#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qt2 s SER 2 N 0.00 6.18 0.26 6.12 1.04 -1.26 -5.00 113.70 121.03 2qt2 s SER 2 Ca 0.00 1.33 -0.04 0.00 0.48 0.00 0.00 55.95 57.72 2qt2 s SER 2 Cb 0.00 -2.40 0.35 0.00 0.10 0.00 0.00 66.02 64.07 2qt2 s SER 2 CO 0.00 -0.86 1.91 0.50 0.98 0.00 0.00 173.24 175.76 2qt2 h LYS 3 N -0.27 1.22 -0.12 4.02 3.64 -1.92 -2.66 116.57 120.49 2qt2 h LYS 3 Ca -0.44 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 2qt2 h LYS 3 Cb 1.20 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 2qt2 h LYS 3 CO 0.62 0.81 -0.04 0.78 -2.27 0.00 0.00 179.45 179.35 2qt2 h GLY 4 N 1.26 0.18 0.75 5.01 0.00 -1.72 -2.46 103.07 106.08 2qt2 h GLY 4 Ca 0.40 -0.09 0.17 0.00 0.00 0.00 0.00 47.33 47.82 2qt2 h GLY 4 CO -0.13 0.08 0.46 -2.09 0.00 0.00 0.00 176.54 174.86 2qt2 h GLU 5 N 0.16 0.11 0.00 4.80 4.81 -1.59 -0.79 114.58 122.08 2qt2 h GLU 5 Ca 0.04 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2qt2 h GLU 5 Cb 0.18 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 2qt2 h GLU 5 CO 0.01 0.08 -0.04 0.93 -0.73 0.00 0.00 179.01 179.25 2qt2 h GLU 6 N 0.12 0.00 0.00 1.92 5.08 -1.59 -0.74 114.58 119.37 2qt2 h GLU 6 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2qt2 h GLU 6 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2qt2 h GLU 6 CO -0.04 0.04 0.00 1.28 -1.00 0.00 0.00 179.01 179.29 2qt2 n LEU 7 N -3.53 0.00 -0.25 1.33 4.77 -0.30 -3.67 117.00 115.35 2qt2 n LEU 7 Ca -0.02 0.40 0.06 0.00 -0.03 0.00 0.00 56.01 56.41 2qt2 n LEU 7 Cb 0.15 -0.40 0.11 0.00 -2.33 0.00 0.00 43.42 40.95 2qt2 n LEU 7 CO 0.26 -0.13 0.57 0.49 -1.33 0.00 0.00 177.39 177.26 2qt2 n PHE 8 N -1.40 0.21 0.53 -1.77 3.01 -0.28 -4.71 117.46 113.04 2qt2 n PHE 8 Ca 0.07 -0.73 0.13 0.00 1.01 0.00 0.00 57.45 57.93 2qt2 n PHE 8 Cb 0.20 -0.12 0.45 0.00 -0.01 0.00 0.00 39.48 39.99 2qt2 n PHE 8 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2qt2 n THR 9 N -0.68 0.69 -3.59 4.37 -2.24 -1.24 -4.17 114.28 107.42 2qt2 n THR 9 Ca 0.10 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2qt2 n THR 9 Cb 0.51 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 2qt2 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qt2 n GLY 10 N 0.74 5.55 3.70 3.38 0.00 -1.26 -4.80 105.19 112.49 2qt2 n GLY 10 Ca 0.04 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 2qt2 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qt2 s VAL 11 N -0.37 4.69 -0.11 1.61 1.01 -1.26 -4.48 120.40 121.50 2qt2 s VAL 11 Ca 0.00 1.94 0.03 0.00 0.00 0.00 0.00 61.98 63.95 2qt2 s VAL 11 Cb 0.00 -4.24 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 2qt2 s VAL 11 CO 0.00 0.10 -0.22 -0.69 0.00 0.00 0.00 175.10 174.29 2qt2 s VAL 12 N 1.40 2.28 0.47 2.92 1.01 -0.04 -4.95 120.40 123.48 2qt2 s VAL 12 Ca 0.52 -0.94 -0.22 0.00 0.00 0.00 0.00 61.98 61.34 2qt2 s VAL 12 Cb -0.22 -1.89 -0.08 0.00 0.00 0.00 0.00 36.38 34.19 2qt2 s VAL 12 CO 0.25 0.55 1.10 -2.16 0.00 0.00 0.00 175.10 174.84 2qt2 s PRO 13 N 0.33 3.77 -0.01 2.72 0.04 -1.26 -0.82 135.00 139.78 2qt2 s PRO 13 Ca -0.17 1.57 0.06 0.00 0.04 0.00 0.00 61.00 62.51 2qt2 s PRO 13 Cb -0.17 -2.27 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 2qt2 s PRO 13 CO 0.08 -0.49 -0.20 0.42 0.04 0.00 0.00 177.00 176.85 2qt2 s ILE 14 N -1.73 1.54 -0.05 0.56 1.01 0.21 -0.60 121.20 122.15 2qt2 s ILE 14 Ca 0.65 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 60.46 2qt2 s ILE 14 Cb -0.23 -1.29 0.02 0.00 0.01 0.00 0.00 42.46 40.97 2qt2 s ILE 14 CO 0.28 0.41 -0.08 -0.22 0.00 0.00 0.00 174.94 175.32 2qt2 s LEU 15 N -0.53 1.52 -0.07 2.97 2.96 -0.17 -1.97 118.68 123.39 2qt2 s LEU 15 Ca 0.07 -0.21 0.05 0.00 -0.22 0.00 0.00 54.13 53.82 2qt2 s LEU 15 Cb -0.08 -0.62 -0.01 0.00 0.50 0.00 0.00 46.19 45.98 2qt2 s LEU 15 CO -0.01 -0.00 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.10 2qt2 s VAL 16 N 0.71 2.23 -0.06 1.68 1.01 0.18 -1.05 120.40 125.10 2qt2 s VAL 16 Ca -0.12 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.87 2qt2 s VAL 16 Cb -0.14 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.43 2qt2 s VAL 16 CO 0.02 0.56 -0.03 -1.61 0.00 0.00 0.00 175.10 174.04 2qt2 s GLU 17 N -0.03 0.83 -0.04 2.72 0.41 -0.10 0.28 118.70 122.77 2qt2 s GLU 17 Ca -0.07 -0.05 0.03 0.00 -0.41 0.00 0.00 54.97 54.47 2qt2 s GLU 17 Cb -0.15 -0.96 0.00 0.00 -1.78 0.00 0.00 34.13 31.25 2qt2 s GLU 17 CO 0.05 -0.17 -0.14 -1.17 -0.49 0.00 0.00 175.26 173.34 2qt2 s LEU 18 N 1.35 1.82 -0.13 1.80 0.20 0.36 -0.22 118.68 123.85 2qt2 s LEU 18 Ca -0.04 -0.29 0.00 0.00 0.69 0.00 0.00 54.13 54.49 2qt2 s LEU 18 Cb -0.13 -0.81 -0.01 0.00 -0.43 0.00 0.00 46.19 44.81 2qt2 s LEU 18 CO -0.02 0.10 -0.15 -1.81 -0.29 0.00 0.00 176.35 174.18 2qt2 s ASP 19 N 0.21 3.82 0.14 3.68 1.01 -0.33 -0.64 116.67 124.57 2qt2 s ASP 19 Ca -0.06 -0.39 0.07 0.00 0.71 0.00 0.00 52.55 52.88 2qt2 s ASP 19 Cb -0.11 -1.58 -0.04 0.00 1.01 0.00 0.00 42.92 42.20 2qt2 s ASP 19 CO 0.02 0.14 -0.15 -0.83 0.21 0.00 0.00 175.17 174.56 2qt2 s GLY 20 N 0.47 1.21 -0.19 0.21 0.00 0.73 -0.62 107.32 109.13 2qt2 s GLY 20 Ca -0.11 -1.40 -0.04 0.00 0.00 0.00 0.00 44.72 43.18 2qt2 s GLY 20 CO 0.05 -1.46 0.20 -0.35 0.00 0.00 0.00 173.10 171.54 2qt2 s ASP 21 N -2.63 1.42 -0.23 1.64 -1.08 -0.27 -1.27 116.67 114.26 2qt2 s ASP 21 Ca 0.13 -0.21 0.01 0.00 -0.52 0.00 0.00 52.55 51.96 2qt2 s ASP 21 Cb -0.04 0.31 0.04 0.00 -1.46 0.00 0.00 42.92 41.76 2qt2 s ASP 21 CO 0.04 -0.32 -0.13 -0.69 0.52 0.00 0.00 175.17 174.59 2qt2 s VAL 22 N 2.30 2.27 -1.37 1.11 1.01 0.05 0.19 120.40 125.97 2qt2 s VAL 22 Ca 0.06 -1.28 -0.09 0.00 0.00 0.00 0.00 61.98 60.67 2qt2 s VAL 22 Cb -0.15 -2.17 0.06 0.00 0.00 0.00 0.00 36.38 34.12 2qt2 s VAL 22 CO -0.11 0.21 0.56 0.59 0.00 0.00 0.00 175.10 176.35 2qt2 n ASN 23 N 4.54 -4.28 0.00 3.32 4.13 0.18 -0.62 115.26 122.54 2qt2 n ASN 23 Ca -0.17 -0.42 0.00 0.00 1.68 0.00 0.00 54.58 55.68 2qt2 n ASN 23 Cb 0.46 -3.51 0.00 0.00 -1.54 0.00 0.00 39.78 35.19 2qt2 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qt2 n GLY 24 N -1.29 1.69 3.56 7.41 0.00 -1.26 -4.99 105.19 110.31 2qt2 n GLY 24 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2qt2 n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qt2 s HIS 25 N -2.84 2.85 0.13 1.61 3.76 0.21 -5.01 115.29 116.00 2qt2 s HIS 25 Ca 0.00 0.36 -0.09 0.00 -0.15 0.00 0.00 55.06 55.18 2qt2 s HIS 25 Cb 0.00 -4.11 -0.06 0.00 1.11 0.00 0.00 32.58 29.52 2qt2 s HIS 25 CO 0.00 -1.22 0.44 0.15 -0.85 0.00 0.00 174.74 173.26 2qt2 s LYS 26 N 4.00 3.76 0.13 1.40 1.02 -1.26 -0.77 119.74 128.03 2qt2 s LYS 26 Ca 0.38 0.17 -0.24 0.00 0.02 0.00 0.00 55.97 56.30 2qt2 s LYS 26 Cb -0.10 -2.89 0.07 0.00 -0.52 0.00 0.00 37.83 34.40 2qt2 s LYS 26 CO 0.26 0.48 0.67 -0.59 -0.92 0.00 0.00 175.35 175.25 2qt2 s PHE 27 N -1.55 -0.48 0.06 3.18 -0.71 -0.39 -4.95 117.98 113.14 2qt2 s PHE 27 Ca 0.38 0.27 0.04 0.00 -1.04 0.00 0.00 56.93 56.59 2qt2 s PHE 27 Cb -0.13 0.56 -0.03 0.00 -1.21 0.00 0.00 43.02 42.21 2qt2 s PHE 27 CO 0.20 -0.80 -0.11 -1.12 -1.34 0.00 0.00 175.22 172.05 2qt2 s SER 28 N -2.70 1.36 -0.02 1.98 0.01 -1.26 -0.19 113.70 112.86 2qt2 s SER 28 Ca 0.02 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 56.70 2qt2 s SER 28 Cb -0.01 -0.01 -0.00 0.00 0.21 0.00 0.00 66.02 66.20 2qt2 s SER 28 CO -0.11 -0.15 -0.12 -0.69 0.41 0.00 0.00 173.24 172.59 2qt2 s VAL 29 N -1.46 0.95 -0.05 3.43 1.01 0.18 -1.21 120.40 123.26 2qt2 s VAL 29 Ca -0.04 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.51 2qt2 s VAL 29 Cb -0.09 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 2qt2 s VAL 29 CO 0.01 0.28 -0.19 -0.94 0.00 0.00 0.00 175.10 174.26 2qt2 s SER 30 N -0.03 3.58 0.08 3.32 1.04 -0.13 -0.49 113.70 121.08 2qt2 s SER 30 Ca 0.00 -0.34 0.05 0.00 0.48 0.00 0.00 55.95 56.14 2qt2 s SER 30 Cb -0.07 -0.80 -0.03 0.00 0.10 0.00 0.00 66.02 65.22 2qt2 s SER 30 CO 0.00 0.30 -0.15 -0.83 0.98 0.00 0.00 173.24 173.55 2qt2 s GLY 31 N -0.47 0.93 0.02 7.32 0.00 0.14 -0.04 107.32 115.21 2qt2 s GLY 31 Ca 0.06 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.71 2qt2 s GLY 31 CO 0.01 -1.10 -0.03 -0.54 0.00 0.00 0.00 173.10 171.44 2qt2 s GLU 32 N -1.92 0.27 0.00 2.90 2.02 -0.69 -0.64 118.70 120.63 2qt2 s GLU 32 Ca 0.01 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.54 2qt2 s GLU 32 Cb -0.09 0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.14 2qt2 s GLU 32 CO 0.02 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.70 2qt2 n GLY 33 N 2.03 -0.67 3.39 -1.39 0.00 -0.83 -0.88 105.19 106.82 2qt2 n GLY 33 Ca -0.20 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 2qt2 n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2qt2 s GLU 34 N -1.18 1.18 0.04 1.61 -1.05 -0.45 -0.62 118.70 118.23 2qt2 s GLU 34 Ca 0.00 -0.83 0.05 0.00 -0.15 0.00 0.00 54.97 54.04 2qt2 s GLU 34 Cb 0.00 0.47 -0.02 0.00 -0.44 0.00 0.00 34.13 34.14 2qt2 s GLU 34 CO 0.00 -0.47 -0.14 0.20 0.95 0.00 0.00 175.26 175.80 2qt2 s GLY 35 N -2.85 0.79 -0.41 -3.83 0.00 0.00 -1.60 107.32 99.43 2qt2 s GLY 35 Ca 0.07 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 43.99 2qt2 s GLY 35 CO -0.07 -0.78 0.23 -0.35 0.00 0.00 0.00 173.10 172.13 2qt2 s ASP 36 N -1.08 3.35 0.51 1.64 3.68 0.48 -0.87 116.67 124.38 2qt2 s ASP 36 Ca 0.02 -2.48 0.20 0.00 2.13 0.00 0.00 52.55 52.42 2qt2 s ASP 36 Cb -0.08 -0.79 1.32 0.00 -1.45 0.00 0.00 42.92 41.93 2qt2 s ASP 36 CO 0.01 -0.28 2.10 0.00 0.13 0.00 0.00 175.17 177.14 2qt2 h ALA 37 N 6.80 1.68 -0.75 3.66 0.00 -1.73 -0.69 119.26 128.23 2qt2 h ALA 37 Ca 0.02 -0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.05 2qt2 h ALA 37 Cb 0.94 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2qt2 h ALA 37 CO 0.40 0.11 0.52 1.15 0.00 0.00 0.00 179.25 181.43 2qt2 h THR 38 N 0.00 0.67 -0.18 0.00 2.02 -1.87 -1.04 112.91 112.51 2qt2 h THR 38 Ca -0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2qt2 h THR 38 Cb 0.17 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 2qt2 h THR 38 CO 0.01 0.02 0.00 -1.22 0.37 0.00 0.00 175.52 174.70 2qt2 n TYR 39 N -4.38 0.23 -2.32 3.16 4.01 -0.33 -4.92 117.16 112.61 2qt2 n TYR 39 Ca 0.15 -0.26 -0.19 0.00 -0.16 0.00 0.00 57.90 57.44 2qt2 n TYR 39 Cb 0.73 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.73 2qt2 n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qt2 n GLY 40 N 0.52 -0.29 3.47 2.72 0.00 -0.40 -4.77 105.19 106.45 2qt2 n GLY 40 Ca 0.09 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2qt2 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qt2 s LYS 41 N -4.89 3.63 -0.05 1.61 2.20 -0.79 -0.77 119.74 120.68 2qt2 s LYS 41 Ca 0.00 -0.54 0.06 0.00 -0.36 0.00 0.00 55.97 55.13 2qt2 s LYS 41 Cb 0.00 -2.92 -0.01 0.00 -1.51 0.00 0.00 37.83 33.39 2qt2 s LYS 41 CO 0.00 0.19 -0.24 -0.51 -0.36 0.00 0.00 175.35 174.43 2qt2 s LEU 42 N 0.50 2.05 -0.15 5.43 1.43 0.32 -0.39 118.68 127.86 2qt2 s LEU 42 Ca -0.04 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 2qt2 s LEU 42 Cb -0.14 -1.31 0.04 0.00 0.03 0.00 0.00 46.19 44.81 2qt2 s LEU 42 CO 0.03 0.24 -0.04 0.42 0.23 0.00 0.00 176.35 177.23 2qt2 s THR 43 N -0.20 0.95 0.02 5.49 -4.23 -0.63 -1.11 115.64 115.93 2qt2 s THR 43 Ca -0.02 -0.46 -0.01 0.00 -1.18 0.00 0.00 61.69 60.02 2qt2 s THR 43 Cb -0.13 -1.12 -0.02 0.00 1.34 0.00 0.00 72.50 72.57 2qt2 s THR 43 CO 0.03 0.16 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.49 2qt2 s LEU 44 N 1.71 2.23 -0.11 4.79 1.43 -0.37 -1.34 118.68 127.02 2qt2 s LEU 44 Ca 0.02 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 2qt2 s LEU 44 Cb -0.15 0.15 0.01 0.00 0.03 0.00 0.00 46.19 46.24 2qt2 s LEU 44 CO -0.08 -0.35 -0.18 -0.75 0.23 0.00 0.00 176.35 175.23 2qt2 s LYS 45 N -1.78 2.55 -0.06 1.70 2.20 -0.06 -0.65 119.74 123.63 2qt2 s LYS 45 Ca -0.13 -0.69 0.01 0.00 -0.36 0.00 0.00 55.97 54.81 2qt2 s LYS 45 Cb -0.07 -2.08 -0.03 0.00 -1.51 0.00 0.00 37.83 34.14 2qt2 s LYS 45 CO -0.02 -0.00 -0.07 -0.06 -0.36 0.00 0.00 175.35 174.84 2qt2 s PHE 46 N 0.80 2.92 -0.05 4.03 0.40 0.11 -1.70 117.98 124.50 2qt2 s PHE 46 Ca -0.09 0.01 0.04 0.00 -0.60 0.00 0.00 56.93 56.29 2qt2 s PHE 46 Cb -0.16 -1.70 -0.00 0.00 0.51 0.00 0.00 43.02 41.67 2qt2 s PHE 46 CO 0.00 0.33 -0.16 0.42 0.70 0.00 0.00 175.22 176.51 2qt2 s ILE 47 N -0.82 1.39 -0.40 0.64 1.01 0.94 -0.56 121.20 123.40 2qt2 s ILE 47 Ca 0.13 -0.68 -0.27 0.00 0.00 0.00 0.00 60.65 59.82 2qt2 s ILE 47 Cb -0.11 -1.21 0.02 0.00 0.01 0.00 0.00 42.46 41.17 2qt2 s ILE 47 CO 0.02 0.41 1.02 0.00 0.00 0.00 0.00 174.94 176.38 2qt2 n THR 49 N 6.24 0.00 0.33 0.00 -2.24 -0.35 -3.62 114.28 114.64 2qt2 n THR 49 Ca 0.09 -0.15 0.07 0.00 -2.27 0.00 0.00 64.05 61.80 2qt2 n THR 49 Cb 0.48 0.15 0.10 0.00 -2.10 0.00 0.00 70.33 68.96 2qt2 n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qt2 n THR 50 N -0.37 0.31 0.00 4.28 -2.24 -1.25 -4.97 114.28 110.04 2qt2 n THR 50 Ca 0.19 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2qt2 n THR 50 Cb 0.28 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 2qt2 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qt2 n GLY 51 N 0.78 0.17 3.74 3.38 0.00 -1.24 -5.00 105.19 107.02 2qt2 n GLY 51 Ca 0.10 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 2qt2 n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qt2 s LYS 52 N 0.00 4.70 -0.06 1.61 2.47 -1.26 -4.43 119.74 122.77 2qt2 s LYS 52 Ca 0.00 1.40 -0.30 0.00 -1.56 0.00 0.00 55.97 55.51 2qt2 s LYS 52 Cb 0.00 -3.36 -0.03 0.00 -1.46 0.00 0.00 37.83 32.98 2qt2 s LYS 52 CO 0.00 0.28 1.16 -1.17 0.16 0.00 0.00 175.35 175.78 2qt2 s LEU 53 N -0.23 4.28 0.00 5.43 2.96 -1.26 -4.91 118.68 124.95 2qt2 s LEU 53 Ca 0.45 1.77 0.25 0.00 -0.22 0.00 0.00 54.13 56.38 2qt2 s LEU 53 Cb -0.23 -3.56 1.30 0.00 0.50 0.00 0.00 46.19 44.20 2qt2 s LEU 53 CO 0.29 -0.55 1.86 -0.81 -1.32 0.00 0.00 176.35 175.83 2qt2 n PRO 54 N 5.07 1.27 -4.34 0.98 -0.04 -1.26 -4.77 135.00 131.91 2qt2 n PRO 54 Ca 0.10 -0.40 -0.18 0.00 -0.04 0.00 0.00 63.50 62.99 2qt2 n PRO 54 Cb 0.47 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 2qt2 n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2qt2 s VAL 55 N -1.96 1.18 0.28 0.52 -7.23 -1.26 -4.53 120.40 107.40 2qt2 s VAL 55 Ca 0.38 -2.06 -0.29 0.00 -1.81 0.00 0.00 61.98 58.20 2qt2 s VAL 55 Cb 0.18 -2.31 -0.10 0.00 0.56 0.00 0.00 36.38 34.72 2qt2 s VAL 55 CO 0.30 -0.37 1.26 -2.84 -0.31 0.00 0.00 175.10 173.15 2qt2 s PRO 56 N -3.82 4.43 0.27 4.82 0.02 -1.26 -4.93 135.00 134.52 2qt2 s PRO 56 Ca 0.27 2.08 -0.01 0.00 0.02 0.00 0.00 61.00 63.37 2qt2 s PRO 56 Cb 0.05 -3.13 0.55 0.00 0.02 0.00 0.00 34.50 31.99 2qt2 s PRO 56 CO 0.08 -0.12 1.75 -1.49 -0.33 0.00 0.00 177.00 176.90 2qt2 h TRP 57 N 4.06 0.74 -0.46 6.54 4.06 -1.95 -0.52 115.95 128.42 2qt2 h TRP 57 Ca -0.47 0.04 0.12 0.00 2.06 0.00 0.00 58.89 60.63 2qt2 h TRP 57 Cb 1.22 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 29.16 2qt2 h TRP 57 CO 0.58 0.15 0.32 -1.35 -3.56 0.00 0.00 178.44 174.59 2qt2 h PRO 58 N 0.59 0.07 0.00 0.49 0.11 -1.88 0.23 132.00 131.60 2qt2 h PRO 58 Ca 0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 2qt2 h PRO 58 Cb 0.70 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2qt2 h PRO 58 CO -0.38 0.05 0.00 0.25 -0.21 0.00 0.00 178.00 177.70 2qt2 n THR 59 N -4.42 0.92 0.97 -1.15 -2.24 -0.20 -2.60 114.28 105.56 2qt2 n THR 59 Ca 0.08 0.23 0.11 0.00 -2.27 0.00 0.00 64.05 62.20 2qt2 n THR 59 Cb 0.49 -1.03 0.02 0.00 -2.10 0.00 0.00 70.33 67.70 2qt2 n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2qt2 n LEU 60 N -1.73 2.21 -0.10 3.22 4.77 0.07 -4.61 117.00 120.83 2qt2 n LEU 60 Ca 0.03 -0.81 -0.09 0.00 -0.03 0.00 0.00 56.01 55.11 2qt2 n LEU 60 Cb 0.20 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 2qt2 n LEU 60 CO 0.16 0.40 0.96 0.58 -1.33 0.00 0.00 177.39 178.16 2qt2 h VAL 61 N 2.88 1.13 0.00 4.08 2.07 -1.50 0.65 116.25 125.56 2qt2 h VAL 61 Ca 0.00 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 2qt2 h VAL 61 Cb 0.79 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2qt2 h VAL 61 CO 0.00 0.14 -0.28 0.71 0.02 0.00 0.00 177.57 178.15 2qt2 h THR 62 N 0.41 1.16 -0.01 2.57 1.35 -1.81 -2.81 112.91 113.77 2qt2 h THR 62 Ca 0.12 -0.98 -0.20 0.00 -0.55 0.00 0.00 66.41 64.79 2qt2 h THR 62 Cb 0.06 1.54 0.02 0.00 -1.73 0.00 0.00 68.15 68.03 2qt2 h THR 62 CO -0.02 0.28 -0.79 0.74 -0.25 0.00 0.00 175.52 175.48 2qt2 h THR 63 N 0.00 1.36 -0.17 6.82 2.02 -1.62 -3.47 112.91 117.85 2qt2 h THR 63 Ca -0.00 -2.14 -0.56 0.00 0.77 0.00 0.00 66.41 64.48 2qt2 h THR 63 Cb 0.51 2.48 0.02 0.00 -1.74 0.00 0.00 68.15 69.42 2qt2 h THR 63 CO 0.04 0.64 1.95 0.18 0.37 0.00 0.00 175.52 178.70 2qt2 n LEU 64 N -4.06 3.89 0.00 2.58 4.77 0.13 -5.04 117.00 119.28 2qt2 n LEU 64 Ca -0.11 -3.05 0.00 0.00 -0.03 0.00 0.00 56.01 52.83 2qt2 n LEU 64 Cb 0.76 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 2qt2 n LEU 64 CO 0.51 -0.74 0.00 1.33 -1.33 0.00 0.00 177.39 177.15 2qt2 n VAL 68 N 6.53 0.00 0.20 4.08 0.24 -1.26 -5.02 118.33 123.10 2qt2 n VAL 68 Ca 0.48 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.85 2qt2 n VAL 68 Cb 0.42 0.00 0.35 0.00 -1.47 0.00 0.00 33.84 33.14 2qt2 n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qt2 n GLN 69 N 0.00 0.09 0.18 7.34 6.02 -1.26 -1.23 117.38 128.51 2qt2 n GLN 69 Ca 0.00 0.50 0.12 0.00 -0.01 0.00 0.00 57.00 57.61 2qt2 n GLN 69 Cb 0.00 -1.73 0.63 0.00 1.02 0.00 0.00 30.24 30.16 2qt2 n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qt2 n PHE 71 N -2.32 0.21 -1.91 0.00 3.72 -0.37 -4.68 117.46 112.10 2qt2 n PHE 71 Ca -0.01 -0.10 -0.38 0.00 -0.05 0.00 0.00 57.45 56.90 2qt2 n PHE 71 Cb 0.05 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.61 2qt2 n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2qt2 s SER 72 N -1.52 5.60 -0.42 4.37 0.01 -0.76 -4.03 113.70 116.94 2qt2 s SER 72 Ca 0.31 2.66 -0.27 0.00 1.31 0.00 0.00 55.95 59.97 2qt2 s SER 72 Cb 0.17 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.79 2qt2 s SER 72 CO 0.25 -1.34 0.99 -0.60 0.41 0.00 0.00 173.24 172.95 2qt2 s ARG 73 N -2.78 3.73 -0.22 12.44 3.52 0.28 -4.76 118.95 131.16 2qt2 s ARG 73 Ca 0.68 0.47 -0.19 0.00 -0.13 0.00 0.00 55.73 56.56 2qt2 s ARG 73 Cb -0.38 -3.86 -0.03 0.00 -1.56 0.00 0.00 34.95 29.12 2qt2 s ARG 73 CO 0.45 -1.14 0.58 0.71 -0.81 0.00 0.00 175.30 175.09 2qt2 s TYR 74 N 3.82 3.34 0.51 5.12 1.51 -1.26 -0.28 117.35 130.10 2qt2 s TYR 74 Ca 0.41 0.81 -0.21 0.00 -1.01 0.00 0.00 57.07 57.07 2qt2 s TYR 74 Cb -0.10 -2.76 -0.08 0.00 -0.11 0.00 0.00 41.96 38.91 2qt2 s TYR 74 CO 0.24 -0.20 0.91 -2.30 -1.11 0.00 0.00 175.55 173.09 2qt2 n PRO 75 N 5.18 1.05 -0.31 -1.71 -0.02 -1.26 -4.73 135.00 133.20 2qt2 n PRO 75 Ca -0.03 0.39 0.10 0.00 -2.02 0.00 0.00 63.50 61.95 2qt2 n PRO 75 Cb 0.50 -2.03 0.27 0.00 -0.02 0.00 0.00 33.50 32.22 2qt2 n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2qt2 h ASP 76 N 0.94 0.49 0.46 2.55 3.58 -2.00 0.29 116.42 122.74 2qt2 h ASP 76 Ca -0.46 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.11 2qt2 h ASP 76 Cb 1.36 0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.46 2qt2 h ASP 76 CO 0.53 0.14 0.00 0.00 -2.88 0.00 0.00 179.24 177.03 2qt2 n HIS 77 N -4.92 0.26 -0.09 0.28 1.44 -1.26 -1.95 115.22 108.97 2qt2 n HIS 77 Ca 0.20 0.11 0.05 0.00 -2.01 0.00 0.00 57.72 56.07 2qt2 n HIS 77 Cb 0.54 -0.67 0.13 0.00 0.12 0.00 0.00 29.99 30.11 2qt2 n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 2qt2 n MET 78 N -1.74 2.58 0.12 -1.40 2.81 0.99 -4.75 117.12 115.74 2qt2 n MET 78 Ca 0.02 -1.89 0.12 0.00 -1.81 0.00 0.00 57.70 54.14 2qt2 n MET 78 Cb 0.15 -1.24 0.48 0.00 -0.71 0.00 0.00 33.22 31.90 2qt2 n MET 78 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2qt2 n LYS 79 N 0.44 0.18 0.00 0.03 5.02 -0.82 -0.65 118.16 122.36 2qt2 n LYS 79 Ca 0.10 0.41 0.11 0.00 -2.02 0.00 0.00 58.31 56.91 2qt2 n LYS 79 Cb 0.39 -1.84 0.68 0.00 -0.02 0.00 0.00 35.03 34.23 2qt2 n LYS 79 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2qt2 n GLN 80 N -2.18 0.83 -0.30 1.97 1.13 -1.26 -3.07 117.38 114.49 2qt2 n GLN 80 Ca 0.02 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.15 2qt2 n GLN 80 Cb 0.23 -1.43 0.20 0.00 0.11 0.00 0.00 30.24 29.35 2qt2 n GLN 80 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2qt2 n HIS 81 N -0.93 0.68 -3.23 1.08 8.25 0.17 -4.65 115.22 116.59 2qt2 n HIS 81 Ca 0.17 -0.67 -0.46 0.00 -0.26 0.00 0.00 57.72 56.50 2qt2 n HIS 81 Cb 0.08 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.01 2qt2 n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2qt2 s ASP 82 N -1.42 6.73 0.16 0.41 -1.08 -1.17 -4.53 116.67 115.76 2qt2 s ASP 82 Ca 0.32 -2.54 -0.16 0.00 -0.52 0.00 0.00 52.55 49.65 2qt2 s ASP 82 Cb 0.22 -2.26 0.02 0.00 -1.46 0.00 0.00 42.92 39.45 2qt2 s ASP 82 CO 0.12 -0.69 1.82 0.15 0.52 0.00 0.00 175.17 177.09 2qt2 h PHE 83 N 8.03 0.53 -0.31 -5.34 3.57 -1.91 -3.06 116.94 118.46 2qt2 h PHE 83 Ca 0.12 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2qt2 h PHE 83 Cb 1.04 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 2qt2 h PHE 83 CO 1.07 0.33 0.20 0.74 -2.23 0.00 0.00 178.31 178.42 2qt2 h PHE 84 N 0.57 0.39 -0.02 0.41 0.04 -1.89 -1.57 116.94 114.88 2qt2 h PHE 84 Ca 0.16 0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.82 2qt2 h PHE 84 Cb -0.06 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 2qt2 h PHE 84 CO -0.05 0.25 -0.53 0.87 -0.60 0.00 0.00 178.31 178.25 2qt2 h LYS 85 N 0.41 0.04 0.00 1.51 1.57 -1.84 -2.99 116.57 115.28 2qt2 h LYS 85 Ca 0.11 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2qt2 h LYS 85 Cb -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2qt2 h LYS 85 CO -0.02 0.57 -0.09 0.66 -0.57 0.00 0.00 179.45 179.99 2qt2 h SER 86 N 0.03 0.00 0.74 0.86 4.64 -1.20 -0.79 113.55 117.84 2qt2 h SER 86 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qt2 h SER 86 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2qt2 h SER 86 CO 0.07 0.09 -0.04 0.00 -0.87 0.00 0.00 176.83 176.08 2qt2 n ALA 87 N -2.23 2.51 -2.33 5.18 0.00 -0.87 -4.57 120.51 118.21 2qt2 n ALA 87 Ca -0.02 -0.15 -0.30 0.00 0.00 0.00 0.00 53.44 52.97 2qt2 n ALA 87 Cb 0.23 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.20 2qt2 n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2qt2 s MET 88 N -2.79 3.75 0.00 0.00 1.00 -0.30 -0.53 119.30 120.43 2qt2 s MET 88 Ca 0.21 0.29 0.27 0.00 0.00 0.00 0.00 55.69 56.46 2qt2 s MET 88 Cb 0.19 -2.52 0.85 0.00 0.00 0.00 0.00 34.83 33.35 2qt2 s MET 88 CO 0.51 0.12 1.63 -0.35 0.00 0.00 0.00 175.02 176.93 2qt2 n PRO 89 N -0.92 0.34 0.08 2.03 -0.04 -1.26 -4.12 135.00 131.11 2qt2 n PRO 89 Ca 0.01 -0.16 0.01 0.00 -0.04 0.00 0.00 63.50 63.32 2qt2 n PRO 89 Cb 0.54 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.86 2qt2 n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2qt2 h GLU 90 N 0.39 0.33 0.00 0.54 3.07 -1.91 -2.86 114.58 114.14 2qt2 h GLU 90 Ca 0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 2qt2 h GLU 90 Cb 0.47 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 2qt2 h GLU 90 CO 0.00 0.44 0.00 0.41 -1.40 0.00 0.00 179.01 178.46 2qt2 n