#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2p n THR 2 N 0.00 0.00 -4.01 0.00 -2.24 -0.55 -4.87 114.28 102.60 3h2p n THR 2 Ca 0.00 -0.27 -0.12 0.00 -2.27 0.00 0.00 64.05 61.39 3h2p n THR 2 Cb 0.00 0.76 -0.13 0.00 -2.10 0.00 0.00 70.33 68.86 3h2p n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3h2p s LYS 3 N -2.01 0.31 0.20 -0.78 1.02 -1.03 -0.16 119.74 117.29 3h2p s LYS 3 Ca 0.01 -0.40 0.03 0.00 0.02 0.00 0.00 55.97 55.63 3h2p s LYS 3 Cb 0.05 -0.14 -0.05 0.00 -0.52 0.00 0.00 37.83 37.18 3h2p s LYS 3 CO 0.32 0.02 -0.00 0.00 -0.92 0.00 0.00 175.35 174.77 3h2p s ALA 4 N -0.77 1.53 0.01 5.17 0.00 0.03 -0.85 121.76 126.88 3h2p s ALA 4 Ca -0.06 -1.66 -0.10 0.00 0.00 0.00 0.00 51.96 50.14 3h2p s ALA 4 Cb -0.06 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.59 3h2p s ALA 4 CO -0.00 -0.29 0.20 0.54 0.00 0.00 0.00 175.76 176.21 3h2p s VAL 5 N -3.56 0.09 -0.04 0.00 0.11 -0.24 -0.80 120.40 115.95 3h2p s VAL 5 Ca 0.26 -0.71 -0.01 0.00 -2.93 0.00 0.00 61.98 58.59 3h2p s VAL 5 Cb 0.06 -0.63 0.03 0.00 -1.53 0.00 0.00 36.38 34.31 3h2p s VAL 5 CO 0.06 -0.39 0.08 0.00 -3.33 0.00 0.00 175.10 171.52 3h2p s VAL 7 N 1.34 5.25 -0.09 0.00 1.01 -1.26 -1.01 120.40 125.64 3h2p s VAL 7 Ca -0.06 -0.11 -0.21 0.00 0.00 0.00 0.00 61.98 61.59 3h2p s VAL 7 Cb -0.12 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3h2p s VAL 7 CO -0.04 -0.02 0.60 -0.76 0.00 0.00 0.00 175.10 174.87 3h2p s LEU 8 N 1.81 4.29 0.04 3.92 1.43 0.52 -3.95 118.68 126.75 3h2p s LEU 8 Ca 0.08 1.01 -0.07 0.00 -1.03 0.00 0.00 54.13 54.12 3h2p s LEU 8 Cb -0.17 -2.90 -0.01 0.00 0.03 0.00 0.00 46.19 43.14 3h2p s LEU 8 CO 0.11 -0.07 0.12 -0.54 0.23 0.00 0.00 176.35 176.20 3h2p s LYS 9 N 0.76 0.63 0.00 1.70 1.02 -0.46 -2.33 119.74 121.05 3h2p s LYS 9 Ca 0.32 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.57 3h2p s LYS 9 Cb -0.16 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.40 3h2p s LYS 9 CO 0.14 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.82 3h2p n GLY 10 N 0.70 3.34 0.26 -3.33 0.00 -1.23 -0.97 105.19 103.94 3h2p n GLY 10 Ca -0.19 -1.33 0.15 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.06 1.61 3.32 -1.92 -3.45 116.42 115.91 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 0.06 0.00 0.61 -1.72 0.00 0.00 179.24 178.19 3h2p n GLY 12 N 0.19 3.24 0.46 2.75 0.00 -1.26 -5.03 105.19 105.54 3h2p n GLY 12 Ca 0.01 -1.87 0.14 0.00 0.00 0.00 0.00 46.02 44.30 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 1.62 -2.50 1.61 -0.04 -1.26 -4.90 135.00 129.52 3h2p n PRO 13 Ca 0.00 -0.92 -0.42 0.00 -0.04 0.00 0.00 63.50 62.12 3h2p n PRO 13 Cb 0.00 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 31.95 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 -2.02 4.35 -0.01 0.52 1.01 -1.26 -4.31 120.40 118.68 3h2p s VAL 14 Ca 0.38 1.66 -0.15 0.00 0.00 0.00 0.00 61.98 63.87 3h2p s VAL 14 Cb 0.21 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.54 3h2p s VAL 14 CO 0.34 0.01 0.32 0.00 0.00 0.00 0.00 175.10 175.77 3h2p s GLN 15 N 2.12 0.69 0.03 2.72 -2.07 -0.69 -3.57 119.66 118.90 3h2p s GLN 15 Ca 0.55 -0.20 -0.29 0.00 -1.82 0.00 0.00 55.36 53.60 3h2p s GLN 15 Cb -0.24 0.31 0.10 0.00 -1.09 0.00 0.00 33.01 32.09 3h2p s GLN 15 CO 0.22 -0.20 1.17 0.20 -1.32 0.00 0.00 175.29 175.37 3h2p s GLY 16 N -1.38 -0.35 -0.08 2.60 0.00 -0.98 -0.73 107.32 106.39 3h2p s GLY 16 Ca -0.13 0.54 0.01 0.00 0.00 0.00 0.00 44.72 45.14 3h2p s GLY 16 CO 0.04 0.10 -0.09 -0.42 0.00 0.00 0.00 173.10 172.73 3h2p s ILE 17 N -2.71 0.98 -0.08 0.90 1.01 -0.96 -0.36 121.20 119.98 3h2p s ILE 17 Ca 0.13 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.48 3h2p s ILE 17 Cb 0.03 -0.95 -0.00 0.00 0.01 0.00 0.00 42.46 41.55 3h2p s ILE 17 CO -0.02 0.34 -0.22 -0.63 0.00 0.00 0.00 174.94 174.41 3h2p s ILE 18 N 1.09 1.85 0.04 2.92 -1.09 -0.18 -2.59 121.20 123.25 3h2p s ILE 18 Ca -0.07 -0.91 0.01 0.00 -2.23 0.00 0.00 60.65 57.45 3h2p s ILE 18 Cb -0.14 -1.60 -0.04 0.00 -1.58 0.00 0.00 42.46 39.09 