#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l3n h THR 2 N 0.00 1.12 -3.93 0.00 1.03 -1.90 -3.42 112.91 105.80 1l3n h THR 2 Ca 0.00 -0.56 -0.68 0.00 -0.01 0.00 0.00 66.41 65.15 1l3n h THR 2 Cb 0.00 1.23 -0.22 0.00 -1.07 0.00 0.00 68.15 68.10 1l3n h THR 2 CO 0.00 0.17 -0.82 -0.75 -0.01 0.00 0.00 175.52 174.11 1l3n s LYS 3 N -4.75 1.88 0.35 0.00 2.36 -1.26 -0.41 119.74 117.91 1l3n s LYS 3 Ca -0.05 -1.09 -0.11 0.00 -2.55 0.00 0.00 55.97 52.17 1l3n s LYS 3 Cb 0.16 -2.11 0.03 0.00 -1.05 0.00 0.00 37.83 34.86 1l3n s LYS 3 CO 0.70 0.51 0.64 0.00 1.55 0.00 0.00 175.35 178.76 1l3n s ALA 4 N -0.99 -0.21 0.15 3.13 0.00 0.60 -2.96 121.76 121.48 1l3n s ALA 4 Ca 0.15 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1l3n s ALA 4 Cb -0.10 0.89 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 1l3n s ALA 4 CO 0.06 -0.91 0.01 0.08 0.00 0.00 0.00 175.76 175.00 1l3n s VAL 5 N -2.88 0.54 -0.27 0.00 1.01 -0.90 -0.96 120.40 116.95 1l3n s VAL 5 Ca 0.21 -1.95 -0.00 0.00 0.00 0.00 0.00 61.98 60.23 1l3n s VAL 5 Cb -0.03 -2.04 0.15 0.00 0.00 0.00 0.00 36.38 34.45 1l3n s VAL 5 CO 0.14 -0.53 0.39 0.00 0.00 0.00 0.00 175.10 175.10 1l3n s ALA 6 N -3.75 -1.14 -0.16 5.51 0.00 0.60 -3.23 121.76 119.58 1l3n s ALA 6 Ca 0.22 0.51 -0.17 0.00 0.00 0.00 0.00 51.96 52.53 1l3n s ALA 6 Cb 0.06 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 1l3n s ALA 6 CO 0.02 -1.54 0.42 0.14 0.00 0.00 0.00 175.76 174.80 1l3n s VAL 7 N 2.54 5.21 -0.09 0.00 -7.23 -1.25 -0.50 120.40 119.08 1l3n s VAL 7 Ca 0.11 0.80 -0.01 0.00 -1.81 0.00 0.00 61.98 61.07 1l3n s VAL 7 Cb -0.14 -3.75 -0.03 0.00 0.56 0.00 0.00 36.38 33.02 1l3n s VAL 7 CO -0.24 0.30 -0.06 -0.76 -0.31 0.00 0.00 175.10 174.03 1l3n s LEU 8 N 0.91 3.21 0.15 1.32 1.43 -0.08 -4.09 118.68 121.53 1l3n s LEU 8 Ca 0.22 -0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 53.20 1l3n s LEU 8 Cb -0.15 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 1l3n s LEU 8 CO 0.08 0.31 0.24 -0.54 0.23 0.00 0.00 176.35 176.67 1l3n s LYS 9 N -0.50 1.10 0.23 1.70 1.02 0.09 -0.06 119.74 123.32 1l3n s LYS 9 Ca 0.08 -1.21 0.00 0.00 0.02 0.00 0.00 55.97 54.86 1l3n s LYS 9 Cb -0.12 0.35 0.00 0.00 -0.52 0.00 0.00 37.83 37.54 1l3n s LYS 9 CO 0.02 -0.39 0.00 0.41 -0.92 0.00 0.00 175.35 174.48 1l3n n GLY 10 N -0.18 -1.63 0.15 -3.33 0.00 -1.25 -0.83 105.19 98.12 1l3n n GLY 10 Ca -0.07 0.50 -0.15 0.00 0.00 0.00 0.00 46.02 46.30 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 0.49 0.00 1.61 3.58 -1.80 -3.49 116.42 116.81 1l3n h ASP 11 Ca 0.00 -0.61 0.00 0.00 0.42 0.00 0.00 57.03 56.84 1l3n h ASP 11 Cb 0.00 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 40.91 1l3n h ASP 11 CO 0.00 1.02 0.00 0.61 -2.88 0.00 0.00 179.24 177.99 1l3n n GLY 12 N 0.60 1.91 0.35 -0.78 0.00 -1.26 -4.91 105.19 101.10 1l3n n GLY 12 Ca -0.08 -0.32 0.07 0.00 0.00 0.00 0.00 46.02 45.69 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 0.73 -5.76 1.61 0.13 -1.92 -3.37 132.00 123.42 1l3n h PRO 13 Ca 0.00 -0.04 -0.41 0.00 -0.87 0.00 0.00 66.00 64.68 1l3n h PRO 13 Cb 0.00 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 30.95 1l3n h PRO 13 CO 0.00 0.48 1.22 0.08 -0.23 0.00 0.00 178.00 179.55 1l3n s VAL 14 N -5.67 3.22 -0.30 1.56 1.01 -1.26 -4.02 120.40 114.94 1l3n s VAL 14 Ca -0.10 0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1l3n s VAL 14 Cb 0.19 -3.55 0.08 0.00 0.00 0.00 0.00 36.38 33.10 1l3n s VAL 14 CO 0.77 -0.53 -0.03 0.00 0.00 0.00 0.00 175.10 175.31 1l3n s GLN 15 N 7.64 1.95 0.41 2.72 -2.07 0.03 -3.93 119.66 126.40 1l3n s GLN 15 Ca 0.80 -1.56 -0.20 0.00 -1.82 0.00 0.00 55.36 52.58 1l3n s GLN 15 Cb -0.13 -3.05 -0.11 0.00 -1.09 0.00 0.00 33.01 28.64 1l3n s GLN 15 CO 0.18 -0.73 0.91 0.20 -1.32 0.00 0.00 175.29 174.53 1l3n s GLY 16 N 1.05 2.39 -0.44 2.60 0.00 0.92 -1.83 107.32 112.01 1l3n s GLY 16 Ca -0.01 0.34 0.08 0.00 0.00 0.00 0.00 44.72 45.13 1l3n s GLY 16 CO -0.06 0.61 1.04 1.39 0.00 0.00 0.00 173.10 176.08 1l3n n ILE 17 N -0.55 -0.03 -2.53 0.90 5.41 -1.24 -0.90 119.36 120.42 1l3n n ILE 17 Ca 0.06 -2.22 -0.36 0.00 1.00 0.00 0.00 62.75 61.23 1l3n n ILE 17 Cb 0.54 1.07 -0.04 0.00 -0.71 0.00 0.00 39.64 40.50 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 -0.38 3.70 -0.15 1.39 -1.09 0.35 -3.81 121.20 121.21 1l3n s ILE 18 Ca 0.26 1.27 0.02 0.00 -2.23 0.00 0.00 60.65 59.97 1l3n s ILE 18 Cb 0.31 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.56 1l3n s ILE 18 CO -0.06 -0.02 -0.20 0.20 -1.23 0.00 0.00 174.94 173.63 1l3n s ASN 19 N -1.60 3.28 -0.24 3.58 0.01 0.50 -0.29 114.94 120.17 1l3n s ASN 19 Ca 0.59 -0.57 -0.07 0.00 -0.71 0.00 0.00 52.86 52.10 1l3n s ASN 19 Cb -0.22 -1.48 -0.03 0.00 0.41 0.00 0.00 41.25 39.93 1l3n s ASN 19 CO 0.27 0.07 0.06 -0.36 -1.51 0.00 0.00 177.10 175.63 1l3n s PHE 20 N 