#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2p s THR 2 N 0.00 4.08 0.03 0.00 2.01 -0.72 -4.92 115.64 116.13 3h2p s THR 2 Ca 0.00 1.92 0.03 0.00 0.31 0.00 0.00 61.69 63.95 3h2p s THR 2 Cb 0.00 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 3h2p s THR 2 CO 0.00 0.39 -0.10 -0.54 -0.69 0.00 0.00 174.62 173.68 3h2p s LYS 3 N -0.73 0.66 0.14 4.92 1.02 -1.26 -0.97 119.74 123.52 3h2p s LYS 3 Ca 0.45 -0.66 -0.04 0.00 0.02 0.00 0.00 55.97 55.74 3h2p s LYS 3 Cb -0.27 -0.56 -0.03 0.00 -0.52 0.00 0.00 37.83 36.45 3h2p s LYS 3 CO 0.33 0.13 0.13 0.00 -0.92 0.00 0.00 175.35 175.02 3h2p s ALA 4 N -0.96 0.55 0.05 5.17 0.00 -0.38 -1.71 121.76 124.48 3h2p s ALA 4 Ca -0.03 -1.26 -0.13 0.00 0.00 0.00 0.00 51.96 50.54 3h2p s ALA 4 Cb -0.08 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.91 3h2p s ALA 4 CO 0.01 -0.54 0.28 0.54 0.00 0.00 0.00 175.76 176.05 3h2p s VAL 5 N -4.02 0.09 -0.10 0.00 0.11 0.11 -0.56 120.40 116.04 3h2p s VAL 5 Ca 0.21 -0.73 -0.05 0.00 -2.93 0.00 0.00 61.98 58.48 3h2p s VAL 5 Cb 0.06 -0.96 0.05 0.00 -1.53 0.00 0.00 36.38 34.00 3h2p s VAL 5 CO 0.01 -0.40 0.23 0.00 -3.33 0.00 0.00 175.10 171.60 3h2p s VAL 7 N 1.27 5.06 -0.08 0.00 1.01 -1.26 -0.93 120.40 125.47 3h2p s VAL 7 Ca -0.09 -0.30 -0.25 0.00 0.00 0.00 0.00 61.98 61.34 3h2p s VAL 7 Cb -0.11 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 3h2p s VAL 7 CO -0.08 0.00 0.76 -0.76 0.00 0.00 0.00 175.10 175.02 3h2p s LEU 8 N 1.68 4.30 0.03 3.92 1.43 0.41 -3.90 118.68 126.56 3h2p s LEU 8 Ca 0.05 1.24 -0.01 0.00 -1.03 0.00 0.00 54.13 54.39 3h2p s LEU 8 Cb -0.17 -3.17 -0.02 0.00 0.03 0.00 0.00 46.19 42.85 3h2p s LEU 8 CO 0.09 -0.19 -0.02 -0.54 0.23 0.00 0.00 176.35 175.93 3h2p s LYS 9 N 1.08 0.41 0.00 1.70 1.02 -0.28 -2.30 119.74 121.36 3h2p s LYS 9 Ca 0.39 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.61 3h2p s LYS 9 Cb -0.18 0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.28 3h2p s LYS 9 CO 0.18 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.95 3h2p n GLY 10 N 1.15 2.82 0.24 -3.33 0.00 -1.23 -1.11 105.19 103.73 3h2p n GLY 10 Ca -0.21 -1.23 0.14 0.00 0.00 0.00 0.00 46.02 44.72 3h2p n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h2p h ASP 11 N 0.00 0.00 0.00 1.61 3.32 -1.90 -3.46 116.42 115.98 3h2p h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h2p h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3h2p h ASP 11 CO 0.00 0.05 0.00 0.61 -1.72 0.00 0.00 179.24 178.18 3h2p n GLY 12 N 0.56 5.04 0.08 2.75 0.00 -1.26 -5.02 105.19 107.34 3h2p n GLY 12 Ca 0.02 -1.62 0.14 0.00 0.00 0.00 0.00 46.02 44.56 3h2p n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h2p n PRO 13 N 0.00 0.53 -2.53 1.61 -0.04 -1.26 -4.88 135.00 128.43 3h2p n PRO 13 Ca 0.00 -0.17 -0.42 0.00 -0.04 0.00 0.00 63.50 62.87 3h2p n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 3h2p n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3h2p s VAL 14 N -2.59 4.40 0.02 0.52 1.01 -1.26 -4.15 120.40 118.36 3h2p s VAL 14 Ca 0.26 1.71 -0.24 0.00 0.00 0.00 0.00 61.98 63.71 3h2p s VAL 14 Cb 0.20 -4.10 0.05 0.00 0.00 0.00 0.00 36.38 32.53 3h2p s VAL 14 CO 0.50 0.03 0.55 0.00 0.00 0.00 0.00 175.10 176.18 3h2p s GLN 15 N 1.90 1.02 0.03 2.72 -2.07 -0.89 -3.51 119.66 118.85 3h2p s GLN 15 Ca 0.54 -0.10 -0.29 0.00 -1.82 0.00 0.00 55.36 53.69 3h2p s GLN 15 Cb -0.24 0.47 0.10 0.00 -1.09 0.00 0.00 33.01 32.25 3h2p s GLN 15 CO 0.23 -0.35 1.14 0.20 -1.32 0.00 0.00 175.29 175.18 3h2p s GLY 16 N -1.72 -0.34 -0.10 2.60 0.00 -0.97 -0.17 107.32 106.61 3h2p s GLY 16 Ca -0.07 0.59 0.01 0.00 0.00 0.00 0.00 44.72 45.25 3h2p s GLY 16 CO 0.02 0.13 -0.12 -0.42 0.00 0.00 0.00 173.10 172.70 3h2p s ILE 17 N -2.78 1.28 -0.09 0.90 1.01 -0.97 -0.44 121.20 120.10 3h2p s ILE 17 Ca 0.12 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.31 3h2p s ILE 17 Cb 0.02 -1.20 0.00 0.00 0.01 0.00 0.00 42.46 41.29 3h2p s ILE 17 CO -0.02 0.40 -0.23 -0.63 0.00 0.00 0.00 174.94 174.46 3h2p s ILE 18 N 1.09 1.94 0.08 2.92 -1.09 -0.10 -2.54 121.20 