34 -1.54 1.75 -0.54 0.00 0.00 0.00 175.10 175.10 1l3n s LYS 30 N 5.42 3.56 -0.50 2.72 1.02 -1.25 -1.21 119.74 129.49 1l3n s LYS 30 Ca 0.41 1.61 -0.18 0.00 0.02 0.00 0.00 55.97 57.83 1l3n s LYS 30 Cb -0.08 -4.13 0.07 0.00 -0.52 0.00 0.00 37.83 33.16 1l3n s LYS 30 CO 0.21 -1.58 0.58 0.14 -0.92 0.00 0.00 175.35 173.77 1l3n s VAL 31 N 6.12 4.96 0.33 3.17 -7.23 0.83 -3.30 120.40 125.28 1l3n s VAL 31 Ca 0.78 -0.67 0.09 0.00 -1.81 0.00 0.00 61.98 60.37 1l3n s VAL 31 Cb -0.25 -4.27 -0.04 0.00 0.56 0.00 0.00 36.38 32.37 1l3n s VAL 31 CO 0.32 -0.78 0.10 -1.66 -0.31 0.00 0.00 175.10 172.77 1l3n s TRP 32 N 2.40 2.69 -0.25 2.82 -2.14 -0.81 -0.97 118.94 122.68 1l3n s TRP 32 Ca 0.12 -0.36 -0.35 0.00 2.66 0.00 0.00 56.10 58.17 1l3n s TRP 32 Cb -0.21 -1.54 0.16 0.00 -3.10 0.00 0.00 33.47 28.78 1l3n s TRP 32 CO 0.10 0.41 1.30 0.20 -2.66 0.00 0.00 176.95 176.30 1l3n s GLY 33 N -3.80 -0.17 -0.50 3.67 0.00 0.40 -0.39 107.32 106.54 1l3n s GLY 33 Ca 0.36 2.00 0.03 0.00 0.00 0.00 0.00 44.72 47.12 1l3n s GLY 33 CO 0.22 0.72 0.31 -1.35 0.00 0.00 0.00 173.10 172.99 1l3n s SER 34 N -1.83 3.60 0.55 1.64 1.04 -0.15 -0.48 113.70 118.07 1l3n s SER 34 Ca 0.10 -2.98 -0.16 0.00 0.48 0.00 0.00 55.95 53.38 1l3n s SER 34 Cb -0.01 -1.11 -0.06 0.00 0.10 0.00 0.00 66.02 64.94 1l3n s SER 34 CO -0.04 -0.21 1.02 0.27 0.98 0.00 0.00 173.24 175.26 1l3n s ILE 35 N -0.12 4.15 -0.12 -1.02 -4.36 -0.97 -3.65 121.20 115.11 1l3n s ILE 35 Ca 0.21 1.05 -0.04 0.00 -0.26 0.00 0.00 60.65 61.61 1l3n s ILE 35 Cb -0.16 -3.54 0.06 0.00 1.25 0.00 0.00 42.46 40.07 1l3n s ILE 35 CO -0.06 -0.57 0.23 -1.59 0.24 0.00 0.00 174.94 173.19 1l3n s LYS 36 N -4.01 0.11 0.00 0.37 -2.85 -0.12 -2.08 119.74 111.17 1l3n s LYS 36 Ca 0.62 0.68 0.00 0.00 -1.00 0.00 0.00 55.97 56.27 1l3n s LYS 36 Cb -0.13 -0.13 0.00 0.00 -2.06 0.00 0.00 37.83 35.51 1l3n s LYS 36 CO 0.33 -0.30 0.00 0.41 0.10 0.00 0.00 175.35 175.89 1l3n n GLY 37 N 5.34 0.66 3.95 0.59 0.00 0.32 -1.10 105.19 114.95 1l3n n GLY 37 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 1l3n n GLY 37 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1l3n s LEU 38 N 0.00 2.79 0.79 0.99 -0.00 -1.17 -2.37 118.68 119.72 1l3n s LEU 38 Ca 0.00 0.04 -0.12 0.00 -0.00 0.00 0.00 54.13 54.05 1l3n s LEU 38 Cb 0.00 -2.10 0.07 0.00 -0.00 0.00 0.00 46.19 44.16 1l3n s LEU 38 CO 0.00 -2.61 1.13 0.28 -0.00 0.00 0.00 176.35 175.15 1l3n s THR 39 N -3.74 2.71 1.33 5.48 -1.32 -1.26 -3.76 115.64 115.08 1l3n s THR 39 Ca 0.73 0.23 -0.22 0.00 -1.21 0.00 0.00 61.69 61.23 1l3n s THR 39 Cb -0.03 -3.12 0.34 0.00 -1.51 0.00 0.00 72.50 68.17 1l3n s THR 39 CO 0.51 -0.30 1.02 -1.83 -2.21 0.00 0.00 174.62 171.81 1l3n s GLU 40 N -5.36 -2.26 0.63 7.08 4.04 -1.26 -4.71 118.70 116.87 1l3n s GLU 40 Ca 0.61 -0.03 0.00 0.00 0.04 0.00 0.00 54.97 55.59 1l3n s GLU 40 Cb -0.12 -1.47 0.00 0.00 0.02 0.00 0.00 34.13 32.55 1l3n s GLU 40 CO 0.52 -4.40 0.00 0.41 -1.84 0.00 0.00 175.26 169.95 1l3n n GLY 41 N 0.22 -2.07 3.76 -3.83 0.00 0.17 -4.75 105.19 98.69 1l3n n GLY 41 Ca 0.14 -1.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.13 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 4.55 -0.01 0.99 2.01 -1.26 -0.27 118.68 124.69 1l3n s LEU 42 Ca 0.00 2.15 -0.01 0.00 0.01 0.00 0.00 54.13 56.28 1l3n s LEU 42 Cb 0.00 -3.66 0.00 0.00 0.01 0.00 0.00 46.19 42.54 1l3n s LEU 42 CO 0.00 -0.07 0.03 -1.00 1.01 0.00 0.00 176.35 176.33 1l3n s HIS 43 N -1.21 -0.04 -0.44 0.29 3.76 0.57 -3.12 115.29 115.11 1l3n s HIS 43 Ca 0.44 0.09 -0.40 0.00 -0.15 0.00 0.00 55.06 55.04 1l3n s HIS 43 Cb -0.29 0.00 -0.17 0.00 1.11 0.00 0.00 32.58 33.23 1l3n s HIS 43 CO 0.37 -0.02 1.53 0.41 -0.85 0.00 0.00 174.74 176.18 1l3n n GLY 44 N 3.10 0.08 2.70 -2.22 0.00 0.13 -1.68 105.19 107.31 1l3n n GLY 44 Ca -0.13 0.91 -0.27 0.00 0.00 0.00 0.00 46.02 46.52 1l3n n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1l3n s PHE 45 N 3.36 0.88 0.25 1.61 0.40 0.50 -0.89 117.98 