#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 -5.18 0.00 5.66 -1.26 -4.77 114.28 108.73 1l3n n THR 2 Ca 0.00 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.68 1l3n n THR 2 Cb 0.00 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.63 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 -1.38 2.35 0.06 1.09 1.02 -1.26 -0.08 119.74 121.54 1l3n s LYS 3 Ca 0.00 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 55.14 1l3n s LYS 3 Cb 0.00 -2.17 -0.03 0.00 -0.52 0.00 0.00 37.83 35.11 1l3n s LYS 3 CO 0.00 0.52 -0.06 0.00 -0.92 0.00 0.00 175.35 174.89 1l3n s ALA 4 N -0.50 0.64 0.10 5.17 0.00 -0.54 -0.62 121.76 126.02 1l3n s ALA 4 Ca 0.06 -1.04 0.10 0.00 0.00 0.00 0.00 51.96 51.08 1l3n s ALA 4 Cb -0.11 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1l3n s ALA 4 CO 0.01 -0.19 -0.25 0.08 0.00 0.00 0.00 175.76 175.41 1l3n s VAL 5 N -2.73 2.04 -0.29 0.00 1.01 0.63 -0.36 120.40 120.71 1l3n s VAL 5 Ca 0.01 -1.60 -0.03 0.00 0.00 0.00 0.00 61.98 60.35 1l3n s VAL 5 Cb -0.01 -1.81 0.10 0.00 0.00 0.00 0.00 36.38 34.66 1l3n s VAL 5 CO -0.04 0.09 0.11 0.00 0.00 0.00 0.00 175.10 175.27 1l3n s ALA 6 N -1.03 0.91 -0.71 5.51 0.00 -0.01 -0.73 121.76 125.70 1l3n s ALA 6 Ca 0.11 -1.22 -0.27 0.00 0.00 0.00 0.00 51.96 50.58 1l3n s ALA 6 Cb -0.10 -1.44 0.03 0.00 0.00 0.00 0.00 23.12 21.61 1l3n s ALA 6 CO 0.05 -1.61 1.29 0.14 0.00 0.00 0.00 175.76 175.63 1l3n s VAL 7 N 1.94 3.75 0.27 0.00 -7.23 -1.26 -1.46 120.40 116.42 1l3n s VAL 7 Ca 0.09 0.48 -0.26 0.00 -1.81 0.00 0.00 61.98 60.47 1l3n s VAL 7 Cb -0.16 -4.84 -0.09 0.00 0.56 0.00 0.00 36.38 31.84 1l3n s VAL 7 CO -0.31 -1.73 0.90 -0.76 -0.31 0.00 0.00 175.10 172.88 1l3n s LEU 8 N 5.77 4.45 0.15 1.32 1.43 0.98 -4.27 118.68 128.50 1l3n s LEU 8 Ca 0.38 1.79 -0.21 0.00 -1.03 0.00 0.00 54.13 55.06 1l3n s LEU 8 Cb -0.08 -3.78 0.06 0.00 0.03 0.00 0.00 46.19 42.42 1l3n s LEU 8 CO 0.17 0.04 0.55 -0.54 0.23 0.00 0.00 176.35 176.79 1l3n s LYS 9 N -1.72 1.23 0.34 1.70 1.02 0.04 -0.33 119.74 122.04 1l3n s LYS 9 Ca 0.45 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.89 1l3n s LYS 9 Cb -0.21 0.56 0.00 0.00 -0.52 0.00 0.00 37.83 37.66 1l3n s LYS 9 CO 0.26 -0.53 0.00 0.41 -0.92 0.00 0.00 175.35 174.57 1l3n n GLY 10 N -0.34 -1.73 0.12 -3.33 0.00 -1.26 -0.62 105.19 98.03 1l3n n GLY 10 Ca -0.16 0.43 -0.16 0.00 0.00 0.00 0.00 46.02 46.13 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 0.39 0.00 1.61 5.19 -1.81 -3.49 116.42 118.30 1l3n h ASP 11 Ca 0.00 -0.71 0.00 0.00 -0.62 0.00 0.00 57.03 55.70 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 1.05 0.00 0.61 -3.12 0.00 0.00 179.24 177.78 1l3n n GLY 12 N 0.90 2.63 0.30 2.75 0.00 -1.26 -4.91 105.19 105.60 1l3n n GLY 12 Ca -0.09 -0.58 0.06 0.00 0.00 0.00 0.00 46.02 45.42 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 0.60 -6.34 1.61 0.13 -1.93 -3.37 132.00 122.70 1l3n h PRO 13 Ca 0.00 -0.04 -0.57 0.00 -0.87 0.00 0.00 66.00 64.53 1l3n h PRO 13 Cb 0.00 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 30.96 1l3n h PRO 13 CO 0.00 0.40 1.08 0.14 -0.23 0.00 0.00 178.00 179.39 1l3n s VAL 14 N -5.98 3.84 -0.17 1.56 -7.23 -1.26 -3.94 120.40 107.22 1l3n s VAL 14 Ca -0.12 0.93 0.01 0.00 -1.81 0.00 0.00 61.98 60.99 1l3n s VAL 14 Cb 0.21 -3.91 0.02 0.00 0.56 0.00 0.00 36.38 33.26 1l3n s VAL 14 CO 0.78 -0.43 -0.19 -1.10 -0.31 0.00 0.00 175.10 173.85 1l3n s GLN 15 N 4.65 3.02 -0.09 4.82 -0.21 0.36 -4.03 119.66 128.19 1l3n s GLN 15 Ca 0.66 -0.82 -0.05 0.00 0.02 0.00 0.00 55.36 55.17 1l3n s GLN 15 Cb -0.21 -2.57 -0.04 0.00 1.00 0.00 0.00 33.01 31.19 1l3n s GLN 15 CO 0.28 -0.17 0.13 0.20 -2.12 0.00 0.00 175.29 173.61 1l3n s GLY 16 N 1.21 2.11 -0.42 3.09 0.00 0.55 -0.62 107.32 113.25 1l3n s GLY 16 Ca 0.03 -0.70 0.09 0.00 0.00 0.00 0.00 44.72 44.13 1l3n s GLY 16 CO -0.10 -0.48 0.61 1.39 0.00 0.00 0.00 173.10 174.52 1l3n n ILE 17 N 1.76 -0.11 -2.58 0.90 5.41 -1.25 -0.02 119.36 123.47 1l3n n ILE 17 Ca -0.18 -4.33 -0.41 0.00 1.00 0.00 0.00 62.75 58.83 1l3n n ILE 17 Cb 0.54 -1.55 -0.04 0.00 -0.71 0.00 0.00 39.64 37.88 1l3n n ILE 17 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1l3n s ILE 18 N -1.74 4.19 -0.36 1.39 -1.09 -0.53 -3.62 121.20 119.44 1l3n s ILE 18 Ca 0.37 1.77 0.04 0.00 -2.23 0.00 0.00 60.65 60.60 1l3n s ILE 18 Cb 0.21 -4.13 0.10 0.00 -1.58 0.00 0.00 42.46 37.07 1l3n s ILE 18 CO -0.09 0.25 0.08 0.20 -1.23 0.00 0.00 174.94 174.15 1l3n s ASN 19 N 0.24 4.63 -0.04 3.58 0.01 0.36 -0.83 114.94 122.90 1l3n s ASN 19 Ca 0.51 -2.23 -0.29 0.00 -0.71 0.00 0.00 52.86 50.14 1l3n s ASN 19 Cb -0.27 -1.