#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h7t s ILE 2 N 0.00 5.26 0.00 1.39 1.01 0.10 -4.16 121.20 124.80 3h7t s ILE 2 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 60.65 61.18 3h7t s ILE 2 Cb 0.00 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.82 3h7t s ILE 2 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.85 3h7t n GLY 3 N 3.93 0.42 0.00 6.18 0.00 -1.24 0.49 105.19 114.97 3h7t n GLY 3 Ca -0.11 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3h7t n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h7t n GLY 4 N -2.70 1.54 3.19 -0.02 0.00 -1.26 -4.62 105.19 101.33 3h7t n GLY 4 Ca 0.00 -1.97 -0.15 0.00 0.00 0.00 0.00 46.02 43.89 3h7t n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h7t s LYS 5 N 2.62 0.90 0.28 1.61 -2.85 0.69 -4.94 119.74 118.06 3h7t s LYS 5 Ca 0.00 -1.18 -0.30 0.00 -1.00 0.00 0.00 55.97 53.49 3h7t s LYS 5 Cb 0.00 -0.64 -0.11 0.00 -2.06 0.00 0.00 37.83 35.02 3h7t s LYS 5 CO 0.00 0.11 1.54 0.21 0.10 0.00 0.00 175.35 177.31 3h7t s LYS 6 N -2.77 4.17 0.16 1.78 2.20 -1.26 -0.59 119.74 123.44 3h7t s LYS 6 Ca 0.06 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.16 3h7t s LYS 6 Cb -0.03 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 3h7t s LYS 6 CO 0.01 -0.56 0.02 0.45 -0.36 0.00 0.00 175.35 174.91 3h7t n SER 7 N 2.22 2.31 -3.98 1.43 2.88 0.63 -4.79 113.62 114.31 3h7t n SER 7 Ca 0.08 -1.67 -0.13 0.00 -1.33 0.00 0.00 58.87 55.82 3h7t n SER 7 Cb 0.38 0.09 -0.13 0.00 -0.75 0.00 0.00 64.21 63.81 3h7t n SER 7 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3h7t s ASP 8 N -1.88 0.48 0.57 -3.46 -1.08 -1.26 -4.65 116.67 105.39 3h7t s ASP 8 Ca 0.01 -0.30 0.28 0.00 -0.52 0.00 0.00 52.55 52.02 3h7t s ASP 8 Cb -0.00 0.01 1.70 0.00 -1.46 0.00 0.00 42.92 43.18 3h7t s ASP 8 CO 0.01 -0.11 2.21 -0.29 0.52 0.00 0.00 175.17 177.51 3h7t h ILE 9 N 4.81 0.58 -0.08 4.11 6.09 -1.87 0.75 117.51 131.89 3h7t h ILE 9 Ca -0.30 -0.12 -0.04 0.00 -1.37 0.00 0.00 64.86 63.03 3h7t h ILE 9 Cb 1.20 1.08 -0.01 0.00 0.47 0.00 0.00 36.82 39.56 3h7t h ILE 9 CO 0.45 0.03 -0.12 0.74 -3.07 0.00 0.00 178.15 176.19 3h7t h THR 10 N 0.00 1.13 0.00 2.19 2.02 -1.87 0.17 112.91 116.55 3h7t h THR 10 Ca -0.00 -0.59 -0.18 0.00 0.77 0.00 0.00 66.41 66.41 3h7t h THR 10 Cb 0.07 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 3h7t h THR 10 CO 0.00 0.18 -0.87 0.11 0.37 0.00 0.00 175.52 175.31 3h7t h LYS 11 N 0.12 0.00 -2.11 6.66 1.57 -1.17 -3.37 116.57 118.27 3h7t h LYS 11 Ca 0.03 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.23 3h7t h LYS 11 Cb 0.28 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.19 3h7t h LYS 11 CO 0.02 0.87 -0.94 0.39 -0.57 0.00 0.00 179.45 179.22 3h7t n GLU 12 N -3.44 1.23 0.00 3.15 4.71 -1.05 -4.98 120.64 120.26 3h7t n GLU 12 Ca -0.00 -3.67 0.05 0.00 -0.01 0.00 0.00 57.16 53.52 3h7t n GLU 12 Cb 0.85 -1.57 0.21 0.00 -1.01 0.00 0.00 31.44 29.92 3h7t n GLU 12 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 3h7t n PRO 13 N 1.35 0.01 0.02 3.49 -0.04 0.02 -1.68 135.00 138.17 3h7t n PRO 13 Ca 0.24 0.33 0.13 0.00 -0.04 0.00 0.00 63.50 64.16 3h7t n PRO 13 Cb 0.49 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.93 3h7t n PRO 13 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3h7t n TRP 14 N -1.49 0.16 -2.69 0.54 2.14 -1.22 -1.96 117.44 112.92 3h7t n TRP 14 Ca 0.02 0.05 -0.41 0.00 2.07 0.00 0.00 57.50 59.23 3h7t n TRP 14 Cb 0.11 -0.52 -0.04 0.00 -0.81 0.00 0.00 31.31 30.05 3h7t n TRP 14 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3h7t s ALA 15 N -3.02 3.27 0.09 -1.67 0.00 -0.67 -0.80 121.76 118.95 3h7t s ALA 15 Ca 0.12 0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.72 3h7t s ALA 15 Cb 0.17 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 3h7t s ALA 15 CO 0.59 -0.06 -0.06 0.14 0.00 0.00 0.00 175.76 176.36 3h7t s VAL 16 N -0.03 0.63 -0.05 0.00 -7.23 -0.46 -4.56 120.40 108.70 3h7t s VAL 16 Ca 0.48 -1.80 -0.12 0.00 -1.81 0.00 0.00 61.98 58.72 3h7t s VAL 16 Cb -0.25 -1.51 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 3h7t s VAL 16 CO 0.31 -0.81 0.32 -0.83 -0.31 0.00 0.00 175.10 173.78 3h7t s GLY 17 N -2.82 2.37 -0.40 2.32 0.00 0.16 -1.31 107.32 107.63 3h7t s GLY 17 Ca 0.08 -0.36 -0.05 0.00 0.00 0.00 0.00 44.72 44.40 3h7t s GLY 17 CO -0.04 0.03 0.21 0.14 0.00 0.00 0.00 173.10 173.43 3h7t s VAL 18 N -0.92 3.55 -0.31 1.40 1.01 0.15 -0.63 120.40 124.64 3h7t s VAL 18 Ca 0.21 -1.81 -0.17 0.00 0.00 0.00 0.00 61.98 60.20 3h7t s VAL 18 Cb -0.15 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 3h7t s VAL 18 CO 0.10 -0.59 0.49 -0.76 0.00 0.00 0.00 175.10 174.34 3h7t s LEU 19 N 1.24 4.22 -0.16 3.92 1.02 -0.00 -2.15 118.68 126.77 3h7t s LEU 19 Ca 0.05 0.17 -0.00 0.00 0.02 0.00 0.00 54.13 54.37 3h7t s LEU 19 Cb -0.23 -2.58 -0.00 0.00 0.02 0.00 0.00 46.19 43.40 3h7t s LEU 19 CO -0.02 -0.38 -0.15 -0.69 0.02 0.00 0.00 176.35 175.13 3h7t s VAL 20 N 2.31 2.68 0.13 -1.59 1.01 -1.26 -0.97 120.40 122.72 3h7t s VAL 20 Ca 0.19 -0.76 -0.32 0.00 0.00 0.00 0.00 61.98 61.09 3h7t s VAL 20 Cb -0.16 -2.14 -0.11 0.00 0.00 0.00 0.00 36.38 33.97 3h7t s VAL 20 CO 0.12 0.51 1.80 -0.90 0.00 0.00 0.00 175.10 176.63 3h7t n ASP 21 N 4.16 3.94 -1.19 3.32 5.75 0.34 -1.98 116.55 130.89 3h7t n ASP 21 Ca -0.19 1.01 -0.14 0.00 -0.01 0.00 0.00 54.79 55.46 3h7t n ASP 21 Cb 0.52 -1.53 -0.06 0.00 -1.03 0.00 0.00 41.12 39.01 3h7t n ASP 21 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 3h7t n GLU 22 N 5.22 -1.50 -4.35 0.11 -0.00 -1.26 -4.96 120.64 113.90 3h7t n GLU 22 Ca 0.18 0.88 -0.18 0.00 -0.00 0.00 0.00 57.16 58.04 3h7t n GLU 22 Cb 0.36 -5.15 -0.10 0.00 -0.00 0.00 0.00 31.44 26.54 3h7t n GLU 22 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3h7t s LYS 23 N -3.07 1.36 0.52 3.44 1.02 -0.84 -5.13 119.74 117.04 3h7t s LYS 23 Ca 0.00 -1.67 -0.23 0.00 0.02 0.00 0.00 55.97 54.09 3h7t s LYS 23 Cb 0.00 -0.81 -0.06 0.00 -0.52 0.00 0.00 37.83 36.44 3h7t s LYS 23 CO 0.00 -0.01 1.39 -2.14 -0.92 0.00 0.00 175.35 173.67 3h7t s PRO 24 N -3.79 3.30 0.64 -1.68 0.02 -1.26 -4.55 135.00 127.68 3h7t s PRO 24 Ca 0.27 2.31 -0.16 0.00 0.02 0.00 0.00 61.00 63.44 3h7t s PRO 24 Cb 0.04 -2.39 -0.01 0.00 0.02 0.00 0.00 34.50 32.17 3h7t s PRO 24 CO 0.08 -1.09 1.14 0.12 -0.33 0.00 0.00 177.00 176.93 3h7t s PHE 25 N -1.26 2.51 0.04 6.54 5.36 -1.26 -4.55 117.98 125.36 3h7t s PHE 25 Ca 0.68 1.56 -0.07 0.00 -0.96 0.00 0.00 56.93 58.14 3h7t s PHE 25 Cb -0.42 -3.27 -0.00 0.00 -0.34 0.00 0.00 43.02 38.98 3h7t s PHE 25 CO 0.51 -1.87 0.13 0.00 -1.46 0.00 0.00 175.22 172.54 3h7t s GLY 27 N -2.06 1.72 0.21 0.00 0.00 -0.40 0.30 107.32 107.10 3h7t s GLY 27 Ca -0.06 -1.13 -0.22 0.00 0.00 0.00 0.00 44.72 43.31 3h7t s GLY 27 CO -0.04 -0.66 0.92 -0.32 0.00 0.00 0.00 173.10 173.00 3h7t s GLY 28 N -4.59 -0.04 0.00 0.20 0.00 -0.43 -4.13 107.32 98.34 3h7t s GLY 28 Ca 0.63 -0.18 0.02 0.00 0.00 0.00 0.00 44.72 45.19 3h7t s GLY 28 CO 0.45 0.48 -0.06 -0.56 0.00 0.00 0.00 173.10 173.41 3h7t s SER 29 N -3.06 0.69 -0.18 1.64 0.01 -0.18 -1.36 113.70 111.26 3h7t s SER 29 Ca 0.15 -0.18 -0.29 0.00 1.31 0.00 0.00 55.95 56.93 3h7t s SER 29 Cb -0.03 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.14 3h7t s SER 29 CO 0.05 0.02 1.17 -0.63 0.41 0.00 0.00 173.24 174.26 3h7t s ILE 30 N -0.36 4.43 -0.24 1.44 1.01 0.02 -0.87 121.20 126.63 3h7t s ILE 30 Ca -0.00 1.73 -0.09 0.00 0.00 0.00 0.00 60.65 62.29 3h7t s ILE 30 Cb -0.04 -4.12 -0.16 0.00 0.01 0.00 0.00 42.46 38.15 3h7t s ILE 30 CO -0.00 -0.14 -0.15 0.18 0.00 0.00 0.00 174.94 174.83 3h7t n LEU 31 N 6.36 2.34 0.00 2.97 4.77 -0.37 -1.31 117.00 131.77 3h7t n LEU 31 Ca 0.13 0.19 -0.19 0.00 -0.03 0.00 0.00 56.01 56.11 3h7t n LEU 31 Cb 0.45 -0.90 -0.07 0.00 -2.33 0.00 0.00 43.42 40.57 3h7t n LEU 31 CO 0.54 0.68 -0.10 0.35 -1.33 0.00 0.00 177.39 177.53 3h7t n THR 32 N -3.88 0.00 0.22 -5.08 -2.24 -0.99 -4.58 