124.08 1l3n s PHE 45 Ca 0.95 -0.80 -0.12 0.00 -0.60 0.00 0.00 56.93 56.36 1l3n s PHE 45 Cb -1.31 -0.99 -0.01 0.00 0.51 0.00 0.00 43.02 41.23 1l3n s PHE 45 CO 0.67 -0.61 0.46 -1.01 0.70 0.00 0.00 175.22 175.43 1l3n s HIS 46 N 1.91 0.41 -0.11 0.36 3.76 -1.16 -0.46 115.29 119.99 1l3n s HIS 46 Ca 0.00 -0.77 0.14 0.00 -0.15 0.00 0.00 55.06 54.29 1l3n s HIS 46 Cb -0.17 0.15 -0.20 0.00 1.11 0.00 0.00 32.58 33.47 1l3n s HIS 46 CO -0.10 -0.98 0.14 1.33 -0.85 0.00 0.00 174.74 174.28 1l3n n VAL 47 N -0.38 0.72 -1.40 -0.90 0.24 -1.21 -0.66 118.33 114.74 1l3n n VAL 47 Ca -0.01 -0.55 0.18 0.00 -2.04 0.00 0.00 64.34 61.91 1l3n n VAL 47 Cb 0.62 -0.39 -0.08 0.00 -1.47 0.00 0.00 33.84 32.52 1l3n n VAL 47 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1l3n n HIS 48 N -2.41 -3.71 0.03 6.34 8.25 -1.26 -0.55 115.22 121.91 1l3n n HIS 48 Ca -0.18 2.00 -0.07 0.00 -0.26 0.00 0.00 57.72 59.21 1l3n n HIS 48 Cb 0.82 -3.38 -0.05 0.00 1.12 0.00 0.00 29.99 28.50 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 -1.37 -0.17 -6.52 -0.41 4.81 -1.46 -3.40 114.58 106.07 1l3n h GLU 49 Ca -0.14 0.01 -0.57 0.00 -0.13 0.00 0.00 59.36 58.54 1l3n h GLU 49 Cb 1.33 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.70 1l3n h GLU 49 CO 0.06 0.16 1.02 -0.06 -0.73 0.00 0.00 179.01 179.47 1l3n s PHE 50 N -2.64 2.53 0.26 0.92 0.08 -1.12 -4.76 117.98 113.26 1l3n s PHE 50 Ca -0.09 0.73 -0.05 0.00 0.12 0.00 0.00 56.93 57.64 1l3n s PHE 50 Cb -0.00 -4.23 0.32 0.00 -0.57 0.00 0.00 43.02 38.53 1l3n s PHE 50 CO 0.32 -1.80 1.93 0.78 -0.10 0.00 0.00 175.22 176.34 1l3n h GLY 51 N 11.73 1.31 -4.92 4.36 0.00 -1.85 -3.37 103.07 110.34 1l3n h GLY 51 Ca -0.26 -0.51 -0.63 0.00 0.00 0.00 0.00 47.33 45.93 1l3n h GLY 51 CO 1.08 0.50 0.38 1.34 0.00 0.00 0.00 176.54 179.83 1l3n n ASP 52 N -4.38 0.63 -0.22 0.19 2.03 -1.26 -4.70 116.55 108.85 1l3n n ASP 52 Ca 0.11 0.87 0.04 0.00 0.52 0.00 0.00 54.79 56.33 1l3n n ASP 52 Cb 0.03 -0.65 0.06 0.00 -0.72 0.00 0.00 41.12 39.84 1l3n n ASP 52 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1l3n n ASN 53 N 2.41 1.25 -0.25 1.67 5.03 -1.26 -2.28 115.26 121.83 1l3n n ASN 53 Ca 0.20 -2.40 0.12 0.00 0.87 0.00 0.00 54.58 53.38 1l3n n ASN 53 Cb -0.02 -0.26 0.39 0.00 -1.02 0.00 0.00 39.78 38.87 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 2.83 0.84 0.00 3.41 2.02 -1.97 0.33 112.91 120.37 1l3n h THR 54 Ca 0.00 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 1l3n h THR 54 Cb 1.10 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1l3n h THR 54 CO 0.00 0.12 -0.17 0.00 0.37 0.00 0.00 175.52 175.84 1l3n h ALA 55 N 1.60 0.92 0.00 6.16 0.00 -1.98 -3.50 119.26 122.46 1l3n h ALA 55 Ca 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1l3n h ALA 55 Cb 0.72 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1l3n h ALA 55 CO -0.19 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1l3n n GLY 56 N 0.80 0.57 2.11 0.00 0.00 0.12 -4.82 105.19 103.97 1l3n n GLY 56 Ca 0.02 -2.20 -0.08 0.00 0.00 0.00 0.00 46.02 43.76 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 2.59 0.00 -0.33 0.00 -1.04 -1.26 -4.76 114.28 109.48 1l3n n THR 58 Ca 0.30 0.00 0.33 0.00 -2.04 0.00 0.00 64.05 62.64 1l3n n THR 58 Cb 0.66 -0.39 0.70 0.00 -1.82 0.00 0.00 70.33 69.49 1l3n n THR 58 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1l3n h SER 59 N 0.00 0.09 -0.19 8.00 0.02 -1.75 -2.51 113.55 117.21 1l3n h SER 59 Ca 0.00 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.04 1l3n h SER 59 Cb 0.12 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 1l3n h SER 59 CO 0.00 0.01 0.07 0.00 -1.14 0.00 0.00 176.83 175.77 1l3n n ALA 60 N -2.71 0.17 0.00 3.77 0.00 -0.96 -4.68 120.51 116.10 1l3n n ALA 60 Ca 0.26 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1l3n n ALA 60 Cb 1.19 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.46 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 -1.07 1.30 2.16 0.00 0.00 -0.95 -2.81 105.19 103.82 1l3n n GLY 61 Ca 0.07 -1.