123.50 3h2p s ILE 18 Ca -0.06 -0.95 0.04 0.00 -2.23 0.00 0.00 60.65 57.45 3h2p s ILE 18 Cb -0.14 -1.68 -0.04 0.00 -1.58 0.00 0.00 42.46 39.02 3h2p s ILE 18 CO -0.02 0.53 0.06 0.20 -1.23 0.00 0.00 174.94 174.48 3h2p s ASN 19 N 0.34 5.38 0.00 3.58 0.01 0.15 -0.73 114.94 123.67 3h2p s ASN 19 Ca -0.17 -0.06 0.04 0.00 -0.71 0.00 0.00 52.86 51.96 3h2p s ASN 19 Cb -0.17 -1.40 -0.01 0.00 0.41 0.00 0.00 41.25 40.07 3h2p s ASN 19 CO 0.08 0.17 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.35 3h2p s PHE 20 N -1.36 1.17 -0.07 2.20 0.08 0.28 -1.30 117.98 118.98 3h2p s PHE 20 Ca 0.28 -0.25 -0.04 0.00 0.12 0.00 0.00 56.93 57.05 3h2p s PHE 20 Cb -0.12 -0.74 0.03 0.00 -0.57 0.00 0.00 43.02 41.62 3h2p s PHE 20 CO 0.21 -0.01 0.16 -2.00 -0.10 0.00 0.00 175.22 173.48 3h2p s GLU 21 N -0.48 0.13 -0.14 0.44 2.12 -0.22 -1.25 118.70 119.29 3h2p s GLU 21 Ca 0.04 0.34 -0.02 0.00 0.36 0.00 0.00 54.97 55.69 3h2p s GLU 21 Cb -0.06 -0.10 0.04 0.00 0.26 0.00 0.00 34.13 34.28 3h2p s GLU 21 CO -0.00 -0.12 -0.00 -1.14 -0.54 0.00 0.00 175.26 173.46 3h2p s GLN 22 N 0.86 0.84 0.18 4.30 0.74 -0.14 -0.38 119.66 126.06 3h2p s GLN 22 Ca -0.06 -0.25 0.06 0.00 0.05 0.00 0.00 55.36 55.16 3h2p s GLN 22 Cb -0.08 -1.66 0.03 0.00 1.10 0.00 0.00 33.01 32.39 3h2p s GLN 22 CO -0.04 -0.46 1.41 0.87 -0.55 0.00 0.00 175.29 176.52 3h2p h LYS 23 N 8.24 0.09 -3.76 1.67 1.57 -1.84 -1.90 116.57 120.64 3h2p h LYS 23 Ca -0.20 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.35 3h2p h LYS 23 Cb 1.12 0.03 -0.19 0.00 0.08 0.00 0.00 32.23 33.27 3h2p h LYS 23 CO 0.33 0.88 -0.53 -1.83 -0.57 0.00 0.00 179.45 177.72 3h2p s GLU 24 N -3.17 0.54 0.44 3.15 -1.05 -1.26 -4.70 118.70 112.65 3h2p s GLU 24 Ca -0.01 -0.67 0.13 0.00 -0.15 0.00 0.00 54.97 54.27 3h2p s GLU 24 Cb 0.11 0.21 0.99 0.00 -0.44 0.00 0.00 34.13 35.00 3h2p s GLU 24 CO 0.81 -0.13 2.00 0.77 0.95 0.00 0.00 175.26 179.66 3h2p h SER 25 N 3.88 0.05 -0.61 0.83 0.02 -1.98 -0.17 113.55 115.57 3h2p h SER 25 Ca -0.32 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3h2p h SER 25 Cb 1.19 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3h2p h SER 25 CO 0.48 0.20 0.00 -0.46 -1.14 0.00 0.00 176.83 175.91 3h2p n ASN 26 N -4.34 5.06 -4.94 3.07 6.94 -1.26 -4.89 115.26 114.91 3h2p n ASN 26 Ca -0.02 -2.62 -0.21 0.00 -0.02 0.00 0.00 54.58 51.72 3h2p n ASN 26 Cb 0.23 -0.62 0.00 0.00 -2.36 0.00 0.00 39.78 37.03 3h2p n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3h2p s GLY 27 N -0.83 2.06 0.69 4.83 0.00 -0.08 -5.10 107.32 108.89 3h2p s GLY 27 Ca 0.52 -1.78 -0.15 0.00 0.00 0.00 0.00 44.72 43.30 3h2p s GLY 27 CO 0.21 -1.70 1.14 2.56 0.00 0.00 0.00 173.10 175.31 3h2p s PRO 28 N -4.31 2.54 -0.22 2.90 0.04 -1.26 -4.87 135.00 129.82 3h2p s PRO 28 Ca 0.50 1.51 -0.08 0.00 0.04 0.00 0.00 61.00 62.97 3h2p s PRO 28 Cb -0.05 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 3h2p s PRO 28 CO 0.30 -1.47 0.09 0.08 0.04 0.00 0.00 177.00 176.04 3h2p s VAL 29 N -2.24 4.79 -0.00 -0.36 1.01 0.96 -4.38 120.40 120.18 3h2p s VAL 29 Ca 0.69 -0.02 -0.26 0.00 0.00 0.00 0.00 61.98 62.39 3h2p s VAL 29 Cb -0.23 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 3h2p s VAL 29 CO 0.43 0.39 0.81 -0.54 0.00 0.00 0.00 175.10 176.19 3h2p s LYS 30 N 0.97 4.51 -0.12 2.72 1.02 0.49 -1.03 119.74 128.30 3h2p s LYS 30 Ca 0.05 1.11 0.00 0.00 0.02 0.00 0.00 55.97 57.16 3h2p s LYS 30 Cb -0.14 -3.42 0.02 0.00 -0.52 0.00 0.00 37.83 33.78 3h2p s LYS 30 CO 0.03 0.12 -0.12 0.08 -0.92 0.00 0.00 175.35 174.54 3h2p s VAL 31 N 0.52 1.30 0.02 3.17 1.01 0.80 -1.06 120.40 126.16 3h2p s VAL 31 Ca 0.42 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 3h2p s VAL 31 Cb -0.20 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 34.97 3h2p s VAL 31 CO 0.23 0.41 0.34 -1.66 0.00 0.00 0.00 175.10 174.42 3h2p s TRP 32 N 1.39 -0.18 -5.00 5.22 -2.14 -0.42 -0.20 118.94 117.61 3h2p s TRP 32 Ca 0.01 0.16 0.00 0.00 2.66 0.00 0.00 56.10 58.92 3h2p s TRP 32 Cb -0.13 0.13 0.00 0.00 -3.10 0.00 0.00 33.47 30.37 3h2p s TRP 32 CO -0.07 -0.49 