#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 0.34 -3.67 0.00 5.66 -1.26 -4.46 114.28 110.88 1l3n n THR 2 Ca 0.00 -0.20 -0.11 0.00 -3.05 0.00 0.00 64.05 60.69 1l3n n THR 2 Cb 0.00 -0.30 -0.06 0.00 -1.55 0.00 0.00 70.33 68.42 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 -3.10 0.98 0.21 1.09 -2.85 -1.26 -0.33 119.74 114.49 1l3n s LYS 3 Ca 0.10 -0.60 -0.01 0.00 -1.00 0.00 0.00 55.97 54.45 1l3n s LYS 3 Cb 0.14 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 36.31 1l3n s LYS 3 CO 0.64 -0.36 0.17 0.00 0.10 0.00 0.00 175.35 175.90 1l3n s ALA 4 N -3.27 1.11 0.10 0.59 0.00 0.20 -0.72 121.76 119.75 1l3n s ALA 4 Ca -0.00 -1.66 0.07 0.00 0.00 0.00 0.00 51.96 50.37 1l3n s ALA 4 Cb 0.01 1.37 -0.03 0.00 0.00 0.00 0.00 23.12 24.47 1l3n s ALA 4 CO -0.08 -0.62 -0.19 0.08 0.00 0.00 0.00 175.76 174.95 1l3n s VAL 5 N -4.10 1.56 -0.29 0.00 1.01 0.43 -0.36 120.40 118.65 1l3n s VAL 5 Ca 0.38 -1.49 -0.02 0.00 0.00 0.00 0.00 61.98 60.85 1l3n s VAL 5 Cb 0.06 -1.44 0.10 0.00 0.00 0.00 0.00 36.38 35.10 1l3n s VAL 5 CO 0.13 -0.11 0.10 0.00 0.00 0.00 0.00 175.10 175.22 1l3n s ALA 6 N -1.21 1.21 -0.26 5.51 0.00 0.84 -0.54 121.76 127.32 1l3n s ALA 6 Ca 0.04 -1.41 -0.27 0.00 0.00 0.00 0.00 51.96 50.32 1l3n s ALA 6 Cb -0.10 -1.51 0.01 0.00 0.00 0.00 0.00 23.12 21.51 1l3n s ALA 6 CO 0.04 -1.62 0.96 0.14 0.00 0.00 0.00 175.76 175.28 1l3n s VAL 7 N 1.78 4.70 -0.08 0.00 -7.23 -1.26 -1.31 120.40 117.00 1l3n s VAL 7 Ca 0.09 1.74 -0.10 0.00 -1.81 0.00 0.00 61.98 61.90 1l3n s VAL 7 Cb -0.17 -4.26 -0.05 0.00 0.56 0.00 0.00 36.38 32.46 1l3n s VAL 7 CO -0.27 -0.22 0.24 -0.76 -0.31 0.00 0.00 175.10 173.78 1l3n s LEU 8 N 3.17 4.40 0.18 1.32 1.43 0.58 -3.95 118.68 125.81 1l3n s LEU 8 Ca 0.40 0.63 -0.19 0.00 -1.03 0.00 0.00 54.13 53.95 1l3n s LEU 8 Cb -0.14 -2.27 0.04 0.00 0.03 0.00 0.00 46.19 43.85 1l3n s LEU 8 CO 0.09 0.35 0.53 -0.75 0.23 0.00 0.00 176.35 176.80 1l3n s LYS 9 N -0.88 1.32 0.00 1.70 2.20 0.19 -0.35 119.74 123.92 1l3n s LYS 9 Ca 0.18 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 55.05 1l3n s LYS 9 Cb -0.14 0.54 0.00 0.00 -1.51 0.00 0.00 37.83 36.72 1l3n s LYS 9 CO 0.07 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 174.91 1l3n n GLY 10 N -0.34 -0.13 0.13 5.54 0.00 -1.25 -0.84 105.19 108.30 1l3n n GLY 10 Ca -0.13 0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 1l3n n GLY 10 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1l3n h ASP 11 N 0.00 0.41 0.00 1.61 3.58 -1.63 -3.48 116.42 116.91 1l3n h ASP 11 Ca 0.00 -0.65 0.00 0.00 0.42 0.00 0.00 57.03 56.80 1l3n h ASP 11 Cb 0.00 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.93 1l3n h ASP 11 CO 0.00 0.99 0.00 0.61 -2.88 0.00 0.00 179.24 177.96 1l3n n GLY 12 N 0.70 1.70 0.33 -0.78 0.00 -1.26 -4.88 105.19 100.99 1l3n n GLY 12 Ca -0.08 -0.29 0.08 0.00 0.00 0.00 0.00 46.02 45.73 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 0.46 -6.00 1.61 0.13 -1.92 -3.38 132.00 122.90 1l3n h PRO 13 Ca 0.00 -0.03 -0.54 0.00 -0.87 0.00 0.00 66.00 64.57 1l3n h PRO 13 Cb 0.00 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.01 1l3n h PRO 13 CO 0.00 0.30 1.42 0.08 -0.23 0.00 0.00 178.00 179.57 1l3n s VAL 14 N -5.43 3.24 -0.24 1.56 1.01 -1.26 -3.96 120.40 115.32 1l3n s VAL 14 Ca -0.08 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.13 1l3n s VAL 14 Cb 0.19 -3.43 0.06 0.00 0.00 0.00 0.00 36.38 33.20 1l3n s VAL 14 CO 0.74 -0.34 -0.07 -1.10 0.00 0.00 0.00 175.10 174.32 1l3n s GLN 15 N 6.69 1.84 0.11 2.72 -0.21 0.49 -3.96 119.66 127.34 1l3n s GLN 15 Ca 0.86 -1.06 -0.13 0.00 0.02 0.00 0.00 55.36 55.04 1l3n s GLN 15 Cb -0.21 -2.64 -0.06 0.00 1.00 0.00 0.00 33.01 31.09 1l3n s GLN 15 CO 0.29 -0.57 0.50 0.20 -2.12 0.00 0.00 175.29 173.59 1l3n s GLY 16 N 1.32 2.44 -0.41 3.09 0.00 0.52 -0.63 107.32 113.65 1l3n s GLY 16 Ca -0.06 -0.20 0.04 0.00 0.00 0.00 0.00 44.72 44.50 1l3n s GLY 16 CO -0.06 0.07 0.34 -0.42 0.00 0.00 0.00 173.10 173.03 1l3n s ILE 17 N -1.40 0.31 -0.24 0.90 1.01 -1.24 -0.31 121.20 120.23 1l3n s ILE 17 Ca 0.35 -2.60 -0.09 0.00 0.00 0.00 0.00 60.65 58.31 1l3n s ILE 17 Cb -0.15 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 1l3n s ILE 17 CO 0.18 -1.22 0.13 -0.63 0.00 0.00 0.00 174.94 173.40 1l3n s ILE 18 N 0.11 5.02 0.35 2.92 -1.09 -0.43 -3.12 121.20 124.96 1l3n s ILE 18 Ca 0.32 0.06 -0.14 0.00 -2.23 0.00 0.00 60.65 58.67 1l3n s ILE 18 Cb 0.03 -3.34 -0.08 0.00 -1.58 0.00 0.00 42.46 37.48 1l3n s ILE 18 CO -0.19 0.34 0.75 0.20 -1.23 0.00 0.00 174.94 174.81 1l3n s ASN 19 N 1.25 6.71 -0.44 3.58 -0.87 0.68 -0.11 114.94 125.74 1l3n s ASN 19 Ca 0.06 1.26 0.03 0.00 -1.57 0.00 0.00 52.86 52.64 1l3n s ASN 19 Cb -0.14 -2.37 0.13 0.00 -0.02 0.00 0.00 41.25 38.85 1l3n s ASN 19 CO 0.05 -0.27 0.22 -0.36 -2.57 0.00 0.00 177.10 174.18 