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.17 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 1.37 2.79 0.00 1.61 -0.04 -1.26 -4.80 135.00 134.67 1l3n n PRO 62 Ca 0.00 -1.60 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 1l3n n PRO 62 Cb 0.00 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 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 2.89 0.00 -1.25 0.54 8.25 -1.26 -4.70 115.22 119.69 1l3n n HIS 63 Ca 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 58.05 1l3n n HIS 63 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 1l3n n HIS 63 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1l3n n PHE 64 N 0.00 -1.08 -0.96 4.41 -1.74 -1.26 -1.59 117.46 115.24 1l3n n PHE 64 Ca 0.00 0.00 -0.34 0.00 -0.56 0.00 0.00 57.45 56.55 1l3n n PHE 64 Cb 0.00 -0.80 0.09 0.00 1.52 0.00 0.00 39.48 40.29 1l3n n PHE 64 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 1l3n n ASN 65 N 0.12 -2.56 -0.19 5.98 0.23 -1.26 -4.86 115.26 112.72 1l3n n ASN 65 Ca 0.00 0.38 -0.03 0.00 -0.53 0.00 0.00 54.58 54.40 1l3n n ASN 65 Cb 0.14 -1.13 0.07 0.00 -2.08 0.00 0.00 39.78 36.78 1l3n n ASN 65 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 1l3n h PRO 66 N -1.13 0.57 -3.07 -0.53 0.13 -1.96 -2.30 132.00 123.72 1l3n h PRO 66 Ca -0.44 -0.03 -0.44 0.00 -0.87 0.00 0.00 66.00 64.22 1l3n h PRO 66 Cb 1.31 -0.13 0.01 0.00 0.13 0.00 0.00 31.00 32.32 1l3n h PRO 66 CO 0.35 0.37 2.57 1.28 -0.23 0.00 0.00 178.00 182.34 1l3n n LEU 67 N -4.84 6.16 -3.84 1.56 4.77 -1.26 -4.82 117.00 114.72 1l3n n LEU 67 Ca 0.06 -3.36 -0.38 0.00 -0.03 0.00 0.00 56.01 52.30 1l3n n LEU 67 Cb 0.15 -1.26 -0.08 0.00 -2.33 0.00 0.00 43.42 39.90 1l3n n LEU 67 CO 0.29 1.25 1.72 -1.54 -1.33 0.00 0.00 177.39 177.78 1l3n n SER 68 N 3.69 2.05 0.00 -1.43 3.41 -0.87 -4.63 113.62 115.85 1l3n n SER 68 Ca 0.55 -2.61 0.00 0.00 -0.26 0.00 0.00 58.87 56.55 1l3n n SER 68 Cb 0.27 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 1l3n n SER 68 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1l3n n ARG 69 N 7.62 0.00 -3.75 4.33 1.74 -1.26 -5.05 116.66 120.28 1l3n n ARG 69 Ca 0.47 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.42 1l3n n ARG 69 Cb 0.43 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.77 1l3n n ARG 69 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1l3n s LYS 70 N 0.08 0.53 -0.20 5.56 1.02 -1.22 -5.10 119.74 120.42 1l3n s LYS 70 Ca 0.00 0.19 -0.36 0.00 0.02 0.00 0.00 55.97 55.82 1l3n s LYS 70 Cb 0.00 0.25 -0.12 0.00 -0.52 0.00 0.00 37.83 37.43 1l3n s LYS 70 CO 0.00 -0.11 1.93 1.58 -0.92 0.00 0.00 175.35 177.82 1l3n n HIS 71 N 2.16 2.10 -2.47 3.18 -0.00 -0.01 -3.74 115.22 116.44 1l3n n HIS 71 Ca -0.17 0.18 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 1l3n n HIS 71 Cb 0.57 -2.59 0.00 0.00 -0.00 0.00 0.00 29.99 27.97 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 4.85 5.78 0.00 1.57 0.00 -1.26 -2.37 105.19 113.76 1l3n n GLY 72 Ca 0.28 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 2.15 2.60 0.00 -0.02 0.00 -1.24 -4.62 105.19 104.06 1l3n n GLY 73 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 0.28 -0.00 1.61 -0.04 -1.23 -0.81 135.00 134.80 1l3n n PRO 74 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 1l3n n PRO 74 Cb 0.00 -1.00 -0.09 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.49 1.80 -3.87 0.54 4.76 -1.26 -5.02 118.16 114.62 1l3n n LYS 75 Ca 0.00 -0.05 -0.12 0.00 -2.87 0.00 0.00 58.31 55.28 1l3n n LYS 75 Cb 0.00 -1.20 -0.14 0.00 -1.84 0.00 0.00 35.03 31.85 1l3n n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1l3n s ASP 76 N -2.74 -0.02 0.48 4.39 1.11 0.01 -5.04 116.67 114.86 1l3n s ASP 76 Ca 0.01 0.03 0.27 0.00 0.18 0.00 0.00 52.55 53.05 1l3n s ASP 76 Cb 0.10 0.06 0.74 0.00 1.07 0.00 0.00 42.92 44.89 1l3n s ASP 76 CO 0.56 -0.03 1.76 -0.08 1.18 0.00 0.00 175.17 