#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrh s VAL 8 N 0.00 4.56 -0.05 0.52 1.01 -1.26 -4.52 120.40 120.65 3hrh s VAL 8 Ca 0.00 1.54 0.03 0.00 0.00 0.00 0.00 61.98 63.55 3hrh s VAL 8 Cb 0.00 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 3hrh s VAL 8 CO 0.00 0.50 -0.13 -1.61 0.00 0.00 0.00 175.10 173.86 3hrh s GLU 9 N -0.88 2.56 -0.68 2.72 2.02 0.23 -4.95 118.70 119.72 3hrh s GLU 9 Ca 0.34 -0.66 -0.12 0.00 0.02 0.00 0.00 54.97 54.55 3hrh s GLU 9 Cb -0.21 -2.43 0.18 0.00 0.10 0.00 0.00 34.13 31.76 3hrh s GLU 9 CO 0.23 0.63 0.60 -0.47 0.02 0.00 0.00 175.26 176.27 3hrh s TYR 10 N -0.74 3.55 0.35 1.61 5.04 -1.26 -0.54 117.35 125.35 3hrh s TYR 10 Ca 0.12 -1.91 -0.01 0.00 -2.44 0.00 0.00 57.07 52.83 3hrh s TYR 10 Cb -0.11 -3.68 -0.04 0.00 0.35 0.00 0.00 41.96 38.48 3hrh s TYR 10 CO 0.01 -0.98 0.56 -0.51 -1.34 0.00 0.00 175.55 173.29 3hrh s LEU 11 N 0.64 4.00 -0.30 6.97 1.43 0.04 -4.93 118.68 126.52 3hrh s LEU 11 Ca 0.13 0.51 0.02 0.00 -1.03 0.00 0.00 54.13 53.76 3hrh s LEU 11 Cb -0.18 -3.38 0.09 0.00 0.03 0.00 0.00 46.19 42.75 3hrh s LEU 11 CO -0.04 -0.30 0.04 -1.10 0.23 0.00 0.00 176.35 175.18 3hrh s GLN 12 N -4.23 1.29 -0.16 1.70 -0.21 -1.26 -0.57 119.66 116.22 3hrh s GLN 12 Ca 0.41 -1.40 -0.15 0.00 0.02 0.00 0.00 55.36 54.23 3hrh s GLN 12 Cb -0.10 -2.67 -0.04 0.00 1.00 0.00 0.00 33.01 31.20 3hrh s GLN 12 CO 0.36 -0.86 0.36 0.08 -2.12 0.00 0.00 175.29 173.11 3hrh s VAL 13 N 1.25 5.25 0.50 1.09 1.01 -0.17 -4.83 120.40 124.51 3hrh s VAL 13 Ca 0.06 0.68 -0.21 0.00 0.00 0.00 0.00 61.98 62.52 3hrh s VAL 13 Cb -0.18 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 3hrh s VAL 13 CO -0.13 0.34 1.10 -2.84 0.00 0.00 0.00 175.10 173.56 3hrh s PRO 14 N 0.74 3.62 -0.27 2.72 0.02 -1.26 0.12 135.00 140.68 3hrh s PRO 14 Ca 0.19 1.54 -0.03 0.00 0.02 0.00 0.00 61.00 62.72 3hrh s PRO 14 Cb -0.14 -2.13 0.09 0.00 0.02 0.00 0.00 34.50 32.34 3hrh s PRO 14 CO 0.06 -0.62 0.11 0.45 -0.33 0.00 0.00 177.00 176.67 3hrh s SER 15 N -1.77 3.43 0.21 2.53 0.15 -0.34 -4.81 113.70 113.10 3hrh s SER 15 Ca 0.69 -1.23 -0.08 0.00 0.70 0.00 0.00 55.95 56.02 3hrh s SER 15 Cb -0.22 -0.48 0.14 0.00 -1.71 0.00 0.00 66.02 63.76 3hrh s SER 15 CO 0.26 -0.41 1.76 0.00 1.20 0.00 0.00 173.24 176.05 3hrh h ALA 16 N 8.32 1.01 -0.66 5.45 0.00 -1.96 0.45 119.26 131.87 3hrh h ALA 16 Ca -0.17 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3hrh h ALA 16 Cb 1.04 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3hrh h ALA 16 CO 0.42 0.66 0.43 0.66 0.00 0.00 0.00 179.25 181.42 3hrh h SER 17 N 1.14 0.77 -0.02 0.00 4.64 -1.95 -2.67 113.55 115.46 3hrh h SER 17 Ca 0.25 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3hrh h SER 17 Cb 0.26 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3hrh h SER 17 CO -0.01 0.56 -0.38 0.23 -0.87 0.00 0.00 176.83 176.36 3hrh n MET 18 N -4.43 1.45 -3.34 4.77 2.81 -1.02 -4.85 117.12 112.51 3hrh n MET 18 Ca 0.07 -1.04 -0.20 0.00 -1.81 0.00 0.00 57.70 54.72 3hrh n MET 18 Cb 0.05 -1.41 0.06 0.00 -0.71 0.00 0.00 33.22 31.21 3hrh n MET 18 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hrh n GLY 19 N 1.32 -0.34 3.64 3.03 0.00 0.15 -4.80 105.19 108.19 3hrh n GLY 19 Ca 0.09 0.10 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 3hrh n GLY 19 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hrh s ARG 20 N -6.01 0.59 0.20 1.61 1.70 -0.94 -5.01 118.95 111.09 3hrh s ARG 20 Ca 0.46 -0.31 -0.28 0.00 -0.47 0.00 0.00 55.73 55.13 3hrh s ARG 20 Cb -0.20 0.21 -0.08 0.00 -0.57 0.00 0.00 34.95 34.31 3hrh s ARG 20 CO 0.57 -0.27 0.86 -0.51 -1.08 0.00 0.00 175.30 174.86 3hrh s ASP 21 N -2.84 7.51 -0.21 -2.89 -0.00 -1.26 -1.20 116.67 115.78 3hrh s ASP 21 Ca 0.13 1.79 -0.05 0.00 -0.00 0.00 0.00 52.55 54.42 3hrh s ASP 21 Cb 0.02 -2.55 -0.02 0.00 -0.00 0.00 0.00 42.92 40.37 3hrh s ASP 21 CO -0.03 0.18 -0.01 -0.63 -0.00 0.00 0.00 175.17 174.68 3hrh s ILE 22 N -1.12 3.72 0.22 0.77 -1.09 0.32 -4.88 121.20 119.13 3hrh s ILE 22 Ca 0.38 -0.38 -0.30 0.00 -2.23 0.00 0.00 60.65 58.12 3hrh s ILE 22 Cb -0.24 -2.69 -0.09 0.00 -1.58 0.00 0.00 42.46 37.85 3hrh s ILE 22 CO 0.29 0.41 1.29 -0.54 -1.23 0.00 0.00 174.94 175.17 3hrh s LYS 23 N 1.29 4.40 -0.05 2.79 1.02 -1.26 -1.00 119.74 126.94 3hrh s LYS 23 Ca 0.04 2.06 -0.01 0.00 0.02 0.00 0.00 55.97 58.07 3hrh s LYS 23 Cb -0.15 -3.18 0.03 0.00 -0.52 0.00 0.00 37.83 34.02 3hrh s LYS 23 CO -0.00 -0.21 0.03 0.08 -0.92 0.00 0.00 175.35 174.33 3hrh s VAL 24 N -0.14 0.11 -0.15 3.17 1.01 0.27 -0.71 120.40 123.95 3hrh s VAL 24 Ca 0.55 0.25 -0.24 0.00 0.00 0.00 0.00 61.98 62.54 3hrh s VAL 24 Cb -0.37 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 3hrh s VAL 24 CO 0.40 0.19 0.74 -1.10 0.00 0.00 0.00 175.10 175.34 3hrh s GLN 25 N 1.82 4.31 0.00 2.72 -0.21 0.07 -0.78 119.66 127.60 3hrh s GLN 25 Ca 0.01 0.87 0.03 0.00 0.02 0.00 0.00 55.36 56.30 3hrh s GLN 25 Cb -0.12 -3.54 -0.01 0.00 1.00 0.00 0.00 33.01 30.33 3hrh s GLN 25 CO -0.03 -0.20 -0.11 0.12 -2.12 0.00 0.00 175.29 172.95 3hrh s PHE 26 N 1.74 0.94 -0.21 0.91 5.36 0.30 0.28 117.98 127.30 3hrh s PHE 26 Ca 0.35 -0.22 -0.03 0.00 -0.96 0.00 0.00 56.93 56.07 3hrh s PHE 26 Cb -0.17 -0.59 0.07 0.00 -0.34 0.00 0.00 43.02 41.99 3hrh s PHE 26 CO 0.13 -0.01 0.06 -1.14 -1.46 0.00 0.00 175.22 172.80 3hrh s GLN 27 N -0.47 0.55 0.94 10.12 0.74 -0.48 0.76 119.66 131.83 3hrh s GLN 27 Ca 0.03 -0.46 -0.12 0.00 0.05 0.00 0.00 55.36 54.86 3hrh s GLN 27 Cb -0.05 -2.00 0.16 0.00 1.10 0.00 0.00 33.01 32.22 3hrh s GLN 27 CO -0.00 -0.71 1.09 0.20 -0.55 0.00 0.00 175.29 175.32 3hrh s GLY 28 N 1.88 1.61 0.00 2.59 0.00 -1.26 -1.33 107.32 110.80 3hrh s GLY 28 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.67 3hrh s GLY 28 CO -0.12 0.46 0.00 0.61 0.00 0.00 0.00 173.10 174.05 3hrh n GLY 29 N -0.79 0.00 0.00 0.20 0.00 -1.26 -4.80 105.19 98.54 3hrh n GLY 29 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3hrh n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrh n GLY 30 N 0.00 2.42 0.21 -0.02 0.00 -1.26 -2.57 105.19 103.97 3hrh n GLY 30 Ca 0.00 -0.87 0.06 0.00 0.00 0.00 0.00 46.02 45.22 3hrh n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hrh h PRO 31 N 0.00 0.00 -5.75 1.61 0.13 -1.84 -3.37 132.00 122.78 3hrh h PRO 31 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 3hrh h PRO 31 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 3hrh h PRO 31 CO 0.00 0.29 -0.48 -1.01 -0.23 0.00 0.00 178.00 176.57 3hrh s HIS 32 N -4.06 3.57 0.20 1.56 3.76 -1.26 -0.28 115.29 118.78 3hrh s HIS 32 Ca -0.02 0.43 0.08 0.00 -0.15 0.00 0.00 55.06 55.40 3hrh s HIS 32 Cb 0.13 -1.88 -0.05 0.00 1.11 0.00 0.00 32.58 31.90 3hrh s HIS 32 CO 0.68 0.68 -0.16 0.00 -0.85 0.00 0.00 174.74 175.09 3hrh s ALA 33 N -1.22 2.08 -0.35 -1.40 0.00 -1.26 -0.95 121.76 118.66 3hrh s ALA 33 Ca 0.23 -1.65 -0.09 0.00 0.00 0.00 0.00 51.96 50.45 3hrh s ALA 33 Cb -0.12 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 22.91 3hrh s ALA 33 CO 0.13 0.12 0.15 0.08 0.00 0.00 0.00 175.76 176.24 3hrh s VAL 34 N -2.76 4.21 -0.48 0.00 1.01 0.15 -1.29 120.40 121.23 3hrh s VAL 34 Ca 0.22 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 60.98 3hrh s VAL 34 Cb -0.02 -3.34 0.03 0.00 0.00 0.00 0.00 36.38 33.05 3hrh s VAL 34 CO 0.08 -0.18 1.07 -0.31 0.00 0.00 0.00 175.10 175.76 3hrh s TYR 35 N 1.49 2.83 -0.52 5.22 1.51 0.13 -1.91 117.35 126.09 3hrh s TYR 35 Ca 0.01 0.56 -0.17 0.00 -1.01 0.00 0.00 57.07 56.46 3hrh s TYR 35 Cb -0.19 -4.30 0.09 0.00 -0.11 0.00 0.00 41.96 37.45 3hrh s TYR 35 CO 0.05 -1.25 0.55 -0.51 -1.11 0.00 0.00 175.55 173.28 3hrh s LEU 36 N 4.28 5.51 0.34 -1.29 1.43 -0.60 -0.80 118.68 127.55 3hrh s LEU 36 Ca 0.44 -1.34 -0.23 0.00 -1.03 0.00 0.00 54.13 51.97 3hrh s LEU 36 Cb -0.08 -2.29 -0.10 0.00 0.03 0.00 0.00 46.19 43.75 3hrh s LEU 36 CO 0.29 -0.87 0.90 -0.76 0.23 0.00 0.00 176.35 176.15 3hrh s LEU 37 N 2.14 4.20 0.78 1.79 1.43 0.00 -4.24 118.68 124.79 3hrh s LEU 37 Ca 0.08 1.69 -0.05 0.00 -1.03 0.00 0.00 54.13 54.82 3hrh s LEU 37 Cb -0.24 -4.11 0.14 0.00 0.03 0.00 0.00 46.19 42.01 3hrh s LEU 37 CO 0.07 -0.15 1.08 -0.62 0.23 0.00 0.00 176.35 176.96 3hrh s ASP 38 N -1.83 4.10 0.27 2.29 -1.08 -1.26 -4.33 116.67 114.82 3hrh s ASP 38 Ca 0.53 -0.10 0.00 0.00 -0.52 0.00 0.00 52.55 52.46 3hrh s ASP 38 Cb -0.15 -0.24 0.00 0.00 -1.46 0.00 0.00 42.92 41.07 3hrh s ASP 38 CO 0.20 -2.04 0.00 0.61 0.52 0.00 0.00 175.17 174.45 3hrh n GLY 39 N -3.08 0.95 0.36 2.66 0.00 -1.26 -4.04 105.19 100.79 3hrh n GLY 39 Ca 0.14 -1.97 0.11 0.00 0.00 0.00 0.00 46.02 44.30 3hrh n GLY 39 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hrh h LEU 40 N 0.00 0.52 -3.82 0.99 5.85 -1.94 -2.75 115.31 114.16 3hrh h LEU 40 Ca 0.00 0.02 -0.53 0.00 0.84 0.00 0.00 57.88 58.21 3hrh h LEU 40 Cb 0.00 -0.09 -0.26 0.00 0.37 0.00 0.00 40.66 40.68 3hrh h LEU 40 CO 0.00 0.30 0.68 0.54 -0.34 0.00 0.00 178.44 179.62 3hrh n ARG 41 N -4.49 2.30 -1.66 1.25 1.74 -1.26 -1.82 116.66 112.72 3hrh n ARG 41 Ca 0.12 -2.77 -0.47 0.00 -0.77 0.00 0.00 57.85 53.96 3hrh n ARG 41 Cb 0.38 -2.09 -0.05 0.00 -1.02 0.00 0.00 32.46 29.69 3hrh n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hrh n ALA 42 N -0.78 0.88 -2.33 7.54 0.00 -1.04 -4.98 120.51 119.80 3hrh n ALA 42 Ca 0.54 0.45 -0.23 0.00 0.00 0.00 0.00 53.44 54.19 3hrh n ALA 42 Cb 1.08 -2.31 0.01 0.00 0.00 0.00 0.00 19.45 18.23 3hrh n ALA 42 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hrh s GLN 43 N 1.08 3.11 0.00 0.00 -0.21 -1.26 -3.94 119.66 118.44 3hrh s GLN 43 Ca 