1l3n s PHE 20 N -2.10 2.44 0.14 2.20 0.40 0.51 -2.33 117.98 119.23 1l3n s PHE 20 Ca 0.54 -2.63 -0.25 0.00 -0.60 0.00 0.00 56.93 53.99 1l3n s PHE 20 Cb -0.10 -2.22 -0.07 0.00 0.51 0.00 0.00 43.02 41.13 1l3n s PHE 20 CO 0.21 -0.79 0.77 -1.21 0.70 0.00 0.00 175.22 174.90 1l3n s GLU 21 N 0.31 4.55 -0.20 0.44 8.01 -1.20 -0.63 118.70 129.97 1l3n s GLU 21 Ca 0.16 1.13 -0.00 0.00 0.01 0.00 0.00 54.97 56.28 1l3n s GLU 21 Cb -0.24 -3.29 0.05 0.00 -4.31 0.00 0.00 34.13 26.35 1l3n s GLU 21 CO -0.02 0.50 -0.05 -1.14 0.01 0.00 0.00 175.26 174.57 1l3n s GLN 22 N -0.89 1.48 0.01 1.61 2.00 0.56 -3.05 119.66 121.38 1l3n s GLN 22 Ca 0.36 -0.76 -0.26 0.00 -2.00 0.00 0.00 55.36 52.71 1l3n s GLN 22 Cb -0.22 -2.33 -0.16 0.00 0.80 0.00 0.00 33.01 31.09 1l3n s GLN 22 CO 0.25 -0.54 1.22 -0.22 -0.50 0.00 0.00 175.29 175.51 1l3n h LYS 23 N 8.05 -0.59 -4.60 1.67 3.11 -1.81 -3.42 116.57 118.98 1l3n h LYS 23 Ca -0.21 0.04 -0.25 0.00 -2.81 0.00 0.00 60.65 57.42 1l3n h LYS 23 Cb 1.09 0.13 -0.15 0.00 -1.00 0.00 0.00 32.23 32.31 1l3n h LYS 23 CO 0.41 -0.28 -0.61 -2.00 -2.81 0.00 0.00 179.45 174.15 1l3n s GLU 24 N -4.77 1.22 0.56 1.90 -6.30 -1.26 -4.98 118.70 105.08 1l3n s GLU 24 Ca -0.14 -1.65 0.33 0.00 -2.50 0.00 0.00 54.97 51.01 1l3n s GLU 24 Cb 0.02 0.27 1.65 0.00 0.00 0.00 0.00 34.13 36.07 1l3n s GLU 24 CO 0.51 -0.40 2.12 0.66 0.02 0.00 0.00 175.26 178.17 1l3n h SER 25 N 2.60 0.00 1.07 -1.70 4.64 -1.90 -0.76 113.55 117.50 1l3n h SER 25 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1l3n h SER 25 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1l3n h SER 25 CO 0.52 0.07 -0.10 0.59 -0.87 0.00 0.00 176.83 177.04 1l3n n ASN 26 N -3.40 0.34 -4.90 4.97 3.02 -1.26 -4.92 115.26 109.12 1l3n n ASN 26 Ca -0.02 0.41 -0.28 0.00 -0.03 0.00 0.00 54.58 54.67 1l3n n ASN 26 Cb 0.22 -0.45 -0.01 0.00 -0.61 0.00 0.00 39.78 38.93 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 -3.22 1.57 0.42 7.41 0.00 -0.29 -5.08 107.32 108.14 1l3n s GLY 27 Ca 0.12 -0.46 -0.22 0.00 0.00 0.00 0.00 44.72 44.16 1l3n s GLY 27 CO 0.58 -0.30 0.97 2.56 0.00 0.00 0.00 173.10 176.92 1l3n s PRO 28 N -4.58 4.20 -0.86 2.90 0.04 -1.26 -4.85 135.00 130.60 1l3n s PRO 28 Ca 0.48 1.21 -0.25 0.00 0.04 0.00 0.00 61.00 62.48 1l3n s PRO 28 Cb -0.10 -2.27 0.02 0.00 0.04 0.00 0.00 34.50 32.19 1l3n s PRO 28 CO 0.42 -0.06 1.55 0.08 0.04 0.00 0.00 177.00 179.03 1l3n s VAL 29 N -2.04 3.69 -0.73 -0.36 1.01 0.10 -4.58 120.40 117.49 1l3n s VAL 29 Ca 0.61 -0.21 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 1l3n s VAL 29 Cb -0.12 -4.66 -0.00 0.00 0.00 0.00 0.00 36.38 31.60 1l3n s VAL 29 CO 0.16 -1.58 1.65 -0.54 0.00 0.00 0.00 175.10 174.79 1l3n s LYS 30 N 5.88 2.88 -0.35 2.72 1.02 -1.17 -0.66 119.74 130.06 1l3n s LYS 30 Ca 0.50 0.06 -0.25 0.00 0.02 0.00 0.00 55.97 56.30 1l3n s LYS 30 Cb -0.05 -4.51 0.01 0.00 -0.52 0.00 0.00 37.83 32.76 1l3n s LYS 30 CO 0.03 -2.59 0.86 0.14 -0.92 0.00 0.00 175.35 172.87 1l3n s VAL 31 N 7.78 4.67 0.17 3.17 -7.23 0.94 -3.27 120.40 126.64 1l3n s VAL 31 Ca 0.55 1.12 0.06 0.00 -1.81 0.00 0.00 61.98 61.90 1l3n s VAL 31 Cb -0.09 -4.26 -0.05 0.00 0.56 0.00 0.00 36.38 32.54 1l3n s VAL 31 CO 0.13 -0.44 -0.11 -1.66 -0.31 0.00 0.00 175.10 172.71 1l3n s TRP 32 N 3.26 1.43 -1.86 2.82 -2.14 -0.98 -0.62 118.94 120.84 1l3n s TRP 32 Ca 0.35 -0.70 0.00 0.00 2.66 0.00 0.00 56.10 58.41 1l3n s TRP 32 Cb -0.13 -0.71 0.00 0.00 -3.10 0.00 0.00 33.47 29.54 1l3n s TRP 32 CO 0.17 0.17 0.00 0.41 -2.66 0.00 0.00 176.95 175.04 1l3n n GLY 33 N -0.27 -1.46 2.77 3.67 0.00 -0.02 -0.23 105.19 109.66 1l3n n GLY 33 Ca -0.09 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.73 1l3n n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1l3n s SER 34 N -2.62 0.99 0.89 1.61 0.15 -1.18 -0.63 113.70 112.90 1l3n s SER 34 Ca 0.00 0.18 -0.14 0.00 0.70 0.00 0.00 55.95 56.69 1l3n s SER 34 Cb 0.00 0.14 0.15 0.00 -1.71 0.00 0.00 66.02 64.61 1l3n s SER 34 CO 0.00 -0.26 1.25 0.27 1.20 0.00 0.00 173.24 175.70 1l3n s ILE 35 N 2.25 2.02 -0.09 6.45 -5.25 -0.69 -3.73 121.20 122.17 1l3n s ILE 35 Ca 0.04 -0.04 -0.07 0.00 -0.99 0.00 0.00 60.65 59.58 1l3n s ILE 35 Cb -0.12 -2.98 0.03 0.00 2.95 0.00 0.00 42.46 42.34 1l3n s ILE 35 CO -0.06 0.00 0.23 -1.59 -1.79 0.00 0.00 174.94 171.74 1l3n s LYS 36 N -5.72 0.24 0.00 0.37 -2.85 0.20 -3.74 119.74 108.23 1l3n s LYS 36 Ca 0.69 0.39 0.00 0.00 -1.00 0.00 0.00 55.97 56.05 1l3n s LYS 36 Cb -0.06 0.04 0.00 0.00 -2.06 0.00 0.00 37.83 35.75 1l3n s LYS 36 CO 0.51 -0.08 0.00 0.41 0.10 0.00 0.00 175.35 176.29 1l3n n GLY 37 N 3.39 1.17 3.59 0.59 0.00 0.97 -0.38 105.19 114.52 1l3n n GLY 37 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 0.72 0.25 0.99 2.01 -0.55 -4.25 118.68 117.85 1l3n s LEU 38 Ca 0.00 0.74 0.08 0.00 0.01 0.00 0.00 54.13 54.96 1l3n s