178.56 1l3n h GLU 77 N 6.03 0.00 0.00 8.23 4.22 -1.96 -3.01 114.58 128.09 1l3n h GLU 77 Ca -0.25 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.19 1l3n h GLU 77 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1l3n h GLU 77 CO 0.49 0.01 0.00 -0.85 -2.18 0.00 0.00 179.01 176.47 1l3n n GLU 78 N -3.10 0.35 -1.14 1.92 0.00 -1.26 -4.92 120.64 112.50 1l3n n GLU 78 Ca 0.03 0.04 -0.43 0.00 0.00 0.00 0.00 57.16 56.80 1l3n n GLU 78 Cb 0.44 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.34 1l3n n GLU 78 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1l3n n ARG 79 N -1.30 0.00 0.00 3.44 -4.01 -1.14 -3.38 116.66 110.28 1l3n n ARG 79 Ca 0.12 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.93 1l3n n ARG 79 Cb 0.21 -1.01 0.00 0.00 -3.04 0.00 0.00 32.46 28.62 1l3n n ARG 79 CO 0.00 0.00 0.00 0.72 -3.04 0.00 0.00 177.63 175.31 1l3n n HIS 80 N 0.71 0.00 0.00 2.89 8.25 -1.26 -4.84 115.22 120.97 1l3n n HIS 80 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1l3n n HIS 80 Cb 0.11 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.21 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 -0.54 0.00 -2.31 1.59 0.31 -1.26 -4.81 118.33 111.30 1l3n n VAL 81 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 1l3n n VAL 81 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 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 2.39 5.78 3.56 2.92 0.00 -1.26 -4.89 105.19 113.69 1l3n n GLY 82 Ca 0.00 -2.62 -0.34 0.00 0.00 0.00 0.00 46.02 43.06 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 -2.21 5.49 0.23 1.61 1.01 -1.26 -3.35 116.67 118.19 1l3n s ASP 83 Ca 0.49 -0.51 0.10 0.00 0.71 0.00 0.00 52.55 53.34 1l3n s ASP 83 Cb 0.38 -2.55 0.18 0.00 1.01 0.00 0.00 42.92 41.93 1l3n s ASP 83 CO -0.27 -2.36 1.50 -0.07 0.21 0.00 0.00 175.17 174.18 1l3n h LEU 84 N 16.21 0.00 0.00 1.23 3.38 -1.10 -3.27 115.31 131.76 1l3n h LEU 84 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1l3n h LEU 84 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1l3n h LEU 84 CO 1.25 0.72 0.00 0.61 0.09 0.00 0.00 178.44 181.12 1l3n n GLY 85 N 0.67 0.92 2.89 0.83 0.00 -0.07 -4.41 105.19 106.02 1l3n n GLY 85 Ca -0.01 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 1l3n n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1l3n s ASN 86 N -4.00 4.36 -0.07 1.61 2.20 -1.26 -0.37 114.94 117.42 1l3n s ASN 86 Ca 0.00 -1.84 0.01 0.00 -0.94 0.00 0.00 52.86 50.09 1l3n s ASN 86 Cb 0.00 -1.26 -0.03 0.00 -2.00 0.00 0.00 41.25 37.96 1l3n s ASN 86 CO 0.00 -0.38 -0.06 0.68 -2.94 0.00 0.00 177.10 174.40 1l3n s VAL 87 N 1.26 3.77 -0.02 3.54 -7.23 -0.68 -4.75 120.40 116.29 1l3n s VAL 87 Ca 0.09 -0.46 -0.29 0.00 -1.81 0.00 0.00 61.98 59.51 1l3n s VAL 87 Cb -0.18 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 1l3n s VAL 87 CO -0.15 0.59 0.93 -0.89 -0.31 0.00 0.00 175.10 175.26 1l3n s THR 88 N -0.83 4.90 -0.11 5.32 2.01 -1.26 -0.32 115.64 125.35 1l3n s THR 88 Ca 0.13 1.94 -0.01 0.00 0.31 0.00 0.00 61.69 64.05 1l3n s THR 88 Cb -0.11 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.11 1l3n s THR 88 CO 0.02 0.17 -0.06 0.00 -0.69 0.00 0.00 174.62 174.06 1l3n s ALA 89 N 1.02 2.96 1.18 7.40 0.00 0.63 -4.11 121.76 130.84 1l3n s ALA 89 Ca 0.49 -0.86 -0.13 0.00 0.00 0.00 0.00 51.96 51.46 1l3n s ALA 89 Cb -0.20 -1.38 0.28 0.00 0.00 0.00 0.00 23.12 21.82 1l3n s ALA 89 CO 0.25 0.38 0.95 -3.47 0.00 0.00 0.00 175.76 173.88 1l3n n ASP 90 N 2.93 -1.80 -0.35 0.00 2.03 0.31 -0.65 116.55 119.03 1l3n n ASP 90 Ca -0.18 -0.17 0.31 0.00 0.52 0.00 0.00 54.79 55.28 1l3n n ASP 90 Cb 0.53 -1.24 0.65 0.00 -0.72 0.00 0.00 41.12 40.33 1l3n n ASP 90 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1l3n h LYS 91 N -2.68 0.16 0.00 -0.67 2.10 -1.95 0.16 116.57 113.69 1l3n h LYS 91 Ca -0.62 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.02 1l3n h LYS 91 Cb 1.34 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1l3n