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.81 1l3n s ASN 19 CO 0.32 -0.36 0.93 -0.36 -1.51 0.00 0.00 177.10 176.12 1l3n s PHE 20 N 0.81 3.61 -0.18 2.20 0.40 0.52 -2.84 117.98 122.49 1l3n s PHE 20 Ca 0.12 1.59 -0.00 0.00 -0.60 0.00 0.00 56.93 58.03 1l3n s PHE 20 Cb -0.20 -3.08 0.00 0.00 0.51 0.00 0.00 43.02 40.26 1l3n s PHE 20 CO -0.08 -0.05 -0.15 -1.21 0.70 0.00 0.00 175.22 174.43 1l3n s GLU 21 N 1.23 3.16 -0.31 0.44 0.41 0.05 -1.47 118.70 122.21 1l3n s GLU 21 Ca 0.48 -0.75 0.03 0.00 -0.41 0.00 0.00 54.97 54.32 1l3n s GLU 21 Cb -0.20 -2.69 0.09 0.00 -1.78 0.00 0.00 34.13 29.55 1l3n s GLU 21 CO 0.24 -0.12 0.01 -1.14 -0.49 0.00 0.00 175.26 173.76 1l3n s GLN 22 N 1.14 1.54 0.04 1.61 0.74 0.88 -0.69 119.66 124.93 1l3n s GLN 22 Ca 0.01 -1.56 -0.31 0.00 0.05 0.00 0.00 55.36 53.54 1l3n s GLN 22 Cb -0.14 -2.91 -0.17 0.00 1.10 0.00 0.00 33.01 30.88 1l3n s GLN 22 CO -0.06 -0.83 1.38 0.87 -0.55 0.00 0.00 175.29 176.10 1l3n h LYS 23 N 7.75 -1.09 -5.08 1.67 1.79 -1.83 -3.41 116.57 116.38 1l3n h LYS 23 Ca -0.10 0.07 -0.57 0.00 -2.18 0.00 0.00 60.65 57.87 1l3n h LYS 23 Cb 1.03 0.25 -0.13 0.00 -1.58 0.00 0.00 32.23 31.79 1l3n h LYS 23 CO 0.49 -0.73 -0.52 -2.00 -1.08 0.00 0.00 179.45 175.61 1l3n s GLU 24 N -5.33 1.95 0.37 3.15 -6.30 -1.26 -4.97 118.70 106.30 1l3n s GLU 24 Ca -0.16 -2.19 0.27 0.00 -2.50 0.00 0.00 54.97 50.38 1l3n s GLU 24 Cb 0.02 -0.76 0.95 0.00 0.00 0.00 0.00 34.13 34.34 1l3n s GLU 24 CO 0.49 -0.44 1.79 0.66 0.02 0.00 0.00 175.26 177.78 1l3n h SER 25 N 1.75 0.00 1.69 -1.70 4.64 -1.88 0.46 113.55 118.51 1l3n h SER 25 Ca -0.37 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.90 1l3n h SER 25 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 1l3n h SER 25 CO 0.60 0.00 -0.23 0.78 -0.87 0.00 0.00 176.83 177.11 1l3n h ASN 26 N 0.00 0.00 -2.82 4.97 2.35 -1.96 -3.45 115.58 114.67 1l3n h ASN 26 Ca 0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 1l3n h ASN 26 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1l3n h ASN 26 CO 0.00 0.23 0.90 -0.83 -1.65 0.00 0.00 177.43 176.08 1l3n s GLY 27 N -4.32 1.74 0.41 2.83 0.00 0.15 -4.99 107.32 103.14 1l3n s GLY 27 Ca 0.05 0.98 -0.26 0.00 0.00 0.00 0.00 44.72 45.49 1l3n s GLY 27 CO 0.70 2.66 1.39 2.56 0.00 0.00 0.00 173.10 180.41 1l3n s PRO 28 N 2.59 3.92 -0.30 2.90 0.04 -1.26 -4.66 135.00 138.23 1l3n s PRO 28 Ca 0.67 2.34 -0.29 0.00 0.04 0.00 0.00 61.00 63.77 1l3n s PRO 28 Cb -0.34 -2.79 0.01 0.00 0.04 0.00 0.00 34.50 31.42 1l3n s PRO 28 CO 0.28 -0.59 1.09 0.08 0.04 0.00 0.00 177.00 177.90 1l3n s VAL 29 N -1.20 4.50 -0.48 -0.36 1.01 0.28 -4.75 120.40 119.40 1l3n s VAL 29 Ca 0.57 1.74 -0.23 0.00 0.00 0.00 0.00 61.98 64.06 1l3n s VAL 29 Cb -0.42 -4.37 0.03 0.00 0.00 0.00 0.00 36.38 31.62 1l3n s VAL 29 CO 0.55 -0.43 0.79 -0.54 0.00 0.00 0.00 175.10 175.47 1l3n s LYS 30 N 3.62 3.34 -0.79 2.72 1.02 0.14 -0.57 119.74 129.21 1l3n s LYS 30 Ca 0.46 -0.26 -0.13 0.00 0.02 0.00 0.00 55.97 56.06 1l3n s LYS 30 Cb -0.13 -3.99 0.21 0.00 -0.52 0.00 0.00 37.83 33.40 1l3n s LYS 30 CO 0.15 -1.21 0.72 0.14 -0.92 0.00 0.00 175.35 174.22 1l3n s VAL 31 N 3.33 5.40 0.38 3.17 -7.23 0.12 -0.77 120.40 124.79 1l3n s VAL 31 Ca 0.28 -2.48 0.07 0.00 -1.81 0.00 0.00 61.98 58.04 1l3n s VAL 31 Cb -0.13 -4.35 -0.01 0.00 0.56 0.00 0.00 36.38 32.45 1l3n s VAL 31 CO 0.20 -1.01 0.48 -1.66 -0.31 0.00 0.00 175.10 172.80 1l3n s TRP 32 N 0.20 2.93 0.00 2.82 -2.14 -1.13 -1.43 118.94 120.19 1l3n s TRP 32 Ca 0.17 -0.33 0.00 0.00 2.66 0.00 0.00 56.10 58.61 1l3n s TRP 32 Cb -0.12 -2.13 0.00 0.00 -3.10 0.00 0.00 33.47 28.12 1l3n s TRP 32 CO -0.08 -0.15 0.00 0.41 -2.66 0.00 0.00 176.95 174.47 1l3n n GLY 33 N -1.68 0.64 2.84 3.67 0.00 0.32 -0.48 105.19 110.50 1l3n n GLY 33 Ca 0.03 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 1l3n n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1l3n s SER 34 N 0.00 4.10 1.00 1.61 0.01 -1.24 -0.48 113.70 118.70 1l3n s SER 34 Ca 0.00 -1.63 -0.16 0.00 1.31 0.00 0.00 55.95 55.47 1l3n s SER 34 Cb 0.00 -1.08 0.20 0.00 0.21 0.00 0.00 66.02 65.35 1l3n s SER 34 CO 0.00 -0.37 1.24 0.27 0.41 0.00 0.00 173.24 174.79 1l3n s ILE 35 N 1.43 1.91 -0.04 1.44 -4.36 -0.97 -3.96 121.20 116.64 1l3n s ILE 35 Ca 0.07 0.00 -0.21 0.00 -0.26 0.00 0.00 60.65 60.25 1l3n s ILE 35 Cb -0.18 -2.85 0.04 0.00 1.25 0.00 0.00 42.46 40.72 1l3n s ILE 35 CO -0.17 0.00 0.47 -1.59 0.24 0.00 0.00 174.94 173.89 1l3n s LYS 36 N -5.68 0.81 0.00 0.37 -2.85 0.21 -3.81 119.74 108.79 1l3n s LYS 36 Ca 0.71 0.06 0.00 0.00 -1.00 0.00 0.00 55.97 55.74 1l3n s LYS 36 Cb -0.07 0.37 0.00 0.00 -2.06 0.00 0.00 37.83 36.07 1l3n s LYS 36 CO 0.53 -0.23 0.00 0.41 0.10 0.00 0.00 175.35 176.16 1l3n n GLY 37 N 1.27 2.06 3.48 0.59 0.00 -1.11 -0.48 105.19 111.01 1l3n n GLY 37 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 0.17 0.21 0.99 1.02 -1.17 -4.31 118.68 115.60 1l3n s LEU 38 Ca 0.00 0.90 -0.12 0.00 0.02 0.00 0.00 54.13 54.93 1l3n s LEU 38 Cb 0.00 -2.60 -0.07 0.00 0.02 0.00 0.00 46.19 43.53 1l3n s LEU 38 CO 