#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 0.16 -4.11 0.00 5.66 -1.25 -4.58 114.28 110.15 1l3n n THR 2 Ca 0.00 -0.40 -0.12 0.00 -3.05 0.00 0.00 64.05 60.48 1l3n n THR 2 Cb 0.00 0.02 -0.07 0.00 -1.55 0.00 0.00 70.33 68.73 1l3n n THR 2 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1l3n s LYS 3 N -2.99 1.51 0.23 1.09 -2.85 -1.04 -0.01 119.74 115.68 1l3n s LYS 3 Ca -0.06 -1.56 -0.13 0.00 -1.00 0.00 0.00 55.97 53.22 1l3n s LYS 3 Cb 0.09 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 1l3n s LYS 3 CO 0.65 -0.58 0.46 0.00 0.10 0.00 0.00 175.35 175.98 1l3n s ALA 4 N -3.82 -0.33 0.19 0.59 0.00 0.14 -0.47 121.76 118.05 1l3n s ALA 4 Ca 0.32 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.54 1l3n s ALA 4 Cb 0.02 1.00 -0.05 0.00 0.00 0.00 0.00 23.12 24.10 1l3n s ALA 4 CO 0.14 -0.82 -0.02 0.14 0.00 0.00 0.00 175.76 175.20 1l3n s VAL 5 N -3.99 0.92 -0.08 0.00 -7.23 0.85 -0.50 120.40 110.38 1l3n s VAL 5 Ca 0.19 -2.02 -0.03 0.00 -1.81 0.00 0.00 61.98 58.32 1l3n s VAL 5 Cb -0.00 -2.16 0.04 0.00 0.56 0.00 0.00 36.38 34.81 1l3n s VAL 5 CO 0.06 -0.46 0.07 0.00 -0.31 0.00 0.00 175.10 174.46 1l3n s ALA 6 N -3.49 0.29 -0.54 1.32 0.00 0.00 -0.85 121.76 118.49 1l3n s ALA 6 Ca 0.24 0.04 -0.18 0.00 0.00 0.00 0.00 51.96 52.06 1l3n s ALA 6 Cb 0.05 -0.75 0.08 0.00 0.00 0.00 0.00 23.12 22.51 1l3n s ALA 6 CO 0.05 -0.70 0.62 0.14 0.00 0.00 0.00 175.76 175.87 1l3n s VAL 7 N 2.16 4.93 -0.05 0.00 -7.23 -1.26 -1.38 120.40 117.56 1l3n s VAL 7 Ca 0.04 -0.85 -0.17 0.00 -1.81 0.00 0.00 61.98 59.19 1l3n s VAL 7 Cb -0.13 -4.36 -0.05 0.00 0.56 0.00 0.00 36.38 32.40 1l3n s VAL 7 CO -0.05 -0.91 0.45 -0.76 -0.31 0.00 0.00 175.10 173.52 1l3n s LEU 8 N 2.44 4.38 0.11 1.32 1.02 0.79 -4.07 118.68 124.67 1l3n s LEU 8 Ca 0.11 0.90 -0.07 0.00 0.02 0.00 0.00 54.13 55.09 1l3n s LEU 8 Cb -0.23 -2.65 -0.01 0.00 0.02 0.00 0.00 46.19 43.32 1l3n s LEU 8 CO 0.08 0.16 0.18 -0.54 0.02 0.00 0.00 176.35 176.25 1l3n s LYS 9 N -0.24 0.93 0.25 1.70 1.02 -0.26 -0.38 119.74 122.77 1l3n s LYS 9 Ca 0.25 -1.13 0.00 0.00 0.02 0.00 0.00 55.97 55.11 1l3n s LYS 9 Cb -0.16 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 1l3n s LYS 9 CO 0.12 -0.30 0.00 0.41 -0.92 0.00 0.00 175.35 174.66 1l3n n GLY 10 N -0.09 -1.64 0.16 -3.33 0.00 -1.26 -0.63 105.19 98.41 1l3n n GLY 10 Ca -0.11 0.49 -0.16 0.00 0.00 0.00 0.00 46.02 46.24 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 0.58 0.00 1.61 5.19 -1.81 -3.49 116.42 118.51 1l3n h ASP 11 Ca 0.00 -0.64 0.00 0.00 -0.62 0.00 0.00 57.03 55.77 1l3n h ASP 11 Cb 0.00 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.34 1l3n h ASP 11 CO 0.00 1.13 0.00 0.61 -3.12 0.00 0.00 179.24 177.86 1l3n n GLY 12 N 0.70 2.49 0.37 2.75 0.00 -1.26 -4.88 105.19 105.36 1l3n n GLY 12 Ca -0.08 -0.50 0.02 0.00 0.00 0.00 0.00 46.02 45.46 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 1.08 -6.08 1.61 0.13 -1.93 -3.39 132.00 123.42 1l3n h PRO 13 Ca 0.00 -0.06 -0.56 0.00 -0.87 0.00 0.00 66.00 64.50 1l3n h PRO 13 Cb 0.00 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 30.87 1l3n h PRO 13 CO 0.00 0.71 1.40 0.08 -0.23 0.00 0.00 178.00 179.96 1l3n s VAL 14 N -5.95 3.25 -0.19 1.56 1.01 -1.26 -4.02 120.40 114.80 1l3n s VAL 14 Ca -0.12 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.11 1l3n s VAL 14 Cb 0.19 -3.37 0.04 0.00 0.00 0.00 0.00 36.38 33.24 1l3n s VAL 14 CO 0.80 -0.26 -0.14 0.00 0.00 0.00 0.00 175.10 175.50 1l3n s GLN 15 N 6.29 2.35 -0.19 2.72 -2.07 -0.06 -3.98 119.66 124.72 1l3n s GLN 15 Ca 0.88 -0.86 -0.09 0.00 -1.82 0.00 0.00 55.36 53.47 1l3n s GLN 15 Cb -0.25 -2.47 -0.05 0.00 -1.09 0.00 0.00 33.01 29.15 1l3n s GLN 15 CO 0.32 -0.36 0.12 0.20 -1.32 0.00 0.00 175.29 174.26 1l3n s GLY 16 N 1.34 2.04 -0.41 2.60 0.00 0.49 -0.97 107.32 112.41 1l3n s GLY 16 Ca 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 44.72 44.05 1l3n s GLY 16 CO -0.09 0.06 0.23 -0.42 0.00 0.00 0.00 173.10 172.88 1l3n s ILE 17 N 0.18 0.98 -0.07 0.90 1.01 -1.25 -0.15 121.20 122.80 1l3n s ILE 17 Ca 0.08 -2.30 -0.03 0.00 0.00 0.00 0.00 60.65 58.41 1l3n s ILE 17 Cb -0.11 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1l3n s ILE 17 CO -0.01 -0.94 0.07 -0.63 0.00 0.00 0.00 174.94 173.43 1l3n s ILE 18 N 0.56 4.78 -0.14 2.92 -1.09 -0.48 -1.16 121.20 126.59 1l3n s ILE 18 Ca 0.18 -0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 1l3n s ILE 18 Cb -0.23 -3.09 0.03 0.00 -1.58 0.00 0.00 42.46 37.58 1l3n s ILE 18 CO -0.00 0.52 -0.11 0.20 -1.23 0.00 0.00 174.94 174.32 1l3n s ASN 19 N -1.22 2.56 -0.27 3.58 0.02 0.50 -0.82 114.94 119.30 1l3n s ASN 19 Ca 0.17 -0.46 -0.10 0.00 -1.02 0.00 0.00 52.86 51.45 1l3n s ASN 19 Cb -0.12 -1.05 -0.05 0.00 0.02 0.00 0.00 41.25 40.06 1l3n s ASN 19 CO 0.07 -0.09 0.16 -0.36 0.02 0.00 0.00 