0.87 3.08 -0.16 2.20 0.40 -0.13 -1.98 117.98 122.26 1l3n s PHE 20 Ca -0.05 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 55.83 1l3n s PHE 20 Cb -0.15 -2.21 0.03 0.00 0.51 0.00 0.00 43.02 41.19 1l3n s PHE 20 CO -0.03 -0.35 -0.11 -1.21 0.70 0.00 0.00 175.22 174.22 1l3n s GLU 21 N 1.53 2.00 -0.25 0.44 8.01 0.06 -0.29 118.70 130.20 1l3n s GLU 21 Ca 0.06 -0.59 0.01 0.00 0.01 0.00 0.00 54.97 54.46 1l3n s GLU 21 Cb -0.15 -2.11 0.06 0.00 -4.31 0.00 0.00 34.13 27.62 1l3n s GLU 21 CO 0.03 -0.32 -0.06 1.14 0.01 0.00 0.00 175.26 176.06 1l3n s GLN 22 N 1.51 1.74 0.13 1.61 -2.07 0.45 -0.52 119.66 122.51 1l3n s GLN 22 Ca 0.03 -1.15 -0.21 0.00 -1.82 0.00 0.00 55.36 52.21 1l3n s GLN 22 Cb -0.14 -2.69 -0.03 0.00 -1.09 0.00 0.00 33.01 29.06 1l3n s GLN 22 CO -0.09 -0.63 1.69 0.87 -1.32 0.00 0.00 175.29 175.81 1l3n h LYS 23 N 7.89 -0.09 -5.14 9.60 1.79 -1.86 -3.40 116.57 125.36 1l3n h LYS 23 Ca -0.17 0.01 -0.45 0.00 -2.18 0.00 0.00 60.65 57.86 1l3n h LYS 23 Cb 1.06 0.02 -0.14 0.00 -1.58 0.00 0.00 32.23 31.59 1l3n h LYS 23 CO 0.43 -0.06 -0.60 -2.00 -1.08 0.00 0.00 179.45 176.14 1l3n s GLU 24 N -6.18 1.61 0.56 3.15 -6.30 -1.26 -4.88 118.70 105.40 1l3n s GLU 24 Ca -0.14 -1.90 0.35 0.00 -2.50 0.00 0.00 54.97 50.78 1l3n s GLU 24 Cb 0.10 -0.72 1.52 0.00 0.00 0.00 0.00 34.13 35.03 1l3n s GLU 24 CO 0.68 -0.23 2.03 0.66 0.02 0.00 0.00 175.26 178.43 1l3n h SER 25 N 2.16 0.00 1.39 -1.70 4.64 -1.95 -0.35 113.55 117.74 1l3n h SER 25 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 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 0.67 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 177.22 1l3n n ASN 26 N -3.05 0.81 -4.79 4.97 3.02 -1.26 -4.74 115.26 110.22 1l3n n ASN 26 Ca 0.00 0.59 -0.39 0.00 -0.03 0.00 0.00 54.58 54.75 1l3n n ASN 26 Cb 0.27 -0.80 -0.06 0.00 -0.61 0.00 0.00 39.78 38.57 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 -3.58 2.74 0.29 7.41 0.00 -0.14 -5.05 107.32 108.98 1l3n s GLY 27 Ca 0.10 0.14 -0.30 0.00 0.00 0.00 0.00 44.72 44.66 1l3n s GLY 27 CO 0.57 0.67 1.52 2.56 0.00 0.00 0.00 173.10 178.43 1l3n s PRO 28 N -0.87 4.18 -0.17 2.90 0.04 -1.26 -4.74 135.00 135.08 1l3n s PRO 28 Ca 0.32 2.47 -0.29 0.00 0.04 0.00 0.00 61.00 63.54 1l3n s PRO 28 Cb -0.20 -3.05 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 1l3n s PRO 28 CO 0.21 -0.53 1.23 0.54 0.04 0.00 0.00 177.00 178.48 1l3n s VAL 29 N -0.17 4.34 -0.45 -0.36 0.11 -0.50 -4.75 120.40 118.63 1l3n s VAL 29 Ca 0.60 1.62 -0.21 0.00 -2.93 0.00 0.00 61.98 61.06 1l3n s VAL 29 Cb -0.45 -4.05 0.03 0.00 -1.53 0.00 0.00 36.38 30.38 1l3n s VAL 29 CO 0.48 -0.13 0.66 -0.54 -3.33 0.00 0.00 175.10 172.24 1l3n s LYS 30 N 3.37 3.28 -0.79 1.54 1.02 0.33 -2.01 119.74 126.48 1l3n s LYS 30 Ca 0.53 -0.37 -0.09 0.00 0.02 0.00 0.00 55.97 56.06 1l3n s LYS 30 Cb -0.21 -3.96 0.21 0.00 -0.52 0.00 0.00 37.83 33.35 1l3n s LYS 30 CO 0.14 -1.04 0.69 0.14 -0.92 0.00 0.00 175.35 174.35 1l3n s VAL 31 N 2.88 4.94 0.49 3.17 -7.23 0.13 -0.76 120.40 124.02 1l3n s VAL 31 Ca 0.23 -2.80 0.05 0.00 -1.81 0.00 0.00 61.98 57.66 1l3n s VAL 31 Cb -0.14 -4.09 0.03 0.00 0.56 0.00 0.00 36.38 32.74 1l3n s VAL 31 CO 0.19 -1.00 0.67 -1.66 -0.31 0.00 0.00 175.10 173.00 1l3n s TRP 32 N -0.12 2.67 -3.99 2.82 -2.14 -0.84 -1.40 118.94 115.95 1l3n s TRP 32 Ca 0.19 -0.28 0.00 0.00 2.66 0.00 0.00 56.10 58.67 1l3n s TRP 32 Cb -0.13 -2.52 0.00 0.00 -3.10 0.00 0.00 33.47 27.71 1l3n s TRP 32 CO -0.07 -0.69 0.00 0.41 -2.66 0.00 0.00 176.95 173.94 1l3n n GLY 33 N -2.09 -1.29 2.77 3.67 0.00 0.22 -0.37 105.19 108.10 1l3n n GLY 33 Ca 0.09 -1.13 -0.17 0.00 0.00 0.00 0.00 46.02 44.81 1l3n n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1l3n s SER 34 N -4.00 1.53 0.04 1.61 1.04 -1.25 -0.62 113.70 112.05 1l3n s SER 34 Ca 0.00 -0.60 -0.30 0.00 0.48 0.00 0.00 55.95 55.53 1l3n s SER 34 Cb 0.00 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 1l3n s SER 34 CO 0.00 -0.37 1.03 0.27 0.98 0.00 0.00 173.24 175.15 1l3n s ILE 35 N 2.37 4.59 -0.06 -1.02 -4.36 -0.60 -4.00 121.20 118.11 1l3n s ILE 35 Ca 0.09 1.90 0.06 0.00 -0.26 0.00 0.00 60.65 62.44 1l3n s ILE 35 Cb -0.14 -4.22 -0.01 0.00 1.25 0.00 0.00 42.46 39.34 1l3n s ILE 35 CO -0.28 0.17 -0.23 -1.59 0.24 0.00 0.00 174.94 173.25 1l3n s LYS 36 N 0.84 2.55 0.00 0.37 -2.85 -0.76 -0.49 119.74 119.40 1l3n s LYS 36 Ca 0.53 -0.86 0.00 0.00 -1.00 0.00 0.00 55.97 54.64 1l3n s LYS 36 Cb -0.24 -2.21 0.00 0.00 -2.06 0.00 0.00 37.83 33.32 1l3n s LYS 36 CO 0.29 0.43 0.00 0.41 0.10 0.00 0.00 175.35 176.57 1l3n n GLY 37 N 2.84 1.15 3.49 0.59 0.00 0.53 -0.79 105.19 112.99 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 0.15 0.20 0.99 2.01 0.14 -4.26 118.68 117.91 1l3n s LEU 38 Ca 0.00 0.80 0.08 0.00 0.01 0.00 0.00 54.13 55.03 1l3n s LEU 38 Cb 0.00 -2.47 -0.04 0.00 0.01 