0.00 -4.48 0.58 0.28 0.02 0.00 0.00 176.35 172.76 1l3n s THR 39 N -2.66 4.86 -0.22 5.49 -1.32 -1.26 -3.19 115.64 117.33 1l3n s THR 39 Ca 0.69 0.68 -0.42 0.00 -1.21 0.00 0.00 61.69 61.43 1l3n s THR 39 Cb -0.14 -3.66 -0.20 0.00 -1.51 0.00 0.00 72.50 66.99 1l3n s THR 39 CO 0.58 0.03 1.28 1.21 -2.21 0.00 0.00 174.62 175.51 1l3n n GLU 40 N 0.17 0.00 0.00 7.08 2.13 -1.25 -4.75 120.64 124.02 1l3n n GLU 40 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1l3n n GLU 40 Cb 0.52 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.76 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 2.58 0.56 3.78 8.31 0.00 -0.16 -4.97 105.19 115.28 1l3n n GLY 41 Ca 0.24 -2.29 -0.34 0.00 0.00 0.00 0.00 46.02 43.63 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 3.63 -0.08 0.99 2.01 -1.26 -0.57 118.68 123.40 1l3n s LEU 42 Ca 0.00 2.07 -0.11 0.00 0.01 0.00 0.00 54.13 56.10 1l3n s LEU 42 Cb 0.00 -4.57 0.03 0.00 0.01 0.00 0.00 46.19 41.66 1l3n s LEU 42 CO 0.00 -1.29 0.29 -1.00 1.01 0.00 0.00 176.35 175.35 1l3n s HIS 43 N -2.02 -0.26 -0.20 0.29 3.76 0.57 -3.72 115.29 113.72 1l3n s HIS 43 Ca 0.70 0.59 -0.24 0.00 -0.15 0.00 0.00 55.06 55.95 1l3n s HIS 43 Cb -0.21 0.09 -0.11 0.00 1.11 0.00 0.00 32.58 33.46 1l3n s HIS 43 CO 0.31 -0.23 0.79 0.41 -0.85 0.00 0.00 174.74 175.18 1l3n n GLY 44 N 2.39 0.03 2.70 -2.22 0.00 0.11 -0.77 105.19 107.43 1l3n n GLY 44 Ca -0.16 0.51 -0.21 0.00 0.00 0.00 0.00 46.02 46.16 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 1.18 -0.14 0.30 1.61 5.36 0.73 -1.24 117.98 125.77 1l3n s PHE 45 Ca 0.55 -0.12 -0.17 0.00 -0.96 0.00 0.00 56.93 56.22 1l3n s PHE 45 Cb -0.78 -0.52 0.02 0.00 -0.34 0.00 0.00 43.02 41.40 1l3n s PHE 45 CO 0.41 -0.69 0.68 -1.01 -1.46 0.00 0.00 175.22 173.15 1l3n s HIS 46 N 2.27 0.04 0.11 10.12 3.76 -1.12 -0.74 115.29 129.72 1l3n s HIS 46 Ca 0.07 -0.52 0.01 0.00 -0.15 0.00 0.00 55.06 54.47 1l3n s HIS 46 Cb -0.15 0.62 -0.04 0.00 1.11 0.00 0.00 32.58 34.11 1l3n s HIS 46 CO -0.20 -1.27 0.25 0.54 -0.85 0.00 0.00 174.74 173.21 1l3n s VAL 47 N -3.51 5.35 -0.04 -0.90 0.11 -0.87 -1.54 120.40 119.01 1l3n s VAL 47 Ca 0.15 -0.55 0.04 0.00 -2.93 0.00 0.00 61.98 58.68 1l3n s VAL 47 Cb -0.05 -3.69 -0.00 0.00 -1.53 0.00 0.00 36.38 31.12 1l3n s VAL 47 CO 0.09 0.02 -0.14 -1.00 -3.33 0.00 0.00 175.10 170.73 1l3n s HIS 48 N -1.63 1.46 0.09 1.54 3.76 0.51 -4.52 115.29 116.49 1l3n s HIS 48 Ca 0.35 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.57 1l3n s HIS 48 Cb -0.12 -0.99 -0.12 0.00 1.11 0.00 0.00 32.58 32.45 1l3n s HIS 48 CO 0.28 -0.14 1.46 1.49 -0.85 0.00 0.00 174.74 176.98 1l3n h GLU 49 N 6.30 -0.61 -6.77 1.40 4.81 -1.48 -3.11 114.58 115.11 1l3n h GLU 49 Ca -0.33 0.04 -0.49 0.00 -0.13 0.00 0.00 59.36 58.46 1l3n h GLU 49 Cb 1.17 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 1l3n h GLU 49 CO 0.48 -0.41 0.18 -0.06 -0.73 0.00 0.00 179.01 178.47 1l3n s PHE 50 N -5.29 3.48 -2.01 0.92 0.08 0.10 -4.66 117.98 110.60 1l3n s PHE 50 Ca -0.14 1.41 0.05 0.00 0.12 0.00 0.00 56.93 58.38 1l3n s PHE 50 Cb 0.05 -2.67 0.21 0.00 -0.57 0.00 0.00 43.02 40.04 1l3n s PHE 50 CO 0.50 0.13 1.15 0.41 -0.10 0.00 0.00 175.22 177.32 1l3n n GLY 51 N -0.01 -0.65 3.55 4.36 0.00 -1.23 -3.96 105.19 107.26 1l3n n GLY 51 Ca 0.02 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.09 5.04 -0.10 1.61 2.15 -1.26 -4.70 116.67 118.31 1l3n s ASP 52 Ca 0.09 0.35 0.17 0.00 0.43 0.00 0.00 52.55 53.59 1l3n s ASP 52 Cb 0.04 -2.53 0.64 0.00 -0.30 0.00 0.00 42.92 40.78 1l3n s ASP 52 CO 0.06 -2.58 1.55 0.59 -0.17 0.00 0.00 175.17 174.63 1l3n n ASN 53 N 13.75 4.40 -0.07 -0.34 4.13 -1.26 -2.86 115.26 133.00 1l3n n ASN 53 Ca 0.27 -2.46 -0.15 0.00 1.68 0.00 0.00 54.58 53.92 1l3n n ASN 53 Cb 0.52 -0.53 -0.05 0.00 -1.54 0.00 0.00 39.78 38.18 1l3n n ASN 53 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 1l3n h THR 54 N 3.51 1.29 0.00 3.41 2.02 -2.02 -2.88 112.91 118.24 1l3n h THR 54 Ca 0.00 -1.71 -0.00 0.00 0.77 0.00 0.00 66.41 65.47 1l3n h THR 54 Cb 1.35 1.72 -0.00 0.00 -1.74 0.00 0.00 68.15 69.48 1l3n h THR 54 CO 0.20 0.55 -0.02 0.00 0.37 0.00 0.00 175.52 176.62 1l3n h ALA 55 N 0.65 0.99 -1.35 6.16 0.00 -1.98 -3.49 119.26 120.24 1l3n h ALA 55 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1l3n h ALA 55 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1l3n h ALA 55 CO 0.11 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.80 1l3n n GLY 56 N 1.02 0.11 4.13 0.00 0.00 -1.09 -4.64 105.19 104.73 1l3n n GLY 56 Ca 0.04 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.76 0.33 0.09 0.00 -1.04 -1.26 -4.68 114.28 103.95 1l3n n THR 58 Ca -0.02 0.11 0.17 0.00 -2.04 0.00 0.00 64.05 62.27 1l3n n THR 58 Cb 0.46 -0.87 0.71 0.00 -1.82 0.00 0.00 70.33 68.81 1l3n n THR 58 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1l3n