0.81 -0.41 0.28 0.00 0.02 0.00 0.00 55.36 56.06 3hrh s GLN 43 Cb -0.74 -2.54 1.07 0.00 1.00 0.00 0.00 33.01 31.81 3hrh s GLN 43 CO 0.41 -0.27 1.77 -0.25 -2.12 0.00 0.00 175.29 174.83 3hrh n ASP 44 N -2.10 0.47 -0.13 5.90 10.43 -1.26 -1.77 116.55 128.08 3hrh n ASP 44 Ca 0.01 -0.41 -0.27 0.00 2.57 0.00 0.00 54.79 56.69 3hrh n ASP 44 Cb 0.57 -0.06 -0.09 0.00 1.84 0.00 0.00 41.12 43.38 3hrh n ASP 44 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 3hrh n ASP 45 N -1.08 1.90 -3.97 -2.24 3.85 -1.26 -4.76 116.55 108.99 3hrh n ASP 45 Ca 0.12 0.33 -0.09 0.00 -0.71 0.00 0.00 54.79 54.43 3hrh n ASP 45 Cb 0.30 -0.79 -0.11 0.00 -1.35 0.00 0.00 41.12 39.17 3hrh n ASP 45 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 3hrh s TYR 46 N -2.54 0.23 0.37 2.11 2.02 -1.26 -5.01 117.35 113.27 3hrh s TYR 46 Ca -0.37 -0.47 -0.26 0.00 -0.37 0.00 0.00 57.07 55.60 3hrh s TYR 46 Cb 0.13 -0.17 -0.09 0.00 -0.40 0.00 0.00 41.96 41.44 3hrh s TYR 46 CO 0.47 -0.17 1.16 1.21 -1.57 0.00 0.00 175.55 176.65 3hrh s ASN 47 N -1.30 6.69 0.48 2.29 3.84 -1.26 -4.26 114.94 121.41 3hrh s ASN 47 Ca -0.14 2.34 0.22 0.00 0.21 0.00 0.00 52.86 55.50 3hrh s ASN 47 Cb -0.09 -2.62 1.25 0.00 -0.55 0.00 0.00 41.25 39.24 3hrh s ASN 47 CO -0.01 -0.56 1.91 1.23 -2.79 0.00 0.00 177.10 176.89 3hrh h GLY 48 N 2.89 0.41 1.39 1.21 0.00 -1.93 -1.25 103.07 105.78 3hrh h GLY 48 Ca -0.48 -0.09 -0.09 0.00 0.00 0.00 0.00 47.33 46.67 3hrh h GLY 48 CO 0.63 0.01 -0.09 1.49 0.00 0.00 0.00 176.54 178.59 3hrh h TRP 49 N 0.21 0.80 0.01 5.60 4.06 -1.91 -0.86 115.95 123.86 3hrh h TRP 49 Ca 0.38 -0.13 -0.19 0.00 2.06 0.00 0.00 58.89 61.00 3hrh h TRP 49 Cb 1.18 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 29.11 3hrh h TRP 49 CO -0.00 0.79 -0.90 0.22 -3.56 0.00 0.00 178.44 174.99 3hrh h ASP 50 N 0.67 0.11 0.32 -3.49 -0.00 -1.49 -0.62 116.42 111.92 3hrh h ASP 50 Ca 0.12 -0.10 -0.17 0.00 -0.00 0.00 0.00 57.03 56.89 3hrh h ASP 50 Cb 0.55 -0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 39.83 3hrh h ASP 50 CO 0.03 0.95 -0.68 0.40 -0.00 0.00 0.00 179.24 179.95 3hrh h ILE 51 N 0.04 1.39 -0.00 2.25 2.04 -1.16 -3.38 117.51 118.68 3hrh h ILE 51 Ca -0.03 -2.09 0.00 0.00 1.00 0.00 0.00 64.86 63.74 3hrh h ILE 51 Cb 1.57 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 39.72 3hrh h ILE 51 CO 0.13 0.62 -0.16 0.59 0.00 0.00 0.00 178.15 179.33 3hrh n ASN 52 N -3.84 0.66 -4.12 1.72 3.02 -0.35 -5.08 115.26 107.27 3hrh n ASN 52 Ca -0.03 -0.83 -0.11 0.00 -0.03 0.00 0.00 54.58 53.58 3hrh n ASN 52 Cb 0.67 0.67 -0.09 0.00 -0.61 0.00 0.00 39.78 40.42 3hrh n ASN 52 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3hrh s THR 53 N -1.15 0.03 -0.32 3.41 -4.23 -0.24 -4.88 115.64 108.26 3hrh s THR 53 Ca 0.04 -1.78 0.02 0.00 -1.18 0.00 0.00 61.69 58.78 3hrh s THR 53 Cb 0.04 -2.25 0.42 0.00 1.34 0.00 0.00 72.50 72.06 3hrh s THR 53 CO 0.16 -0.15 1.68 -2.65 -0.54 0.00 0.00 174.62 173.12 3hrh n PRO 54 N -0.24 1.88 -0.23 3.99 -0.02 -1.26 -4.53 135.00 134.58 3hrh n PRO 54 Ca -0.02 -2.03 -0.03 0.00 -2.02 0.00 0.00 63.50 59.40 3hrh n PRO 54 Cb 0.64 -1.79 0.03 0.00 -0.02 0.00 0.00 33.50 32.36 3hrh n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hrh h ALA 55 N 1.39 0.12 0.12 3.55 0.00 -1.95 0.29 119.26 122.78 3hrh h ALA 55 Ca 0.42 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.55 3hrh h ALA 55 Cb 2.03 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 20.55 3hrh h ALA 55 CO 0.79 -0.60 -0.21 0.74 0.00 0.00 0.00 179.25 179.97 3hrh h PHE 56 N -0.10 -0.56 -0.59 0.00 0.05 -1.90 -2.14 116.94 111.70 3hrh h PHE 56 Ca 0.28 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 62.07 3hrh h PHE 56 Cb 0.55 0.23 -0.03 0.00 2.00 0.00 0.00 35.95 38.70 3hrh h PHE 56 CO -0.65 -0.31 0.33 1.49 -0.18 0.00 0.00 178.31 179.00 3hrh h GLU 57 N -0.40 0.80 0.00 1.51 4.81 -1.73 -1.38 114.58 118.18 3hrh h GLU 57 Ca 0.02 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 3hrh h GLU 57 Cb 0.42 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3hrh h GLU 57 CO -0.11 0.58 -0.23 0.93 -0.73 0.00 0.00 179.01 179.45 3hrh h GLU 58 N 0.81 0.00 -0.46 1.92 5.08 -0.06 -2.74 114.58 119.13 3hrh h GLU 58 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3hrh h GLU 58 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3hrh h GLU 58 CO -0.04 0.23 0.00 0.66 -1.00 0.00 0.00 179.01 178.86 3hrh n TYR 59 N -3.76 0.61 -1.85 4.33 4.02 -0.80 -4.95 117.16 114.76 3hrh n TYR 59 Ca -0.01 -0.44 -0.42 0.00 -0.01 0.00 0.00 57.90 57.02 3hrh n TYR 59 Cb 0.34 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.61 3hrh n TYR 59 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3hrh s TYR 60 N -1.05 2.31 -1.22 -0.72 5.04 -0.59 -2.62 117.35 118.50 3hrh s TYR 60 Ca 0.33 0.19 -0.04 0.00 -2.44 0.00 0.00 57.07 55.10 3hrh s TYR 60 Cb 0.18 -4.05 -0.01 0.00 0.35 0.00 0.00 41.96 38.43 3hrh s TYR 60 CO 0.23 -4.25 0.79 1.04 -1.34 0.00 0.00 175.55 172.03 3hrh n GLN 61 N 5.65 -4.07 -0.06 4.97 6.02 -1.26 -4.88 117.38 123.75 3hrh n GLN 61 Ca 0.17 0.67 0.05 0.00 -0.01 0.00 0.00 57.00 57.87 3hrh n GLN 61 Cb 0.40 -5.21 0.08 0.00 1.02 0.00 0.00 30.24 26.52 3hrh n GLN 61 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3hrh n SER 62 N -3.03 2.21 -0.17 1.08 3.41 -1.08 -4.93 113.62 111.11 3hrh n SER 62 Ca -0.23 -1.65 -0.02 0.00 -0.26 0.00 0.00 58.87 56.72 3hrh n SER 62 Cb 0.65 -0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.51 3hrh n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hrh n GLY 63 N 0.47 0.56 3.13 5.00 0.00 -1.24 -4.96 105.19 108.16 3hrh n GLY 63 Ca 0.07 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 3hrh n GLY 63 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrh s LEU 64 N -0.51 2.21 0.14 0.99 1.43 -1.06 -4.34 118.68 117.54 3hrh s LEU 64 Ca 0.00 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.54 3hrh s LEU 64 Cb 0.00 -0.48 -0.06 0.00 0.03 0.00 0.00 46.19 45.68 3hrh s LEU 64 CO 0.00 -0.04 0.39 -0.44 0.23 0.00 0.00 176.35 176.50 3hrh s SER 65 N -1.33 6.52 -0.13 2.29 0.01 -0.13 -4.18 113.70 116.76 3hrh s SER 65 Ca -0.01 0.64 0.02 0.00 1.31 0.00 0.00 55.95 57.91 3hrh s SER 65 Cb -0.08 -2.11 -0.00 0.00 0.21 0.00 0.00 66.02 64.03 3hrh s SER 65 CO 0.01 0.06 -0.20 -0.69 0.41 0.00 0.00 173.24 172.83 3hrh s VAL 66 N -1.64 2.39 -0.19 3.43 1.01 -0.44 0.30 120.40 125.25 3hrh s VAL 66 Ca 0.41 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.51 3hrh s VAL 66 Cb -0.12 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.33 3hrh s VAL 66 CO 0.23 0.54 -0.15 -0.63 0.00 0.00 0.00 175.10 175.09 3hrh s ILE 67 N 0.54 1.92 -0.52 2.22 1.01 -0.80 -1.38 121.20 124.19 3hrh s ILE 67 Ca -0.12 -1.04 -0.01 0.00 0.00 0.00 0.00 60.65 59.47 3hrh s ILE 67 Cb -0.17 -1.85 0.14 0.00 0.01 0.00 0.00 42.46 40.59 3hrh s ILE 67 CO 0.04 0.34 0.31 -0.04 0.00 0.00 0.00 174.94 175.59 3hrh s MET 68 N 1.31 2.21 0.62 2.79 -1.94 0.14 -1.56 119.30 122.87 3hrh s MET 68 Ca 0.01 -2.26 -0.18 0.00 -1.71 0.00 0.00 55.69 51.55 3hrh s MET 68 Cb -0.15 -3.58 -0.02 0.00 2.01 0.00 0.00 34.83 33.08 3hrh s MET 68 CO -0.10 -1.11 1.19 -1.25 -0.01 0.00 0.00 175.02 173.74 3hrh s PRO 69 N 0.38 2.85 -0.07 2.03 0.04 -1.26 -0.75 135.00 138.22 3hrh s PRO 69 Ca 0.14 1.75 0.02 0.00 0.04 0.00 0.00 61.00 62.95 3hrh s PRO 69 Cb -0.22 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 3hrh s PRO 69 CO -0.04 -1.28 -0.12 0.08 0.04 0.00 0.00 177.00 175.68 3hrh s VAL 70 N -1.75 3.20 0.00 -0.36 1.01 0.11 -4.58 120.40 118.04 3hrh s VAL 70 Ca 0.75 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3hrh s VAL 70 Cb -0.29 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.81 3hrh s VAL 70 CO 0.35 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.64 3hrh n GLY 71 N 2.55 -1.81 0.79 4.51 0.00 -0.73 -4.45 105.19 106.06 3hrh n GLY 71 Ca -0.17 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.90 3hrh n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrh n GLY 72 N -0.00 1.25 3.66 -0.02 0.00 -1.26 -4.81 105.19 104.00 3hrh n GLY 72 Ca 0.00 -0.37 -0.51 0.00 0.00 0.00 0.00 46.02 45.14 3hrh n GLY 72 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hrh n GLN 73 N -1.25 1.60 -1.80 1.61 7.27 -1.25 -0.91 117.38 122.65 3hrh n GLN 73 Ca 0.00 0.58 -0.18 0.00 0.07 0.00 0.00 57.00 57.47 3hrh n GLN 73 Cb 0.16 -2.31 -0.06 0.00 2.41 0.00 0.00 30.24 30.45 3hrh n GLN 73 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 3hrh n SER 74 N 4.42 -4.86 0.07 1.69 7.64 -0.76 -4.86 113.62 116.96 3hrh n SER 74 Ca 0.21 0.32 0.03 0.00 1.01 0.00 0.00 58.87 60.44 3hrh n SER 74 Cb 0.22 -4.27 -0.04 0.00 -1.01 0.00 0.00 64.21 59.11 3hrh n SER 74 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3hrh h SER 75 N 0.00 0.00 -0.31 6.43 4.64 -1.34 -3.48 113.55 119.49 3hrh h SER 75 Ca -0.38 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.80 3hrh h SER 75 Cb 1.21 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.25 3hrh h SER 75 CO 0.52 0.46 -0.12 0.49 -0.87 0.00 0.00 176.83 177.31 3hrh n PHE 76 N -2.93 0.00 -3.91 4.77 3.01 -1.26 -2.72 117.46 114.41 3hrh n PHE 76 Ca -0.05 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.10 3hrh n PHE 76 Cb 0.77 -2.15 0.00 0.00 -0.01 0.00 0.00 39.48 38.09 3hrh n PHE 76 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3hrh n TYR 77 N -2.30 -2.03 -4.38 1.38 4.02 -1.26 -4.79 117.16 107.81 3hrh n TYR 77 Ca -0.07 0.79 -0.29 0.00 -0.01 0.00 0.00 57.90 58.33 3hrh n TYR 77 Cb 0.47 -3.47 -0.06 0.00 -0.02 0.00 0.00 39.34 36.26 3hrh n TYR 77 