177.10 176.90 1l3n s PHE 20 N 1.57 3.21 0.00 2.20 0.40 0.34 -1.32 117.98 124.39 1l3n s PHE 20 Ca 0.04 0.03 0.05 0.00 -0.60 0.00 0.00 56.93 56.45 1l3n s PHE 20 Cb -0.13 -2.34 -0.03 0.00 0.51 0.00 0.00 43.02 41.03 1l3n s PHE 20 CO -0.10 -0.17 -0.13 -2.00 0.70 0.00 0.00 175.22 173.53 1l3n s GLU 21 N 1.64 2.37 -0.36 0.44 2.12 -0.21 -0.69 118.70 124.02 1l3n s GLU 21 Ca 0.07 -0.81 0.01 0.00 0.36 0.00 0.00 54.97 54.61 1l3n s GLU 21 Cb -0.16 -2.36 0.11 0.00 0.26 0.00 0.00 34.13 31.98 1l3n s GLU 21 CO 0.09 0.59 0.12 -1.14 -0.54 0.00 0.00 175.26 174.38 1l3n s GLN 22 N -1.25 1.12 0.13 4.30 2.00 0.99 -1.52 119.66 125.42 1l3n s GLN 22 Ca 0.15 -1.58 -0.19 0.00 -2.00 0.00 0.00 55.36 51.74 1l3n s GLN 22 Cb -0.11 -2.48 -0.02 0.00 0.80 0.00 0.00 33.01 31.20 1l3n s GLN 22 CO 0.05 -1.02 1.76 1.57 -0.50 0.00 0.00 175.29 177.15 1l3n h LYS 23 N 7.58 0.23 -4.42 1.67 2.10 -1.83 -3.42 116.57 118.48 1l3n h LYS 23 Ca -0.08 -0.01 -0.19 0.00 -2.00 0.00 0.00 60.65 58.37 1l3n h LYS 23 Cb 0.99 -0.05 -0.15 0.00 -0.90 0.00 0.00 32.23 32.12 1l3n h LYS 23 CO 0.50 0.15 -0.61 -2.00 -2.00 0.00 0.00 179.45 175.49 1l3n s GLU 24 N -6.17 1.02 0.58 0.07 -6.30 -1.26 -5.00 118.70 101.64 1l3n s GLU 24 Ca -0.13 -1.47 0.38 0.00 -2.50 0.00 0.00 54.97 51.25 1l3n s GLU 24 Cb 0.10 0.26 1.82 0.00 0.00 0.00 0.00 34.13 36.31 1l3n s GLU 24 CO 0.70 -0.31 2.13 1.03 0.02 0.00 0.00 175.26 178.83 1l3n h SER 25 N 2.77 0.00 1.54 -1.70 0.87 -1.97 0.68 113.55 115.73 1l3n h SER 25 Ca -0.35 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.12 1l3n h SER 25 Cb 1.21 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.16 1l3n h SER 25 CO 0.56 0.00 -0.47 0.78 -0.53 0.00 0.00 176.83 177.17 1l3n h ASN 26 N 0.00 0.00 -4.20 6.23 2.35 -1.98 -3.47 115.58 114.51 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 0.25 0.00 0.11 0.00 0.05 0.00 0.00 38.32 38.73 1l3n h ASN 26 CO 0.00 0.41 0.37 -0.83 -1.65 0.00 0.00 177.43 175.74 1l3n s GLY 27 N -4.43 2.15 0.48 2.83 0.00 0.23 -5.02 107.32 103.55 1l3n s GLY 27 Ca 0.04 0.55 -0.22 0.00 0.00 0.00 0.00 44.72 45.10 1l3n s GLY 27 CO 0.74 0.91 1.13 2.56 0.00 0.00 0.00 173.10 178.43 1l3n s PRO 28 N -4.11 3.70 -0.03 2.90 0.04 -1.26 -4.86 135.00 131.39 1l3n s PRO 28 Ca 0.67 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 63.06 1l3n s PRO 28 Cb -0.21 -2.28 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 1l3n s PRO 28 CO 0.42 -0.57 1.00 0.08 0.04 0.00 0.00 177.00 177.98 1l3n s VAL 29 N -1.67 4.79 -0.19 -0.36 1.01 0.10 -4.66 120.40 119.42 1l3n s VAL 29 Ca 0.66 2.02 -0.05 0.00 0.00 0.00 0.00 61.98 64.61 1l3n s VAL 29 Cb -0.25 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.81 1l3n s VAL 29 CO 0.30 0.11 -0.01 -0.75 0.00 0.00 0.00 175.10 174.75 1l3n s LYS 30 N 1.31 3.60 -0.37 2.72 2.20 -0.58 -0.85 119.74 127.78 1l3n s LYS 30 Ca 0.51 -0.53 -0.05 0.00 -0.36 0.00 0.00 55.97 55.54 1l3n s LYS 30 Cb -0.21 -3.04 0.07 0.00 -1.51 0.00 0.00 37.83 33.14 1l3n s LYS 30 CO 0.25 0.03 0.14 0.14 -0.36 0.00 0.00 175.35 175.55 1l3n s VAL 31 N 0.94 3.51 0.39 4.02 -7.23 0.57 -1.04 120.40 121.56 1l3n s VAL 31 Ca 0.01 -1.53 0.08 0.00 -1.81 0.00 0.00 61.98 58.73 1l3n s VAL 31 Cb -0.14 -3.15 -0.06 0.00 0.56 0.00 0.00 36.38 33.58 1l3n s VAL 31 CO 0.02 -0.38 0.06 -1.66 -0.31 0.00 0.00 175.10 172.83 1l3n s TRP 32 N 1.29 2.55 0.00 2.82 -2.14 -0.43 -0.62 118.94 122.41 1l3n s TRP 32 Ca 0.01 -0.58 0.00 0.00 2.66 0.00 0.00 56.10 58.19 1l3n s TRP 32 Cb -0.21 -1.75 0.00 0.00 -3.10 0.00 0.00 33.47 28.41 1l3n s TRP 32 CO -0.00 0.38 0.00 0.41 -2.66 0.00 0.00 176.95 175.07 1l3n n GLY 33 N -1.04 -0.26 2.76 3.67 0.00 0.13 -0.37 105.19 110.07 1l3n n GLY 33 Ca -0.03 -1.03 -0.17 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 1.47 0.95 1.61 1.04 -0.31 -0.66 113.70 117.80 1l3n s SER 34 Ca 0.00 -1.12 -0.15 0.00 0.48 0.00 0.00 55.95 55.16 1l3n s SER 34 Cb 0.00 0.52 0.17 0.00 0.10 0.00 0.00 66.02 66.81 1l3n s SER 34 CO 0.00 -0.33 1.22 0.27 0.98 0.00 0.00 173.24 175.37 1l3n s ILE 35 N 1.95 1.95 0.06 -1.02 -4.36 -1.03 -3.81 121.20 114.94 1l3n s ILE 35 Ca 0.13 0.00 -0.21 0.00 -0.26 0.00 0.00 60.65 60.30 1l3n s ILE 35 Cb -0.15 -2.87 0.05 0.00 1.25 0.00 0.00 42.46 40.74 1l3n s ILE 35 CO -0.20 0.00 0.50 -1.59 0.24 0.00 0.00 174.94 173.89 1l3n s LYS 36 N -5.61 1.05 0.00 0.37 -2.85 -0.15 -3.62 119.74 108.94 1l3n s LYS 36 Ca 0.68 -0.32 0.00 0.00 -1.00 0.00 0.00 55.97 55.33 1l3n s LYS 36 Cb -0.09 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.16 1l3n s LYS 36 CO 0.53 -0.39 0.00 0.41 0.10 0.00 0.00 175.35 176.00 1l3n n GLY 37 N 0.28 2.31 3.68 0.59 0.00 -1.19 -0.89 105.19 109.97 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 1.15 0.61 0.99 1.02 -1.24 -4.19 118.68 117.01 1l3n s LEU 38 Ca 0.00 0.39 0.04 0.00 0.02 0.00 0.00 54.13 54.58 1l3n s LEU 