h SER 59 N 0.00 0.00 -1.54 8.00 0.87 -1.83 -0.22 113.55 118.84 1l3n h SER 59 Ca 0.00 0.00 0.45 0.00 -1.23 0.00 0.00 61.79 61.01 1l3n h SER 59 Cb 0.08 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.98 1l3n h SER 59 CO 0.00 0.00 1.34 0.00 -0.53 0.00 0.00 176.83 177.64 1l3n h ALA 60 N 1.78 3.46 0.00 6.23 0.00 -1.71 -3.43 119.26 125.59 1l3n h ALA 60 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1l3n h ALA 60 Cb 0.73 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1l3n h ALA 60 CO -0.00 -2.13 0.00 0.41 0.00 0.00 0.00 179.25 177.53 1l3n n GLY 61 N -1.83 1.99 2.82 0.00 0.00 -0.09 0.01 105.19 108.08 1l3n n GLY 61 Ca 0.35 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 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 2.32 1.99 -3.02 1.61 -0.04 -1.26 -4.17 135.00 132.43 1l3n n PRO 62 Ca 0.00 -1.79 -0.13 0.00 -0.04 0.00 0.00 63.50 61.55 1l3n n PRO 62 Cb 0.00 -2.76 0.06 0.00 -0.04 0.00 0.00 33.50 30.75 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 5.81 -1.57 -0.90 0.54 8.25 -1.26 -4.49 115.22 121.60 1l3n n HIS 63 Ca 0.49 0.62 -0.31 0.00 -0.26 0.00 0.00 57.72 58.27 1l3n n HIS 63 Cb 0.28 -3.87 -0.04 0.00 1.12 0.00 0.00 29.99 27.49 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 -3.40 1.54 -2.43 4.41 3.72 -1.26 -4.93 117.46 115.11 1l3n n PHE 64 Ca -0.12 -1.83 -0.39 0.00 -0.05 0.00 0.00 57.45 55.06 1l3n n PHE 64 Cb 0.59 -1.64 -0.04 0.00 -0.94 0.00 0.00 39.48 37.45 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 4.22 6.97 0.41 4.37 4.22 -1.26 -4.71 114.94 129.16 1l3n s ASN 65 Ca 0.46 2.26 0.10 0.00 -2.14 0.00 0.00 52.86 53.54 1l3n s ASN 65 Cb 0.12 -2.62 0.91 0.00 1.28 0.00 0.00 41.25 40.95 1l3n s ASN 65 CO 0.04 -0.35 2.01 1.55 -2.04 0.00 0.00 177.10 178.30 1l3n h PRO 66 N 3.25 0.51 0.00 3.55 0.13 -2.03 0.46 132.00 137.86 1l3n h PRO 66 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1l3n h PRO 66 Cb 1.22 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1l3n h PRO 66 CO 0.65 0.34 0.00 1.25 -0.23 0.00 0.00 178.00 180.01 1l3n h LEU 67 N 0.53 0.00 -0.13 1.56 6.46 -1.98 -3.47 115.31 118.27 1l3n h LEU 67 Ca 0.24 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.98 1l3n h LEU 67 Cb 0.26 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1l3n h LEU 67 CO -0.07 0.00 -0.04 -0.24 -0.62 0.00 0.00 178.44 177.47 1l3n n SER 68 N -2.69 -0.21 0.00 1.25 2.88 0.15 -4.91 113.62 110.09 1l3n n SER 68 Ca -0.01 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1l3n n SER 68 Cb 0.15 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1l3n n SER 68 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1l3n n ARG 69 N 0.10 0.00 -3.60 -1.46 1.74 -1.26 -5.11 116.66 107.06 1l3n n ARG 69 Ca -0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1l3n n ARG 69 Cb 0.02 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.43 1l3n n ARG 69 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1l3n s LYS 70 N 0.00 1.15 0.10 5.56 -2.85 -0.80 -5.06 119.74 117.83 1l3n s LYS 70 Ca 0.00 -0.68 -0.33 0.00 -1.00 0.00 0.00 55.97 53.96 1l3n s LYS 70 Cb 0.00 0.50 -0.12 0.00 -2.06 0.00 0.00 37.83 36.14 1l3n s LYS 70 CO 0.00 -0.46 1.72 1.58 0.10 0.00 0.00 175.35 178.29 1l3n n HIS 71 N -0.27 2.41 0.00 1.78 -0.00 -0.03 -2.30 115.22 116.82 1l3n n HIS 71 Ca -0.15 0.09 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 1l3n n HIS 71 Cb 0.64 -2.63 0.00 0.00 -0.00 0.00 0.00 29.99 28.00 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 3.88 5.12 0.00 1.57 0.00 -1.26 -3.00 105.19 111.50 1l3n n GLY 72 Ca 0.18 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.56 0.46 -0.02 0.00 -1.17 -4.54 105.19 99.35 1l3n n GLY 73 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.41 0.00 1.61 -0.04 -1.26 -0.94 135.00 134.77 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 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.23 5.62 -3.64 0.54 5.02 -1.26 -5.03 118.16 119.64 1l3n n LYS 75 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 1l3n n LYS 75 Cb 0.09 -0.56 -0.15 0.00 -0.02 0.00 0.00 35.03 34.39 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 -1.12 0.87 0.32 4.39 1.11 -0.12 -5.01 116.67 117.12 1l3n s ASP 76 Ca 0.00 0.24 0.26 0.00 0.18 0.00 0.00 52.55 53.23 1l3n s ASP 76 Cb 0.00 0.28 0.88 0.00 1.07 0.00 0.00 42.92 45.16 1l3n s ASP 76 CO 0.00 -0.26 1.76 -0.08 1.18 0.00 0.00 175.17 177.78 1l3n h GLU 77 N 8.36 0.00 -0.19 8.23 4.57 -1.96 -1.55 114.58 132.03 1l3n h GLU 77 Ca -0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1l3n h GLU 77 Cb 1.