0.00 0.41 -2.66 0.00 0.00 176.95 174.15 3h2p n GLY 33 N 0.78 -0.29 3.23 3.67 0.00 -0.68 0.32 105.19 112.22 3h2p n GLY 33 Ca -0.19 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 3h2p n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h2p s SER 34 N -4.00 -0.04 -0.03 1.61 1.04 -1.05 -0.82 113.70 110.41 3h2p s SER 34 Ca 0.00 -0.35 0.03 0.00 0.48 0.00 0.00 55.95 56.11 3h2p s SER 34 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3h2p s SER 34 CO 0.00 -0.64 -0.11 -0.63 0.98 0.00 0.00 173.24 172.84 3h2p s ILE 35 N -2.92 0.99 0.35 -1.02 1.01 -0.12 -2.30 121.20 117.20 3h2p s ILE 35 Ca -0.02 -0.47 0.09 0.00 0.00 0.00 0.00 60.65 60.25 3h2p s ILE 35 Cb 0.00 -0.88 -0.06 0.00 0.01 0.00 0.00 42.46 41.54 3h2p s ILE 35 CO -0.06 0.30 0.02 -0.54 0.00 0.00 0.00 174.94 174.66 3h2p s LYS 36 N 0.21 2.07 0.00 2.79 1.02 0.76 0.13 119.74 126.72 3h2p s LYS 36 Ca -0.05 -1.78 0.00 0.00 0.02 0.00 0.00 55.97 54.16 3h2p s LYS 36 Cb -0.10 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 3h2p s LYS 36 CO 0.01 0.11 0.00 0.41 -0.92 0.00 0.00 175.35 174.96 3h2p n GLY 37 N -0.96 0.58 3.92 -3.33 0.00 -1.00 -2.09 105.19 102.30 3h2p n GLY 37 Ca -0.04 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 3h2p n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h2p s LEU 38 N 0.00 4.13 0.40 0.99 1.43 -0.71 -4.30 118.68 120.62 3h2p s LEU 38 Ca 0.00 0.54 -0.26 0.00 -1.03 0.00 0.00 54.13 53.39 3h2p s LEU 38 Cb 0.00 -3.34 -0.08 0.00 0.03 0.00 0.00 46.19 42.79 3h2p s LEU 38 CO 0.00 -0.14 1.24 0.42 0.23 0.00 0.00 176.35 178.10 3h2p s THR 39 N -2.01 2.86 0.26 5.49 -4.23 -1.26 -4.07 115.64 112.67 3h2p s THR 39 Ca 0.41 0.75 -0.31 0.00 -1.18 0.00 0.00 61.69 61.36 3h2p s THR 39 Cb -0.11 -3.43 -0.13 0.00 1.34 0.00 0.00 72.50 70.17 3h2p s THR 39 CO 0.30 0.09 1.40 1.21 -0.54 0.00 0.00 174.62 177.08 3h2p n GLU 40 N 0.10 2.08 0.00 3.99 2.13 -1.26 -4.57 120.64 123.12 3h2p n GLU 40 Ca 0.04 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.60 3h2p n GLU 40 Cb 0.45 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.77 3h2p n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h2p n GLY 41 N 1.94 -0.15 3.80 8.31 0.00 -0.60 -4.90 105.19 113.59 3h2p n GLY 41 Ca 0.10 -2.21 -0.38 0.00 0.00 0.00 0.00 46.02 43.54 3h2p n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h2p s LEU 42 N 0.00 4.46 -0.05 0.99 1.43 -1.26 -0.90 118.68 123.36 3h2p s LEU 42 Ca 0.00 1.45 -0.02 0.00 -1.03 0.00 0.00 54.13 54.53 3h2p s LEU 42 Cb 0.00 -3.34 0.04 0.00 0.03 0.00 0.00 46.19 42.92 3h2p s LEU 42 CO 0.00 0.14 0.09 -1.00 0.23 0.00 0.00 176.35 175.82 3h2p s HIS 43 N -1.31 -0.07 0.43 0.29 3.76 0.31 -3.56 115.29 115.14 3h2p s HIS 43 Ca 0.38 0.33 -0.25 0.00 -0.15 0.00 0.00 55.06 55.36 3h2p s HIS 43 Cb -0.19 -0.20 -0.09 0.00 1.11 0.00 0.00 32.58 33.21 3h2p s HIS 43 CO 0.22 -0.15 1.34 0.41 -0.85 0.00 0.00 174.74 175.71 3h2p n GLY 44 N 4.40 0.74 2.58 -2.22 0.00 0.05 -0.76 105.19 109.97 3h2p n GLY 44 Ca -0.23 0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 3h2p n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3h2p s PHE 45 N -1.19 0.27 0.04 1.61 5.36 -0.28 -0.37 117.98 123.42 3h2p s PHE 45 Ca 0.61 -0.58 0.01 0.00 -0.96 0.00 0.00 56.93 56.01 3h2p s PHE 45 Cb -0.48 -0.79 -0.02 0.00 -0.34 0.00 0.00 43.02 41.38 3h2p s PHE 45 CO 0.58 -0.65 -0.06 -1.01 -1.46 0.00 0.00 175.22 172.62 3h2p s HIS 46 N 2.11 0.51 -0.16 10.12 3.76 -0.46 -1.98 115.29 129.19 3h2p s HIS 46 Ca 0.05 -0.55 -0.19 0.00 -0.15 0.00 0.00 55.06 54.22 3h2p s HIS 46 Cb -0.16 -0.32 -0.03 0.00 1.11 0.00 0.00 32.58 33.17 3h2p s HIS 46 CO -0.21 -0.14 0.53 0.08 -0.85 0.00 0.00 174.74 174.15 3h2p s VAL 47 N -1.61 5.12 0.28 -0.90 1.01 0.48 -0.33 120.40 124.45 3h2p s VAL 47 Ca -0.11 1.02 0.06 0.00 0.00 0.00 0.00 61.98 62.95 3h2p s VAL 47 Cb -0.09 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3h2p s VAL 47 CO -0.01 0.23 0.32 -1.00 0.00 0.00 0.00 175.10 174.64 3h2p s HIS 48 N 1.26 3.21 0.14 5.22 3.76 0.13 -0.52 115.29 128.48 3h2p s HIS 48 Ca 0.26 -0.13 -0.14 0.00 -0.15 