114.28 97.73 3h7t n THR 32 Ca -0.46 -2.21 0.12 0.00 -2.27 0.00 0.00 64.05 59.22 3h7t n THR 32 Cb 0.91 1.05 0.60 0.00 -2.10 0.00 0.00 70.33 70.79 3h7t n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h7t h ALA 33 N 1.91 1.00 -0.00 6.98 0.00 -1.97 -3.01 119.26 124.17 3h7t h ALA 33 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3h7t h ALA 33 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3h7t h ALA 33 CO 0.34 0.00 -0.09 0.09 0.00 0.00 0.00 179.25 179.59 3h7t n ASN 34 N -2.30 0.36 -3.91 0.00 3.02 -1.26 0.68 115.26 111.85 3h7t n ASN 34 Ca -0.01 -0.68 -0.18 0.00 -0.03 0.00 0.00 54.58 53.68 3h7t n ASN 34 Cb 0.08 0.77 -0.15 0.00 -0.61 0.00 0.00 39.78 39.86 3h7t n ASN 34 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3h7t s PHE 35 N -0.99 0.54 0.17 3.10 0.08 -1.14 -1.23 117.98 118.51 3h7t s PHE 35 Ca 0.01 -0.11 0.11 0.00 0.12 0.00 0.00 56.93 57.07 3h7t s PHE 35 Cb 0.02 -0.45 -0.04 0.00 -0.57 0.00 0.00 43.02 41.97 3h7t s PHE 35 CO 0.08 -0.10 -0.25 0.14 -0.10 0.00 0.00 175.22 175.00 3h7t s VAL 36 N 0.47 2.30 -0.05 -0.44 -7.23 -0.36 -1.23 120.40 113.85 3h7t s VAL 36 Ca -0.05 -1.93 0.05 0.00 -1.81 0.00 0.00 61.98 58.24 3h7t s VAL 36 Cb -0.09 -2.07 -0.02 0.00 0.56 0.00 0.00 36.38 34.77 3h7t s VAL 36 CO -0.00 -0.05 -0.21 -0.51 -0.31 0.00 0.00 175.10 174.02 3h7t s ILE 37 N -1.46 2.48 0.04 -0.62 2.07 -0.05 -0.37 121.20 123.29 3h7t s ILE 37 Ca 0.18 -0.93 0.00 0.00 -1.41 0.00 0.00 60.65 58.50 3h7t s ILE 37 Cb -0.09 -1.93 -0.00 0.00 0.13 0.00 0.00 42.46 40.57 3h7t s ILE 37 CO 0.08 0.58 0.04 1.07 -1.91 0.00 0.00 174.94 174.80 3h7t n THR 38 N 2.64 0.00 -3.14 4.00 5.66 -0.22 -1.01 114.28 122.21 3h7t n THR 38 Ca -0.17 -0.26 -0.34 0.00 -3.05 0.00 0.00 64.05 60.23 3h7t n THR 38 Cb 0.52 0.14 -0.06 0.00 -1.55 0.00 0.00 70.33 69.37 3h7t n THR 38 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3h7t s ALA 39 N -2.00 3.38 0.34 1.79 0.00 -1.26 -0.30 121.76 123.72 3h7t s ALA 39 Ca 0.04 0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.16 3h7t s ALA 39 Cb 0.00 -2.77 0.63 0.00 0.00 0.00 0.00 23.12 20.98 3h7t s ALA 39 CO 0.03 0.34 1.83 0.00 0.00 0.00 0.00 175.76 177.96 3h7t h ALA 40 N 2.85 1.34 0.00 0.00 0.00 -1.66 -2.82 119.26 118.96 3h7t h ALA 40 Ca -0.48 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3h7t h ALA 40 Cb 1.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3h7t h ALA 40 CO 0.65 0.45 0.07 -0.56 0.00 0.00 0.00 179.25 179.86 3h7t h GLN 41 N 0.29 0.00 0.12 0.00 3.07 -1.92 -1.22 115.11 115.45 3h7t h GLN 41 Ca 0.05 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 58.50 3h7t h GLN 41 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.07 3h7t h GLN 41 CO 0.03 0.00 -1.39 0.00 0.09 0.00 0.00 178.83 177.56 3h7t n VAL 43 N -3.48 0.05 -1.71 0.00 0.24 -0.95 -4.90 118.33 107.58 3h7t n VAL 43 Ca -0.12 -0.32 -0.42 0.00 -2.04 0.00 0.00 64.34 61.44 3h7t n VAL 43 Cb 1.03 1.35 -0.03 0.00 -1.47 0.00 0.00 33.84 34.73 3h7t n VAL 43 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3h7t s ASP 44 N -0.05 6.47 -0.01 -1.34 2.15 -0.50 -1.92 116.67 121.48 3h7t s ASP 44 Ca 0.00 2.63 0.00 0.00 0.43 0.00 0.00 52.55 55.61 3h7t s ASP 44 Cb 0.00 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 3h7t s ASP 44 CO 0.00 -1.04 0.00 0.61 -0.17 0.00 0.00 175.17 174.57 3h7t n GLY 45 N 4.49 0.47 3.75 2.66 0.00 -1.26 -5.03 105.19 110.27 3h7t n GLY 45 Ca 0.20 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3h7t n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h7t s THR 46 N -1.99 4.88 0.34 2.61 2.01 -0.81 -5.09 115.64 117.59 3h7t s THR 46 Ca 0.00 -0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.69 3h7t s THR 46 Cb 0.00 -3.12 -0.10 0.00 0.01 0.00 0.00 72.50 69.29 3h7t s THR 46 CO 0.00 0.58 1.38 -1.59 -0.69 0.00 0.00 174.62 174.30 3h7t s LYS 47 N -0.63 4.26 0.56 4.92 0.00 -1.26 -4.92 119.74 122.66 3h7t s LYS 47 Ca 0.11 2.34 0.24 0.00 0.00 0.00 0.00 55.97 58.67 3h7t s LYS 47 Cb -0.12 -3.04 1.51 0.00 0.00 0.00 0.00 37.83 36.18 3h7t s LYS 47 CO 0.02 -0.33 2.13 -1.35 0.00 0.00 0.00 175.35 175.83 3h7t h PRO 48 N 3.48 0.00 0.00 1.78 0.11 -1.87 -1.61 132.00 133.89 3h7t h PRO 48 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3h7t h PRO 48 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3h7t h PRO 48 CO 0.67 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.33 3h7t n SER 49 N -4.17 0.00 -1.34 -2.05 3.41 -1.26 -2.68 113.62 105.54 3h7t n SER 49 Ca 0.00 -0.04 0.11 0.00 -0.26 0.00 0.00 58.87 58.68 3h7t n SER 49 Cb 0.24 -0.30 0.32 0.00 -0.26 0.00 0.00 64.21 64.20 3h7t n SER 49 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3h7t n ASP 50 N -1.30 3.88 -4.05 4.04 8.00 -0.61 -4.92 116.55 121.59 3h7t n ASP 50 Ca 0.12 -2.05 -0.25 0.00 0.71 0.00 0.00 54.79 53.32 3h7t n ASP 50 Cb 0.22 -0.48 -0.17 0.00 -0.02 0.00 0.00 41.12 40.67 3h7t n ASP 50 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h7t s ILE 51 N -1.14 1.25 0.07 0.53 1.01 -1.09 -0.50 121.20 121.32 3h7t s ILE 51 Ca 0.48 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.64 3h7t s ILE 51 Cb 0.25 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 3h7t s ILE 51 CO 0.31 0.38 -0.17 -0.94 0.00 0.00 0.00 174.94 174.52 3h7t s SER 52 N 0.56 2.09 -0.19 3.58 1.04 -0.14 -0.89 113.70 119.75 3h7t s SER 52 Ca -0.14 -0.60 -0.06 0.00 0.48 0.00 0.00 55.95 55.64 3h7t s SER 52 Cb -0.15 -0.11 -0.03 0.00 0.10 0.00 0.00 66.02 65.82 3h7t s SER 52 CO 0.04 0.03 0.03 -0.63 0.98 0.00 0.00 173.24 173.68 3h7t s ILE 53 N -1.08 4.33 -0.23 -1.02 -1.09 0.13 -0.82 121.20 121.40 3h7t s ILE 53 Ca 0.03 -0.19 -0.05 0.00 -2.23 0.00 0.00 60.65 58.21 3h7t s ILE 53 Cb -0.09 -2.95 -0.01 0.00 -1.58 0.00 0.00 42.46 37.83 3h7t s ILE 53 CO 0.03 0.44 -0.01 -2.28 -1.23 0.00 0.00 174.94 171.88 3h7t s HIS 54 N 0.72 3.00 0.23 3.97 5.65 0.20 -1.04 115.29 128.02 3h7t s HIS 54 Ca 0.01 -0.90 0.03 0.00 0.25 0.00 0.00 55.06 54.45 3h7t s HIS 54 Cb -0.14 -2.14 -0.05 0.00 -1.18 0.00 0.00 32.58 29.07 3h7t s HIS 54 CO 0.02 -0.53 0.02 1.52 -0.65 0.00 0.00 174.74 175.12 3h7t s TYR 55 N 1.49 1.50 -1.32 3.88 -0.85 -0.50 -0.67 117.35 120.89 3h7t s TYR 55 Ca 0.05 -1.00 -0.01 0.00 -0.52 0.00 0.00 57.07 55.59 3h7t s TYR 55 Cb -0.15 -0.87 0.00 0.00 0.38 0.00 0.00 41.96 41.32 3h7t s TYR 55 CO -0.02 -0.13 0.18 0.41 -1.52 0.00 0.00 175.55 174.47 3h7t n GLY 56 N -0.40 -0.28 3.23 5.49 0.00 -1.26 -2.01 105.19 109.96 3h7t n GLY 56 Ca -0.04 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 3h7t n GLY 56 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h7t s SER 57 N -2.46 -0.34 0.27 1.61 0.15 -1.26 -4.67 113.70 106.99 3h7t s SER 57 Ca 0.09 0.65 0.25 0.00 0.70 0.00 0.00 55.95 57.64 3h7t s SER 57 Cb -0.04 0.67 0.96 0.00 -1.71 0.00 0.00 66.02 65.90 3h7t s SER 57 CO 0.11 -0.14 1.74 0.28 1.20 0.00 0.00 173.24 176.43 3h7t h SER 58 N 5.50 0.00 -3.27 5.45 0.02 -1.91 -3.44 113.55 115.90 3h7t h SER 58 Ca -0.27 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.12 3h7t h SER 58 Cb 1.19 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.69 3h7t h SER 58 CO 0.30 0.00 -0.17 -0.31 -1.14 0.00 0.00 176.83 175.51 3h7t s TYR 59 N -3.29 3.53 0.19 3.45 2.02 -1.26 -0.65 117.35 121.34 3h7t s TYR 59 Ca 0.05 0.85 -0.10 0.00 -0.37 0.00 0.00 57.07 57.51 3h7t s TYR 59 Cb 0.10 -2.22 0.12 0.00 -0.40 0.00 0.00 41.96 39.55 3h7t s TYR 59 CO 0.45 0.41 1.77 -0.09 -1.57 0.00 0.00 175.55 176.52 3h7t h ARG 60 N 3.22 1.02 0.00 -0.62 2.43 -1.57 -3.37 114.38 115.48 3h7t h ARG 60 Ca -0.48 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 3h7t h ARG 60 Cb 1.18 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 3h7t h ARG 60 CO 0.68 0.82 0.00 0.25 -1.51 0.00 0.00 179.97 180.21 3h7t n THR 61 N -4.41 0.00 -4.34 0.20 -2.24 -1.26 -4.76 114.28 97.47 3h7t n THR 61 Ca 0.05 -0.15 -0.18 0.00 -2.27 0.00 0.00 64.05 61.51 3h7t n THR 61 Cb 0.15 1.49 -0.10 0.00 -2.10 0.00 0.00 70.33 69.77 