GLY 91 N -0.86 -2.01 3.13 -3.84 0.00 0.31 -4.61 105.19 97.32 2qt2 n GLY 91 Ca -0.00 -2.12 -0.08 0.00 0.00 0.00 0.00 46.02 43.82 2qt2 n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2qt2 s TYR 92 N -0.29 0.30 -0.23 1.61 -0.85 -0.40 -0.21 117.35 117.28 2qt2 s TYR 92 Ca 0.00 -0.73 -0.07 0.00 -0.52 0.00 0.00 57.07 55.75 2qt2 s TYR 92 Cb 0.00 -0.20 -0.03 0.00 0.38 0.00 0.00 41.96 42.10 2qt2 s TYR 92 CO 0.00 -0.43 0.06 0.08 -1.52 0.00 0.00 175.55 173.74 2qt2 s VAL 93 N -3.47 4.37 -0.21 -3.49 1.01 0.81 -0.76 120.40 118.67 2qt2 s VAL 93 Ca 0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 2qt2 s VAL 93 Cb 0.04 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 2qt2 s VAL 93 CO -0.09 0.38 0.05 -1.58 0.00 0.00 0.00 175.10 173.86 2qt2 s GLN 94 N 1.26 3.80 -0.09 2.72 0.74 0.53 -1.18 119.66 127.45 2qt2 s GLN 94 Ca 0.05 -0.43 0.04 0.00 0.05 0.00 0.00 55.36 55.07 2qt2 s GLN 94 Cb -0.15 -3.21 -0.01 0.00 1.10 0.00 0.00 33.01 30.74 2qt2 s GLN 94 CO 0.03 0.08 -0.22 -1.21 -0.55 0.00 0.00 175.29 173.42 2qt2 s GLU 95 N 0.88 2.89 0.08 1.67 2.02 0.71 -0.10 118.70 126.85 2qt2 s GLU 95 Ca 0.03 -0.85 0.04 0.00 0.02 0.00 0.00 54.97 54.21 2qt2 s GLU 95 Cb -0.14 -2.30 -0.03 0.00 0.10 0.00 0.00 34.13 31.76 2qt2 s GLU 95 CO 0.02 0.28 -0.12 1.03 0.02 0.00 0.00 175.26 176.50 2qt2 s ARG 96 N 0.11 0.82 -0.15 1.61 0.52 -0.53 -0.70 118.95 120.63 2qt2 s ARG 96 Ca -0.11 -1.05 0.01 0.00 -0.52 0.00 0.00 55.73 54.06 2qt2 s ARG 96 Cb -0.16 -0.66 0.00 0.00 0.52 0.00 0.00 34.95 34.66 2qt2 s ARG 96 CO 0.06 0.13 -0.16 0.99 0.02 0.00 0.00 175.30 176.33 2qt2 s THR 97 N -1.85 2.55 -0.27 0.02 2.01 -0.24 -0.98 115.64 116.89 2qt2 s THR 97 Ca 0.01 -0.81 -0.02 0.00 0.31 0.00 0.00 61.69 61.19 2qt2 s THR 97 Cb -0.07 -2.07 0.03 0.00 0.01 0.00 0.00 72.50 70.41 2qt2 s THR 97 CO 0.01 0.52 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.79 2qt2 s ILE 98 N 0.82 2.91 -0.35 1.82 1.01 0.68 -1.31 121.20 126.78 2qt2 s ILE 98 Ca -0.05 -1.16 -0.09 0.00 0.00 0.00 0.00 60.65 59.35 2qt2 s ILE 98 Cb -0.15 -2.55 0.03 0.00 0.01 0.00 0.00 42.46 39.80 2qt2 s ILE 98 CO -0.01 0.09 0.15 -0.44 0.00 0.00 0.00 174.94 174.73 2qt2 s SER 99 N 1.30 5.49 -0.23 3.58 0.01 0.34 -0.65 113.70 123.55 2qt2 s SER 99 Ca -0.02 -1.03 -0.28 0.00 1.31 0.00 0.00 55.95 55.93 2qt2 s SER 99 Cb -0.18 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.11 2qt2 s SER 99 CO -0.03 -0.34 0.97 -0.36 0.41 0.00 0.00 173.24 173.88 2qt2 s PHE 100 N 1.48 3.34 0.23 2.43 0.40 -0.27 -0.77 117.98 124.82 2qt2 s PHE 100 Ca 0.00 1.37 -0.32 0.00 -0.60 0.00 0.00 56.93 57.38 2qt2 s PHE 100 Cb -0.19 -3.19 -0.13 0.00 0.51 0.00 0.00 43.02 40.02 2qt2 s PHE 100 CO 0.05 -0.44 1.59 1.17 0.70 0.00 0.00 175.22 178.29 2qt2 n LYS 101 N 6.12 2.48 -1.97 0.44 4.81 -0.12 -0.80 118.16 129.12 2qt2 n LYS 101 Ca 0.10 0.89 -0.20 0.00 -0.87 0.00 0.00 58.31 58.22 2qt2 n LYS 101 Cb 0.47 -2.66 -0.05 0.00 0.02 0.00 0.00 35.03 32.80 2qt2 n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2qt2 n ASP 102 N 2.94 -5.56 0.00 3.14 8.00 -1.26 -4.80 116.55 119.01 2qt2 n ASP 102 Ca 0.13 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.88 2qt2 n ASP 102 Cb 0.33 -4.71 0.00 0.00 -0.02 0.00 0.00 41.12 36.73 2qt2 n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2qt2 n ASP 103 N -1.52 0.00 -2.34 -2.24 -0.08 0.02 -4.93 116.55 105.46 2qt2 n ASP 103 Ca -0.22 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.01 2qt2 n ASP 103 Cb 0.67 0.00 0.03 0.00 2.34 0.00 0.00 41.12 44.16 2qt2 n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2qt2 n GLY 104 N 0.00 -0.94 3.08 0.27 0.00 -1.15 -4.59 105.19 101.86 2qt2 n GLY 104 Ca 0.00 -1.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.16 2qt2 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qt2 s ASN 105 N -1.82 1.06 -0.08 1.61 4.22 -0.56 -1.12 114.94 118.26 2qt2 s ASN 105 Ca 0.13 -0.53 -0.08 0.00 -2.14 0.00 0.00 52.86 50.24 2qt2 s ASN 105 Cb -0.00 0.00 -0.04 0.00 1.28 0.00 0.00 41.25 42.49 2qt2 s ASN 105 CO 0.09 -0.15 0.20 -0.31 -2.04 0.00 0.00 177.10 174.89 2qt2 s TYR 106 N -1.25 3.61 -0.11 1.54 2.02 0.18 -1.54 117.35 121.81 2qt2 s TYR 106 Ca -0.07 0.58 0.02 0.00 -0.37 0.00 0.00 57.07 57.23 2qt2 s TYR 106 Cb -0.09 -1.98 -0.01 0.00 -0.40 0.00 0.00 41.96 39.47 2qt2 s TYR 106 CO 0.01 0.70 -0.17 0.15 -1.57 0.00 0.00 175.55 174.67 2qt2 s LYS 107 N -1.23 3.17 0.06 -0.62 1.02 0.78 -0.23 119.74 122.69 2qt2 s LYS 107 Ca 0.19 -0.75 0.05 0.00 0.02 0.00 0.00 55.97 55.48 2qt2 s LYS 107 Cb -0.13 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 2qt2 s LYS 107 CO 0.08 0.25 -0.14 0.95 -0.92 0.00 0.00 175.35 175.57 2qt2 s THR 108 N 0.22 1.12 -0.06 2.17 -4.23 -0.15 -0.46 115.64 114.26 2qt2 s THR 108 Ca -0.11 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 2qt2 s THR 108 Cb -0.16 -1.05 0.02 0.00 1.34 0.00 0.00 72.50 72.65 2qt2 s THR 108 CO 0.06 -0.12 -0.03 -0.60 -0.54 0.00 0.00 174.62 173.39 2qt2 s ARG 109 N -1.47 0.79 -0.01 3.99 3.52 -0.22 -1.45 118.95 124.11 2qt2 s ARG 109 Ca -0.00 -0.04 0.04 0.00 -0.13 0.00 0.00 55.73 55.60 2qt2 s ARG 109 Cb -0.09 -0.94 -0.01 0.00 -1.56 0.00 0.00 34.95 32.35 2qt2 s ARG 109 CO 0.02 -0.18 -0.13 0.00 -0.81 0.00 0.00 175.30 174.20 2qt2 s ALA 110 N 1.37 1.12 -0.20 6.12 0.00 0.85 -0.63 121.76 130.39 2qt2 s ALA 110 Ca -0.04 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 51.32 2qt2 s ALA 110 Cb -0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 2qt2 s ALA 110 CO -0.03 0.27 -0.06 -1.21 0.00 0.00 0.00 175.76 174.73 2qt2 s GLU 111 N -0.29 3.40 -0.22 0.00 2.02 0.43 -0.35 118.70 123.70 2qt2 s GLU 111 Ca 0.05 -0.63 -0.02 0.00 0.02 0.00 0.00 54.97 54.39 2qt2 s GLU 111 Cb -0.05 -2.92 0.01 0.00 0.10 0.00 0.00 34.13 31.26 2qt2 s GLU 111 CO -0.00 -0.07 -0.09 0.08 0.02 0.00 0.00 175.26 175.19 2qt2 s VAL 112 N 1.14 2.87 0.16 2.63 1.01 0.06 -1.41 120.40 126.85 2qt2 s VAL 112 Ca 0.02 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 61.00 2qt2 s VAL 112 Cb -0.14 -2.32 0.06 0.00 0.00 0.00 0.00 36.38 33.97 2qt2 s VAL 112 CO -0.01 0.40 0.73 -1.59 0.00 0.00 0.00 175.10 174.63 2qt2 s LYS 113 N 1.39 1.30 0.22 2.72 -2.85 -0.42 -1.27 119.74 120.83 2qt2 s LYS 113 Ca 0.04 -0.59 -0.29 0.00 -1.00 0.00 0.00 55.97 54.13 2qt2 s LYS 113 Cb -0.14 0.53 -0.09 0.00 -2.06 0.00 0.00 37.83 36.07 2qt2 s LYS 113 CO -0.06 -0.58 0.91 -0.06 0.10 0.00 0.00 175.35 175.65 2qt2 s PHE 114 N -3.60 3.97 -0.33 1.78 0.08 -1.08 -0.67 117.98 118.13 2qt2 s PHE 114 Ca 0.06 1.87 0.03 0.00 0.12 0.00 0.00 56.93 59.00 2qt2 s PHE 114 Cb -0.02 -2.94 0.09 0.00 -0.57 0.00 0.00 43.02 39.58 2qt2 s PHE 114 CO -0.05 0.47 0.03 -1.21 -0.10 0.00 0.00 175.22 174.35 2qt2 s GLU 115 N -1.16 1.73 6.30 0.44 0.41 0.24 -4.93 118.70 121.74 2qt2 s GLU 115 Ca 0.40 -1.73 0.00 0.00 -0.41 0.00 0.00 54.97 53.23 2qt2 s GLU 115 Cb -0.25 -3.18 0.00 0.00 -1.78 0.00 0.00 34.13 28.92 2qt2 s GLU 115 CO 0.31 -0.86 0.00 0.41 -0.49 0.00 0.00 175.26 174.63 2qt2 n GLY 116 N 4.34 3.44 0.33 -1.39 0.00 -1.26 -1.81 105.19 108.85 2qt2 n GLY 116 Ca -0.01 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.10 2qt2 n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qt2 n ASP 117 N 4.46 1.06 -4.73 1.61 8.00 -1.26 -4.86 116.55 120.83 2qt2 n ASP 117 Ca 0.00 -1.28 -0.35 0.00 0.71 0.00 0.00 54.79 53.87 2qt2 n ASP 117 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 2qt2 n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2qt2 s THR 118 N -2.07 5.23 -0.20 -3.53 2.01 -0.75 -4.31 115.64 112.01 2qt2 s THR 118 Ca 0.39 0.12 -0.22 0.00 0.31 0.00 0.00 61.69 62.28 2qt2 s THR 118 Cb 0.21 -3.35 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 2qt2 s THR 118 CO 0.37 0.48 0.70 -0.22 -0.69 0.00 