h LYS 91 CO 0.48 0.11 0.00 -3.47 -2.00 0.00 0.00 179.45 174.57 1l3n n ASP 92 N -4.40 0.69 0.00 7.07 2.03 -1.26 -4.65 116.55 116.03 1l3n n ASP 92 Ca 0.27 0.57 0.00 0.00 0.52 0.00 0.00 54.79 56.15 1l3n n ASP 92 Cb 1.15 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 1l3n n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1l3n n GLY 93 N 1.30 0.74 3.50 0.27 0.00 0.56 -4.15 105.19 107.40 1l3n n GLY 93 Ca 0.06 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.00 4.93 -0.27 1.61 1.01 -1.25 -0.53 120.40 123.90 1l3n s VAL 94 Ca 0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 1l3n s VAL 94 Cb 0.00 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1l3n s VAL 94 CO 0.00 -0.55 0.10 0.00 0.00 0.00 0.00 175.10 174.65 1l3n s ALA 95 N 2.54 3.21 -1.13 5.51 0.00 -0.88 -0.53 121.76 130.48 1l3n s ALA 95 Ca 0.18 -1.23 -0.18 0.00 0.00 0.00 0.00 51.96 50.73 1l3n s ALA 95 Cb -0.16 -2.20 0.11 0.00 0.00 0.00 0.00 23.12 20.87 1l3n s ALA 95 CO 0.16 -0.65 1.45 0.16 0.00 0.00 0.00 175.76 176.88 1l3n s ASP 96 N 1.62 6.79 0.03 0.00 -4.77 -1.26 -2.30 116.67 116.78 1l3n s ASP 96 Ca 0.06 -2.31 -0.30 0.00 -3.30 0.00 0.00 52.55 46.69 1l3n s ASP 96 Cb -0.16 -2.48 -0.05 0.00 -1.09 0.00 0.00 42.92 39.14 1l3n s ASP 96 CO 0.05 -1.09 1.14 -0.69 0.70 0.00 0.00 175.17 175.28 1l3n s VAL 97 N 3.25 4.28 -0.44 2.11 1.01 0.37 -4.91 120.40 126.06 1l3n s VAL 97 Ca 0.44 1.63 0.07 0.00 0.00 0.00 0.00 61.98 64.13 1l3n s VAL 97 Cb -0.01 -4.05 0.33 0.00 0.00 0.00 0.00 36.38 32.65 1l3n s VAL 97 CO -0.02 0.12 1.07 -1.54 0.00 0.00 0.00 175.10 174.72 1l3n n SER 98 N 4.03 -1.85 -4.97 3.32 3.41 -1.25 -0.45 113.62 115.87 1l3n n SER 98 Ca 0.08 -3.57 -0.21 0.00 -0.26 0.00 0.00 58.87 54.91 1l3n n SER 98 Cb 0.48 1.52 -0.00 0.00 -0.26 0.00 0.00 64.21 65.95 1l3n n SER 98 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1l3n s ILE 99 N -0.15 4.26 -0.02 -1.33 1.09 -0.14 -4.93 121.20 119.97 1l3n s ILE 99 Ca 0.25 -0.80 0.02 0.00 -1.10 0.00 0.00 60.65 59.01 1l3n s ILE 99 Cb 0.30 -3.51 0.01 0.00 -1.06 0.00 0.00 42.46 38.19 1l3n s ILE 99 CO -0.06 -0.26 -0.06 -1.83 -0.10 0.00 0.00 174.94 172.64 1l3n s GLU 100 N -4.28 0.71 -0.05 2.79 -1.05 -1.26 -0.12 118.70 115.44 1l3n s GLU 100 Ca 0.44 -0.20 0.02 0.00 -0.15 0.00 0.00 54.97 55.09 1l3n s GLU 100 Cb -0.10 -0.70 0.01 0.00 -0.44 0.00 0.00 34.13 32.91 1l3n s GLU 100 CO 0.33 0.05 -0.09 -0.51 0.95 0.00 0.00 175.26 175.99 1l3n s ASP 101 N 0.30 1.41 -0.30 0.83 1.01 -0.35 -4.94 116.67 114.64 1l3n s ASP 101 Ca -0.04 -0.22 0.09 0.00 0.71 0.00 0.00 52.55 53.09 1l3n s ASP 101 Cb -0.08 -0.61 0.70 0.00 1.01 0.00 0.00 42.92 43.94 1l3n s ASP 101 CO 0.00 0.01 1.73 -1.54 0.21 0.00 0.00 175.17 175.59 1l3n n SER 102 N 3.77 4.67 -0.53 0.27 3.41 -1.26 -0.27 113.62 123.68 1l3n n SER 102 Ca -0.23 -3.12 -0.00 0.00 -0.26 0.00 0.00 58.87 55.26 1l3n n SER 102 Cb 0.52 -0.73 -0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1l3n n SER 102 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1l3n n VAL 103 N -0.09 0.00 -5.10 -3.33 3.14 -1.26 -5.01 118.33 106.68 1l3n n VAL 103 Ca 0.38 -0.02 -0.30 0.00 -2.96 0.00 0.00 64.34 61.44 1l3n n VAL 103 Cb 1.32 0.29 -0.16 0.00 -1.06 0.00 0.00 33.84 34.22 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 0.00 1.82 -0.12 1.55 1.09 -1.26 -4.93 121.20 119.35 1l3n s ILE 104 Ca 0.01 -0.93 -0.05 0.00 -1.10 0.00 0.00 60.65 58.58 1l3n s ILE 104 Cb 0.01 -1.55 0.05 0.00 -1.06 0.00 0.00 42.46 39.91 1l3n s ILE 104 CO -0.00 0.51 0.25 -0.44 -0.10 0.00 0.00 174.94 175.16 1l3n s SER 105 N -0.01 -0.00 0.16 3.58 0.01 -1.26 -4.72 113.70 111.46 1l3n s SER 105 Ca -0.06 0.56 -0.16 0.00 1.31 0.00 0.00 55.95 57.60 1l3n s SER 105 Cb -0.14 0.53 0.10 0.00 0.21 0.00 0.00 66.02 66.73 1l3n s SER 105 CO 0.04 -0.20 1.71 -0.07 0.41 0.00 0.00 173.24 175.13 1l3n h LEU 106 N 7.66 -0.07 -8.98 2.44 4.07 -1.95 0.18 115.31 118.67 1l3n h LEU 106 Ca -0.29 0.08 -0.44 0.00 0.08 0.00 0.00 