0.00 0.00 55.06 54.91 3h2p s HIS 48 Cb -0.16 -1.64 0.00 0.00 1.11 0.00 0.00 32.58 31.90 3h2p s HIS 48 CO 0.11 0.34 1.61 1.49 -0.85 0.00 0.00 174.74 177.44 3h2p h GLU 49 N 1.22 0.76 -5.92 1.40 4.81 -0.66 -2.79 114.58 113.39 3h2p h GLU 49 Ca -0.49 -0.21 -0.67 0.00 -0.13 0.00 0.00 59.36 57.86 3h2p h GLU 49 Cb 1.24 -0.08 -0.17 0.00 0.63 0.00 0.00 28.75 30.37 3h2p h GLU 49 CO 0.59 0.79 -0.65 -0.06 -0.73 0.00 0.00 179.01 178.95 3h2p s PHE 50 N -5.14 3.07 -0.27 0.92 0.08 -0.09 -4.66 117.98 111.89 3h2p s PHE 50 Ca -0.13 0.06 -0.05 0.00 0.12 0.00 0.00 56.93 56.94 3h2p s PHE 50 Cb 0.11 -1.79 -0.06 0.00 -0.57 0.00 0.00 43.02 40.70 3h2p s PHE 50 CO 0.79 0.34 3.08 0.41 -0.10 0.00 0.00 175.22 179.75 3h2p n GLY 51 N 2.40 3.80 3.20 4.36 0.00 -1.02 -3.63 105.19 114.29 3h2p n GLY 51 Ca -0.18 -1.58 -0.36 0.00 0.00 0.00 0.00 46.02 43.89 3h2p n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h2p s ASP 52 N 1.01 5.13 -0.21 1.61 -1.08 -1.26 -4.95 116.67 116.92 3h2p s ASP 52 Ca 0.61 -1.38 0.15 0.00 -0.52 0.00 0.00 52.55 51.41 3h2p s ASP 52 Cb 0.35 -1.80 0.57 0.00 -1.46 0.00 0.00 42.92 40.59 3h2p s ASP 52 CO -0.13 -0.35 1.49 0.59 0.52 0.00 0.00 175.17 177.29 3h2p n ASN 53 N 4.69 4.01 0.25 -0.34 4.13 -1.26 -3.39 115.26 123.35 3h2p n ASN 53 Ca -0.11 -3.10 0.09 0.00 1.68 0.00 0.00 54.58 53.14 3h2p n ASN 53 Cb 0.43 -0.58 0.65 0.00 -1.54 0.00 0.00 39.78 38.74 3h2p n ASN 53 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 3h2p h THR 54 N 2.00 0.89 -0.88 3.41 1.35 -1.92 -1.75 112.91 116.01 3h2p h THR 54 Ca 0.04 -0.34 -0.56 0.00 -0.55 0.00 0.00 66.41 65.00 3h2p h THR 54 Cb 1.58 1.19 -0.42 0.00 -1.73 0.00 0.00 68.15 68.77 3h2p h THR 54 CO 0.30 0.09 -0.76 0.00 -0.25 0.00 0.00 175.52 174.90 3h2p n ALA 55 N -2.44 5.06 -0.96 6.62 0.00 -1.26 -5.05 120.51 122.48 3h2p n ALA 55 Ca -0.03 -3.87 0.00 0.00 0.00 0.00 0.00 53.44 49.55 3h2p n ALA 55 Cb 0.17 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.23 3h2p n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2p n GLY 56 N -0.68 3.16 0.12 0.00 0.00 -0.66 -2.04 105.19 105.08 3h2p n GLY 56 Ca 0.44 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 46.32 3h2p n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2p h THR 58 N 0.00 0.75 -0.35 0.00 2.02 -1.75 -2.79 112.91 110.78 3h2p h THR 58 Ca 0.00 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.36 3h2p h THR 58 Cb 0.68 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 3h2p h THR 58 CO 0.00 0.20 0.00 -1.54 0.37 0.00 0.00 175.52 174.55 3h2p n SER 59 N -3.72 2.71 0.01 4.18 3.41 -1.23 -4.30 113.62 114.67 3h2p n SER 59 Ca -0.01 -1.90 0.11 0.00 -0.26 0.00 0.00 58.87 56.80 3h2p n SER 59 Cb 0.31 -0.23 0.47 0.00 -0.26 0.00 0.00 64.21 64.51 3h2p n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h2p n ALA 60 N 0.99 2.01 -0.18 7.33 0.00 -1.06 -4.48 120.51 125.14 3h2p n ALA 60 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3h2p n ALA 60 Cb 0.47 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3h2p n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2p n GLY 61 N 0.78 -1.54 3.92 0.00 0.00 -1.26 -0.91 105.19 106.18 3h2p n GLY 61 Ca 0.05 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 3h2p n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h2p s PRO 62 N 0.00 0.93 0.21 1.61 0.05 -1.26 -4.59 135.00 131.95 3h2p s PRO 62 Ca 0.00 -0.27 -0.31 0.00 0.05 0.00 0.00 61.00 60.47 3h2p s PRO 62 Cb 0.00 -1.87 -0.15 0.00 0.05 0.00 0.00 34.50 32.53 3h2p s PRO 62 CO 0.00 -2.24 1.16 0.72 0.05 0.00 0.00 177.00 176.69 3h2p n HIS 63 N -3.68 1.41 -2.02 0.56 8.25 -1.26 -0.60 115.22 117.88 3h2p n HIS 63 Ca 0.13 0.65 -0.42 0.00 -0.26 0.00 0.00 57.72 57.82 3h2p n HIS 63 Cb 0.60 -2.30 -0.03 0.00 1.12 0.00 0.00 29.99 29.38 3h2p n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3h2p s PHE 64 N -0.39 2.50 -0.47 4.41 5.36 0.32 -4.55 117.98 125.17 3h2p s PHE 64 Ca 0.69 0.46 0.07 0.00 -0.96 0.00 0.00 56.93 57.19 3h2p s PHE 64 Cb -0.78 -3.87 0.19 0.00 -0.34 0.00 0.00 43.02 38.21 3h2p s PHE 64 CO 0.54 -3.44 