3h2p s ILE 18 CO -0.01 0.52 0.10 0.20 -1.23 0.00 0.00 174.94 174.52 3h2p s ASN 19 N 0.27 5.75 -0.04 3.58 0.01 0.12 -0.75 114.94 123.88 3h2p s ASN 19 Ca -0.14 0.11 0.03 0.00 -0.71 0.00 0.00 52.86 52.15 3h2p s ASN 19 Cb -0.16 -1.64 0.00 0.00 0.41 0.00 0.00 41.25 39.86 3h2p s ASN 19 CO 0.07 0.22 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.38 3h2p s PHE 20 N -1.33 1.37 -0.03 2.20 0.08 0.02 -1.43 117.98 118.86 3h2p s PHE 20 Ca 0.27 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.94 3h2p s PHE 20 Cb -0.12 -0.96 0.01 0.00 -0.57 0.00 0.00 43.02 41.39 3h2p s PHE 20 CO 0.19 -0.16 -0.05 -2.00 -0.10 0.00 0.00 175.22 173.10 3h2p s GLU 21 N 0.22 0.73 -0.41 0.44 2.12 0.18 -0.79 118.70 121.19 3h2p s GLU 21 Ca -0.06 -0.14 0.02 0.00 0.36 0.00 0.00 54.97 55.16 3h2p s GLU 21 Cb -0.11 -0.74 0.15 0.00 0.26 0.00 0.00 34.13 33.69 3h2p s GLU 21 CO 0.02 -0.01 0.28 -1.14 -0.54 0.00 0.00 175.26 173.87 3h2p s GLN 22 N 0.60 0.93 0.46 4.30 0.74 0.78 -0.78 119.66 126.68 3h2p s GLN 22 Ca -0.08 -1.87 0.22 0.00 0.05 0.00 0.00 55.36 53.68 3h2p s GLN 22 Cb -0.11 -1.66 1.10 0.00 1.10 0.00 0.00 33.01 33.44 3h2p s GLN 22 CO 0.00 -1.28 1.94 0.87 -0.55 0.00 0.00 175.29 176.27 3h2p h LYS 23 N 6.33 0.00 -5.38 1.67 1.79 -1.82 -3.42 116.57 115.73 3h2p h LYS 23 Ca 0.13 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.94 3h2p h LYS 23 Cb 0.93 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 31.29 3h2p h LYS 23 CO 0.37 0.22 -0.80 -1.21 -1.08 0.00 0.00 179.45 176.95 3h2p s GLU 24 N -4.06 3.23 0.24 3.15 8.01 -1.26 -5.05 118.70 122.95 3h2p s GLU 24 Ca -0.02 -0.75 -0.31 0.00 0.01 0.00 0.00 54.97 53.90 3h2p s GLU 24 Cb 0.13 -2.51 -0.13 0.00 -4.31 0.00 0.00 34.13 27.31 3h2p s GLU 24 CO 0.64 0.22 1.45 0.43 0.01 0.00 0.00 175.26 178.01 3h2p n SER 25 N 3.46 2.93 -0.08 -0.19 7.64 -1.26 -0.92 113.62 125.21 3h2p n SER 25 Ca -0.18 1.14 -0.01 0.00 1.01 0.00 0.00 58.87 60.83 3h2p n SER 25 Cb 0.53 -1.45 -0.00 0.00 -1.01 0.00 0.00 64.21 62.27 3h2p n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3h2p n ASN 26 N 2.24 -5.21 -4.60 6.43 3.02 -1.26 -4.98 115.26 110.91 3h2p n ASN 26 Ca 0.12 0.02 -0.24 0.00 -0.03 0.00 0.00 54.58 54.45 3h2p n ASN 26 Cb 0.32 -2.80 0.12 0.00 -0.61 0.00 0.00 39.78 36.81 3h2p n ASN 26 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3h2p s GLY 27 N -2.05 1.76 0.57 7.41 0.00 -0.09 -5.05 107.32 109.87 3h2p s GLY 27 Ca 0.00 -1.75 -0.20 0.00 0.00 0.00 0.00 44.72 42.77 3h2p s GLY 27 CO 0.00 -1.13 1.31 -4.14 0.00 0.00 0.00 173.10 169.14 3h2p s PRO 28 N -5.23 3.00 -0.20 2.90 0.02 -1.26 -4.89 135.00 129.33 3h2p s PRO 28 Ca 0.68 2.11 -0.06 0.00 0.02 0.00 0.00 61.00 63.75 3h2p s PRO 28 Cb -0.05 -2.12 -0.03 0.00 0.02 0.00 0.00 34.50 32.33 3h2p s PRO 28 CO 0.46 -1.26 0.02 0.08 -0.33 0.00 0.00 177.00 175.96 3h2p s VAL 29 N -1.37 4.22 -0.07 3.83 1.01 0.72 -4.60 120.40 124.14 3h2p s VAL 29 Ca 0.75 -0.23 -0.22 0.00 0.00 0.00 0.00 61.98 62.29 3h2p s VAL 29 Cb -0.38 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3h2p s VAL 29 CO 0.43 0.43 0.63 -0.54 0.00 0.00 0.00 175.10 176.05 3h2p s LYS 30 N 0.82 4.40 -0.13 2.72 1.02 0.04 -0.70 119.74 127.91 3h2p s LYS 30 Ca 0.01 0.76 0.01 0.00 0.02 0.00 0.00 55.97 56.77 3h2p s LYS 30 Cb -0.14 -3.43 0.02 0.00 -0.52 0.00 0.00 37.83 33.76 3h2p s LYS 30 CO 0.02 0.14 -0.15 0.08 -0.92 0.00 0.00 175.35 174.52 3h2p s VAL 31 N 0.58 1.58 0.07 3.17 1.01 0.72 -0.65 120.40 126.89 3h2p s VAL 31 Ca 0.34 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 3h2p s VAL 31 Cb -0.17 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.78 3h2p s VAL 31 CO 0.16 0.46 0.38 -1.66 0.00 0.00 0.00 175.10 174.44 3h2p s TRP 32 N 1.20 -0.20 -5.00 5.22 -2.14 -0.52 -0.13 118.94 117.37 3h2p s TRP 32 Ca -0.01 0.03 0.00 0.00 2.66 0.00 0.00 56.10 58.78 3h2p s TRP 32 Cb -0.14 0.20 0.00 0.00 -3.10 0.00 0.00 33.47 30.43 3h2p s TRP 32 CO -0.06 -0.61 0.00 0.41 -2.66 0.00 0.00 176.95 174.04 3h2p n GLY 33 N 0.24 -0.12 2.94 3.67 0.00 -0.65 0.12 105.19 111.38 3h2p n