0.00 0.00 46.19 43.69 1l3n s LEU 38 CO 0.00 -4.50 -0.03 0.28 1.01 0.00 0.00 176.35 173.12 1l3n s THR 39 N -2.72 3.51 0.86 5.49 -1.32 -1.26 -3.92 115.64 116.28 1l3n s THR 39 Ca 0.70 -1.61 -0.15 0.00 -1.21 0.00 0.00 61.69 59.42 1l3n s THR 39 Cb -0.13 -2.78 -0.02 0.00 -1.51 0.00 0.00 72.50 68.06 1l3n s THR 39 CO 0.57 -0.18 0.30 1.21 -2.21 0.00 0.00 174.62 174.31 1l3n n GLU 40 N -0.27 -0.04 0.00 7.08 0.00 -1.26 -4.61 120.64 121.54 1l3n n GLU 40 Ca -0.09 0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.10 1l3n n GLU 40 Cb 0.56 -1.73 0.00 0.00 0.00 0.00 0.00 31.44 30.28 1l3n n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1l3n n GLY 41 N 1.81 -3.08 3.81 8.31 0.00 -0.93 -4.81 105.19 110.30 1l3n n GLY 41 Ca 0.07 -2.05 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 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 3.97 -0.06 0.99 2.01 -1.26 -0.75 118.68 123.57 1l3n s LEU 42 Ca 0.00 1.79 -0.05 0.00 0.01 0.00 0.00 54.13 55.88 1l3n s LEU 42 Cb 0.00 -4.47 0.02 0.00 0.01 0.00 0.00 46.19 41.75 1l3n s LEU 42 CO 0.00 -0.45 0.16 -1.00 1.01 0.00 0.00 176.35 176.07 1l3n s HIS 43 N -2.04 -0.18 -0.37 0.29 3.76 -0.20 -2.70 115.29 113.84 1l3n s HIS 43 Ca 0.62 0.46 -0.45 0.00 -0.15 0.00 0.00 55.06 55.54 1l3n s HIS 43 Cb -0.13 0.03 -0.20 0.00 1.11 0.00 0.00 32.58 33.40 1l3n s HIS 43 CO 0.17 -0.11 1.51 0.41 -0.85 0.00 0.00 174.74 175.87 1l3n n GLY 44 N 3.28 0.18 2.70 -2.22 0.00 0.68 -2.85 105.19 106.97 1l3n n GLY 44 Ca -0.16 0.95 -0.26 0.00 0.00 0.00 0.00 46.02 46.56 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 2.45 0.64 0.31 1.61 2.19 0.41 -0.57 117.98 125.01 1l3n s PHE 45 Ca 1.01 -0.46 -0.09 0.00 0.33 0.00 0.00 56.93 57.72 1l3n s PHE 45 Cb -1.40 -0.84 0.01 0.00 -1.31 0.00 0.00 43.02 39.48 1l3n s PHE 45 CO 0.75 -0.49 0.53 -1.01 1.83 0.00 0.00 175.22 176.83 1l3n s HIS 46 N 1.99 0.59 0.02 10.12 3.76 -1.00 -0.62 115.29 130.15 1l3n s HIS 46 Ca 0.02 -0.96 -0.08 0.00 -0.15 0.00 0.00 55.06 53.89 1l3n s HIS 46 Cb -0.15 0.19 -0.05 0.00 1.11 0.00 0.00 32.58 33.68 1l3n s HIS 46 CO -0.07 -1.14 0.31 0.08 -0.85 0.00 0.00 174.74 173.06 1l3n s VAL 47 N -3.37 5.23 -0.11 -0.90 1.01 0.77 -1.13 120.40 121.90 1l3n s VAL 47 Ca 0.24 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.57 1l3n s VAL 47 Cb -0.01 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.79 1l3n s VAL 47 CO 0.14 0.39 -0.18 -1.00 0.00 0.00 0.00 175.10 174.44 1l3n s HIS 48 N -1.28 2.20 0.19 5.22 3.76 0.17 -4.56 115.29 120.99 1l3n s HIS 48 Ca 0.28 -1.02 -0.11 0.00 -0.15 0.00 0.00 55.06 54.05 1l3n s HIS 48 Cb -0.14 -1.54 0.12 0.00 1.11 0.00 0.00 32.58 32.13 1l3n s HIS 48 CO 0.15 -0.49 1.82 1.49 -0.85 0.00 0.00 174.74 176.87 1l3n h GLU 49 N 7.25 0.93 -6.04 1.40 4.57 -1.76 -1.80 114.58 119.12 1l3n h GLU 49 Ca -0.30 -0.09 -0.58 0.00 -1.18 0.00 0.00 59.36 57.21 1l3n h GLU 49 Cb 1.19 -0.19 -0.07 0.00 -0.16 0.00 0.00 28.75 29.52 1l3n h GLU 49 CO 0.50 0.68 0.69 -0.06 -1.18 0.00 0.00 179.01 179.64 1l3n s PHE 50 N -5.93 3.26 -0.29 0.92 0.08 0.34 -4.60 117.98 111.76 1l3n s PHE 50 Ca -0.13 1.24 0.16 0.00 0.12 0.00 0.00 56.93 58.32 1l3n s PHE 50 Cb 0.14 -3.33 0.86 0.00 -0.57 0.00 0.00 43.02 40.12 1l3n s PHE 50 CO 0.78 -0.55 1.46 0.41 -0.10 0.00 0.00 175.22 177.22 1l3n n GLY 51 N 3.68 -0.74 3.59 4.36 0.00 -1.24 -4.05 105.19 110.78 1l3n n GLY 51 Ca 0.10 0.15 -0.59 0.00 0.00 0.00 0.00 46.02 45.68 1l3n n GLY 51 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1l3n n ASP 52 N -2.06 0.85 -0.74 1.61 2.03 -1.26 -4.69 116.55 112.29 1l3n n ASP 52 Ca -0.01 1.15 0.02 0.00 0.52 0.00 0.00 54.79 56.47 1l3n n ASP 52 Cb 0.09 -1.00 0.03 0.00 -0.72 0.00 0.00 41.12 39.52 1l3n n ASP 52 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1l3n n ASN 53 N 2.57 0.55 -0.11 1.67 5.03 -1.26 -4.29 115.26 119.42 1l3n n ASN 53 Ca 0.22 -2.18 -0.11 0.00 0.87 0.00 0.00 54.58 53.39 1l3n n ASN 53 Cb 0.09 -0.26 -0.03 0.00 -1.02 0.00 0.00 39.78 38.56 1l3n n ASN 53 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1l3n h THR 54 N 6.13 1.27 0.00 3.41 1.35 -2.00 -2.71 112.91 120.36 1l3n h THR 54 Ca -0.06 -1.03 -0.04 0.00 -0.55 0.00 0.00 66.41 64.73 1l3n h THR 54 Cb 1.48 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 69.18 1l3n h THR 54 CO 0.03 0.33 -0.19 0.00 -0.25 0.00 0.00 175.52 175.44 1l3n h ALA 55 N 0.83 0.88 -2.61 6.62 0.00 -1.97 -3.49 119.26 119.52 1l3n h ALA 55 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1l3n h ALA 55 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1l3n h ALA 55 CO 0.02 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.92 1l3n n GLY 56 N 1.11 -0.21 4.20 0.00 0.00 -1.02 -4.37 105.19 104.91 1l3n n GLY 56 Ca 0.03 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 -4.49 0.24 1.46 0.00 -2.24 -1.26 -4.79 114.28 103.21 1l3n n THR 58 Ca -0.28 0.08 