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3hrh s THR 78 N -3.22 1.66 -0.34 -0.72 -1.32 -1.10 -3.13 115.64 107.47 3hrh s THR 78 Ca 0.65 -1.80 -0.17 0.00 -1.21 0.00 0.00 61.69 59.16 3hrh s THR 78 Cb -0.34 -2.46 -0.01 0.00 -1.51 0.00 0.00 72.50 68.18 3hrh s THR 78 CO 0.80 0.00 0.44 -1.81 -2.21 0.00 0.00 174.62 171.83 3hrh s ASP 79 N -3.96 6.26 0.56 8.08 1.11 -1.26 -2.67 116.67 124.78 3hrh s ASP 79 Ca 0.25 -0.06 -0.15 0.00 0.18 0.00 0.00 52.55 52.76 3hrh s ASP 79 Cb 0.02 -2.23 -0.06 0.00 1.07 0.00 0.00 42.92 41.72 3hrh s ASP 79 CO 0.14 -0.39 1.01 0.26 1.18 0.00 0.00 175.17 177.37 3hrh s TRP 80 N 2.21 3.41 0.13 4.23 0.52 0.24 -4.93 118.94 124.75 3hrh s TRP 80 Ca 0.16 1.43 -0.11 0.00 0.02 0.00 0.00 56.10 57.60 3hrh s TRP 80 Cb -0.16 -2.81 -0.08 0.00 -1.15 0.00 0.00 33.47 29.27 3hrh s TRP 80 CO 0.12 -0.58 1.40 1.88 0.02 0.00 0.00 176.95 179.80 3hrh h TYR 81 N 0.52 1.07 -3.51 -1.98 0.05 -1.20 -3.46 116.97 108.46 3hrh h TYR 81 Ca -0.46 -0.39 -0.08 0.00 0.05 0.00 0.00 58.73 57.85 3hrh h TYR 81 Cb 1.19 -0.20 -0.06 0.00 1.01 0.00 0.00 36.73 38.67 3hrh h TYR 81 CO 0.63 1.22 0.00 1.14 -1.05 0.00 0.00 178.16 180.11 3hrh s GLN 82 N -4.07 1.81 0.72 4.88 -2.07 -0.99 -5.08 119.66 114.86 3hrh s GLN 82 Ca -0.10 -1.36 -0.15 0.00 -1.82 0.00 0.00 55.36 51.92 3hrh s GLN 82 Cb 0.10 0.52 0.03 0.00 -1.09 0.00 0.00 33.01 32.57 3hrh s GLN 82 CO 0.89 -0.79 1.22 -2.14 -1.32 0.00 0.00 175.29 173.15 3hrh s PRO 83 N -3.44 2.19 -0.00 9.60 0.02 -1.26 -4.67 135.00 137.43 3hrh s PRO 83 Ca 0.21 1.81 -0.30 0.00 0.02 0.00 0.00 61.00 62.74 3hrh s PRO 83 Cb -0.02 -1.83 -0.07 0.00 0.02 0.00 0.00 34.50 32.59 3hrh s PRO 83 CO 0.12 -1.81 1.73 0.45 -0.33 0.00 0.00 177.00 177.16 3hrh s SER 84 N -1.93 6.60 -1.11 2.53 0.15 -1.26 -4.88 113.70 113.81 3hrh s SER 84 Ca 0.76 2.40 -0.16 0.00 0.70 0.00 0.00 55.95 59.65 3hrh s SER 84 Cb -0.30 -2.54 0.15 0.00 -1.71 0.00 0.00 66.02 61.62 3hrh s SER 84 CO 0.44 -0.95 1.33 -1.10 1.20 0.00 0.00 173.24 174.16 3hrh s GLN 85 N 3.84 3.90 0.00 5.44 -1.52 -1.26 -3.86 119.66 126.20 3hrh s GLN 85 Ca 0.77 -2.25 0.00 0.00 -1.95 0.00 0.00 55.36 51.93 3hrh s GLN 85 Cb -0.37 -5.02 0.00 0.00 -0.22 0.00 0.00 33.01 27.40 3hrh s GLN 85 CO 0.33 -1.79 0.00 -1.13 -0.25 0.00 0.00 175.29 172.46 3hrh n SER 86 N 6.08 0.00 -0.98 5.90 3.41 -1.26 -4.82 113.62 121.94 3hrh n SER 86 Ca 0.32 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 59.03 3hrh n SER 86 Cb 0.45 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.60 3hrh n SER 86 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hrh n ASN 87 N 0.00 3.24 -0.06 4.04 0.23 -1.23 -4.97 115.26 116.51 3hrh n ASN 87 Ca 0.00 -1.93 -0.01 0.00 -0.53 0.00 0.00 54.58 52.11 3hrh n ASN 87 Cb 0.00 -0.26 -0.00 0.00 -2.08 0.00 0.00 39.78 37.44 3hrh n ASN 87 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hrh n GLY 88 N 1.19 0.48 3.66 4.83 0.00 -1.26 -4.97 105.19 109.13 3hrh n GLY 88 Ca 0.17 -0.37 -0.53 0.00 0.00 0.00 0.00 46.02 45.29 3hrh n GLY 88 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hrh n GLN 89 N -2.73 1.44 -0.21 1.61 7.27 -1.25 -4.84 117.38 118.67 3hrh n GLN 89 Ca -0.01 0.53 0.08 0.00 0.07 0.00 0.00 57.00 57.67 3hrh n GLN 89 Cb 0.06 -2.23 0.23 0.00 2.41 0.00 0.00 30.24 30.71 3hrh n GLN 89 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 3hrh n ASN 90 N 4.26 2.45 -3.83 1.69 2.04 -1.26 -4.49 115.26 116.12 3hrh n ASN 90 Ca 0.22 -1.96 -0.12 0.00 -0.44 0.00 0.00 54.58 52.27 3hrh n ASN 90 Cb 0.20 -0.28 -0.07 0.00 -2.53 0.00 0.00 39.78 37.10 3hrh n ASN 90 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 3hrh s TYR 91 N -1.44 0.96 -0.21 -2.53 -0.85 -1.26 -5.07 117.35 106.94 3hrh s TYR 91 Ca 0.32 -1.19 -0.06 0.00 -0.52 0.00 0.00 57.07 55.62 3hrh s TYR 91 Cb 0.17 -0.24 -0.03 0.00 0.38 0.00 0.00 41.96 42.24 3hrh s TYR 91 CO 0.23 -0.89 0.02 0.99 -1.52 0.00 0.00 175.55 174.38 3hrh s THR 92 N -3.79 4.10 0.12 -3.49 2.01 -1.26 -4.28 115.64 109.05 3hrh s THR 92 Ca 0.32 -0.26 -0.32 0.00 0.31 0.00 0.00 61.69 61.75 3hrh s THR 92 Cb 0.02 -2.87 -0.11 0.00 0.01 0.00 0.00 72.50 69.55 3hrh s THR 92 CO 0.15 0.41 1.82 -1.22 -0.69 0.00 0.00 174.62 175.08 3hrh n TYR 93 N 4.39 2.59 -2.74 4.92 4.01 -1.26 -4.66 117.16 124.41 3hrh n TYR 93 Ca -0.17 -0.11 -0.14 0.00 -0.16 0.00 0.00 57.90 57.33 3hrh n TYR 93 Cb 0.52 -2.71 0.01 0.00 -0.31 0.00 0.00 39.34 36.85 3hrh n TYR 93 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3hrh n LYS 94 N 5.49 1.51 0.14 -0.72 4.76 -1.26 -0.59 118.16 127.50 3hrh n LYS 94 Ca 0.18 -3.51 0.01 0.00 -2.87 0.00 0.00 58.31 52.12 3hrh n LYS 94 Cb 0.36 -1.50 0.34 0.00 -1.84 0.00 0.00 35.03 32.38 3hrh n LYS 94 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 3hrh h TRP 95 N 2.94 0.15 -0.41 2.13 4.06 -1.77 -1.32 115.95 121.72 3hrh h TRP 95 Ca 0.00 -0.03 -0.11 0.00 2.06 0.00 0.00 58.89 60.82 3hrh h TRP 95 Cb 1.08 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 29.19 3hrh h TRP 95 CO 0.55 0.43 -0.16 1.49 -3.56 0.00 0.00 178.44 177.19 3hrh h GLU 96 N 0.12 0.83 -0.48 0.49 4.81 -1.67 0.16 114.58 118.84 3hrh h GLU 96 Ca 0.02 -0.35 -0.02 0.00 -0.13 0.00 0.00 59.36 58.88 3hrh h GLU 96 Cb 0.60 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 3hrh h GLU 96 CO 0.04 0.98 0.24 1.15 -0.73 0.00 0.00 179.01 180.69 3hrh h THR 97 N 0.65 1.18 -0.29 0.32 2.02 -1.86 -0.49 112.91 114.44 3hrh h THR 97 Ca 0.10 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 3hrh h THR 97 Cb 0.71 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3hrh h THR 97 CO 0.05 0.20 0.11 0.15 0.37 0.00 0.00 175.52 176.41 3hrh h PHE 98 N 0.64 0.44 0.00 3.16 3.57 -1.05 0.16 116.94 123.85 3hrh h PHE 98 Ca 0.17 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 3hrh h PHE 98 Cb 0.10 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3hrh h PHE 98 CO -0.01 0.43 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.12 3hrh h LEU 99 N 0.31 0.00 0.00 0.59 3.38 -0.52 0.20 115.31 119.27 3hrh h LEU 99 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3hrh h LEU 99 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3hrh h LEU 99 CO -0.01 0.31 -0.90 0.35 0.09 0.00 0.00 178.44 178.28 3hrh n THR 100 N -3.40 0.00 0.01 0.22 -2.24 -0.21 -4.52 114.28 104.14 3hrh n THR 100 Ca 0.00 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3hrh n THR 100 Cb 0.50 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 3hrh n THR 100 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hrh n ARG 101 N -1.50 0.00 0.17 -0.78 3.00 0.53 -4.84 116.66 113.24 3hrh n ARG 101 Ca 0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.85 57.71 3hrh n ARG 101 Cb 0.25 -0.08 -0.08 0.00 0.00 0.00 0.00 32.46 32.55 3hrh n ARG 101 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3hrh h GLU 102 N 0.00 -0.39 -0.39 5.56 5.08 -1.46 -2.75 114.58 120.23 3hrh h GLU 102 Ca 0.00 0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3hrh h GLU 102 Cb 0.00 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3hrh h GLU 102 CO 0.00 -0.16 0.07 1.98 -1.00 0.00 0.00 179.01 179.90 3hrh h MET 103 N -0.57 0.65 -0.44 2.33 4.05 -0.89 -1.55 114.93 118.50 3hrh h MET 103 Ca -0.04 -0.17 -0.04 0.00 -0.28 0.00 0.00 59.70 59.16 3hrh h MET 103 Cb 0.42 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 3hrh h MET 103 CO 0.07 0.69 0.09 -1.35 0.23 0.00 0.00 176.91 176.64 3hrh h PRO 104 N 0.49 0.67 -0.31 0.39 0.11 -1.75 0.17 132.00 131.78 3hrh h PRO 104 Ca 0.12 -0.13 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 3hrh h PRO 104 Cb 0.36 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 3hrh h PRO 104 CO 0.01 0.63 -0.21 0.00 -0.21 0.00 0.00 178.00 178.22 3hrh h ALA 105 N 1.45 0.44 -0.35 -0.75 0.00 -1.37 -0.84 119.26 117.84 3hrh h ALA 105 Ca 0.15 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 3hrh h ALA 105 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hrh h ALA 105 CO 0.00 0.39 -0.39 2.35 0.00 0.00 0.00 179.25 181.60 3hrh h TRP 106 N 0.44 1.02 -0.33 0.00 7.01 -1.00 -2.73 115.95 120.36 3hrh h TRP 106 Ca 0.06 -0.31 -0.11 0.00 2.11 0.00 0.00 58.89 60.65 3hrh h TRP 106 Cb 0.75 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.58 3hrh h TRP 106 CO 0.07 1.10 -0.24 -0.07 -2.79 0.00 0.00 178.44 176.51 3hrh h LEU 107 N 0.70 0.65 -0.06 0.65 3.38 -0.61 -1.38 115.31 118.64 3hrh h LEU 107 Ca 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3hrh h LEU 107 Cb 0.97 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 3hrh h LEU 107 CO 0.09 0.87 -0.01 -0.61 0.09 0.00 0.00 178.44 178.88 3hrh h GLN 108 N 0.56 0.11 -0.19 1.13 4.15 -1.08 0.13 115.11 119.92 3hrh h GLN 108 Ca 0.08 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.33 3hrh h GLN 108 Cb 0.71 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.38 3hrh h GLN 108 CO 0.05 0.41 -0.45 0.00 -1.93 0.00 0.00 178.83 176.92 3hrh h ALA 109 N 0.70 0.87 0.00 3.38 0.00 -1.47 -2.35 119.26 120.38 3hrh h ALA 109 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3hrh h ALA 109 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hrh h ALA 109 CO 0.00 0.65 -1.77 0.09 0.00 0.00 0.00 179.25 178.22 3hrh n ASN 110 N -4.00 0.53 0.00 0.00 3.02 -0.52 -4.63 115.26 109.66 3hrh n ASN 110 Ca -0.02 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 3hrh n ASN 110 Cb 0.53 1.78 0.00 0.00 -0.61 0.00 0.00 39.78 41.49 3hrh n ASN 110 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3hrh n LYS 111 N -2.09 0.82 -2.44 3.52 4.76 0.41 -5.02 118.16 118.12 3hrh n LYS 111 Ca -0.03 -0.74 -0.21 0.00 -2.87 0.00 0.00 58.31 54.47 