GLY 33 Ca -0.17 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 3h2p n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h2p s SER 34 N -4.00 0.16 -0.05 1.61 0.15 -1.07 -0.60 113.70 109.90 3h2p s SER 34 Ca 0.00 -0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.37 3h2p s SER 34 Cb 0.00 0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.38 3h2p s SER 34 CO 0.00 -0.18 -0.11 -0.63 1.20 0.00 0.00 173.24 173.52 3h2p s ILE 35 N -0.89 0.97 0.36 6.45 1.01 -0.05 -2.26 121.20 126.79 3h2p s ILE 35 Ca -0.10 -0.41 0.06 0.00 0.00 0.00 0.00 60.65 60.21 3h2p s ILE 35 Cb -0.06 -0.89 -0.07 0.00 0.01 0.00 0.00 42.46 41.44 3h2p s ILE 35 CO -0.01 0.31 -0.00 -1.59 0.00 0.00 0.00 174.94 173.65 3h2p s LYS 36 N 0.55 1.79 0.00 2.79 -2.85 0.09 0.65 119.74 122.77 3h2p s LYS 36 Ca -0.11 -1.98 0.00 0.00 -1.00 0.00 0.00 55.97 52.88 3h2p s LYS 36 Cb -0.14 -1.38 0.00 0.00 -2.06 0.00 0.00 37.83 34.26 3h2p s LYS 36 CO 0.02 -0.04 0.00 0.41 0.10 0.00 0.00 175.35 175.84 3h2p n GLY 37 N -0.81 0.66 3.92 0.59 0.00 -1.01 -1.70 105.19 106.83 3h2p n GLY 37 Ca -0.04 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 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 4.23 0.36 0.99 1.43 -0.73 -4.24 118.68 120.72 3h2p s LEU 38 Ca 0.00 0.47 -0.27 0.00 -1.03 0.00 0.00 54.13 53.30 3h2p s LEU 38 Cb 0.00 -3.23 -0.09 0.00 0.03 0.00 0.00 46.19 42.90 3h2p s LEU 38 CO 0.00 -0.02 1.17 0.42 0.23 0.00 0.00 176.35 178.15 3h2p s THR 39 N -1.81 3.17 0.18 5.49 -4.23 -1.26 -4.12 115.64 113.06 3h2p s THR 39 Ca 0.39 1.05 -0.33 0.00 -1.18 0.00 0.00 61.69 61.63 3h2p s THR 39 Cb -0.11 -3.62 -0.14 0.00 1.34 0.00 0.00 72.50 69.97 3h2p s THR 39 CO 0.28 0.16 1.52 1.21 -0.54 0.00 0.00 174.62 177.25 3h2p n GLU 40 N 0.44 2.09 0.00 3.99 2.13 -1.26 -4.63 120.64 123.40 3h2p n GLU 40 Ca 0.02 0.75 0.00 0.00 0.66 0.00 0.00 57.16 58.59 3h2p n GLU 40 Cb 0.45 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.68 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 3.03 0.68 3.80 8.31 0.00 -0.65 -4.94 105.19 115.42 3h2p n GLY 41 Ca 0.15 -2.13 -0.38 0.00 0.00 0.00 0.00 46.02 43.66 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 4.52 -0.04 0.99 1.43 -1.26 -0.52 118.68 123.80 3h2p s LEU 42 Ca 0.00 1.38 0.00 0.00 -1.03 0.00 0.00 54.13 54.49 3h2p s LEU 42 Cb 0.00 -3.11 0.03 0.00 0.03 0.00 0.00 46.19 43.13 3h2p s LEU 42 CO 0.00 0.22 -0.01 -1.00 0.23 0.00 0.00 176.35 175.79 3h2p s HIS 43 N -1.19 0.45 0.44 0.29 3.76 0.30 -3.17 115.29 116.17 3h2p s HIS 43 Ca 0.33 -0.06 -0.25 0.00 -0.15 0.00 0.00 55.06 54.93 3h2p s HIS 43 Cb -0.20 -0.50 -0.09 0.00 1.11 0.00 0.00 32.58 32.90 3h2p s HIS 43 CO 0.21 -0.16 1.40 0.41 -0.85 0.00 0.00 174.74 175.75 3h2p n GLY 44 N 4.21 0.92 2.61 -2.22 0.00 -0.18 -0.47 105.19 110.07 3h2p n GLY 44 Ca -0.24 0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 0.58 0.03 1.61 5.36 -0.18 -0.46 117.98 123.73 3h2p s PHE 45 Ca 0.61 -0.84 0.02 0.00 -0.96 0.00 0.00 56.93 55.75 3h2p s PHE 45 Cb -0.46 -0.98 -0.02 0.00 -0.34 0.00 0.00 43.02 41.22 3h2p s PHE 45 CO 0.58 -0.72 -0.07 -1.01 -1.46 0.00 0.00 175.22 172.54 3h2p s HIS 46 N 2.01 0.58 -0.12 10.12 3.76 -0.61 -1.74 115.29 129.29 3h2p s HIS 46 Ca 0.06 -0.38 -0.22 0.00 -0.15 0.00 0.00 55.06 54.37 3h2p s HIS 46 Cb -0.16 -0.36 -0.03 0.00 1.11 0.00 0.00 32.58 33.14 3h2p s HIS 46 CO -0.24 -0.07 0.67 0.08 -0.85 0.00 0.00 174.74 174.33 3h2p s VAL 47 N -1.01 5.04 0.26 -0.90 1.01 0.85 -0.34 120.40 125.31 3h2p s VAL 47 Ca -0.07 1.33 0.07 0.00 0.00 0.00 0.00 61.98 63.31 3h2p s VAL 47 Cb -0.08 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 3h2p s VAL 47 CO 0.00 0.20 0.25 -1.00 0.00 0.00 0.00 175.10 174.55 3h2p s HIS 48 N 1.21 3.16 0.18 5.22 3.76 0.23 -0.79 115.29 128.27 3h2p s HIS 48 Ca 0.34 -0.11 -0.10 0.00 -0.15 0.00 0.00 55.06 55.03 3h2p s HIS 48 Cb -0.17 -1.49 0.09 0.00 1.11 0.00 0.00 32.58 32.12 3h2p s HIS 48 CO 0.14 0.46 1.70 1.49 -0.85 0.00 0.00 174.74 177.69 3h2p h GLU 49 N 1.39 1.00 -5.77 1.40 4.81 -0.82 -2.33 114.58 114.25 3h2p h