#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3h s GLU 2 N 0.00 1.49 -0.01 0.38 4.04 -1.26 -5.15 118.70 118.18 1u3h s GLU 2 Ca 0.00 -1.73 -0.09 0.00 0.04 0.00 0.00 54.97 53.19 1u3h s GLU 2 Cb 0.00 -1.14 0.03 0.00 0.02 0.00 0.00 34.13 33.04 1u3h s GLU 2 CO 0.00 0.08 0.40 0.00 -1.84 0.00 0.00 175.26 173.90 1u3h n ALA 3 N -0.53 -1.14 -0.02 -0.84 0.00 -1.26 -5.01 120.51 111.72 1u3h n ALA 3 Ca -0.06 -0.24 0.06 0.00 0.00 0.00 0.00 53.44 53.20 1u3h n ALA 3 Cb 0.63 0.03 -0.14 0.00 0.00 0.00 0.00 19.45 19.97 1u3h n ALA 3 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1u3h n ASP 4 N -0.40 0.92 -3.75 0.00 9.92 -1.26 -4.98 116.55 117.01 1u3h n ASP 4 Ca 0.02 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.14 1u3h n ASP 4 Cb 0.18 1.66 -0.09 0.00 -0.64 0.00 0.00 41.12 42.23 1u3h n ASP 4 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 1u3h s HIS 5 N -3.10 -0.24 -0.05 1.24 3.76 -1.26 -5.08 115.29 110.56 1u3h s HIS 5 Ca -0.07 0.43 0.00 0.00 -0.15 0.00 0.00 55.06 55.28 1u3h s HIS 5 Cb 0.10 0.11 0.02 0.00 1.11 0.00 0.00 32.58 33.93 1u3h s HIS 5 CO 0.73 -0.36 -0.02 0.08 -0.85 0.00 0.00 174.74 174.32 1u3h s VAL 6 N -1.02 0.44 -0.06 -0.90 1.01 -1.26 -5.00 120.40 113.61 1u3h s VAL 6 Ca -0.11 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 61.90 1u3h s VAL 6 Cb -0.05 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 1u3h s VAL 6 CO 0.04 0.23 -0.22 -0.83 0.00 0.00 0.00 175.10 174.31 1u3h s GLY 7 N 1.25 1.35 -0.37 4.51 0.00 -1.26 -0.38 107.32 112.43 1u3h s GLY 7 Ca -0.06 -1.03 0.04 0.00 0.00 0.00 0.00 44.72 43.67 1u3h s GLY 7 CO -0.02 -0.65 0.09 -0.56 0.00 0.00 0.00 173.10 171.96 1u3h s SER 8 N -0.24 4.63 -1.09 1.64 0.01 0.30 -4.99 113.70 113.96 1u3h s SER 8 Ca -0.01 -2.27 -0.08 0.00 1.31 0.00 0.00 55.95 54.90 1u3h s SER 8 Cb -0.13 -1.57 0.27 0.00 0.21 0.00 0.00 66.02 64.80 1u3h s SER 8 CO 0.03 -0.36 1.09 -1.22 0.41 0.00 0.00 173.24 173.20 1u3h n TYR 9 N 4.09 5.01 0.00 2.43 4.01 -1.26 -0.83 117.16 130.61 1u3h n TYR 9 Ca 0.04 -3.89 0.00 0.00 -0.16 0.00 0.00 57.90 53.89 1u3h n TYR 9 Cb 0.40 -1.61 0.00 0.00 -0.31 0.00 0.00 39.34 37.82 1u3h n TYR 9 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u3h n GLY 9 N 2.55 0.96 3.69 2.72 0.00 -1.14 -5.04 105.19 108.92 1u3h n GLY 9 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1u3h n GLY 9 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u3h s ILE 10 N -1.24 3.09 -0.11 -0.61 1.01 -0.56 -4.87 121.20 117.91 1u3h s ILE 10 Ca 0.00 0.49 0.02 0.00 0.00 0.00 0.00 60.65 61.16 1u3h s ILE 10 Cb 0.00 -3.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.14 1u3h s ILE 10 CO 0.00 -0.01 -0.17 -0.69 0.00 0.00 0.00 174.94 174.07 1u3h s VAL 11 N 2.84 2.67 -0.22 2.92 1.01 -1.26 -1.97 120.40 126.39 1u3h s VAL 11 Ca 0.74 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 1u3h s VAL 11 Cb -0.39 -2.08 0.06 0.00 0.00 0.00 0.00 36.38 33.97 1u3h s VAL 11 CO 0.32 0.54 0.00 -0.69 0.00 0.00 0.00 175.10 175.28 1u3h s VAL 12 N 0.27 0.99 -0.12 2.92 1.01 -0.29 -4.99 120.40 120.19 1u3h s VAL 12 Ca -0.12 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1u3h s VAL 12 Cb -0.16 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.82 1u3h s VAL 12 CO 0.07 -0.20 -0.18 -0.47 0.00 0.00 0.00 175.10 174.32 1u3h s TYR 13 N 1.64 2.27 0.11 5.22 5.04 -1.26 -0.68 117.35 129.68 1u3h s TYR 13 Ca -0.02 -1.09 0.04 0.00 -2.44 0.00 0.00 57.07 53.55 1u3h s TYR 13 Cb -0.18 -1.59 -0.04 0.00 0.35 0.00 0.00 41.96 40.51 1u3h s TYR 13 CO -0.08 -0.53 -0.10 1.14 -1.34 0.00 0.00 175.55 174.64 1u3h s GLN 14 N 0.88 0.89 0.05 4.97 -2.07 0.19 -4.97 119.66 119.61 1u3h s GLN 14 Ca -0.08 -1.22 -0.01 0.00 -1.82 0.00 0.00 55.36 52.24 1u3h s GLN 14 Cb -0.15 -0.55 -0.04 0.00 -1.09 0.00 0.00 33.01 31.17 1u3h s GLN 14 CO -0.01 0.08 -0.03 -1.54 -1.32 0.00 0.00 175.29 172.47 1u3h s SER 15 N -2.60 0.55 1.01 12.60 1.04 -1.26 -0.09 113.70 124.95 1u3h s SER 15 Ca 0.08 -1.00 -0.12 0.00 0.48 0.00 0.00 55.95 55.39 1u3h s SER 15 Cb -0.02 0.19 0.19 0.00 0.10 0.00 0.00 66.02 66.49 1u3h s SER 15 CO 0.00 -0.58 1.08 -2.16 0.98 0.00 0.00 173.24 172.56 1u3h s PRO 16 N -3.89 0.34 0.00 4.02 0.04 -1.26 -4.96 135.00 129.29 1u3h s PRO 16 Ca 0.07 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1u3h s PRO 16 Cb 0.08 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.90 1u3h s PRO 16 CO -0.09 -2.83 0.00 0.41 0.04 0.00 0.00 177.00 174.52 1u3h n GLY 17 N -0.68 1.74 3.83 0.56 0.00 -1.26 -4.55 105.19 104.82 1u3h n GLY 17 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1u3h n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u3h n ASP 18 N 0.00 -2.74 -4.71 1.61 8.00 -1.05 -4.90 116.55 112.75 1u3h n ASP 18 Ca 0.00 -1.02 -0.38 0.00 0.71 0.00 0.00 54.79 54.10 1u3h n ASP 18 Cb 0.00 -3.17 -0.06 0.00 -0.02 0.00 0.00 41.12 37.87 1u3h n ASP 18 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1u3h s ILE 19 N -3.71 5.14 0.18 0.53 1.01 0.88 -4.90 121.20 120.34 1u3h s ILE 19 Ca 0.24 1.07 0.02 0.00 0.00 0.00 0.00 60.65 61.97 1u3h s ILE 19 Cb -0.09 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 1u3h s ILE 19 CO 0.88 0.28 0.01 -0.83 0.00 0.00 0.00 174.94 175.28 1u3h s GLY 20 N 0.75 1.27 -0.19 6.18 0.00 -1.26 0.56 107.32 114.64 1u3h s GLY 20 Ca 0.28 -1.62 -0.10 0.00 0.00 0.00 0.00 44.72 43.28 1u3h s GLY 20 CO 0.12 -1.54 0.46 1.62 0.00 0.00 0.00 173.10 173.76 1u3h s GLN 21 N -3.92 0.45 -0.12 2.90 0.74 0.14 -4.98 119.66 114.86 1u3h s GLN 21 Ca 0.25 0.86 0.01 0.00 0.05 0.00 0.00 55.36 56.53 1u3h s GLN 21 Cb 0.06 0.01 0.02 0.00 1.10 0.00 0.00 33.01 34.20 1u3h s GLN 21 CO 0.05 -0.16 -0.14 -0.47 -0.55 0.00 0.00 175.29 174.03 1u3h s TYR 22 N 1.42 1.96 0.16 1.67 5.04 -1.26 -1.14 117.35 125.20 1u3h s TYR 22 Ca -0.09 -1.00 -0.00 0.00 -2.44 0.00 0.00 57.07 53.54 1u3h s TYR 22 Cb -0.08 -1.45 -0.04 0.00 0.35 0.00 0.00 41.96 40.74 1u3h s TYR 22 CO -0.14 -0.55 0.06 0.95 -1.34 0.00 0.00 175.55 174.54 1u3h s THR 23 N 1.27 0.21 -0.10 4.34 -4.23 -0.83 -1.49 115.64 114.80 1u3h s THR 23 Ca -0.01 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 58.57 1u3h s THR 23 Cb -0.14 -2.17 0.02 0.00 1.34 0.00 0.00 72.50 71.55 1u3h s THR 23 CO -0.06 -0.36 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.20 