3hrh n LYS 111 Cb 0.49 -0.74 -0.01 0.00 -1.84 0.00 0.00 35.03 32.93 3hrh n LYS 111 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hrh n GLY 112 N -0.16 -0.49 3.81 0.72 0.00 -0.88 -4.94 105.19 103.25 3hrh n GLY 112 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3hrh n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hrh s VAL 113 N -3.05 5.11 0.12 1.61 1.01 -1.10 -4.69 120.40 119.41 3hrh s VAL 113 Ca 0.02 0.78 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 3hrh s VAL 113 Cb -0.01 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 3hrh s VAL 113 CO 0.03 0.53 1.07 -0.55 0.00 0.00 0.00 175.10 176.18 3hrh s SER 114 N -0.70 7.29 0.17 3.32 0.15 0.61 -3.46 113.70 121.08 3hrh s SER 114 Ca 0.23 1.96 0.21 0.00 0.70 0.00 0.00 55.95 59.05 3hrh s SER 114 Cb -0.16 -2.59 0.87 0.00 -1.71 0.00 0.00 66.02 62.43 3hrh s SER 114 CO 0.11 -0.24 1.65 -2.65 1.20 0.00 0.00 173.24 173.32 3hrh n PRO 115 N 2.92 0.14 -4.49 5.44 -0.02 -1.26 -4.77 135.00 132.94 3hrh n PRO 115 Ca 0.04 0.35 -0.24 0.00 -2.02 0.00 0.00 63.50 61.62 3hrh n PRO 115 Cb 0.47 -1.75 -0.10 0.00 -0.02 0.00 0.00 33.50 32.10 3hrh n PRO 115 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hrh s THR 116 N -3.20 2.19 -0.82 3.45 -4.23 -1.26 -4.46 115.64 107.30 3hrh s THR 116 Ca 0.06 -2.25 -0.04 0.00 -1.18 0.00 0.00 61.69 58.28 3hrh s THR 116 Cb 0.10 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.45 3hrh s THR 116 CO 0.37 -0.29 0.54 0.61 -0.54 0.00 0.00 174.62 175.31 3hrh n GLY 117 N -0.69 0.06 3.89 3.99 0.00 -0.28 -4.91 105.19 107.25 3hrh n GLY 117 Ca -0.05 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 3hrh n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hrh s ASN 118 N -3.04 4.69 -0.05 1.61 0.01 0.04 -4.64 114.94 113.57 3hrh s ASN 118 Ca 0.27 -1.14 0.07 0.00 -0.71 0.00 0.00 52.86 51.35 3hrh s ASN 118 Cb -0.12 0.16 -0.01 0.00 0.41 0.00 0.00 41.25 41.69 3hrh s ASN 118 CO 0.33 -0.98 -0.25 0.00 -1.51 0.00 0.00 177.10 174.69 3hrh s ALA 119 N -2.70 2.17 -0.31 0.60 0.00 -0.41 -3.12 121.76 117.98 3hrh s ALA 119 Ca 0.38 -1.07 -0.07 0.00 0.00 0.00 0.00 51.96 51.20 3hrh s ALA 119 Cb -0.02 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.47 3hrh s ALA 119 CO 0.23 0.45 0.09 0.00 0.00 0.00 0.00 175.76 176.53 3hrh s ALA 120 N -0.28 3.07 -0.21 0.00 0.00 -0.42 0.18 121.76 124.09 3hrh s ALA 120 Ca 0.00 -1.53 -0.03 0.00 0.00 0.00 0.00 51.96 50.40 3hrh s ALA 120 Cb -0.13 -2.20 -0.00 0.00 0.00 0.00 0.00 23.12 20.79 3hrh s ALA 120 CO 0.02 -1.04 -0.08 0.08 0.00 0.00 0.00 175.76 174.74 3hrh s VAL 121 N 1.48 3.05 0.16 0.00 1.01 0.02 0.06 120.40 126.18 3hrh s VAL 121 Ca 0.02 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.45 3hrh s VAL 121 Cb -0.18 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3hrh s VAL 121 CO 0.03 0.45 -0.13 -0.83 0.00 0.00 0.00 175.10 174.62 3hrh s GLY 122 N 1.43 1.18 0.04 4.51 0.00 -0.36 -0.82 107.32 113.30 3hrh s GLY 122 Ca 0.06 -1.48 0.01 0.00 0.00 0.00 0.00 44.72 43.30 3hrh s GLY 122 CO -0.06 -1.56 -0.05 0.48 0.00 0.00 0.00 173.10 171.91 3hrh s LEU 123 N -2.98 2.34 0.00 0.66 -0.00 -1.26 -0.44 118.68 117.00 3hrh s LEU 123 Ca 0.16 -0.69 0.00 0.00 -0.00 0.00 0.00 54.13 53.60 3hrh s LEU 123 Cb -0.01 0.03 0.00 0.00 -0.00 0.00 0.00 46.19 46.21 3hrh s LEU 123 CO 0.03 -0.36 0.00 -0.24 -0.00 0.00 0.00 176.35 175.78 3hrh n SER 124 N 1.01 0.00 -0.18 1.48 2.88 0.10 -1.06 113.62 117.85 3hrh n SER 124 Ca -0.20 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.31 3hrh n SER 124 Cb 0.57 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.07 3hrh n SER 124 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3hrh h MET 125 N 0.00 -0.07 -0.00 -1.46 1.85 -1.86 -1.77 114.93 111.62 3hrh h MET 125 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3hrh h MET 125 Cb 0.00 0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.05 3hrh h MET 125 CO 0.00 -0.05 -0.01 -1.13 -0.40 0.00 0.00 176.91 175.33 3hrh n SER 126 N -5.42 0.05 -0.24 1.39 3.41 -0.23 -3.96 113.62 108.62 3hrh n SER 126 Ca 0.05 -0.50 -0.01 0.00 -0.26 0.00 0.00 58.87 58.16 3hrh n SER 126 Cb 0.33 -0.17 0.11 0.00 -0.26 0.00 0.00 64.21 64.22 3hrh n SER 126 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3hrh h GLY 127 N 5.00 1.01 1.73 5.00 0.00 -1.17 -0.45 103.07 114.19 3hrh h GLY 127 Ca 0.00 -0.26 -0.18 0.00 0.00 0.00 0.00 47.33 46.89 3hrh h GLY 127 CO 0.00 0.15 -0.78 -1.33 0.00 0.00 0.00 176.54 174.59 3hrh h GLY 128 N 0.70 0.28 0.59 4.60 0.00 -1.74 -3.22 103.07 104.27 3hrh h GLY 128 Ca 0.31 -0.43 0.07 0.00 0.00 0.00 0.00 47.33 47.28 3hrh h GLY 128 CO -0.19 0.38 0.33 1.76 0.00 0.00 0.00 176.54 178.82 3hrh h SER 129 N 0.16 0.45 -0.19 0.19 0.02 -1.35 -0.30 113.55 112.54 3hrh h SER 129 Ca -0.03 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3hrh h SER 129 Cb 1.36 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 3hrh h SER 129 CO 0.12 0.28 0.09 0.00 -1.14 0.00 0.00 176.83 176.19 3hrh h ALA 130 N 1.37 0.22 -0.73 3.77 0.00 -1.16 -0.43 119.26 122.30 3hrh h ALA 130 Ca 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3hrh h ALA 130 Cb 0.26 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3hrh h ALA 130 CO -0.22 -0.33 0.44 -0.07 0.00 0.00 0.00 179.25 179.08 3hrh h LEU 131 N 0.20 0.88 -0.92 0.00 3.38 -1.44 -1.79 115.31 115.62 3hrh h LEU 131 Ca 0.07 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3hrh h LEU 131 Cb 0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3hrh h LEU 131 CO -0.05 0.68 0.12 0.40 0.09 0.00 0.00 178.44 179.68 3hrh h ILE 132 N 1.00 1.24 -0.54 1.22 1.08 -0.73 -0.45 117.51 120.33 3hrh h ILE 132 Ca 0.26 -0.90 -0.02 0.00 -0.39 0.00 0.00 64.86 63.81 3hrh h ILE 132 Cb -0.04 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 34.36 3hrh h ILE 132 CO -0.05 0.33 0.25 -0.07 -0.69 0.00 0.00 178.15 177.93 3hrh h LEU 133 N 0.87 0.71 -1.06 1.44 3.38 -0.55 -1.88 115.31 118.22 3hrh h LEU 133 Ca 0.18 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3hrh h LEU 133 Cb 0.35 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3hrh h LEU 133 CO 0.00 0.65 -0.22 0.00 0.09 0.00 0.00 178.44 178.96 3hrh h ALA 134 N 1.09 1.21 -0.45 1.53 0.00 -0.99 0.66 119.26 122.31 3hrh h ALA 134 Ca 0.18 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3hrh h ALA 134 Cb 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hrh h ALA 134 CO -0.02 0.51 0.13 0.00 0.00 0.00 0.00 179.25 179.87 3hrh h ALA 135 N 1.41 0.59 0.00 0.00 0.00 -0.52 -2.85 119.26 117.89 3hrh h ALA 135 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hrh h ALA 135 Cb 0.60 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3hrh h ALA 135 CO 0.04 0.24 -1.05 0.66 0.00 0.00 0.00 179.25 179.15 3hrh n TYR 136 N -4.55 0.08 -3.06 0.00 4.02 -0.76 -4.53 117.16 108.35 3hrh n TYR 136 Ca 0.01 0.02 -0.19 0.00 -0.01 0.00 0.00 57.90 57.73 3hrh n TYR 136 Cb 0.19 -0.22 -0.02 0.00 -0.02 0.00 0.00 39.34 39.27 3hrh n TYR 136 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3hrh n TYR 137 N -1.72 1.10 -0.25 -0.72 4.02 0.21 -4.96 117.16 114.85 3hrh n TYR 137 Ca 0.03 -3.72 0.16 0.00 -0.01 0.00 0.00 57.90 54.36 3hrh n TYR 137 Cb 0.39 -0.42 0.45 0.00 -0.02 0.00 0.00 39.34 39.74 3hrh n TYR 137 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3hrh h PRO 138 N 2.98 0.52 -0.35 -0.72 0.13 -1.70 0.18 132.00 133.04 3hrh h PRO 138 Ca 0.09 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 65.06 3hrh h PRO 138 Cb 0.90 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 3hrh h PRO 138 CO 0.57 0.34 -0.30 1.96 -0.23 0.00 0.00 178.00 180.34 3hrh h GLN 139 N 0.53 0.76 0.07 0.86 7.50 -1.92 -2.54 115.11 120.37 3hrh h GLN 139 Ca 0.46 -0.35 -0.25 0.00 0.50 0.00 0.00 58.65 59.02 3hrh h GLN 139 Cb 0.97 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.49 3hrh h GLN 139 CO -0.20 0.96 -1.10 0.37 -1.50 0.00 0.00 178.83 177.37 3hrh h GLN 140 N 0.64 0.32 -2.75 1.46 4.15 -1.51 -0.74 115.11 116.69 3hrh h GLN 140 Ca 0.07 -0.44 -0.61 0.00 0.77 0.00 0.00 58.65 58.45 3hrh h GLN 140 Cb 0.83 0.15 -0.40 0.00 0.21 0.00 0.00 27.48 28.27 3hrh h GLN 140 CO 0.07 1.16 -0.73 1.19 -1.93 0.00 0.00 178.83 178.58 3hrh n PHE 141 N -3.63 1.68 0.81 3.99 3.72 -0.05 -0.78 117.46 123.21 3hrh n PHE 141 Ca -0.07 -3.93 0.09 0.00 -0.05 0.00 0.00 57.45 53.49 3hrh n PHE 141 Cb 0.93 -0.30 0.45 0.00 -0.94 0.00 0.00 39.48 39.62 3hrh n PHE 141 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3hrh n PRO 142 N 2.19 0.18 -4.49 -1.08 -0.04 -0.96 -4.58 135.00 126.22 3hrh n PRO 142 Ca 0.24 0.13 -0.22 0.00 -0.04 0.00 0.00 63.50 63.61 3hrh n PRO 142 Cb 0.40 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.21 3hrh n PRO 142 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3hrh s TYR 143 N -2.71 1.16 -0.03 0.54 6.14 -1.23 -1.41 117.35 119.81 3hrh s TYR 143 Ca 0.15 -0.34 -0.03 0.00 0.64 0.00 0.00 57.07 57.50 3hrh s TYR 143 Cb 0.13 -0.84 0.01 0.00 0.42 0.00 0.00 41.96 41.68 3hrh s TYR 143 CO 0.31 -0.15 0.08 0.00 0.64 0.00 0.00 175.55 176.43 3hrh s ALA 144 N 0.33 -0.19 -0.05 3.97 0.00 -0.39 -1.31 121.76 124.12 3hrh s ALA 144 Ca -0.06 0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.21 3hrh s ALA 144 Cb -0.11 -0.17 -0.00 0.00 0.00 0.00 0.00 23.12 22.84 3hrh s ALA 144 CO 0.01 -0.05 -0.18 0.00 0.00 0.00 0.00 175.76 175.54 3hrh s ALA 145 N 0.20 1.62 -0.23 0.00 0.00 0.11 -1.14 121.76 122.32 3hrh s ALA 145 Ca -0.01 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.25 3hrh s ALA 145 Cb -0.02 -0.56 0.05 0.00 0.00 0.00 0.00 23.12 22.59 3hrh s