3h7t n THR 61 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3h7t s THR 62 N -0.09 1.51 -1.50 4.28 -4.23 -1.26 -4.85 115.64 109.50 3h7t s THR 62 Ca 0.00 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 58.37 3h7t s THR 62 Cb 0.00 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.70 3h7t s THR 62 CO 0.00 -0.52 0.00 0.29 -0.54 0.00 0.00 174.62 173.85 3h7t n LYS 63 N -0.40 -1.08 0.00 3.99 4.76 -1.26 -4.46 118.16 119.72 3h7t n LYS 63 Ca -0.07 0.99 0.00 0.00 -2.87 0.00 0.00 58.31 56.35 3h7t n LYS 63 Cb 0.62 -5.12 0.00 0.00 -1.84 0.00 0.00 35.03 28.68 3h7t n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h7t n GLY 64 N -1.06 4.53 3.25 0.72 0.00 -1.26 -4.61 105.19 106.77 3h7t n GLY 64 Ca -0.14 -1.72 -0.27 0.00 0.00 0.00 0.00 46.02 43.88 3h7t n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h7t s THR 65 N 3.21 1.73 -0.13 2.61 2.01 -0.85 -4.98 115.64 119.25 3h7t s THR 65 Ca 0.00 -1.11 0.01 0.00 0.31 0.00 0.00 61.69 60.90 3h7t s THR 65 Cb 0.00 -1.48 -0.01 0.00 0.01 0.00 0.00 72.50 71.03 3h7t s THR 65 CO 0.00 0.34 -0.17 -0.44 -0.69 0.00 0.00 174.62 173.65 3h7t s SER 66 N -0.91 3.60 -0.04 3.53 0.01 -1.26 -1.40 113.70 117.23 3h7t s SER 66 Ca 0.08 -0.45 0.07 0.00 1.31 0.00 0.00 55.95 56.96 3h7t s SER 66 Cb -0.09 -1.53 -0.01 0.00 0.21 0.00 0.00 66.02 64.59 3h7t s SER 66 CO 0.01 0.13 -0.25 -0.69 0.41 0.00 0.00 173.24 172.84 3h7t s VAL 67 N 0.54 2.04 0.65 3.43 1.01 -0.21 -4.93 120.40 122.93 3h7t s VAL 67 Ca -0.11 -1.08 -0.15 0.00 0.00 0.00 0.00 61.98 60.64 3h7t s VAL 67 Cb -0.16 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 3h7t s VAL 67 CO 0.04 0.57 1.10 0.00 0.00 0.00 0.00 175.10 176.82 3h7t s MET 68 N -0.35 2.90 0.09 2.72 0.23 -1.26 0.18 119.30 123.81 3h7t s MET 68 Ca 0.02 1.37 -0.25 0.00 -1.03 0.00 0.00 55.69 55.80 3h7t s MET 68 Cb -0.12 -1.96 -0.06 0.00 -1.53 0.00 0.00 34.83 31.15 3h7t s MET 68 CO 0.02 -1.17 0.78 0.00 -2.03 0.00 0.00 175.02 172.61 3h7t s ALA 69 N -2.34 3.39 -0.24 3.16 0.00 -0.07 -0.65 121.76 125.02 3h7t s ALA 69 Ca 0.67 0.32 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 3h7t s ALA 69 Cb -0.20 -2.99 -0.17 0.00 0.00 0.00 0.00 23.12 19.76 3h7t s ALA 69 CO 0.40 0.14 -0.11 1.63 0.00 0.00 0.00 175.76 177.82 3h7t n LYS 70 N 2.36 0.62 -3.87 0.00 4.01 0.83 -4.02 118.16 118.09 3h7t n LYS 70 Ca -0.03 0.30 -0.11 0.00 -0.51 0.00 0.00 58.31 57.95 3h7t n LYS 70 Cb 0.50 -1.58 -0.12 0.00 -0.51 0.00 0.00 35.03 33.32 3h7t n LYS 70 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3h7t s LYS 71 N -2.49 0.22 -0.17 1.97 1.02 -1.09 -4.81 119.74 114.39 3h7t s LYS 71 Ca -0.34 -0.12 -0.02 0.00 0.02 0.00 0.00 55.97 55.51 3h7t s LYS 71 Cb 0.11 0.09 -0.01 0.00 -0.52 0.00 0.00 37.83 37.49 3h7t s LYS 71 CO 0.57 -0.04 -0.08 -1.50 -0.92 0.00 0.00 175.35 173.39 3h7t s ILE 72 N -0.53 3.34 -0.23 2.17 1.10 -1.26 -0.68 121.20 125.11 3h7t s ILE 72 Ca -0.06 -0.53 -0.04 0.00 -0.51 0.00 0.00 60.65 59.50 3h7t s ILE 72 Cb -0.04 -2.47 -0.01 0.00 0.15 0.00 0.00 42.46 40.10 3h7t s ILE 72 CO 0.00 0.48 -0.02 -0.31 -2.11 0.00 0.00 174.94 172.98 3h7t s TYR 73 N 0.83 2.98 -0.06 3.50 2.02 0.37 -0.90 117.35 126.09 3h7t s TYR 73 Ca -0.02 -0.87 0.02 0.00 -0.37 0.00 0.00 57.07 55.83 3h7t s TYR 73 Cb -0.15 -2.13 0.01 0.00 -0.40 0.00 0.00 41.96 39.30 3h7t s TYR 73 CO 0.01 -0.52 -0.12 0.42 -1.57 0.00 0.00 175.55 173.77 3h7t s ILE 74 N 1.50 1.11 -0.62 2.71 1.01 -1.26 -1.12 121.20 124.53 3h7t s ILE 74 Ca 0.06 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.24 3h7t s ILE 74 Cb -0.14 -1.01 0.16 0.00 0.01 0.00 0.00 42.46 41.47 3h7t s ILE 74 CO -0.02 0.35 0.41 -0.69 0.00 0.00 0.00 174.94 174.98 3h7t s VAL 75 N 0.56 3.14 -1.18 2.92 1.01 -1.26 -4.80 120.40 120.79 3h7t s VAL 75 Ca -0.12 -3.48 -0.07 0.00 0.00 0.00 0.00 61.98 58.31 3h7t s VAL 75 Cb -0.15 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.16 3h7t s VAL 75 CO 0.03 -0.89 0.93 0.54 0.00 0.00 0.00 175.10 175.72 3h7t n ARG 76 N 2.90 -6.39 -1.71 2.72 5.12 -1.26 -4.90 116.66 113.14 3h7t n ARG 76 Ca 0.10 0.72 -0.42 0.00 -1.93 0.00 0.00 57.85 56.32 3h7t n ARG 76 Cb 0.35 -5.38 -0.03 0.00 -1.16 0.00 0.00 32.46 26.24 3h7t n ARG 76 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 3h7t s TYR 77 N -3.24 2.14 -0.39 -1.55 5.04 -1.26 -4.64 117.35 113.44 3h7t s TYR 77 Ca 0.46 -0.03 -0.04 0.00 -2.44 0.00 0.00 57.07 55.02 3h7t s TYR 77 Cb -0.20 -4.18 0.09 0.00 0.35 0.00 0.00 41.96 38.02 3h7t s TYR 77 CO 0.57 -4.88 0.18 -1.01 -1.34 0.00 0.00 175.55 169.08 3h7t s HIS 78 N 2.75 3.48 0.34 4.97 3.76 -0.65 -4.99 115.29 124.95 3h7t s HIS 78 Ca 0.81 -2.14 0.06 0.00 -0.15 0.00 0.00 55.06 53.65 3h7t s HIS 78 Cb -0.46 -2.99 0.74 0.00 1.11 0.00 0.00 32.58 30.97 3h7t s HIS 78 CO 0.36 -0.92 1.87 -1.35 -0.85 0.00 0.00 174.74 173.85 3h7t h PRO 79 N 8.12 0.76 -0.48 8.40 0.11 -1.93 0.20 132.00 147.18 3h7t h PRO 79 Ca -0.16 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.92 3h7t h PRO 79 Cb 1.06 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.97 3h7t h PRO 79 CO 0.69 0.50 0.29 1.25 -0.21 0.00 0.00 178.00 180.52 3h7t h LEU 80 N 0.78 0.48 -1.59 2.35 5.85 -1.97 -2.62 115.31 118.59 3h7t h LEU 80 Ca 0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.16 3h7t h LEU 80 Cb 0.60 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3h7t h LEU 80 CO -0.21 0.34 -0.06 0.35 -0.34 0.00 0.00 178.44 178.52 3h7t n THR 81 N -4.80 0.00 -4.28 1.05 -2.24 -1.14 -4.97 114.28 97.90 3h7t n THR 81 Ca 0.03 -0.47 -0.34 0.00 -2.27 0.00 0.00 64.05 61.00 3h7t n THR 81 Cb 0.06 1.36 -0.06 0.00 -2.10 0.00 0.00 70.33 69.59 3h7t n THR 81 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3h7t n MET 82 N 0.87 -1.87 -2.96 -0.78 2.81 0.67 -4.25 117.12 111.60 3h7t n MET 82 Ca 0.10 0.23 -0.37 0.00 -1.81 0.00 0.00 57.70 55.85 3h7t n MET 82 Cb 0.46 -4.38 -0.06 0.00 -0.71 0.00 0.00 33.22 28.52 3h7t n MET 82 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3h7t s GLN 83 N -7.08 4.46 -1.20 0.03 -0.21 -0.95 -4.15 119.66 110.57 3h7t s GLN 83 Ca 0.36 1.11 -0.02 0.00 0.02 0.00 0.00 55.36 56.83 3h7t s GLN 83 Cb -0.20 -2.98 0.00 0.00 1.00 0.00 0.00 33.01 30.83 3h7t s GLN 83 CO 0.97 0.42 1.02 0.09 -2.12 0.00 0.00 175.29 175.66 3h7t n ASN 84 N 0.96 -3.24 -3.78 5.90 3.02 -1.26 -1.64 115.26 115.22 3h7t n ASN 84 Ca -0.02 -0.58 -0.42 0.00 -0.03 0.00 0.00 54.58 53.53 3h7t n ASN 84 Cb 0.50 -4.93 0.00 0.00 -0.61 0.00 0.00 39.78 34.74 3h7t n ASN 84 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3h7t n ASN 85 N -3.00 4.91 -3.80 6.41 5.15 -1.26 -4.20 115.26 119.48 3h7t n ASN 85 Ca -0.20 -3.00 -0.11 0.00 -0.60 0.00 0.00 54.58 50.67 3h7t n ASN 85 Cb 0.63 -1.54 -0.08 0.00 -0.53 0.00 0.00 39.78 38.27 3h7t n ASN 85 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 3h7t s TYR 86 N 1.33 -0.03 0.01 1.20 -0.85 -1.26 -3.44 117.35 114.30 3h7t s TYR 86 Ca 0.44 -0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.86 3h7t s TYR 86 Cb 0.12 0.03 -0.01 0.00 0.38 0.00 0.00 41.96 42.49 3h7t s TYR 86 CO -0.03 -0.45 -0.02 0.00 -1.52 0.00 0.00 175.55 173.52 3h7t s ALA 87 N -2.44 0.15 -0.13 9.51 0.00 0.59 -3.85 121.76 125.59 3h7t s ALA 87 Ca -0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 51.96 51.64 3h7t s ALA 87 Cb -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 3h7t s ALA 87 CO -0.03 -0.02 -0.02 0.08 0.00 0.00 0.00 175.76 175.78 3h7t s VAL 88 N -0.44 4.09 -0.19 0.00 1.01 -0.28 -1.06 120.40 123.54 3h7t s VAL 88 Ca -0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 3h7t s VAL 88 Cb -0.03 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 3h7t s VAL 88 CO -0.00 0.53 -0.08 -0.63 0.00 0.00 0.00 175.10 174.91 3h7t s ILE 89 N -0.06 3.19 -0.10 2.22 1.01 0.50 -0.48 121.20 127.48 3h7t s ILE 89 Ca 0.03 -0.57 -0.21 0.00 0.00 0.00 0.00 60.65 59.89 3h7t s ILE 89 Cb -0.13 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 3h7t s ILE 89 CO 0.02 0.47 0.62 -0.70 0.00 