0.69 1.21 -1.46 0.00 0.00 175.22 172.76 3h2p s ASN 65 N 2.35 -1.47 0.00 6.13 2.47 -1.26 -0.65 114.94 122.51 3h2p s ASN 65 Ca 0.71 -1.28 0.12 0.00 0.42 0.00 0.00 52.86 52.83 3h2p s ASN 65 Cb -0.37 1.91 0.53 0.00 -1.45 0.00 0.00 41.25 41.88 3h2p s ASN 65 CO 0.30 -0.10 1.38 -0.81 -3.72 0.00 0.00 177.10 174.15 3h2p n PRO 66 N 3.62 0.02 0.00 0.43 -0.04 -1.26 -4.96 135.00 132.80 3h2p n PRO 66 Ca 0.15 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 3h2p n PRO 66 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 3h2p n PRO 66 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3h2p n ARG 79 N -1.48 0.00 -2.35 0.54 1.85 -1.26 -5.01 116.66 108.96 3h2p n ARG 79 Ca 0.03 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.50 3h2p n ARG 79 Cb 0.14 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.52 3h2p n ARG 79 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3h2p s HIS 80 N 0.00 3.12 0.27 2.89 3.76 -1.26 -4.93 115.29 119.14 3h2p s HIS 80 Ca 0.00 1.58 -0.00 0.00 -0.15 0.00 0.00 55.06 56.48 3h2p s HIS 80 Cb 0.00 -3.34 0.51 0.00 1.11 0.00 0.00 32.58 30.86 3h2p s HIS 80 CO 0.00 -1.16 1.83 0.28 -0.85 0.00 0.00 174.74 174.84 3h2p h VAL 81 N 2.32 0.93 0.00 -0.90 2.07 -1.91 -1.85 116.25 116.90 3h2p h VAL 81 Ca -0.49 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3h2p h VAL 81 Cb 1.23 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3h2p h VAL 81 CO 0.63 0.18 0.00 0.61 0.02 0.00 0.00 177.57 179.00 3h2p n GLY 82 N -1.34 -0.94 3.52 2.17 0.00 0.18 -4.40 105.19 104.38 3h2p n GLY 82 Ca 0.17 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3h2p n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h2p s ASP 83 N -2.30 6.18 -0.12 1.61 2.15 -0.70 -0.38 116.67 123.10 3h2p s ASP 83 Ca 0.30 -0.64 0.14 0.00 0.43 0.00 0.00 52.55 52.77 3h2p s ASP 83 Cb 0.17 -2.52 0.61 0.00 -0.30 0.00 0.00 42.92 40.87 3h2p s ASP 83 CO 0.33 -1.72 1.47 0.18 -0.17 0.00 0.00 175.17 175.27 3h2p n LEU 84 N 8.90 4.21 0.00 -1.34 4.77 -0.84 -4.93 117.00 127.78 3h2p n LEU 84 Ca 0.02 -2.13 0.00 0.00 -0.03 0.00 0.00 56.01 53.88 3h2p n LEU 84 Cb 0.48 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3h2p n LEU 84 CO 0.69 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.99 3h2p n GLY 85 N 0.83 0.14 3.32 -0.72 0.00 -1.22 -4.83 105.19 102.73 3h2p n GLY 85 Ca 0.21 -1.02 -0.27 0.00 0.00 0.00 0.00 46.02 44.94 3h2p n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h2p s ASN 86 N -4.00 2.93 0.22 1.61 0.01 -1.26 -1.12 114.94 113.32 3h2p s ASN 86 Ca 0.00 -0.64 0.08 0.00 -0.71 0.00 0.00 52.86 51.58 3h2p s ASN 86 Cb 0.00 -0.22 -0.04 0.00 0.41 0.00 0.00 41.25 41.40 3h2p s ASN 86 CO 0.00 0.17 0.08 0.68 -1.51 0.00 0.00 177.10 176.52 3h2p s VAL 87 N -0.95 3.97 -0.14 1.60 -7.23 0.06 -4.89 120.40 112.81 3h2p s VAL 87 Ca 0.10 -1.50 0.02 0.00 -1.81 0.00 0.00 61.98 58.79 3h2p s VAL 87 Cb -0.10 -3.08 0.01 0.00 0.56 0.00 0.00 36.38 33.77 3h2p s VAL 87 CO 0.04 -0.25 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.48 3h2p s THR 88 N -2.01 2.19 0.02 5.32 2.01 -1.26 -0.53 115.64 121.37 3h2p s THR 88 Ca 0.31 -0.93 -0.10 0.00 0.31 0.00 0.00 61.69 61.27 3h2p s THR 88 Cb -0.08 -1.89 -0.05 0.00 0.01 0.00 0.00 72.50 70.49 3h2p s THR 88 CO 0.21 0.54 0.34 0.00 -0.69 0.00 0.00 174.62 175.03 3h2p s ALA 89 N 0.82 3.76 0.97 7.40 0.00 -0.08 -3.95 121.76 130.69 3h2p s ALA 89 Ca -0.06 -0.40 -0.00 0.00 0.00 0.00 0.00 51.96 51.49 3h2p s ALA 89 Cb -0.15 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.74 3h2p s ALA 89 CO -0.02 0.56 0.01 -0.40 0.00 0.00 0.00 175.76 175.92 3h2p n ASP 90 N 1.35 0.00 0.14 0.00 5.68 0.08 -1.55 116.55 122.24 3h2p n ASP 90 Ca -0.12 -1.01 0.12 0.00 -0.50 0.00 0.00 54.79 53.29 3h2p n ASP 90 Cb 0.53 -0.01 0.50 0.00 -1.14 0.00 0.00 41.12 41.00 3h2p n ASP 90 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3h2p n LYS 91 N -1.03 0.20 -0.18 0.11 2.85 -1.26 -1.27 118.16 117.57 3h2p n LYS 91 Ca 0.00 0.44 0.12 0.00 -1.05 0.00 0.00 58.31 57.82 3h2p n LYS 91 Cb 0.01 -1.89 0.24 0.00 -0.65 0.00 0.00 35.03 