ALA 145 CO -0.01 0.27 -0.12 0.45 0.00 0.00 0.00 175.76 176.35 3hrh s SER 146 N 0.13 3.86 -0.35 0.00 0.15 0.23 -1.23 113.70 116.49 3hrh s SER 146 Ca -0.07 -1.09 -0.08 0.00 0.70 0.00 0.00 55.95 55.41 3hrh s SER 146 Cb -0.13 -1.43 0.03 0.00 -1.71 0.00 0.00 66.02 62.78 3hrh s SER 146 CO 0.03 -0.14 0.14 -0.76 1.20 0.00 0.00 173.24 173.71 3hrh s LEU 147 N 1.23 4.42 -1.39 3.45 1.43 0.42 -1.45 118.68 126.79 3hrh s LEU 147 Ca -0.04 -1.02 -0.08 0.00 -1.03 0.00 0.00 54.13 51.96 3hrh s LEU 147 Cb -0.17 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 44.15 3hrh s LEU 147 CO -0.08 -0.33 0.97 -1.20 0.23 0.00 0.00 176.35 175.94 3hrh n SER 148 N 4.89 -4.00 -4.53 2.29 7.64 0.02 -0.72 113.62 119.22 3hrh n SER 148 Ca -0.12 -0.71 -0.26 0.00 1.01 0.00 0.00 58.87 58.79 3hrh n SER 148 Cb 0.46 -4.38 0.13 0.00 -1.01 0.00 0.00 64.21 59.40 3hrh n SER 148 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3hrh s GLY 149 N -3.70 1.75 -0.58 0.23 0.00 -1.26 -3.10 107.32 100.66 3hrh s GLY 149 Ca 0.40 -1.36 -0.02 0.00 0.00 0.00 0.00 44.72 43.74 3hrh s GLY 149 CO 0.79 -0.76 0.38 -1.36 0.00 0.00 0.00 173.10 172.15 3hrh s PHE 150 N -3.44 3.42 -1.39 1.90 0.08 -1.26 -4.84 117.98 112.45 3hrh s PHE 150 Ca 0.68 -2.73 0.04 0.00 0.12 0.00 0.00 56.93 55.04 3hrh s PHE 150 Cb -0.06 -3.16 0.17 0.00 -0.57 0.00 0.00 43.02 39.40 3hrh s PHE 150 CO 0.48 -0.85 0.94 1.28 -0.10 0.00 0.00 175.22 176.97 3hrh n LEU 151 N 3.61 1.51 -2.75 -0.37 4.77 -1.26 -4.05 117.00 118.46 3hrh n LEU 151 Ca 0.06 -0.76 -0.09 0.00 -0.03 0.00 0.00 56.01 55.19 3hrh n LEU 151 Cb 0.38 -0.34 0.06 0.00 -2.33 0.00 0.00 43.42 41.19 3hrh n LEU 151 CO 0.33 0.28 0.16 -3.20 -1.33 0.00 0.00 177.39 173.64 3hrh n ASN 152 N 0.07 -0.36 -0.16 -1.43 4.05 -1.26 -1.08 115.26 115.09 3hrh n ASN 152 Ca 0.06 -2.78 0.28 0.00 0.45 0.00 0.00 54.58 52.59 3hrh n ASN 152 Cb 0.31 0.34 0.72 0.00 1.23 0.00 0.00 39.78 42.39 3hrh n ASN 152 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3hrh h PRO 153 N 2.63 0.00 0.00 1.20 0.13 -1.90 -1.84 132.00 132.22 3hrh h PRO 153 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3hrh h PRO 153 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3hrh h PRO 153 CO 0.24 0.00 -0.39 -1.13 -0.23 0.00 0.00 178.00 176.49 3hrh n SER 154 N -4.28 0.57 -4.77 1.44 3.41 -1.26 -2.71 113.62 106.02 3hrh n SER 154 Ca 0.18 0.17 -0.39 0.00 -0.26 0.00 0.00 58.87 58.57 3hrh n SER 154 Cb 0.93 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.73 3hrh n SER 154 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hrh s GLU 155 N -3.09 4.57 2.11 4.33 -6.30 -0.69 -4.77 118.70 114.86 3hrh s GLU 155 Ca 0.09 1.16 0.00 0.00 -2.50 0.00 0.00 54.97 53.72 3hrh s GLU 155 Cb 0.15 -3.27 0.00 0.00 0.00 0.00 0.00 34.13 31.01 3hrh s GLU 155 CO 0.67 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.90 3hrh n GLY 156 N 1.66 2.55 0.18 -1.50 0.00 -1.26 -2.12 105.19 104.70 3hrh n GLY 156 Ca -0.05 0.33 0.12 0.00 0.00 0.00 0.00 46.02 46.42 3hrh n GLY 156 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3hrh h TRP 157 N 0.00 0.00 -0.82 1.61 4.06 -1.95 -3.38 115.95 115.47 3hrh h TRP 157 Ca 0.00 0.00 0.20 0.00 2.06 0.00 0.00 58.89 61.15 3hrh h TRP 157 Cb 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.02 3hrh h TRP 157 CO 0.00 0.00 0.03 -1.49 -3.56 0.00 0.00 178.44 173.42 3hrh h TRP 158 N 0.00 -0.02 -0.99 0.49 4.06 -1.67 0.19 115.95 118.00 3hrh h TRP 158 Ca 0.00 0.06 0.11 0.00 2.06 0.00 0.00 58.89 61.12 3hrh h TRP 158 Cb 0.93 0.14 -0.08 0.00 -1.00 0.00 0.00 29.16 29.15 3hrh h TRP 158 CO 0.00 -0.27 0.63 -1.35 -3.56 0.00 0.00 178.44 173.88 3hrh h PRO 159 N 0.10 0.96 -0.11 0.49 0.11 -1.70 0.19 132.00 132.04 3hrh h PRO 159 Ca 0.46 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.48 3hrh h PRO 159 Cb 0.85 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 3hrh h PRO 159 CO -0.72 0.64 -0.08 1.15 -0.21 0.00 0.00 178.00 178.78 3hrh h THR 160 N 0.99 1.34 -0.95 -1.15 2.02 -0.99 -1.88 112.91 112.29 3hrh h THR 160 Ca 0.48 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 3hrh h THR 160 Cb 0.46 1.89 -0.05 0.00 -1.74 0.00 0.00 68.15 68.72 3hrh h THR 160 CO -0.25 0.34 0.58 -0.07 0.37 0.00 0.00 175.52 176.50 3hrh h LEU 161 N -0.14 1.13 -0.55 2.58 3.38 -0.48 -0.94 115.31 120.29 3hrh h LEU 161 Ca 0.02 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3hrh h LEU 161 Cb 0.57 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3hrh h LEU 161 CO 0.02 0.86 0.11 0.40 0.09 0.00 0.00 178.44 179.92 3hrh h ILE 162 N 1.31 1.25 -0.65 1.22 2.04 -0.61 -1.77 117.51 120.30 3hrh h ILE 162 Ca 0.34 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 3hrh h ILE 162 Cb -0.08 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 3hrh h ILE 162 CO -0.07 0.34 0.40 1.23 0.00 0.00 0.00 178.15 180.05 3hrh h GLY 163 N 0.79 0.93 0.94 5.37 0.00 -0.61 0.66 103.07 111.16 3hrh h GLY 163 Ca 0.17 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 3hrh h GLY 163 CO 0.01 0.36 0.08 1.41 0.00 0.00 0.00 176.54 178.40 3hrh h LEU 164 N 0.88 0.64 -0.72 3.11 3.38 -1.06 -1.52 115.31 120.02 3hrh h LEU 164 Ca 0.23 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hrh h LEU 164 Cb -0.05 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 3hrh h LEU 164 CO -0.05 0.72 0.46 0.00 0.09 0.00 0.00 178.44 179.67 3hrh h ALA 165 N 0.94 0.92 -0.63 1.53 0.00 -0.93 0.02 119.26 121.10 3hrh h ALA 165 Ca 0.13 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3hrh h ALA 165 Cb 0.34 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3hrh h ALA 165 CO 0.00 0.36 0.06 0.52 0.00 0.00 0.00 179.25 180.20 3hrh h MET 166 N 0.98 1.07 -0.30 0.00 2.86 -0.72 -1.37 114.93 117.46 3hrh h MET 166 Ca 0.26 -0.31 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 3hrh h MET 166 Cb -0.08 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 3hrh h MET 166 CO -0.05 1.01 -0.27 -0.97 1.06 0.00 0.00 176.91 177.69 3hrh h ASN 167 N 0.98 0.61 0.85 1.22 -1.24 -0.83 -1.86 115.58 115.33 3hrh h ASN 167 Ca 0.19 -0.23 -0.10 0.00 0.71 0.00 0.00 56.30 56.87 3hrh h ASN 167 Cb 0.49 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 3hrh h ASN 167 CO 0.02 0.86 -0.47 0.44 -1.29 0.00 0.00 177.43 177.00 3hrh h ASP 168 N 0.52 0.00 -3.38 1.15 3.32 -0.75 -0.26 116.42 117.02 3hrh h ASP 168 Ca 0.07 0.00 -0.79 0.00 0.02 0.00 0.00 57.03 56.33 3hrh h ASP 168 Cb 0.74 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.00 3hrh h ASP 168 CO 0.06 0.47 0.44 -0.24 -1.72 0.00 0.00 179.24 178.24 3hrh n SER 169 N -3.56 5.52 0.00 6.45 2.88 -0.54 -4.56 113.62 119.81 3hrh n SER 169 Ca -0.00 -3.13 0.00 0.00 -1.33 0.00 0.00 58.87 54.41 3hrh n SER 169 Cb 0.57 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 3hrh n SER 169 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hrh n GLY 170 N 2.33 0.68 2.53 0.46 0.00 -1.26 -4.39 105.19 105.54 3hrh n GLY 170 Ca 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 3hrh n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrh n GLY 171 N -2.06 -0.08 3.86 -0.02 0.00 -0.11 -4.80 105.19 101.98 3hrh n GLY 171 Ca 0.00 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 3hrh n GLY 171 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hrh s TYR 172 N -2.93 3.42 -0.28 1.61 1.51 -0.72 -3.49 117.35 116.48 3hrh s TYR 172 Ca 0.18 1.18 -0.05 0.00 -1.01 0.00 0.00 57.07 57.37 3hrh s TYR 172 Cb -0.08 -2.53 0.01 0.00 -0.11 0.00 0.00 41.96 39.26 3hrh s TYR 172 CO 0.23 -0.03 0.03 1.21 -1.11 0.00 0.00 175.55 175.88 3hrh s ASN 173 N -2.70 4.85 0.57 2.29 3.04 -1.26 -2.49 114.94 119.24 3hrh s ASN 173 Ca 0.54 -0.71 0.28 0.00 0.04 0.00 0.00 52.86 53.00 3hrh s ASN 173 Cb -0.10 -1.81 1.71 0.00 -1.54 0.00 0.00 41.25 39.51 3hrh s ASN 173 CO 0.24 -0.16 2.22 0.00 -3.04 0.00 0.00 177.10 176.36 3hrh h ALA 174 N 8.16 1.52 -0.10 1.71 0.00 -1.92 -1.57 119.26 127.06 3hrh h ALA 174 Ca -0.33 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 3hrh h ALA 174 Cb 1.13 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3hrh h ALA 174 CO 0.59 0.03 -0.39 -0.91 0.00 0.00 0.00 179.25 178.57 3hrh h ASN 175 N 0.00 0.22 1.28 0.00 2.35 -1.94 -1.27 115.58 116.22 3hrh h ASN 175 Ca -0.00 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 3hrh h ASN 175 Cb 0.06 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3hrh h ASN 175 CO 0.00 0.59 -0.15 0.28 -1.65 0.00 0.00 177.43 176.50 3hrh h SER 176 N 0.18 0.00 0.00 5.81 0.02 -1.62 -0.40 113.55 117.54 3hrh h SER 176 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3hrh h SER 176 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 3hrh h SER 176 CO 0.06 0.15 -0.09 -0.03 -1.14 0.00 0.00 176.83 175.78 3hrh h MET 177 N 0.00 0.00 0.00 3.45 1.85 -1.26 -1.88 114.93 117.09 3hrh h MET 177 Ca -0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3hrh h MET 177 Cb 0.84 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.87 3hrh h MET 177 CO 0.02 0.00 -0.01 0.91 -0.40 0.00 0.00 176.91 177.43 3hrh n TRP 178 N -3.62 0.00 -3.19 1.39 8.01 -0.55 -2.85 117.44 116.63 3hrh n TRP 178 Ca -0.01 -0.76 0.04 0.00 -1.31 0.00 0.00 57.50 55.46 3hrh n TRP 178 Cb 0.05 -0.10 -0.01 0.00 -2.01 0.00 0.00 31.31 29.23 3hrh n TRP 178 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3hrh n GLY 179 N -1.00 -1.70 3.65 6.99 0.00 -0.16 -4.49 105.19 108.48 3hrh n GLY 179 Ca 0.09 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 3hrh n GLY 179 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hrh s PRO 180 N -0.58 0.78 0.63 1.61 0.02 -1.26 -4.43 135.00 131.77 3hrh s