0.00 174.62 175.26 2qt2 s LEU 119 N 0.06 4.14 -0.09 4.42 1.98 0.24 -0.59 118.68 128.84 2qt2 s LEU 119 Ca 0.08 0.93 0.02 0.00 -2.89 0.00 0.00 54.13 52.27 2qt2 s LEU 119 Cb -0.12 -3.01 -0.02 0.00 0.66 0.00 0.00 46.19 43.71 2qt2 s LEU 119 CO -0.00 -0.34 -0.15 -0.69 -1.89 0.00 0.00 176.35 173.28 2qt2 s VAL 120 N 2.12 2.92 -0.28 1.68 1.01 0.15 -1.00 120.40 127.00 2qt2 s VAL 120 Ca 0.32 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.57 2qt2 s VAL 120 Cb -0.16 -2.17 0.06 0.00 0.00 0.00 0.00 36.38 34.11 2qt2 s VAL 120 CO 0.10 0.56 -0.05 0.21 0.00 0.00 0.00 175.10 175.92 2qt2 s ASN 121 N -0.18 4.63 -0.17 3.32 2.47 -0.22 -1.30 114.94 123.48 2qt2 s ASN 121 Ca -0.01 -1.46 -0.03 0.00 0.42 0.00 0.00 52.86 51.79 2qt2 s ASN 121 Cb -0.13 -1.61 -0.02 0.00 -1.45 0.00 0.00 41.25 38.03 2qt2 s ASN 121 CO 0.03 -0.24 -0.05 -0.13 -3.72 0.00 0.00 177.10 172.99 2qt2 s ARG 122 N 1.12 3.54 -0.02 0.43 0.52 -0.50 -0.92 118.95 123.13 2qt2 s ARG 122 Ca -0.06 -0.57 0.05 0.00 -0.52 0.00 0.00 55.73 54.63 2qt2 s ARG 122 Cb -0.20 -2.91 -0.01 0.00 0.52 0.00 0.00 34.95 32.35 2qt2 s ARG 122 CO -0.04 0.10 -0.16 0.42 0.02 0.00 0.00 175.30 175.64 2qt2 s ILE 123 N 0.72 1.27 -0.13 1.52 1.01 0.69 -0.43 121.20 125.85 2qt2 s ILE 123 Ca -0.02 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 2qt2 s ILE 123 Cb -0.15 -1.07 -0.02 0.00 0.01 0.00 0.00 42.46 41.24 2qt2 s ILE 123 CO 0.02 0.36 -0.10 -1.61 0.00 0.00 0.00 174.94 173.62 2qt2 s GLU 124 N -0.25 3.35 -0.07 2.79 2.02 0.20 -1.19 118.70 125.55 2qt2 s GLU 124 Ca 0.03 -0.62 0.04 0.00 0.02 0.00 0.00 54.97 54.44 2qt2 s GLU 124 Cb -0.07 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.46 2qt2 s GLU 124 CO 0.00 0.30 -0.18 -1.17 0.02 0.00 0.00 175.26 174.23 2qt2 s LEU 125 N 0.15 1.89 -0.11 1.80 0.20 0.21 -1.05 118.68 121.76 2qt2 s LEU 125 Ca -0.05 -0.41 0.01 0.00 0.69 0.00 0.00 54.13 54.37 2qt2 s LEU 125 Cb -0.14 -1.09 0.02 0.00 -0.43 0.00 0.00 46.19 44.54 2qt2 s LEU 125 CO 0.04 0.12 -0.13 -0.75 -0.29 0.00 0.00 176.35 175.34 2qt2 s LYS 126 N 0.31 2.03 -0.05 1.98 2.47 0.39 -1.11 119.74 125.76 2qt2 s LYS 126 Ca -0.12 -0.48 0.06 0.00 -1.56 0.00 0.00 55.97 53.87 2qt2 s LYS 126 Cb -0.15 -1.82 -0.01 0.00 -1.46 0.00 0.00 37.83 34.39 2qt2 s LYS 126 CO 0.05 -0.13 -0.24 0.20 0.16 0.00 0.00 175.35 175.39 2qt2 s GLY 127 N 1.20 1.33 0.11 5.54 0.00 0.13 -0.16 107.32 115.46 2qt2 s GLY 127 Ca -0.03 -1.05 -0.00 0.00 0.00 0.00 0.00 44.72 43.64 2qt2 s GLY 127 CO -0.04 -0.69 0.00 -0.26 0.00 0.00 0.00 173.10 172.11 2qt2 s ILE 128 N -0.28 0.32 -1.35 0.90 -4.36 -0.59 -0.64 121.20 115.20 2qt2 s ILE 128 Ca 0.00 -1.89 0.00 0.00 -0.26 0.00 0.00 60.65 58.50 2qt2 s ILE 128 Cb -0.13 -1.84 0.00 0.00 1.25 0.00 0.00 42.46 41.74 2qt2 s ILE 128 CO 0.03 -0.70 0.00 -0.67 0.24 0.00 0.00 174.94 173.84 2qt2 n ASP 129 N -0.05 -4.64 -4.83 4.36 2.03 -1.26 -1.49 116.55 110.67 2qt2 n ASP 129 Ca -0.09 0.04 -0.33 0.00 0.52 0.00 0.00 54.79 54.93 2qt2 n ASP 129 Cb 0.62 -3.73 -0.06 0.00 -0.72 0.00 0.00 41.12 37.23 2qt2 n ASP 129 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2qt2 s PHE 130 N -2.74 3.35 -0.11 -0.67 0.40 -1.26 -2.93 117.98 114.02 2qt2 s PHE 130 Ca 0.00 1.43 -0.30 0.00 -0.60 0.00 0.00 56.93 57.46 2qt2 s PHE 130 Cb 0.00 -2.71 -0.01 0.00 0.51 0.00 0.00 43.02 40.81 2qt2 s PHE 130 CO 0.00 -0.04 1.09 0.15 0.70 0.00 0.00 175.22 177.12 2qt2 s LYS 131 N -3.15 4.36 0.44 0.44 1.02 -1.26 -4.89 119.74 116.71 2qt2 s LYS 131 Ca 0.58 1.49 0.14 0.00 0.02 0.00 0.00 55.97 58.20 2qt2 s LYS 131 Cb -0.10 -3.58 0.99 0.00 -0.52 0.00 0.00 37.83 34.63 2qt2 s LYS 131 CO 0.16 -0.43 2.00 0.93 -0.92 0.00 0.00 175.35 177.08 2qt2 h GLU 132 N 7.34 0.05 -0.49 1.68 3.07 -1.96 -1.27 114.58 123.01 2qt2 h GLU 132 Ca -0.30 -0.01 -0.31 0.00 -0.50 0.00 0.00 59.36 58.25 2qt2 h GLU 132 Cb 1.13 -0.01 -0.20 0.00 -0.84 0.00 0.00 28.75 28.84 2qt2 h GLU 132 CO 0.89 0.20 -0.19 -3.47 -1.40 0.00 0.00 179.01 175.04 2qt2 n ASP 133 N -4.34 3.53 -2.55 1.42 4.64 -1.26 -3.14 116.55 114.85 2qt2 n ASP 133 Ca -0.02 -3.80 -0.08 0.00 -1.38 0.00 0.00 54.79 49.52 2qt2 n ASP 133 Cb 0.23 -0.60 0.05 0.00 -1.04 0.00 0.00 41.12 39.77 2qt2 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2qt2 n GLY 134 N -1.01 -1.52 0.25 0.27 0.00 -0.48 -4.64 105.19 98.07 2qt2 n GLY 134 Ca 0.38 -1.63 0.13 0.00 0.00 0.00 0.00 46.02 44.90 2qt2 n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2qt2 h ASN 135 N -0.67 0.00 0.00 1.61 2.35 -1.93 0.12 115.58 117.06 2qt2 h ASN 135 Ca -0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2qt2 h ASN 135 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 2qt2 h ASN 135 CO 0.08 0.14 -0.29 -0.38 -1.65 0.00 0.00 177.43 175.33 2qt2 n ILE 136 N -3.43 0.75 0.30 2.81 -0.00 -1.26 -1.01 119.36 117.51 2qt2 n ILE 136 Ca -0.01 0.35 0.17 0.00 -0.00 0.00 0.00 62.75 63.26 2qt2 n ILE 136 Cb 0.32 -1.97 0.70 0.00 -0.00 0.00 0.00 39.64 38.69 2qt2 n ILE 136 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2qt2 h LEU 137 N -0.52 0.00 -1.13 1.39 3.38 -1.73 -1.60 115.31 115.09 2qt2 h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qt2 h LEU 137 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2qt2 h LEU 137 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2qt2 n GLY 138 N -0.05 0.31 3.55 0.83 0.00 0.41 -4.84 105.19 105.40 2qt2 n GLY 138 Ca 0.01 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 2qt2 n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qt2 n HIS 139 N 0.35 -2.08 -0.52 1.61 8.25 -0.60 -4.90 115.22 117.32 2qt2 n HIS 139 Ca 0.16 0.60 0.07 0.00 -0.26 0.00 0.00 57.72 58.29 2qt2 n HIS 139 Cb 0.34 -3.71 0.22 0.00 1.12 0.00 0.00 29.99 27.95 2qt2 n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qt2 n LYS 140 N -3.90 2.99 -4.03 -0.41 5.02 -0.18 -4.98 118.16 112.67 2qt2 n LYS 140 Ca -0.10 -2.44 -0.36 0.00 -2.02 0.00 0.00 58.31 53.40 2qt2 n LYS 140 Cb 0.61 -1.55 -0.08 0.00 -0.02 0.00 0.00 35.03 33.99 2qt2 n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qt2 s LEU 141 N -1.75 4.07 0.64 -0.35 1.43 -1.25 -0.20 118.68 121.27 2qt2 s LEU 141 Ca 0.33 0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 53.58 2qt2 s LEU 141 Cb 0.22 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 2qt2 s LEU 141 CO 0.14 0.36 1.15 -1.61 0.23 0.00 0.00 176.35 176.63 2qt2 s GLU 142 N -0.74 2.77 -1.24 1.70 2.02 0.21 -4.84 118.70 118.59 2qt2 s GLU 142 Ca 0.13 1.59 -0.13 0.00 0.02 0.00 0.00 54.97 56.58 2qt2 s GLU 142 Cb -0.12 -1.93 0.16 0.00 0.10 0.00 0.00 34.13 32.35 2qt2 s GLU 142 CO 0.03 -1.31 1.56 0.98 0.02 0.00 0.00 175.26 176.53 2qt2 n TYR 143 N -2.15 4.53 -3.72 1.61 9.36 -1.26 -4.78 117.16 120.76 2qt2 n TYR 143 Ca 0.12 -3.21 -0.06 0.00 3.32 0.00 0.00 57.90 58.07 2qt2 n TYR 143 Cb 0.51 -2.18 0.02 0.00 -0.63 0.00 0.00 39.34 37.06 2qt2 n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2qt2 n ASN 144 N 5.47 -1.74 -3.63 2.98 0.23 -1.26 -4.88 115.26 112.43 2qt2 n ASN 144 Ca 0.38 -2.11 -0.05 0.00 -0.53 0.00 0.00 54.58 52.28 2qt2 n ASN 144 Cb 0.42 2.87 -0.06 0.00 -2.08 0.00 0.00 39.78 40.93 2qt2 n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2qt2 s TYR 145 N -3.13 -1.07 0.40 -2.53 5.04 -1.26 -4.85 117.35 109.95 2qt2 s TYR 145 Ca 0.15 2.04 -0.02 0.00 -2.44 0.00 0.00 57.07 56.80 2qt2 s TYR 145 Cb -0.03 0.64 -0.04 0.00 0.35 0.00 0.00 41.96 42.88 2qt2 s TYR 145 CO 0.08 -0.53 0.64 -0.80 -1.34 0.00 0.00 175.55 173.60 2qt2 s ASN 146 N 1.97 6.29 0.41 4.32 0.02 -1.26 -4.63 114.94 122.05 2qt2 s ASN 146 Ca -0.09 0.65 -0.25 0.00 -1.02 0.00 0.00 52.86 52.16 2qt2 s ASN 146 Cb -0.07 -2.12 -0.08 0.00 0.02 0.00 0.00 41.25 39.00 2qt2 s ASN 146 CO -0.19 -0.40 1.23 -0.55 0.02 0.00 0.00 177.10 177.21 2qt2 s SER 147 N -4.03 6.37 0.12 -1.22 0.15 -1.26 -4.70 113.70 109.13 2qt2 s SER 147 Ca 0.43 2.49 -0.07 0.00 0.70 0.00 0.00 55.95 59.50 2qt2 s SER 147 Cb -0.10 -2.62 -0.01 0.00 -1.71 0.00 0.00 66.02 61.57 2qt2 s SER 147 CO 0.39 -0.79 0.19 -1.00 1.20 0.00 0.00 173.24 173.23 2qt2 s HIS 148 N -1.35 0.36 -0.08 3.44 3.76 -0.54 -5.00 115.29 115.89 2qt2 s HIS 148 Ca 0.58 -0.77 -0.03 0.00 -0.15 0.00 0.00 55.06 54.68 2qt2 s HIS 148 Cb -0.34 -0.14 -0.04 0.00 1.11 0.00 0.00 32.58 33.17 2qt2 s HIS 148 CO 0.43 -0.59 0.05 -0.80 -0.85 0.00 0.00 174.74 172.98 2qt2 s ASN 149 N -2.93 5.59 -0.22 1.40 0.02 -1.26 -1.04 114.94 116.50 2qt2 s ASN 149 Ca 0.12 0.22 -0.05 0.00 -1.02 0.00 0.00 52.86 52.13 2qt2 s ASN 149 Cb 0.05 -1.64 -0.02 0.00 0.02 0.00 0.00 41.25 39.66 2qt2 s ASN 149 CO -0.05 0.37 -0.00 -0.69 0.02 0.00 0.00 177.10 176.74 2qt2 s VAL 150 N -0.98 3.77 -0.24 1.60 1.01 0.70 -4.74 120.40 121.53 2qt2 s VAL 150 Ca 0.15 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 2qt2 s VAL 150 Cb -0.12 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 2qt2 s VAL 150 CO 0.05 0.40 0.36 -0.31 0.00 0.00 0.00 175.10 175.60 2qt2 s TYR 151 N 1.38 3.30 -0.09 5.22 2.02 -1.24 -0.41 117.35 127.53 2qt2 s TYR 151 Ca 0.05 0.46 0.00 0.00 -0.37 0.00 0.00 57.07 57.21 2qt2 s TYR 151 Cb -0.15 -2.52 -0.03 0.00 -0.40 0.00 0.00 41.96 38.87 2qt2 s TYR 151 CO 0.00 -0.11 -0.07 0.42 -1.57 0.00 0.00 175.55 174.22 2qt2 s ILE 152 N 1.66 3.63 0.08 2.71 1.01 0.69 -2.92 121.20 128.06 2qt2 s ILE 152 Ca 0.16 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.34 2qt2 s ILE 152 Cb -0.15 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 2qt2 s ILE 152 CO 0.08 0.57 -0.08 0.28 0.00 0.00 0.00 174.94 175.80 2qt2 s THR 153 N -0.50 0.71 0.51 2.92 -1.32 -0.42 -2.20 115.64 115.34 2qt2 s THR 153 Ca 0.07 -1.51 -0.19 0.00 -1.21 0.00 0.00 61.69 58.86 2qt2 s THR 153 Cb -0.12 -1.17 -0.07 0.00 -1.51 0.00 0.00 72.50 69.63 2qt2 s THR 153 CO 0.02 -0.58 1.03 0.00 -2.21 0.00 0.00 174.62 172.88 2qt2 s ALA 154 N -2.37 2.88 -0.58 11.08 0.00 -1.24 -0.67 121.76 130.85 2qt2 s ALA 154 Ca 0.01 0.48 0.04 0.00 0.00 0.00 0.00 51.96 52.50 2qt2 s ALA 154 Cb -0.03 -3.22 0.16 0.00 0.00 0.00 0.00 23.12 20.02 2qt2 s ALA 154 CO -0.01 -0.38 0.39 0.34 0.00 0.00 0.00 175.76 176.09 2qt2 s ASP 155 N -2.33 3.95 0.29 0.00 -1.08 0.13 -4.70 116.67 112.93 2qt2 s ASP 155 Ca 0.65 -3.38 -0.01 0.00 -0.52 0.00 0.00 52.55 49.29 2qt2 s ASP 155 Cb -0.15 -1.32 0.43 0.00 -1.46 0.00 0.00 42.92 40.42 2qt2 s ASP 155 CO 0.25 -0.15 1.88 0.50 0.52 0.00 0.00 175.17 178.17 2qt2 h LYS 156 N 5.84 0.91 0.00 4.34 3.64 -1.96 -1.07 116.57 128.27 2qt2 h LYS 156 Ca 0.11 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2qt2 h LYS 156 Cb 0.83 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2qt2 h LYS 156 CO 0.61 0.73 -0.11 -0.56 -2.27 0.00 0.00 179.45 177.85 2qt2 h GLN 157 N 0.90 0.00 -0.47 1.90 -0.00 -1.93 0.87 115.11 116.39 2qt2 h GLN 157 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.87 2qt2 h GLN 157 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.61 2qt2 h GLN 157 CO -0.02 0.11 0.00 1.63 -0.00 0.00 0.00 178.83 180.54 2qt2 n LYS 158 N -3.69 2.51 -2.98 0.06 5.02 -0.51 -4.96 118.16 113.62 2qt2 n LYS 158 Ca -0.02 -2.27 -0.22 0.00 -2.02 0.00 0.00 58.31 53.77 2qt2 n LYS 158 Cb 0.22 -1.45 0.03 0.00 -0.02 0.00 0.00 35.03 33.81 2qt2 n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2qt2 n ASN 159 N 1.25 -5.95 0.00 4.39 5.15 0.30 -4.81 115.26 115.59 2qt2 n ASN 159 Ca 0.18 -0.26 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 2qt2 n ASN 159 Cb 0.54 -4.83 0.00 0.00 -0.53 0.00 0.00 39.78 34.97 2qt2 n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2qt2 n GLY 160 N -1.45 4.05 3.23 8.20 0.00 -0.67 -4.32 105.19 114.22 2qt2 n GLY 160 Ca -0.12 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 2qt2 n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qt2 s ILE 161 N -1.50 0.67 0.16 -0.61 -4.36 -0.57 0.19 121.20 115.18 2qt2 s ILE 161 Ca 0.00 -1.97 0.06 0.00 -0.26 0.00 0.00 60.65 58.48 2qt2 s ILE 161 Cb 0.00 -2.04 -0.04 0.00 1.25 0.00 0.00 42.46 41.63 2qt2 s ILE 161 CO 0.00 -0.55 -0.13 -0.54 0.24 0.00 0.00 174.94 173.96 2qt2 s LYS 162 N -3.90 1.16 0.03 0.37 1.02 0.16 -0.96 119.74 117.61 2qt2 s LYS 162 Ca 0.22 -1.45 -0.07 0.00 0.02 0.00 0.00 55.97 54.69 2qt2 s LYS 162 Cb 0.06 -0.92 -0.00 0.00 -0.52 0.00 0.00 37.83 36.44 2qt2 s LYS 162 CO 0.02 0.15 0.14 0.00 -0.92 0.00 0.00 175.35 174.75 2qt2 s ALA 163 N -2.81 -0.25 -0.03 5.17 0.00 -0.02 -1.30 121.76 122.52 2qt2 s ALA 163 Ca 0.17 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.80 2qt2 s ALA 163 Cb -0.01 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.35 2qt2 s ALA 163 CO 0.04 -0.30 -0.03 -0.80 0.00 0.00 0.00 175.76 174.67 2qt2 s ASN 164 N -1.91 0.66 0.11 0.00 0.01 -1.15 -0.59 114.94 112.07 2qt2 s ASN 164 Ca -0.08 -0.08 -0.25 0.00 -0.71 0.00 0.00 52.86 51.74 2qt2 s ASN 164 Cb -0.03 -0.29 0.08 0.00 0.41 0.00 0.00 41.25 41.41 2qt2 s ASN 164 CO -0.03 -0.05 0.80 0.72 -1.51 0.00 0.00 177.10 177.03 2qt2 s PHE 165 N 0.77 -0.34 -0.13 2.20 -0.12 -0.63 -3.70 117.98 116.02 2qt2 s PHE 165 Ca -0.09 0.12 0.00 0.00 -0.05 0.00 0.00 56.93 56.91 2qt2 s PHE 165 Cb -0.12 0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 42.84 2qt2 s PHE 165 CO -0.01 -0.77 -0.14 0.15 -0.05 0.00 0.00 175.22 174.41 2qt2 s LYS 166 N -3.43 3.36 -0.11 1.99 1.02 -1.26 -0.25 119.74 121.06 2qt2 s LYS 166 Ca 0.06 -0.70 -0.04 0.00 0.02 0.00 0.00 55.97 55.31 2qt2 s LYS 166 Cb -0.02 -2.62 -0.03 0.00 -0.52 0.00 0.00 37.83 34.64 2qt2 s LYS 166 CO -0.06 0.20 0.03 0.42 -0.92 0.00 0.00 175.35 175.01 2qt2 s ILE 167 N 0.38 4.53 -0.29 2.17 -1.09 -0.35 -4.91 121.20 121.65 2qt2 s ILE 167 Ca -0.11 -0.15 -0.01 0.00 -2.23 0.00 0.00 60.65 58.15 2qt2 s ILE 167 Cb -0.16 -2.95 0.05 0.00 -1.58 0.00 0.00 42.46 37.82 2qt2 s ILE 167 CO 0.06 0.58 -0.02 -0.13 -1.23 0.00 0.00 174.94 174.19 2qt2 s ARG 168 N -0.60 2.42 0.14 2.79 0.52 -1.26 -0.24 118.95 122.71 2qt2 s ARG 168 Ca 0.10 -1.27 -0.23 0.00 -0.52 0.00 0.00 55.73 53.82 2qt2 s ARG 168 Cb -0.12 -3.12 -0.08 0.00 0.52 0.00 0.00 34.95 32.16 2qt2 s ARG 168 CO 0.02 -0.60 0.71 -1.01 0.02 0.00 0.00 175.30 174.44 2qt2 s HIS 169 N 1.23 3.85 -0.03 -0.53 3.76 0.24 -4.66 115.29 119.15 2qt2 s HIS 169 Ca -0.06 1.50 -0.30 0.00 -0.15 0.00 0.00 55.06 56.05 2qt2 s HIS 169 Cb -0.20 -2.67 -0.03 0.00 1.11 0.00 0.00 32.58 30.80 2qt2 s HIS 169 CO -0.02 0.52 1.03 -0.80 -0.85 0.00 0.00 174.74 174.62 2qt2 s ASN 170 N -1.19 7.27 0.20 1.40 0.01 -1.26 -0.21 114.94 121.16 2qt2 s ASN 170 Ca 0.34 1.68 -0.13 0.00 -0.71 0.00 0.00 52.86 54.04 2qt2 s ASN 170 Cb -0.21 -2.57 -0.07 0.00 0.41 0.00 0.00 41.25 38.81 2qt2 s ASN 170 CO 0.23 -0.37 0.58 -0.63 -1.51 0.00 0.00 177.10 175.41 2qt2 s ILE 171 N 1.42 4.85 0.58 0.60 1.01 -0.11 -0.62 121.20 128.94 2qt2 s ILE 171 Ca 0.52 0.73 0.28 0.00 0.00 0.00 0.00 60.65 62.18 2qt2 s ILE 171 Cb -0.21 -3.68 0.34 0.00 0.01 0.00 0.00 42.46 38.92 2qt2 s ILE 171 CO 0.25 0.07 2.24 -0.33 0.00 0.00 0.00 174.94 177.17 2qt2 h GLU 172 N 3.02 0.00 0.00 2.79 5.08 -0.89 -0.51 114.58 124.07 2qt2 h GLU 172 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2qt2 h GLU 172 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2qt2 h GLU 172 CO 0.67 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.28 2qt2 n ASP 173 N -3.95 0.00 0.00 1.42 5.75 -1.26 -4.85 116.55 113.65 2qt2 n ASP 173 Ca -0.03 -1.20 0.00 0.00 -0.01 0.00 0.00 54.79 53.55 2qt2 n ASP 173 Cb 0.09 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 2qt2 n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qt2 n GLY 174 N 0.83 1.42 0.00 6.12 0.00 -0.20 -5.08 105.19 