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1l3n h GLU 77 CO 0.16 0.00 0.00 -0.85 -1.18 0.00 0.00 179.01 177.14 1l3n n GLU 78 N -2.54 1.25 -1.22 1.92 0.00 -1.26 -4.92 120.64 113.88 1l3n n GLU 78 Ca 0.03 -0.35 -0.37 0.00 0.00 0.00 0.00 57.16 56.47 1l3n n GLU 78 Cb 0.36 -1.13 0.04 0.00 0.00 0.00 0.00 31.44 30.70 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 -0.19 0.12 -1.39 3.44 1.85 -0.59 -1.91 116.66 117.99 1l3n n ARG 79 Ca 0.03 0.05 -0.31 0.00 -1.00 0.00 0.00 57.85 56.63 1l3n n ARG 79 Cb 0.11 -1.29 0.08 0.00 -1.05 0.00 0.00 32.46 30.31 1l3n n ARG 79 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1l3n s HIS 80 N -1.96 2.78 0.28 2.89 3.76 -0.97 -4.70 115.29 117.37 1l3n s HIS 80 Ca 0.57 1.45 -0.01 0.00 -0.15 0.00 0.00 55.06 56.92 1l3n s HIS 80 Cb -0.39 -3.00 0.62 0.00 1.11 0.00 0.00 32.58 30.93 1l3n s HIS 80 CO 0.66 -1.63 1.44 1.55 -0.85 0.00 0.00 174.74 175.91 1l3n n VAL 81 N -3.40 -0.39 -2.85 -0.90 3.14 -1.26 -2.21 118.33 110.47 1l3n n VAL 81 Ca 0.08 2.05 -0.18 0.00 -2.96 0.00 0.00 64.34 63.32 1l3n n VAL 81 Cb 0.54 -2.94 -0.01 0.00 -1.06 0.00 0.00 33.84 30.37 1l3n n VAL 81 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1l3n n GLY 82 N -1.50 3.74 3.53 7.55 0.00 -1.26 -4.76 105.19 112.49 1l3n n GLY 82 Ca 0.20 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 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 -3.04 6.40 0.31 1.61 1.01 -0.94 -2.04 116.67 119.99 1l3n s ASP 83 Ca 0.39 -1.26 0.13 0.00 0.71 0.00 0.00 52.55 52.52 1l3n s ASP 83 Cb 0.38 -2.52 0.50 0.00 1.01 0.00 0.00 42.92 42.29 1l3n s ASP 83 CO -0.07 -1.51 1.68 -0.07 0.21 0.00 0.00 175.17 175.41 1l3n h LEU 84 N 12.30 0.00 0.00 1.23 -0.00 -1.66 -3.38 115.31 123.80 1l3n h LEU 84 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1l3n h LEU 84 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.69 1l3n h LEU 84 CO 1.31 0.52 0.00 0.61 -0.00 0.00 0.00 178.44 180.88 1l3n n GLY 85 N 0.14 0.93 3.09 0.83 0.00 0.08 -4.46 105.19 105.80 1l3n n GLY 85 Ca -0.01 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 44.90 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 2.12 -0.07 1.61 0.02 -1.26 -0.19 114.94 113.17 1l3n s ASN 86 Ca 0.00 -0.36 0.05 0.00 -1.02 0.00 0.00 52.86 51.52 1l3n s ASN 86 Cb 0.00 -0.90 -0.01 0.00 0.02 0.00 0.00 41.25 40.36 1l3n s ASN 86 CO 0.00 0.08 -0.21 0.68 0.02 0.00 0.00 177.10 177.67 1l3n s VAL 87 N 0.47 2.40 -0.46 1.60 -7.23 0.05 -4.83 120.40 112.40 1l3n s VAL 87 Ca -0.13 -0.94 -0.29 0.00 -1.81 0.00 0.00 61.98 58.80 1l3n s VAL 87 Cb -0.15 -1.91 0.03 0.00 0.56 0.00 0.00 36.38 34.91 1l3n s VAL 87 CO 0.05 0.57 1.15 -0.89 -0.31 0.00 0.00 175.10 175.66 1l3n s THR 88 N -0.21 4.22 -0.10 5.32 2.01 -1.26 -0.31 115.64 125.31 1l3n s THR 88 Ca -0.01 1.27 -0.17 0.00 0.31 0.00 0.00 61.69 63.09 1l3n s THR 88 Cb -0.13 -4.56 -0.05 0.00 0.01 0.00 0.00 72.50 67.77 1l3n s THR 88 CO 0.03 -0.94 0.43 0.00 -0.69 0.00 0.00 174.62 173.45 1l3n s ALA 89 N 4.41 3.54 1.11 7.40 0.00 0.26 -4.04 121.76 134.46 1l3n s ALA 89 Ca 0.48 -0.24 -0.17 0.00 0.00 0.00 0.00 51.96 52.04 1l3n s ALA 89 Cb -0.08 -2.55 0.14 0.00 0.00 0.00 0.00 23.12 20.64 1l3n s ALA 89 CO 0.30 0.13 0.28 -3.47 0.00 0.00 0.00 175.76 173.00 1l3n n ASP 90 N 3.23 -2.17 -0.34 0.00 2.03 0.29 -0.99 116.55 118.60 1l3n n ASP 90 Ca -0.09 -0.08 0.27 0.00 0.52 0.00 0.00 54.79 55.40 1l3n n ASP 90 Cb 0.52 -1.06 0.57 0.00 -0.72 0.00 0.00 41.12 40.43 1l3n n ASP 90 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1l3n h LYS 91 N -2.16 0.28 0.00 -0.67 3.64 -1.93 0.22 116.57 115.95 1l3n h LYS 91 Ca -0.54 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1l3n h LYS 91 Cb 1.35 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1l3n h LYS 91 CO 0.40 0.18 0.00 -3.47 -2.27 0.00 0.00 179.45 174.30 1l3n n ASP 92 N -4.58 0.00 0.00 4.20 2.03 -1.26 -4.36 116.55 112.58 1l3n n ASP 92 Ca 0.27 0.48 0.00 0.00 0.52 0.00 0.00 54.79 56.06 1l3n n ASP 92 Cb 1.02 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 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 1.23 0.77 3.45 0.27 0.00 0.77 -3.39 105.19 108.30 1l3n n GLY 93 Ca 0.07 -0.09 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 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 4.71 -0.26 1.61 1.01 -1.25 -2.74 120.40 121.48 1l3n s VAL 94 Ca 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 1l3n s VAL 94 Cb 0.00 -4.42 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 1l3n s VAL 94 CO 0.00 -0.99 0.23 0.00 0.00 0.00 0.00 175.10 174.33 1l3n s ALA 95 N 3.04 3.56 -1.08 5.51 0.00 -1.25 -0.55 121.76 130.99 1l3n s ALA 95 Ca 0.18 -0.95 -0.19 0.00 0.00 0.00 0.00 51.96 51.00 1l3n s ALA 95 Cb -0.19 -2.49 0.10 0.00 0.00 0.00 0.00 23.12 20.55 1l3n s ALA 95 CO 0.12 -0.45 1.41 0.16 0.00 0.00 0.00 175.76 177.00 1l3n s ASP 96 N 1.50 6.71 0.02 0.00 -4.77 -1.26 -2.29 116.67 116.59 1l3n s ASP 96 Ca 0.09 -2.11 -0.30 0.00 -3.30 0.00 0.00 52.55 46.93 1l3n s ASP 96 Cb -0.15 -2.49 -0.04 0.00 -1.09 0.00 0.00 42.92 39.15 1l3n s ASP 96 CO 0.09 -1.17 1.08 -0.69 