57.88 57.30 1l3n h LEU 106 Cb 1.14 0.12 -0.14 0.00 1.08 0.00 0.00 40.66 42.86 1l3n h LEU 106 CO 0.27 0.00 -0.53 -0.55 -1.08 0.00 0.00 178.44 176.55 1l3n s SER 107 N -5.28 1.63 0.00 -0.43 0.15 -1.26 -3.27 113.70 105.23 1l3n s SER 107 Ca -0.13 -1.64 0.00 0.00 0.70 0.00 0.00 55.95 54.88 1l3n s SER 107 Cb 0.13 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1l3n s SER 107 CO 0.71 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1l3n n GLY 108 N -0.61 1.33 1.10 9.45 0.00 -1.26 -4.43 105.19 110.76 1l3n n GLY 108 Ca 0.03 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.10 -0.03 1.61 -0.08 -1.26 -4.82 116.55 112.07 1l3n n ASP 109 Ca 0.00 0.02 -0.16 0.00 -1.51 0.00 0.00 54.79 53.13 1l3n n ASP 109 Cb 0.00 -0.03 -0.08 0.00 2.34 0.00 0.00 41.12 43.35 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 0.79 -6.50 -0.67 -0.00 -1.84 -3.47 115.15 103.45 1l3n h HIS 110 Ca 0.00 -0.35 -0.50 0.00 -0.00 0.00 0.00 60.37 59.52 1l3n h HIS 110 Cb 0.81 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 28.09 1l3n h HIS 110 CO 0.00 1.14 -0.93 0.45 -0.00 0.00 0.00 177.93 178.59 1l3n n SER 111 N -4.16 -2.51 0.00 2.45 2.88 -0.84 -4.80 113.62 106.63 1l3n n SER 111 Ca -0.08 -1.07 0.00 0.00 -1.33 0.00 0.00 58.87 56.39 1l3n n SER 111 Cb 0.64 -2.88 0.00 0.00 -0.75 0.00 0.00 64.21 61.22 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 -4.43 0.78 -1.59 2.46 -5.35 0.56 -4.76 119.36 107.03 1l3n n ILE 112 Ca -0.21 0.19 -0.41 0.00 -0.27 0.00 0.00 62.75 62.05 1l3n n ILE 112 Cb 0.64 -1.19 0.01 0.00 -1.74 0.00 0.00 39.64 37.35 1l3n n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1l3n n ILE 113 N -1.19 2.43 -0.91 7.28 -0.00 -1.22 -2.98 119.36 122.76 1l3n n ILE 113 Ca 0.00 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.25 1l3n n ILE 113 Cb 0.00 -1.09 0.00 0.00 -0.00 0.00 0.00 39.64 38.55 1l3n n ILE 113 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1l3n n GLY 114 N 1.25 0.65 3.94 7.39 0.00 -0.36 -5.01 105.19 113.06 1l3n n GLY 114 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.09 1.84 -0.29 1.61 3.00 -1.16 -3.80 118.95 120.06 1l3n s ARG 115 Ca 0.00 -0.43 0.03 0.00 0.00 0.00 0.00 55.73 55.32 1l3n s ARG 115 Cb 0.00 -2.14 0.08 0.00 0.00 0.00 0.00 34.95 32.89 1l3n s ARG 115 CO 0.00 -1.48 -0.01 0.99 0.00 0.00 0.00 175.30 174.80 1l3n s THR 116 N -3.34 1.95 0.19 0.02 2.01 0.28 -0.66 115.64 116.09 1l3n s THR 116 Ca 0.64 -1.83 -0.32 0.00 0.31 0.00 0.00 61.69 60.48 1l3n s THR 116 Cb -0.09 -2.29 -0.11 0.00 0.01 0.00 0.00 72.50 70.02 1l3n s THR 116 CO 0.46 -0.36 1.64 -0.76 -0.69 0.00 0.00 174.62 174.91 1l3n s LEU 117 N 1.13 4.37 -0.08 4.42 2.01 0.11 -4.00 118.68 126.63 1l3n s LEU 117 Ca 0.02 2.74 0.05 0.00 0.01 0.00 0.00 54.13 56.95 1l3n s LEU 117 Cb -0.19 -3.60 -0.01 0.00 0.01 0.00 0.00 46.19 42.41 1l3n s LEU 117 CO -0.09 -0.89 -0.24 -0.69 1.01 0.00 0.00 176.35 175.45 1l3n s VAL 118 N 1.13 2.12 -0.26 -1.59 1.01 0.16 -0.58 120.40 122.38 1l3n s VAL 118 Ca 0.72 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.58 1l3n s VAL 118 Cb -0.46 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 1l3n s VAL 118 CO 0.32 0.56 0.16 0.54 0.00 0.00 0.00 175.10 176.68 1l3n s VAL 119 N 0.09 5.17 0.32 2.92 0.11 0.07 -3.00 120.40 126.07 1l3n s VAL 119 Ca -0.11 0.12 0.07 0.00 -2.93 0.00 0.00 61.98 59.13 1l3n s VAL 119 Cb -0.16 -3.44 -0.03 0.00 -1.53 0.00 0.00 36.38 31.23 1l3n s VAL 119 CO 0.06 0.30 0.27 -1.00 -3.33 0.00 0.00 175.10 171.40 1l3n s HIS 120 N 1.48 2.93 0.16 1.54 3.76 -0.07 -2.43 115.29 122.66 1l3n s HIS 120 Ca 0.07 -0.27 -0.27 0.00 -0.15 0.00 0.00 55.06 54.43 1l3n s HIS 120 Cb -0.15 -1.72 -0.00 0.00 1.11 0.00 0.00 32.58 31.82 1l3n s HIS 120 CO 0.08 0.25 1.56 1.49 -0.85 0.00 0.00 174.74 177.27 1l3n h GLU 121 N 1.30 -0.25 -5.18 1.40 4.81 -0.63 -3.28 114.58 112.74 1l3n h GLU 121 Ca -0.45 0.02 -0.57 0.00 -0.13 0.00 0.00 59.36 58.22 1l3n h GLU 121 Cb 1.25 0.06 -0.13 0.00 0.63 0.00 0.00 