0.00 0.00 174.94 175.35 3h7t s GLU 90 N 1.09 4.37 0.40 2.79 2.12 0.15 -1.23 118.70 128.38 3h7t s GLU 90 Ca 0.01 0.70 -0.21 0.00 0.36 0.00 0.00 54.97 55.83 3h7t s GLU 90 Cb -0.15 -3.47 -0.11 0.00 0.26 0.00 0.00 34.13 30.67 3h7t s GLU 90 CO -0.01 0.04 0.92 0.95 -0.54 0.00 0.00 175.26 176.62 3h7t s THR 91 N 0.94 4.39 0.34 -1.70 -4.23 -0.37 -0.12 115.64 114.89 3h7t s THR 91 Ca 0.32 1.49 0.03 0.00 -1.18 0.00 0.00 61.69 62.35 3h7t s THR 91 Cb -0.17 -3.68 0.28 0.00 1.34 0.00 0.00 72.50 70.28 3h7t s THR 91 CO 0.14 -0.21 1.96 1.05 -0.54 0.00 0.00 174.62 177.02 3h7t h GLU 92 N 2.20 0.86 -4.52 3.99 9.09 -1.15 -3.41 114.58 121.63 3h7t h GLU 92 Ca -0.48 -0.05 -0.19 0.00 0.05 0.00 0.00 59.36 58.68 3h7t h GLU 92 Cb 1.18 -0.19 -0.15 0.00 -1.65 0.00 0.00 28.75 27.94 3h7t h GLU 92 CO 0.62 0.57 -0.69 0.00 0.05 0.00 0.00 179.01 179.56 3h7t s MET 93 N -5.77 0.78 0.49 1.06 0.23 -1.26 -4.97 119.30 109.86 3h7t s MET 93 Ca -0.10 -1.31 -0.24 0.00 -1.03 0.00 0.00 55.69 53.01 3h7t s MET 93 Cb 0.19 -0.07 -0.07 0.00 -1.53 0.00 0.00 34.83 33.35 3h7t s MET 93 CO 0.78 -0.06 1.36 -2.30 -2.03 0.00 0.00 175.02 172.77 3h7t n PRO 94 N -0.01 1.92 -2.80 3.16 -0.02 -1.26 -4.89 135.00 131.10 3h7t n PRO 94 Ca -0.12 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 3h7t n PRO 94 Cb 0.61 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 3h7t n PRO 94 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h7t s ILE 95 N -1.24 4.87 -1.08 4.25 1.01 0.21 -4.96 121.20 124.27 3h7t s ILE 95 Ca 0.66 1.86 -0.23 0.00 0.00 0.00 0.00 60.65 62.94 3h7t s ILE 95 Cb -0.44 -4.23 -0.07 0.00 0.01 0.00 0.00 42.46 37.73 3h7t s ILE 95 CO 0.54 0.09 1.93 -0.54 0.00 0.00 0.00 174.94 176.96 3h7t s LYS 96 N 1.57 2.54 -0.35 2.79 3.01 -1.26 -4.79 119.74 123.25 3h7t s LYS 96 Ca 0.45 -0.85 -0.29 0.00 -1.01 0.00 0.00 55.97 54.28 3h7t s LYS 96 Cb -0.19 -5.18 -0.00 0.00 -1.01 0.00 0.00 37.83 31.45 3h7t s LYS 96 CO 0.19 -3.73 1.47 -0.51 0.51 0.00 0.00 175.35 173.29 3h7t s LEU 97 N 10.56 3.67 0.00 3.17 1.02 -1.26 -4.81 118.68 131.03 3h7t s LEU 97 Ca 0.69 1.07 0.00 0.00 0.02 0.00 0.00 54.13 55.91 3h7t s LEU 97 Cb -0.03 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.64 3h7t s LEU 97 CO 0.08 -1.38 0.00 -0.90 0.02 0.00 0.00 176.35 174.16 3h7t n ASP 98 N 8.75 0.34 0.01 2.29 3.85 -0.97 -5.04 116.55 125.79 3h7t n ASP 98 Ca 0.17 -0.77 0.11 0.00 -0.71 0.00 0.00 54.79 53.60 3h7t n ASP 98 Cb 0.47 0.00 0.06 0.00 -1.35 0.00 0.00 41.12 40.30 3h7t n ASP 98 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 3h7t n ASP 99 N -2.04 0.68 -0.04 -1.12 5.68 -1.26 -4.55 116.55 113.89 3h7t n ASP 99 Ca 0.00 -0.44 -0.10 0.00 -0.50 0.00 0.00 54.79 53.75 3h7t n ASP 99 Cb 0.00 0.69 -0.03 0.00 -1.14 0.00 0.00 41.12 40.63 3h7t n ASP 99 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3h7t n LYS 100 N -1.68 0.19 -0.01 0.11 -0.00 -1.26 -4.87 118.16 110.64 3h7t n LYS 100 Ca 0.04 0.08 0.06 0.00 -0.00 0.00 0.00 58.31 58.49 3h7t n LYS 100 Cb 0.37 -0.82 -0.10 0.00 -0.00 0.00 0.00 35.03 34.48 3h7t n LYS 100 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 3h7t n THR 101 N -3.43 0.00 -3.59 0.58 5.66 -1.26 -4.33 114.28 107.90 3h7t n THR 101 Ca -0.17 -0.28 -0.22 0.00 -3.05 0.00 0.00 64.05 60.32 3h7t n THR 101 Cb 0.60 0.28 -0.16 0.00 -1.55 0.00 0.00 70.33 69.50 3h7t n THR 101 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3h7t s THR 102 N -2.82 -0.17 -0.04 1.09 2.01 -1.25 -3.99 115.64 110.46 3h7t s THR 102 Ca -0.04 -0.02 -0.07 0.00 0.31 0.00 0.00 61.69 61.87 3h7t s THR 102 Cb 0.08 -0.52 0.01 0.00 0.01 0.00 0.00 72.50 72.09 3h7t s THR 102 CO 0.53 -0.16 0.18 -0.54 -0.69 0.00 0.00 174.62 173.94 3h7t s LYS 103 N 2.21 0.34 0.59 4.92 1.02 -0.83 -2.28 119.74 125.70 3h7t s LYS 103 Ca 0.04 0.02 -0.19 0.00 0.02 0.00 0.00 55.97 55.85 3h7t s LYS 103 Cb -0.15 0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.27 3h7t s LYS 103 CO -0.09 -0.06 1.24 -1.59 -0.92 0.00 0.00 175.35 173.93 3h7t s LYS 104 N -0.48 2.97 -0.09 1.68 0.00 -1.26 -3.42 119.74 119.14 3h7t s LYS 104 Ca -0.06 1.92 0.00 0.00 0.00 0.00 0.00 55.97 57.84 3h7t s LYS 104 Cb -0.04 -1.99 -0.03 0.00 0.00 0.00 0.00 37.83 35.78 3h7t s LYS 104 CO 0.01 -1.23 -0.08 -1.50 0.00 0.00 0.00 175.35 172.55 3h7t s ILE 105 N -1.51 3.60 0.41 3.79 1.10 -0.43 -4.84 121.20 123.32 3h7t s ILE 105 Ca 0.77 -0.50 -0.25 0.00 -0.51 0.00 0.00 60.65 60.16 3h7t s ILE 105 Cb -0.33 -2.49 -0.08 0.00 0.15 0.00 0.00 42.46 39.71 3h7t s ILE 105 CO 0.36 0.57 1.20 -1.61 -2.11 0.00 0.00 174.94 173.35 3h7t s GLU 106 N -0.44 4.00 0.48 3.50 0.41 -1.22 -4.70 118.70 120.73 3h7t s GLU 106 Ca 0.06 1.90 -0.20 0.00 -0.41 0.00 0.00 54.97 56.32 3h7t s GLU 106 Cb -0.12 -2.67 -0.08 0.00 -1.78 0.00 0.00 34.13 29.48 3h7t s GLU 106 CO 0.02 -0.38 1.05 -1.17 -0.49 0.00 0.00 175.26 174.29 3h7t s LEU 107 N -2.53 3.86 0.76 1.80 2.96 -1.26 -0.61 118.68 123.65 3h7t s LEU 107 Ca 0.58 1.96 -0.11 0.00 -0.22 0.00 0.00 54.13 56.34 3h7t s LEU 107 Cb -0.32 -4.54 0.06 0.00 0.50 0.00 0.00 46.19 41.89 3h7t s LEU 107 CO 0.40 -0.80 1.12 -2.16 -1.32 0.00 0.00 176.35 173.59 3h7t s PRO 108 N -3.19 2.27 0.76 0.98 0.04 -1.25 -4.78 135.00 129.82 3h7t s PRO 108 Ca 0.67 0.13 -0.14 0.00 0.04 0.00 0.00 61.00 61.70 3h7t s PRO 108 Cb -0.17 -2.02 0.06 0.00 0.04 0.00 0.00 34.50 32.40 3h7t s PRO 108 CO 0.21 -1.36 1.21 -1.54 0.04 0.00 0.00 177.00 175.56 3h7t s SER 109 N -4.50 3.94 -0.07 6.66 1.04 -1.26 -4.86 113.70 114.66 3h7t s SER 109 Ca 0.60 2.37 -0.37 0.00 0.48 0.00 0.00 55.95 59.04 3h7t s SER 109 Cb -0.11 -2.59 -0.15 0.00 0.10 0.00 0.00 66.02 63.28 3h7t s SER 109 CO 0.49 -2.43 1.66 -0.11 0.98 0.00 0.00 173.24 173.82 3h7t n LEU 110 N -2.95 2.61 -1.41 2.42 7.94 -1.26 -1.47 117.00 122.88 3h7t n LEU 110 Ca 0.14 1.06 -0.17 0.00 -1.11 0.00 0.00 56.01 55.92 3h7t n LEU 110 Cb 0.50 -1.26 -0.06 0.00 0.53 0.00 0.00 43.42 43.13 3h7t n LEU 110 CO 0.48 -0.45 -0.17 0.18 -1.11 0.00 0.00 177.39 176.31 3h7t n LEU 111 N 4.69 -1.33 -4.65 -1.96 4.77 0.84 -4.96 117.00 114.41 3h7t n LEU 111 Ca 0.22 0.36 -0.45 0.00 -0.03 0.00 0.00 56.01 56.11 3h7t n LEU 111 Cb 0.21 -2.46 -0.03 0.00 -2.33 0.00 0.00 43.42 38.81 3h7t n LEU 111 CO 0.71 -0.80 0.95 0.00 -1.33 0.00 0.00 177.39 176.92 3h7t n TYR 112 N -2.71 1.98 -3.72 -1.77 9.36 -0.54 -4.77 117.16 114.99 3h7t n TYR 112 Ca -0.18 0.49 -0.28 0.00 3.32 0.00 0.00 57.90 61.25 3h7t n TYR 112 Cb 0.58 -2.42 -0.16 0.00 -0.63 0.00 0.00 39.34 36.71 3h7t n TYR 112 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3h7t s ASP 113 N 0.20 2.97 0.34 2.98 2.15 -1.26 -4.18 116.67 119.88 3h7t s ASP 113 Ca 0.69 -0.88 -0.29 0.00 0.43 0.00 0.00 52.55 52.50 3h7t s ASP 113 Cb -0.69 -0.59 -0.12 0.00 -0.30 0.00 0.00 42.92 41.23 3h7t s ASP 113 CO 0.51 -0.32 1.47 -0.81 -0.17 0.00 0.00 175.17 175.84 3h7t n PRO 114 N 5.05 2.54 -2.56 4.34 -0.04 -1.26 -4.92 135.00 138.15 3h7t n PRO 114 Ca -0.08 0.89 -0.39 0.00 -0.04 0.00 0.00 63.50 63.88 3h7t n PRO 114 Cb 0.47 -2.60 -0.05 0.00 -0.04 0.00 0.00 33.50 31.28 3h7t n PRO 114 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3h7t s GLU 115 N -1.62 4.53 0.31 0.54 2.56 -1.26 -4.98 118.70 118.78 3h7t s GLU 115 Ca 0.57 1.63 -0.28 0.00 0.00 0.00 0.00 54.97 56.88 3h7t s GLU 115 Cb -0.51 -2.98 -0.13 0.00 2.00 0.00 0.00 34.13 32.51 3h7t s GLU 115 CO 0.59 0.17 1.17 -2.30 -0.56 0.00 0.00 175.26 174.33 3h7t n PRO 116 N 0.82 1.75 -0.67 4.30 -0.02 -1.26 -1.86 135.00 138.06 3h7t n PRO 116 Ca 0.01 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3h7t n PRO 116 Cb 0.47 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3h7t n PRO 116 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3h7t n ASP 117 N 1.11 0.00 -4.75 2.55 8.00 0.05 -4.97 116.55 118.55 3h7t n ASP 117 Ca 0.08 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.29 3h7t n ASP 117 Cb 0.34 -0.16 0.11 0.00 -0.02 0.00 0.00 41.12 41.38 3h7t n ASP 117 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3h7t