GLU 49 Ca -0.49 -0.23 -0.67 0.00 -0.13 0.00 0.00 59.36 57.85 3h2p h GLU 49 Cb 1.24 -0.14 -0.22 0.00 0.63 0.00 0.00 28.75 30.26 3h2p h GLU 49 CO 0.60 0.89 -0.72 -0.06 -0.73 0.00 0.00 179.01 179.00 3h2p s PHE 50 N -5.37 2.89 -0.65 0.92 0.08 -0.33 -4.65 117.98 110.88 3h2p s PHE 50 Ca -0.12 -0.24 -0.06 0.00 0.12 0.00 0.00 56.93 56.62 3h2p s PHE 50 Cb 0.13 -1.79 -0.10 0.00 -0.57 0.00 0.00 43.02 40.69 3h2p s PHE 50 CO 0.82 0.09 3.12 0.41 -0.10 0.00 0.00 175.22 179.57 3h2p n GLY 51 N 2.86 3.88 3.15 4.36 0.00 -0.91 -3.66 105.19 114.88 3h2p n GLY 51 Ca -0.18 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 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 1.45 4.94 -0.18 1.61 -1.08 -1.26 -4.95 116.67 117.20 3h2p s ASP 52 Ca 0.64 -1.48 0.16 0.00 -0.52 0.00 0.00 52.55 51.34 3h2p s ASP 52 Cb 0.28 -1.73 0.65 0.00 -1.46 0.00 0.00 42.92 40.67 3h2p s ASP 52 CO -0.08 -0.32 1.56 -3.20 0.52 0.00 0.00 175.17 173.65 3h2p n ASN 53 N 4.59 4.64 0.26 -0.34 4.05 -1.26 -3.52 115.26 123.67 3h2p n ASN 53 Ca -0.10 -2.87 0.09 0.00 0.45 0.00 0.00 54.58 52.15 3h2p n ASN 53 Cb 0.43 -0.59 0.69 0.00 1.23 0.00 0.00 39.78 41.54 3h2p n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 3h2p h THR 54 N 2.89 0.89 -0.80 -0.44 1.35 -1.93 -1.95 112.91 112.92 3h2p h THR 54 Ca 0.00 -0.10 -0.51 0.00 -0.55 0.00 0.00 66.41 65.25 3h2p h THR 54 Cb 1.61 1.05 -0.42 0.00 -1.73 0.00 0.00 68.15 68.66 3h2p h THR 54 CO 0.31 0.03 -0.86 0.00 -0.25 0.00 0.00 175.52 174.75 3h2p n ALA 55 N -2.48 4.66 -0.92 6.62 0.00 -1.26 -5.06 120.51 122.07 3h2p n ALA 55 Ca -0.03 -3.70 0.00 0.00 0.00 0.00 0.00 53.44 49.71 3h2p n ALA 55 Cb 0.11 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.65 2.21 0.10 0.00 0.00 -0.74 -2.51 105.19 103.60 3h2p n GLY 56 Ca 0.38 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 -0.53 0.00 1.35 -1.84 -2.51 112.91 109.38 3h2p h THR 58 Ca 0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 3h2p h THR 58 Cb 0.53 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 3h2p h THR 58 CO 0.00 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.73 3h2p n SER 59 N -2.80 3.66 0.05 5.36 3.41 -1.18 -4.46 113.62 117.66 3h2p n SER 59 Ca -0.00 -1.99 0.10 0.00 -0.26 0.00 0.00 58.87 56.72 3h2p n SER 59 Cb 0.21 -0.35 0.42 0.00 -0.26 0.00 0.00 64.21 64.23 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 1.54 1.79 -0.04 7.33 0.00 -0.95 -4.44 120.51 125.74 3h2p n ALA 60 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3h2p n ALA 60 Cb 0.61 -1.33 -0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 0.28 -2.12 3.78 0.00 0.00 -1.26 -1.18 105.19 104.69 3h2p n GLY 61 Ca 0.04 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.30 1.63 0.04 1.61 0.04 -1.26 -4.52 135.00 132.25 3h2p s PRO 62 Ca 0.00 0.55 -0.37 0.00 0.04 0.00 0.00 61.00 61.22 3h2p s PRO 62 Cb 0.00 -1.87 -0.16 0.00 0.04 0.00 0.00 34.50 32.50 3h2p s PRO 62 CO 0.00 -1.91 1.42 1.58 0.04 0.00 0.00 177.00 178.13 3h2p n HIS 63 N -3.62 1.65 -1.82 0.56 -0.00 -1.26 -0.81 115.22 109.92 3h2p n HIS 63 Ca 0.07 0.59 -0.42 0.00 -0.00 0.00 0.00 57.72 57.96 3h2p n HIS 63 Cb 0.57 -2.37 -0.03 0.00 -0.00 0.00 0.00 29.99 28.16 3h2p n HIS 63 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 3h2p s PHE 64 N 0.99 1.58 -0.50 1.57 5.36 0.03 -4.69 117.98 122.33 3h2p s PHE 64 Ca 0.86 -0.17 0.06 0.00 -0.96 0.00 0.00 56.93 56.73 3h2p s PHE 64 Cb -0.95 -4.10 0.22 0.00 -0.34 0.00 0.00 43.02 37.85 3h2p s PHE 64 CO 0.49 -4.81 0.82 -1.71 -1.46 0.00 0.00 175.22 168.55 3h2p n ASN 65 N 7.41 -3.13 -4.73 6.13 5.15 -1.26 -0.70 115.26 124.13 3h2p n ASN 65 Ca 0.19 -3.08 -0.42 0.00 -0.60 0.00 0.00 54.58 50.67 3h2p n ASN 65 Cb 0.42 1.77 -0.02 0.00 -0.53 0.00 0.00 39.78 41.42 3h2p n ASN 65 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3h2p s PRO 66 N 0.77 4.13 0.00 1.20 0.02 -1.26 -4.82 135.00 135.04 3h2p s PRO 66 Ca 0.31 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.91 3h2p s PRO 66 Cb 0.12 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.58 