0.14 0.00 -2.27 0.00 0.00 64.05 61.72 1l3n n THR 58 Cb 0.67 -0.81 0.76 0.00 -2.10 0.00 0.00 70.33 68.85 1l3n n THR 58 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1l3n n SER 59 N -2.80 0.00 0.16 3.42 7.64 -1.26 -3.54 113.62 117.23 1l3n n SER 59 Ca 0.00 -0.27 0.08 0.00 1.01 0.00 0.00 58.87 59.69 1l3n n SER 59 Cb 0.00 -0.23 0.42 0.00 -1.01 0.00 0.00 64.21 63.39 1l3n n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1l3n n ALA 60 N -1.23 0.77 0.00 -0.43 0.00 -1.26 -4.85 120.51 113.51 1l3n n ALA 60 Ca 0.15 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1l3n n ALA 60 Cb 0.21 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.28 2.45 2.48 0.00 0.00 -1.23 -0.50 105.19 107.09 1l3n n GLY 61 Ca -0.01 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 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 1.96 2.81 -2.60 1.61 -0.04 -1.26 -4.37 135.00 133.11 1l3n n PRO 62 Ca 0.00 -1.79 -0.07 0.00 -0.04 0.00 0.00 63.50 61.60 1l3n n PRO 62 Cb 0.00 -2.60 0.04 0.00 -0.04 0.00 0.00 33.50 30.89 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 3.92 -0.92 -0.13 0.54 8.25 -1.26 -4.55 115.22 121.07 1l3n n HIS 63 Ca 0.60 0.39 0.00 0.00 -0.26 0.00 0.00 57.72 58.45 1l3n n HIS 63 Cb 0.18 -3.27 0.00 0.00 1.12 0.00 0.00 29.99 28.02 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 -2.33 0.00 -1.30 4.41 3.72 -1.26 -4.83 117.46 115.86 1l3n n PHE 64 Ca -0.12 -0.55 -0.38 0.00 -0.05 0.00 0.00 57.45 56.35 1l3n n PHE 64 Cb 0.57 -0.36 0.03 0.00 -0.94 0.00 0.00 39.48 38.77 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 1.51 -2.68 -0.08 4.37 0.23 -1.26 -4.85 115.26 112.50 1l3n n ASN 65 Ca 0.00 0.64 -0.11 0.00 -0.53 0.00 0.00 54.58 54.58 1l3n n ASN 65 Cb 0.31 -0.99 -0.05 0.00 -2.08 0.00 0.00 39.78 36.97 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 -0.04 0.40 -2.43 -0.53 0.13 -1.92 -3.25 132.00 124.35 1l3n h PRO 66 Ca -0.43 -0.12 -0.37 0.00 -0.87 0.00 0.00 66.00 64.20 1l3n h PRO 66 Cb 1.41 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.47 1l3n h PRO 66 CO 0.42 0.57 1.30 1.28 -0.23 0.00 0.00 178.00 181.35 1l3n n LEU 67 N -4.67 6.46 -4.52 1.56 4.77 -1.26 -4.92 117.00 114.42 1l3n n LEU 67 Ca -0.04 -3.57 -0.46 0.00 -0.03 0.00 0.00 56.01 51.91 1l3n n LEU 67 Cb 0.23 -1.44 -0.05 0.00 -2.33 0.00 0.00 43.42 39.83 1l3n n LEU 67 CO 0.37 1.77 1.85 -1.54 -1.33 0.00 0.00 177.39 178.51 1l3n n SER 68 N 2.96 2.63 0.00 -1.43 3.41 -1.23 -4.82 113.62 115.14 1l3n n SER 68 Ca 0.56 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 59.41 1l3n n SER 68 Cb 0.62 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 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 8.52 0.00 -3.76 4.33 1.74 -1.26 -5.14 116.66 121.10 1l3n n ARG 69 Ca 0.36 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.31 1l3n n ARG 69 Cb 0.35 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.68 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 0.72 0.42 -0.34 5.56 3.01 -1.23 -5.07 119.74 122.81 1l3n s LYS 70 Ca 0.00 0.41 -0.40 0.00 -1.01 0.00 0.00 55.97 54.97 1l3n s LYS 70 Cb 0.00 0.20 -0.15 0.00 -1.01 0.00 0.00 37.83 36.87 1l3n s LYS 70 CO 0.00 -0.06 1.87 1.58 0.51 0.00 0.00 175.35 179.25 1l3n n HIS 71 N 2.76 1.85 -0.20 3.18 -0.00 -0.32 -3.96 115.22 118.52 1l3n n HIS 71 Ca -0.14 0.56 0.00 0.00 -0.00 0.00 0.00 57.72 58.14 1l3n n HIS 71 Cb 0.58 -2.44 0.00 0.00 -0.00 0.00 0.00 29.99 28.13 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 5.02 5.57 0.00 1.57 0.00 -1.26 -3.10 105.19 112.99 1l3n n GLY 72 Ca 0.33 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 1.13 -0.85 0.25 -0.02 0.00 -1.26 -4.70 105.19 99.73 1l3n n GLY 73 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.25 -0.51 135.00 135.22 1l3n n PRO 74 Ca 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 1l3n n PRO 74 Cb 0.00 -1.10 -0.11 0.00 -0.04 0.00 0.00 33.50 32.25 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 -0.11 1.08 -4.52 0.54 4.76 -1.26 -5.07 118.16 113.57 1l3n n LYS 75 Ca 0.00 -0.08 -0.26 0.00 -2.87 0.00 0.00 58.31 55.11 1l3n n LYS 75 Cb 0.05 -1.33 -0.08 0.00 -1.84 0.00 0.00 35.03 31.83 1l3n n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1l3n s ASP 76 N -3.23 2.82 0.00 4.39 1.11 0.34 -5.03 116.67 117.08 1l3n s ASP 76 Ca 0.00 -1.65 0.22 0.00 0.18 0.00 0.00 52.55 51.30 1l3n s ASP 76 Cb 0.11 0.46 -0.18 0.00 1.07 0.00 0.00 42.92 44.38 1l3n s ASP 76 CO 0.68 -0.90 0.83 1.21 1.18 0.00 0.00 175.17 178.17 1l3n n GLU 77 N -0.91 0.22 0.14 8.23 2.13 -1.26 -4.55 120.64 124.63 1l3n n GLU 77 Ca -0.06 -0.05 0.13 0.00 0.66 0.00 0.00 57.16 57.83 1l3n n GLU 77 Cb 0.65 -1.52 0.36 0.00 0.27 0.00 0.00 31.44 31.20 1l3n n GLU 77 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1l3n h GLU 78 N 0.00 0.00 -6.09 5.31 4.39 -1.88 -3.47 114.58 112.83 1l3n