s THR 118 N -3.49 2.02 0.04 -3.53 -4.23 -0.77 -4.78 115.64 100.90 3h7t s THR 118 Ca 0.00 -0.02 0.08 0.00 -1.18 0.00 0.00 61.69 60.57 3h7t s THR 118 Cb 0.00 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 3h7t s THR 118 CO 0.00 0.00 -0.21 -0.55 -0.54 0.00 0.00 174.62 173.32 3h7t s SER 119 N -4.64 3.56 -0.07 3.99 0.15 -1.26 -0.83 113.70 114.60 3h7t s SER 119 Ca 0.64 -0.49 0.05 0.00 0.70 0.00 0.00 55.95 56.85 3h7t s SER 119 Cb -0.10 -0.48 -0.01 0.00 -1.71 0.00 0.00 66.02 63.72 3h7t s SER 119 CO 0.49 0.25 -0.23 0.68 1.20 0.00 0.00 173.24 175.63 3h7t s VAL 120 N -0.89 1.96 -0.27 4.45 -7.23 -0.16 -4.79 120.40 113.47 3h7t s VAL 120 Ca 0.14 -1.00 -0.25 0.00 -1.81 0.00 0.00 61.98 59.06 3h7t s VAL 120 Cb -0.10 -1.67 -0.00 0.00 0.56 0.00 0.00 36.38 35.16 3h7t s VAL 120 CO 0.04 0.54 0.84 -0.22 -0.31 0.00 0.00 175.10 176.00 3h7t s LEU 121 N 0.04 4.07 -0.06 1.32 2.96 -0.15 -1.27 118.68 125.59 3h7t s LEU 121 Ca -0.09 0.93 0.05 0.00 -0.22 0.00 0.00 54.13 54.80 3h7t s LEU 121 Cb -0.15 -3.19 -0.02 0.00 0.50 0.00 0.00 46.19 43.33 3h7t s LEU 121 CO 0.05 -0.58 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.59 3h7t s VAL 122 N 2.96 2.39 0.01 1.68 1.01 -0.17 -0.78 120.40 127.50 3h7t s VAL 122 Ca 0.35 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3h7t s VAL 122 Cb -0.15 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 3h7t s VAL 122 CO 0.10 0.57 -0.02 -0.94 0.00 0.00 0.00 175.10 174.81 3h7t s SER 123 N -0.31 0.18 0.00 3.32 1.04 -1.22 -0.93 113.70 115.77 3h7t s SER 123 Ca 0.01 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.12 3h7t s SER 123 Cb -0.13 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.06 3h7t s SER 123 CO 0.02 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.66 3h7t n GLY 124 N 2.12 -1.35 0.47 7.32 0.00 -0.55 -4.14 105.19 109.05 3h7t n GLY 124 Ca -0.20 -0.96 0.09 0.00 0.00 0.00 0.00 46.02 44.94 3h7t n GLY 124 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3h7t n TRP 125 N 2.25 0.43 -0.62 1.61 8.01 -1.26 -1.39 117.44 126.47 3h7t n TRP 125 Ca 0.00 -1.00 -0.29 0.00 -1.31 0.00 0.00 57.50 54.90 3h7t n TRP 125 Cb 0.00 -0.24 0.25 0.00 -2.01 0.00 0.00 31.31 29.32 3h7t n TRP 125 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3h7t s GLY 126 N -2.51 1.51 0.65 6.99 0.00 -1.25 -0.00 107.32 112.71 3h7t s GLY 126 Ca 0.37 -0.41 -0.18 0.00 0.00 0.00 0.00 44.72 44.51 3h7t s GLY 126 CO 0.05 0.39 1.25 -1.35 0.00 0.00 0.00 173.10 173.44 3h7t s SER 127 N -2.88 4.67 0.00 1.64 1.04 0.47 -2.21 113.70 116.43 3h7t s SER 127 Ca 0.68 2.50 0.12 0.00 0.48 0.00 0.00 55.95 59.73 3h7t s SER 127 Cb -0.20 -2.61 0.22 0.00 0.10 0.00 0.00 66.02 63.53 3h7t s SER 127 CO 0.62 -1.96 1.09 0.35 0.98 0.00 0.00 173.24 174.32 3h7t n THR 128 N -2.01 0.51 -3.86 2.02 -2.24 -1.26 -1.43 114.28 106.02 3h7t n THR 128 Ca 0.15 -0.75 -0.12 0.00 -2.27 0.00 0.00 64.05 61.05 3h7t n THR 128 Cb 0.49 0.87 -0.13 0.00 -2.10 0.00 0.00 70.33 69.46 3h7t n THR 128 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3h7t s ASN 129 N -1.02 -0.04 0.48 3.42 3.84 -1.26 -4.46 114.94 115.91 3h7t s ASN 129 Ca 0.20 0.08 0.13 0.00 0.21 0.00 0.00 52.86 53.49 3h7t s ASN 129 Cb 0.12 0.11 1.14 0.00 -0.55 0.00 0.00 41.25 42.07 3h7t s ASN 129 CO 0.17 -0.04 2.11 -0.26 -2.79 0.00 0.00 177.10 176.29 3h7t h PHE 130 N 5.98 0.18 0.00 0.43 0.04 -2.00 -2.66 116.94 118.90 3h7t h PHE 130 Ca -0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.53 3h7t h PHE 130 Cb 1.21 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.30 3h7t h PHE 130 CO 0.42 0.11 0.00 0.87 -0.60 0.00 0.00 178.31 179.11 3h7t h LYS 131 N 0.19 0.00 -6.27 1.51 1.79 -2.02 -3.46 116.57 108.31 3h7t h LYS 131 Ca 0.06 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.85 3h7t h LYS 131 Cb 0.03 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 30.48 3h7t h LYS 131 CO -0.01 0.00 -0.73 0.45 -1.08 0.00 0.00 179.45 178.08 3h7t s SER 132 N -5.62 4.38 0.00 0.86 0.15 -1.00 -4.99 113.70 107.47 3h7t s SER 132 Ca 0.07 -0.14 0.23 0.00 0.70 0.00 0.00 55.95 56.81 3h7t s SER 132 Cb 0.08 -1.00 0.23 0.00 -1.71 0.00 0.00 66.02 63.62 3h7t s SER 132 CO 0.62 0.33 1.26 0.18 1.20 0.00 0.00 173.24 176.83 3h7t n LEU 133 N 2.04 3.02 -4.77 3.45 4.77 -1.26 -4.72 117.00 119.54 3h7t n LEU 133 Ca -0.17 -1.11 -0.39 0.00 -0.03 0.00 0.00 56.01 54.31 3h7t n LEU 133 Cb 0.53 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 3h7t n LEU 133 CO 0.27 0.54 0.75 -1.61 -1.33 0.00 0.00 177.39 176.01 3h7t s GLU 134 N -1.81 4.46 0.65 3.23 0.41 -1.26 -4.83 118.70 119.55 3h7t s GLU 134 Ca 0.29 1.63 -0.11 0.00 -0.41 0.00 0.00 54.97 56.37 3h7t s GLU 134 Cb 0.20 -2.91 -0.02 0.00 -1.78 0.00 0.00 34.13 29.61 3h7t s GLU 134 CO 0.29 0.10 1.05 0.71 -0.49 0.00 0.00 175.26 176.92 3h7t s TYR 135 N -1.39 3.50 0.09 1.61 2.02 -1.26 -3.92 117.35 118.00 3h7t s TYR 135 Ca 0.50 1.24 -0.25 0.00 -0.37 0.00 0.00 57.07 58.18 3h7t s TYR 135 Cb -0.27 -2.83 -0.06 0.00 -0.40 0.00 0.00 41.96 38.40 3h7t s TYR 135 CO 0.34 -0.88 0.78 0.45 -1.57 0.00 0.00 175.55 174.67 3h7t s SER 136 N -4.19 7.29 0.29 2.29 0.15 1.00 -4.86 113.70 115.67 3h7t s SER 136 Ca 0.56 1.53 0.07 0.00 0.70 0.00 0.00 55.95 58.82 3h7t s SER 136 Cb -0.11 -2.48 0.44 0.00 -1.71 0.00 0.00 66.02 62.16 3h7t s SER 136 CO 0.54 0.09 1.68 1.23 1.20 0.00 0.00 173.24 177.98 3h7t h GLY 137 N 5.15 0.22 -5.08 9.45 0.00 -1.93 -3.42 103.07 107.46 3h7t h GLY 137 Ca -0.45 -0.22 -0.64 0.00 0.00 0.00 0.00 47.33 46.02 3h7t h GLY 137 CO 0.69 0.20 -0.52 0.99 0.00 0.00 0.00 176.54 177.89 3h7t s ASP 138 N -6.88 6.14 0.12 0.19 1.01 -1.26 -1.68 116.67 114.31 3h7t s ASP 138 Ca -0.04 0.26 -0.31 0.00 0.71 0.00 0.00 52.55 53.17 3h7t s ASP 138 Cb 0.13 -1.87 -0.09 0.00 1.01 0.00 0.00 42.92 42.11 3h7t s ASP 138 CO 0.77 0.25 1.51 -0.22 0.21 0.00 0.00 175.17 177.69 3h7t s LEU 139 N -1.99 4.37 0.16 1.23 2.96 0.18 -4.70 118.68 120.88 3h7t s LEU 139 Ca 0.27 2.46 0.09 0.00 -0.22 0.00 0.00 54.13 56.74 3h7t s LEU 139 Cb -0.12 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 3h7t s LEU 139 CO 0.19 -0.77 -0.14 -0.04 -1.32 0.00 0.00 176.35 174.27 3h7t s MET 140 N 1.45 1.89 0.09 1.98 -1.94 -0.49 -0.27 119.30 122.02 3h7t s MET 140 Ca 0.68 -1.29 0.03 0.00 -1.71 0.00 0.00 55.69 53.41 3h7t s MET 140 Cb -0.40 -2.09 -0.04 0.00 2.01 0.00 0.00 34.83 34.31 3h7t s MET 140 CO 0.31 0.44 -0.09 -1.83 -0.01 0.00 0.00 175.02 173.84 3h7t s GLU 141 N -2.60 0.82 0.07 2.03 -1.05 0.25 -1.48 118.70 116.73 3h7t s GLU 141 Ca 0.22 -1.15 -0.22 0.00 -0.15 0.00 0.00 54.97 53.67 3h7t s GLU 141 Cb -0.09 -0.46 0.05 0.00 -0.44 0.00 0.00 34.13 33.19 3h7t s GLU 141 CO 0.13 0.06 0.53 0.00 0.95 0.00 0.00 175.26 176.93 3h7t s ALA 142 N -2.53 -1.36 -0.05 -0.84 0.00 -0.11 -0.22 121.76 116.65 3h7t s ALA 142 Ca 0.05 0.56 -0.17 0.00 0.00 0.00 0.00 51.96 52.40 3h7t s ALA 142 Cb -0.02 0.47 -0.05 0.00 0.00 0.00 0.00 23.12 23.52 3h7t s ALA 142 CO -0.01 -0.55 0.45 -0.80 0.00 0.00 0.00 175.76 174.85 3h7t s ASN 143 N -2.13 6.77 -0.11 0.00 0.01 -1.26 -1.00 114.94 117.22 3h7t s ASN 143 Ca -0.04 0.91 0.02 0.00 -0.71 0.00 0.00 52.86 53.04 3h7t s ASN 143 Cb -0.00 -2.28 -0.01 0.00 0.41 0.00 0.00 41.25 39.37 3h7t s ASN 143 CO -0.04 0.16 -0.19 -0.36 -1.51 0.00 0.00 177.10 175.17 3h7t s PHE 144 N -0.23 2.67 -0.19 2.20 0.08 -0.40 -4.59 117.98 117.53 3h7t s PHE 144 Ca 0.25 -0.79 -0.25 0.00 0.12 0.00 0.00 56.93 56.26 3h7t s PHE 144 Cb -0.16 -1.76 -0.01 0.00 -0.57 0.00 0.00 43.02 40.52 3h7t s PHE 144 CO 0.12 -0.28 0.82 0.99 -0.10 0.00 0.00 175.22 176.77 3h7t s THR 145 N 0.26 4.88 0.22 0.64 2.01 0.17 -0.99 115.64 122.83 3h7t s THR 145 Ca -0.13 1.58 -0.32 0.00 0.31 0.00 0.00 61.69 63.14 3h7t s THR 145 Cb -0.16 -4.12 -0.12 0.00 0.01 0.00 0.00 72.50 68.11 3h7t s THR 145 CO 0.07 0.01 1.69 -0.69 -0.69 0.00 0.00 174.62 175.00 3h7t s VAL 146 N 2.30 2.07 -0.08 3.82 1.01 -0.01 -1.36 120.40 128.15 3h7t s VAL 146 Ca 