3h2p s PRO 66 CO -0.15 -0.70 1.55 1.28 -0.33 0.00 0.00 177.00 178.65 3h2p n LEU 67 N 3.27 4.23 0.00 -5.54 4.77 -1.26 -5.03 117.00 117.44 3h2p n LEU 67 Ca 0.13 -1.95 0.00 0.00 -0.03 0.00 0.00 56.01 54.16 3h2p n LEU 67 Cb 0.36 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 3h2p n LEU 67 CO 0.64 0.78 0.00 -1.20 -1.33 0.00 0.00 177.39 176.28 3h2p n SER 68 N 1.23 0.00 0.00 -1.43 7.64 -1.26 -5.31 113.62 114.49 3h2p n SER 68 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3h2p n SER 68 Cb 0.46 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 3h2p n SER 68 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3h2p n ARG 79 N -0.16 0.00 -1.80 1.43 0.63 -1.26 -5.18 116.66 110.32 3h2p n ARG 79 Ca 0.00 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.54 3h2p n ARG 79 Cb 0.00 0.00 0.03 0.00 0.45 0.00 0.00 32.46 32.94 3h2p n ARG 79 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3h2p s HIS 80 N 0.00 2.41 0.27 -0.14 3.76 -1.26 -4.91 115.29 115.42 3h2p s HIS 80 Ca 0.00 1.31 0.00 0.00 -0.15 0.00 0.00 55.06 56.22 3h2p s HIS 80 Cb 0.00 -3.86 0.59 0.00 1.11 0.00 0.00 32.58 30.42 3h2p s HIS 80 CO 0.00 -2.89 1.73 0.28 -0.85 0.00 0.00 174.74 173.01 3h2p h VAL 81 N 1.98 0.60 0.00 -0.90 2.07 -1.91 -1.48 116.25 116.61 3h2p h VAL 81 Ca -0.51 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.85 3h2p h VAL 81 Cb 1.28 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3h2p h VAL 81 CO 0.60 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.88 3h2p n GLY 82 N -1.33 -1.00 3.52 2.17 0.00 0.12 -4.43 105.19 104.24 3h2p n GLY 82 Ca 0.18 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.81 6.17 -0.12 1.61 -1.08 -0.56 -0.11 116.67 120.77 3h2p s ASP 83 Ca 0.39 -0.61 0.13 0.00 -0.52 0.00 0.00 52.55 51.93 3h2p s ASP 83 Cb 0.18 -2.52 0.58 0.00 -1.46 0.00 0.00 42.92 39.71 3h2p s ASP 83 CO 0.30 -1.71 1.44 0.18 0.52 0.00 0.00 175.17 175.89 3h2p n LEU 84 N 8.85 4.11 0.00 -1.34 4.77 -0.71 -4.92 117.00 127.77 3h2p n LEU 84 Ca 0.01 -2.08 0.00 0.00 -0.03 0.00 0.00 56.01 53.91 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 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.96 3h2p n GLY 85 N 0.76 0.06 3.40 -0.72 0.00 -1.22 -4.85 105.19 102.63 3h2p n GLY 85 Ca 0.20 -1.11 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 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 3.48 0.15 1.61 0.01 -1.26 -1.01 114.94 113.92 3h2p s ASN 86 Ca 0.00 -0.54 0.04 0.00 -0.71 0.00 0.00 52.86 51.65 3h2p s ASN 86 Cb 0.00 -0.43 -0.04 0.00 0.41 0.00 0.00 41.25 41.20 3h2p s ASN 86 CO 0.00 0.25 0.21 0.68 -1.51 0.00 0.00 177.10 176.73 3h2p s VAL 87 N -0.90 4.95 -0.22 1.60 -7.23 0.38 -4.88 120.40 114.10 3h2p s VAL 87 Ca 0.13 -0.85 -0.03 0.00 -1.81 0.00 0.00 61.98 59.42 3h2p s VAL 87 Cb -0.10 -3.53 -0.00 0.00 0.56 0.00 0.00 36.38 33.31 3h2p s VAL 87 CO 0.04 -0.09 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.79 3h2p s THR 88 N -1.73 3.15 0.02 5.32 2.01 -1.26 -0.54 115.64 122.61 3h2p s THR 88 Ca 0.33 -0.61 -0.17 0.00 0.31 0.00 0.00 61.69 61.55 3h2p s THR 88 Cb -0.11 -2.44 -0.06 0.00 0.01 0.00 0.00 72.50 69.91 3h2p s THR 88 CO 0.26 0.42 0.49 0.00 -0.69 0.00 0.00 174.62 175.09 3h2p s ALA 89 N 1.44 3.63 0.66 7.40 0.00 0.32 -4.21 121.76 131.00 3h2p s ALA 89 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.91 3h2p s ALA 89 Cb -0.14 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.45 3h2p s ALA 89 CO -0.05 0.40 0.00 -0.40 0.00 0.00 0.00 175.76 175.71 3h2p n ASP 90 N 1.96 0.00 0.23 0.00 5.68 -0.33 -1.64 116.55 122.45 3h2p n ASP 90 Ca -0.12 -0.95 0.11 0.00 -0.50 0.00 0.00 54.79 53.34 3h2p n ASP 90 Cb 0.52 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.20 3h2p n ASP 90 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3h2p h LYS 91 N 0.00 0.00 -0.10 0.11 1.79 -1.97 -0.04 116.57 116.35 3h2p h LYS 91 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3h2p h LYS 91 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3h2p h LYS 91 CO 0.00 