38 Cb 0.00 -2.11 0.08 0.00 0.02 0.00 0.00 46.19 44.19 1l3n s LEU 38 CO 0.00 -3.95 0.84 0.28 0.02 0.00 0.00 176.35 173.54 1l3n s THR 39 N -3.29 2.33 1.32 5.49 -1.32 -1.26 -2.89 115.64 116.02 1l3n s THR 39 Ca 0.74 -0.79 -0.20 0.00 -1.21 0.00 0.00 61.69 60.23 1l3n s THR 39 Cb -0.06 -2.54 0.33 0.00 -1.51 0.00 0.00 72.50 68.72 1l3n s THR 39 CO 0.55 0.00 0.99 -0.70 -2.21 0.00 0.00 174.62 173.25 1l3n s GLU 40 N -4.82 -2.11 0.37 7.08 2.12 -1.25 -4.55 118.70 115.53 1l3n s GLU 40 Ca 0.62 0.22 0.00 0.00 0.36 0.00 0.00 54.97 56.17 1l3n s GLU 40 Cb -0.07 -1.47 0.00 0.00 0.26 0.00 0.00 34.13 32.86 1l3n s GLU 40 CO 0.40 -4.36 0.00 0.41 -0.54 0.00 0.00 175.26 171.18 1l3n n GLY 41 N 0.66 -2.39 3.76 -1.50 0.00 -0.65 -4.76 105.19 100.31 1l3n n GLY 41 Ca 0.11 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.00 0.99 2.01 -1.26 -0.33 118.68 124.64 1l3n s LEU 42 Ca 0.00 2.09 0.03 0.00 0.01 0.00 0.00 54.13 56.26 1l3n s LEU 42 Cb 0.00 -3.68 -0.01 0.00 0.01 0.00 0.00 46.19 42.51 1l3n s LEU 42 CO 0.00 -0.03 -0.09 -1.00 1.01 0.00 0.00 176.35 176.24 1l3n s HIS 43 N -1.23 0.82 -0.15 0.29 3.76 0.61 -2.26 115.29 117.13 1l3n s HIS 43 Ca 0.44 -0.17 -0.41 0.00 -0.15 0.00 0.00 55.06 54.77 1l3n s HIS 43 Cb -0.28 -0.53 -0.18 0.00 1.11 0.00 0.00 32.58 32.70 1l3n s HIS 43 CO 0.35 -0.01 1.40 0.41 -0.85 0.00 0.00 174.74 176.04 1l3n n GLY 44 N 2.76 0.25 2.76 -2.22 0.00 0.75 -0.77 105.19 108.71 1l3n n GLY 44 Ca -0.14 0.84 -0.18 0.00 0.00 0.00 0.00 46.02 46.54 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 1.55 -0.31 0.30 1.61 2.19 -1.26 -0.36 117.98 121.71 1l3n s PHE 45 Ca 0.94 0.23 -0.15 0.00 0.33 0.00 0.00 56.93 58.28 1l3n s PHE 45 Cb -1.20 -0.35 0.02 0.00 -1.31 0.00 0.00 43.02 40.18 1l3n s PHE 45 CO 0.62 -0.62 0.64 -1.01 1.83 0.00 0.00 175.22 176.68 1l3n s HIS 46 N 2.34 0.19 0.36 10.12 0.09 -0.52 -3.05 115.29 124.82 1l3n s HIS 46 Ca 0.07 -0.65 -0.09 0.00 -0.00 0.00 0.00 55.06 54.39 1l3n s HIS 46 Cb -0.16 0.50 -0.06 0.00 -0.00 0.00 0.00 32.58 32.86 1l3n s HIS 46 CO -0.13 -1.24 0.70 0.14 -0.00 0.00 0.00 174.74 174.21 1l3n s VAL 47 N -3.46 4.85 -0.41 -0.90 -7.23 -0.49 -0.39 120.40 112.37 1l3n s VAL 47 Ca 0.18 0.47 0.06 0.00 -1.81 0.00 0.00 61.98 60.88 1l3n s VAL 47 Cb -0.04 -3.72 0.20 0.00 0.56 0.00 0.00 36.38 33.39 1l3n s VAL 47 CO 0.10 -0.44 0.42 1.41 -0.31 0.00 0.00 175.10 176.29 1l3n n HIS 48 N -1.12 -0.57 0.00 2.82 8.25 0.15 -4.63 115.22 120.12 1l3n n HIS 48 Ca 0.01 -3.44 0.00 0.00 -0.26 0.00 0.00 57.72 54.03 1l3n n HIS 48 Cb 0.54 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.63 1l3n n HIS 48 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1l3n n GLU 49 N 2.20 0.00 -1.00 -0.41 2.13 -1.23 -3.97 120.64 118.36 1l3n n GLU 49 Ca 0.26 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 58.02 1l3n n GLU 49 Cb 0.50 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.24 1l3n n GLU 49 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1l3n n PHE 50 N 0.00 -3.38 -2.00 4.31 3.72 0.37 -4.73 117.46 115.76 1l3n n PHE 50 Ca 0.00 -0.40 0.02 0.00 -0.05 0.00 0.00 57.45 57.02 1l3n n PHE 50 Cb 0.00 -0.19 0.03 0.00 -0.94 0.00 0.00 39.48 38.38 1l3n n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1l3n n GLY 51 N 3.11 1.35 3.88 1.37 0.00 -1.09 0.17 105.19 113.98 1l3n n GLY 51 Ca 0.04 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 1l3n n GLY 51 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1l3n s ASP 52 N -1.57 6.23 0.00 1.61 -4.77 -1.26 -4.65 116.67 112.27 1l3n s ASP 52 Ca 0.14 1.26 0.09 0.00 -3.30 0.00 0.00 52.55 50.74 1l3n s ASP 52 Cb 0.15 -2.39 0.15 0.00 -1.09 0.00 0.00 42.92 39.73 1l3n s ASP 52 CO -0.04 -0.78 1.03 -3.20 0.70 0.00 0.00 175.17 172.87 1l3n n ASN 53 N -2.60 -0.19 -0.34 2.11 2.85 -1.26 -1.96 115.26 113.87 1l3n n ASN 53 Ca 0.04 -1.93 0.15 0.00 -0.11 0.00 0.00 54.58 52.73 1l3n n ASN 53 Cb 0.54 0.05 0.35 0.00 1.24 0.00 0.00 39.78 41.96 1l3n n ASN 53 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1l3n h THR 54 N 5.78 0.61 0.00 -0.44 2.02 -1.96 0.32 112.91 119.24 1l3n h THR 54 Ca -0.39 -0.22 -0.10 0.00 0.77 0.00 0.00 66.41 66.48 1l3n h THR 54 Cb 1.55 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1l3n h THR 54 CO -0.12 0.12 -0.57 0.00 0.37 0.00 0.00 175.52 175.31 1l3n h ALA 55 N 1.69 0.70 -0.85 6.16 0.00 -1.98 -3.50 119.26 121.48 1l3n h ALA 55 Ca 0.60 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1l3n h ALA 55 Cb 1.