0.37 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.40 3h7t s VAL 146 Cb -0.16 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 3h7t s VAL 146 CO 0.11 0.00 -0.06 -0.69 0.00 0.00 0.00 175.10 174.47 3h7t s VAL 147 N 0.93 3.77 -0.08 2.92 1.01 0.11 -0.77 120.40 128.30 3h7t s VAL 147 Ca 0.72 -0.44 -0.38 0.00 0.00 0.00 0.00 61.98 61.88 3h7t s VAL 147 Cb -0.49 -2.56 -0.16 0.00 0.00 0.00 0.00 36.38 33.16 3h7t s VAL 147 CO 0.35 0.58 1.53 -0.67 0.00 0.00 0.00 175.10 176.89 3h7t n ASP 148 N 2.45 2.01 -0.23 3.32 2.03 -1.26 -4.15 116.55 120.72 3h7t n ASP 148 Ca -0.18 1.10 0.02 0.00 0.52 0.00 0.00 54.79 56.25 3h7t n ASP 148 Cb 0.53 -1.17 0.14 0.00 -0.72 0.00 0.00 41.12 39.90 3h7t n ASP 148 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3h7t h ARG 149 N 5.82 0.44 -0.44 -0.67 2.43 -1.96 0.14 114.38 120.13 3h7t h ARG 149 Ca -0.47 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 58.63 3h7t h ARG 149 Cb 1.33 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 3h7t h ARG 149 CO 0.86 0.29 0.13 -0.22 -1.51 0.00 0.00 179.97 179.52 3h7t h LYS 150 N 0.45 0.70 -0.91 0.20 1.63 -1.99 -0.07 116.57 116.57 3h7t h LYS 150 Ca 0.36 -0.16 0.02 0.00 -0.85 0.00 0.00 60.65 60.02 3h7t h LYS 150 Cb 0.48 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.96 3h7t h LYS 150 CO -0.34 0.68 0.59 1.03 -3.45 0.00 0.00 179.45 177.96 3h7t h SER 151 N 0.58 1.01 -0.33 4.20 0.87 -1.71 -2.27 113.55 115.91 3h7t h SER 151 Ca 0.14 -0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.52 3h7t h SER 151 Cb 0.28 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 3h7t h SER 151 CO -0.00 0.71 -0.42 0.00 -0.53 0.00 0.00 176.83 176.59 3h7t h GLU 153 N 0.66 1.01 0.00 0.00 4.81 -0.77 -1.03 114.58 119.27 3h7t h GLU 153 Ca 0.04 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3h7t h GLU 153 Cb 1.02 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 3h7t h GLU 153 CO 0.10 0.67 -0.24 1.05 -0.73 0.00 0.00 179.01 179.85 3h7t h GLU 154 N 1.04 0.00 0.03 1.92 4.11 -1.40 -0.41 114.58 119.87 3h7t h GLU 154 Ca 0.30 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.72 3h7t h GLU 154 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3h7t h GLU 154 CO -0.08 0.24 -0.02 1.96 0.07 0.00 0.00 179.01 181.19 3h7t h GLN 155 N 0.00 -0.05 -0.03 1.06 4.20 -1.13 -3.22 115.11 115.94 3h7t h GLN 155 Ca -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3h7t h GLN 155 Cb 0.73 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 3h7t h GLN 155 CO 0.03 0.24 -0.15 1.88 -0.67 0.00 0.00 178.83 180.16 3h7t h TYR 156 N -0.33 0.04 0.00 2.96 -1.99 -0.83 -2.84 116.97 113.98 3h7t h TYR 156 Ca -0.00 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 3h7t h TYR 156 Cb 0.31 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.02 3h7t h TYR 156 CO 0.02 0.19 -0.11 -0.22 -0.00 0.00 0.00 178.16 178.05 3h7t h LYS 157 N 0.04 0.00 -0.23 4.88 1.63 -1.09 0.21 116.57 122.01 3h7t h LYS 157 Ca 0.01 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.87 3h7t h LYS 157 Cb 0.30 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 3h7t h LYS 157 CO 0.02 0.11 0.25 1.96 -3.45 0.00 0.00 179.45 178.34 3h7t h GLN 158 N 0.00 0.00 0.00 1.90 4.20 -1.54 0.14 115.11 119.81 3h7t h GLN 158 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3h7t h GLN 158 Cb 0.21 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 3h7t h GLN 158 CO 0.01 0.00 -0.20 0.44 -0.67 0.00 0.00 178.83 178.41 3h7t n ILE 159 N -3.80 1.97 -3.00 2.54 -5.35 -1.02 -4.98 119.36 105.73 3h7t n ILE 159 Ca 0.03 -2.60 -0.22 0.00 -0.27 0.00 0.00 62.75 59.69 3h7t n ILE 159 Cb 0.38 -0.22 0.02 0.00 -1.74 0.00 0.00 39.64 38.08 3h7t n ILE 159 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3h7t n GLU 160 N -1.29 -4.07 -0.49 6.28 4.71 0.04 -4.90 120.64 120.92 3h7t n GLU 160 Ca 0.17 0.80 0.08 0.00 -0.01 0.00 0.00 57.16 58.20 3h7t n GLU 160 Cb 0.66 -5.59 0.28 0.00 -1.01 0.00 0.00 31.44 25.78 3h7t n GLU 160 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3h7t n ALA 161 N -3.31 3.05 0.30 0.62 0.00 0.03 -4.66 120.51 116.55 3h7t n ALA 161 Ca -0.11 -2.12 0.16 0.00 0.00 0.00 0.00 53.44 51.38 3h7t n ALA 161 Cb 0.61 -0.76 0.74 0.00 0.00 0.00 0.00 19.45 20.04 3h7t n ALA 161 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3h7t h ASP 162 N 2.24 0.00 -0.10 0.00 3.04 -1.82 -2.75 116.42 117.02 3h7t h ASP 162 Ca 0.00 0.00 0.03 0.00 -3.24 0.00 0.00 57.03 53.82 3h7t h ASP 162 Cb 1.46 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.74 3h7t h ASP 162 CO 0.24 0.00 0.21 0.07 -2.04 0.00 0.00 179.24 177.72 3h7t h LYS 163 N 0.00 0.00 0.00 4.15 2.10 -1.93 -1.78 116.57 119.10 3h7t h LYS 163 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3h7t h LYS 163 Cb 0.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 3h7t h LYS 163 CO 0.00 0.00 -0.14 1.88 -2.00 0.00 0.00 179.45 179.19 3h7t h TYR 164 N 0.00 0.00 -3.62 0.07 0.05 -1.66 -3.44 116.97 108.37 3h7t h TYR 164 Ca 0.05 0.00 -0.65 0.00 0.05 0.00 0.00 58.73 58.18 3h7t h TYR 164 Cb 0.46 0.00 -0.23 0.00 1.01 0.00 0.00 36.73 37.97 3h7t h TYR 164 CO 0.00 0.00 -0.63 0.42 -1.05 0.00 0.00 178.16 176.90 3h7t s ILE 165 N -3.15 4.23 0.37 -2.88 -1.09 -0.67 -4.93 121.20 113.08 3h7t s ILE 165 Ca 0.09 -0.24 -0.13 0.00 -2.23 0.00 0.00 60.65 58.14 3h7t s ILE 165 Cb 0.10 -3.00 0.05 0.00 -1.58 0.00 0.00 42.46 38.04 3h7t s ILE 165 CO 0.64 0.32 0.72 0.00 -1.23 0.00 0.00 174.94 175.39 3h7t n TYR 166 N 4.91 -2.21 0.29 3.97 0.18 -1.26 -5.00 117.16 118.04 3h7t n TYR 166 Ca -0.16 -1.83 0.18 0.00 1.88 0.00 0.00 57.90 57.96 3h7t n TYR 166 Cb 0.51 0.84 0.79 0.00 -0.38 0.00 0.00 39.34 41.10 3h7t n TYR 166 CO 0.00 0.00 0.00 -0.44 -2.08 0.00 0.00 176.86 174.34 3h7t h ASP 167 N 1.89 0.00 0.26 9.48 3.32 -2.00 -2.64 116.42 126.73 3h7t h ASP 167 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3h7t h ASP 167 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3h7t h ASP 167 CO 0.40 0.03 0.00 0.61 -1.72 0.00 0.00 179.24 178.56 3h7t n GLY 168 N -0.26 -1.06 3.32 2.75 0.00 -1.26 -4.79 105.19 103.89 3h7t n GLY 168 Ca -0.00 -0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 3h7t n GLY 168 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h7t s VAL 169 N -2.28 1.59 0.30 1.61 -7.23 -1.00 0.39 120.40 113.78 3h7t s VAL 169 Ca 0.35 -2.17 0.08 0.00 -1.81 0.00 0.00 61.98 58.43 3h7t s VAL 169 Cb 0.20 -1.99 -0.06 0.00 0.56 0.00 0.00 36.38 35.09 3h7t s VAL 169 CO 0.38 -0.64 -0.09 0.72 -0.31 0.00 0.00 175.10 175.17 3h7t s PHE 170 N -3.06 2.13 0.02 2.82 -0.12 0.50 -4.70 117.98 115.57 3h7t s PHE 170 Ca 0.21 -0.60 0.05 0.00 -0.05 0.00 0.00 56.93 56.55 3h7t s PHE 170 Cb 0.00 -1.19 -0.03 0.00 -0.63 0.00 0.00 43.02 41.17 3h7t s PHE 170 CO 0.05 0.42 -0.13 0.00 -0.05 0.00 0.00 175.22 175.51 3h7t s ALA 172 N -0.93 -0.98 0.12 0.00 0.00 -0.68 0.07 121.76 119.37 3h7t s ALA 172 Ca 0.15 1.14 0.11 0.00 0.00 0.00 0.00 51.96 53.36 3h7t s ALA 172 Cb -0.11 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 3h7t s ALA 172 CO 0.06 -0.19 -0.26 0.20 0.00 0.00 0.00 175.76 175.57 3h7t s GLY 173 N 0.30 1.58 0.00 0.00 0.00 -0.46 -0.58 107.32 108.17 3h7t s GLY 173 Ca -0.01 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.28 3h7t s GLY 173 CO -0.00 -1.41 0.00 0.61 0.00 0.00 0.00 173.10 172.30 3h7t n GLY 174 N 0.97 0.33 0.84 0.20 0.00 -1.07 0.44 105.19 106.91 3h7t n GLY 174 Ca -0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 46.02 45.80 3h7t n GLY 174 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h7t n GLU 175 N 0.00 0.02 0.00 1.61 1.02 -1.26 -4.50 120.64 117.53 3h7t n GLU 175 Ca 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3h7t n GLU 175 Cb 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 31.44 31.23 3h7t n GLU 175 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3h7t n GLU 178 N -2.71 0.00 -4.54 3.49 0.28 -1.26 -5.10 120.64 110.80 3h7t n GLU 178 Ca -0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.66 3h7t n GLU 178 Cb 0.02 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 32.73 3h7t n GLU 178 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 3h7t s THR 179 N -0.00 2.71 0.01 3.84 2.01 -1.26 -3.69 115.64 119.26 3h7t s THR 179 Ca 0.00 -0.76 -0.12 0.00 0.31 0.00 0.00 61.69 61.13 3h7t s THR 179 Cb 0.00 -2.14 0.01 0.00 0.01 0.00 0.00 72.50 70.38 3h7t s THR 179 CO 0.00 0.51 0.24 -0.31 -0.69 0.00 0.00 174.62 174.38 3h7t s TYR 180 N 0.78 -0.06 0.16 4.92 2.02 0.18 -2.58 117.35 122.77 3h7t s TYR 180 Ca -0.06 -0.01 -0.31 0.00 -0.37 0.00 0.00 57.07 56.32 3h7t s TYR 180 Cb -0.15 0.03 -0.09 0.00 -0.40 0.00 0.00 41.96 41.35 3h7t s TYR 180 CO 0.00 -0.40 1.44 0.42 -1.57 0.00 0.00 175.55 175.44 3h7t s ILE 181 N -1.89 3.00 0.35 2.71 -1.09 -1.26 0.02 121.20 123.04 3h7t s ILE 181 Ca -0.10 0.75 0.08 0.00 -2.23 0.00 0.00 60.65 59.14 3h7t s ILE 181 Cb -0.04 -3.48 -0.03 0.00 -1.58 0.00 0.00 42.46 37.33 3h7t s ILE 181 CO 0.00 0.07 0.26 -0.83 -1.23 0.00 0.00 174.94 173.22 3h7t s GLY 182 N 0.92 1.90 0.14 6.18 0.00 -1.26 -4.78 107.32 110.42 3h7t s GLY 182 Ca 0.64 -1.76 -0.32 0.00 0.00 0.00 0.00 44.72 43.29 3h7t s GLY 182 CO 0.33 -1.66 1.78 2.98 0.00 0.00 0.00 173.10 176.53 3h7t n TYR 183 N -1.34 2.61 0.00 1.90 9.36 -1.26 -1.23 117.16 127.20 3h7t n TYR 183 Ca -0.01 -0.04 0.00 0.00 3.32 0.00 0.00 57.90 61.16 3h7t n TYR 183 Cb 0.61 -2.69 0.00 0.00 -0.63 0.00 0.00 39.34 36.62 3h7t n TYR 183 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3h7t n GLY 184 N 4.08 0.27 0.65 2.98 0.00 -1.26 -0.39 105.19 111.51 3h7t n GLY 184 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 3h7t n GLY 184 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h7t n ASP 185 N 0.00 2.07 -4.76 1.61 8.00 -0.36 -3.89 116.55 119.22 3h7t n ASP 185 Ca 0.00 -1.65 -0.42 0.00 0.71 0.00 0.00 54.79 53.44 3h7t n ASP 185 Cb 0.00 0.04 -0.01 0.00 -0.02 0.00 0.00 41.12 41.13 3h7t n ASP 185 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h7t n ALA 186 N 0.56 2.33 0.00 2.24 0.00 -1.26 -2.06 120.51 122.31 3h7t n ALA 186 Ca 0.16 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3h7t n ALA 186 Cb 0.46 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.48 3h7t n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h7t n GLY 187 N 1.17 1.73 3.72 0.00 0.00 0.14 -1.28 105.19 110.67 3h7t n GLY 187 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3h7t n GLY 187 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h7t n ASP 188 N 0.00 3.18 -4.77 1.61 9.92 -0.87 -3.01 116.55 122.61 3h7t n ASP 188 Ca 0.00 1.18 -0.41 0.00 -0.53 0.00 0.00 54.79 55.04 3h7t n ASP 188 Cb 0.00 -1.52 -0.02 0.00 -0.64 0.00 0.00 41.12 38.94 3h7t n ASP 188 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3h7t s PRO 189 N -1.28 4.38 -0.20 -0.24 0.04 -1.26 -0.56 135.00 135.88 3h7t s PRO 189 Ca 0.60 2.18 -0.02 0.00 0.04 0.00 0.00 61.00 63.80 3h7t s PRO 189 Cb -0.56 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 30.90 3h7t s PRO 189 CO 0.57 -0.17 -0.11 0.00 0.04 0.00 0.00 177.00 177.33 3h7t s ALA 190 N -1.04 2.62 0.01 8.56 0.00 0.14 -3.45 121.76 128.59 3h7t s ALA 190 Ca 0.49 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 51.36 3h7t s ALA 190 Cb -0.39 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 3h7t s ALA 190 CO 0.51 -0.33 -0.18 0.08 0.00 0.00 0.00 175.76 175.84 3h7t s VAL 191 N 1.29 2.75 -0.06 0.00 1.01 0.04 -1.66 120.40 123.78 3h7t s VAL 191 Ca 0.04 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 3h7t s VAL 191 Cb -0.14 -2.11 0.03 0.00 0.00 0.00 0.00 36.38 34.16 3h7t s VAL 191 CO -0.06 0.45 -0.01 -1.10 0.00 0.00 0.00 175.10 174.38 3h7t s GLN 192 N -1.12 0.67 -1.25 2.72 -0.21 -0.74 -0.98 119.66 118.76 3h7t s GLN 192 Ca 0.13 0.04 -0.31 0.00 0.02 0.00 0.00 55.36 55.24 3h7t s GLN 192 Cb -0.10 -0.91 0.04 0.00 1.00 0.00 0.00 33.01 33.03 3h7t s GLN 192 CO 0.03 -0.23 0.62 0.09 -2.12 0.00 0.00 175.29 173.68 3h7t n ASN 193 N 4.77 -3.68 -0.17 5.90 5.03 -1.26 -1.88 115.26 123.96 3h7t n ASN 193 Ca -0.14 -1.29 -0.02 0.00 0.87 0.00 0.00 54.58 54.01 3h7t n ASN 193 Cb 0.50 -1.76 -0.01 0.00 -1.02 0.00 0.00 39.78 37.49 3h7t n ASN 193 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3h7t n GLY 194 N -2.12 0.39 3.37 7.41 0.00 -1.26 -4.99 105.19 107.99 3h7t n GLY 194 Ca -0.13 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 3h7t n GLY 194 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h7t s THR 195 N -1.55 2.28 -0.67 2.61 -4.23 -0.79 -3.44 115.64 109.86 3h7t s THR 195 Ca 0.00 -1.41 -0.26 0.00 -1.18 0.00 0.00 61.69 58.84 3h7t s THR 195 Cb 0.00 -1.92 0.04 0.00 1.34 0.00 0.00 72.50 71.96 3h7t s THR 195 CO 0.00 0.32 1.16 -0.22 -0.54 0.00 0.00 174.62 175.34 3h7t s LEU 196 N -1.41 3.57 0.04 4.79 2.96 0.22 -1.79 118.68 127.05 3h7t s LEU 196 Ca 0.13 -0.45 0.21 0.00 -0.22 0.00 0.00 54.13 53.80 3h7t s LEU 196 Cb -0.10 -2.67 -0.18 0.00 0.50 0.00 0.00 46.19 43.73 3h7t s LEU 196 CO 0.03 -1.63 0.68 1.33 -1.32 0.00 0.00 176.35 175.45 3h7t n VAL 197 N 6.32 0.58 -3.91 1.68 0.24 -0.66 -3.93 118.33 118.65 3h7t n VAL 197 Ca 0.02 -0.59 -0.10 0.00 -2.04 0.00 0.00 64.34 61.63 3h7t n VAL 197 Cb 0.48 -0.30 -0.09 0.00 -1.47 0.00 0.00 33.84 32.45 3h7t n VAL 197 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3h7t s GLY 198 N -4.63 0.14 -0.16 7.63 0.00 -0.85 -1.28 107.32 108.17 3h7t s GLY 198 Ca -0.05 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.21 3h7t s GLY 198 CO 0.84 -0.60 -0.10 0.14 0.00 0.00 0.00 173.10 173.39 3h7t s VAL 199 N -2.36 1.39 0.48 1.40 1.01 -0.95 -0.68 120.40 120.70 3h7t s VAL 199 Ca -0.07 -0.70 -0.24 0.00 0.00 0.00 0.00 61.98 60.97 3h7t s VAL 199 Cb -0.03 -1.44 -0.07 0.00 0.00 0.00 0.00 36.38 34.85 3h7t s VAL 199 CO -0.03 0.27 1.39 0.00 0.00 0.00 0.00 175.10 176.72 3h7t s ALA 200 N 1.53 3.08 0.37 5.51 0.00 0.27 -0.16 121.76 132.36 3h7t s ALA 200 Ca 0.02 1.39 0.08 0.00 0.00 0.00 0.00 51.96 53.45 3h7t s ALA 200 Cb -0.14 -3.57 -0.06 0.00 0.00 0.00 0.00 23.12 19.35 3h7t s ALA 200 CO -0.09 -1.22 0.02 -1.54 0.00 0.00 0.00 175.76 172.93 3h7t s SER 201 N -0.71 4.09 -0.15 0.00 1.04 -0.60 0.27 113.70 117.64 3h7t s SER 201 Ca 0.65 -1.11 -0.02 0.00 0.48 0.00 0.00 55.95 55.94 3h7t s SER 201 Cb -0.42 -0.47 0.05 0.00 0.10 0.00 0.00 66.02 65.28 3h7t s SER 201 CO 0.52 -0.33 0.02 -0.47 0.98 0.00 0.00 173.24 173.96 3h7t s TYR 202 N -2.59 0.98 -0.37 5.02 5.04 -1.26 -4.63 117.35 119.54 3h7t s TYR 202 Ca 0.36 -0.67 -0.11 0.00 -2.44 0.00 0.00 57.07 54.20 3h7t s TYR 202 Cb 0.03 -0.99 0.03 0.00 0.35 0.00 0.00 41.96 41.38 3h7t s TYR 202 CO 0.19 -0.53 0.21 0.42 -1.34 0.00 0.00 175.55 174.50 3h7t s ILE 203 N 1.87 4.60 0.31 3.14 1.01 -1.26 -5.03 121.20 125.84 3h7t s ILE 203 Ca 0.01 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.54 3h7t s ILE 203 Cb -0.15 -3.56 -0.12 0.00 0.01 0.00 0.00 42.46 38.63 3h7t s ILE 203 CO -0.07 -0.22 1.38 -1.20 0.00 0.00 0.00 174.94 174.83 3h7t n SER 204 N 5.00 2.99 -1.70 3.58 7.64 -1.26 -2.89 113.62 126.97 3h7t n SER 204 Ca -0.12 1.18 -0.17 0.00 1.01 0.00 0.00 58.87 60.77 3h7t n SER 204 Cb 0.46 -1.49 -0.04 0.00 -1.01 0.00 0.00 64.21 62.13 3h7t n SER 204 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3h7t n SER 205 N 1.33 -5.12 -4.75 6.43 2.88 -1.26 -4.99 113.62 108.14 3h7t n SER 205 Ca 0.07 0.18 -0.40 0.00 -1.33 0.00 0.00 58.87 57.39 3h7t n SER 205 Cb 0.35 -4.19 -0.05 0.00 -0.75 0.00 0.00 64.21 59.57 3h7t n SER 205 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 3h7t s MET 206 N -4.25 4.57 0.15 -1.46 1.00 -1.14 -5.01 119.30 113.16 3h7t s MET 206 Ca 0.00 1.18 -0.34 0.00 0.00 0.00 0.00 55.69 56.53 3h7t s MET 206 Cb 0.00 -3.33 -0.15 0.00 0.00 0.00 0.00 34.83 31.35 3h7t s MET 206 CO 0.00 0.38 1.39 -2.30 0.00 0.00 0.00 175.02 174.49 3h7t n PRO 207 N 2.35 1.61 0.24 2.03 -0.02 -1.26 -4.85 135.00 135.09 3h7t n PRO 207 Ca -0.03 