1u3h s PHE 24 N -3.98 1.58 0.14 3.99 0.40 -0.72 -1.49 117.98 117.89 1u3h s PHE 24 Ca 0.27 -0.74 0.10 0.00 -0.60 0.00 0.00 56.93 55.97 1u3h s PHE 24 Cb 0.07 -1.23 -0.04 0.00 0.51 0.00 0.00 43.02 42.33 1u3h s PHE 24 CO 0.05 -0.45 -0.23 -1.21 0.70 0.00 0.00 175.22 174.07 1u3h s GLU 25 N 1.31 1.56 -0.09 0.44 2.02 -0.01 -0.23 118.70 123.70 1u3h s GLU 25 Ca -0.02 -1.32 -0.04 0.00 0.02 0.00 0.00 54.97 53.62 1u3h s GLU 25 Cb -0.14 -1.97 0.05 0.00 0.10 0.00 0.00 34.13 32.17 1u3h s GLU 25 CO -0.04 0.45 0.17 0.12 0.02 0.00 0.00 175.26 175.98 1u3h s PHE 26 N -1.20 -0.21 -1.48 1.61 5.36 -0.43 -0.54 117.98 121.09 1u3h s PHE 26 Ca 0.17 0.66 -0.11 0.00 -0.96 0.00 0.00 56.93 56.68 1u3h s PHE 26 Cb -0.10 -0.22 0.07 0.00 -0.34 0.00 0.00 43.02 42.43 1u3h s PHE 26 CO 0.08 -0.28 0.96 -0.25 -1.46 0.00 0.00 175.22 174.28 1u3h n ASP 27 N 5.28 -4.41 0.00 6.13 8.00 0.49 -1.79 116.55 130.25 1u3h n ASP 27 Ca -0.06 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.68 1u3h n ASP 27 Cb 0.50 -4.02 0.00 0.00 -0.02 0.00 0.00 41.12 37.58 1u3h n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u3h n GLY 28 N -1.71 0.42 3.51 0.44 0.00 -1.26 -5.02 105.19 101.57 1u3h n GLY 28 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1u3h n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u3h s ASP 29 N -2.16 3.99 -0.22 1.61 1.01 -0.74 -5.08 116.67 115.09 1u3h s ASP 29 Ca 0.00 -0.54 -0.29 0.00 0.71 0.00 0.00 52.55 52.43 1u3h s ASP 29 Cb 0.00 -0.60 -0.01 0.00 1.01 0.00 0.00 42.92 43.32 1u3h s ASP 29 CO 0.00 0.17 1.31 -0.70 0.21 0.00 0.00 175.17 176.17 1u3h s GLU 30 N -2.22 4.08 -0.13 8.23 2.12 -1.26 -1.32 118.70 128.20 1u3h s GLU 30 Ca 0.19 1.52 -0.27 0.00 0.36 0.00 0.00 54.97 56.78 1u3h s GLU 30 Cb -0.10 -3.83 -0.24 0.00 0.26 0.00 0.00 34.13 30.21 1u3h s GLU 30 CO 0.11 -0.91 0.74 -0.07 -0.54 0.00 0.00 175.26 174.59 1u3h h LEU 31 N 10.31 -0.00 -7.75 2.70 3.38 -0.95 -3.41 115.31 119.58 1u3h h LEU 31 Ca -0.27 -0.90 0.21 0.00 0.09 0.00 0.00 57.88 57.01 1u3h h LEU 31 Cb 1.11 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.79 1u3h h LEU 31 CO 1.00 0.94 0.64 0.72 0.09 0.00 0.00 178.44 181.82 1u3h s PHE 32 N -2.26 -0.01 0.01 1.13 -0.12 -1.17 -1.90 117.98 113.67 1u3h s PHE 32 Ca -0.17 -0.29 0.00 0.00 -0.05 0.00 0.00 56.93 56.42 1u3h s PHE 32 Cb -0.03 0.64 -0.01 0.00 -0.63 0.00 0.00 43.02 42.99 1u3h s PHE 32 CO 0.64 -0.72 -0.02 1.52 -0.05 0.00 0.00 175.22 176.59 1u3h s TYR 33 N -2.49 0.18 -0.23 3.49 -0.85 -1.15 -1.76 117.35 114.53 1u3h s TYR 33 Ca 0.19 -0.33 -0.17 0.00 -0.52 0.00 0.00 57.07 56.23 1u3h s TYR 33 Cb -0.01 -0.13 -0.03 0.00 0.38 0.00 0.00 41.96 42.17 1u3h s TYR 33 CO 0.02 -0.12 0.48 0.08 -1.52 0.00 0.00 175.55 174.50 1u3h s VAL 34 N -0.92 5.11 -0.40 -3.49 1.01 -0.56 -1.18 120.40 119.98 1u3h s VAL 34 Ca -0.10 0.84 -0.29 0.00 0.00 0.00 0.00 61.98 62.43 1u3h s VAL 34 Cb -0.06 -3.80 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 1u3h s VAL 34 CO -0.01 0.15 1.55 -0.62 0.00 0.00 0.00 175.10 176.18 1u3h s ASP 35 N 1.35 6.15 0.25 3.32 -1.08 0.12 -4.60 116.67 122.17 1u3h s ASP 35 Ca 0.21 0.95 0.23 0.00 -0.52 0.00 0.00 52.55 53.43 1u3h s ASP 35 Cb -0.15 -2.54 0.96 0.00 -1.46 0.00 0.00 42.92 39.73 1u3h s ASP 35 CO 0.09 -1.56 1.70 0.18 0.52 0.00 0.00 175.17 176.10 1u3h n LEU 36 N 9.44 0.64 -0.07 -1.34 4.77 -1.26 0.12 117.00 129.30 1u3h n LEU 36 Ca 0.19 0.66 -0.21 0.00 -0.03 0.00 0.00 56.01 56.61 1u3h n LEU 36 Cb 0.48 -0.57 -0.13 0.00 -2.33 0.00 0.00 43.42 40.87 1u3h n LEU 36 CO 0.70 -0.54 -1.08 0.47 -1.33 0.00 0.00 177.39 175.61 1u3h n ASP 37 N -2.21 2.03 0.18 -1.43 8.00 -1.26 -4.20 116.55 117.66 1u3h n ASP 37 Ca 0.02 0.09 0.12 0.00 0.71 0.00 0.00 54.79 55.73 1u3h n ASP 37 Cb 0.23 -0.68 0.22 0.00 -0.02 0.00 0.00 41.12 40.88 1u3h n ASP 37 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1u3h h LYS 38 N -0.14 0.00 -5.21 -1.24 1.57 -1.96 -3.47 116.57 106.12 1u3h h LYS 38 Ca -0.51 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 57.96 1u3h h LYS 38 Cb 1.88 0.00 0.14 0.00 0.08 0.00 0.00 32.23 34.33 1u3h h LYS 38 CO -0.06 0.00 -0.64 1.63 -0.57 0.00 0.00 179.45 179.81 1u3h n LYS 39 N -2.84 -6.27 -4.22 3.15 5.02 0.12 -5.01 118.16 108.11 1u3h n LYS 39 Ca 0.04 0.74 -0.17 0.00 -2.02 0.00 0.00 58.31 56.90 1u3h n LYS 39 Cb 0.50 -5.45 -0.14 0.00 -0.02 0.00 0.00 35.03 29.92 1u3h n LYS 39 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1u3h s GLU 40 N -5.57 0.55 -0.20 1.97 2.12 -0.92 -4.78 118.70 111.88 1u3h s GLU 40 Ca 0.20 -0.31 -0.26 0.00 0.36 0.00 0.00 54.97 54.97 1u3h s GLU 40 Cb -0.09 -0.51 -0.01 0.00 0.26 0.00 0.00 34.13 33.79 1u3h s GLU 40 CO 0.64 0.13 0.87 0.99 -0.54 0.00 0.00 175.26 177.35 1u3h s THR 41 N -0.31 4.83 -0.52 -1.70 2.01 -1.26 0.12 115.64 118.82 1u3h s THR 41 Ca 0.01 1.69 -0.09 0.00 0.31 0.00 0.00 61.69 63.61 1u3h s THR 41 Cb -0.04 -4.16 0.13 0.00 0.01 0.00 0.00 72.50 68.44 1u3h s THR 41 CO -0.00 -0.03 0.40 -0.63 -0.69 0.00 0.00 174.62 173.66 1u3h s ILE 42 N 2.49 4.31 -0.07 1.82 -1.09 -0.33 -4.96 121.20 123.38 1u3h s ILE 42 Ca 0.39 -1.95 -0.30 0.00 -2.23 0.00 0.00 60.65 56.56 1u3h s ILE 42 Cb -0.16 -3.82 -0.02 0.00 -1.58 0.00 0.00 42.46 36.87 1u3h s ILE 42 CO 0.10 -0.81 1.13 0.26 -1.23 0.00 0.00 174.94 174.39 1u3h s TRP 43 N 1.14 3.31 0.39 3.97 0.52 -1.26 -2.96 118.94 124.05 1u3h s TRP 43 Ca 0.08 1.36 0.06 0.00 0.02 0.00 0.00 56.10 57.61 1u3h s TRP 43 Cb -0.24 -3.33 0.79 0.00 -1.15 0.00 0.00 33.47 29.53 1u3h s TRP 43 CO -0.02 -0.91 2.02 1.98 0.02 0.00 0.00 176.95 180.05 1u3h h MET 44 N 7.32 0.57 -4.47 4.98 4.05 -1.61 -3.33 114.93 122.43 1u3h h MET 44 Ca -0.33 -0.05 -0.70 0.00 -0.28 0.00 0.00 59.70 58.34 1u3h h MET 44 Cb 1.16 -0.12 -0.32 0.00 -0.80 0.00 0.00 31.60 31.51 1u3h h MET 44 CO 0.87 0.41 -0.52 -0.51 0.23 0.00 0.00 176.91 177.39 1u3h s LEU 45 N -9.44 5.20 0.22 3.39 1.43 -1.26 -4.99 118.68 113.23 1u3h s LEU 45 Ca -0.08 -1.86 -0.13 0.00 -1.03 0.00 0.00 54.13 51.03 1u3h s LEU 45 Cb 0.17 -1.88 0.26 0.00 0.03 0.00 0.00 46.19 44.78 1u3h s LEU 45 CO 0.74 -0.55 1.62 -0.65 0.23 0.00 0.00 176.35 177.75 1u3h h PRO 46 N 8.17 0.01 -0.87 1.29 0.11 -1.98 -0.90 132.00 137.82 1u3h h PRO 46 Ca -0.17 -0.00 0.22 0.00 0.11 0.00 0.00 66.00 66.17 1u3h h PRO 46 Cb 1.06 -0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.01 1u3h h PRO 46 CO 0.72 0.01 0.06 1.05 -0.21 0.00 0.00 178.00 179.63 1u3h h GLU 47 N 0.01 0.09 -0.74 1.05 9.09 -1.94 0.98 114.58 123.12 1u3h h GLU 47 Ca 0.32 -0.01 0.11 0.00 0.05 0.00 0.00 59.36 59.84 1u3h h GLU 47 Cb 0.50 -0.02 -0.08 0.00 -1.65 0.00 0.00 28.75 27.50 1u3h h GLU 47 CO -0.68 0.06 0.35 0.74 0.05 0.00 0.00 179.01 179.54 1u3h h PHE 48 N 0.09 0.62 -0.02 2.06 -1.00 -1.56 -0.93 116.94 116.21 1u3h h PHE 48 Ca 0.52 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.33 1u3h h PHE 48 Cb 1.00 -0.17 -0.00 0.00 3.61 0.00 0.00 35.95 40.40 1u3h h PHE 48 CO -0.42 0.18 0.09 0.00 -1.61 0.00 0.00 178.31 176.56 1u3h h ALA 49 N 1.47 1.18 0.00 2.45 0.00 -0.83 0.25 119.26 123.78 1u3h h ALA 49 Ca 0.38 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1u3h h ALA 49 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1u3h h ALA 49 CO -0.31 -0.10 -0.20 1.96 0.00 0.00 0.00 179.25 180.59 1u3h h GLN 50 N 0.00 0.00 0.00 0.00 1.08 -1.16 -3.34 115.11 111.69 1u3h h GLN 50 Ca 0.01 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.03 1u3h h GLN 50 Cb 0.19 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.59 1u3h h GLN 50 CO -0.00 0.20 -1.77 1.28 -0.95 0.00 0.00 178.83 177.60 1u3h n LEU 51 N -3.26 0.00 -4.34 1.46 4.32 0.76 -5.05 117.00 110.89 1u3h n LEU 51 Ca 0.01 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.83 1u3h n LEU 51 Cb 0.48 0.24 -0.10 0.00 -1.62 0.00 0.00 43.42 42.42 1u3h n LEU 51 CO 0.34 0.24 -0.25 0.00 -1.22 0.00 0.00 177.39 176.49 1u3h s ARG 52 N -2.40 1.47 0.27 3.23 1.70 -0.51 -5.15 118.95 117.56 1u3h s ARG 52 Ca -0.06 -1.81 -0.17 0.00 -0.47 0.00 0.00 55.73 53.22 1u3h s ARG 52 Cb 0.04 -0.35 0.01 0.00 -0.57 0.00 0.00 34.95 34.09 1u3h s ARG 52 CO 0.49 -0.30 0.62 -1.54 -1.08 0.00 0.00 175.30 173.49 1u3h s SER 53 N -3.35 -0.19 -0.19 -2.89 1.04 -1.26 -4.37 113.70 102.50 1u3h s SER 53 Ca 0.37 -0.75 -0.11 0.00 0.48 0.00 0.00 55.95 55.95 1u3h s SER 53 Cb 0.08 0.67 0.06 0.00 0.10 0.00 0.00 66.02 66.93 1u3h s SER 53 CO 0.14 -1.26 0.46 0.12 0.98 0.00 0.00 173.24 173.68 1u3h s PHE 54 N -3.96 -0.66 -0.30 5.02 5.36 -1.26 -5.12 117.98 117.06 1u3h s PHE 54 Ca 0.16 1.41 -0.29 0.00 -0.96 0.00 0.00 56.93 57.25 1u3h s PHE 54 Cb -0.04 0.31 -0.01 0.00 -0.34 0.00 0.00 43.02 42.95 1u3h s PHE 54 CO 0.08 -0.36 1.53 0.34 -1.46 0.00 0.00 175.22 175.35 1u3h s ASP 55 N 1.34 6.34 0.58 6.13 -1.08 -1.26 -4.77 116.67 123.95 1u3h s ASP 55 Ca -0.09 1.28 0.31 0.00 -0.52 0.00 0.00 52.55 53.53 1u3h s ASP 55 Cb -0.07 -2.53 1.41 0.00 -1.46 0.00 0.00 42.92 40.26 1u3h s ASP 55 CO -0.13 -1.34 1.78 -0.65 0.52 0.00 0.00 175.17 175.35 1u3h h PRO 56 N 10.80 0.00 0.00 4.34 0.11 -1.94 0.13 132.00 145.44 1u3h h PRO 56 Ca -0.31 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 1u3h h PRO 56 Cb 1.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1u3h h PRO 56 CO 1.03 0.00 -0.02 0.37 -0.21 0.00 0.00 178.00 179.18 1u3h h GLN 57 N 0.00 0.00 -0.65 1.05 5.75 -1.90 -0.94 115.11 118.42 1u3h h GLN 57 Ca 0.35 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.83 1u3h h GLN 57 Cb 1.75 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 30.27 1u3h h GLN 57 CO -0.00 0.02 0.30 0.78 -2.65 0.00 0.00 178.83 177.27 1u3h h GLY 58 N 0.06 0.99 0.94 2.39 0.00 -1.12 -0.24 103.07 106.09 1u3h h GLY 58 Ca -0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 1u3h h GLY 58 CO 0.00 0.46 -0.28 -1.33 0.00 0.00 0.00 176.54 175.39 1u3h h GLY 59 N 1.00 0.70 0.99 4.60 0.00 -1.34 -2.56 103.07 106.47 1u3h h GLY 59 Ca 0.22 -0.73 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 1u3h h GLY 59 CO -0.03 0.66 0.26 1.41 0.00 0.00 0.00 176.54 178.85 1u3h h LEU 60 N 0.36 0.79 -0.47 3.11 3.38 -1.17 0.38 115.31 121.69 1u3h h LEU 60 Ca 0.04 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1u3h h LEU 60 Cb 0.85 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1u3h h LEU 60 CO 0.07 0.72 0.31 -0.61 0.09 0.00 0.00 178.44 179.01 1u3h h GLN 61 N 0.81 0.62 0.00 1.13 5.75 -1.06 -1.89 115.11 120.47 1u3h h GLN 61 Ca 0.20 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.57 1u3h h GLN 61 Cb 0.16 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 1u3h h GLN 61 CO -0.02 0.42 -0.44 -0.91 -2.65 0.00 0.00 178.83 175.23 1u3h h ASN 62 N 0.63 0.00 0.46 -0.69 2.35 -1.17 -2.96 115.58 114.20 1u3h h ASN 62 Ca 0.17 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.83 1u3h h ASN 62 Cb -0.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1u3h h ASN 62 CO -0.04 0.44 -0.43 0.40 -1.65 0.00 0.00 177.43 176.15 1u3h h ILE 63 N 0.00 1.29 -0.30 2.81 1.08 0.00 -1.81 117.51 120.59 1u3h h ILE 63 Ca -0.00 -1.50 -0.08 0.00 -0.39 0.00 0.00 64.86 62.88 1u3h h ILE 63 Cb 1.32 1.81 -0.01 0.00 -3.07 0.00 0.00 36.82 36.88 1u3h h ILE 63 CO 0.06 0.43 -0.14 0.00 -0.69 0.00 0.00 178.15 177.81 1u3h h ALA 64 N 1.57 0.41 0.00 1.87 0.00 -1.19 -2.00 119.26 119.92 1u3h h ALA 64 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1u3h h ALA 64 Cb 0.78 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1u3h h ALA 64 CO 0.06 0.30 -0.08 1.15 0.00 0.00 0.00 179.25 180.68 1u3h h THR 65 N 0.37 0.91 -0.39 0.00 2.02 -1.34 0.04 112.91 114.50 1u3h h THR 65 Ca 0.07 -0.29 -0.13 0.00 0.77 0.00 0.00 66.41 66.83 1u3h h THR 65 Cb 0.65 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1u3h h THR 65 CO 0.04 0.08 -0.28 1.23 0.37 0.00 0.00 175.52 176.96 1u3h h GLY 66 N 0.30 0.91 1.31 2.16 0.00 -0.67 0.28 103.07 107.36 1u3h h GLY 66 Ca -0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 47.33 46.42 1u3h h GLY 66 CO 0.01 0.75 -0.04 1.70 0.00 0.00 0.00 176.54 178.97 1u3h h LYS 67 N 0.71 0.83 0.51 4.80 3.64 -0.37 -1.19 116.57 125.51 1u3h h LYS 67 Ca 0.09 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.19 1u3h h LYS 67 Cb 0.82 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1u3h h LYS 67 CO 0.07 0.86 -0.25 1.25 -2.27 0.00 0.00 179.45 179.11 1u3h h HIS 68 N 0.76 -0.64 -0.86 1.91 2.76 -0.68 -3.29 115.15 115.12 1u3h h HIS 68 Ca 0.14 -0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.37 1u3h h HIS 68 Cb 0.51 0.21 -0.07 0.00 1.55 0.00 0.00 27.41 29.62 1u3h h HIS 68 CO 0.03 -0.38 0.52 -0.91 -1.30 