PRO 180 Ca 0.00 1.28 0.27 0.00 0.02 0.00 0.00 61.00 62.57 3hrh s PRO 180 Cb 0.00 -1.72 1.44 0.00 0.02 0.00 0.00 34.50 34.24 3hrh s PRO 180 CO 0.00 -2.70 1.83 0.66 -0.33 0.00 0.00 177.00 176.46 3hrh h SER 181 N -1.91 0.00 1.25 2.53 4.64 -1.97 0.81 113.55 118.91 3hrh h SER 181 Ca -0.48 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.75 3hrh h SER 181 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 3hrh h SER 181 CO 0.46 0.00 -0.43 0.77 -0.87 0.00 0.00 176.83 176.76 3hrh h SER 182 N 0.00 0.00 -3.96 4.97 4.64 -1.93 -3.46 113.55 113.81 3hrh h SER 182 Ca 0.11 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.89 3hrh h SER 182 Cb 1.05 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.26 3hrh h SER 182 CO -0.00 0.43 0.70 -0.67 -0.87 0.00 0.00 176.83 176.42 3hrh n ASP 183 N -3.32 3.34 -0.00 4.97 -0.08 0.28 -4.90 116.55 116.83 3hrh n ASP 183 Ca 0.01 1.12 0.18 0.00 -1.51 0.00 0.00 54.79 54.60 3hrh n ASP 183 Cb 0.64 -1.60 0.65 0.00 2.34 0.00 0.00 41.12 43.14 3hrh n ASP 183 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3hrh h PRO 184 N 2.31 0.07 -0.90 -0.67 0.11 -1.88 -2.73 132.00 128.31 3hrh h PRO 184 Ca -0.51 -0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.79 3hrh h PRO 184 Cb 1.27 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.30 3hrh h PRO 184 CO 0.61 0.05 0.59 0.00 -0.21 0.00 0.00 178.00 179.04 3hrh h ALA 185 N 1.75 2.16 -0.62 -0.75 0.00 -1.91 -1.87 119.26 118.02 3hrh h ALA 185 Ca 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3hrh h ALA 185 Cb 0.88 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3hrh h ALA 185 CO -0.02 -0.45 0.34 -1.49 0.00 0.00 0.00 179.25 177.63 3hrh h TRP 186 N 0.43 0.86 0.03 0.00 4.06 -1.71 -1.50 115.95 118.12 3hrh h TRP 186 Ca 0.47 -0.02 -0.21 0.00 2.06 0.00 0.00 58.89 61.18 3hrh h TRP 186 Cb 1.12 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.99 3hrh h TRP 186 CO -0.00 0.62 -0.98 0.87 -3.56 0.00 0.00 178.44 175.39 3hrh h LYS 187 N 0.84 0.15 -0.38 0.49 1.57 -1.63 -2.92 116.57 114.70 3hrh h LYS 187 Ca 0.22 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3hrh h LYS 187 Cb 0.05 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3hrh h LYS 187 CO -0.03 1.01 0.16 -0.09 -0.57 0.00 0.00 179.45 179.92 3hrh h ARG 188 N 0.07 0.54 -0.49 3.15 1.12 -1.12 -2.17 114.38 115.47 3hrh h ARG 188 Ca -0.05 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.75 3hrh h ARG 188 Cb 1.66 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 31.52 3hrh h ARG 188 CO 0.15 0.44 0.00 0.09 -3.11 0.00 0.00 179.97 177.54 3hrh n ASN 189 N -4.39 5.20 -4.46 -3.80 3.02 -0.58 -4.90 115.26 105.34 3hrh n ASN 189 Ca 0.02 -2.95 -0.43 0.00 -0.03 0.00 0.00 54.58 51.20 3hrh n ASN 189 Cb 0.14 -0.64 -0.10 0.00 -0.61 0.00 0.00 39.78 38.57 3hrh n ASN 189 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hrh s ASP 190 N -1.12 6.12 0.24 6.41 -1.08 -0.82 -4.87 116.67 121.56 3hrh s ASP 190 Ca 0.51 -0.87 -0.05 0.00 -0.52 0.00 0.00 52.55 51.62 3hrh s ASP 190 Cb 0.39 -2.17 0.46 0.00 -1.46 0.00 0.00 42.92 40.14 3hrh s ASP 190 CO 0.14 -0.47 1.69 -0.65 0.52 0.00 0.00 175.17 176.40 3hrh h PRO 191 N 8.65 0.28 -0.11 4.34 0.11 -1.88 -0.38 132.00 143.01 3hrh h PRO 191 Ca -0.27 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.86 3hrh h PRO 191 Cb 1.12 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3hrh h PRO 191 CO 0.74 0.18 -0.09 1.98 -0.21 0.00 0.00 178.00 180.60 3hrh h MET 192 N 0.29 -0.10 -0.44 1.05 4.05 -1.48 -1.86 114.93 116.43 3hrh h MET 192 Ca 0.41 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.80 3hrh h MET 192 Cb 0.70 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.50 3hrh h MET 192 CO -0.50 -0.07 0.11 0.28 0.23 0.00 0.00 176.91 176.96 3hrh h VAL 193 N -0.11 1.19 -0.30 -5.77 2.07 -1.60 -2.85 116.25 108.88 3hrh h VAL 193 Ca 0.08 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3hrh h VAL 193 Cb 0.22 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3hrh h VAL 193 CO -0.18 0.25 0.00 0.00 0.02 0.00 0.00 177.57 177.66 3hrh n GLN 194 N -4.31 1.73 -0.30 1.57 1.13 -0.24 -4.41 117.38 112.54 3hrh n GLN 194 Ca 0.03 -1.12 0.12 0.00 -1.94 0.00 0.00 57.00 54.08 3hrh n GLN 194 Cb 0.20 -1.26 0.29 0.00 0.11 0.00 0.00 30.24 29.58 3hrh n GLN 194 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3hrh h ILE 195 N 1.87 0.54 -0.79 5.09 2.04 -1.11 -1.14 117.51 124.01 3hrh h ILE 195 Ca 0.00 -0.16 0.14 0.00 1.00 0.00 0.00 64.86 65.84 3hrh h ILE 195 Cb 0.42 0.04 -0.06 0.00 -0.74 0.00 0.00 36.82 36.49 3hrh h ILE 195 CO 0.00 0.08 0.52 -0.65 0.00 0.00 0.00 178.15 178.11 3hrh h PRO 196 N 0.46 0.49 -0.22 2.37 0.11 -1.86 0.07 132.00 133.43 3hrh h PRO 196 Ca 0.54 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.56 3hrh h PRO 196 Cb 0.96 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 3hrh h PRO 196 CO -0.48 0.32 -0.07 0.00 -0.21 0.00 0.00 178.00 177.56 3hrh h ARG 197 N 0.50 0.44 -1.00 1.05 3.08 -1.55 0.17 114.38 117.07 3hrh h ARG 197 Ca 0.39 -0.18 0.04 0.00 0.07 0.00 0.00 59.98 60.30 3hrh h ARG 197 Cb 0.79 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.76 3hrh h ARG 197 CO -0.14 0.69 0.66 -0.07 -1.07 0.00 0.00 179.97 180.04 3hrh h LEU 198 N 0.16 1.09 -0.07 3.04 3.38 -1.13 0.22 115.31 122.01 3hrh h LEU 198 Ca 0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3hrh h LEU 198 Cb 0.54 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3hrh h LEU 198 CO 0.03 0.73 -0.03 0.58 0.09 0.00 0.00 178.44 179.84 3hrh h VAL 199 N 1.25 1.32 -0.59 1.22 2.07 -0.82 -1.66 116.25 119.04 3hrh h VAL 199 Ca 0.40 -1.04 0.03 0.00 0.82 0.00 0.00 66.70 66.92 3hrh h VAL 199 Cb 0.03 1.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 3hrh h VAL 199 CO -0.13 0.29 0.35 0.00 0.02 0.00 0.00 177.57 178.09 3hrh h ALA 200 N 0.63 0.76 0.00 1.67 0.00 -0.09 0.01 119.26 122.24 3hrh h ALA 200 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hrh h ALA 200 Cb 0.47 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3hrh h ALA 200 CO 0.01 0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.42 3hrh n ASN 201 N -4.77 0.00 -2.88 0.00 3.02 0.74 -4.86 115.26 106.52 3hrh n ASN 201 Ca 0.05 0.49 -0.21 0.00 -0.03 0.00 0.00 54.58 54.88 3hrh n ASN 201 Cb 0.10 -0.50 0.01 0.00 -0.61 0.00 0.00 39.78 38.79 3hrh n ASN 201 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3hrh n ASN 202 N -1.50 -5.39 -4.66 6.41 5.15 -0.01 -4.88 115.26 110.38 3hrh n ASN 202 Ca 0.06 -0.19 -0.44 0.00 -0.60 0.00 0.00 54.58 53.41 3hrh n ASN 202 Cb 0.27 -4.42 -0.02 0.00 -0.53 0.00 0.00 39.78 35.08 3hrh n ASN 202 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 3hrh n THR 203 N -4.17 1.53 -2.84 -0.44 -1.04 -0.71 -4.91 114.28 101.70 3hrh n THR 203 Ca -0.13 -0.38 -0.42 0.00 -2.04 0.00 0.00 64.05 61.08 3hrh n THR 203 Cb 0.62 -1.41 -0.04 0.00 -1.82 0.00 0.00 70.33 67.68 3hrh n THR 203 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3hrh s ARG 204 N -1.17 3.87 0.10 -2.82 3.00 -0.50 -4.68 118.95 116.76 3hrh s ARG 204 Ca 0.62 0.58 0.10 0.00 -1.00 0.00 0.00 55.73 56.03 3hrh s ARG 204 Cb -0.64 -3.78 -0.04 0.00 0.00 0.00 0.00 34.95 30.50 3hrh s ARG 204 CO 0.56 -0.87 -0.24 0.96 0.00 0.00 0.00 175.30 175.72 3hrh s ILE 205 N 3.32 2.43 -0.29 4.11 -4.36 -0.75 -1.26 121.20 124.41 3hrh s ILE 205 Ca 0.36 -1.57 0.01 0.00 -0.26 0.00 0.00 60.65 59.20 3hrh s ILE 205 Cb -0.13 -2.06 0.09 0.00 1.25 0.00 0.00 42.46 41.61 3hrh s ILE 205 CO 0.17 0.17 0.03 0.86 0.24 0.00 0.00 174.94 176.41 3hrh s TRP 206 N -1.02 2.55 -0.23 1.37 -0.11 -0.29 0.20 118.94 121.41 3hrh s TRP 206 Ca 0.15 -2.11 -0.04 0.00 1.22 0.00 0.00 56.10 55.31 3hrh s TRP 206 Cb -0.10 -2.02 -0.01 0.00 -1.50 0.00 0.00 33.47 29.84 3hrh s TRP 206 CO 0.06 -0.86 -0.02 0.08 -4.62 0.00 0.00 176.95 171.59 3hrh s VAL 207 N 1.33 3.52 0.12 5.86 1.01 -0.14 -0.61 120.40 131.49 3hrh s VAL 207 Ca 0.05 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 61.64 3hrh s VAL 207 Cb -0.18 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 3hrh s VAL 207 CO -0.13 0.39 -0.20 -0.47 0.00 0.00 0.00 175.10 174.69 3hrh s TYR 208 N 1.50 1.81 -0.28 5.22 6.14 -0.53 -1.27 117.35 129.93 3hrh s TYR 208 Ca 0.06 -0.43 -0.21 0.00 0.64 0.00 0.00 57.07 57.13 3hrh s TYR 208 Cb -0.15 -0.96 0.12 0.00 0.42 0.00 0.00 41.96 41.39 3hrh s TYR 208 CO -0.02 0.25 0.93 0.00 0.64 0.00 0.00 175.55 177.34 3hrh s GLY 210 N 0.85 1.79 0.00 0.00 0.00 -1.26 -4.02 107.32 104.67 3hrh s GLY 210 Ca -0.03 -1.57 0.15 0.00 0.00 0.00 0.00 44.72 43.26 3hrh s GLY 210 CO -0.11 -0.84 0.97 1.16 0.00 0.00 0.00 173.10 174.28 3hrh n ASN 211 N -3.40 2.23 0.00 1.64 6.94 -1.03 -4.58 115.26 117.07 3hrh n ASN 211 Ca 0.17 -1.62 0.00 0.00 -0.02 0.00 0.00 54.58 53.11 3hrh n ASN 211 Cb 0.60 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 3hrh n ASN 211 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hrh n GLY 212 N 0.83 0.34 3.56 4.83 0.00 0.08 -4.33 105.19 110.51 3hrh n GLY 212 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3hrh n GLY 212 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hrh s THR 213 N -2.00 5.07 0.55 2.61 2.01 -1.20 -4.63 115.64 118.04 3hrh s THR 213 Ca 0.00 0.35 -0.19 0.00 0.31 0.00 0.00 61.69 62.16 3hrh s THR 213 Cb 0.00 -3.89 -0.06 0.00 0.01 0.00 0.00 72.50 68.56 3hrh s THR 213 CO 0.00 -0.12 1.10 -2.16 -0.69 0.00 0.00 174.62 172.74 3hrh s PRO 214 N 2.27 3.40 0.00 4.92 0.04 -1.26 0.76 135.00 145.13 3hrh s PRO 214 Ca 0.17 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.69 3hrh s PRO 214 Cb -0.16 