108.27 2qt2 n GLY 174 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2qt2 n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qt2 n SER 175 N 0.00 0.00 -4.04 1.61 2.88 -1.24 -4.81 113.62 108.01 2qt2 n SER 175 Ca 0.00 -0.84 -0.18 0.00 -1.33 0.00 0.00 58.87 56.51 2qt2 n SER 175 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 2qt2 n SER 175 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2qt2 s VAL 176 N -0.29 0.75 -0.38 2.46 -7.23 -1.26 -0.93 120.40 113.51 2qt2 s VAL 176 Ca 0.00 -0.50 -0.09 0.00 -1.81 0.00 0.00 61.98 59.58 2qt2 s VAL 176 Cb 0.00 -0.64 0.05 0.00 0.56 0.00 0.00 36.38 36.34 2qt2 s VAL 176 CO 0.00 0.14 0.19 -1.58 -0.31 0.00 0.00 175.10 173.54 2qt2 s GLN 177 N -0.41 2.68 0.23 4.82 2.00 0.71 -4.88 119.66 124.80 2qt2 s GLN 177 Ca 0.02 -1.24 -0.30 0.00 -2.00 0.00 0.00 55.36 51.84 2qt2 s GLN 177 Cb -0.04 -3.66 -0.09 0.00 0.80 0.00 0.00 33.01 30.02 2qt2 s GLN 177 CO -0.00 -0.78 0.99 -1.17 -0.50 0.00 0.00 175.29 173.83 2qt2 s LEU 178 N 1.46 4.60 -0.32 3.68 2.96 -1.26 -0.59 118.68 129.20 2qt2 s LEU 178 Ca 0.01 2.02 0.02 0.00 -0.22 0.00 0.00 54.13 55.96 2qt2 s LEU 178 Cb -0.21 -3.61 0.10 0.00 0.50 0.00 0.00 46.19 42.97 2qt2 s LEU 178 CO 0.04 0.04 0.07 0.00 -1.32 0.00 0.00 176.35 175.17 2qt2 s ALA 179 N -0.99 2.22 0.01 5.97 0.00 0.66 -0.95 121.76 128.69 2qt2 s ALA 179 Ca 0.43 -2.08 -0.30 0.00 0.00 0.00 0.00 51.96 50.01 2qt2 s ALA 179 Cb -0.27 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 2qt2 s ALA 179 CO 0.34 -1.65 1.15 -0.51 0.00 0.00 0.00 175.76 175.08 2qt2 s ASP 180 N 1.26 7.14 -0.12 0.00 1.01 0.05 -1.21 116.67 124.79 2qt2 s ASP 180 Ca 0.10 1.87 -0.00 0.00 0.71 0.00 0.00 52.55 55.23 2qt2 s ASP 180 Cb -0.18 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.16 2qt2 s ASP 180 CO -0.16 -0.45 -0.12 -1.00 0.21 0.00 0.00 175.17 173.64 2qt2 s HIS 181 N 1.36 2.82 -0.08 4.23 3.76 0.66 -0.50 115.29 127.54 2qt2 s HIS 181 Ca 0.56 -0.57 0.04 0.00 -0.15 0.00 0.00 55.06 54.94 2qt2 s HIS 181 Cb -0.26 -1.83 0.00 0.00 1.11 0.00 0.00 32.58 31.60 2qt2 s HIS 181 CO 0.27 -0.16 -0.20 -0.47 -0.85 0.00 0.00 174.74 173.33 2qt2 s TYR 182 N 0.24 2.12 0.01 1.40 5.04 -0.43 -1.61 117.35 124.12 2qt2 s TYR 182 Ca -0.08 -0.78 0.02 0.00 -2.44 0.00 0.00 57.07 53.78 2qt2 s TYR 182 Cb -0.15 -1.44 -0.01 0.00 0.35 0.00 0.00 41.96 40.71 2qt2 s TYR 182 CO 0.05 -0.31 -0.05 -2.00 -1.34 0.00 0.00 175.55 171.89 2qt2 s GLU 183 N 0.30 0.43 0.00 4.97 2.12 0.25 -1.08 118.70 125.69 2qt2 s GLU 183 Ca -0.13 -0.29 0.03 0.00 0.36 0.00 0.00 54.97 54.94 2qt2 s GLU 183 Cb -0.16 -0.37 -0.01 0.00 0.26 0.00 0.00 34.13 33.85 2qt2 s GLU 183 CO 0.06 0.09 -0.11 -0.65 -0.54 0.00 0.00 175.26 174.12 2qt2 s GLN 184 N -0.41 0.84 -0.04 4.30 -0.21 0.12 -0.84 119.66 123.42 2qt2 s GLN 184 Ca -0.01 -0.44 0.03 0.00 0.02 0.00 0.00 55.36 54.97 2qt2 s GLN 184 Cb -0.04 -0.80 0.00 0.00 1.00 0.00 0.00 33.01 33.17 2qt2 s GLN 184 CO -0.00 0.22 -0.12 -0.80 -2.12 0.00 0.00 175.29 172.46 2qt2 s ASN 185 N -0.42 1.64 -0.00 5.90 0.01 -0.14 -0.21 114.94 121.72 2qt2 s ASN 185 Ca 0.03 -0.26 0.02 0.00 -0.71 0.00 0.00 52.86 51.93 2qt2 s ASN 185 Cb -0.05 -0.53 -0.00 0.00 0.41 0.00 0.00 41.25 41.08 2qt2 s ASN 185 CO -0.00 0.08 -0.05 0.42 -1.51 0.00 0.00 177.10 176.04 2qt2 s THR 186 N 0.27 0.39 0.52 1.60 -4.23 -0.32 -1.51 115.64 112.37 2qt2 s THR 186 Ca -0.06 -0.25 -0.21 0.00 -1.18 0.00 0.00 61.69 59.99 2qt2 s THR 186 Cb -0.11 -0.34 -0.06 0.00 1.34 0.00 0.00 72.50 73.33 2qt2 s THR 186 CO 0.02 0.09 1.17 -2.84 -0.54 0.00 0.00 174.62 172.52 2qt2 s PRO 187 N -0.18 3.42 -0.03 3.99 0.02 -1.26 -0.13 135.00 140.83 2qt2 s PRO 187 Ca 0.01 1.76 -0.04 0.00 0.02 0.00 0.00 61.00 62.75 2qt2 s PRO 187 Cb -0.02 -2.16 -0.28 0.00 0.02 0.00 0.00 34.50 32.06 2qt2 s PRO 187 CO -0.00 -0.83 0.73 0.82 -0.33 0.00 0.00 177.00 177.40 2qt2 h ILE 188 N 1.41 1.01 -4.97 2.83 2.04 -0.87 -3.44 117.51 115.52 2qt2 h ILE 188 Ca -0.50 -2.66 -0.33 0.00 1.00 0.00 0.00 64.86 62.37 2qt2 h ILE 188 Cb 1.27 2.70 0.06 0.00 -0.74 0.00 0.00 36.82 40.10 2qt2 h ILE 188 CO 0.58 0.81 0.07 0.61 0.00 0.00 0.00 178.15 180.22 2qt2 n GLY 189 N 1.74 0.81 0.02 5.37 0.00 -1.26 -5.00 105.19 106.86 2qt2 n GLY 189 Ca -0.20 -2.03 0.11 0.00 0.00 0.00 0.00 46.02 43.90 2qt2 n GLY 189 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qt2 n ASP 190 N -2.89 0.66 -4.76 1.61 10.43 -1.26 -4.98 116.55 115.36 2qt2 n ASP 190 Ca 0.12 -0.40 -0.31 0.00 2.57 0.00 0.00 54.79 56.77 2qt2 n ASP 190 Cb 0.42 0.73 0.10 0.00 1.84 0.00 0.00 41.12 44.20 2qt2 n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 2qt2 s GLY 191 N -3.36 1.67 0.53 0.44 0.00 -1.26 -4.95 107.32 100.39 2qt2 s GLY 191 Ca 0.06 0.24 -0.21 0.00 0.00 0.00 0.00 44.72 44.81 2qt2 s GLY 191 CO 0.79 0.60 1.23 2.56 0.00 0.00 0.00 173.10 178.28 2qt2 s PRO 192 N -4.90 3.33 0.34 2.90 0.04 -1.26 -5.03 135.00 130.42 2qt2 s PRO 192 Ca 0.61 1.91 0.08 0.00 0.04 0.00 0.00 61.00 63.65 2qt2 s PRO 192 Cb -0.17 -2.21 -0.07 0.00 0.04 0.00 0.00 34.50 32.09 2qt2 s PRO 192 CO 0.56 -0.94 -0.05 0.14 0.04 0.00 0.00 177.00 176.75 2qt2 s VAL 193 N -1.50 1.99 -0.23 -0.36 -7.23 -1.26 -4.81 120.40 106.99 2qt2 s VAL 193 Ca 0.70 -2.13 -0.19 0.00 -1.81 0.00 0.00 61.98 58.56 2qt2 s VAL 193 Cb -0.32 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 33.89 2qt2 s VAL 193 CO 0.38 -0.16 0.54 -0.76 -0.31 0.00 0.00 175.10 174.78 2qt2 s LEU 194 N -3.59 4.10 -0.34 1.32 1.43 -1.26 -5.04 118.68 115.30 2qt2 s LEU 194 Ca 0.33 0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 53.94 2qt2 s LEU 194 Cb 0.05 -2.72 -0.01 0.00 0.03 0.00 0.00 46.19 43.54 2qt2 s LEU 194 CO 0.16 -0.25 0.22 -0.76 0.23 0.00 0.00 176.35 175.94 2qt2 s LEU 195 N 2.03 4.46 0.40 1.79 1.43 -1.26 -3.85 118.68 123.69 2qt2 s LEU 195 Ca 0.23 -0.53 -0.08 0.00 -1.03 0.00 0.00 54.13 52.72 2qt2 s LEU 195 Cb -0.16 -2.09 -0.06 0.00 0.03 0.00 0.00 46.19 43.92 2qt2 s LEU 195 CO 0.09 -0.25 0.74 -2.16 0.23 0.00 0.00 176.35 175.00 2qt2 s PRO 196 N 1.67 3.70 0.90 1.29 0.04 -1.26 -4.93 135.00 136.41 2qt2 s PRO 196 Ca 0.05 0.33 -0.11 0.00 0.04 0.00 0.00 61.00 61.31 2qt2 s PRO 196 Cb -0.18 -2.43 0.13 0.00 0.04 0.00 0.00 34.50 32.07 2qt2 s PRO 196 CO 0.09 -0.03 1.09 -0.51 0.04 0.00 0.00 177.00 177.68 2qt2 s ASP 197 N -3.37 3.40 0.32 6.66 1.01 -1.26 -3.74 116.67 119.69 2qt2 s ASP 197 Ca 0.49 1.55 -0.30 0.00 0.71 0.00 0.00 52.55 55.01 2qt2 s ASP 197 Cb -0.10 -2.22 -0.11 0.00 1.01 0.00 0.00 42.92 41.49 2qt2 s ASP 197 CO 0.34 -2.69 1.57 0.59 0.21 0.00 0.00 175.17 175.19 2qt2 n ASN 198 N -3.93 3.85 -2.06 0.27 4.13 -1.26 -4.83 115.26 111.44 2qt2 n ASN 198 Ca 0.07 1.17 -0.03 0.00 1.68 0.00 0.00 54.58 57.47 2qt2 n ASN 198 Cb 0.55 -1.60 0.01 0.00 -1.54 0.00 0.00 39.78 37.20 2qt2 n ASN 198 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qt2 n HIS 199 N 1.72 -1.42 -4.16 3.10 1.44 -0.94 -4.77 115.22 110.19 2qt2 n HIS 199 Ca 0.07 -0.86 -0.10 0.00 -2.01 0.00 0.00 57.72 54.82 2qt2 n HIS 199 Cb 0.37 0.43 -0.10 0.00 0.12 0.00 0.00 29.99 30.81 2qt2 n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 2qt2 s TYR 200 N -4.77 0.92 -0.16 -1.40 -0.85 -0.37 -0.22 117.35 110.49 2qt2 s TYR 200 Ca 0.10 -1.26 -0.05 0.00 -0.52 0.00 0.00 57.07 55.34 2qt2 s TYR 200 Cb -0.02 -0.50 -0.03 0.00 0.38 0.00 0.00 41.96 41.79 2qt2 s TYR 200 CO 0.05 -0.54 -0.01 -0.51 -1.52 0.00 0.00 175.55 173.02 2qt2 s LEU 201 N -3.07 3.41 -0.22 -3.49 1.43 0.45 -0.42 118.68 116.76 2qt2 s LEU 201 Ca 0.27 -0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.20 2qt2 s LEU 201 Cb 0.07 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 2qt2 s LEU 201 CO 0.04 0.17 0.13 -0.55 0.23 0.00 0.00 176.35 176.37 2qt2 s SER 202 N 0.38 6.00 -0.03 2.29 0.15 0.89 -0.21 