0.00 0.00 177.93 175.89 1u3h h ASN 69 N -1.17 0.79 -4.13 3.26 2.35 -0.50 -3.17 115.58 113.02 1u3h h ASN 69 Ca -0.07 0.03 -0.51 0.00 -0.55 0.00 0.00 56.30 55.20 1u3h h ASN 69 Cb 0.55 -0.13 0.09 0.00 0.05 0.00 0.00 38.32 38.87 1u3h h ASN 69 CO 0.12 0.48 0.41 -0.22 -1.65 0.00 0.00 177.43 176.57 1u3h s LEU 70 N -10.23 3.60 0.00 1.61 2.96 -0.45 -1.47 118.68 114.70 1u3h s LEU 70 Ca -0.12 2.13 0.00 0.00 -0.22 0.00 0.00 54.13 55.91 1u3h s LEU 70 Cb 0.19 -4.57 0.00 0.00 0.50 0.00 0.00 46.19 42.31 1u3h s LEU 70 CO 0.79 -1.42 0.00 0.61 -1.32 0.00 0.00 176.35 175.01 1u3h n GLY 71 N -0.08 2.35 0.16 7.98 0.00 -1.26 -4.55 105.19 109.80 1u3h n GLY 71 Ca 0.11 -0.49 -0.07 0.00 0.00 0.00 0.00 46.02 45.58 1u3h n GLY 71 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1u3h h VAL 72 N 0.00 0.97 0.00 1.61 2.07 -1.44 0.41 116.25 119.87 1u3h h VAL 72 Ca 0.00 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 67.28 1u3h h VAL 72 Cb 0.00 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1u3h h VAL 72 CO 0.00 0.07 -0.55 -0.07 0.02 0.00 0.00 177.57 177.04 1u3h h LEU 73 N 0.38 0.00 -0.71 2.57 -0.00 -1.49 -0.76 115.31 115.29 1u3h h LEU 73 Ca 0.16 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.94 1u3h h LEU 73 Cb 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.72 1u3h h LEU 73 CO -0.12 0.55 -0.48 0.74 -0.00 0.00 0.00 178.44 179.13 1u3h h THR 74 N 0.00 1.03 0.14 0.22 2.02 -1.62 -0.20 112.91 114.51 1u3h h THR 74 Ca -0.01 -1.86 -0.19 0.00 0.77 0.00 0.00 66.41 65.13 1u3h h THR 74 Cb 1.22 2.10 0.02 0.00 -1.74 0.00 0.00 68.15 69.75 1u3h h THR 74 CO 0.07 0.47 -0.86 0.50 0.37 0.00 0.00 175.52 176.07 1u3h h LYS 75 N 0.00 0.29 -0.18 6.66 3.64 -0.03 0.79 116.57 127.75 1u3h h LYS 75 Ca -0.00 -0.50 -0.04 0.00 -1.27 0.00 0.00 60.65 58.84 1u3h h LYS 75 Cb 1.06 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 1u3h h LYS 75 CO 0.06 1.24 -0.03 -0.09 -2.27 0.00 0.00 179.45 178.36 1u3h h ARG 76 N -0.37 0.34 0.00 1.90 2.43 -1.10 -2.81 114.38 114.77 1u3h h ARG 76 Ca -0.15 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1u3h h ARG 76 Cb 1.65 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.18 1u3h h ARG 76 CO 0.14 0.59 0.00 -1.13 -1.51 0.00 0.00 179.97 178.06 1u3h n SER 77 N -4.67 0.00 -2.08 -3.80 3.41 -0.09 -4.74 113.62 101.65 1u3h n SER 77 Ca -0.05 -0.05 -0.13 0.00 -0.26 0.00 0.00 58.87 58.38 1u3h n SER 77 Cb 0.26 -0.08 0.04 0.00 -0.26 0.00 0.00 64.21 64.17 1u3h n SER 77 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1u3h n ASN 78 N -1.08 -4.31 -3.66 4.04 3.02 -1.06 -3.34 115.26 108.87 1u3h n ASN 78 Ca 0.03 -0.26 -0.24 0.00 -0.03 0.00 0.00 54.58 54.08 1u3h n ASN 78 Cb 0.02 -2.96 0.06 0.00 -0.61 0.00 0.00 39.78 36.29 1u3h n ASN 78 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1u3h n SER 79 N -0.87 -4.72 -4.64 6.41 2.88 0.27 -4.95 113.62 108.01 1u3h n SER 79 Ca -0.01 -0.64 -0.43 0.00 -1.33 0.00 0.00 58.87 56.46 1u3h n SER 79 Cb 0.54 -4.66 -0.02 0.00 -0.75 0.00 0.00 64.21 59.32 1u3h n SER 79 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1u3h s THR 80 N -3.36 4.16 0.73 2.46 2.01 -1.21 -5.01 115.64 115.42 1u3h s THR 80 Ca 0.45 1.33 -0.11 0.00 0.31 0.00 0.00 61.69 63.67 1u3h s THR 80 Cb -0.21 -4.10 0.03 0.00 0.01 0.00 0.00 72.50 68.24 1u3h s THR 80 CO 0.76 -0.38 1.08 -2.16 -0.69 0.00 0.00 174.62 173.23 1u3h s PRO 81 N 4.02 2.64 0.35 4.92 0.04 -1.26 -5.04 135.00 140.68 1u3h s PRO 81 Ca 0.57 0.76 -0.24 0.00 0.04 0.00 0.00 61.00 62.12 1u3h s PRO 81 Cb -0.18 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 1u3h s PRO 81 CO 0.21 -1.26 0.94 0.00 0.04 0.00 0.00 177.00 176.93 1u3h s ALA 82 N -3.13 3.16 -0.20 8.56 0.00 -1.26 -5.03 121.76 123.86 1u3h s ALA 82 Ca 0.59 0.48 -0.16 0.00 0.00 0.00 0.00 51.96 52.87 1u3h s ALA 82 Cb -0.14 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1u3h s ALA 82 CO 0.54 0.17 0.40 0.99 0.00 0.00 0.00 175.76 177.85 1u3h s THR 83 N -1.79 5.20 0.03 0.00 2.01 -1.26 -4.99 115.64 114.84 1u3h s THR 83 Ca 0.54 0.71 -0.30 0.00 0.31 0.00 0.00 61.69 62.94 1u3h s THR 83 Cb -0.16 -3.73 -0.07 0.00 0.01 0.00 0.00 72.50 68.55 1u3h s THR 83 CO 0.20 0.26 1.68 0.20 -0.69 0.00 0.00 174.62 176.28 1u3h s ASN 84 N 1.02 6.61 0.41 3.53 -0.87 -1.26 -4.62 114.94 119.76 1u3h s ASN 84 Ca 0.19 2.42 0.08 0.00 -1.57 0.00 0.00 52.86 53.98 1u3h s ASN 84 Cb -0.15 -2.55 0.01 0.00 -0.02 0.00 0.00 41.25 38.54 1u3h s ASN 84 CO 0.08 -0.91 0.54 -1.61 -2.57 0.00 0.00 177.10 172.63 1u3h s GLU 85 N 3.27 2.85 -0.25 -0.60 0.41 -0.22 -4.87 118.70 119.30 1u3h s GLU 85 Ca 0.75 -1.22 -0.05 0.00 -0.41 0.00 0.00 54.97 54.04 1u3h s GLU 85 Cb -0.38 -2.75 -0.01 0.00 -1.78 0.00 0.00 34.13 29.22 1u3h s GLU 85 CO 0.32 -0.22 0.01 0.00 -0.49 0.00 0.00 175.26 174.89 1u3h s ALA 86 N -2.33 2.95 0.80 5.21 0.00 -1.26 -3.93 121.76 123.19 1u3h s ALA 86 Ca 0.53 -1.26 -0.13 0.00 0.00 0.00 0.00 51.96 51.10 1u3h s ALA 86 Cb -0.10 -1.90 0.08 0.00 0.00 0.00 0.00 23.12 21.20 1u3h s ALA 86 CO 0.32 -0.61 1.19 -2.14 0.00 0.00 0.00 175.76 174.53 1u3h s PRO 87 N 1.50 1.74 -0.03 0.00 0.02 -1.24 -4.88 135.00 132.12 1u3h s PRO 87 Ca 0.05 1.69 0.03 0.00 0.02 0.00 0.00 61.00 62.79 1u3h s PRO 87 Cb -0.15 -1.79 -0.00 0.00 0.02 0.00 0.00 34.50 32.57 1u3h s PRO 87 CO -0.00 -2.12 -0.12 -1.14 -0.33 0.00 0.00 177.00 173.28 1u3h s GLN 88 N -4.18 1.20 0.07 5.54 0.74 -0.50 -4.97 119.66 117.56 1u3h s GLN 88 Ca 0.72 -0.44 0.07 0.00 0.05 0.00 0.00 55.36 55.76 1u3h s GLN 88 Cb -0.27 -1.11 -0.03 0.00 1.10 0.00 0.00 33.01 32.70 1u3h s GLN 88 CO 0.50 0.20 -0.19 0.00 -0.55 0.00 0.00 175.29 175.26 1u3h s ALA 89 N -0.01 1.60 -0.01 1.58 0.00 -1.26 -0.01 121.76 123.64 1u3h s ALA 89 Ca -0.01 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.88 1u3h s ALA 89 Cb -0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 1u3h s ALA 89 CO 0.01 0.32 -0.06 0.99 0.00 0.00 0.00 175.76 177.01 1u3h s THR 90 N -1.03 0.53 -0.08 0.00 2.01 -0.41 -4.97 115.64 111.69 1u3h s THR 90 Ca 0.05 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 61.83 1u3h s THR 90 Cb -0.09 -0.46 0.00 0.00 0.01 0.00 0.00 72.50 71.95 1u3h s THR 90 CO 0.03 0.16 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.22 1u3h s VAL 91 N 0.02 1.77 -0.07 3.82 1.01 -1.26 -1.24 120.40 124.44 1u3h s VAL 91 Ca 0.00 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 60.87 1u3h s VAL 91 Cb -0.05 -1.53 0.05 0.00 0.00 0.00 0.00 36.38 34.85 1u3h s VAL 91 CO -0.00 0.50 0.56 0.72 0.00 0.00 0.00 175.10 176.87 1u3h s PHE 92 N 0.30 -0.52 0.41 5.22 -0.71 -0.62 -5.00 117.98 117.06 1u3h s PHE 92 Ca -0.14 0.98 -0.23 0.00 -1.04 0.00 0.00 56.93 56.50 1u3h s PHE 92 Cb -0.16 0.28 -0.10 0.00 -1.21 0.00 0.00 43.02 41.83 1u3h s PHE 92 CO 0.06 -0.49 0.99 -1.25 -1.34 0.00 0.00 175.22 173.19 1u3h s PRO 93 N -0.93 4.21 0.10 1.99 0.04 -1.26 -1.32 135.00 137.83 1u3h s PRO 93 Ca -0.10 1.29 -0.19 0.00 0.04 0.00 0.00 61.00 62.05 1u3h s PRO 93 Cb -0.02 -2.37 -0.06 0.00 0.04 0.00 0.00 34.50 32.08 1u3h s PRO 93 CO 0.07 -0.06 1.63 -0.22 0.04 0.00 0.00 177.00 178.46 1u3h h LYS 94 N 2.24 0.40 -5.98 4.56 3.64 -1.54 -3.45 116.57 116.43 1u3h h LYS 94 Ca -0.48 -0.08 -0.61 0.00 -1.27 0.00 0.00 60.65 58.21 1u3h h LYS 94 Cb 1.20 -0.06 -0.13 0.00 -0.41 0.00 0.00 32.23 32.83 1u3h h LYS 94 CO 0.62 0.45 -0.67 -1.12 -2.27 0.00 0.00 179.45 176.45 1u3h s SER 95 N -5.71 3.84 0.39 4.20 0.01 -1.26 -5.05 113.70 110.10 1u3h s SER 95 Ca -0.13 -1.13 -0.28 0.00 1.31 0.00 0.00 55.95 55.72 1u3h s SER 95 Cb 0.08 -0.39 -0.11 0.00 0.21 0.00 0.00 66.02 65.81 1u3h s SER 95 CO 0.73 -0.19 1.48 -2.84 0.41 0.00 0.00 173.24 172.83 1u3h s PRO 96 N -3.63 4.06 -0.04 12.44 0.02 -1.26 -4.90 135.00 141.69 1u3h s PRO 96 Ca 0.33 2.55 -0.30 0.00 0.02 0.00 0.00 61.00 63.60 1u3h s PRO 96 Cb 0.01 -2.93 -0.04 0.00 0.02 0.00 0.00 34.50 31.55 1u3h s PRO 96 CO 0.17 -0.57 1.35 0.08 -0.33 0.00 0.00 177.00 177.71 1u3h s VAL 97 N -1.13 3.90 -0.08 3.83 1.01 -1.26 -5.03 120.40 121.64 1u3h s VAL 97 Ca 0.54 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.75 1u3h s VAL 97 Cb -0.46 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.15 1u3h s VAL 97 CO 0.62 -0.02 -0.06 -0.76 0.00 0.00 0.00 175.10 174.89 1u3h s LEU 98 N 2.59 1.13 -0.26 3.92 1.43 -1.26 -5.09 118.68 121.13 1u3h s LEU 98 Ca 0.61 -0.21 -0.40 0.00 -1.03 0.00 0.00 54.13 53.10 1u3h s LEU 98 Cb -0.29 -0.66 -0.16 0.00 0.03 0.00 0.00 46.19 45.12 1u3h s LEU 98 CO 0.24 -0.10 1.71 0.18 0.23 0.00 0.00 176.35 178.61 1u3h n LEU 99 N 4.65 2.31 0.00 1.79 4.32 -1.26 -0.84 117.00 127.96 1u3h n LEU 99 Ca -0.15 1.08 0.00 0.00 -0.02 0.00 0.00 56.01 56.92 1u3h n LEU 99 Cb 0.50 -1.14 0.00 0.00 -1.62 0.00 0.00 43.42 41.17 1u3h n LEU 99 CO 0.18 -0.49 0.00 0.61 -1.22 0.00 0.00 177.39 176.47 1u3h n GLY 100 N 4.07 1.42 3.70 -0.72 0.00 -0.81 -4.99 105.19 107.86 1u3h n GLY 100 Ca 0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 1u3h n GLY 100 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u3h s GLN 101 N -0.15 4.17 0.12 1.61 0.74 -0.02 -4.88 119.66 121.24 1u3h s GLN 101 Ca 0.00 -0.11 -0.36 0.00 0.05 0.00 0.00 55.36 54.94 1u3h s GLN 101 Cb 0.00 -3.47 -0.16 0.00 1.10 0.00 0.00 33.01 30.48 1u3h s GLN 101 CO 0.00 0.17 1.43 -2.30 -0.55 0.00 0.00 175.29 174.04 1u3h n PRO 102 N 3.90 1.55 -1.33 1.67 -0.02 -1.26 -4.25 135.00 135.26 1u3h n PRO 102 Ca -0.14 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1u3h n PRO 102 Cb 0.52 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1u3h n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1u3h n ASN 103 N 2.87 0.01 -3.76 2.55 2.85 -0.79 -5.03 115.26 113.96 1u3h n ASN 103 Ca 0.18 -0.67 -0.13 0.00 -0.11 0.00 0.00 54.58 53.86 1u3h n ASN 103 Cb 0.23 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.13 1u3h n ASN 103 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1u3h s THR 104 N -1.66 -0.02 -0.15 -0.44 2.01 -1.26 -2.63 115.64 111.49 1u3h s THR 104 Ca 0.00 0.07 -0.07 0.00 0.31 0.00 0.00 61.69 62.00 1u3h s THR 104 Cb 0.00 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 1u3h s THR 104 CO 0.00 0.03 0.10 -0.76 -0.69 0.00 0.00 174.62 173.30 1u3h s LEU 105 N 0.63 4.12 -0.08 4.42 1.43 0.23 -1.25 118.68 128.18 1u3h s LEU 105 Ca -0.04 0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.39 1u3h s LEU 105 Cb -0.06 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 1u3h s LEU 105 CO -0.04 0.30 -0.20 -0.63 0.23 0.00 0.00 176.35 176.01 1u3h s ILE 106 N -0.38 2.44 -0.27 -0.59 1.01 -0.44 -0.70 121.20 122.26 1u3h s ILE 106 Ca 0.11 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1u3h s ILE 106 Cb -0.12 -1.94 0.05 0.00 0.01 0.00 0.00 42.46 40.46 1u3h s ILE 106 CO 0.01 0.56 -0.06 0.00 0.00 0.00 0.00 174.94 175.45 1u3h s PHE 108 N 1.21 3.22 -0.20 0.00 5.36 -0.38 -1.12 117.98 126.08 1u3h s PHE 108 Ca -0.05 0.01 -0.04 0.00 -0.96 0.00 0.00 56.93 55.89 1u3h s PHE 108 Cb -0.19 -2.49 -0.01 0.00 -0.34 0.00 0.00 43.02 39.99 1u3h s PHE 108 CO -0.04 -0.28 -0.04 0.08 -1.46 0.00 0.00 175.22 173.47 1u3h s VAL 109 N 1.83 3.51 0.41 3.12 1.01 -0.17 -1.29 120.40 128.81 1u3h s VAL 109 Ca 0.08 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.67 1u3h s VAL 109 Cb -0.17 -2.57 -0.06 0.00 0.00 0.00 0.00 36.38 33.58 1u3h s VAL 109 CO 0.11 0.44 0.11 -0.62 0.00 0.00 0.00 175.10 175.14 1u3h s ASP 110 N 1.10 4.20 -1.20 3.32 -1.08 0.98 -1.31 116.67 122.68 1u3h s ASP 110 Ca 0.01 -1.19 -0.04 0.00 -0.52 0.00 0.00 52.55 50.82 1u3h s ASP 110 Cb -0.15 -0.45 -0.02 0.00 -1.46 0.00 0.00 42.92 40.85 1u3h s ASP 110 CO -0.00 -0.49 0.84 -3.20 0.52 0.00 0.00 175.17 172.83 1u3h n ASN 111 N -1.12 -3.20 -4.63 -0.34 5.15 -1.07 -1.41 115.26 108.64 1u3h n ASN 111 Ca -0.03 -0.77 -0.38 0.00 -0.60 0.00 0.00 54.58 52.80 1u3h n ASN 111 Cb 0.65 -4.50 -0.10 0.00 -0.53 0.00 0.00 39.78 35.31 1u3h n ASN 111 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1u3h s ILE 112 N -3.50 5.30 -0.29 -1.44 1.01 0.13 -3.59 121.20 118.82 1u3h s ILE 112 Ca 0.17 0.28 -0.15 0.00 0.00 0.00 0.00 60.65 60.94 1u3h s ILE 112 Cb -0.04 -3.56 0.15 0.00 0.01 0.00 0.00 42.46 39.02 1u3h s ILE 112 CO 0.78 0.28 0.94 0.12 0.00 0.00 0.00 174.94 177.06 1u3h s PHE 113 N 1.47 -0.69 0.94 3.97 5.36 -1.26 -0.28 117.98 127.49 1u3h s PHE 113 Ca 0.09 1.30 -0.12 0.00 -0.96 0.00 0.00 56.93 57.24 1u3h s PHE 113 Cb -0.15 0.42 0.16 0.00 -0.34 0.00 0.00 43.02 43.10 1u3h s PHE 113 CO 0.08 -0.34 1.10 -1.25 -1.46 0.00 0.00 175.22 173.35 1u3h s PRO 114 N 1.86 0.87 -0.91 10.12 0.04 -1.26 -1.05 135.00 144.67 1u3h