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1l3n h ALA 55 CO -0.44 0.56 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1l3n n GLY 56 N 1.23 -1.51 4.15 0.00 0.00 0.11 -4.86 105.19 104.30 1l3n n GLY 56 Ca 0.01 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 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 -4.66 0.00 -0.22 0.00 -1.04 -1.26 -4.95 114.28 102.15 1l3n n THR 58 Ca -0.25 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.77 1l3n n THR 58 Cb 0.65 -0.05 0.13 0.00 -1.82 0.00 0.00 70.33 69.24 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 0.24 -0.53 8.00 0.02 -1.82 -0.97 113.55 118.49 1l3n h SER 59 Ca 0.00 0.09 0.08 0.00 -0.84 0.00 0.00 61.79 61.12 1l3n h SER 59 Cb 0.00 0.07 -0.09 0.00 0.14 0.00 0.00 62.40 62.52 1l3n h SER 59 CO 0.00 0.13 -0.20 0.00 -1.14 0.00 0.00 176.83 175.62 1l3n n ALA 60 N -2.49 -0.04 0.00 3.77 0.00 -0.83 -4.85 120.51 116.08 1l3n n ALA 60 Ca 0.10 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1l3n n ALA 60 Cb 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.26 3.12 0.00 0.00 0.00 -0.37 -0.48 105.19 106.20 1l3n n GLY 61 Ca 0.06 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.71 0.63 -0.96 1.61 -0.04 -1.26 -4.65 135.00 129.62 1l3n n PRO 62 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1l3n n PRO 62 Cb 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.31 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 -0.76 0.03 -1.06 0.54 8.25 -1.26 -3.54 115.22 117.42 1l3n n HIS 63 Ca 0.00 -1.46 -0.26 0.00 -0.26 0.00 0.00 57.72 55.74 1l3n n HIS 63 Cb 0.00 -1.49 -0.07 0.00 1.12 0.00 0.00 29.99 29.55 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 2.37 1.40 -1.73 4.41 3.72 -1.26 -4.83 117.46 121.54 1l3n n PHE 64 Ca 0.39 -2.29 -0.38 0.00 -0.05 0.00 0.00 57.45 55.13 1l3n n PHE 64 Cb 0.87 -1.99 0.06 0.00 -0.94 0.00 0.00 39.48 37.48 1l3n n PHE 64 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1l3n n ASN 65 N 3.34 2.31 -0.02 4.37 0.23 -1.26 -4.66 115.26 119.57 1l3n n ASN 65 Ca 0.59 0.89 -0.11 0.00 -0.53 0.00 0.00 54.58 55.42 1l3n n ASN 65 Cb 0.41 -1.56 -0.05 0.00 -2.08 0.00 0.00 39.78 36.50 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 0.88 0.18 -2.91 -0.53 0.13 -1.98 -2.82 132.00 124.96 1l3n h PRO 66 Ca -0.51 -0.02 -0.48 0.00 -0.87 0.00 0.00 66.00 64.12 1l3n h PRO 66 Cb 1.33 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.43 1l3n h PRO 66 CO 0.55 0.20 2.59 1.47 -0.23 0.00 0.00 178.00 182.58 1l3n n LEU 67 N -4.95 6.84 -4.53 1.56 -0.00 -1.26 -4.92 117.00 109.74 1l3n n LEU 67 Ca -0.05 -3.64 -0.44 0.00 -0.00 0.00 0.00 56.01 51.88 1l3n n LEU 67 Cb 0.07 -1.37 -0.05 0.00 -0.00 0.00 0.00 43.42 42.08 1l3n n LEU 67 CO 0.34 1.56 1.89 -1.54 -0.00 0.00 0.00 177.39 179.64 1l3n n SER 68 N 3.49 2.52 0.00 1.45 3.41 -1.06 -4.80 113.62 118.63 1l3n n SER 68 Ca 0.61 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 1l3n n SER 68 Cb 0.34 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 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 8.59 0.00 -3.90 4.33 1.74 -1.26 -5.12 116.66 121.04 1l3n n ARG 69 Ca 0.37 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.35 1l3n n ARG 69 Cb 0.37 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.71 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 0.11 0.47 0.00 5.56 1.02 0.28 -5.05 119.74 122.14 1l3n s LYS 70 Ca 0.00 -0.51 -0.32 0.00 0.02 0.00 0.00 55.97 55.16 1l3n s LYS 70 Cb 0.00 0.19 -0.10 0.00 -0.52 0.00 0.00 37.83 37.40 1l3n s LYS 70 CO 0.00 -0.11 1.91 1.58 -0.92 0.00 0.00 175.35 177.81 1l3n n HIS 71 N 1.35 2.45 -0.34 3.18 -0.00 -0.29 -2.46 115.22 119.10 1l3n n HIS 71 Ca -0.22 -0.19 0.00 0.00 -0.00 0.00 0.00 57.72 57.31 1l3n n HIS 71 Cb 0.56 -2.73 0.00 0.00 -0.00 0.00 0.00 29.99 27.82 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 4.42 5.39 0.00 1.57 0.00 -1.26 -2.35 105.19 112.96 1l3n n GLY 72 Ca 0.21 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 1.41 0.77 -0.02 0.00 -1.25 -4.54 105.19 101.56 1l3n n GLY 73 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.47 0.00 1.61 -0.04 -1.26 -0.83 135.00 134.95 1l3n n PRO 74 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1l3n n PRO 74 Cb 0.00 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 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 0.54 4.33 -4.04 0.54 5.02 -1.26 -5.05 118.16 118.25 1l3n n LYS 75 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 1l3n n LYS 75 Cb 0.18 -0.55 -0.16 0.00 -0.02 0.00 0.00 35.03 34.48 1l3n n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1l3n s ASP 76 N -1.03 0.76 0.43 4.39 1.01 -0.01 -5.02 116.67 117.20 1l3n s ASP 76 Ca 0.00 -0.08 0.24 0.00 0.71 0.00 0.00 52.55 53.42 1l3n s ASP 76 Cb 0.00 -0.35 0.66 0.00 1.01 0.00 0.00 42.92 44.24 1l3n s ASP 76 CO 0.00 -0.08 1.71 -0.08 0.21 0.00 0.00 175.17 176.93 1l3n h GLU 77 N 7.28 0.00 -0.06 8.23 4.81 -1.97 -2.48 114.58 130.39 1l3n h GLU 77 Ca -0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1l3n h GLU 77 Cb 1.