h GLU 78 Ca 0.00 0.00 -0.70 0.00 0.34 0.00 0.00 59.36 59.00 1l3n h GLU 78 Cb 0.67 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 29.40 1l3n h GLU 78 CO 0.00 0.00 -0.15 0.54 -1.16 0.00 0.00 179.01 178.24 1l3n n ARG 79 N -2.50 0.31 -0.98 2.33 3.00 -1.25 -3.50 116.66 114.07 1l3n n ARG 79 Ca 0.05 0.11 -0.30 0.00 -0.01 0.00 0.00 57.85 57.70 1l3n n ARG 79 Cb 0.44 -1.38 -0.02 0.00 0.00 0.00 0.00 32.46 31.49 1l3n n ARG 79 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1l3n n HIS 80 N 0.76 1.80 -3.54 -1.55 8.25 -1.26 -4.53 115.22 115.16 1l3n n HIS 80 Ca 0.17 -2.26 -0.19 0.00 -0.26 0.00 0.00 57.72 55.18 1l3n n HIS 80 Cb 0.20 -1.91 -0.06 0.00 1.12 0.00 0.00 29.99 29.34 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 4.36 -0.51 0.00 1.59 0.31 -1.26 -4.23 118.33 118.60 1l3n n VAL 81 Ca 0.53 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 1l3n n VAL 81 Cb 0.21 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.59 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 -1.79 0.00 3.35 2.92 0.00 -1.26 -4.94 105.19 103.47 1l3n n GLY 82 Ca -0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.41 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 6.19 0.35 1.61 1.01 -1.26 -0.17 116.67 124.40 1l3n s ASP 83 Ca 0.00 -1.56 0.19 0.00 0.71 0.00 0.00 52.55 51.89 1l3n s ASP 83 Cb 0.00 -2.26 0.47 0.00 1.01 0.00 0.00 42.92 42.14 1l3n s ASP 83 CO 0.00 -0.99 1.63 -0.07 0.21 0.00 0.00 175.17 175.95 1l3n h LEU 84 N 9.48 0.00 0.00 1.23 3.38 -1.38 -3.34 115.31 124.67 1l3n h LEU 84 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1l3n h LEU 84 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1l3n h LEU 84 CO 1.06 0.38 0.00 0.61 0.09 0.00 0.00 178.44 180.58 1l3n n GLY 85 N 0.67 1.19 3.05 0.83 0.00 0.21 -4.37 105.19 106.77 1l3n n GLY 85 Ca 0.01 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 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 1.67 0.05 1.61 0.02 -1.26 -0.44 114.94 112.59 1l3n s ASN 86 Ca 0.00 -0.27 0.07 0.00 -1.02 0.00 0.00 52.86 51.64 1l3n s ASN 86 Cb 0.00 -0.57 -0.03 0.00 0.02 0.00 0.00 41.25 40.68 1l3n s ASN 86 CO 0.00 0.08 -0.20 0.68 0.02 0.00 0.00 177.10 177.67 1l3n s VAL 87 N 0.31 1.65 -0.22 1.60 -7.23 -1.13 -4.90 120.40 110.48 1l3n s VAL 87 Ca -0.07 -1.23 -0.12 0.00 -1.81 0.00 0.00 61.98 58.75 1l3n s VAL 87 Cb -0.12 -1.45 -0.05 0.00 0.56 0.00 0.00 36.38 35.33 1l3n s VAL 87 CO 0.02 0.17 0.22 0.28 -0.31 0.00 0.00 175.10 175.48 1l3n s THR 88 N -0.84 5.33 -0.04 5.32 -1.32 -1.26 -1.03 115.64 121.79 1l3n s THR 88 Ca 0.07 0.33 -0.19 0.00 -1.21 0.00 0.00 61.69 60.69 1l3n s THR 88 Cb -0.09 -3.56 -0.05 0.00 -1.51 0.00 0.00 72.50 67.29 1l3n s THR 88 CO 0.02 0.34 0.53 0.00 -2.21 0.00 0.00 174.62 173.30 1l3n s ALA 89 N 0.97 3.52 1.13 11.08 0.00 0.07 -3.93 121.76 134.60 1l3n s ALA 89 Ca 0.11 -0.08 -0.15 0.00 0.00 0.00 0.00 51.96 51.84 1l3n s ALA 89 Cb -0.13 -2.65 0.25 0.00 0.00 0.00 0.00 23.12 20.59 1l3n s ALA 89 CO 0.04 0.18 1.07 0.34 0.00 0.00 0.00 175.76 177.39 1l3n s ASP 90 N -0.12 1.46 0.50 0.00 2.15 0.30 -2.19 116.67 118.77 1l3n s ASP 90 Ca 0.28 1.08 0.32 0.00 0.43 0.00 0.00 52.55 54.66 1l3n s ASP 90 Cb -0.17 -1.66 1.43 0.00 -0.30 0.00 0.00 42.92 42.22 1l3n s ASP 90 CO 0.14 -3.84 1.77 0.07 -0.17 0.00 0.00 175.17 173.14 1l3n h LYS 91 N -2.38 0.11 0.00 4.34 2.10 -1.95 0.17 116.57 118.95 1l3n h LYS 91 Ca -0.54 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.11 1l3n h LYS 91 Cb 1.33 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1l3n h LYS 91 CO 0.49 0.07 0.00 -3.47 -2.00 0.00 0.00 179.45 174.54 1l3n n ASP 92 N -4.33 0.22 0.00 7.07 2.03 -1.26 -4.79 116.55 115.50 1l3n n ASP 92 Ca 0.27 0.52 0.00 0.00 0.52 0.00 0.00 54.79 56.11 1l3n n ASP 92 Cb 1.20 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 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 1.26 0.55 3.51 0.27 0.00 0.58 -4.55 105.19 106.81 1l3n n GLY 93 Ca 0.06 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 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 5.01 -0.25 1.61 1.01 -1.26 -0.35 120.40 124.18 1l3n s VAL 94 Ca 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.81 1l3n s VAL 94 Cb 0.00 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1l3n s VAL 94 CO 0.00 -0.42 0.07 0.00 0.00 0.00 0.00 175.10 174.76 1l3n s ALA 95 N 2.35 3.17 0.04 5.51 0.00 0.36 -0.54 121.76 132.66 1l3n s ALA 95 Ca 0.16 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 50.70 1l3n s ALA 95 Cb -0.16 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 1l3n s ALA 95 CO 0.15 -0.47 1.03 0.16 0.00 0.00 0.00 175.76 176.62 1l3n s ASP 96 N 1.59 7.32 -0.08 0.00 -4.77 -1.25 -1.56 116.67 117.91 1l3n s ASP 96 Ca 0.06 1.78 0.04 0.00 -3.30 0.00 0.00 52.55 51.13 1l3n s ASP 96 Cb -0.15 -2.58 -0.01 0.00 -1.09 0.00 0.00 42.92 