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 178.12 3h2p n ASP 92 N -4.36 1.58 0.00 0.86 8.00 -1.26 -4.89 116.55 116.47 3h2p n ASP 92 Ca -0.01 -1.62 0.00 0.00 0.71 0.00 0.00 54.79 53.87 3h2p n ASP 92 Cb 0.16 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 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 1.15 0.41 3.57 0.44 0.00 -0.03 -4.70 105.19 106.04 3h2p n GLY 93 Ca 0.17 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 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 4.48 -0.33 1.61 1.01 -1.26 -1.77 120.40 122.15 3h2p s VAL 94 Ca 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 3h2p s VAL 94 Cb 0.00 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.39 3h2p s VAL 94 CO 0.00 0.45 0.11 0.00 0.00 0.00 0.00 175.10 175.66 3h2p s ALA 95 N 0.55 3.09 -0.10 5.51 0.00 0.21 -1.19 121.76 129.84 3h2p s ALA 95 Ca 0.02 -1.63 -0.23 0.00 0.00 0.00 0.00 51.96 50.11 3h2p s ALA 95 Cb -0.13 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.68 3h2p s ALA 95 CO 0.02 -1.19 0.71 -0.51 0.00 0.00 0.00 175.76 174.78 3h2p s ASP 96 N 1.46 6.95 -0.13 0.00 1.01 -1.26 -0.87 116.67 123.83 3h2p s ASP 96 Ca 0.00 1.14 -0.00 0.00 0.71 0.00 0.00 52.55 54.40 3h2p s ASP 96 Cb -0.19 -2.41 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 3h2p s ASP 96 CO 0.03 -0.17 -0.13 -0.69 0.21 0.00 0.00 175.17 174.43 3h2p s VAL 97 N 1.11 3.10 -0.28 -1.27 1.01 0.23 -4.79 120.40 119.50 3h2p s VAL 97 Ca 0.36 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3h2p s VAL 97 Cb -0.17 -2.30 0.15 0.00 0.00 0.00 0.00 36.38 34.05 3h2p s VAL 97 CO 0.16 0.52 0.38 -0.55 0.00 0.00 0.00 175.10 175.62 3h2p s SER 98 N 0.35 0.61 0.08 3.32 0.15 -1.25 -1.64 113.70 115.31 3h2p s SER 98 Ca -0.11 -0.33 0.06 0.00 0.70 0.00 0.00 55.95 56.27 3h2p s SER 98 Cb -0.16 0.99 -0.03 0.00 -1.71 0.00 0.00 66.02 65.11 3h2p s SER 98 CO 0.06 -0.35 -0.15 -0.63 1.20 0.00 0.00 173.24 173.36 3h2p s ILE 99 N 2.51 1.22 -0.12 6.45 1.01 0.81 -4.99 121.20 128.09 3h2p s ILE 99 Ca 0.10 -1.34 0.03 0.00 0.00 0.00 0.00 60.65 59.43 3h2p s ILE 99 Cb -0.13 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 41.18 3h2p s ILE 99 CO -0.28 -0.19 -0.21 -0.70 0.00 0.00 0.00 174.94 173.57 3h2p s GLU 100 N -1.75 3.12 -0.04 2.79 2.12 -1.26 -0.20 118.70 123.48 3h2p s GLU 100 Ca -0.00 -0.83 0.03 0.00 0.36 0.00 0.00 54.97 54.53 3h2p s GLU 100 Cb -0.10 -2.42 0.01 0.00 0.26 0.00 0.00 34.13 31.88 3h2p s GLU 100 CO 0.03 0.13 -0.10 0.34 -0.54 0.00 0.00 175.26 175.12 3h2p s ASP 101 N 0.48 1.43 0.00 -1.70 2.15 0.13 -4.95 116.67 114.20 3h2p s ASP 101 Ca -0.14 -0.23 0.17 0.00 0.43 0.00 0.00 52.55 52.78 3h2p s ASP 101 Cb -0.17 -0.47 0.39 0.00 -0.30 0.00 0.00 42.92 42.37 3h2p s ASP 101 CO 0.06 0.06 1.31 -1.54 -0.17 0.00 0.00 175.17 174.88 3h2p n SER 102 N 3.44 3.19 -0.13 -0.34 3.41 -1.26 -0.20 113.62 121.73 3h2p n SER 102 Ca -0.20 -1.93 -0.25 0.00 -0.26 0.00 0.00 58.87 56.23 3h2p n SER 102 Cb 0.53 -0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 64.11 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 1.07 1.45 -1.16 -3.33 0.31 -1.26 -4.90 118.33 110.51 3h2p n VAL 103 Ca 0.16 -0.42 -0.30 0.00 -0.01 0.00 0.00 64.34 63.77 3h2p n VAL 103 Cb 0.50 -1.72 0.14 0.00 -0.91 0.00 0.00 33.84 31.85 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 -2.49 2.72 0.17 2.52 -4.36 -1.26 -4.84 121.20 113.65 3h2p s ILE 104 Ca -0.36 0.23 -0.16 0.00 -0.26 0.00 0.00 60.65 60.10 3h2p s ILE 104 Cb 0.13 -2.67 0.03 0.00 1.25 0.00 0.00 42.46 41.19 3h2p s ILE 104 CO 0.50 -0.30 0.44 -0.55 0.24 0.00 0.00 174.94 175.27 3h2p s SER 105 N -3.34 -0.21 -0.09 4.36 0.15 -1.04 -4.67 113.70 108.86 3h2p s SER 105 Ca 0.63 -0.48 0.19 0.00 0.70 0.00 0.00 55.95 56.99 3h2p s SER 105 Cb -0.18 0.52 0.70 0.00 -1.71 0.00 0.00 66.02 65.35 3h2p s SER 105 CO 0.57 -0.96 1.61 0.18 1.20 0.00 0.00 173.24 175.84 3h2p n LEU 106 N -0.28 4.60 -3.95 3.45 4.77 -1.26 -1.66 117.00 122.67 3h2p n LEU 106 Ca -0.12 -2.38 -0.09 0.00 -0.03 0.00 0.00 56.01 53.39 3h2p n LEU 106 