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1l3n h GLU 77 CO 0.46 0.17 0.00 -0.85 -0.73 0.00 0.00 179.01 178.06 1l3n n GLU 78 N -3.21 1.25 -1.01 1.92 0.00 -1.26 -4.92 120.64 113.40 1l3n n GLU 78 Ca 0.02 -0.37 -0.36 0.00 0.00 0.00 0.00 57.16 56.45 1l3n n GLU 78 Cb 0.50 -1.29 0.05 0.00 0.00 0.00 0.00 31.44 30.69 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 -0.39 -0.03 0.00 3.44 -4.01 -0.93 -0.55 116.66 114.19 1l3n n ARG 79 Ca 0.13 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.94 1l3n n ARG 79 Cb 0.15 -1.16 0.00 0.00 -3.04 0.00 0.00 32.46 28.40 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 -2.53 0.00 0.00 2.89 8.25 -1.03 -4.53 115.22 118.27 1l3n n HIS 80 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1l3n n HIS 80 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 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 0.00 0.00 -1.36 1.59 0.31 -1.26 -4.91 118.33 112.70 1l3n n VAL 81 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 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 3.33 4.16 3.35 2.92 0.00 -1.26 -4.77 105.19 112.92 1l3n n GLY 82 Ca 0.00 -1.46 -0.46 0.00 0.00 0.00 0.00 46.02 44.10 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 2.58 6.47 0.00 1.61 1.01 -1.26 -1.40 116.67 125.68 1l3n s ASP 83 Ca 0.62 -2.08 0.19 0.00 0.71 0.00 0.00 52.55 51.99 1l3n s ASP 83 Cb 0.16 -2.26 0.89 0.00 1.01 0.00 0.00 42.92 42.73 1l3n s ASP 83 CO -0.06 -0.84 1.59 0.18 0.21 0.00 0.00 175.17 176.25 1l3n n LEU 84 N 5.21 0.00 0.00 1.23 7.99 -1.17 -4.03 117.00 126.23 1l3n n LEU 84 Ca 0.03 0.37 0.00 0.00 -0.01 0.00 0.00 56.01 56.40 1l3n n LEU 84 Cb 0.44 -0.37 0.00 0.00 -0.11 0.00 0.00 43.42 43.38 1l3n n LEU 84 CO 0.47 -0.14 0.00 0.61 -1.51 0.00 0.00 177.39 176.82 1l3n n GLY 85 N 0.37 1.16 3.20 -0.72 0.00 -1.26 -4.57 105.19 103.36 1l3n n GLY 85 Ca 0.07 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 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 0.14 -0.13 1.61 -0.87 -1.26 -4.31 114.94 106.13 1l3n s ASN 86 Ca 0.00 -0.66 0.02 0.00 -1.57 0.00 0.00 52.86 50.64 1l3n s ASN 86 Cb 0.00 0.33 -0.00 0.00 -0.02 0.00 0.00 41.25 41.55 1l3n s ASN 86 CO 0.00 -0.71 -0.18 0.68 -2.57 0.00 0.00 177.10 174.32 1l3n s VAL 87 N -3.80 2.50 -0.37 1.60 -7.23 0.05 -4.84 120.40 108.30 1l3n s VAL 87 Ca 0.05 -0.85 -0.29 0.00 -1.81 0.00 0.00 61.98 59.08 1l3n s VAL 87 Cb 0.05 -2.02 0.02 0.00 0.56 0.00 0.00 36.38 34.99 1l3n s VAL 87 CO -0.11 0.54 1.12 -0.89 -0.31 0.00 0.00 175.10 175.44 1l3n s THR 88 N 0.54 4.37 -0.15 5.32 2.01 -1.26 -0.28 115.64 126.19 1l3n s THR 88 Ca -0.11 1.53 -0.07 0.00 0.31 0.00 0.00 61.69 63.34 1l3n s THR 88 Cb -0.16 -4.46 -0.04 0.00 0.01 0.00 0.00 72.50 67.84 1l3n s THR 88 CO 0.04 -0.67 0.08 0.00 -0.69 0.00 0.00 174.62 173.39 1l3n s ALA 89 N 4.00 3.55 1.19 7.40 0.00 0.55 -3.91 121.76 134.53 1l3n s ALA 89 Ca 0.47 -0.72 -0.13 0.00 0.00 0.00 0.00 51.96 51.58 1l3n s ALA 89 Cb -0.11 -1.90 0.30 0.00 0.00 0.00 0.00 23.12 21.41 1l3n s ALA 89 CO 0.22 0.36 1.02 0.34 0.00 0.00 0.00 175.76 177.69 1l3n s ASP 90 N -0.20 0.79 0.53 0.00 -1.08 0.11 -1.63 116.67 115.19 1l3n s ASP 90 Ca 0.09 1.47 0.27 0.00 -0.52 0.00 0.00 52.55 53.85 1l3n s ASP 90 Cb -0.12 -2.27 1.41 0.00 -1.46 0.00 0.00 42.92 40.48 1l3n s ASP 90 CO 0.01 -4.31 1.97 0.07 0.52 0.00 0.00 175.17 173.43 1l3n h LYS 91 N -2.70 0.00 0.00 4.34 -0.00 -1.91 0.13 116.57 116.43 1l3n h LYS 91 Ca -0.63 -0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.02 1l3n h LYS 91 Cb 1.34 -0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.57 1l3n h LYS 91 CO 0.51 0.00 0.00 -0.25 -0.00 0.00 0.00 179.45 179.71 1l3n n ASP 92 N -4.36 0.00 0.00 7.07 9.92 -1.26 -4.50 116.55 123.43 1l3n n ASP 92 Ca 0.12 -0.52 0.00 0.00 -0.53 0.00 0.00 54.79 53.86 1l3n n ASP 92 Cb 0.68 -0.15 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 1l3n n ASP 92 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1l3n n GLY 93 N 1.05 0.85 3.57 0.44 0.00 0.46 -3.19 105.19 108.36 1l3n n GLY 93 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.36 3.87 -0.29 1.61 1.01 -1.25 -3.69 120.40 118.29 1l3n s VAL 94 Ca 0.00 0.68 -0.11 0.00 0.00 0.00 0.00 61.98 62.55 1l3n s VAL 94 Cb 0.00 -4.76 -0.04 0.00 0.00 0.00 0.00 36.38 31.58 1l3n s VAL 94 CO 0.00 -1.52 0.19 0.00 0.00 0.00 0.00 175.10 173.76 1l3n s ALA 95 N 5.44 3.47 -0.48 5.51 0.00 -1.24 -0.71 121.76 133.75 1l3n s ALA 95 Ca 0.41 -1.18 -0.29 0.00 0.00 0.00 0.00 51.96 50.90 1l3n s ALA 95 Cb -0.08 -2.47 0.03 0.00 0.00 0.00 0.00 23.12 20.60 1l3n s ALA 95 CO 0.21 -0.66 1.13 0.16 0.00 0.00 0.00 175.76 176.60 1l3n s ASP 96 N 1.73 6.63 -0.15 0.00 -4.77 -1.25 -2.46 116.67 116.38 1l3n s ASP 96 Ca 0.07 0.45 -0.11 0.00 -3.30 0.00 0.00 52.55 49.65 1l3n s ASP 96 Cb -0.16 -2.55 -0.05 0.00 -1.09 0.00 0.00 42.92 39.07 1l3n s ASP 96 CO 0.10 -1.25 0.23 -0.69 0.70 0.00 0.00 175.17 174.25 1l3n s VAL 97 N 4.44 5.35 -0.50 2.11 1.01 