39.09 1l3n s ASP 96 CO 0.04 -0.27 -0.20 -0.69 0.70 0.00 0.00 175.17 174.75 1l3n s VAL 97 N 0.79 2.47 -0.48 2.11 1.01 0.21 -4.60 120.40 121.91 1l3n s VAL 97 Ca 0.52 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.67 1l3n s VAL 97 Cb -0.24 -1.96 0.24 0.00 0.00 0.00 0.00 36.38 34.43 1l3n s VAL 97 CO 0.29 0.56 0.84 -1.54 0.00 0.00 0.00 175.10 175.25 1l3n n SER 98 N 3.08 -2.54 -4.92 3.32 3.41 -1.25 -0.61 113.62 114.10 1l3n n SER 98 Ca -0.18 -3.21 -0.28 0.00 -0.26 0.00 0.00 58.87 54.94 1l3n n SER 98 Cb 0.52 1.52 -0.04 0.00 -0.26 0.00 0.00 64.21 65.96 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 0.47 5.28 -0.05 -1.33 1.09 -0.49 -4.92 121.20 121.25 1l3n s ILE 99 Ca 0.32 -0.61 -0.01 0.00 -1.10 0.00 0.00 60.65 59.25 1l3n s ILE 99 Cb 0.21 -3.67 0.03 0.00 -1.06 0.00 0.00 42.46 37.97 1l3n s ILE 99 CO -0.23 -0.01 0.02 -1.83 -0.10 0.00 0.00 174.94 172.79 1l3n s GLU 100 N -2.97 0.34 0.12 2.79 -1.05 -1.26 0.18 118.70 116.85 1l3n s GLU 100 Ca 0.34 0.17 0.07 0.00 -0.15 0.00 0.00 54.97 55.39 1l3n s GLU 100 Cb -0.12 -0.70 -0.04 0.00 -0.44 0.00 0.00 34.13 32.84 1l3n s GLU 100 CO 0.28 -0.25 -0.15 0.34 0.95 0.00 0.00 175.26 176.42 1l3n s ASP 101 N 1.71 2.15 -0.43 0.83 2.15 -0.85 -4.98 116.67 117.25 1l3n s ASP 101 Ca 0.00 -0.79 0.05 0.00 0.43 0.00 0.00 52.55 52.24 1l3n s ASP 101 Cb -0.13 -0.09 0.43 0.00 -0.30 0.00 0.00 42.92 42.83 1l3n s ASP 101 CO -0.03 -0.10 1.25 -0.24 -0.17 0.00 0.00 175.17 175.88 1l3n n SER 102 N 0.59 5.15 0.00 -0.34 2.88 -1.26 -1.41 113.62 119.23 1l3n n SER 102 Ca -0.16 -3.74 0.00 0.00 -1.33 0.00 0.00 58.87 53.64 1l3n n SER 102 Cb 0.56 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1l3n n SER 102 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1l3n n VAL 103 N -0.58 0.00 -1.70 2.46 3.14 -1.26 -5.04 118.33 115.35 1l3n n VAL 103 Ca 0.43 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 61.40 1l3n n VAL 103 Cb 0.73 -0.06 0.01 0.00 -1.06 0.00 0.00 33.84 33.45 1l3n n VAL 103 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1l3n n ILE 104 N -2.11 2.46 -3.67 1.55 2.08 -1.26 -4.89 119.36 113.51 1l3n n ILE 104 Ca 0.00 -0.50 -0.11 0.00 0.56 0.00 0.00 62.75 62.70 1l3n n ILE 104 Cb 0.00 -1.54 -0.09 0.00 -0.75 0.00 0.00 39.64 37.26 1l3n n ILE 104 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 1l3n s SER 105 N -0.51 -0.67 0.17 4.38 0.01 -1.26 -4.39 113.70 111.42 1l3n s SER 105 Ca 0.60 1.17 -0.24 0.00 1.31 0.00 0.00 55.95 58.79 1l3n s SER 105 Cb -0.52 1.10 0.05 0.00 0.21 0.00 0.00 66.02 66.86 1l3n s SER 105 CO 0.59 -0.21 1.59 -0.07 0.41 0.00 0.00 173.24 175.54 1l3n h LEU 106 N 6.36 -1.22 -8.47 2.44 3.38 -1.92 0.74 115.31 116.61 1l3n h LEU 106 Ca -0.31 0.21 -0.40 0.00 0.09 0.00 0.00 57.88 57.47 1l3n h LEU 106 Cb 1.19 0.56 -0.20 0.00 0.09 0.00 0.00 40.66 42.31 1l3n h LEU 106 CO 0.20 -0.33 -0.76 -0.55 0.09 0.00 0.00 178.44 177.08 1l3n s SER 107 N -5.09 1.72 0.00 -0.43 0.15 -1.26 -1.13 113.70 107.66 1l3n s SER 107 Ca -0.15 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 55.80 1l3n s SER 107 Cb 0.13 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1l3n s SER 107 CO 0.67 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.59 1l3n n GLY 108 N 0.94 -1.30 1.81 9.45 0.00 -1.26 -4.77 105.19 110.06 1l3n n GLY 108 Ca -0.19 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1l3n n GLY 108 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1l3n n ASP 109 N 0.00 0.02 0.09 1.61 -0.08 -1.26 -4.85 116.55 112.08 1l3n n ASP 109 Ca 0.00 0.15 -0.06 0.00 -1.51 0.00 0.00 54.79 53.37 1l3n n ASP 109 Cb 0.00 0.10 -0.00 0.00 2.34 0.00 0.00 41.12 43.56 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 0.12 -6.25 -0.67 3.86 -1.90 -3.48 115.15 106.84 1l3n h HIS 110 Ca 0.00 -0.07 -0.39 0.00 -1.16 0.00 0.00 60.37 58.75 1l3n h HIS 110 Cb 0.12 -0.01 0.05 0.00 1.06 0.00 0.00 27.41 28.63 1l3n h HIS 110 CO 0.00 0.89 -0.84 0.45 0.86 0.00 0.00 177.93 179.30 1l3n n SER 111 N -3.59 -5.54 0.29 2.45 2.88 -1.19 -4.84 113.62 104.07 1l3n n SER 111 Ca -0.02 -0.89 0.20 0.00 -1.33 0.00 0.00 58.87 56.83 1l3n n SER 111 Cb 0.81 -3.23 1.02 0.00 -0.75 0.00 0.00 64.21 62.05 1l3n n SER 111 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1l3n h ILE 112 N -1.30 0.00 -2.05 2.46 6.09 -0.26 -3.43 117.51 119.02 1l3n h ILE 112 Ca -0.57 -0.06 -0.64 0.00 -1.37 0.00 0.00 64.86 62.22 1l3n h ILE 112 Cb 1.32 0.95 0.09 0.00 0.47 0.00 0.00 36.82 39.64 1l3n h ILE 112 CO 0.44 0.00 0.23 -0.38 -3.07 0.00 0.00 178.15 175.36 1l3n n ILE 113 N -2.89 1.16 -1.01 2.19 2.08 -0.29 -2.39 119.36 118.21 1l3n n ILE 113 Ca -0.02 -0.29 -0.01 0.00 0.56 0.00 0.00 62.75 62.99 1l3n n ILE 113 Cb 0.09 -0.88 -0.00 0.00 -0.75 0.00 0.00 39.64 38.11 1l3n n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1l3n n GLY 114 N 1.85 0.47 3.94 7.39 0.00 -1.26 -5.03 105.19 112.55 1l3n n GLY 114 Ca 0.14 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.96 1.35 -0.22 1.61 1.81 -1.00 -3.73 118.95 117.80 1l3n s ARG 115 Ca 0.00 -0.49 -0.06 0.00 -1.72 0.00 0.00 55.73 53.46 1l3n s ARG 115 Cb 0.00 -2.04 -0.02 0.00 -0.45 0.00 0.00 34.95 32.44 1l3n s ARG 115 CO 0.00 -1.85 0.02 0.99 -0.68 0.00 0.00 175.30 173.77 1l3n s THR 116 N -3.54 3.96 0.02 0.02 2.01 -0.68 -3.72 115.64 113.72 1l3n s THR 116 Ca 0.68 -0.30 -0.02 0.00 0.31 0.00 0.00 61.69 62.36 1l3n s THR 116 Cb -0.06 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1l3n s THR 116 CO 0.49 0.40 0.21 -0.76 -0.69 0.00 0.00 174.62 174.27 1l3n s LEU 117 N 1.29 4.36 -0.03 4.42 1.02 0.46 0.42 118.68 130.62 1l3n s LEU 117 Ca 0.04 0.36 0.03 0.00 0.02 0.00 0.00 54.13 54.58 1l3n s LEU 117 Cb -0.15 -2.76 0.00 0.00 0.02 0.00 0.00 46.19 43.31 1l3n s LEU 117 CO 0.01 0.22 -0.10 -0.69 0.02 0.00 0.00 176.35 175.81 1l3n s VAL 118 N -1.39 0.89 -0.18 -1.59 1.01 -0.28 -0.99 120.40 117.87 1l3n s VAL 118 Ca 0.30 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 1l3n s VAL 118 Cb -0.13 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 1l3n s VAL 118 CO 0.21 0.27 0.04 0.54 0.00 0.00 0.00 175.10 176.17 1l3n s VAL 119 N 0.15 4.61 0.24 2.92 0.11 0.00 -2.37 120.40 126.06 1l3n s VAL 119 Ca -0.03 -0.10 0.09 0.00 -2.93 0.00 0.00 61.98 59.01 1l3n s VAL 119 Cb -0.09 -3.07 -0.04 0.00 -1.53 0.00 0.00 36.38 31.65 1l3n s VAL 119 CO 0.01 0.47 0.04 -1.00 -3.33 0.00 0.00 175.10 171.28 1l3n s HIS 120 N 0.39 2.81 0.12 1.54 3.76 0.26 -2.41 115.29 121.76 1l3n s HIS 120 Ca 0.02 -0.18 -0.32 0.00 -0.15 0.00 0.00 55.06 54.43 1l3n s HIS 120 Cb -0.13 -1.27 -0.11 0.00 1.11 0.00 0.00 32.58 32.18 1l3n s HIS 120 CO 0.01 0.58 1.52 1.49 -0.85 0.00 0.00 174.74 177.49 1l3n h GLU 121 N 1.98 -0.40 -5.96 1.40 4.81 -0.80 -3.35 114.58 112.26 1l3n h GLU 121 Ca -0.46 0.03 -0.60 0.00 -0.13 0.00 0.00 59.36 58.20 1l3n h GLU 121 Cb 1.24 0.09 -0.12 0.00 0.63 0.00 0.00 28.75 30.59 1l3n h GLU 121 CO 0.60 -0.27 -0.62 0.15 -0.73 0.00 0.00 179.01 178.14 1l3n s LYS 122 N -5.52 2.01 0.33 1.92 1.02 0.33 -4.86 119.74 114.97 1l3n s LYS 122 Ca -0.14 -1.83 -0.28 0.00 0.02 0.00 0.00 55.97 53.74 1l3n s LYS 122 Cb 0.08 -1.85 -0.10 0.00 -0.52 0.00 0.00 37.83 35.44 1l3n s LYS 122 CO 0.58 0.11 1.23 0.00 -0.92 0.00 0.00 175.35 176.35 1l3n s ALA 123 N -2.56 3.40 0.53 5.17 0.00 -1.10 -0.23 121.76 126.97 1l3n s ALA 123 Ca 0.35 1.12 -0.17 0.00 0.00 0.00 0.00 51.96 53.25 1l3n s ALA 123 Cb 0.02 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 1l3n s ALA 123 CO 0.19 -0.50 1.01 0.16 0.00 0.00 0.00 175.76 176.61 1l3n s ASP 124 N -0.71 6.40 0.00 0.00 1.47 -1.26 -4.08 116.67 118.50 1l3n s ASP 124 Ca 0.49 1.68 0.00 0.00 1.18 0.00 0.00 52.55 55.90 1l3n s ASP 124 Cb -0.36 -2.52 0.00 0.00 -0.34 0.00 0.00 42.92 39.70 1l3n s ASP 124 CO 0.47 -0.74 0.90 0.47 0.68 0.00 0.00 175.17 176.95 1l3n n ASP 125 N -1.57 0.07 -4.20 2.11 8.00 0.71 -4.86 116.55 116.81 1l3n n ASP 125 Ca 0.07 -1.86 -0.32 0.00 0.71 0.00 0.00 54.79 53.40 1l3n n ASP 125 Cb 0.54 -0.03 -0.08 0.00 -0.02 0.00 0.00 41.12 41.52 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 -0.46 -0.80 0.00 0.64 4.77 -1.26 -0.93 117.00 118.96 1l3n n LEU 126 Ca 0.00 -1.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 1l3n n LEU 126 Cb 0.02 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.60 1l3n n LEU 126 CO 0.00 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1l3n n GLY 127 N -2.45 3.04 0.30 -0.72 0.00 -1.18 -4.57 105.19 99.62 1l3n n GLY 127 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.48 0.94 0.10 1.61 5.02 -0.11 -3.11 118.16 122.13 1l3n n LYS 128 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 1l3n n LYS 128 Cb 0.00 -1.28 0.32 0.00 -0.02 0.00 0.00 35.03 34.05 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 5.11 0.28 -1.73 0.72 0.00 -1.86 -3.48 103.07 102.12 1l3n h GLY 129 Ca 0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 47.33 46.92 1l3n h GLY 129 CO 0.00 0.19 -0.28 0.61 0.00 0.00 0.00 176.54 177.06 1l3n n GLY 130 N -0.63 -0.04 3.49 4.60 0.00 -1.18 -4.95 105.19 106.48 1l3n n GLY 130 Ca -0.01 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.59 2.63 0.09 1.61 0.01 -1.26 -5.00 114.94 110.42 1l3n s ASN 131 Ca 0.03 -1.61 -0.25 0.00 -0.71 0.00 0.00 52.86 50.33 1l3n s ASN 131 Cb -0.01 0.39 -0.14 0.00 0.41 0.00 0.00 41.25 41.89 1l3n s ASN 131 CO 0.04 -0.87 1.71 -0.08 -1.51 0.00 0.00 177.10 176.40 1l3n h GLU 132 N 1.88 -0.16 -0.75 -0.60 4.22 -1.99 -1.82 114.58 115.35 1l3n h GLU 132 Ca -0.36 0.01 0.12 0.00 0.08 0.00 0.00 59.36 59.21 1l3n h GLU 132 Cb 1.27 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.47 1l3n h GLU 132 CO 0.59 -0.11 0.35 1.49 -2.18 0.00 0.00 179.01 179.15 1l3n h GLU 133 N -0.17 0.53 -0.56 1.92 