LEU 38 Cb 0.00 -2.53 -0.04 0.00 0.01 0.00 0.00 46.19 43.64 1l3n s LEU 38 CO 0.00 -4.06 0.12 0.28 1.01 0.00 0.00 176.35 173.70 1l3n s THR 39 N -2.94 4.11 1.01 5.49 -1.32 -1.26 -4.00 115.64 116.72 1l3n s THR 39 Ca 0.70 -1.54 -0.14 0.00 -1.21 0.00 0.00 61.69 59.50 1l3n s THR 39 Cb -0.12 -3.20 0.08 0.00 -1.51 0.00 0.00 72.50 67.75 1l3n s THR 39 CO 0.57 -0.33 0.40 1.21 -2.21 0.00 0.00 174.62 174.26 1l3n n GLU 40 N -1.00 -0.79 0.00 7.08 2.13 -1.26 -4.62 120.64 122.18 1l3n n GLU 40 Ca -0.08 -0.20 0.00 0.00 0.66 0.00 0.00 57.16 57.55 1l3n n GLU 40 Cb 0.58 -1.88 0.00 0.00 0.27 0.00 0.00 31.44 30.41 1l3n n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1l3n n GLY 41 N 1.50 -2.33 3.76 8.31 0.00 -0.07 -4.74 105.19 111.61 1l3n n GLY 41 Ca 0.05 -1.61 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 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 4.04 -0.06 0.99 1.02 -1.26 -0.49 118.68 122.92 1l3n s LEU 42 Ca 0.00 2.71 -0.09 0.00 0.02 0.00 0.00 54.13 56.77 1l3n s LEU 42 Cb 0.00 -4.08 0.02 0.00 0.02 0.00 0.00 46.19 42.14 1l3n s LEU 42 CO 0.00 -1.19 0.23 -1.00 0.02 0.00 0.00 176.35 174.41 1l3n s HIS 43 N -1.30 -0.18 -0.10 0.29 3.76 0.60 -3.94 115.29 114.42 1l3n s HIS 43 Ca 0.64 0.40 -0.11 0.00 -0.15 0.00 0.00 55.06 55.84 1l3n s HIS 43 Cb -0.39 0.06 -0.05 0.00 1.11 0.00 0.00 32.58 33.31 1l3n s HIS 43 CO 0.48 -0.21 0.36 0.41 -0.85 0.00 0.00 174.74 174.94 1l3n n GLY 44 N 2.31 0.02 2.78 -2.22 0.00 0.73 -1.63 105.19 107.19 1l3n n GLY 44 Ca -0.17 0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 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 0.59 -0.44 0.30 1.61 5.36 0.45 -1.04 117.98 124.80 1l3n s PHE 45 Ca 0.25 0.20 -0.16 0.00 -0.96 0.00 0.00 56.93 56.26 1l3n s PHE 45 Cb -0.35 -0.33 0.02 0.00 -0.34 0.00 0.00 43.02 42.02 1l3n s PHE 45 CO 0.19 -0.73 0.64 -1.01 -1.46 0.00 0.00 175.22 172.84 1l3n s HIS 46 N 2.38 0.14 0.29 10.12 3.76 -0.81 -0.23 115.29 130.95 1l3n s HIS 46 Ca 0.09 -0.60 -0.08 0.00 -0.15 0.00 0.00 55.06 54.32 1l3n s HIS 46 Cb -0.15 0.51 -0.06 0.00 1.11 0.00 0.00 32.58 33.98 1l3n s HIS 46 CO -0.20 -1.22 0.60 0.54 -0.85 0.00 0.00 174.74 173.62 1l3n s VAL 47 N -3.57 4.92 0.13 -0.90 0.11 -0.02 -0.53 120.40 120.54 1l3n s VAL 47 Ca 0.17 0.38 0.08 0.00 -2.93 0.00 0.00 61.98 59.68 1l3n s VAL 47 Cb -0.04 -3.68 -0.04 0.00 -1.53 0.00 0.00 36.38 31.10 1l3n s VAL 47 CO 0.10 -0.25 -0.18 -1.00 -3.33 0.00 0.00 175.10 170.43 1l3n s HIS 48 N -2.03 1.69 0.10 1.54 3.76 0.59 -4.70 115.29 116.25 1l3n s HIS 48 Ca 0.47 -0.46 -0.32 0.00 -0.15 0.00 0.00 55.06 54.60 1l3n s HIS 48 Cb -0.11 -0.89 -0.12 0.00 1.11 0.00 0.00 32.58 32.57 1l3n s HIS 48 CO 0.26 0.23 1.51 1.49 -0.85 0.00 0.00 174.74 177.38 1l3n h GLU 49 N 3.69 -0.57 -7.28 1.40 4.81 -1.48 -3.28 114.58 111.87 1l3n h GLU 49 Ca -0.43 0.04 -0.50 0.00 -0.13 0.00 0.00 59.36 58.34 1l3n h GLU 49 Cb 1.19 0.13 0.06 0.00 0.63 0.00 0.00 28.75 30.76 1l3n h GLU 49 CO 0.46 -0.38 0.32 -0.06 -0.73 0.00 0.00 179.01 178.62 1l3n s PHE 50 N -5.52 3.47 -1.62 0.92 0.08 0.67 -4.67 117.98 111.30 1l3n s PHE 50 Ca -0.15 1.03 0.21 0.00 0.12 0.00 0.00 56.93 58.14 1l3n s PHE 50 Cb 0.06 -2.75 -0.08 0.00 -0.57 0.00 0.00 43.02 39.68 1l3n s PHE 50 CO 0.56 -0.78 0.99 0.41 -0.10 0.00 0.00 175.22 176.31 1l3n n GLY 51 N -2.71 -0.30 3.69 4.36 0.00 -1.14 -0.86 105.19 108.23 1l3n n GLY 51 Ca 0.05 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.58 2.31 0.00 1.61 -4.77 -1.26 -4.62 116.67 107.36 1l3n s ASP 52 Ca 0.14 0.93 0.00 0.00 -3.30 0.00 0.00 52.55 50.32 1l3n s ASP 52 Cb 0.17 -1.42 0.00 0.00 -1.09 0.00 0.00 42.92 40.57 1l3n s ASP 52 CO 0.65 -3.29 0.28 -3.20 0.70 0.00 0.00 175.17 170.30 1l3n n ASN 53 N -4.25 0.00 -0.31 2.11 2.85 -1.26 -2.63 115.26 111.77 1l3n n ASN 53 Ca 0.08 -0.68 0.19 0.00 -0.11 0.00 0.00 54.58 54.07 1l3n n ASN 53 Cb 0.58 0.00 0.46 0.00 1.24 0.00 0.00 39.78 42.07 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 3.13 0.61 0.00 -0.44 2.02 -1.95 0.31 112.91 116.59 1l3n h THR 54 Ca 0.00 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 1l3n h THR 54 Cb 0.68 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1l3n h THR 54 CO 0.00 0.09 -0.13 0.00 0.37 0.00 0.00 175.52 175.85 1l3n h ALA 55 N 1.63 0.93 -0.00 6.16 0.00 -1.97 -3.49 119.26 122.52 1l3n h ALA 55 Ca 0.56 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1l3n h ALA 55 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1l3n h ALA 55 CO -0.29 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.53 1l3n n GLY 56 N 0.94 0.35 4.02 0.00 0.00 0.11 -4.88 105.19 105.73 1l3n n GLY 56 Ca 0.03 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 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 -4.38 0.00 -0.29 0.00 -1.04 -1.26 -4.80 114.28 102.51 1l3n n THR 58 Ca -0.11 0.00 0.21 0.00 -2.04 0.00 