28.75 30.56 1l3n h GLU 121 CO 0.59 -0.17 -0.55 0.15 -0.73 0.00 0.00 179.01 178.30 1l3n s LYS 122 N -5.78 1.93 0.56 1.92 1.02 0.64 -4.81 119.74 115.22 1l3n s LYS 122 Ca -0.14 -2.16 -0.18 0.00 0.02 0.00 0.00 55.97 53.51 1l3n s LYS 122 Cb 0.12 -0.99 -0.05 0.00 -0.52 0.00 0.00 37.83 36.39 1l3n s LYS 122 CO 0.65 -0.34 1.07 0.00 -0.92 0.00 0.00 175.35 175.82 1l3n s ALA 123 N -3.10 2.73 0.29 5.17 0.00 -1.18 0.20 121.76 125.86 1l3n s ALA 123 Ca 0.24 0.56 -0.22 0.00 0.00 0.00 0.00 51.96 52.53 1l3n s ALA 123 Cb 0.05 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.80 1l3n s ALA 123 CO 0.12 -0.74 0.84 -0.51 0.00 0.00 0.00 175.76 175.48 1l3n s ASP 124 N -2.34 7.14 0.25 0.00 1.11 -1.26 -3.56 116.67 118.00 1l3n s ASP 124 Ca 0.67 1.61 0.25 0.00 0.18 0.00 0.00 52.55 55.26 1l3n s ASP 124 Cb -0.18 -2.49 0.62 0.00 1.07 0.00 0.00 42.92 41.94 1l3n s ASP 124 CO 0.31 -0.07 1.66 0.44 1.18 0.00 0.00 175.17 178.69 1l3n h ASP 125 N 3.07 0.00 -5.61 0.27 3.32 -1.87 -3.45 116.42 112.15 1l3n h ASP 125 Ca -0.48 -0.03 -0.20 0.00 0.02 0.00 0.00 57.03 56.35 1l3n h ASP 125 Cb 1.19 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.84 1l3n h ASP 125 CO 0.65 0.01 -0.58 0.18 -1.72 0.00 0.00 179.24 177.78 1l3n n LEU 126 N -2.44 -5.43 0.00 1.55 4.77 -1.26 -2.61 117.00 111.58 1l3n n LEU 126 Ca 0.05 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1l3n n LEU 126 Cb 0.46 -3.04 0.00 0.00 -2.33 0.00 0.00 43.42 38.51 1l3n n LEU 126 CO 0.32 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 1l3n n GLY 127 N -1.52 1.64 1.32 -0.72 0.00 -1.00 -4.71 105.19 100.21 1l3n n GLY 127 Ca -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1l3n n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1l3n n LYS 128 N 0.00 0.94 0.00 1.61 5.02 -1.07 -2.96 118.16 121.69 1l3n n LYS 128 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.39 1l3n n LYS 128 Cb 0.00 -1.03 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 1l3n n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1l3n n GLY 129 N 1.14 -0.45 4.22 0.72 0.00 -1.26 -4.93 105.19 104.64 1l3n n GLY 129 Ca 0.00 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 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 1.45 -0.16 3.64 -0.02 0.00 -1.16 -4.76 105.19 104.18 1l3n n GLY 130 Ca 0.07 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.33 0.07 0.23 1.61 2.20 -1.26 -4.97 114.94 108.48 1l3n s ASN 131 Ca 0.04 -1.01 -0.13 0.00 -0.94 0.00 0.00 52.86 50.82 1l3n s ASN 131 Cb -0.02 0.65 0.29 0.00 -2.00 0.00 0.00 41.25 40.17 1l3n s ASN 131 CO 0.97 -1.27 1.60 -0.33 -2.94 0.00 0.00 177.10 175.13 1l3n h GLU 132 N 2.16 -0.02 0.00 3.55 3.07 -1.98 0.26 114.58 121.63 1l3n h GLU 132 Ca -0.26 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.52 1l3n h GLU 132 Cb 1.25 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.15 1l3n h GLU 132 CO 0.35 -0.01 -0.36 0.93 -1.40 0.00 0.00 179.01 178.52 1l3n h GLU 133 N -0.02 0.00 -0.89 2.33 3.07 -1.96 -2.31 114.58 114.81 1l3n h GLU 133 Ca 0.35 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 59.33 1l3n h GLU 133 Cb 0.56 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.40 1l3n h GLU 133 CO -0.78 0.36 0.57 0.66 -1.40 0.00 0.00 179.01 178.43 1l3n h SER 134 N 0.00 0.72 0.01 1.42 4.64 -0.41 0.47 113.55 120.40 1l3n h SER 134 Ca -0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1l3n h SER 134 Cb 0.71 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1l3n h SER 134 CO 0.05 0.39 -0.01 1.07 -0.87 0.00 0.00 176.83 177.46 1l3n n THR 135 N -4.55 0.00 -0.00 2.95 5.66 -0.88 -2.90 114.28 114.56 1l3n n THR 135 Ca 0.16 -0.15 -0.01 0.00 -3.05 0.00 0.00 64.05 61.00 1l3n n THR 135 Cb 0.39 0.09 -0.00 0.00 -1.55 0.00 0.00 70.33 69.26 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 -0.33 0.08 -0.49 1.09 5.02 0.09 -0.83 118.16 122.79 1l3n n LYS 136 Ca 0.21 0.03 0.05 0.00 -2.02 0.00 0.00 58.31 56.58 1l3n n LYS 136 Cb 0.26 -0.45 0.09 0.00 -0.02 0.00 0.00 35.03 34.91 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 -3.00 1.09 0.00 -0.18 -2.24 0.14 -4.61 114.28 105.49 1l3n n THR 137 Ca -0.02 -1.55 0.00 0.00 -2.27 0.00 0.00 64.05 60.21 1l3n n THR 137 Cb 0.08 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 -0.67 1.32 1.69 3.38 0.00 -0.32 -1.70 105.19 108.89 1l3n n GLY 138 Ca 0.10 0.33 -0.01 0.00 0.00 0.00 0.00 46.02 46.44 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 4.19 -0.53 0.11 1.61 2.85 -1.26 -3.09 115.26 119.14 1l3n n ASN 139 Ca 0.00 -1.32 0.11 0.00 -0.11 0.00 0.00 54.58 53.26 1l3n n ASN 139 Cb 0.00 0.23 0.47 0.00 1.24 0.00 0.00 39.78 41.72 1l3n n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1l3n n ALA 140 N -0.47 1.54 -0.32 5.20 0.00 -0.69 -4.62 120.51 121.15 1l3n n ALA 140 Ca -0.08 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1l3n n ALA 140 Cb 0.60 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1l3n n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1l3n n GLY 141 N -0.25 -1.14 3.68 0.00 0.00 -1.26 -0.26 105.19 105.95 1l3n n GLY 141 Ca 0.02 -1.21 -0.46 0.00 0.00 0.00 0.00 46.02 44.37 1l3n n GLY 141 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1l3n n SER 142 N -0.67 3.28 -4.06 1.61 2.88 -1.26 -4.47 113.62 110.93 1l3n n SER 142 Ca 0.00 1.06 -0.34 0.00 -1.33 0.00 0.00 58.87 58.26 1l3n n SER 142 Cb 0.00 -1.44 -0.08 0.00 -0.75 0.00 0.00 64.21 61.94 1l3n n SER 142 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1l3n n ARG 143 N 3.92 1.04 -0.22 -1.46 1.74 -1.26 -0.27 116.66 120.14 1l3n n ARG 143 Ca 0.17 -1.87 0.00 0.00 -0.77 0.00 0.00 57.85 55.39 1l3n n ARG 143 Cb 0.30 -3.26 0.08 0.00 -1.02 0.00 0.00 32.46 28.55 1l3n n ARG 143 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1l3n h LEU 144 N 17.24 -0.58 -7.47 0.55 3.38 -1.83 -3.45 115.31 123.15 1l3n h LEU 144 Ca 0.26 0.20 -0.08 0.00 0.09 0.00 0.00 57.88 58.35 1l3n h LEU 144 Cb 0.81 0.40 -0.16 0.00 0.09 0.00 0.00 40.66 41.80 1l3n h LEU 144 CO 1.59 -0.21 -0.17 0.00 0.09 0.00 0.00 178.44 179.74 1l3n s ALA 145 N -6.22 -0.83 0.20 1.53 0.00 -1.02 -3.79 121.76 111.63 1l3n s ALA 145 Ca -0.14 0.11 -0.18 0.00 0.00 0.00 0.00 51.96 51.74 1l3n s ALA 145 Cb 0.20 0.38 0.03 0.00 0.00 0.00 0.00 23.12 23.73 1l3n s ALA 145 CO 0.74 -0.46 0.54 0.00 0.00 0.00 0.00 175.76 176.58 1l3n s GLY 147 N -2.88 -0.14 0.01 0.00 0.00 0.25 -0.76 107.32 103.80 1l3n s GLY 147 Ca 0.09 -0.14 0.07 0.00 0.00 0.00 0.00 44.72 44.74 1l3n s GLY 147 CO -0.02 -0.04 -0.20 0.14 0.00 0.00 0.00 173.10 172.98 1l3n s VAL 148 N -3.63 2.62 -0.25 1.40 1.01 -1.26 0.07 120.40 120.37 1l3n s VAL 148 Ca 0.12 -1.10 -0.26 0.00 0.00 0.00 0.00 61.98 60.73 1l3n s VAL 148 Cb -0.04 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1l3n s VAL 148 CO 0.05 0.44 0.91 -0.63 0.00 0.00 0.00 175.10 175.87 1l3n s ILE 149 N -0.81 4.76 0.10 2.22 1.01 0.17 -4.38 121.20 124.27 1l3n s ILE 149 Ca 0.13 1.71 0.02 0.00 0.00 0.00 0.00 60.65 62.51 1l3n s ILE 149 Cb -0.10 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 1l3n s ILE 149 CO 0.03 -0.14 -0.07 -0.83 0.00 0.00 0.00 174.94 173.92 1l3n s GLY 150 N 1.33 0.81 0.51 6.18 0.00 -0.55 -1.22 107.32 114.37 1l3n s GLY 150 Ca 0.38 -1.36 -0.19 0.00 0.00 0.00 0.00 44.72 43.55 1l3n s GLY 150 CO 0.08 -1.46 1.05 -0.42 0.00 0.00 0.00 173.10 172.34 1l3n s ILE 151 N -3.52 3.74 0.00 0.90 1.01 -1.26 -0.79 121.20 121.28 1l3n s ILE 151 Ca 0.12 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.80 1l3n s ILE 151 Cb 0.04 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 39.09 1l3n s ILE 151 CO -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 174.94 174.62 1l3n n ALA 152 N -1.20 0.00 0.00 9.38 0.00 0.55 -4.74 120.51 124.51 1l3n n ALA 152 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1l3n n ALA 152 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1l3n n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44