0.70 0.00 0.00 175.17 175.18 1l3n s VAL 97 N 3.52 4.51 -0.49 2.11 1.01 0.37 -4.93 120.40 126.50 1l3n s VAL 97 Ca 0.43 1.80 0.06 0.00 0.00 0.00 0.00 61.98 64.27 1l3n s VAL 97 Cb -0.01 -4.15 0.23 0.00 0.00 0.00 0.00 36.38 32.45 1l3n s VAL 97 CO -0.04 0.13 0.82 -1.54 0.00 0.00 0.00 175.10 174.47 1l3n n SER 98 N 3.96 -2.75 -4.60 3.32 3.41 -1.25 -0.52 113.62 115.19 1l3n n SER 98 Ca 0.07 -3.17 -0.25 0.00 -0.26 0.00 0.00 58.87 55.26 1l3n n SER 98 Cb 0.49 1.60 -0.09 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 0.58 2.65 0.01 -1.33 1.09 -0.51 -4.95 121.20 118.75 1l3n s ILE 99 Ca 0.32 -2.05 0.01 0.00 -1.10 0.00 0.00 60.65 57.82 1l3n s ILE 99 Cb 0.18 -2.72 -0.01 0.00 -1.06 0.00 0.00 42.46 38.85 1l3n s ILE 99 CO -0.20 -0.24 -0.03 -1.83 -0.10 0.00 0.00 174.94 172.53 1l3n s GLU 100 N -3.67 0.26 -0.08 2.79 -1.05 -1.26 0.13 118.70 115.82 1l3n s GLU 100 Ca 0.33 -0.35 0.01 0.00 -0.15 0.00 0.00 54.97 54.81 1l3n s GLU 100 Cb -0.01 -0.08 0.02 0.00 -0.44 0.00 0.00 34.13 33.62 1l3n s GLU 100 CO 0.18 0.01 -0.10 -0.51 0.95 0.00 0.00 175.26 175.80 1l3n s ASP 101 N -0.75 1.87 -0.88 0.83 1.01 0.26 -4.94 116.67 114.07 1l3n s ASP 101 Ca -0.06 -0.28 -0.02 0.00 0.71 0.00 0.00 52.55 52.89 1l3n s ASP 101 Cb -0.05 -0.80 0.30 0.00 1.01 0.00 0.00 42.92 43.38 1l3n s ASP 101 CO -0.00 -0.04 2.08 -1.54 0.21 0.00 0.00 175.17 175.88 1l3n n SER 102 N 4.29 7.40 0.00 0.27 3.41 -1.26 -0.55 113.62 127.18 1l3n n SER 102 Ca -0.19 -3.69 0.00 0.00 -0.26 0.00 0.00 58.87 54.73 1l3n n SER 102 Cb 0.51 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 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 -0.12 0.00 -2.49 -3.33 3.14 -1.26 -5.07 118.33 109.19 1l3n n VAL 103 Ca 0.52 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.53 1l3n n VAL 103 Cb 0.28 -0.04 -0.04 0.00 -1.06 0.00 0.00 33.84 32.98 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 -1.52 3.59 0.11 1.55 1.09 -1.26 -4.81 121.20 119.94 1l3n s ILE 104 Ca 0.00 1.27 0.04 0.00 -1.10 0.00 0.00 60.65 60.86 1l3n s ILE 104 Cb 0.00 -3.68 -0.04 0.00 -1.06 0.00 0.00 42.46 37.68 1l3n s ILE 104 CO 0.00 0.06 -0.10 -0.44 -0.10 0.00 0.00 174.94 174.36 1l3n s SER 105 N -1.42 1.49 -0.15 3.58 0.01 -0.79 -4.28 113.70 112.13 1l3n s SER 105 Ca 0.56 -0.89 0.08 0.00 1.31 0.00 0.00 55.95 57.02 1l3n s SER 105 Cb -0.25 0.02 -0.23 0.00 0.21 0.00 0.00 66.02 65.77 1l3n s SER 105 CO 0.31 -0.31 0.23 0.18 0.41 0.00 0.00 173.24 174.06 1l3n n LEU 106 N 0.29 1.40 -2.82 2.44 4.77 -1.26 -0.77 117.00 121.05 1l3n n LEU 106 Ca -0.14 0.13 -0.11 0.00 -0.03 0.00 0.00 56.01 55.86 1l3n n LEU 106 Cb 0.59 -0.21 0.04 0.00 -2.33 0.00 0.00 43.42 41.51 1l3n n LEU 106 CO 0.28 0.63 0.15 -1.20 -1.33 0.00 0.00 177.39 175.93 1l3n n SER 107 N -3.08 -2.25 -2.71 -1.43 7.64 -1.26 -4.52 113.62 106.00 1l3n n SER 107 Ca -0.31 -3.31 -0.07 0.00 1.01 0.00 0.00 58.87 56.18 1l3n n SER 107 Cb 1.07 1.46 0.08 0.00 -1.01 0.00 0.00 64.21 65.81 1l3n n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1l3n n GLY 108 N 1.26 -0.18 5.00 0.23 0.00 -1.26 -4.63 105.19 105.62 1l3n n GLY 108 Ca 0.10 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 0.79 0.00 -1.30 1.61 -0.08 -1.26 -4.54 116.55 111.77 1l3n n ASP 109 Ca 0.04 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.28 1l3n n ASP 109 Cb 0.70 0.00 0.02 0.00 2.34 0.00 0.00 41.12 44.17 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 0.00 0.39 -1.51 -0.67 -0.00 -1.26 -4.88 115.22 107.30 1l3n n HIS 110 Ca 0.00 -0.86 -0.43 0.00 -0.00 0.00 0.00 57.72 56.44 1l3n n HIS 110 Cb 0.00 -0.43 -0.07 0.00 -0.00 0.00 0.00 29.99 29.49 1l3n n HIS 110 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1l3n n SER 111 N 0.59 1.86 -1.09 0.41 2.88 -1.21 -1.89 113.62 115.18 1l3n n SER 111 Ca 0.08 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.61 1l3n n SER 111 Cb 0.61 -1.33 0.10 0.00 -0.75 0.00 0.00 64.21 62.84 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 7.60 1.14 -1.99 2.46 -5.35 0.05 -4.93 119.36 118.35 1l3n n ILE 112 Ca 0.44 -0.48 -0.39 0.00 -0.27 0.00 0.00 62.75 62.05 1l3n n ILE 112 Cb 0.32 -0.58 0.00 0.00 -1.74 0.00 0.00 39.64 37.64 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 -1.35 2.49 -1.42 7.28 -1.09 -1.26 -2.80 121.20 123.05 1l3n s ILE 113 Ca 0.17 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 59.01 1l3n s ILE 113 Cb 0.13 -3.24 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 1l3n s ILE 113 CO 0.04 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.41 1l3n n GLY 114 N 0.63 1.39 3.97 6.18 0.00 -0.07 -4.97 105.19 112.31 1l3n n GLY 114 Ca 0.05 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.07 1.54 -0.08 1.61 1.81 -1.12 -3.48 118.95 116.16 1l3n s ARG 115 Ca 0.00 -0.82 0.05 0.00 -1.72 0.00 0.00 55.73 53.24 1l3n s ARG 115 Cb 0.00 -2.20 -0.00 0.00 -0.45 