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3hrh s PRO 214 CO 0.12 -0.78 0.00 -1.13 0.04 0.00 0.00 177.00 175.25 3hrh n SER 215 N -1.41 1.86 0.34 6.66 3.41 -1.26 -4.81 113.62 118.40 3hrh n SER 215 Ca 0.11 -0.42 0.21 0.00 -0.26 0.00 0.00 58.87 58.51 3hrh n SER 215 Cb 0.52 0.00 1.15 0.00 -0.26 0.00 0.00 64.21 65.61 3hrh n SER 215 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hrh h ASP 216 N 0.00 0.00 0.64 4.04 5.19 -2.05 -0.95 116.42 123.28 3hrh h ASP 216 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hrh h ASP 216 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3hrh h ASP 216 CO 0.00 0.00 0.00 -0.07 -3.12 0.00 0.00 179.24 176.05 3hrh h LEU 217 N 0.00 0.00 0.00 1.55 3.38 -1.99 -3.48 115.31 114.77 3hrh h LEU 217 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hrh h LEU 217 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3hrh h LEU 217 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3hrh n GLY 218 N -0.35 0.53 2.50 0.83 0.00 -0.36 -4.83 105.19 103.51 3hrh n GLY 218 Ca -0.00 -1.50 -0.14 0.00 0.00 0.00 0.00 46.02 44.37 3hrh n GLY 218 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrh n GLY 219 N 0.00 -0.13 3.44 -0.02 0.00 -1.26 -4.30 105.19 102.92 3hrh n GLY 219 Ca 0.00 -0.21 -0.44 0.00 0.00 0.00 0.00 46.02 45.36 3hrh n GLY 219 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hrh s ASP 220 N -2.71 7.07 -0.04 1.61 2.15 -1.26 -4.61 116.67 118.88 3hrh s ASP 220 Ca 0.15 -3.01 -0.07 0.00 0.43 0.00 0.00 52.55 50.05 3hrh s ASP 220 Cb -0.07 -2.37 0.01 0.00 -0.30 0.00 0.00 42.92 40.19 3hrh s ASP 220 CO 0.19 -0.70 0.17 0.54 -0.17 0.00 0.00 175.17 175.19 3hrh s ASN 221 N 2.67 -0.10 0.24 -0.34 2.20 -1.26 -5.08 114.94 113.27 3hrh s ASN 221 Ca 0.40 0.12 -0.08 0.00 -0.94 0.00 0.00 52.86 52.36 3hrh s ASN 221 Cb -0.04 0.30 0.41 0.00 -2.00 0.00 0.00 41.25 39.92 3hrh s ASN 221 CO -0.02 -0.20 1.64 0.40 -2.94 0.00 0.00 177.10 175.98 3hrh h ILE 222 N 4.58 0.36 -0.29 0.54 2.04 -1.99 -1.61 117.51 121.13 3hrh h ILE 222 Ca -0.28 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3hrh h ILE 222 Cb 1.20 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3hrh h ILE 222 CO 0.40 0.02 0.19 -0.65 0.00 0.00 0.00 178.15 178.11 3hrh h PRO 223 N 0.10 0.39 -0.95 2.37 0.11 -1.98 0.72 132.00 132.76 3hrh h PRO 223 Ca 0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.48 3hrh h PRO 223 Cb 0.69 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.66 3hrh h PRO 223 CO -0.65 0.26 0.60 0.00 -0.21 0.00 0.00 178.00 178.00 3hrh h ALA 224 N 1.11 1.27 -0.16 -0.75 0.00 -1.70 -0.85 119.26 118.19 3hrh h ALA 224 Ca 0.11 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3hrh h ALA 224 Cb -0.04 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.36 3hrh h ALA 224 CO -0.02 0.65 -0.28 0.87 0.00 0.00 0.00 179.25 180.47 3hrh h LYS 225 N 1.30 0.47 0.15 0.00 1.57 -1.05 0.49 116.57 119.51 3hrh h LYS 225 Ca 0.34 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3hrh h LYS 225 Cb -0.10 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3hrh h LYS 225 CO -0.07 0.89 -0.07 0.35 -0.57 0.00 0.00 179.45 179.98 3hrh h PHE 226 N 0.09 -0.19 -0.90 -1.35 3.57 -0.62 -2.51 116.94 115.02 3hrh h PHE 226 Ca 0.01 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 3hrh h PHE 226 Cb 0.86 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.61 3hrh h PHE 226 CO 0.10 -0.11 0.58 1.25 -2.23 0.00 0.00 178.31 177.89 3hrh h LEU 227 N -0.22 0.94 -0.56 0.59 5.85 -1.25 -1.10 115.31 119.57 3hrh h LEU 227 Ca -0.02 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 3hrh h LEU 227 Cb 0.17 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3hrh h LEU 227 CO 0.03 0.62 -0.08 -0.08 -0.34 0.00 0.00 178.44 178.59 3hrh h GLU 228 N 1.09 1.04 -0.06 1.25 4.57 -1.44 -2.36 114.58 118.67 3hrh h GLU 228 Ca 0.38 -0.37 -0.12 0.00 -1.18 0.00 0.00 59.36 58.07 3hrh h GLU 228 Cb 0.09 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3hrh h GLU 228 CO -0.15 1.07 -0.49 0.78 -1.18 0.00 0.00 179.01 179.04 3hrh h GLY 229 N 0.92 0.17 0.76 1.92 0.00 -0.99 -1.68 103.07 104.18 3hrh h GLY 229 Ca 0.15 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 3hrh h GLY 229 CO 0.04 0.16 -0.22 -2.00 0.00 0.00 0.00 176.54 174.53 3hrh h LEU 230 N 0.12 0.44 0.00 3.11 5.85 -1.06 -3.24 115.31 120.53 3hrh h LEU 230 Ca 0.00 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.20 3hrh h LEU 230 Cb 0.91 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.82 3hrh h LEU 230 CO 0.07 0.88 -0.11 0.00 -0.34 0.00 0.00 178.44 178.94 3hrh h THR 231 N 0.01 0.00 -0.53 1.05 1.03 -1.42 -3.25 112.91 109.81 3hrh h THR 231 Ca 0.01 -0.52 0.02 0.00 -0.01 0.00 0.00 66.41 65.92 3hrh h THR 231 Cb 0.79 1.44 -0.03 0.00 -1.07 0.00 0.00 68.15 69.28 3hrh h THR 231 CO 0.05 0.00 0.35 0.25 -0.01 0.00 0.00 175.52 176.16 3hrh h LEU 232 N 0.00 0.56 -0.58 0.00 5.85 -1.33 -1.48 115.31 118.33 3hrh h LEU 232 Ca 0.00 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3hrh h LEU 232 Cb 0.76 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 3hrh h LEU 232 CO 0.00 0.39 0.36 0.03 -0.34 0.00 0.00 178.44 178.89 3hrh h ARG 233 N 0.65 0.70 -0.34 1.25 3.08 -1.69 0.37 114.38 118.41 3hrh h ARG 233 Ca 0.20 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.08 3hrh h ARG 233 Cb 0.01 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3hrh h ARG 233 CO -0.05 0.46 -0.32 1.15 -1.07 0.00 0.00 179.97 180.14 3hrh h THR 234 N 0.72 1.28 -0.40 2.04 2.02 -1.50 -2.38 112.91 114.70 3hrh h THR 234 Ca 0.22 -1.47 -0.09 0.00 0.77 0.00 0.00 66.41 65.84 3hrh h THR 234 Cb -0.02 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 3hrh h THR 234 CO -0.08 0.48 -0.13 0.78 0.37 0.00 0.00 175.52 176.94 3hrh h ASN 235 N 0.62 0.70 -0.48 4.18 2.35 -0.78 -0.66 115.58 121.52 3hrh h ASN 235 Ca 0.07 -0.21 -0.09 0.00 -0.55 0.00 0.00 56.30 55.52 3hrh h ASN 235 Cb 0.85 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.02 3hrh h ASN 235 CO 0.07 0.85 -0.04 1.56 -1.65 0.00 0.00 177.43 178.23 3hrh h GLN 236 N 0.64 0.87 -0.50 0.81 4.20 -0.78 -1.84 115.11 118.52 3hrh h GLN 236 Ca 0.11 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.49 3hrh h GLN 236 Cb 0.59 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 3hrh h GLN 236 CO 0.04 0.93 0.18 1.15 -0.67 0.00 0.00 178.83 180.46 3hrh h THR 237 N 0.72 1.22 -0.34 -0.54 2.02 -1.17 -1.98 112.91 112.83 3hrh h THR 237 Ca 0.13 -0.71 0.05 0.00 0.77 0.00 0.00 66.41 66.65 3hrh h THR 237 Cb 0.56 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.67 3hrh h THR 237 CO 0.03 0.26 0.06 0.15 0.37 0.00 0.00 175.52 176.40 3hrh h PHE 238 N 0.67 0.10 -0.22 3.16 3.57 -0.93 0.15 116.94 123.44 3hrh h PHE 238 Ca 0.16 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.71 3hrh h PHE 238 Cb 0.23 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 3hrh h PHE 238 CO 0.01 0.01 0.04 -0.09 -2.23 0.00 0.00 178.31 176.05 3hrh h ARG 239 N 0.18 0.12 -0.30 1.11 1.12 -1.09 0.33 114.38 115.85 3hrh h ARG 239 Ca 0.16 -0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 59.01 3hrh h ARG 239 Cb 0.18 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.10 3hrh h ARG 239 CO -0.21 0.08 0.14 -0.44 -3.11 0.00 0.00 179.97 176.42 3hrh h ASP 240 N 0.12 0.39 -0.60 -3.80 3.45 -0.90 -1.24 116.42 113.84 3hrh h ASP 240 Ca 0.10 -0.13 -0.03 0.00 0.43 0.00 0.00 57.03 57.41 3hrh h ASP 240 Cb 0.10 -0.10 -0.03 0.00 -0.56 0.00 0.00 39.33 38.74 3hrh h ASP 240 CO -0.14 0.41 0.28 0.74 -1.57 0.00 0.00 179.24 178.96 3hrh h THR 241 N 0.35 1.22 -0.32 0.35 2.02 -0.43 -0.57 112.91 115.52 3hrh h THR 241 Ca 0.10 -0.63 0.04 0.00 0.77 0.00 0.00 66.41 66.70 3hrh h THR 241 Cb 0.12 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 3hrh h THR 241 CO -0.01 0.25 0.08 0.22 0.37 0.00 0.00 175.52 176.43 3hrh h TYR 242 N 0.83 0.15 -0.35 3.16 3.20 -0.07 -1.48 116.97 122.40 3hrh h TYR 242 Ca 0.21 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.03 3hrh h TYR 242 Cb 0.14 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3hrh h TYR 242 CO 0.00 0.05 -0.04 0.00 -1.64 0.00 0.00 178.16 176.53 3hrh h ALA 243 N 1.22 0.48 0.00 1.82 0.00 -1.03 0.10 119.26 121.85 3hrh h ALA 243 Ca 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hrh h ALA 243 Cb 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hrh h ALA 243 CO -0.18 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3hrh h ALA 244 N 0.84 1.00 -0.62 0.00 0.00 -0.78 -0.85 119.26 118.84 3hrh h ALA 244 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hrh h ALA 244 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3hrh h ALA 244 CO 0.03 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.03 3hrh n ASP 245 N -3.05 3.40 0.00 0.00 10.43 -0.59 -4.92 116.55 121.82 3hrh n ASP 245 Ca -0.02 -1.99 0.00 0.00 2.57 0.00 0.00 54.79 55.34 3hrh n ASP 245 Cb 0.11 -0.41 0.00 0.00 1.84 0.00 0.00 41.12 42.66 3hrh n ASP 245 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hrh n GLY 246 N 1.51 0.78 3.70 0.44 0.00 -0.33 -4.99 105.19 106.30 3hrh n GLY 246 Ca 0.21 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3hrh n GLY 246 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hrh s GLY 247 N -2.13 2.12 0.00 -0.02 0.00 -0.00 -4.87 107.32 102.42 3hrh s GLY 247 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.55 3hrh s GLY 247 CO 0.00 2.26 0.42 0.54 0.00 0.00 0.00 173.10 176.31 3hrh n ARG 248 N 4.68 0.33 -1.24 2.90 1.74 -1.26 -4.42 116.66 119.39 3hrh n ARG 248 Ca 0.11 -0.49 -0.14 0.00 -0.77 0.00 0.00 57.85 56.55 