32.74 3h2p n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3h2p n ASP 92 N -2.26 3.19 0.00 -5.58 8.00 -1.26 -4.92 116.55 113.71 3h2p n ASP 92 Ca 0.02 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.56 3h2p n ASP 92 Cb 0.22 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 3h2p n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h2p n GLY 93 N 1.45 0.49 3.54 0.44 0.00 -0.40 -4.68 105.19 106.03 3h2p n GLY 93 Ca 0.19 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 3h2p n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h2p s VAL 94 N -2.00 4.83 -0.26 1.61 1.01 -1.26 -1.74 120.40 122.59 3h2p s VAL 94 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 3h2p s VAL 94 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 3h2p s VAL 94 CO 0.00 0.32 0.14 0.00 0.00 0.00 0.00 175.10 175.55 3h2p s ALA 95 N 1.49 3.37 0.14 5.51 0.00 0.12 -0.75 121.76 131.64 3h2p s ALA 95 Ca 0.06 -1.10 -0.30 0.00 0.00 0.00 0.00 51.96 50.63 3h2p s ALA 95 Cb -0.15 -2.29 -0.07 0.00 0.00 0.00 0.00 23.12 20.61 3h2p s ALA 95 CO 0.06 -0.50 0.96 0.34 0.00 0.00 0.00 175.76 176.62 3h2p s ASP 96 N 1.66 7.53 -0.19 0.00 2.15 -1.25 -0.94 116.67 125.62 3h2p s ASP 96 Ca 0.07 1.83 -0.01 0.00 0.43 0.00 0.00 52.55 54.86 3h2p s ASP 96 Cb -0.15 -2.59 -0.00 0.00 -0.30 0.00 0.00 42.92 39.87 3h2p s ASP 96 CO 0.08 -0.02 -0.11 -0.69 -0.17 0.00 0.00 175.17 174.25 3h2p s VAL 97 N -0.27 2.87 -0.32 1.11 1.01 0.00 -4.63 120.40 120.17 3h2p s VAL 97 Ca 0.46 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.76 3h2p s VAL 97 Cb -0.24 -2.26 0.14 0.00 0.00 0.00 0.00 36.38 34.02 3h2p s VAL 97 CO 0.30 0.48 0.29 -0.55 0.00 0.00 0.00 175.10 175.63 3h2p s SER 98 N 1.17 1.89 0.00 3.32 0.15 -1.25 -1.69 113.70 117.29 3h2p s SER 98 Ca 0.02 -1.24 0.05 0.00 0.70 0.00 0.00 55.95 55.48 3h2p s SER 98 Cb -0.14 0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 64.47 3h2p s SER 98 CO -0.04 -0.35 -0.16 -0.63 1.20 0.00 0.00 173.24 173.26 3h2p s ILE 99 N 1.90 1.27 -0.16 6.45 1.01 0.71 -5.01 121.20 127.37 3h2p s ILE 99 Ca 0.13 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 60.01 3h2p s ILE 99 Cb -0.16 -1.08 0.02 0.00 0.01 0.00 0.00 42.46 41.25 3h2p s ILE 99 CO -0.20 0.28 -0.21 -0.70 0.00 0.00 0.00 174.94 174.11 3h2p s GLU 100 N -0.58 3.01 -0.04 2.79 2.12 -1.26 -0.14 118.70 124.60 3h2p s GLU 100 Ca 0.06 -0.84 0.03 0.00 0.36 0.00 0.00 54.97 54.58 3h2p s GLU 100 Cb -0.07 -2.52 0.00 0.00 0.26 0.00 0.00 34.13 31.81 3h2p s GLU 100 CO -0.00 -0.13 -0.12 0.34 -0.54 0.00 0.00 175.26 174.81 3h2p s ASP 101 N 1.09 1.64 0.00 -1.70 2.15 -0.20 -4.94 116.67 114.71 3h2p s ASP 101 Ca -0.00 -0.26 0.16 0.00 0.43 0.00 0.00 52.55 52.88 3h2p s ASP 101 Cb -0.14 -0.49 0.36 0.00 -0.30 0.00 0.00 42.92 42.35 3h2p s ASP 101 CO -0.08 0.09 1.28 -1.54 -0.17 0.00 0.00 175.17 174.75 3h2p n SER 102 N 3.31 3.09 -0.14 -0.34 3.41 -1.26 -0.03 113.62 121.67 3h2p n SER 102 Ca -0.19 -1.91 -0.25 0.00 -0.26 0.00 0.00 58.87 56.25 3h2p n SER 102 Cb 0.53 -0.25 -0.11 0.00 -0.26 0.00 0.00 64.21 64.13 3h2p n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3h2p n VAL 103 N 0.98 1.51 -1.10 -3.33 0.31 -1.26 -4.89 118.33 110.55 3h2p n VAL 103 Ca 0.15 -0.46 -0.30 0.00 -0.01 0.00 0.00 64.34 63.72 3h2p n VAL 103 Cb 0.48 -1.70 0.13 0.00 -0.91 0.00 0.00 33.84 31.84 3h2p n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3h2p s ILE 104 N -2.51 2.79 0.19 2.52 -4.36 -1.26 -4.87 121.20 113.70 3h2p s ILE 104 Ca -0.37 0.26 -0.10 0.00 -0.26 0.00 0.00 60.65 60.17 3h2p s ILE 104 Cb 0.13 -2.63 -0.01 0.00 1.25 0.00 0.00 42.46 41.20 3h2p s ILE 104 CO 0.53 -0.34 0.35 -0.55 0.24 0.00 0.00 174.94 175.17 3h2p s SER 105 N -3.22 -0.02 -0.04 4.36 0.15 -0.88 -4.61 113.70 109.44 3h2p s SER 105 Ca 0.63 -0.89 0.15 0.00 0.70 0.00 0.00 55.95 56.54 3h2p s SER 105 Cb -0.19 0.49 0.48 0.00 -1.71 0.00 0.00 66.02 65.09 3h2p s SER 105 CO 0.57 -0.97 1.40 0.18 1.20 0.00 0.00 173.24 175.62 3h2p n LEU 106 N -0.28 3.59 -3.97 3.45 4.77 -1.26 -1.63 117.00 121.68 3h2p n LEU 106 Ca -0.05 -2.20 -0.10 0.00 -0.03 