Cb 0.63 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 3h2p n LEU 106 CO 0.18 0.84 0.28 -0.94 -1.33 0.00 0.00 177.39 176.42 3h2p s SER 107 N -0.95 -0.11 0.30 -1.43 1.04 -1.26 -4.64 113.70 106.65 3h2p s SER 107 Ca 0.50 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 56.08 3h2p s SER 107 Cb 0.31 0.64 0.00 0.00 0.10 0.00 0.00 66.02 67.08 3h2p s SER 107 CO 0.26 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.86 3h2p n GLY 108 N -0.42 -0.78 0.23 7.32 0.00 -1.26 -3.18 105.19 107.10 3h2p n GLY 108 Ca -0.02 -1.17 0.07 0.00 0.00 0.00 0.00 46.02 44.90 3h2p n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h2p h ASP 109 N 0.00 0.00 -0.56 1.61 3.32 -2.00 -1.91 116.42 116.88 3h2p h ASP 109 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h2p h ASP 109 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3h2p h ASP 109 CO 0.00 0.18 0.00 1.41 -1.72 0.00 0.00 179.24 179.11 3h2p n HIS 110 N -4.15 1.86 -1.78 4.55 8.25 -1.26 -4.95 115.22 117.75 3h2p n HIS 110 Ca -0.02 -0.72 -0.42 0.00 -0.26 0.00 0.00 57.72 56.30 3h2p n HIS 110 Cb 0.25 -0.45 -0.02 0.00 1.12 0.00 0.00 29.99 30.89 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 2.89 0.00 -1.70 0.00 -5.35 -0.66 -4.92 119.36 109.61 3h2p n ILE 112 Ca 0.11 -0.43 -0.43 0.00 -0.27 0.00 0.00 62.75 61.73 3h2p n ILE 112 Cb 0.37 1.20 -0.03 0.00 -1.74 0.00 0.00 39.64 39.44 3h2p n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 3h2p n ILE 113 N 0.22 0.02 -0.85 7.28 2.08 -1.26 -1.64 119.36 125.20 3h2p n ILE 113 Ca 0.06 -0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.37 3h2p n ILE 113 Cb 0.29 -1.87 0.00 0.00 -0.75 0.00 0.00 39.64 37.31 3h2p n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3h2p n GLY 114 N 3.83 0.82 1.27 7.39 0.00 0.79 -5.00 105.19 114.28 3h2p n GLY 114 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.26 0.93 -4.93 1.61 1.74 -0.65 -2.13 116.66 110.97 3h2p n ARG 115 Ca 0.00 -1.03 -0.33 0.00 -0.77 0.00 0.00 57.85 55.72 3h2p n ARG 115 Cb 0.00 -0.05 -0.15 0.00 -1.02 0.00 0.00 32.46 31.24 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 -0.28 2.75 -0.03 0.55 2.01 -0.88 -0.46 115.64 119.30 3h2p s THR 116 Ca 0.18 -0.78 -0.18 0.00 0.31 0.00 0.00 61.69 61.22 3h2p s THR 116 Cb -0.01 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.33 3h2p s THR 116 CO 0.12 0.54 0.50 -0.22 -0.69 0.00 0.00 174.62 174.87 3h2p s LEU 117 N 0.19 4.40 -0.02 4.42 2.96 -0.50 0.77 118.68 130.89 3h2p s LEU 117 Ca -0.10 1.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.84 3h2p s LEU 117 Cb -0.16 -2.74 0.00 0.00 0.50 0.00 0.00 46.19 43.79 3h2p s LEU 117 CO 0.06 0.16 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.45 3h2p s VAL 118 N -0.29 0.88 -0.13 1.68 1.01 0.54 -2.13 120.40 121.97 3h2p s VAL 118 Ca 0.27 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 3h2p s VAL 118 Cb -0.17 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 3h2p s VAL 118 CO 0.14 0.27 -0.08 0.54 0.00 0.00 0.00 175.10 175.96 3h2p s VAL 119 N 0.09 3.50 0.33 2.92 0.11 -0.65 -1.58 120.40 125.11 3h2p s VAL 119 Ca -0.02 -0.51 0.05 0.00 -2.93 0.00 0.00 61.98 58.57 3h2p s VAL 119 Cb -0.08 -2.49 -0.01 0.00 -1.53 0.00 0.00 36.38 32.27 3h2p s VAL 119 CO 0.00 0.53 0.47 -1.00 -3.33 0.00 0.00 175.10 171.77 3h2p s HIS 120 N 0.10 3.23 0.18 1.54 3.76 0.39 -1.04 115.29 123.46 3h2p s HIS 120 Ca -0.03 -0.08 -0.12 0.00 -0.15 0.00 0.00 55.06 54.68 3h2p s HIS 120 Cb -0.14 -1.92 0.08 0.00 1.11 0.00 0.00 32.58 31.71 3h2p s HIS 120 CO 0.04 0.07 1.73 1.49 -0.85 0.00 0.00 174.74 177.22 3h2p h GLU 121 N 0.89 0.91 -5.31 1.40 4.81 -0.64 -3.37 114.58 113.28 3h2p h GLU 121 Ca -0.48 -0.16 -0.56 0.00 -0.13 0.00 0.00 59.36 58.03 3h2p h GLU 121 Cb 1.25 -0.15 -0.13 0.00 0.63 0.00 0.00 28.75 30.34 3h2p h GLU 121 CO 0.56 0.77 -0.57 0.15 -0.73 0.00 0.00 179.01 179.19 3h2p s LYS 122 N -5.56 1.87 0.48 1.92 1.02 0.20 -4.86 119.74 114.82 3h2p s LYS 122 Ca -0.13 -2.09 -0.15 0.00 0.02 0.00 0.00 55.97 53.62 3h2p s LYS 122 Cb 0.13 -1.15 -0.07 