0.00 64.05 62.11 1l3n n THR 58 Cb 0.49 -0.05 0.50 0.00 -1.82 0.00 0.00 70.33 69.46 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 0.44 -0.70 8.00 0.02 -1.84 -1.09 113.55 118.37 1l3n h SER 59 Ca 0.00 0.06 0.25 0.00 -0.84 0.00 0.00 61.79 61.26 1l3n h SER 59 Cb 0.00 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 62.45 1l3n h SER 59 CO 0.00 0.14 0.45 0.00 -1.14 0.00 0.00 176.83 176.28 1l3n n ALA 60 N -2.49 0.70 0.00 3.77 0.00 -1.08 -4.77 120.51 116.63 1l3n n ALA 60 Ca 0.22 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.12 1l3n n ALA 60 Cb 0.78 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 1.81 0.00 0.00 0.00 -0.41 -0.24 105.19 105.09 1l3n n GLY 61 Ca 0.21 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 1.62 0.72 -1.20 1.61 -0.04 -1.26 -4.63 135.00 131.82 1l3n n PRO 62 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 1l3n n PRO 62 Cb 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.36 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 -0.56 1.09 -1.45 0.54 8.25 -1.26 -3.13 115.22 118.69 1l3n n HIS 63 Ca 0.00 -2.14 -0.41 0.00 -0.26 0.00 0.00 57.72 54.90 1l3n n HIS 63 Cb 0.00 -1.89 -0.04 0.00 1.12 0.00 0.00 29.99 29.18 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 2.68 2.48 -2.68 4.41 3.72 -1.26 -4.89 117.46 121.92 1l3n n PHE 64 Ca 0.57 -2.09 -0.39 0.00 -0.05 0.00 0.00 57.45 55.49 1l3n n PHE 64 Cb 0.62 -2.05 -0.06 0.00 -0.94 0.00 0.00 39.48 37.06 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 4.71 7.43 0.00 4.37 2.20 -1.26 -4.64 114.94 127.74 1l3n s ASN 65 Ca 0.56 2.00 -0.04 0.00 -0.94 0.00 0.00 52.86 54.43 1l3n s ASN 65 Cb 0.12 -2.60 -0.20 0.00 -2.00 0.00 0.00 41.25 36.57 1l3n s ASN 65 CO 0.07 -0.01 3.15 -0.81 -2.94 0.00 0.00 177.10 176.57 1l3n n PRO 66 N 1.08 1.71 -2.68 3.55 -0.04 -1.26 -3.45 135.00 133.91 1l3n n PRO 66 Ca -0.00 -0.75 -0.06 0.00 -0.04 0.00 0.00 63.50 62.65 1l3n n PRO 66 Cb 0.47 -1.77 0.09 0.00 -0.04 0.00 0.00 33.50 32.26 1l3n n PRO 66 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1l3n n LEU 67 N 2.30 -1.72 -4.49 1.53 0.00 -1.26 -5.12 117.00 108.24 1l3n n LEU 67 Ca 0.32 -3.08 -0.47 0.00 0.00 0.00 0.00 56.01 52.78 1l3n n LEU 67 Cb 0.79 0.21 -0.06 0.00 0.00 0.00 0.00 43.42 44.36 1l3n n LEU 67 CO 0.10 1.72 1.86 -1.54 0.00 0.00 0.00 177.39 179.53 1l3n n SER 68 N -0.60 2.25 -2.12 1.96 3.41 -1.22 -4.91 113.62 112.39 1l3n n SER 68 Ca -0.09 0.26 -0.08 0.00 -0.26 0.00 0.00 58.87 58.70 1l3n n SER 68 Cb 0.80 -1.33 -0.02 0.00 -0.26 0.00 0.00 64.21 63.40 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 8.41 0.62 -3.05 4.33 1.74 -1.26 -5.13 116.66 122.32 1l3n n ARG 69 Ca 0.40 -1.14 -0.39 0.00 -0.77 0.00 0.00 57.85 55.95 1l3n n ARG 69 Cb 0.29 0.71 -0.05 0.00 -1.02 0.00 0.00 32.46 32.39 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 -2.50 4.45 -0.40 5.56 1.02 -1.23 -4.88 119.74 121.77 1l3n s LYS 70 Ca 0.09 1.00 -0.37 0.00 0.02 0.00 0.00 55.97 56.71 1l3n s LYS 70 Cb 0.00 -3.32 -0.16 0.00 -0.52 0.00 0.00 37.83 33.84 1l3n s LYS 70 CO 0.06 0.41 1.44 1.58 -0.92 0.00 0.00 175.35 177.93 1l3n n HIS 71 N 2.36 1.23 0.00 3.18 -0.00 0.03 -3.81 115.22 118.21 1l3n n HIS 71 Ca -0.05 0.81 0.00 0.00 -0.00 0.00 0.00 57.72 58.48 1l3n n HIS 71 Cb 0.50 -1.81 0.00 0.00 -0.00 0.00 0.00 29.99 28.68 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 4.25 3.23 0.00 1.57 0.00 -1.26 -1.79 105.19 111.19 1l3n n GLY 72 Ca 0.32 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1l3n n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l3n n GLY 73 N 5.00 1.01 0.07 -0.02 0.00 -1.26 -4.59 105.19 105.40 1l3n n GLY 73 Ca 0.00 -0.76 0.04 0.00 0.00 0.00 0.00 46.02 45.30 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 0.05 0.01 1.61 -0.04 -1.21 -1.35 135.00 134.08 1l3n n PRO 74 Ca 0.00 0.51 -0.14 0.00 -0.04 0.00 0.00 63.50 63.83 1l3n n PRO 74 Cb 0.00 -1.74 -0.14 0.00 -0.04 0.00 0.00 33.50 31.58 1l3n n PRO 74 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1l3n h LYS 75 N 0.00 0.13 -6.16 0.54 1.79 -1.91 -3.48 116.57 107.49 1l3n h LYS 75 Ca 0.00 -0.23 -0.50 0.00 -2.18 0.00 0.00 60.65 57.74 1l3n h LYS 75 Cb 0.15 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.84 1l3n h LYS 75 CO 0.00 0.87 -0.41 0.34 -1.08 0.00 0.00 179.45 179.17 1l3n s ASP 76 N -6.61 5.04 0.08 0.86 -1.08 -0.45 -5.03 116.67 109.49 1l3n s ASP 76 Ca -0.10 -0.71 0.22 0.00 -0.52 0.00 0.00 52.55 51.45 1l3n s ASP 76 Cb 0.07 -0.67 -0.12 0.00 -1.46 0.00 0.00 42.92 40.74 1l3n s ASP 76 CO 0.82 -0.55 0.83 -0.62 0.52 0.00 0.00 175.17 176.16 1l3n n GLU 77 N -1.46 0.56 -0.09 4.34 1.02 -1.26 -4.22 120.64 119.52 1l3n n GLU 77 Ca 0.02 -0.02 0.11 0.00 -0.02 0.00 0.00 57.16 57.24 1l3n n GLU 77 Cb 0.61 -1.66 0.35 0.00 -0.02 0.00 0.00 31.44 30.71 1l3n n GLU 77 