s PRO 114 Ca -0.07 0.52 -0.18 0.00 0.04 0.00 0.00 61.00 61.32 1u3h s PRO 114 Cb -0.05 -1.79 -0.11 0.00 0.04 0.00 0.00 34.50 32.59 1u3h s PRO 114 CO -0.16 -2.43 2.03 -0.35 0.04 0.00 0.00 177.00 176.12 1u3h n PRO 115 N -3.97 1.84 -3.70 0.56 -0.04 -1.26 -4.76 135.00 123.67 1u3h n PRO 115 Ca 0.06 -1.88 -0.15 0.00 -0.04 0.00 0.00 63.50 61.49 1u3h n PRO 115 Cb 0.57 -2.88 -0.15 0.00 -0.04 0.00 0.00 33.50 31.01 1u3h n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1u3h s VAL 116 N 4.39 -0.18 -0.07 0.52 1.01 -1.26 -5.11 120.40 119.69 1u3h s VAL 116 Ca 0.53 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 1u3h s VAL 116 Cb 0.14 -0.31 0.11 0.00 0.00 0.00 0.00 36.38 36.32 1u3h s VAL 116 CO 0.06 0.11 0.93 -0.51 0.00 0.00 0.00 175.10 175.68 1u3h s ILE 117 N 1.80 0.00 -0.14 2.22 2.07 -1.26 -4.74 121.20 121.15 1u3h s ILE 117 Ca -0.03 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.23 1u3h s ILE 117 Cb -0.12 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.49 1u3h s ILE 117 CO -0.07 0.00 -0.19 0.20 -1.91 0.00 0.00 174.94 172.98 1u3h s ASN 118 N -1.91 2.89 -0.13 4.50 0.02 -0.95 -5.00 114.94 114.36 1u3h s ASN 118 Ca 0.02 -0.55 0.01 0.00 -1.02 0.00 0.00 52.86 51.32 1u3h s ASN 118 Cb -0.01 -1.33 0.02 0.00 0.02 0.00 0.00 41.25 39.95 1u3h s ASN 118 CO -0.04 0.03 -0.16 -0.63 0.02 0.00 0.00 177.10 176.32 1u3h s ILE 119 N 1.04 1.67 0.12 0.60 1.01 -1.26 -0.79 121.20 123.58 1u3h s ILE 119 Ca -0.03 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.90 1u3h s ILE 119 Cb -0.14 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1u3h s ILE 119 CO -0.05 0.47 -0.01 0.42 0.00 0.00 0.00 174.94 175.78 1u3h s THR 120 N 1.15 0.45 -0.05 2.92 -4.23 0.36 -4.97 115.64 111.26 1u3h s THR 120 Ca -0.02 -1.92 -0.01 0.00 -1.18 0.00 0.00 61.69 58.57 1u3h s THR 120 Cb -0.14 -1.89 -0.03 0.00 1.34 0.00 0.00 72.50 71.78 1u3h s THR 120 CO -0.06 -0.66 0.01 0.26 -0.54 0.00 0.00 174.62 173.62 1u3h s TRP 121 N -3.80 3.14 -0.13 3.99 0.52 -1.26 0.12 118.94 121.52 1u3h s TRP 121 Ca 0.18 0.15 0.00 0.00 0.02 0.00 0.00 56.10 56.46 1u3h s TRP 121 Cb 0.07 -1.74 0.02 0.00 -1.15 0.00 0.00 33.47 30.66 1u3h s TRP 121 CO -0.01 0.47 -0.12 -0.51 0.02 0.00 0.00 176.95 176.80 1u3h s LEU 122 N -1.16 1.49 -0.36 2.99 1.43 -0.48 -0.28 118.68 122.30 1u3h s LEU 122 Ca 0.16 -0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 52.71 1u3h s LEU 122 Cb -0.11 -1.02 -0.00 0.00 0.03 0.00 0.00 46.19 45.08 1u3h s LEU 122 CO 0.06 -0.07 0.34 -0.60 0.23 0.00 0.00 176.35 176.31 1u3h s ARG 123 N 1.48 3.40 -1.83 1.70 3.52 -0.26 -1.42 118.95 125.55 1u3h s ARG 123 Ca 0.03 -0.60 0.00 0.00 -0.13 0.00 0.00 55.73 55.03 1u3h s ARG 123 Cb -0.13 -3.85 0.00 0.00 -1.56 0.00 0.00 34.95 29.41 1u3h s ARG 123 CO -0.08 -0.59 0.00 0.09 -0.81 0.00 0.00 175.30 173.91 1u3h n ASN 124 N 5.32 -5.36 0.00 -2.12 3.02 0.25 -1.69 115.26 114.68 1u3h n ASN 124 Ca -0.10 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1u3h n ASN 124 Cb 0.49 -4.60 0.00 0.00 -0.61 0.00 0.00 39.78 35.06 1u3h n ASN 124 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1u3h n SER 125 N -1.64 -1.55 -3.77 6.41 7.64 -1.26 -5.02 113.62 114.43 1u3h n SER 125 Ca -0.21 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.52 1u3h n SER 125 Cb 0.66 -0.26 -0.16 0.00 -1.01 0.00 0.00 64.21 63.44 1u3h n SER 125 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1u3h s LYS 126 N -0.92 -0.04 0.15 1.43 1.02 -0.68 -5.09 119.74 115.61 1u3h s LYS 126 Ca 0.00 0.19 -0.33 0.00 0.02 0.00 0.00 55.97 55.85 1u3h s LYS 126 Cb 0.00 -0.25 -0.13 0.00 -0.52 0.00 0.00 37.83 36.94 1u3h s LYS 126 CO 0.00 -0.17 1.68 0.45 -0.92 0.00 0.00 175.35 176.40 1u3h n SER 127 N 4.18 3.52 -4.38 2.83 2.88 -1.26 -1.10 113.62 120.30 1u3h n SER 127 Ca -0.28 1.05 -0.34 0.00 -1.33 0.00 0.00 58.87 57.98 1u3h n SER 127 Cb 0.50 -1.48 -0.14 0.00 -0.75 0.00 0.00 64.21 62.34 1u3h n SER 127 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1u3h s VAL 128 N 1.53 3.34 -0.30 2.46 1.01 0.61 -4.87 120.40 124.19 1u3h s VAL 128 Ca 0.79 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 62.30 1u3h s VAL 128 Cb -0.60 -2.46 -0.07 0.00 0.00 0.00 0.00 36.38 33.25 1u3h s VAL 128 CO 0.37 0.49 0.27 0.00 0.00 0.00 0.00 175.10 176.23 1u3h n ALA 129 N 3.94 2.82 -2.80 5.51 0.00 -1.26 -4.28 120.51 124.44 1u3h n ALA 129 Ca -0.18 -0.18 -0.34 0.00 0.00 0.00 0.00 53.44 52.74 1u3h n ALA 129 Cb 0.52 -0.23 -0.05 0.00 0.00 0.00 0.00 19.45 19.69 1u3h n ALA 129 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1u3h s ASP 130 N -1.59 6.46 -0.34 0.00 -1.08 -1.26 -4.30 116.67 114.56 1u3h s ASP 130 Ca 0.02 0.49 0.00 0.00 -0.52 0.00 0.00 52.55 52.55 1u3h s ASP 130 Cb 0.05 -2.06 0.00 0.00 -1.46 0.00 0.00 42.92 39.45 1u3h s ASP 130 CO 0.26 0.23 0.00 0.61 0.52 0.00 0.00 175.17 176.78 1u3h n GLY 131 N 0.90 0.39 3.45 2.66 0.00 -1.26 -4.79 105.19 106.54 1u3h n GLY 131 Ca -0.10 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 1u3h n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u3h s VAL 132 N -2.16 3.28 0.03 1.61 1.01 -1.26 -1.44 120.40 121.47 1u3h s VAL 132 Ca 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1u3h s VAL 132 Cb 0.00 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 1u3h s VAL 132 CO 0.00 0.55 -0.10 -0.47 0.00 0.00 0.00 175.10 175.07 1u3h s TYR 133 N -0.07 0.89 0.03 5.22 5.04 -0.63 -4.95 117.35 122.88 1u3h s TYR 133 Ca -0.01 -0.36 0.04 0.00 -2.44 0.00 0.00 57.07 54.29 1u3h s TYR 133 Cb -0.14 -0.53 -0.02 0.00 0.35 0.00 0.00 41.96 41.63 1u3h s TYR 133 CO 0.03 -0.01 -0.12 -2.00 -1.34 0.00 0.00 175.55 172.12 1u3h s GLU 134 N -1.15 0.80 0.55 4.97 2.12 -1.26 0.11 118.70 124.83 1u3h s GLU 134 Ca -0.03 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 54.67 1u3h s GLU 134 Cb -0.08 -0.76 0.03 0.00 0.26 0.00 0.00 34.13 33.59 1u3h s GLU 134 CO 0.01 0.19 0.77 0.95 -0.54 0.00 0.00 175.26 176.64 1u3h s THR 135 N -0.78 2.66 0.00 -1.70 -4.23 -0.10 -5.01 115.64 106.49 1u3h s THR 135 Ca 0.00 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 1u3h s THR 135 Cb -0.07 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.78 1u3h s THR 135 CO 0.01 0.00 0.00 -1.20 -0.54 0.00 0.00 174.62 172.89 1u3h n SER 136 N -2.34 -0.46 -4.61 3.99 