0.58 0.09 0.00 -2.02 0.00 0.00 63.50 62.12 3h7t n PRO 207 Cb 0.49 -2.23 0.64 0.00 -0.02 0.00 0.00 33.50 32.38 3h7t n PRO 207 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3h7t h SER 208 N 4.70 0.01 0.76 2.55 0.02 -2.00 -2.20 113.55 117.39 3h7t h SER 208 Ca -0.46 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3h7t h SER 208 Cb 1.30 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 3h7t h SER 208 CO 0.79 0.01 0.00 1.05 -1.14 0.00 0.00 176.83 177.54 3h7t h GLU 209 N 0.01 0.00 -6.98 3.45 9.09 -2.02 -3.44 114.58 114.69 3h7t h GLU 209 Ca 0.02 0.00 -0.49 0.00 0.05 0.00 0.00 59.36 58.94 3h7t h GLU 209 Cb 0.06 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.19 3h7t h GLU 209 CO -0.00 0.00 0.43 -0.06 0.05 0.00 0.00 179.01 179.43 3h7t s PHE 210 N -3.40 3.13 0.52 2.06 0.08 -0.83 -5.00 117.98 114.55 3h7t s PHE 210 Ca 0.03 1.61 -0.22 0.00 0.12 0.00 0.00 56.93 58.47 3h7t s PHE 210 Cb 0.09 -3.19 -0.06 0.00 -0.57 0.00 0.00 43.02 39.29 3h7t s PHE 210 CO 0.42 -0.89 1.24 -2.30 -0.10 0.00 0.00 175.22 173.59 3h7t n PRO 211 N -0.27 1.57 -1.68 0.24 -0.02 -1.26 -4.95 135.00 128.62 3h7t n PRO 211 Ca 0.06 0.58 -0.31 0.00 -2.02 0.00 0.00 63.50 61.81 3h7t n PRO 211 Cb 0.49 -2.43 0.04 0.00 -0.02 0.00 0.00 33.50 31.59 3h7t n PRO 211 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3h7t s SER 212 N -0.89 5.52 -0.14 2.55 0.01 0.26 -4.78 113.70 116.23 3h7t s SER 212 Ca 0.70 1.48 -0.01 0.00 1.31 0.00 0.00 55.95 59.43 3h7t s SER 212 Cb -0.44 -2.38 -0.01 0.00 0.21 0.00 0.00 66.02 63.39 3h7t s SER 212 CO 0.51 -1.34 -0.12 -0.69 0.41 0.00 0.00 173.24 172.02 3h7t s VAL 213 N -3.13 3.14 -0.06 3.43 1.01 -1.26 -1.68 120.40 121.84 3h7t s VAL 213 Ca 0.58 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.96 3h7t s VAL 213 Cb -0.13 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.92 3h7t s VAL 213 CO 0.54 0.51 -0.16 -0.36 0.00 0.00 0.00 175.10 175.64 3h7t s PHE 214 N 0.48 1.74 0.09 5.22 0.08 -0.26 -1.55 117.98 123.77 3h7t s PHE 214 Ca -0.08 -0.61 -0.35 0.00 0.12 0.00 0.00 56.93 56.00 3h7t s PHE 214 Cb -0.16 -1.21 -0.15 0.00 -0.57 0.00 0.00 43.02 40.94 3h7t s PHE 214 CO 0.04 -0.26 1.51 -0.11 -0.10 0.00 0.00 175.22 176.30 3h7t n LEU 215 N 3.53 2.51 -4.51 -0.37 7.94 0.78 -0.37 117.00 126.51 3h7t n LEU 215 Ca -0.21 1.09 -0.42 0.00 -1.11 0.00 0.00 56.01 55.36 3h7t n LEU 215 Cb 0.52 -1.32 -0.03 0.00 0.53 0.00 0.00 43.42 43.13 3h7t n LEU 215 CO 0.26 -0.58 1.06 -0.60 -1.11 0.00 0.00 177.39 176.42 3h7t s ARG 216 N 1.07 3.29 0.30 1.96 3.52 0.16 -2.23 118.95 127.01 3h7t s ARG 216 Ca 0.83 -0.79 -0.02 0.00 -0.13 0.00 0.00 55.73 55.62 3h7t s ARG 216 Cb -0.81 -4.51 0.45 0.00 -1.56 0.00 0.00 34.95 28.53 3h7t s ARG 216 CO 0.44 -2.00 1.95 0.28 -0.81 0.00 0.00 175.30 175.16 3h7t h VAL 217 N 6.13 1.18 -1.05 7.11 2.07 -1.47 -1.15 116.25 129.06 3h7t h VAL 217 Ca -0.14 -0.38 0.27 0.00 0.82 0.00 0.00 66.70 67.27 3h7t h VAL 217 Cb 1.05 -0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 30.69 3h7t h VAL 217 CO 1.25 0.20 0.68 1.23 0.02 0.00 0.00 177.57 180.96 3h7t h GLY 218 N 1.12 1.09 2.00 2.17 0.00 -1.74 0.05 103.07 107.76 3h7t h GLY 218 Ca 0.33 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.44 3h7t h GLY 218 CO -0.09 -0.12 -0.19 -1.82 0.00 0.00 0.00 176.54 174.32 3h7t h TYR 219 N 0.35 0.00 -0.06 5.60 3.20 -1.42 0.24 116.97 124.88 3h7t h TYR 219 Ca 0.59 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.46 3h7t h TYR 219 Cb 1.57 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.84 3h7t h TYR 219 CO -0.00 0.19 0.00 0.66 -1.64 0.00 0.00 178.16 177.37 3h7t n TYR 220 N -3.62 0.08 -0.30 -3.82 4.01 -0.06 -4.74 117.16 108.70 3h7t n TYR 220 Ca -0.01 -0.50 0.08 0.00 -0.16 0.00 0.00 57.90 57.31 3h7t n TYR 220 Cb 0.32 -0.05 0.25 0.00 -0.31 0.00 0.00 39.34 39.55 3h7t n TYR 220 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3h7t h VAL 221 N 0.33 0.70 -1.00 -0.72 2.07 -1.44 0.15 116.25 116.35 3h7t h VAL 221 Ca 0.00 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.33 3h7t h VAL 221 Cb 0.54 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 3h7t h VAL 221 CO 0.00 0.11 0.66 0.25 0.02 0.00 0.00 177.57 178.61 3h7t h LEU 222 N 0.62 1.13 -0.19 2.57 5.85 -1.86 0.67 115.31 124.09 3h7t h LEU 222 Ca 0.49 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 59.07 3h7t h LEU 222 Cb 0.73 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3h7t h LEU 222 CO -0.38 0.80 -0.34 0.44 -0.34 0.00 0.00 178.44 178.62 3h7t h ASP 223 N 1.32 0.63 -0.47 1.25 3.32 -1.39 -1.29 116.42 119.78 3h7t h ASP 223 Ca 0.37 -0.54 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 3h7t h ASP 223 Cb -0.11 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 3h7t h ASP 223 CO -0.09 1.05 0.27 0.40 -1.72 0.00 0.00 179.24 179.14 3h7t h ILE 224 N 0.23 1.16 -0.58 0.35 2.04 -0.82 -0.09 117.51 119.81 3h7t h ILE 224 Ca 0.01 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.41 3h7t h ILE 224 Cb 0.93 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3h7t h ILE 224 CO 0.08 0.17 0.11 0.11 0.00 0.00 0.00 178.15 178.62 3h7t h LYS 225 N 0.63 0.95 -0.55 2.37 1.57 -0.89 -1.47 116.57 119.18 3h7t h LYS 225 Ca 0.17 -0.25 0.07 0.00 -1.87 0.00 0.00 60.65 58.77 3h7t h LYS 225 Cb 0.03 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.17 3h7t h LYS 225 CO -0.03 0.90 0.23 -0.44 -0.57 0.00 0.00 179.45 179.54 3h7t h ASP 226 N 0.85 0.27 -0.04 0.86 3.32 -0.92 -0.62 116.42 120.15 3h7t h ASP 226 Ca 0.18 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 3h7t h ASP 226 Cb 0.39 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 3h7t h ASP 226 CO 0.01 0.18 0.03 0.40 -1.72 0.00 0.00 179.24 178.13 3h7t h ILE 227 N 0.44 1.06 -0.52 0.35 2.04 -0.60 0.58 117.51 120.85 3h7t h ILE 227 Ca 0.26 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 3h7t h ILE 227 Cb 0.26 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3h7t h ILE 227 CO -0.24 0.05 0.18 0.40 0.00 0.00 0.00 178.15 178.54 3h7t h ILE 228 N 0.00 1.23 0.00 -0.67 2.04 -1.11 -2.02 117.51 116.98 3h7t h ILE 228 Ca 0.02 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3h7t h ILE 228 Cb 0.06 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3h7t h ILE 228 CO -0.00 0.28 0.00 -1.54 0.00 0.00 0.00 178.15 176.88 3h7t n SER 229 N -4.50 0.00 0.00 1.72 3.41 -0.25 -4.86 113.62 109.13 3h7t n SER 229 Ca 0.02 -0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 3h7t n SER 229 Cb 0.18 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3h7t n SER 229 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h7t n GLY 230 N 0.20 0.65 1.26 5.00 0.00 -0.76 -4.97 105.19 106.57 3h7t n GLY 230 Ca 0.13 -0.75 0.10 0.00 0.00 0.00 0.00 46.02 45.49 3h7t n GLY 230 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h7t n LYS 231 N -1.67 3.08 -4.29 1.61 5.02 0.16 -4.92 118.16 117.15 3h7t n LYS 231 Ca 0.00 -2.62 -0.19 0.00 -2.02 0.00 0.00 58.31 53.48 3h7t n LYS 231 Cb 0.24 -1.62 -0.15 0.00 -0.02 0.00 0.00 35.03 33.48 3h7t n LYS 231 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3h7t s VAL 232 N -1.34 0.63 0.05 -0.18 1.01 -1.25 -4.90 120.40 114.41 3h7t s VAL 232 Ca 0.44 -0.29 -0.25 0.00 0.00 0.00 0.00 61.98 61.89 3h7t s VAL 232 Cb 0.25 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 3h7t s VAL 232 CO 0.26 0.20 0.77 -1.59 0.00 0.00 0.00 175.10 174.74 3h7t s LYS 233 N 0.17 4.50 0.84 2.72 0.00 -1.26 -4.94 119.74 121.77 3h7t s LYS 233 Ca -0.02 1.07 -0.11 0.00 0.00 0.00 0.00 55.97 56.90 3h7t s LYS 233 Cb -0.07 -3.36 0.10 0.00 0.00 0.00 0.00 37.83 34.49 3h7t s LYS 233 CO 0.00 0.28 1.09 -1.25 0.00 0.00 0.00 175.35 175.48 3h7t s PRO 234 N -0.06 1.71 0.00 1.78 0.04 -1.26 -4.78 135.00 132.43 3h7t s PRO 234 Ca 0.39 0.76 0.12 0.00 0.04 0.00 0.00 61.00 62.31 3h7t s PRO 234 Cb -0.20 -1.87 0.74 0.00 0.04 0.00 0.00 34.50 33.21 3h7t s PRO 234 CO 0.23 -1.91 1.17 1.04 0.04 0.00 0.00 177.00 177.57