0.00 0.00 34.95 32.29 1l3n s ARG 115 CO 0.00 -1.61 -0.23 0.99 -0.68 0.00 0.00 175.30 173.76 1l3n s THR 116 N -3.31 1.94 0.03 0.02 2.01 -1.18 -0.85 115.64 114.30 1l3n s THR 116 Ca 0.67 -0.98 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 1l3n s THR 116 Cb -0.06 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 1l3n s THR 116 CO 0.46 0.54 0.22 -0.76 -0.69 0.00 0.00 174.62 174.38 1l3n s LEU 117 N 0.13 4.36 -0.05 4.42 1.02 0.18 -0.36 118.68 128.37 1l3n s LEU 117 Ca -0.11 0.36 0.03 0.00 0.02 0.00 0.00 54.13 54.44 1l3n s LEU 117 Cb -0.16 -2.79 0.00 0.00 0.02 0.00 0.00 46.19 43.27 1l3n s LEU 117 CO 0.06 0.21 -0.15 -0.69 0.02 0.00 0.00 176.35 175.80 1l3n s VAL 118 N -1.41 1.30 -0.22 -1.59 1.01 -0.59 -1.66 120.40 117.24 1l3n s VAL 118 Ca 0.31 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 1l3n s VAL 118 Cb -0.13 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1l3n s VAL 118 CO 0.22 0.38 0.09 0.54 0.00 0.00 0.00 175.10 176.33 1l3n s VAL 119 N 0.25 4.74 0.26 2.92 0.11 -0.27 -2.80 120.40 125.61 1l3n s VAL 119 Ca -0.07 -0.04 0.07 0.00 -2.93 0.00 0.00 61.98 59.01 1l3n s VAL 119 Cb -0.13 -3.18 -0.03 0.00 -1.53 0.00 0.00 36.38 31.51 1l3n s VAL 119 CO 0.03 0.39 0.22 -1.00 -3.33 0.00 0.00 175.10 171.40 1l3n s HIS 120 N 0.97 3.10 0.17 1.54 3.76 -0.38 -2.56 115.29 121.90 1l3n s HIS 120 Ca 0.05 -0.13 -0.27 0.00 -0.15 0.00 0.00 55.06 54.55 1l3n s HIS 120 Cb -0.14 -1.46 0.01 0.00 1.11 0.00 0.00 32.58 32.11 1l3n s HIS 120 CO 0.03 0.48 1.55 1.49 -0.85 0.00 0.00 174.74 177.43 1l3n h GLU 121 N 1.44 -0.08 -5.17 1.40 4.81 -0.85 -3.29 114.58 112.85 1l3n h GLU 121 Ca -0.48 0.01 -0.61 0.00 -0.13 0.00 0.00 59.36 58.14 1l3n h GLU 121 Cb 1.24 0.02 -0.13 0.00 0.63 0.00 0.00 28.75 30.51 1l3n h GLU 121 CO 0.60 -0.05 -0.53 0.15 -0.73 0.00 0.00 179.01 178.45 1l3n s LYS 122 N -5.67 2.03 -0.00 1.92 1.02 0.64 -4.85 119.74 114.83 1l3n s LYS 122 Ca -0.13 -2.25 -0.19 0.00 0.02 0.00 0.00 55.97 53.42 1l3n s LYS 122 Cb 0.13 -1.10 -0.06 0.00 -0.52 0.00 0.00 37.83 36.28 1l3n s LYS 122 CO 0.65 -0.37 0.56 0.00 -0.92 0.00 0.00 175.35 175.26 1l3n s ALA 123 N -3.04 3.53 0.31 5.17 0.00 -1.24 0.08 121.76 126.57 1l3n s ALA 123 Ca 0.18 -0.02 -0.27 0.00 0.00 0.00 0.00 51.96 51.85 1l3n s ALA 123 Cb 0.03 -2.68 -0.10 0.00 0.00 0.00 0.00 23.12 20.38 1l3n s ALA 123 CO 0.10 0.23 0.98 0.16 0.00 0.00 0.00 175.76 177.22 1l3n s ASP 124 N -0.37 7.29 0.00 0.00 -4.77 -1.26 -4.20 116.67 113.36 1l3n s ASP 124 Ca 0.29 1.94 0.00 0.00 -3.30 0.00 0.00 52.55 51.49 1l3n s ASP 124 Cb -0.18 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.06 1l3n s ASP 124 CO 0.16 -0.10 0.42 0.47 0.70 0.00 0.00 175.17 176.82 1l3n n ASP 125 N 0.70 0.83 -4.36 2.11 9.92 -1.26 -4.84 116.55 119.66 1l3n n ASP 125 Ca 0.01 -1.67 -0.33 0.00 -0.53 0.00 0.00 54.79 52.27 1l3n n ASP 125 Cb 0.49 -0.42 -0.10 0.00 -0.64 0.00 0.00 41.12 40.46 1l3n n ASP 125 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1l3n n LEU 126 N 0.08 -0.95 0.00 0.64 4.77 -1.26 -0.66 117.00 119.62 1l3n n LEU 126 Ca 0.00 -1.27 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 1l3n n LEU 126 Cb 0.21 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 39.70 1l3n n LEU 126 CO 0.00 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1l3n n GLY 127 N -2.29 0.79 2.08 -0.72 0.00 -1.16 -4.21 105.19 99.68 1l3n n GLY 127 Ca -0.24 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.41 3.52 0.09 1.61 5.02 0.17 -4.48 118.16 122.68 1l3n n LYS 128 Ca 0.00 -4.16 0.12 0.00 -2.02 0.00 0.00 58.31 52.26 1l3n n LYS 128 Cb 0.00 -2.25 0.24 0.00 -0.02 0.00 0.00 35.03 33.01 1l3n n LYS 128 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1l3n h GLY 129 N 2.22 0.00 -5.35 0.72 0.00 -1.79 -3.47 103.07 95.40 1l3n h GLY 129 Ca 0.34 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.36 1l3n h GLY 129 CO 0.74 0.00 -0.70 0.61 0.00 0.00 0.00 176.54 177.19 1l3n n GLY 130 N 1.31 -0.30 3.75 4.60 0.00 -1.26 -4.82 105.19 108.46 1l3n n GLY 130 Ca 0.04 0.06 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 1l3n n GLY 130 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1l3n s ASN 131 N -4.17 -0.31 0.24 1.61 0.01 -1.26 -4.97 114.94 106.09 1l3n s ASN 131 Ca 0.04 -0.44 -0.07 0.00 -0.71 0.00 0.00 52.86 51.68 1l3n s ASN 131 Cb -0.02 0.66 0.42 0.00 0.41 0.00 0.00 41.25 42.72 1l3n s ASN 131 CO 0.67 -1.19 1.63 -0.33 -1.51 0.00 0.00 177.10 176.37 1l3n h GLU 132 N 2.00 0.09 -0.55 -0.60 3.07 -1.95 0.12 114.58 116.77 1l3n h GLU 132 Ca -0.23 -0.01 0.09 0.00 -0.50 0.00 0.00 59.36 58.72 1l3n h GLU 132 Cb 1.26 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 29.12 1l3n h GLU 132 CO 0.27 0.06 0.37 1.49 -1.40 0.00 0.00 179.01 179.79 1l3n h GLU 133 N 0.09 0.36 -0.81 2.33 4.57 -1.96 -2.33 114.58 116.83 1l3n h GLU 133 Ca 0.41 -0.02 0.20 0.00 -1.18 0.00 0.00 59.36 58.76 1l3n h GLU 133 Cb 0.71 -0.08 -0.14 0.00 -0.16 0.00 0.00 28.75 29.08 1l3n h GLU 133 CO -0.67 0.24 0.08 1.03 -1.18 0.00 0.00 179.01 178.50 1l3n h SER 134 N 0.37 -0.25 -0.06 1.04 0.87 0.12 0.44 113.55 116.09 1l3n h SER 134 Ca 0.25 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 1l3n h SER 134 Cb 0.50 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1l3n h SER 134 CO -0.06 -0.18 0.00 1.07 -0.53 0.00 0.00 176.83 177.12 1l3n n THR 135 N -5.32 0.05 0.00 2.23 5.66 -0.88 -3.29 114.28 112.74 1l3n n THR 135 Ca 0.17 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1l3n n THR 135 Cb 0.56 0.63 0.00 0.00 -1.55 0.00 0.00 70.33 69.97 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 0.41 0.00 -0.56 1.09 5.02 0.60 -0.85 118.16 123.86 1l3n n LYS 136 Ca 0.18 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.51 1l3n n LYS 136 Cb 0.39 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 35.64 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 -0.98 2.39 0.00 -0.18 -2.24 -0.63 -4.55 114.28 108.09 1l3n n THR 137 Ca 0.00 -2.11 0.00 0.00 -2.27 0.00 0.00 64.05 59.67 1l3n n THR 137 Cb 0.00 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 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 -0.70 1.38 1.88 3.38 0.00 0.12 -2.09 105.19 109.15 1l3n n GLY 138 Ca 0.26 0.30 -0.01 0.00 0.00 0.00 0.00 46.02 46.57 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 4.48 -0.47 0.00 1.61 2.85 -1.26 -1.74 115.26 120.73 1l3n n ASN 139 Ca 0.00 -1.39 0.05 0.00 -0.11 0.00 0.00 54.58 53.14 1l3n n ASN 139 Cb 0.00 0.23 0.29 0.00 1.24 0.00 0.00 39.78 41.54 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 -0.49 1.74 -0.37 5.20 0.00 -0.89 -4.44 120.51 121.26 1l3n n ALA 140 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1l3n n ALA 140 Cb 0.62 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.34 -1.34 3.75 0.00 0.00 -1.26 -0.26 105.19 105.74 1l3n n GLY 141 Ca 0.06 -1.23 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 1l3n n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1l3n s SER 142 N -4.00 5.48 -0.55 1.61 0.15 -1.26 -4.55 113.70 110.57 1l3n s SER 142 Ca 0.00 2.69 -0.13 0.00 0.70 0.00 0.00 55.95 59.21 1l3n s SER 142 Cb 0.00 -2.63 -0.12 0.00 -1.71 0.00 0.00 66.02 61.56 1l3n s SER 142 CO 0.00 -1.42 1.75 0.54 1.20 0.00 0.00 173.24 175.31 1l3n n ARG 143 N -0.87 1.18 0.29 5.44 1.74 -1.26 -0.55 116.66 122.63 1l3n n ARG 143 Ca 0.09 -1.30 0.19 0.00 -0.77 0.00 0.00 57.85 56.07 1l3n n ARG 143 Cb 0.45 -2.49 0.96 0.00 -1.02 0.00 0.00 32.46 30.36 1l3n n ARG 143 CO 0.00 0.00 0.00 1.37 -1.52 0.00 0.00 177.63 177.48 1l3n h LEU 144 N 11.57 0.00 -7.20 0.55 -0.00 -1.88 -3.42 115.31 114.94 1l3n h LEU 144 Ca 0.34 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 58.13 1l3n h LEU 144 Cb 0.34 0.00 -0.21 0.00 -0.00 0.00 0.00 40.66 40.80 1l3n h LEU 144 CO 1.58 0.00 -0.04 0.00 -0.00 0.00 0.00 178.44 179.98 1l3n s ALA 145 N -3.90 -1.35 0.07 0.17 0.00 -1.06 -3.50 121.76 112.20 1l3n s ALA 145 Ca -0.02 1.17 -0.09 0.00 0.00 0.00 0.00 51.96 53.02 1l3n s ALA 145 Cb 0.11 -0.37 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 1l3n s ALA 145 CO 0.43 -0.30 0.19 0.00 0.00 0.00 0.00 175.76 176.08 1l3n s GLY 147 N -2.64 -0.26 -0.01 0.00 0.00 -0.67 -0.78 107.32 102.97 1l3n s GLY 147 Ca 0.02 0.05 0.06 0.00 0.00 0.00 0.00 44.72 44.85 1l3n s GLY 147 CO -0.09 0.01 -0.18 0.14 0.00 0.00 0.00 173.10 172.98 1l3n s VAL 148 N -3.69 2.72 -0.39 1.40 1.01 -1.26 -0.65 120.40 119.54 1l3n s VAL 148 Ca 0.09 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 1l3n s VAL 148 Cb -0.04 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.29 1l3n s VAL 148 CO 0.01 0.49 1.10 -0.63 0.00 0.00 0.00 175.10 176.07 1l3n s ILE 149 N -0.78 4.38 0.16 2.22 1.01 -0.03 -4.42 121.20 123.73 1l3n s ILE 149 Ca 0.12 1.52 0.10 0.00 0.00 0.00 0.00 60.65 62.39 1l3n s ILE 149 Cb -0.10 -4.50 -0.04 0.00 0.01 0.00 0.00 42.46 37.83 1l3n s ILE 149 CO 0.02 -0.71 -0.21 -0.83 0.00 0.00 0.00 174.94 173.21 1l3n s GLY 150 N 2.00 1.68 0.31 6.18 0.00 0.09 -0.90 107.32 116.69 1l3n s GLY 150 Ca 0.46 -1.50 -0.28 0.00 0.00 0.00 0.00 44.72 43.40 1l3n s GLY 150 CO 0.22 -1.51 1.11 -0.42 0.00 0.00 0.00 173.10 172.51 1l3n s ILE 151 N -1.42 3.43 -0.03 0.90 1.01 -1.26 -0.27 121.20 123.56 1l3n s ILE 151 Ca 0.19 1.36 -0.01 0.00 0.00 0.00 0.00 60.65 62.19 1l3n s ILE 151 Cb -0.09 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 1l3n s ILE 151 CO 0.10 0.27 -0.04 0.00 0.00 0.00 0.00 174.94 175.27 1l3n n ALA 152 N 0.86 2.63 -0.98 9.38 0.00 0.21 -4.74 120.51 127.88 1l3n n ALA 152 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1l3n n ALA 152 Cb 0.45 0.45 0.00 0.00 0.00 0.00 0.00 19.45 20.36 1l3n n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44