7.64 -1.26 -4.66 113.62 111.92 1u3h n SER 136 Ca 0.08 -0.72 -0.40 0.00 1.01 0.00 0.00 58.87 58.84 1u3h n SER 136 Cb 0.60 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.72 1u3h n SER 136 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1u3h s PHE 137 N -0.95 3.26 0.11 1.43 0.08 -1.26 -4.56 117.98 116.09 1u3h s PHE 137 Ca 0.00 0.60 -0.20 0.00 0.12 0.00 0.00 56.93 57.46 1u3h s PHE 137 Cb 0.00 -2.71 -0.07 0.00 -0.57 0.00 0.00 43.02 39.67 1u3h s PHE 137 CO 0.00 -0.28 0.62 -0.06 -0.10 0.00 0.00 175.22 175.39 1u3h s PHE 138 N 2.29 3.79 0.26 0.36 0.08 -0.04 -4.92 117.98 119.80 1u3h s PHE 138 Ca 0.20 1.32 -0.30 0.00 0.12 0.00 0.00 56.93 58.28 1u3h s PHE 138 Cb -0.16 -2.54 -0.09 0.00 -0.57 0.00 0.00 43.02 39.66 1u3h s PHE 138 CO 0.09 0.54 1.05 0.14 -0.10 0.00 0.00 175.22 176.94 1u3h s VAL 139 N -1.20 3.68 0.33 -0.44 -7.23 -1.26 -2.11 120.40 112.17 1u3h s VAL 139 Ca 0.32 1.68 0.07 0.00 -1.81 0.00 0.00 61.98 62.25 1u3h s VAL 139 Cb -0.19 -4.07 -0.03 0.00 0.56 0.00 0.00 36.38 32.65 1u3h s VAL 139 CO 0.20 0.40 0.30 0.20 -0.31 0.00 0.00 175.10 175.89 1u3h s ASN 140 N -0.92 5.34 0.30 4.85 0.01 -0.85 -4.88 114.94 118.80 1u3h s ASN 140 Ca 0.44 -0.47 0.02 0.00 -0.71 0.00 0.00 52.86 52.14 1u3h s ASN 140 Cb -0.30 -1.01 0.49 0.00 0.41 0.00 0.00 41.25 40.84 1u3h s ASN 140 CO 0.38 -0.34 1.83 -0.09 -1.51 0.00 0.00 177.10 177.37 1u3h h ARG 141 N 1.24 0.65 -0.16 -0.60 2.43 -1.97 -2.25 114.38 113.72 1u3h h ARG 141 Ca -0.45 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 58.57 1u3h h ARG 141 Cb 1.25 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1u3h h ARG 141 CO 0.58 0.66 0.00 -0.40 -1.51 0.00 0.00 179.97 179.30 1u3h n ASP 142 N -4.25 1.06 0.00 -3.80 5.68 -1.26 -4.90 116.55 109.07 1u3h n ASP 142 Ca 0.02 -1.83 0.00 0.00 -0.50 0.00 0.00 54.79 52.49 1u3h n ASP 142 Cb 0.26 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1u3h n ASP 142 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1u3h n TYR 143 N 0.00 0.00 -1.67 2.11 4.01 -0.85 -5.03 117.16 115.74 1u3h n TYR 143 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 1u3h n TYR 143 Cb 0.19 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 1u3h n TYR 143 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1u3h n SER 144 N -0.11 0.00 -4.07 7.72 3.41 -1.26 -4.82 113.62 114.49 1u3h n SER 144 Ca 0.00 -0.73 -0.09 0.00 -0.26 0.00 0.00 58.87 57.79 1u3h n SER 144 Cb 0.06 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.92 1u3h n SER 144 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1u3h s PHE 145 N 0.20 0.61 0.28 7.33 0.40 0.62 -2.00 117.98 125.42 1u3h s PHE 145 Ca 0.00 -1.03 0.05 0.00 -0.60 0.00 0.00 56.93 55.35 1u3h s PHE 145 Cb 0.00 -0.33 -0.06 0.00 0.51 0.00 0.00 43.02 43.14 1u3h s PHE 145 CO 0.00 -0.52 -0.02 -3.38 0.70 0.00 0.00 175.22 172.00 1u3h s HIS 146 N -3.98 1.89 -0.10 0.36 -3.43 -0.90 0.18 115.29 109.32 1u3h s HIS 146 Ca 0.16 -0.81 -0.30 0.00 -0.80 0.00 0.00 55.06 53.31 1u3h s HIS 146 Cb 0.07 -1.13 0.09 0.00 -1.43 0.00 0.00 32.58 30.17 1u3h s HIS 146 CO -0.03 0.15 0.78 0.21 -2.00 0.00 0.00 174.74 173.85 1u3h s LYS 147 N -3.79 0.91 0.09 -0.38 2.20 -0.43 -0.86 119.74 117.47 1u3h s LYS 147 Ca 0.31 0.28 0.08 0.00 -0.36 0.00 0.00 55.97 56.28 1u3h s LYS 147 Cb 0.06 0.43 -0.03 0.00 -1.51 0.00 0.00 37.83 36.77 1u3h s LYS 147 CO 0.12 -0.27 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.13 1u3h s LEU 148 N -1.03 2.28 0.14 5.43 1.02 -1.26 -1.00 118.68 124.25 1u3h s LEU 148 Ca -0.07 -0.66 0.08 0.00 0.02 0.00 0.00 54.13 53.50 1u3h s LEU 148 Cb -0.01 -0.85 -0.04 0.00 0.02 0.00 0.00 46.19 45.31 1u3h s LEU 148 CO 0.07 0.06 -0.19 -0.55 0.02 0.00 0.00 176.35 175.75 1u3h s SER 149 N -1.79 2.62 0.05 2.29 0.15 -0.27 -0.92 113.70 115.82 1u3h s SER 149 Ca 0.06 -0.80 0.04 0.00 0.70 0.00 0.00 55.95 55.96 1u3h s SER 149 Cb -0.10 -0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.04 1u3h s SER 149 CO 0.04 -0.00 -0.13 -0.31 1.20 0.00 0.00 173.24 174.04 1u3h s TYR 150 N -1.71 1.13 -0.08 3.44 1.51 0.29 -1.23 117.35 120.69 1u3h s TYR 150 Ca 0.12 -0.38 -0.02 0.00 -1.01 0.00 0.00 57.07 55.78 1u3h s TYR 150 Cb -0.07 -0.66 0.03 0.00 -0.11 0.00 0.00 41.96 41.15 1u3h s TYR 150 CO 0.06 0.03 0.03 -1.17 -1.11 0.00 0.00 175.55 173.38 1u3h s LEU 151 N -1.29 0.49 0.39 -1.29 2.96 0.12 -1.60 118.68 118.46 1u3h s LEU 151 Ca -0.01 -0.16 -0.23 0.00 -0.22 0.00 0.00 54.13 53.52 1u3h s LEU 151 Cb -0.08 -0.35 -0.10 0.00 0.50 0.00 0.00 46.19 46.16 1u3h s LEU 151 CO 0.01 -0.24 0.97 0.42 -1.32 0.00 0.00 176.35 176.20 1u3h s THR 152 N 2.03 4.18 0.01 3.68 -4.23 -0.52 0.77 115.64 121.56 1u3h s THR 152 Ca 0.04 1.56 -0.29 0.00 -1.18 0.00 0.00 61.69 61.82 1u3h s THR 152 Cb -0.13 -3.75 0.10 0.00 1.34 0.00 0.00 72.50 70.06 1u3h s THR 152 CO -0.05 -0.10 1.01 0.72 -0.54 0.00 0.00 174.62 175.66 1u3h s PHE 153 N -1.89 -0.21 -0.19 3.99 -0.71 -1.08 -4.89 117.98 113.01 1u3h s PHE 153 Ca 0.58 0.04 -0.04 0.00 -1.04 0.00 0.00 56.93 56.47 1u3h s PHE 153 Cb -0.15 0.57 -0.02 0.00 -1.21 0.00 0.00 43.02 42.21 1u3h s PHE 153 CO 0.19 -0.54 -0.04 0.42 -1.34 0.00 0.00 175.22 173.91 1u3h s ILE 154 N -2.97 3.61 0.13 -4.49 -1.09 -1.26 -1.88 121.20 113.25 1u3h s ILE 154 Ca 0.09 -0.44 -0.31 0.00 -2.23 0.00 0.00 60.65 57.76 1u3h s ILE 154 Cb -0.00 -2.61 -0.09 0.00 -1.58 0.00 0.00 42.46 38.19 1u3h s ILE 154 CO -0.04 0.46 1.45 -2.84 -1.23 0.00 0.00 174.94 172.73 1u3h s PRO 155 N 0.91 4.29 0.07 2.79 0.02 -1.26 -4.89 135.00 136.93 1u3h s PRO 155 Ca -0.00 2.17 0.01 0.00 0.02 0.00 0.00 61.00 63.20 1u3h s PRO 155 Cb -0.15 -3.22 -0.03 0.00 0.02 0.00 0.00 34.50 31.12 1u3h s PRO 155 CO 0.01 -0.49 -0.06 -1.12 -0.33 0.00 0.00 177.00 175.01 1u3h s SER 156 N 1.13 0.89 0.34 2.53 0.01 -1.26 -1.93 113.70 115.41 1u3h s SER 156 Ca 0.66 -0.82 0.17 0.00 1.31 0.00 0.00 55.95 57.27 1u3h s SER 156 Cb -0.39 0.09 0.54 0.00 0.21 0.00 0.00 66.02 66.47 1u3h s SER 156 CO 0.30 -0.39 1.67 0.44 0.41 0.00 0.00 173.24 175.68 1u3h h ASP 157 N 3.60 0.00 -0.57 2.44 3.32 -1.97 -3.11 116.42 120.14 1u3h h ASP 157 Ca -0.35 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.50 1u3h h ASP 157 Cb 1.18 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.61 1u3h h ASP 157 CO 0.56 0.44 0.25 -0.90 -1.72 0.00 0.00 179.24 177.87 1u3h n ASP 158 N -3.52 3.93 -3.90 6.45 5.75 -1.26 -4.91 116.55 119.09 1u3h n ASP 158 Ca -0.00 -2.92 -0.19 0.00 -0.01 0.00 0.00 54.79 51.67 1u3h n ASP 158 Cb 0.56 -0.69 -0.16 0.00 -1.03 0.00 0.00 41.12 39.80 1u3h n ASP 158 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1u3h s ASP 159 N -0.59 0.84 0.12 -1.12 1.11 -1.18 -5.03 116.67 110.83 1u3h s ASP 159 Ca 0.40 -0.12 0.11 0.00 0.18 0.00 0.00 52.55 53.12 1u3h s ASP 159 Cb 0.32 -0.36 -0.04 0.00 1.07 0.00 0.00 42.92 43.91 1u3h s ASP 159 CO 0.09 -0.03 -0.26 -0.63 1.18 0.00 0.00 175.17 175.52 1u3h s ILE 160 N 0.73 2.32 0.16 0.77 1.09 -1.26 -4.52 121.20 120.49 1u3h s ILE 160 Ca -0.09 -1.71 0.05 0.00 -1.10 0.00 0.00 60.65 57.80 1u3h s ILE 160 Cb -0.12 -2.03 -0.04 0.00 -1.06 0.00 0.00 42.46 39.20 1u3h s ILE 160 CO 0.00 0.11 -0.11 -0.31 -0.10 0.00 0.00 174.94 174.53 1u3h s TYR 161 N -1.05 1.35 -0.07 3.97 1.51 0.47 0.86 117.35 124.38 1u3h s TYR 161 Ca 0.14 -0.72 -0.12 0.00 -1.01 0.00 0.00 57.07 55.36 1u3h s TYR 161 Cb -0.10 -0.67 0.02 0.00 -0.11 0.00 0.00 41.96 41.10 1u3h s TYR 161 CO 0.06 0.14 0.29 -0.51 -1.11 0.00 0.00 175.55 174.42 1u3h s ASP 162 N -3.19 -0.24 -0.20 2.29 1.01 -0.51 -0.70 116.67 115.13 1u3h s ASP 162 Ca 0.18 0.35 -0.04 0.00 0.71 0.00 0.00 52.55 53.75 1u3h s ASP 162 Cb 0.02 0.48 -0.02 0.00 1.01 0.00 0.00 42.92 44.41 1u3h s ASP 162 CO 0.02 -0.26 -0.03 0.00 0.21 0.00 0.00 175.17 175.12 1u3h s LYS 164 N 1.15 3.69 -0.13 0.00 2.20 0.12 -0.58 119.74 126.19 1u3h s LYS 164 Ca 0.02 -0.46 -0.01 0.00 -0.36 0.00 0.00 55.97 55.16 1u3h s LYS 164 Cb -0.15 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 1u3h s LYS 164 CO 0.00 -0.14 -0.11 0.08 -0.36 0.00 0.00 175.35 174.83 1u3h s VAL 165 N 1.49 3.28 -0.15 4.02 1.01 -0.47 -0.48 120.40 129.10 1u3h s VAL 165 Ca 0.06 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1u3h s VAL 165 Cb -0.15 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.85 1u3h s VAL 165 CO 0.04 0.52 -0.21 -1.61 0.00 0.00 0.00 175.10 173.83 1u3h s GLU 166 N 0.31 2.99 -0.02 2.72 2.02 0.03 -1.74 118.70 125.00 1u3h s GLU 166 Ca -0.08 -0.84 -0.17 0.00 0.02 0.00 0.00 54.97 53.89 1u3h s GLU 166 Cb -0.15 -2.44 0.03 0.00 0.10 0.00 0.00 34.13 31.67 1u3h s GLU 166 CO 0.05 -0.05 0.37 -1.58 0.02 0.00 0.00 175.26 174.06 1u3h s HIS 167 N 0.90 -0.26 -1.24 1.61 2.46 -1.26 -2.24 115.29 115.26 1u3h s HIS 167 Ca -0.05 0.42 0.05 0.00 0.47 0.00 0.00 55.06 55.95 1u3h s HIS 167 Cb -0.15 0.14 0.24 0.00 -0.13 0.00 0.00 32.58 32.69 1u3h s HIS 167 CO -0.04 -0.42 1.08 0.91 -2.47 0.00 0.00 174.74 173.80 1u3h n TRP 168 N 1.28 0.00 1.13 3.88 8.01 -1.26 -1.24 117.44 129.24 1u3h n TRP 168 Ca -0.21 0.00 0.12 0.00 -1.31 0.00 0.00 57.50 56.10 1u3h n TRP 168 Cb 0.56 -0.38 0.20 0.00 -2.01 0.00 0.00 31.31 29.68 1u3h n TRP 168 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1u3h n GLY 169 N -0.90 0.43 3.63 6.99 0.00 -1.25 -4.89 105.19 109.20 1u3h n GLY 169 Ca 0.02 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 1u3h n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u3h s LEU 170 N -2.15 3.28 0.08 0.99 1.43 -0.37 -4.44 118.68 117.50 1u3h s LEU 170 Ca 0.28 -0.19 0.16 0.00 -1.03 0.00 0.00 54.13 53.35 1u3h s LEU 170 Cb 0.20 -1.96 -0.12 0.00 0.03 0.00 0.00 46.19 44.34 1u3h s LEU 170 CO 0.39 0.23 0.89 -0.08 0.23 0.00 0.00 176.35 178.00 1u3h h GLU 171 N 3.98 0.00 -3.11 1.70 4.57 -1.90 -3.46 114.58 116.37 1u3h h GLU 171 Ca -0.48 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.50 1u3h h GLU 171 Cb 1.17 0.00 -0.29 0.00 -0.16 0.00 0.00 28.75 29.47 1u3h h GLU 171 CO 0.56 0.32 -0.49 -2.00 -1.18 0.00 0.00 179.01 176.22 1u3h s GLU 172 N -2.92 0.20 0.15 1.92 2.56 -1.26 -5.12 118.70 114.23 1u3h s GLU 172 Ca -0.02 0.44 -0.32 0.00 0.00 0.00 0.00 54.97 55.07 1u3h s GLU 172 Cb 0.09 -0.06 -0.17 0.00 2.00 0.00 0.00 34.13 35.98 1u3h s GLU 172 CO 0.81 -0.13 0.83 -2.30 -0.56 0.00 0.00 175.26 173.91 1u3h n PRO 173 N 3.87 0.32 -3.25 4.30 -0.02 -1.26 -4.91 135.00 134.05 1u3h n PRO 173 Ca -0.22 0.11 -0.38 0.00 -2.02 0.00 0.00 63.50 60.99 1u3h n PRO 173 Cb 0.54 -1.37 -0.06 0.00 -0.02 0.00 0.00 33.50 32.59 1u3h n PRO 173 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1u3h s VAL 174 N -0.57 5.14 -0.30 -1.45 1.01 -0.71 -4.93 120.40 118.60 1u3h s VAL 174 Ca 0.73 1.05 -0.06 0.00 0.00 0.00 0.00 61.98 63.70 1u3h s VAL 174 Cb -0.99 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 31.53 1u3h s VAL 174 CO 0.56 0.28 0.07 -0.76 0.00 0.00 0.00 175.10 175.25 1u3h s LEU 175 N 0.86 3.84 -0.36 3.92 1.43 -1.26 -1.37 118.68 125.74 1u3h s LEU 175 Ca 0.28 -0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 52.47 1u3h s LEU 175 Cb -0.16 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1u3h s LEU 175 CO 0.11 -0.20 0.32 -0.75 0.23 0.00 0.00 176.35 176.07 1u3h s LYS 176 N 1.47 3.44 0.30 1.70 2.47 0.26 -4.88 119.74 124.50 1u3h s LYS 176 Ca 0.02 -0.59 -0.15 0.00 -1.56 0.00 0.00 55.97 53.69 1u3h s LYS 176 Cb -0.17 -3.84 -0.09 0.00 -1.46 0.00 0.00 37.83 32.27 1u3h s LYS 176 CO 0.02 -0.55 0.73 -1.58 0.16 0.00 0.00 175.35 174.13 1u3h s HIS 177 N 1.89 3.41 -0.18 4.03 5.65 -1.26 0.15 115.29 128.98 1u3h s HIS 177 Ca 0.09 1.23 -0.24 0.00 0.25 0.00 0.00 55.06 56.39 1u3h s HIS 177 Cb -0.17 -2.54 0.06 0.00 -1.18 0.00 0.00 32.58 28.75 1u3h s HIS 177 CO 0.11 0.14 0.63 -0.46 -0.65 0.00 0.00 174.74 174.51 1u3h s TRP 178 N -1.91 -0.66 -0.16 3.88 -0.00 0.13 -4.89 118.94 115.32 1u3h s TRP 178 Ca 0.52 1.49 -0.24 0.00 -0.00 0.00 0.00 56.10 57.87 1u3h s TRP 178 Cb -0.11 0.27 0.06 0.00 -0.00 0.00 0.00 33.47 33.69 1u3h s TRP 178 CO 0.18 -0.40 0.62 -1.83 -0.00 0.00 0.00 176.95 175.52 1u3h s GLU 179 N -0.12 0.83 -0.22 5.86 -1.05 -1.26 -0.40 118.70 122.34 1u3h s GLU 179 Ca -0.03 0.61 -0.36 0.00 -0.15 0.00 0.00 54.97 55.03 1u3h s GLU 179 Cb -0.03 0.40 -0.13 0.00 -0.44 0.00 0.00 34.13 33.93 1u3h s GLU 179 CO 0.03 -0.17 1.93 -0.35 0.95 0.00 0.00 175.26 177.66 1u3h n PRO 180 N 2.07 1.58 0.00 -4.83 -0.04 -1.26 -5.06 135.00 127.45 1u3h n PRO 180 Ca -0.16 0.55 0.15 0.00 -0.04 0.00 0.00 63.50 63.99 1u3h n PRO 180 Cb 0.56 -2.45 0.68 0.00 -0.04 0.00 0.00 33.50 32.25 1u3h n PRO 180 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55