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1l3n n GLU 78 N -2.37 1.89 -1.05 3.49 0.28 -1.26 -4.96 120.64 116.66 1l3n n GLU 78 Ca -0.01 -1.34 -0.37 0.00 -0.16 0.00 0.00 57.16 55.28 1l3n n GLU 78 Cb 0.53 -1.43 -0.03 0.00 1.43 0.00 0.00 31.44 31.95 1l3n n GLU 78 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1l3n n ARG 79 N 0.57 0.00 0.00 3.44 1.85 -1.25 -3.53 116.66 117.74 1l3n n ARG 79 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.02 1l3n n ARG 79 Cb 0.39 -0.78 0.00 0.00 -1.05 0.00 0.00 32.46 31.02 1l3n n ARG 79 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1l3n n HIS 80 N 0.11 0.00 -2.30 2.89 8.25 -1.26 -4.85 115.22 118.07 1l3n n HIS 80 Ca 0.14 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.59 1l3n n HIS 80 Cb 0.17 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.27 1l3n n HIS 80 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1l3n n VAL 81 N 0.00 0.01 0.00 1.59 3.14 -1.26 -4.91 118.33 116.90 1l3n n VAL 81 Ca 0.00 -0.61 0.00 0.00 -2.96 0.00 0.00 64.34 60.77 1l3n n VAL 81 Cb 0.00 0.80 0.00 0.00 -1.06 0.00 0.00 33.84 33.58 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 0.28 0.00 3.52 7.55 0.00 -1.26 -4.94 105.19 110.33 1l3n n GLY 82 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 6.59 0.24 1.61 1.01 -1.26 -0.84 116.67 124.02 1l3n s ASP 83 Ca 0.00 -1.80 0.03 0.00 0.71 0.00 0.00 52.55 51.49 1l3n s ASP 83 Cb 0.00 -2.50 0.26 0.00 1.01 0.00 0.00 42.92 41.69 1l3n s ASP 83 CO 0.00 -1.29 1.57 -0.07 0.21 0.00 0.00 175.17 175.60 1l3n h LEU 84 N 11.74 0.34 0.00 1.23 3.38 -1.82 -3.20 115.31 126.98 1l3n h LEU 84 Ca 0.20 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1l3n h LEU 84 Cb 1.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1l3n h LEU 84 CO 1.30 0.83 0.00 0.61 0.09 0.00 0.00 178.44 181.27 1l3n n GLY 85 N 0.19 1.00 2.93 0.83 0.00 0.68 -4.41 105.19 106.40 1l3n n GLY 85 Ca -0.02 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 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 1.24 -0.03 1.61 0.01 -1.26 -0.41 114.94 112.10 1l3n s ASN 86 Ca 0.00 -0.18 0.04 0.00 -0.71 0.00 0.00 52.86 52.01 1l3n s ASN 86 Cb 0.00 -0.57 -0.03 0.00 0.41 0.00 0.00 41.25 41.06 1l3n s ASN 86 CO 0.00 -0.04 -0.13 0.68 -1.51 0.00 0.00 177.10 176.11 1l3n s VAL 87 N 0.91 3.19 -0.08 1.60 -7.23 -0.64 -4.86 120.40 113.28 1l3n s VAL 87 Ca -0.11 -0.79 -0.16 0.00 -1.81 0.00 0.00 61.98 59.11 1l3n s VAL 87 Cb -0.15 -2.30 -0.05 0.00 0.56 0.00 0.00 36.38 34.45 1l3n s VAL 87 CO 0.01 0.51 0.42 0.28 -0.31 0.00 0.00 175.10 176.01 1l3n s THR 88 N -0.82 5.15 -0.16 5.32 -1.32 -1.26 -0.29 115.64 122.25 1l3n s THR 88 Ca 0.13 0.84 -0.10 0.00 -1.21 0.00 0.00 61.69 61.35 1l3n s THR 88 Cb -0.11 -3.75 -0.05 0.00 -1.51 0.00 0.00 72.50 67.09 1l3n s THR 88 CO 0.03 0.43 0.18 0.00 -2.21 0.00 0.00 174.62 173.05 1l3n s ALA 89 N -0.02 3.72 1.14 11.08 0.00 0.35 -3.92 121.76 134.10 1l3n s ALA 89 Ca 0.23 -0.60 -0.13 0.00 0.00 0.00 0.00 51.96 51.47 1l3n s ALA 89 Cb -0.15 -2.18 0.27 0.00 0.00 0.00 0.00 23.12 21.06 1l3n s ALA 89 CO 0.10 0.29 1.04 0.34 0.00 0.00 0.00 175.76 177.53 1l3n s ASP 90 N -0.07 1.23 0.58 0.00 2.15 0.44 -0.90 116.67 120.10 1l3n s ASP 90 Ca 0.13 1.52 0.38 0.00 0.43 0.00 0.00 52.55 55.01 1l3n s ASP 90 Cb -0.12 -2.27 1.93 0.00 -0.30 0.00 0.00 42.92 42.16 1l3n s ASP 90 CO 0.02 -4.05 2.16 0.07 -0.17 0.00 0.00 175.17 173.20 1l3n h LYS 91 N -2.52 0.00 0.00 4.34 -0.00 -1.95 0.74 116.57 117.18 1l3n h LYS 91 Ca -0.60 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.05 1l3n h LYS 91 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.56 1l3n h LYS 91 CO 0.51 0.00 0.00 -3.47 -0.00 0.00 0.00 179.45 176.49 1l3n n ASP 92 N -2.95 0.35 0.00 7.07 2.03 -1.26 -4.77 116.55 117.02 1l3n n ASP 92 Ca -0.02 0.55 0.00 0.00 0.52 0.00 0.00 54.79 55.84 1l3n n ASP 92 Cb 0.14 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 39.90 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 1.05 0.56 3.34 0.27 0.00 0.25 -4.60 105.19 106.07 1l3n n GLY 93 Ca 0.05 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 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 3.84 -0.21 1.61 1.01 -1.25 -0.02 120.40 123.38 1l3n s VAL 94 Ca 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 1l3n s VAL 94 Cb 0.00 -2.92 -0.00 0.00 0.00 0.00 0.00 36.38 33.45 1l3n s VAL 94 CO 0.00 0.17 -0.08 0.00 0.00 0.00 0.00 175.10 175.20 1l3n s ALA 95 N 1.50 2.72 -0.30 5.51 0.00 -1.25 -0.42 121.76 129.52 1l3n s ALA 95 Ca 0.03 -1.15 -0.25 0.00 0.00 0.00 0.00 51.96 50.59 1l3n s ALA 95 Cb -0.16 -1.57 0.01 0.00 0.00 0.00 0.00 23.12 21.39 1l3n s ALA 95 CO 0.01 -0.36 0.88 0.16 0.00 0.00 0.00 175.76 176.46 1l3n s ASP 96 N 1.35 6.78 -0.17 0.00 -4.77 -1.25 -1.71 116.67 116.89 1l3n s ASP 96 Ca 0.04 0.84 -0.08 0.00 -3.30 0.00 0.00 52.55 50.06 1l3n s ASP 96 