0.17 -4.79 120.40 128.18 1l3n s VAL 97 Ca 0.48 0.40 0.07 0.00 0.00 0.00 0.00 61.98 62.92 1l3n s VAL 97 Cb -0.07 -3.55 0.20 0.00 0.00 0.00 0.00 36.38 32.97 1l3n s VAL 97 CO 0.32 0.47 0.75 -1.20 0.00 0.00 0.00 175.10 175.44 1l3n n SER 98 N 3.09 -3.10 -4.93 3.32 7.64 -1.24 -0.69 113.62 117.70 1l3n n SER 98 Ca -0.15 -3.00 -0.21 0.00 1.01 0.00 0.00 58.87 56.52 1l3n n SER 98 Cb 0.53 1.63 -0.02 0.00 -1.01 0.00 0.00 64.21 65.33 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 0.74 4.79 -0.05 0.44 1.09 0.21 -4.95 121.20 123.47 1l3n s ILE 99 Ca 0.31 -1.11 -0.02 0.00 -1.10 0.00 0.00 60.65 58.73 1l3n s ILE 99 Cb 0.07 -3.65 0.03 0.00 -1.06 0.00 0.00 42.46 37.86 1l3n s ILE 99 CO -0.12 -0.30 0.11 -0.70 -0.10 0.00 0.00 174.94 173.84 1l3n s GLU 100 N -3.98 0.06 0.13 2.79 2.12 -1.26 -0.31 118.70 118.24 1l3n s GLU 100 Ca 0.36 0.30 -0.06 0.00 0.36 0.00 0.00 54.97 55.93 1l3n s GLU 100 Cb -0.09 -0.18 -0.02 0.00 0.26 0.00 0.00 34.13 34.11 1l3n s GLU 100 CO 0.28 -0.15 0.18 0.16 -0.54 0.00 0.00 175.26 175.19 1l3n s ASP 101 N 1.06 0.16 -0.42 -1.70 1.47 -0.03 -5.00 116.67 112.21 1l3n s ASP 101 Ca -0.08 -0.91 0.08 0.00 1.18 0.00 0.00 52.55 52.82 1l3n s ASP 101 Cb -0.11 0.36 0.42 0.00 -0.34 0.00 0.00 42.92 43.25 1l3n s ASP 101 CO -0.05 -0.79 1.04 -1.54 0.68 0.00 0.00 175.17 174.52 1l3n n SER 102 N -0.12 3.79 0.00 2.11 3.41 -1.26 0.03 113.62 121.58 1l3n n SER 102 Ca -0.09 -3.46 0.00 0.00 -0.26 0.00 0.00 58.87 55.06 1l3n n SER 102 Cb 0.63 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 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 -0.33 0.00 -1.94 -3.33 3.14 -1.26 -5.03 118.33 109.58 1l3n n VAL 103 Ca 0.31 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 61.28 1l3n n VAL 103 Cb 0.67 -0.26 -0.01 0.00 -1.06 0.00 0.00 33.84 33.18 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 -1.60 2.34 0.16 1.55 1.09 -1.26 -4.87 121.20 118.61 1l3n s ILE 104 Ca 0.00 0.34 0.07 0.00 -1.10 0.00 0.00 60.65 59.97 1l3n s ILE 104 Cb 0.00 -3.22 -0.04 0.00 -1.06 0.00 0.00 42.46 38.14 1l3n s ILE 104 CO 0.00 0.08 -0.16 -0.44 -0.10 0.00 0.00 174.94 174.32 1l3n s SER 105 N -0.26 2.44 0.09 3.58 0.01 -0.09 -4.58 113.70 114.91 1l3n s SER 105 Ca 0.52 -0.89 0.09 0.00 1.31 0.00 0.00 55.95 56.98 1l3n s SER 105 Cb -0.44 -0.12 -0.19 0.00 0.21 0.00 0.00 66.02 65.48 1l3n s SER 105 CO 0.58 -0.10 1.15 -0.07 0.41 0.00 0.00 173.24 175.20 1l3n h LEU 106 N 3.17 0.00 -7.98 2.44 -0.00 -1.88 -1.64 115.31 109.40 1l3n h LEU 106 Ca -0.40 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.49 1l3n h LEU 106 Cb 1.21 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.79 1l3n h LEU 106 CO 0.54 0.95 0.10 -0.44 -0.00 0.00 0.00 178.44 179.59 1l3n s SER 107 N -6.53 -0.22 0.00 -0.43 0.01 -1.26 -4.50 113.70 100.77 1l3n s SER 107 Ca -0.00 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 56.60 1l3n s SER 107 Cb 0.09 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.98 1l3n s SER 107 CO 0.82 -1.23 0.00 0.61 0.41 0.00 0.00 173.24 173.85 1l3n n GLY 108 N -0.42 1.67 1.72 3.44 0.00 -1.26 -4.52 105.19 105.83 1l3n n GLY 108 Ca -0.05 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 0.39 0.03 -1.50 1.61 -0.08 -1.26 -4.86 116.55 110.88 1l3n n ASP 109 Ca 0.00 0.07 -0.03 0.00 -1.51 0.00 0.00 54.79 53.32 1l3n n ASP 109 Cb 0.00 0.04 0.01 0.00 2.34 0.00 0.00 41.12 43.50 1l3n n ASP 109 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1l3n n HIS 110 N -2.78 0.27 -2.33 -0.67 8.25 -1.26 -4.86 115.22 111.84 1l3n n HIS 110 Ca 0.00 -1.08 -0.43 0.00 -0.26 0.00 0.00 57.72 55.95 1l3n n HIS 110 Cb 0.12 -0.54 -0.02 0.00 1.12 0.00 0.00 29.99 30.67 1l3n n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1l3n s SER 111 N 1.54 6.47 -0.00 0.41 0.15 -1.25 -0.91 113.70 120.11 1l3n s SER 111 Ca 0.05 1.13 0.02 0.00 0.70 0.00 0.00 55.95 57.85 1l3n s SER 111 Cb 0.04 -2.54 0.06 0.00 -1.71 0.00 0.00 66.02 61.88 1l3n s SER 111 CO 0.00 -1.26 0.99 2.30 1.20 0.00 0.00 173.24 176.47 1l3n n ILE 112 N 6.61 0.12 -1.82 6.45 -5.35 -0.62 -4.92 119.36 119.83 1l3n n ILE 112 Ca 0.16 -0.10 -0.41 0.00 -0.27 0.00 0.00 62.75 62.13 1l3n n ILE 112 Cb 0.47 -0.03 -0.01 0.00 -1.74 0.00 0.00 39.64 38.33 1l3n n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1l3n s ILE 113 N -1.80 2.12 0.00 7.28 -1.09 -1.26 -2.86 121.20 123.60 1l3n s ILE 113 Ca 0.05 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.58 1l3n s ILE 113 Cb 0.03 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.83 1l3n s ILE 113 CO 0.03 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.37 1l3n n GLY 114 N 1.32 0.49 3.93 6.18 0.00 -1.24 -5.03 105.19 110.84 1l3n n GLY 114 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.25 1.97 -0.12 1.61 1.81 -1.13 -2.67 118.95 120.16 1l3n s ARG 115 Ca 0.00 -0.22 -0.04 