4.57 -1.98 -2.23 114.58 116.66 1l3n h GLU 133 Ca -0.01 -0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.23 1l3n h GLU 133 Cb 0.15 -0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 28.55 1l3n h GLU 133 CO 0.00 0.35 0.16 0.77 -1.18 0.00 0.00 179.01 179.11 1l3n h SER 134 N 0.54 0.11 0.05 1.04 0.02 -1.65 0.22 113.55 113.87 1l3n h SER 134 Ca 0.39 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1l3n h SER 134 Cb 0.52 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1l3n h SER 134 CO -0.34 0.08 0.00 1.07 -1.14 0.00 0.00 176.83 176.50 1l3n n THR 135 N -5.06 0.01 0.00 -2.27 5.66 -0.86 -2.63 114.28 109.14 1l3n n THR 135 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1l3n n THR 135 Cb 0.26 -0.56 0.00 0.00 -1.55 0.00 0.00 70.33 68.48 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 -1.03 0.00 -0.34 1.09 5.02 0.46 -1.18 118.16 122.18 1l3n n LYS 136 Ca 0.20 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.58 1l3n n LYS 136 Cb 0.11 0.00 0.25 0.00 -0.02 0.00 0.00 35.03 35.37 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 -0.91 1.28 -1.02 -0.18 -2.24 0.46 -4.56 114.28 107.11 1l3n n THR 137 Ca 0.00 -1.12 -0.01 0.00 -2.27 0.00 0.00 64.05 60.65 1l3n n THR 137 Cb 0.00 0.36 -0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 0.85 0.37 2.34 3.38 0.00 -0.05 -2.60 105.19 109.48 1l3n n GLY 138 Ca 0.19 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.26 -4.64 0.06 1.61 4.13 -1.26 -0.20 115.26 114.70 1l3n n ASN 139 Ca -0.01 0.13 0.04 0.00 1.68 0.00 0.00 54.58 56.43 1l3n n ASN 139 Cb 0.18 -3.67 0.23 0.00 -1.54 0.00 0.00 39.78 34.98 1l3n n ASN 139 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1l3n n ALA 140 N -0.63 1.05 0.00 5.41 0.00 -1.07 -4.63 120.51 120.64 1l3n n ALA 140 Ca -0.17 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1l3n n ALA 140 Cb 0.58 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.34 0.33 3.65 0.00 0.00 -1.26 -0.51 105.19 106.05 1l3n n GLY 141 Ca -0.00 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 1l3n n GLY 141 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1l3n s SER 142 N -4.00 6.67 -0.62 1.61 0.01 -1.26 -4.78 113.70 111.33 1l3n s SER 142 Ca 0.00 1.83 -0.25 0.00 1.31 0.00 0.00 55.95 58.85 1l3n s SER 142 Cb 0.00 -2.53 -0.25 0.00 0.21 0.00 0.00 66.02 63.44 1l3n s SER 142 CO 0.00 -0.98 1.79 0.54 0.41 0.00 0.00 173.24 175.00 1l3n n ARG 143 N 7.14 0.05 -0.34 12.44 3.00 -1.26 -0.36 116.66 137.33 1l3n n ARG 143 Ca 0.17 -1.28 0.10 0.00 -0.01 0.00 0.00 57.85 56.83 1l3n n ARG 143 Cb 0.44 -3.14 0.27 0.00 0.00 0.00 0.00 32.46 30.04 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 19.42 0.72 -7.00 0.55 3.38 -1.82 -3.45 115.31 127.12 1l3n h LEU 144 Ca 0.08 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1l3n h LEU 144 Cb 0.89 -0.04 -0.15 0.00 0.09 0.00 0.00 40.66 41.44 1l3n h LEU 144 CO 1.29 0.29 0.20 0.00 0.09 0.00 0.00 178.44 180.32 1l3n s ALA 145 N -5.91 -1.68 0.09 1.53 0.00 -1.01 -2.96 121.76 111.81 1l3n s ALA 145 Ca -0.12 0.90 -0.27 0.00 0.00 0.00 0.00 51.96 52.48 1l3n s ALA 145 Cb 0.23 0.45 0.08 0.00 0.00 0.00 0.00 23.12 23.89 1l3n s ALA 145 CO 0.80 -0.57 0.94 0.00 0.00 0.00 0.00 175.76 176.93 1l3n s GLY 147 N -2.77 -0.10 0.20 0.00 0.00 -0.16 -0.73 107.32 103.76 1l3n s GLY 147 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 44.72 44.89 1l3n s GLY 147 CO -0.02 5.17 0.06 0.14 0.00 0.00 0.00 173.10 178.44 1l3n s VAL 148 N -2.05 3.96 0.00 1.40 1.01 -1.26 -0.40 120.40 123.07 1l3n s VAL 148 Ca 0.28 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.85 1l3n s VAL 148 Cb -0.01 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1l3n s VAL 148 CO -0.00 -0.18 0.00 -0.38 0.00 0.00 0.00 175.10 174.54 1l3n n ILE 149 N -0.43 0.00 0.00 2.22 5.41 -1.24 -3.90 119.36 121.41 1l3n n ILE 149 Ca -0.09 0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1l3n n ILE 149 Cb 0.56 -0.29 0.00 0.00 -0.71 0.00 0.00 39.64 39.19 1l3n n ILE 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1l3n n GLY 150 N 2.72 2.44 3.76 7.39 0.00 -1.20 -4.07 105.19 116.24 1l3n n GLY 150 Ca 0.00 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 1l3n n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1l3n s ILE 151 N -0.08 3.28 0.00 -0.61 1.01 -1.26 -2.12 121.20 121.42 1l3n s ILE 151 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 60.65 61.88 1l3n s ILE 151 Cb 0.00 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1l3n s ILE 151 CO 0.00 0.24 0.00 0.00 0.00 0.00 0.00 174.94 175.18 1l3n n ALA 152 N 0.80 0.00 0.00 9.38 0.00 -1.19 -4.83 120.51 124.67 1l3n n ALA 152 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1l3n n ALA 152 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1l3n n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44