Cb -0.14 -2.45 -0.04 0.00 -1.09 0.00 0.00 42.92 39.19 1l3n s ASP 96 CO -0.04 -0.68 0.09 -0.69 0.70 0.00 0.00 175.17 174.55 1l3n s VAL 97 N 3.14 5.02 -0.51 2.11 1.01 0.20 -4.74 120.40 126.64 1l3n s VAL 97 Ca 0.37 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.46 1l3n s VAL 97 Cb -0.14 -3.25 0.21 0.00 0.00 0.00 0.00 36.38 33.20 1l3n s VAL 97 CO 0.12 0.48 0.79 -1.54 0.00 0.00 0.00 175.10 174.95 1l3n n SER 98 N 3.24 -3.17 -4.47 3.32 3.41 -1.24 -0.84 113.62 113.88 1l3n n SER 98 Ca -0.17 -3.07 -0.30 0.00 -0.26 0.00 0.00 58.87 55.07 1l3n n SER 98 Cb 0.53 1.74 -0.12 0.00 -0.26 0.00 0.00 64.21 66.09 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 0.77 2.79 -0.42 -1.33 1.09 0.21 -4.97 121.20 119.34 1l3n s ILE 99 Ca 0.31 -1.33 -0.09 0.00 -1.10 0.00 0.00 60.65 58.44 1l3n s ILE 99 Cb 0.09 -2.22 0.08 0.00 -1.06 0.00 0.00 42.46 39.36 1l3n s ILE 99 CO -0.13 0.23 0.25 -1.83 -0.10 0.00 0.00 174.94 173.36 1l3n s GLU 100 N -1.74 2.57 -0.19 2.79 1.03 -1.26 -0.04 118.70 121.86 1l3n s GLU 100 Ca 0.16 -1.47 -0.22 0.00 0.03 0.00 0.00 54.97 53.47 1l3n s GLU 100 Cb -0.10 -3.76 -0.02 0.00 -0.80 0.00 0.00 34.13 29.44 1l3n s GLU 100 CO 0.07 -0.95 0.68 0.34 -1.33 0.00 0.00 175.26 174.07 1l3n s ASP 101 N 2.09 6.75 -0.48 0.83 -1.08 0.17 -4.91 116.67 120.05 1l3n s ASP 101 Ca 0.03 0.92 0.03 0.00 -0.52 0.00 0.00 52.55 53.01 1l3n s ASP 101 Cb -0.23 -2.38 0.44 0.00 -1.46 0.00 0.00 42.92 39.29 1l3n s ASP 101 CO 0.02 -0.31 1.46 -1.54 0.52 0.00 0.00 175.17 175.32 1l3n n SER 102 N 5.13 5.82 0.00 -0.34 3.41 -1.26 0.03 113.62 126.41 1l3n n SER 102 Ca 0.00 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.85 1l3n n SER 102 Cb 0.49 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 -0.69 0.00 -2.35 -3.33 3.14 -1.26 -5.06 118.33 108.78 1l3n n VAL 103 Ca 0.48 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.61 1l3n n VAL 103 Cb 0.74 -0.28 0.11 0.00 -1.06 0.00 0.00 33.84 33.35 1l3n n VAL 103 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 1l3n s ILE 104 N -1.49 2.19 -0.26 1.55 -5.25 -1.26 -5.07 121.20 111.60 1l3n s ILE 104 Ca 0.00 -0.39 -0.23 0.00 -0.99 0.00 0.00 60.65 59.04 1l3n s ILE 104 Cb 0.00 -2.80 0.07 0.00 2.95 0.00 0.00 42.46 42.68 1l3n s ILE 104 CO 0.00 0.00 0.69 -0.44 -1.79 0.00 0.00 174.94 173.40 1l3n s SER 105 N -4.69 -0.76 0.18 4.36 0.01 -1.26 -4.53 113.70 107.02 1l3n s SER 105 Ca 0.66 1.41 0.26 0.00 1.31 0.00 0.00 55.95 59.58 1l3n s SER 105 Cb -0.07 1.41 0.68 0.00 0.21 0.00 0.00 66.02 68.25 1l3n s SER 105 CO 0.46 -0.24 1.64 0.00 0.41 0.00 0.00 173.24 175.51 1l3n n LEU 106 N 2.96 0.78 -3.70 2.44 -0.00 -1.26 -0.70 117.00 117.52 1l3n n LEU 106 Ca -0.15 0.47 -0.15 0.00 -0.00 0.00 0.00 56.01 56.18 1l3n n LEU 106 Cb 0.56 -0.28 -0.15 0.00 -0.00 0.00 0.00 43.42 43.55 1l3n n LEU 106 CO 0.03 -0.14 -0.23 -0.44 -0.00 0.00 0.00 177.39 176.60 1l3n s SER 107 N -4.43 0.40 0.00 1.45 0.01 -1.26 -4.36 113.70 105.52 1l3n s SER 107 Ca 0.09 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.68 1l3n s SER 107 Cb 0.13 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.60 1l3n s SER 107 CO 0.63 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.69 1l3n n GLY 108 N 4.88 -0.70 1.33 3.44 0.00 -1.26 -4.73 105.19 108.15 1l3n n GLY 108 Ca -0.13 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.26 0.05 1.61 -0.08 -1.26 -4.96 116.55 111.64 1l3n n ASP 109 Ca 0.00 0.07 -0.13 0.00 -1.51 0.00 0.00 54.79 53.22 1l3n n ASP 109 Cb 0.00 0.56 -0.03 0.00 2.34 0.00 0.00 41.12 43.99 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 0.64 -6.76 -0.67 3.86 -1.92 -3.47 115.15 106.83 1l3n h HIS 110 Ca 0.00 -0.32 -0.54 0.00 -1.16 0.00 0.00 60.37 58.34 1l3n h HIS 110 Cb 0.00 -0.08 0.01 0.00 1.06 0.00 0.00 27.41 28.39 1l3n h HIS 110 CO 0.00 1.13 -1.00 0.45 0.86 0.00 0.00 177.93 179.37 1l3n n SER 111 N -3.79 -4.54 -1.13 2.45 2.88 0.13 -4.77 113.62 104.84 1l3n n SER 111 Ca -0.06 -1.18 0.00 0.00 -1.33 0.00 0.00 58.87 56.30 1l3n n SER 111 Cb 0.79 -2.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.23 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 -4.44 0.88 -1.93 2.46 -0.00 -0.92 -4.82 119.36 110.60 1l3n n ILE 112 Ca -0.14 -0.08 -0.36 0.00 -0.00 0.00 0.00 62.75 62.17 1l3n n ILE 112 Cb 0.59 -0.97 0.04 0.00 -0.00 0.00 0.00 39.64 39.30 1l3n n ILE 112 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1l3n s ILE 113 N 0.33 2.54 -1.22 7.28 -1.09 -1.26 -3.58 121.20 124.20 1l3n s ILE 113 Ca 0.00 0.33 -0.02 0.00 -2.23 0.00 0.00 60.65 58.73 1l3n s ILE 113 Cb 0.00 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.78 1l3n s ILE 113 CO 0.00 -0.08 0.29 0.61 -1.23 0.00 0.00 174.94 174.53 1l3n n GLY 114 N 0.52 -0.23 3.97 6.18 0.00 -0.70 -4.98 105.19 109.96 1l3n n GLY 114 Ca 0.14 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 -5.16 3.15 -0.20 1.61 1.81 -1.23 -2.90 118.95 116.02 1l3n s ARG 115 Ca 0.14 -0.98 -0.08 0.00 -1.72 0.00 0.00 55.73 53.09 1l3n s ARG 115 Cb -0.06 -2.80 -0.04 0.00 -0.45 0.00 0.00 34.95 31.60 1l3n s ARG 115 CO 0.18 0.15 0.08 0.99 -0.68 0.00 0.00 175.30 176.02 1l3n s THR 116 N -2.14 4.79 0.07 0.02 2.01 -0.04 -1.23 115.64 119.12 1l3n s THR 116 Ca 0.42 -0.03 -0.20 0.00 0.31 0.00 0.00 61.69 62.20 1l3n s THR 116 Cb -0.09 -3.19 -0.07 0.00 0.01 0.00 0.00 72.50 69.17 1l3n s THR 116 CO 0.30 0.42 0.57 -0.76 -0.69 0.00 0.00 174.62 174.47 1l3n s LEU 117 N 0.68 4.52 -0.03 4.42 2.01 -1.23 -0.30 118.68 128.76 1l3n s LEU 117 Ca 0.04 1.26 0.06 0.00 0.01 0.00 0.00 54.13 55.51 1l3n s LEU 117 Cb -0.13 -2.91 -0.01 0.00 0.01 0.00 0.00 46.19 43.15 1l3n s LEU 117 CO 0.02 0.26 -0.22 -0.69 1.01 0.00 0.00 176.35 176.73 1l3n s VAL 118 N -1.05 1.75 -0.13 -1.59 1.01 0.31 -0.93 120.40 119.77 1l3n s VAL 118 Ca 0.29 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 1l3n s VAL 118 Cb -0.19 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1l3n s VAL 118 CO 0.19 0.50 0.03 0.54 0.00 0.00 0.00 175.10 176.35 1l3n s VAL 119 N -0.39 4.49 0.29 2.92 0.11 -0.19 -1.92 120.40 125.71 1l3n s VAL 119 Ca 0.05 -0.16 0.09 0.00 -2.93 0.00 0.00 61.98 59.04 1l3n s VAL 119 Cb -0.10 -2.96 -0.04 0.00 -1.53 0.00 0.00 36.38 31.75 1l3n s VAL 119 CO 0.00 0.54 0.01 -1.00 -3.33 0.00 0.00 175.10 171.32 1l3n s HIS 120 N -0.24 2.65 0.12 1.54 3.76 -0.21 -2.82 115.29 120.09 1l3n s HIS 120 Ca 0.07 -0.28 -0.20 0.00 -0.15 0.00 0.00 55.06 54.50 1l3n s HIS 120 Cb -0.12 -1.28 -0.04 0.00 1.11 0.00 0.00 32.58 32.24 1l3n s HIS 120 CO 0.02 0.57 1.73 1.49 -0.85 0.00 0.00 174.74 177.70 1l3n h GLU 121 N 1.85 0.10 -5.56 1.40 4.22 -0.95 -3.28 114.58 112.36 1l3n h GLU 121 Ca -0.44 -0.01 -0.63 0.00 0.08 0.00 0.00 59.36 58.37 1l3n h GLU 121 Cb 1.25 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.38 1l3n h GLU 121 CO 0.62 0.07 -0.46 0.15 -2.18 0.00 0.00 179.01 177.20 1l3n s LYS 122 N -6.19 2.20 0.12 1.92 1.02 0.52 -4.85 119.74 114.49 1l3n s LYS 122 Ca -0.13 -2.18 -0.10 0.00 0.02 0.00 0.00 55.97 53.58 1l3n s LYS 122 Cb 0.09 -1.77 -0.06 0.00 -0.52 0.00 0.00 37.83 35.57 1l3n s LYS 122 CO 0.69 -0.37 0.45 0.00 -0.92 0.00 0.00 175.35 175.19 1l3n s ALA 123 N -2.79 3.68 0.49 5.17 0.00 -1.25 -0.20 121.76 126.87 1l3n s ALA 123 Ca 0.22 -0.34 -0.19 0.00 0.00 0.00 0.00 51.96 51.64 1l3n s ALA 123 Cb 0.02 -2.32 -0.08 0.00 0.00 0.00 0.00 23.12 20.73 1l3n s ALA 123 CO 0.12 0.55 1.01 -0.51 0.00 0.00 0.00 175.76 176.94 1l3n s ASP 124 N -1.94 6.44 -0.08 0.00 1.11 -1.26 -3.89 116.67 117.05 1l3n s ASP 124 Ca 0.37 1.80 0.08 0.00 0.18 0.00 0.00 52.55 54.99 1l3n s ASP 124 Cb -0.13 -2.54 0.37 0.00 1.07 0.00 0.00 42.92 41.68 1l3n s ASP 124 CO 0.20 -0.71 1.16 0.47 1.18 0.00 0.00 175.17 177.46 1l3n n ASP 125 N -1.14 2.81 -4.00 0.27 8.00 -1.26 -4.81 116.55 116.42 1l3n n ASP 125 Ca 0.08 -2.30 -0.28 0.00 0.71 0.00 0.00 54.79 53.01 1l3n n ASP 125 Cb 0.53 -0.47 -0.08 0.00 -0.02 0.00 0.00 41.12 41.08 1l3n n ASP 125 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1l3n n LEU 126 N 0.38 -0.76 0.00 0.64 4.77 -1.26 -0.79 117.00 119.97 1l3n n LEU 126 Ca 0.13 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 1l3n n LEU 126 Cb 0.57 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 1l3n n LEU 126 CO 0.13 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1l3n n GLY 127 N -1.98 3.18 1.85 -0.72 0.00 -0.74 -4.27 105.19 102.51 1l3n n GLY 127 Ca -0.18 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 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 1.64 0.11 1.61 5.02 0.03 -3.83 118.16 122.74 1l3n n LYS 128 Ca 0.00 -0.90 -0.22 0.00 -2.02 0.00 0.00 58.31 55.16 1l3n n LYS 128 Cb 0.00 -1.57 -0.15 0.00 -0.02 0.00 0.00 35.03 33.29 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 3.62 0.49 -4.26 0.72 0.00 -1.77 -3.47 103.07 98.41 1l3n h GLY 129 Ca 0.16 -1.26 -0.21 0.00 0.00 0.00 0.00 47.33 46.02 1l3n h GLY 129 CO 0.33 1.10 -0.48 0.61 0.00 0.00 0.00 176.54 178.11 1l3n n GLY 130 N 1.72 -0.05 3.20 4.60 0.00 -1.25 -4.98 105.19 108.43 1l3n n GLY 130 Ca -0.18 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.76 0.55 0.20 1.61 0.01 -1.26 -4.95 114.94 107.34 1l3n s ASN 131 Ca 0.05 -1.26 -0.10 0.00 -0.71 0.00 0.00 52.86 50.84 1l3n s ASN 131 Cb -0.02 0.26 0.26 0.00 0.41 0.00 0.00 41.25 42.16 1l3n s ASN 131 CO 0.46 -0.72 1.72 -0.08 -1.51 0.00 0.00 177.10 176.97 1l3n h GLU 132 N 2.73 0.30 -0.73 -0.60 4.22 -1.97 0.14 114.58 118.68 1l3n h GLU 132 Ca -0.36 -0.02 0.06 0.00 0.08 0.00 0.00 59.36 59.12 1l3n h GLU 132 Cb 1.22 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.34 1l3n h GLU 132 CO 0.59 0.20 0.43 1.49 -2.18 0.00 0.00 179.01 179.54 1l3n h GLU 133 N 0.31 0.77 -0.35 1.92 4.81 -1.96 -3.20 