3hrh n ARG 248 Cb 0.45 -0.63 0.13 0.00 -1.02 0.00 0.00 32.46 31.39 3hrh n ARG 248 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3hrh n ASN 249 N -0.07 3.92 -4.19 0.55 5.15 -1.26 -5.01 115.26 114.34 3hrh n ASN 249 Ca 0.00 -3.79 -0.25 0.00 -0.60 0.00 0.00 54.58 49.94 3hrh n ASN 249 Cb 0.33 -0.60 -0.15 0.00 -0.53 0.00 0.00 39.78 38.83 3hrh n ASN 249 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3hrh s GLY 250 N -2.76 0.92 -0.14 8.20 0.00 -1.26 -1.80 107.32 110.48 3hrh s GLY 250 Ca 0.49 -0.84 -0.10 0.00 0.00 0.00 0.00 44.72 44.28 3hrh s GLY 250 CO 0.01 -0.73 0.18 0.14 0.00 0.00 0.00 173.10 172.69 3hrh s VAL 251 N -0.54 5.41 -0.24 1.40 1.01 0.13 -4.96 120.40 122.60 3hrh s VAL 251 Ca 0.07 0.31 -0.00 0.00 0.00 0.00 0.00 61.98 62.35 3hrh s VAL 251 Cb -0.07 -3.48 0.07 0.00 0.00 0.00 0.00 36.38 32.89 3hrh s VAL 251 CO 0.00 0.52 0.00 -0.36 0.00 0.00 0.00 175.10 175.26 3hrh s PHE 252 N -0.34 1.94 -0.46 5.22 0.08 -1.26 -0.97 117.98 122.20 3hrh s PHE 252 Ca 0.14 -1.54 -0.09 0.00 0.12 0.00 0.00 56.93 55.56 3hrh s PHE 252 Cb -0.12 -1.50 0.11 0.00 -0.57 0.00 0.00 43.02 40.94 3hrh s PHE 252 CO 0.03 -0.75 0.32 -0.80 -0.10 0.00 0.00 175.22 173.92 3hrh s ASN 253 N 1.55 5.66 -0.69 1.36 0.01 -0.40 -4.96 114.94 117.47 3hrh s ASN 253 Ca -0.01 -1.85 0.05 0.00 -0.71 0.00 0.00 52.86 50.34 3hrh s ASN 253 Cb -0.18 -2.00 0.24 0.00 0.41 0.00 0.00 41.25 39.73 3hrh s ASN 253 CO -0.10 -0.66 0.77 0.49 -1.51 0.00 0.00 177.10 176.10 3hrh n PHE 254 N 4.89 3.53 -1.36 2.20 0.99 -1.26 -2.10 117.46 124.35 3hrh n PHE 254 Ca -0.08 -4.06 -0.31 0.00 -0.00 0.00 0.00 57.45 53.00 3hrh n PHE 254 Cb 0.41 -0.64 0.09 0.00 -1.00 0.00 0.00 39.48 38.35 3hrh n PHE 254 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 3hrh s PRO 255 N -2.35 2.18 0.00 -1.08 0.04 -1.26 -4.91 135.00 127.63 3hrh s PRO 255 Ca 0.37 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.39 3hrh s PRO 255 Cb 0.11 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.75 3hrh s PRO 255 CO -0.03 -1.64 1.81 -0.35 0.04 0.00 0.00 177.00 176.83 3hrh n PRO 256 N -3.50 0.97 -3.84 0.56 -0.04 -1.26 -3.98 135.00 123.91 3hrh n PRO 256 Ca 0.08 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.48 3hrh n PRO 256 Cb 0.54 -1.01 0.02 0.00 -0.04 0.00 0.00 33.50 33.01 3hrh n PRO 256 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hrh s ASN 257 N 1.86 -0.00 0.00 3.54 4.22 -1.26 -4.82 114.94 118.47 3hrh s ASN 257 Ca 0.00 -0.90 0.00 0.00 -2.14 0.00 0.00 52.86 49.82 3hrh s ASN 257 Cb 0.00 0.68 0.00 0.00 1.28 0.00 0.00 41.25 43.21 3hrh s ASN 257 CO 0.00 -1.35 0.00 0.61 -2.04 0.00 0.00 177.10 174.32 3hrh n GLY 258 N -0.61 2.51 3.49 0.45 0.00 0.23 -2.46 105.19 108.81 3hrh n GLY 258 Ca -0.06 -1.54 -0.24 0.00 0.00 0.00 0.00 46.02 44.19 3hrh n GLY 258 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hrh s THR 259 N -0.89 1.00 -1.30 2.61 -4.23 -1.26 -0.74 115.64 110.82 3hrh s THR 259 Ca 0.00 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 3hrh s THR 259 Cb 0.00 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.19 3hrh s THR 259 CO 0.00 0.00 2.31 1.57 -0.54 0.00 0.00 174.62 177.96 3hrh n HIS 260 N -0.80 2.76 -3.89 3.99 -0.00 0.15 -4.81 115.22 112.63 3hrh n HIS 260 Ca -0.05 -2.67 -0.09 0.00 0.46 0.00 0.00 57.72 55.37 3hrh n HIS 260 Cb 0.66 -2.29 -0.08 0.00 -0.12 0.00 0.00 29.99 28.16 3hrh n HIS 260 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 3hrh s SER 261 N 3.37 0.13 0.33 0.26 1.04 -1.26 -4.77 113.70 112.80 3hrh s SER 261 Ca 0.53 -0.56 0.10 0.00 0.48 0.00 0.00 55.95 56.50 3hrh s SER 261 Cb 0.15 0.29 0.86 0.00 0.10 0.00 0.00 66.02 67.42 3hrh s SER 261 CO -0.04 -0.62 1.78 -0.50 0.98 0.00 0.00 173.24 174.84 3hrh h TRP 262 N 3.20 0.94 -0.94 5.02 4.06 -1.96 -2.65 115.95 123.63 3hrh h TRP 262 Ca -0.33 0.03 0.10 0.00 2.06 0.00 0.00 58.89 60.75 3hrh h TRP 262 Cb 1.19 -0.28 -0.08 0.00 -1.00 0.00 0.00 29.16 28.99 3hrh h TRP 262 CO 0.48 0.17 0.57 -1.35 -3.56 0.00 0.00 178.44 174.75 3hrh h PRO 263 N 0.64 0.91 -0.09 0.49 0.11 -1.89 -0.28 132.00 131.88 3hrh h PRO 263 Ca 0.58 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 66.47 3hrh h PRO 263 Cb 1.08 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 3hrh h PRO 263 CO -0.36 0.60 -0.65 1.88 -0.21 0.00 0.00 178.00 179.27 3hrh h TYR 264 N 0.94 0.47 -0.08 0.65 -1.99 -1.78 -2.11 116.97 113.06 3hrh h TYR 264 Ca 0.45 -0.19 -0.15 0.00 2.00 0.00 0.00 58.73 60.84 3hrh h TYR 264 Cb 0.40 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.04 3hrh h TYR 264 CO -0.03 0.90 -0.61 -1.49 -0.00 0.00 0.00 178.16 176.94 3hrh h TRP 265 N 0.26 0.37 -0.27 4.88 6.55 -1.36 -2.31 115.95 124.07 3hrh h TRP 265 Ca -0.01 -0.14 -0.10 0.00 0.95 0.00 0.00 58.89 59.58 3hrh h TRP 265 Cb 1.19 -0.07 -0.01 0.00 -0.86 0.00 0.00 29.16 29.41 3hrh h TRP 265 CO 0.03 0.82 -0.22 -0.97 -1.05 0.00 0.00 178.44 177.05 3hrh h ASN 266 N 0.22 0.66 -1.00 -3.49 -0.73 -1.00 -0.97 115.58 109.27 3hrh h ASN 266 Ca -0.01 -0.45 0.08 0.00 1.87 0.00 0.00 56.30 57.79 3hrh h ASN 266 Cb 1.12 -0.19 -0.07 0.00 0.27 0.00 0.00 38.32 39.45 3hrh h ASN 266 CO 0.10 0.98 0.64 -0.08 -0.37 0.00 0.00 177.43 178.69 3hrh h GLU 267 N 0.35 1.07 -0.15 6.67 4.22 -1.31 0.22 114.58 125.65 3hrh h GLU 267 Ca 0.05 -0.06 -0.12 0.00 0.08 0.00 0.00 59.36 59.31 3hrh h GLU 267 Cb 0.77 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3hrh h GLU 267 CO 0.06 0.71 -0.41 1.96 -2.18 0.00 0.00 179.01 179.15 3hrh h GLN 268 N 1.11 0.35 -0.10 1.92 1.08 -1.13 -1.98 115.11 116.36 3hrh h GLN 268 Ca 0.45 -0.17 -0.09 0.00 -1.45 0.00 0.00 58.65 57.40 3hrh h GLN 268 Cb 0.28 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 3hrh h GLN 268 CO -0.21 0.70 -0.33 1.25 -0.95 0.00 0.00 178.83 179.29 3hrh h LEU 269 N 0.29 0.20 -0.04 1.46 5.85 0.38 -2.20 115.31 121.27 3hrh h LEU 269 Ca 0.03 -0.07 -0.26 0.00 0.84 0.00 0.00 57.88 58.42 3hrh h LEU 269 Cb 0.84 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.83 3hrh h LEU 269 CO 0.07 0.53 -1.06 0.58 -0.34 0.00 0.00 178.44 178.22 3hrh h VAL 270 N 0.18 1.34 -0.53 1.05 2.07 -0.97 -3.21 116.25 116.19 3hrh h VAL 270 Ca 0.02 -2.43 -0.08 0.00 0.82 0.00 0.00 66.70 65.03 3hrh h VAL 270 Cb 0.68 2.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.93 3hrh h VAL 270 CO 0.05 0.74 0.01 0.00 0.02 0.00 0.00 177.57 178.38 3hrh h ALA 271 N 0.53 1.02 0.00 1.67 0.00 -1.10 -3.06 119.26 118.31 3hrh h ALA 271 Ca -0.12 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3hrh h ALA 271 Cb 1.72 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3hrh h ALA 271 CO 0.20 0.61 -0.05 0.00 0.00 0.00 0.00 179.25 180.01 3hrh n MET 272 N -4.20 0.02 -0.04 0.00 0.00 -0.85 -4.25 117.12 107.80 3hrh n MET 272 Ca 0.03 0.01 -0.09 0.00 0.00 0.00 0.00 57.70 57.65 3hrh n MET 272 Cb 0.31 -1.52 -0.03 0.00 0.00 0.00 0.00 33.22 31.98 3hrh n MET 272 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 3hrh h LYS 273 N 0.00 -0.31 -0.77 3.17 3.64 -1.53 0.18 116.57 120.95 3hrh h LYS 273 Ca 0.00 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 3hrh h LYS 273 Cb 0.52 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.35 3hrh h LYS 273 CO 0.00 -0.21 0.45 0.00 -2.27 0.00 0.00 179.45 177.42 3hrh h ALA 274 N 0.60 1.05 -0.52 5.00 0.00 -1.80 0.13 119.26 123.72 3hrh h ALA 274 Ca 0.13 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3hrh h ALA 274 Cb 0.52 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3hrh h ALA 274 CO -0.41 0.15 0.18 0.22 0.00 0.00 0.00 179.25 179.39 3hrh h ASP 275 N 0.82 0.71 -0.18 0.00 3.58 -1.49 -1.50 116.42 118.35 3hrh h ASP 275 Ca 0.34 -0.10 -0.22 0.00 0.42 0.00 0.00 57.03 57.48 3hrh h ASP 275 Cb 0.20 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 41.08 3hrh h ASP 275 CO -0.19 0.66 -0.74 0.40 -2.88 0.00 0.00 179.24 176.50 3hrh h ILE 276 N 0.76 1.27 -0.40 2.25 2.04 0.50 -1.95 117.51 121.99 3hrh h ILE 276 Ca 0.18 -1.93 -0.02 0.00 1.00 0.00 0.00 64.86 64.09 3hrh h ILE 276 Cb 0.20 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 3hrh h ILE 276 CO -0.01 0.62 0.17 1.56 0.00 0.00 0.00 178.15 180.49 3hrh h GLN 277 N 0.57 0.58 -0.74 2.37 4.20 -0.78 0.18 115.11 121.50 3hrh h GLN 277 Ca -0.04 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 3hrh h GLN 277 Cb 1.37 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 29.02 3hrh h GLN 277 CO 0.15 0.53 0.21 1.25 -0.67 0.00 0.00 178.83 180.31 3hrh h HIS 278 N 0.50 1.21 0.07 2.96 2.76 -1.30 0.21 115.15 121.56 3hrh h HIS 278 Ca 0.13 -0.13 -0.26 0.00 -2.20 0.00 0.00 60.37 57.92 3hrh h HIS 278 Cb 0.16 -0.35 0.02 0.00 1.55 0.00 0.00 27.41 28.79 3hrh h HIS 278 CO -0.01 0.96 -1.04 0.28 -1.30 0.00 0.00 177.93 176.82 3hrh h VAL 279 N 1.11 1.33 0.03 5.26 2.07 -1.11 -0.90 116.25 124.03 3hrh h VAL 279 Ca 0.24 -2.34 -0.29 0.00 0.82 0.00 0.00 66.70 65.12 3hrh h VAL 279 Cb 0.34 2.64 -0.04 0.00 -1.52 0.00 0.00 31.29 32.71 3hrh h VAL 279 CO -0.00 0.71 -1.65 -0.07 0.02 0.00 0.00 177.57 176.57 3hrh h LEU 280 N 0.18 0.11 0.00 2.57 3.38 -0.67 -3.39 115.31 117.49 3hrh h LEU 280 Ca -0.15 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 3hrh h LEU 280 Cb 1.73 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 3hrh h LEU 280 CO 0.20 1.18 -1.67 0.59 0.09 0.00 0.00 178.44 178.83 3hrh n ASN 281 N -3.19 1.87 0.00 -0.43 5.03 0.65 -4.99 115.26 114.19 3hrh n ASN 281 Ca -0.17 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.28 3hrh n ASN 281 Cb 1.04 1.49 0.00 0.00 -1.02 0.00 0.00 39.78 41.29 3hrh n ASN 281 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04