0.00 0.00 56.01 53.63 3h2p n LEU 106 Cb 0.63 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3h2p n LEU 106 CO 0.24 0.80 0.27 -0.94 -1.33 0.00 0.00 177.39 176.42 3h2p s SER 107 N -1.10 0.15 0.32 -1.43 1.04 -1.26 -4.85 113.70 106.57 3h2p s SER 107 Ca 0.36 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.72 3h2p s SER 107 Cb 0.21 0.67 0.00 0.00 0.10 0.00 0.00 66.02 67.00 3h2p s SER 107 CO 0.20 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 173.73 3h2p n GLY 108 N -0.46 -0.83 0.24 7.32 0.00 -1.26 -3.21 105.19 106.99 3h2p n GLY 108 Ca -0.02 -1.17 0.15 0.00 0.00 0.00 0.00 46.02 44.97 3h2p n GLY 108 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3h2p h ASP 109 N 0.00 0.00 -0.49 1.61 2.03 -2.01 -2.72 116.42 114.85 3h2p h ASP 109 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3h2p h ASP 109 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3h2p h ASP 109 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 179.24 179.62 3h2p n HIS 110 N -3.07 1.11 -1.84 4.15 8.25 -1.26 -4.88 115.22 117.68 3h2p n HIS 110 Ca 0.02 -0.44 -0.42 0.00 -0.26 0.00 0.00 57.72 56.62 3h2p n HIS 110 Cb 0.42 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 3h2p n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h2p n ILE 112 N 3.88 0.00 -1.79 0.00 -5.35 -0.64 -4.93 119.36 110.52 3h2p n ILE 112 Ca 0.14 -0.45 -0.42 0.00 -0.27 0.00 0.00 62.75 61.75 3h2p n ILE 112 Cb 0.37 1.30 -0.02 0.00 -1.74 0.00 0.00 39.64 39.54 3h2p n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3h2p s ILE 113 N -1.51 2.16 0.00 7.28 1.01 -1.26 -1.68 121.20 127.19 3h2p s ILE 113 Ca 0.17 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.95 3h2p s ILE 113 Cb 0.13 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.53 3h2p s ILE 113 CO 0.26 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.82 3h2p n GLY 114 N 3.08 0.81 2.32 6.18 0.00 0.27 -5.00 105.19 112.85 3h2p n GLY 114 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 3h2p n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h2p n ARG 115 N -2.19 0.81 -4.72 1.61 1.74 -0.68 -2.43 116.66 110.82 3h2p n ARG 115 Ca 0.00 -1.90 -0.33 0.00 -0.77 0.00 0.00 57.85 54.85 3h2p n ARG 115 Cb 0.00 -0.07 -0.14 0.00 -1.02 0.00 0.00 32.46 31.23 3h2p n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3h2p s THR 116 N -1.24 3.20 -0.06 0.55 2.01 -1.05 -0.47 115.64 118.57 3h2p s THR 116 Ca 0.33 -0.61 -0.18 0.00 0.31 0.00 0.00 61.69 61.54 3h2p s THR 116 Cb -0.03 -2.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.08 3h2p s THR 116 CO 0.21 0.52 0.49 -0.22 -0.69 0.00 0.00 174.62 174.93 3h2p s LEU 117 N 0.33 4.36 -0.04 4.42 2.96 -0.43 0.21 118.68 130.48 3h2p s LEU 117 Ca -0.09 0.93 0.03 0.00 -0.22 0.00 0.00 54.13 54.78 3h2p s LEU 117 Cb -0.16 -2.73 0.00 0.00 0.50 0.00 0.00 46.19 43.81 3h2p s LEU 117 CO 0.05 0.10 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.37 3h2p s VAL 118 N 0.04 1.04 -0.11 1.68 1.01 0.55 -2.11 120.40 122.49 3h2p s VAL 118 Ca 0.27 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 3h2p s VAL 118 Cb -0.16 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3h2p s VAL 118 CO 0.13 0.32 -0.03 0.54 0.00 0.00 0.00 175.10 176.06 3h2p s VAL 119 N 0.25 4.04 0.29 2.92 0.11 -0.64 -1.36 120.40 126.01 3h2p s VAL 119 Ca -0.06 -0.33 0.07 0.00 -2.93 0.00 0.00 61.98 58.73 3h2p s VAL 119 Cb -0.11 -2.72 -0.03 0.00 -1.53 0.00 0.00 36.38 31.99 3h2p s VAL 119 CO 0.02 0.56 0.28 -1.00 -3.33 0.00 0.00 175.10 171.62 3h2p s HIS 120 N -0.36 3.06 0.16 1.54 3.76 0.50 -1.36 115.29 122.59 3h2p s HIS 120 Ca 0.06 -0.19 -0.13 0.00 -0.15 0.00 0.00 55.06 54.66 3h2p s HIS 120 Cb -0.12 -1.64 0.06 0.00 1.11 0.00 0.00 32.58 31.99 3h2p s HIS 120 CO 0.02 0.32 1.71 1.49 -0.85 0.00 0.00 174.74 177.44 3h2p h GLU 121 N 1.30 0.84 -5.52 1.40 4.81 -0.86 -3.36 114.58 113.21 3h2p h GLU 121 Ca -0.47 -0.16 -0.64 0.00 -0.13 0.00 0.00 59.36 57.96 3h2p h GLU 121 Cb 1.25 -0.13 -0.13 0.00 0.63 0.00 0.00 28.75 30.37 3h2p h GLU 121 CO 0.59 0.74 -0.56 0.15 -0.73 0.00 0.00 179.01 