114.58 116.89 1l3n h GLU 133 Ca 0.30 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1l3n h GLU 133 Cb 0.40 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1l3n h GLU 133 CO -0.35 0.51 0.24 0.66 -0.73 0.00 0.00 179.01 179.34 1l3n h SER 134 N 0.80 0.33 0.76 1.04 4.64 -0.66 0.36 113.55 120.83 1l3n h SER 134 Ca 0.32 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1l3n h SER 134 Cb 0.16 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1l3n h SER 134 CO -0.17 0.23 0.00 1.07 -0.87 0.00 0.00 176.83 177.09 1l3n n THR 135 N -4.49 0.09 0.02 2.95 5.66 -1.15 -3.34 114.28 114.02 1l3n n THR 135 Ca 0.03 0.02 -0.02 0.00 -3.05 0.00 0.00 64.05 61.04 1l3n n THR 135 Cb 0.14 -0.55 -0.01 0.00 -1.55 0.00 0.00 70.33 68.36 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 -1.40 0.09 0.00 1.09 5.02 0.75 -0.79 118.16 122.92 1l3n n LYS 136 Ca 0.10 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1l3n n LYS 136 Cb 0.28 -0.65 0.00 0.00 -0.02 0.00 0.00 35.03 34.63 1l3n n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1l3n n THR 137 N -3.63 0.00 0.00 -0.18 -2.24 0.93 -4.39 114.28 104.76 1l3n n THR 137 Ca -0.03 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1l3n n THR 137 Cb 0.11 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 0.38 1.62 1.03 3.38 0.00 -0.41 -3.94 105.19 107.26 1l3n n GLY 138 Ca 0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.36 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 3.30 -0.39 0.15 1.61 2.85 -1.26 -3.13 115.26 118.39 1l3n n ASN 139 Ca 0.00 -0.90 0.02 0.00 -0.11 0.00 0.00 54.58 53.60 1l3n n ASN 139 Cb 0.00 0.14 0.17 0.00 1.24 0.00 0.00 39.78 41.33 1l3n n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1l3n h ALA 140 N 0.10 0.81 -0.59 5.20 0.00 -1.68 -3.36 119.26 119.73 1l3n h ALA 140 Ca -0.18 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1l3n h ALA 140 Cb 0.90 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1l3n h ALA 140 CO -0.09 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1l3n n GLY 141 N 0.69 -0.03 3.75 0.00 0.00 -1.26 -0.35 105.19 107.98 1l3n n GLY 141 Ca 0.00 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.77 3.49 -3.35 1.61 2.88 -1.26 -4.56 113.62 110.66 1l3n n SER 142 Ca 0.00 1.21 -0.30 0.00 -1.33 0.00 0.00 58.87 58.46 1l3n n SER 142 Cb 0.00 -1.57 -0.05 0.00 -0.75 0.00 0.00 64.21 61.83 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 0.72 0.81 0.30 -1.46 1.74 -1.26 -0.84 116.66 116.67 1l3n n ARG 143 Ca 0.03 -1.20 0.20 0.00 -0.77 0.00 0.00 57.85 56.12 1l3n n ARG 143 Cb 0.38 -2.49 1.06 0.00 -1.02 0.00 0.00 32.46 30.39 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 13.10 0.00 -7.19 0.55 8.10 -1.87 -3.42 115.31 124.59 1l3n h LEU 144 Ca 0.29 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 58.20 1l3n h LEU 144 Cb 0.42 0.00 -0.19 0.00 -0.44 0.00 0.00 40.66 40.45 1l3n h LEU 144 CO 1.66 0.00 0.02 0.00 -4.11 0.00 0.00 178.44 176.02 1l3n s ALA 145 N -3.99 -1.39 0.20 0.17 0.00 -1.13 -1.87 121.76 113.75 1l3n s ALA 145 Ca -0.04 0.89 -0.16 0.00 0.00 0.00 0.00 51.96 52.65 1l3n s ALA 145 Cb 0.12 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.35 1l3n s ALA 145 CO 0.40 -0.36 0.49 0.00 0.00 0.00 0.00 175.76 176.29 1l3n n GLY 147 N -0.33 3.70 2.91 0.00 0.00 -0.11 -0.63 105.19 110.72 1l3n n GLY 147 Ca -0.08 -1.68 -0.16 0.00 0.00 0.00 0.00 46.02 44.10 1l3n n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1l3n s VAL 148 N -2.31 0.31 -0.28 1.61 1.01 -1.26 -3.47 120.40 116.01 1l3n s VAL 148 Ca 0.08 -0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 1l3n s VAL 148 Cb 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 1l3n s VAL 148 CO 0.06 0.12 1.40 -0.63 0.00 0.00 0.00 175.10 176.05 1l3n s ILE 149 N 0.27 3.99 0.13 2.22 1.01 -0.37 -4.37 121.20 124.08 1l3n s ILE 149 Ca -0.03 1.11 0.08 0.00 0.00 0.00 0.00 60.65 61.82 1l3n s ILE 149 Cb -0.06 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 1l3n s ILE 149 CO -0.00 -0.44 -0.12 -0.83 0.00 0.00 0.00 174.94 173.54 1l3n s GLY 150 N 3.31 1.74 0.29 6.18 0.00 0.30 -1.71 107.32 117.43 1l3n s GLY 150 Ca 0.61 -1.35 -0.29 0.00 0.00 0.00 0.00 44.72 43.69 1l3n s GLY 150 CO 0.26 -1.34 1.12 -0.42 0.00 0.00 0.00 173.10 172.72 1l3n s ILE 151 N -1.34 3.39 -0.06 0.90 1.01 -1.26 -0.43 121.20 123.40 1l3n s ILE 151 Ca 0.21 1.38 -0.01 0.00 0.00 0.00 0.00 60.65 62.23 1l3n s ILE 151 Cb -0.10 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1l3n s ILE 151 CO 0.13 0.31 -0.06 0.00 0.00 0.00 0.00 174.94 175.32 1l3n n ALA 152 N 1.06 2.28 -0.74 9.38 0.00 -0.60 -4.75 120.51 127.14 1l3n n ALA 152 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1l3n n ALA 152 Cb 0.45 0.40 0.00 0.00 0.00 0.00 0.00 19.45 20.30 1l3n n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44