0.00 -1.72 0.00 0.00 55.73 53.74 1l3n s ARG 115 Cb 0.00 -2.09 -0.04 0.00 -0.45 0.00 0.00 34.95 32.37 1l3n s ARG 115 CO 0.00 -1.45 0.03 0.99 -0.68 0.00 0.00 175.30 174.19 1l3n s THR 116 N -3.38 4.55 0.00 0.02 2.01 0.13 -1.49 115.64 117.48 1l3n s THR 116 Ca 0.62 -0.14 -0.09 0.00 0.31 0.00 0.00 61.69 62.39 1l3n s THR 116 Cb -0.10 -2.97 -0.05 0.00 0.01 0.00 0.00 72.50 69.39 1l3n s THR 116 CO 0.46 0.56 0.31 -0.76 -0.69 0.00 0.00 174.62 174.50 1l3n s LEU 117 N -0.47 4.39 -0.02 4.42 2.01 -1.01 -0.68 118.68 127.33 1l3n s LEU 117 Ca 0.09 0.68 0.03 0.00 0.01 0.00 0.00 54.13 54.94 1l3n s LEU 117 Cb -0.12 -2.63 -0.00 0.00 0.01 0.00 0.00 46.19 43.45 1l3n s LEU 117 CO 0.02 0.27 -0.10 -0.69 1.01 0.00 0.00 176.35 176.87 1l3n s VAL 118 N -1.24 0.81 -0.04 -1.59 1.01 0.48 -0.85 120.40 118.98 1l3n s VAL 118 Ca 0.26 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1l3n s VAL 118 Cb -0.14 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 1l3n s VAL 118 CO 0.14 0.24 -0.02 0.54 0.00 0.00 0.00 175.10 176.00 1l3n s VAL 119 N -0.00 4.04 0.42 2.92 0.11 -0.26 -1.43 120.40 126.20 1l3n s VAL 119 Ca 0.00 -0.48 0.06 0.00 -2.93 0.00 0.00 61.98 58.63 1l3n s VAL 119 Cb -0.07 -2.73 -0.07 0.00 -1.53 0.00 0.00 36.38 31.98 1l3n s VAL 119 CO 0.00 0.50 0.01 -1.00 -3.33 0.00 0.00 175.10 171.28 1l3n s HIS 120 N -0.95 2.43 -0.02 1.54 3.76 0.51 -2.30 115.29 120.26 1l3n s HIS 120 Ca 0.16 -0.71 -0.23 0.00 -0.15 0.00 0.00 55.06 54.13 1l3n s HIS 120 Cb -0.11 -1.76 -0.21 0.00 1.11 0.00 0.00 32.58 31.60 1l3n s HIS 120 CO 0.05 0.42 1.12 1.49 -0.85 0.00 0.00 174.74 176.97 1l3n h GLU 121 N 1.71 0.25 -6.05 1.40 4.22 -1.84 -3.35 114.58 110.92 1l3n h GLU 121 Ca -0.44 -0.22 -0.53 0.00 0.08 0.00 0.00 59.36 58.25 1l3n h GLU 121 Cb 1.25 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.50 1l3n h GLU 121 CO 0.80 0.90 -0.42 0.15 -2.18 0.00 0.00 179.01 178.26 1l3n s LYS 122 N -3.43 2.39 0.38 1.92 1.02 0.15 -4.77 119.74 117.39 1l3n s LYS 122 Ca -0.15 -1.70 -0.24 0.00 0.02 0.00 0.00 55.97 53.90 1l3n s LYS 122 Cb 0.02 -2.20 -0.09 0.00 -0.52 0.00 0.00 37.83 35.04 1l3n s LYS 122 CO 0.75 -0.20 1.02 0.00 -0.92 0.00 0.00 175.35 176.01 1l3n s ALA 123 N -2.55 3.12 0.73 5.17 0.00 -0.96 -0.18 121.76 127.09 1l3n s ALA 123 Ca 0.44 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 52.94 1l3n s ALA 123 Cb -0.00 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.90 1l3n s ALA 123 CO 0.25 -0.11 1.10 -0.51 0.00 0.00 0.00 175.76 176.49 1l3n s ASP 124 N -1.59 5.19 0.40 0.00 1.11 -1.26 -4.29 116.67 116.23 1l3n s ASP 124 Ca 0.56 1.19 0.22 0.00 0.18 0.00 0.00 52.55 54.70 1l3n s ASP 124 Cb -0.21 -1.97 0.45 0.00 1.07 0.00 0.00 42.92 42.26 1l3n s ASP 124 CO 0.26 -1.51 1.63 0.44 1.18 0.00 0.00 175.17 177.17 1l3n h ASP 125 N -0.77 0.00 -6.41 0.27 3.32 -0.90 -3.48 116.42 108.45 1l3n h ASP 125 Ca -0.45 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.11 1l3n h ASP 125 Cb 1.26 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.75 1l3n h ASP 125 CO 0.62 0.21 -0.84 0.18 -1.72 0.00 0.00 179.24 177.69 1l3n n LEU 126 N -3.19 -2.40 0.00 1.55 4.77 -1.26 -1.25 117.00 115.22 1l3n n LEU 126 Ca 0.02 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 1l3n n LEU 126 Cb 0.56 -2.36 0.00 0.00 -2.33 0.00 0.00 43.42 39.29 1l3n n LEU 126 CO 0.35 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 1l3n n GLY 127 N -1.74 2.57 1.40 -0.72 0.00 -0.99 -4.42 105.19 101.27 1l3n n GLY 127 Ca -0.18 -0.12 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 0.98 0.00 1.61 5.02 -0.38 -2.80 118.16 122.59 1l3n n LYS 128 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1l3n n LYS 128 Cb 0.00 -1.01 -0.11 0.00 -0.02 0.00 0.00 35.03 33.89 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 1.29 -1.04 4.05 0.72 0.00 -1.26 -4.97 105.19 103.98 1l3n n GLY 129 Ca 0.00 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 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 1.39 -0.40 3.23 -0.02 0.00 -1.12 -4.88 105.19 103.39 1l3n n GLY 130 Ca 0.01 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.62 0.18 0.19 1.61 2.20 -1.26 -4.99 114.94 109.25 1l3n s ASN 131 Ca 0.50 -1.19 -0.17 0.00 -0.94 0.00 0.00 52.86 51.07 1l3n s ASN 131 Cb -0.27 0.37 0.18 0.00 -2.00 0.00 0.00 41.25 39.53 1l3n s ASN 131 CO 0.89 -0.83 1.36 1.21 -2.94 0.00 0.00 177.10 176.79 1l3n n GLU 132 N -0.19 -0.23 -0.04 3.55 0.00 -1.26 -0.49 120.64 121.99 1l3n n GLU 132 Ca -0.03 1.34 -0.15 0.00 0.00 0.00 0.00 57.16 58.33 1l3n n GLU 132 Cb 0.64 -1.99 -0.03 0.00 0.00 0.00 0.00 31.44 30.06 1l3n n GLU 132 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1l3n h GLU 133 N 0.00 0.78 -0.64 5.31 4.57 -1.98 -3.18 114.58 119.43 1l3n h GLU 133 Ca 0.29 -0.55 0.11 0.00 -1.18 0.00 0.00 59.36 58.02 1l3n h GLU 133 Cb 0.50 