0.00 -0.52 0.00 0.00 37.83 36.22 3h2p s LYS 122 CO 0.80 -0.23 0.92 0.00 -0.92 0.00 0.00 175.35 175.92 3h2p s ALA 123 N -3.05 3.15 -0.00 5.17 0.00 -1.19 -1.01 121.76 124.82 3h2p s ALA 123 Ca 0.29 0.07 -0.28 0.00 0.00 0.00 0.00 51.96 52.03 3h2p s ALA 123 Cb 0.07 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 3h2p s ALA 123 CO 0.14 -0.18 0.90 0.14 0.00 0.00 0.00 175.76 176.76 3h2p s VAL 124 N -2.56 4.88 0.00 0.00 -7.23 -1.26 -4.18 120.40 110.04 3h2p s VAL 124 Ca 0.57 1.89 0.00 0.00 -1.81 0.00 0.00 61.98 62.62 3h2p s VAL 124 Cb -0.10 -4.24 0.00 0.00 0.56 0.00 0.00 36.38 32.60 3h2p s VAL 124 CO 0.32 0.21 0.00 0.59 -0.31 0.00 0.00 175.10 175.90 3h2p n ASN 139 N 3.72 0.00 0.00 4.85 4.13 -1.26 -5.14 115.26 121.56 3h2p n ASN 139 Ca 0.03 0.00 0.12 0.00 1.68 0.00 0.00 54.58 56.41 3h2p n ASN 139 Cb 0.51 -0.15 0.55 0.00 -1.54 0.00 0.00 39.78 39.14 3h2p n ASN 139 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3h2p n ALA 140 N 0.11 2.15 -0.55 5.41 0.00 -1.26 -4.73 120.51 121.64 3h2p n ALA 140 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3h2p n ALA 140 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 0.99 0.30 3.74 0.00 0.00 -1.26 -0.63 105.19 108.32 3h2p n GLY 141 Ca 0.07 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 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 4.07 -0.50 1.61 1.04 -1.26 -4.61 113.70 110.04 3h2p s SER 142 Ca 0.00 1.96 -0.20 0.00 0.48 0.00 0.00 55.95 58.19 3h2p s SER 142 Cb 0.00 -2.54 0.05 0.00 0.10 0.00 0.00 66.02 63.63 3h2p s SER 142 CO 0.00 -2.33 0.65 -0.13 0.98 0.00 0.00 173.24 172.41 3h2p s ARG 143 N -4.75 3.16 0.12 4.02 0.52 -1.26 -0.56 118.95 120.19 3h2p s ARG 143 Ca 0.64 -0.77 -0.07 0.00 -0.52 0.00 0.00 55.73 55.01 3h2p s ARG 143 Cb -0.19 -4.07 -0.11 0.00 0.52 0.00 0.00 34.95 31.09 3h2p s ARG 143 CO 0.55 -1.22 1.29 -0.07 0.02 0.00 0.00 175.30 175.88 3h2p h LEU 144 N 9.81 0.65 -7.18 2.53 3.38 -1.38 -3.47 115.31 119.65 3h2p h LEU 144 Ca -0.27 -0.50 -0.06 0.00 0.09 0.00 0.00 57.88 57.14 3h2p h LEU 144 Cb 1.09 -0.20 -0.16 0.00 0.09 0.00 0.00 40.66 41.48 3h2p h LEU 144 CO 0.96 1.29 0.05 0.00 0.09 0.00 0.00 178.44 180.84 3h2p s ALA 145 N -3.36 -1.36 0.25 1.53 0.00 -1.19 -4.05 121.76 113.58 3h2p s ALA 145 Ca -0.07 0.64 -0.20 0.00 0.00 0.00 0.00 51.96 52.32 3h2p s ALA 145 Cb 0.09 0.38 0.03 0.00 0.00 0.00 0.00 23.12 23.61 3h2p s ALA 145 CO 0.88 -0.51 0.66 0.00 0.00 0.00 0.00 175.76 176.79 3h2p s GLY 147 N -2.90 -0.52 0.16 0.00 0.00 -0.91 -1.36 107.32 101.79 3h2p s GLY 147 Ca 0.10 1.00 -0.29 0.00 0.00 0.00 0.00 44.72 45.52 3h2p s GLY 147 CO 0.03 0.46 0.93 0.14 0.00 0.00 0.00 173.10 174.67 3h2p s VAL 148 N -2.78 4.35 -0.35 1.40 1.01 -1.26 -1.41 120.40 121.36 3h2p s VAL 148 Ca -0.00 2.03 -0.26 0.00 0.00 0.00 0.00 61.98 63.75 3h2p s VAL 148 Cb -0.01 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 32.08 3h2p s VAL 148 CO -0.06 0.40 0.95 -0.63 0.00 0.00 0.00 175.10 175.76 3h2p s ILE 149 N -0.48 4.58 0.25 2.22 1.01 0.39 -4.52 121.20 124.65 3h2p s ILE 149 Ca 0.44 1.32 0.08 0.00 0.00 0.00 0.00 60.65 62.49 3h2p s ILE 149 Cb -0.24 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 37.85 3h2p s ILE 149 CO 0.30 -0.51 0.05 -0.83 0.00 0.00 0.00 174.94 173.95 3h2p s GLY 150 N 1.82 1.60 0.05 6.18 0.00 -0.17 -0.15 107.32 116.64 3h2p s GLY 150 Ca 0.39 -1.54 -0.31 0.00 0.00 0.00 0.00 44.72 43.27 3h2p s GLY 150 CO 0.18 -1.59 1.42 -0.42 0.00 0.00 0.00 173.10 172.68 3h2p s ILE 151 N -2.17 3.51 -0.05 0.90 1.01 -1.26 -1.08 121.20 122.06 3h2p s ILE 151 Ca 0.31 0.99 0.09 0.00 0.00 0.00 0.00 60.65 62.04 3h2p s ILE 151 Cb -0.07 -3.63 -0.13 0.00 0.01 0.00 0.00 42.46 38.63 3h2p s ILE 151 CO 0.21 0.03 0.13 0.00 0.00 0.00 0.00 174.94 175.30 3h2p n ALA 152 N 4.86 2.07 -1.99 9.38 0.00 -0.03 -4.82 120.51 129.98 3h2p n ALA 152 Ca 0.13 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3h2p n ALA 152 Cb 0.43 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.73 3h2p n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44