113.70 123.16 2qt2 s SER 202 Ca -0.02 0.11 0.05 0.00 0.70 0.00 0.00 55.95 56.79 2qt2 s SER 202 Cb -0.14 -2.07 -0.01 0.00 -1.71 0.00 0.00 66.02 62.09 2qt2 s SER 202 CO 0.02 0.10 -0.20 -0.89 1.20 0.00 0.00 173.24 173.47 2qt2 s THR 203 N 0.85 1.61 -0.02 6.45 2.01 -0.20 -0.92 115.64 125.42 2qt2 s THR 203 Ca 0.07 -0.84 0.04 0.00 0.31 0.00 0.00 61.69 61.26 2qt2 s THR 203 Cb -0.13 -1.36 -0.01 0.00 0.01 0.00 0.00 72.50 71.02 2qt2 s THR 203 CO 0.03 0.46 -0.12 -1.10 -0.69 0.00 0.00 174.62 173.19 2qt2 s GLN 204 N -0.21 1.09 -0.02 4.92 1.11 -0.41 -1.47 119.66 124.66 2qt2 s GLN 204 Ca 0.01 -0.43 0.00 0.00 0.01 0.00 0.00 55.36 54.96 2qt2 s GLN 204 Cb -0.10 -1.02 0.02 0.00 -1.01 0.00 0.00 33.01 30.89 2qt2 s GLN 204 CO 0.01 0.23 0.00 -1.12 0.01 0.00 0.00 175.29 174.42 2qt2 s SER 205 N -0.13 0.26 -0.14 5.90 0.01 -1.26 -0.75 113.70 117.60 2qt2 s SER 205 Ca 0.02 -0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.29 2qt2 s SER 205 Cb -0.07 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.05 2qt2 s SER 205 CO 0.00 -0.07 -0.20 0.00 0.41 0.00 0.00 173.24 173.39 2qt2 s ALA 206 N 0.70 2.34 -0.11 1.44 0.00 0.44 -4.56 121.76 122.01 2qt2 s ALA 206 Ca -0.07 -1.04 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 2qt2 s ALA 206 Cb -0.10 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 2qt2 s ALA 206 CO -0.02 0.06 0.05 -0.51 0.00 0.00 0.00 175.76 175.34 2qt2 s LEU 207 N 0.68 3.84 0.00 0.00 1.43 -1.26 -1.38 118.68 121.98 2qt2 s LEU 207 Ca -0.09 0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 2qt2 s LEU 207 Cb -0.16 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.15 2qt2 s LEU 207 CO 0.02 0.35 0.39 -1.54 0.23 0.00 0.00 176.35 175.79 2qt2 n SER 208 N 2.35 -1.08 -4.31 2.29 3.41 0.50 -4.94 113.62 111.84 2qt2 n SER 208 Ca -0.19 -2.58 -0.24 0.00 -0.26 0.00 0.00 58.87 55.60 2qt2 n SER 208 Cb 0.54 2.04 -0.12 0.00 -0.26 0.00 0.00 64.21 66.40 2qt2 n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2qt2 s LYS 209 N -2.69 1.20 -0.30 4.33 -0.14 -1.26 -1.35 119.74 119.53 2qt2 s LYS 209 Ca 0.25 -1.24 -0.19 0.00 -1.36 0.00 0.00 55.97 53.43 2qt2 s LYS 209 Cb -0.01 -1.47 -0.01 0.00 -1.68 0.00 0.00 37.83 34.66 2qt2 s LYS 209 CO 0.18 0.34 0.55 0.34 -0.76 0.00 0.00 175.35 175.99 2qt2 s ASP 210 N -2.07 6.41 0.21 2.83 3.68 -1.26 -4.94 116.67 121.53 2qt2 s ASP 210 Ca 0.09 0.32 0.20 0.00 2.13 0.00 0.00 52.55 55.30 2qt2 s ASP 210 Cb -0.09 -2.29 0.89 0.00 -1.45 0.00 0.00 42.92 39.98 2qt2 s ASP 210 CO 0.05 -0.40 1.61 -0.81 0.13 0.00 0.00 175.17 175.75 2qt2 n PRO 211 N 5.71 0.14 -0.23 4.34 -0.04 -1.26 -1.50 135.00 142.15 2qt2 n PRO 211 Ca -0.03 0.44 0.09 0.00 -0.04 0.00 0.00 63.50 63.95 2qt2 n PRO 211 Cb 0.49 -1.80 0.22 0.00 -0.04 0.00 0.00 33.50 32.37 2qt2 n PRO 211 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2qt2 n ASN 212 N -2.07 3.32 -4.61 3.54 3.02 -1.26 -4.93 115.26 112.27 2qt2 n ASN 212 Ca 0.02 -1.96 -0.38 0.00 -0.03 0.00 0.00 54.58 52.23 2qt2 n ASN 212 Cb 0.17 -0.31 -0.10 0.00 -0.61 0.00 0.00 39.78 38.93 2qt2 n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2qt2 s GLU 213 N -1.08 4.02 0.16 3.52 2.56 -0.56 -4.96 118.70 122.35 2qt2 s GLU 213 Ca 0.34 -0.13 0.21 0.00 0.00 0.00 0.00 54.97 55.39 2qt2 s GLU 213 Cb 0.19 -3.63 -0.05 0.00 2.00 0.00 0.00 34.13 32.64 2qt2 s GLU 213 CO 0.25 -0.16 0.97 1.63 -0.56 0.00 0.00 175.26 177.38 2qt2 n LYS 214 N 4.98 0.61 -1.48 4.30 5.02 -1.26 -4.89 118.16 125.43 2qt2 n LYS 214 Ca -0.12 0.15 -0.31 0.00 -2.02 0.00 0.00 58.31 56.02 2qt2 n LYS 214 Cb 0.51 -1.82 0.07 0.00 -0.02 0.00 0.00 35.03 33.77 2qt2 n LYS 214 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2qt2 s ARG 215 N -3.22 2.65 0.04 1.97 0.52 -1.26 -4.96 118.95 114.69 2qt2 s ARG 215 Ca -0.01 1.10 -0.31 0.00 -0.52 0.00 0.00 55.73 55.99 2qt2 s ARG 215 Cb 0.09 -1.95 -0.07 0.00 0.52 0.00 0.00 34.95 33.55 2qt2 s ARG 215 CO 0.80 -1.33 1.48 0.34 0.02 0.00 0.00 175.30 176.60 2qt2 s ASP 216 N -3.45 6.77 0.28 0.23 -1.08 -1.26 -4.95 116.67 113.20 2qt2 s ASP 216 Ca 0.60 2.27 -0.20 0.00 -0.52 0.00 0.00 52.55 54.71 2qt2 s ASP 216 Cb -0.16 -2.57 0.02 0.00 -1.46 0.00 0.00 42.92 38.75 2qt2 s ASP 216 CO 0.53 -0.76 0.68 -1.38 0.52 0.00 0.00 175.17 174.76 2qt2 s HIS 217 N 2.22 -0.10 -0.03 -5.34 -3.43 -1.26 -0.74 115.29 106.60 2qt2 s HIS 217 Ca 0.67 -0.34 -0.01 0.00 -0.80 0.00 0.00 55.06 54.58 2qt2 s HIS 217 Cb -0.35 0.63 0.03 0.00 -1.43 0.00 0.00 32.58 31.46 2qt2 s HIS 217 CO 0.29 -1.21 0.06 1.41 -2.00 0.00 0.00 174.74 173.29 2qt2 s MET 218 N -3.92 -0.01 -0.18 -0.38 1.75 0.27 -4.95 119.30 111.88 2qt2 s MET 218 Ca 0.13 0.23 -0.09 0.00 -1.25 0.00 0.00 55.69 54.71 2qt2 s MET 218 Cb -0.05 -0.24 -0.05 0.00 2.84 0.00 0.00 34.83 37.33 2qt2 s MET 218 CO 0.07 -0.17 0.14 0.08 -0.65 0.00 0.00 175.02 174.49 2qt2 s VAL 219 N 1.11 5.43 -0.06 10.11 1.01 -0.45 0.06 120.40 137.62 2qt2 s VAL 219 Ca -0.09 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.11 2qt2 s VAL 219 Cb -0.13 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.82 2qt2 s VAL 219 CO -0.04 0.49 -0.06 -0.22 0.00 0.00 0.00 175.10 175.27 2qt2 s LEU 220 N -0.00 1.33 -0.19 3.92 2.96 0.17 -0.37 118.68 126.49 2qt2 s LEU 220 Ca 0.10 -0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 53.82 2qt2 s LEU 220 Cb -0.11 -0.57 0.00 0.00 0.50 0.00 0.00 46.19 46.01 2qt2 s LEU 220 CO -0.00 -0.05 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.63 2qt2 s LEU 221 N 1.02 2.53 0.01 -0.68 2.96 -0.48 -1.24 118.68 122.79 2qt2 s LEU 221 Ca -0.09 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.33 2qt2 s LEU 221 Cb -0.14 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 2qt2 s LEU 221 CO -0.00 0.01 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.30 2qt2 s GLU 222 N 1.26 0.30 -0.05 1.98 2.12 -0.27 -0.42 118.70 123.61 2qt2 s GLU 222 Ca 0.03 -0.29 0.05 0.00 0.36 0.00 0.00 54.97 55.12 2qt2 s GLU 222 Cb -0.14 -0.19 -0.00 0.00 0.26 0.00 0.00 34.13 34.05 2qt2 s GLU 222 CO -0.06 0.05 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.44 2qt2 s PHE 223 N -0.49 2.03 -0.07 5.30 0.40 0.07 -0.52 117.98 124.70 2qt2 s PHE 223 Ca -0.03 -0.62 0.01 0.00 -0.60 0.00 0.00 56.93 55.69 2qt2 s PHE 223 Cb -0.04 -1.35 0.02 0.00 0.51 0.00 0.00 43.02 42.16 2qt2 s PHE 223 CO -0.00 -0.21 -0.06 0.08 0.70 0.00 0.00 175.22 175.73 2qt2 s VAL 224 N 0.01 0.74 -0.03 -0.44 1.01 0.05 -1.29 120.40 120.45 2qt2 s VAL 224 Ca -0.05 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.75 2qt2 s VAL 224 Cb -0.13 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.50 2qt2 s VAL 224 CO 0.03 0.29 -0.07 -0.89 0.00 0.00 0.00 175.10 174.46 2qt2 s THR 225 N 1.16 0.68 0.45 3.92 2.01 -0.10 -0.55 115.64 123.20 2qt2 s THR 225 Ca -0.07 -0.27 -0.20 0.00 0.31 0.00 0.00 61.69 61.46 2qt2 s THR 225 Cb -0.14 -0.63 -0.10 0.00 0.01 0.00 0.00 72.50 71.64 2qt2 s THR 225 CO -0.01 0.23 0.96 0.00 -0.69 0.00 0.00 174.62 175.11 2qt2 s ALA 226 N 0.42 3.03 0.34 7.40 0.00 0.61 -0.08 121.76 133.47 2qt2 s ALA 226 Ca -0.06 0.39 -0.14 0.00 0.00 0.00 0.00 51.96 52.15 2qt2 s ALA 226 Cb -0.10 -3.15 0.03 0.00 0.00 0.00 0.00 23.12 19.89 2qt2 s ALA 226 CO 0.01 0.03 0.67 0.00 0.00 0.00 0.00 175.76 176.47 2qt2 s ALA 227 N -2.23 -0.49 0.00 0.00 0.00 0.44 -4.50 121.76 114.99 2qt2 s ALA 227 Ca 0.62 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.76 2qt2 s ALA 227 Cb -0.10 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.88 2qt2 s ALA 227 CO 0.16 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.39 2qt2 n GLY 228 N -0.50 0.52 0.03 0.00 0.00 -1.26 -1.24 105.19 102.73 2qt2 n GLY 228 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2qt2 n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71