0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 29.10 1l3n h GLU 133 CO -0.86 1.17 0.23 0.66 -1.18 0.00 0.00 179.01 179.03 1l3n h SER 134 N 0.57 0.21 0.24 1.04 4.64 -1.09 0.16 113.55 119.32 1l3n h SER 134 Ca -0.01 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1l3n h SER 134 Cb 1.25 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1l3n h SER 134 CO 0.13 0.11 0.00 1.07 -0.87 0.00 0.00 176.83 177.28 1l3n n THR 135 N -5.01 0.01 0.00 2.95 5.66 -0.58 -2.28 114.28 115.02 1l3n n THR 135 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1l3n n THR 135 Cb 0.31 -0.51 0.00 0.00 -1.55 0.00 0.00 70.33 68.58 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 -1.12 0.00 -0.04 1.09 5.02 0.07 -1.14 118.16 122.04 1l3n n LYS 136 Ca 0.20 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.52 1l3n n LYS 136 Cb 0.16 -0.17 0.06 0.00 -0.02 0.00 0.00 35.03 35.06 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 -2.36 1.29 -1.36 -0.18 -2.24 0.32 -4.37 114.28 105.39 1l3n n THR 137 Ca 0.00 -1.44 -0.09 0.00 -2.27 0.00 0.00 64.05 60.25 1l3n n THR 137 Cb 0.00 0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 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 -0.84 0.96 2.15 3.38 0.00 -0.23 -2.57 105.19 108.03 1l3n n GLY 138 Ca 0.06 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 1l3n n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1l3n n ASN 139 N 0.52 -3.31 0.00 1.61 3.02 -1.25 -0.20 115.26 115.66 1l3n n ASN 139 Ca -0.09 0.25 0.08 0.00 -0.03 0.00 0.00 54.58 54.79 1l3n n ASN 139 Cb 0.33 -2.99 0.39 0.00 -0.61 0.00 0.00 39.78 36.90 1l3n n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1l3n n ALA 140 N -0.93 1.85 0.00 5.41 0.00 -1.06 -4.83 120.51 120.94 1l3n n ALA 140 Ca -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1l3n n ALA 140 Cb 0.48 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 0.17 2.85 2.23 0.00 0.00 -1.26 0.31 105.19 109.48 1l3n n GLY 141 Ca 0.06 -1.95 -0.27 0.00 0.00 0.00 0.00 46.02 43.86 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 0.00 7.02 -3.63 1.61 7.64 -1.26 -4.75 113.62 120.24 1l3n n SER 142 Ca 0.00 -2.67 -0.26 0.00 1.01 0.00 0.00 58.87 56.95 1l3n n SER 142 Cb 0.00 -1.44 0.01 0.00 -1.01 0.00 0.00 64.21 61.77 1l3n n SER 142 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1l3n n ARG 143 N 2.63 -1.65 -0.10 1.43 3.00 -1.26 -4.86 116.66 115.85 1l3n n ARG 143 Ca 0.59 1.03 -0.02 0.00 -0.01 0.00 0.00 57.85 59.44 1l3n n ARG 143 Cb 0.54 -2.63 0.21 0.00 0.00 0.00 0.00 32.46 30.59 1l3n n ARG 143 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1l3n h LEU 144 N 0.46 0.71 -7.14 0.55 -0.00 -1.75 -3.45 115.31 104.68 1l3n h LEU 144 Ca -0.55 -0.13 -0.07 0.00 -0.00 0.00 0.00 57.88 57.13 1l3n h LEU 144 Cb 1.36 -0.18 -0.23 0.00 -0.00 0.00 0.00 40.66 41.61 1l3n h LEU 144 CO 0.32 0.72 -0.05 0.00 -0.00 0.00 0.00 178.44 179.43 1l3n s ALA 145 N -5.14 -1.44 0.04 1.53 0.00 -1.03 -3.66 121.76 112.05 1l3n s ALA 145 Ca -0.09 1.70 0.03 0.00 0.00 0.00 0.00 51.96 53.60 1l3n s ALA 145 Cb 0.15 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 1l3n s ALA 145 CO 0.79 -0.28 -0.10 0.00 0.00 0.00 0.00 175.76 176.17 1l3n s GLY 147 N -1.26 1.63 -0.04 0.00 0.00 -0.03 -1.10 107.32 106.51 1l3n s GLY 147 Ca -0.04 -1.81 0.06 0.00 0.00 0.00 0.00 44.72 42.93 1l3n s GLY 147 CO 0.01 -1.59 -0.23 0.14 0.00 0.00 0.00 173.10 171.43 1l3n s VAL 148 N -3.70 2.30 -0.02 1.40 1.01 -1.26 -2.40 120.40 117.73 1l3n s VAL 148 Ca 0.34 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 1l3n s VAL 148 Cb 0.07 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1l3n s VAL 148 CO 0.11 0.58 1.25 -0.63 0.00 0.00 0.00 175.10 176.41 1l3n s ILE 149 N -0.43 4.07 0.04 2.22 1.01 -0.55 -4.28 121.20 123.28 1l3n s ILE 149 Ca 0.04 1.43 0.06 0.00 0.00 0.00 0.00 60.65 62.19 1l3n s ILE 149 Cb -0.12 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 1l3n s ILE 149 CO 0.01 0.02 -0.15 -0.83 0.00 0.00 0.00 174.94 174.00 1l3n s GLY 150 N 1.49 1.64 0.62 6.18 0.00 -0.03 -3.64 107.32 113.58 1l3n s GLY 150 Ca 0.58 -1.17 -0.17 0.00 0.00 0.00 0.00 44.72 43.97 1l3n s GLY 150 CO 0.24 -1.06 1.14 -0.42 0.00 0.00 0.00 173.10 173.00 1l3n s ILE 151 N -0.98 3.05 0.12 0.90 1.01 -1.26 -0.10 121.20 123.93 1l3n s ILE 151 Ca 0.16 0.56 0.00 0.00 0.00 0.00 0.00 60.65 61.37 1l3n s ILE 151 Cb -0.11 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1l3n s ILE 151 CO 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 174.94 174.77 1l3n s ALA 152 N -2.04 0.95 0.00 9.38 0.00 0.38 -4.67 121.76 125.76 1l3n s ALA 152 Ca 0.71 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1l3n s ALA 152 Cb -0.24 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.39 1l3n s ALA 152 CO 0.36 -0.36 0.28 0.94 0.00 0.00 0.00 175.76 176.98