179.20 3h2p s LYS 122 N -5.52 2.07 0.55 1.92 1.02 0.27 -4.84 119.74 115.21 3h2p s LYS 122 Ca -0.13 -2.20 -0.11 0.00 0.02 0.00 0.00 55.97 53.56 3h2p s LYS 122 Cb 0.12 -1.63 -0.05 0.00 -0.52 0.00 0.00 37.83 35.75 3h2p s LYS 122 CO 0.79 -0.18 0.94 0.00 -0.92 0.00 0.00 175.35 175.98 3h2p s ALA 123 N -2.76 3.18 -0.16 5.17 0.00 -1.23 -0.77 121.76 125.18 3h2p s ALA 123 Ca 0.25 -0.13 -0.05 0.00 0.00 0.00 0.00 51.96 52.03 3h2p s ALA 123 Cb 0.06 -2.95 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 3h2p s ALA 123 CO 0.13 -0.46 -0.01 0.14 0.00 0.00 0.00 175.76 175.56 3h2p s VAL 124 N -2.90 4.15 0.00 0.00 -7.23 -1.26 -4.80 120.40 108.35 3h2p s VAL 124 Ca 0.54 -0.27 0.00 0.00 -1.81 0.00 0.00 61.98 60.44 3h2p s VAL 124 Cb -0.11 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 34.00 3h2p s VAL 124 CO 0.45 0.49 0.00 0.00 -0.31 0.00 0.00 175.10 175.74 3h2p n ALA 140 N 3.47 0.14 -0.49 1.32 0.00 -1.26 -5.10 120.51 118.59 3h2p n ALA 140 Ca -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3h2p n ALA 140 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3h2p n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2p n GLY 141 N 0.00 -0.12 3.74 0.00 0.00 -1.26 -0.57 105.19 106.98 3h2p n GLY 141 Ca 0.00 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 3h2p n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h2p s SER 142 N -4.00 4.31 -0.51 1.61 1.04 -1.26 -4.59 113.70 110.30 3h2p s SER 142 Ca 0.00 2.08 -0.21 0.00 0.48 0.00 0.00 55.95 58.30 3h2p s SER 142 Cb 0.00 -2.56 0.05 0.00 0.10 0.00 0.00 66.02 63.61 3h2p s SER 142 CO 0.00 -2.17 0.74 -0.13 0.98 0.00 0.00 173.24 172.66 3h2p s ARG 143 N -4.37 3.22 0.08 4.02 0.52 -1.26 -0.81 118.95 120.36 3h2p s ARG 143 Ca 0.67 -0.58 -0.10 0.00 -0.52 0.00 0.00 55.73 55.20 3h2p s ARG 143 Cb -0.22 -4.06 -0.22 0.00 0.52 0.00 0.00 34.95 30.97 3h2p s ARG 143 CO 0.49 -1.28 1.18 -0.07 0.02 0.00 0.00 175.30 175.65 3h2p h LEU 144 N 10.15 0.71 -7.10 2.53 3.38 -1.53 -3.47 115.31 119.98 3h2p h LEU 144 Ca -0.27 -0.63 -0.05 0.00 0.09 0.00 0.00 57.88 57.03 3h2p h LEU 144 Cb 1.09 -0.22 -0.15 0.00 0.09 0.00 0.00 40.66 41.46 3h2p h LEU 144 CO 1.00 1.45 0.12 0.00 0.09 0.00 0.00 178.44 181.10 3h2p s ALA 145 N -3.07 -1.49 0.20 1.53 0.00 -1.20 -4.05 121.76 113.68 3h2p s ALA 145 Ca -0.08 0.67 -0.23 0.00 0.00 0.00 0.00 51.96 52.33 3h2p s ALA 145 Cb 0.07 0.50 0.05 0.00 0.00 0.00 0.00 23.12 23.74 3h2p s ALA 145 CO 0.90 -0.58 0.75 0.00 0.00 0.00 0.00 175.76 176.84 3h2p s GLY 147 N -2.84 -0.54 0.07 0.00 0.00 -0.90 -1.13 107.32 101.98 3h2p s GLY 147 Ca 0.08 0.58 -0.24 0.00 0.00 0.00 0.00 44.72 45.14 3h2p s GLY 147 CO -0.01 0.19 0.72 0.14 0.00 0.00 0.00 173.10 174.15 3h2p s VAL 148 N -3.58 4.66 -0.24 1.40 1.01 -1.26 -1.32 120.40 121.06 3h2p s VAL 148 Ca 0.03 1.55 -0.28 0.00 0.00 0.00 0.00 61.98 63.28 3h2p s VAL 148 Cb -0.01 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.30 3h2p s VAL 148 CO -0.11 0.43 1.01 -0.63 0.00 0.00 0.00 175.10 175.81 3h2p s ILE 149 N -0.48 4.69 0.26 2.22 1.01 0.38 -4.53 121.20 124.76 3h2p s ILE 149 Ca 0.36 1.93 0.11 0.00 0.00 0.00 0.00 60.65 63.05 3h2p s ILE 149 Cb -0.21 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 37.93 3h2p s ILE 149 CO 0.23 -0.18 -0.12 -0.83 0.00 0.00 0.00 174.94 174.04 3h2p s GLY 150 N 1.25 1.77 0.21 6.18 0.00 0.06 -0.57 107.32 116.23 3h2p s GLY 150 Ca 0.43 -1.75 -0.30 0.00 0.00 0.00 0.00 44.72 43.10 3h2p s GLY 150 CO 0.07 -1.82 1.37 -0.42 0.00 0.00 0.00 173.10 172.30 3h2p s ILE 151 N -2.33 3.00 0.27 0.90 1.01 -1.26 -0.71 121.20 122.07 3h2p s ILE 151 Ca 0.30 0.82 0.11 0.00 0.00 0.00 0.00 60.65 61.88 3h2p s ILE 151 Cb -0.06 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 3h2p s ILE 151 CO 0.17 0.12 -0.19 0.00 0.00 0.00 0.00 174.94 175.03 3h2p s ALA 152 N 0.21 2.63 -2.12 9.38 0.00 -0.69 -4.77 121.76 126.40 3h2p s ALA 152 Ca 0.59 -1.84 0.31 0.00 0.00 0.00 0.00 51.96 51.02 3h2p s ALA 152 Cb -0.39 -0.23 1.70 0.00 0.00 0.00 0.00 23.12 24.19 3h2p s ALA 152 CO 0.39 0.25 2.11 0.94 0.00 0.00 0.00 175.76 179.45