#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oo6 s LYS 2 N 0.00 3.87 -0.02 3.23 1.02 -1.26 -0.82 119.74 125.75 2oo6 s LYS 2 Ca 0.00 1.75 -0.30 0.00 0.02 0.00 0.00 55.97 57.44 2oo6 s LYS 2 Cb 0.00 -2.48 -0.04 0.00 -0.52 0.00 0.00 37.83 34.79 2oo6 s LYS 2 CO 0.00 -0.45 1.25 0.08 -0.92 0.00 0.00 175.35 175.31 2oo6 s VAL 3 N -1.54 4.07 -0.16 3.17 1.01 0.30 -0.41 120.40 126.85 2oo6 s VAL 3 Ca 0.62 1.43 0.09 0.00 0.00 0.00 0.00 61.98 64.11 2oo6 s VAL 3 Cb -0.28 -3.92 -0.23 0.00 0.00 0.00 0.00 36.38 31.95 2oo6 s VAL 3 CO 0.34 0.02 0.21 0.52 0.00 0.00 0.00 175.10 176.19 2oo6 n VAL 4 N 4.52 1.54 -3.59 2.92 0.31 0.76 -0.61 118.33 124.17 2oo6 n VAL 4 Ca 0.11 -0.74 -0.14 0.00 -0.01 0.00 0.00 64.34 63.56 2oo6 n VAL 4 Cb 0.45 -1.05 -0.06 0.00 -0.91 0.00 0.00 33.84 32.28 2oo6 n VAL 4 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2oo6 s SER 5 N -6.15 -0.44 -0.14 4.52 1.04 -1.11 -4.86 113.70 106.56 2oo6 s SER 5 Ca -0.16 0.21 -0.02 0.00 0.48 0.00 0.00 55.95 56.45 2oo6 s SER 5 Cb 0.07 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.72 2oo6 s SER 5 CO 0.77 -0.69 0.01 -0.69 0.98 0.00 0.00 173.24 173.62 2oo6 s VAL 6 N -2.27 0.52 0.22 5.02 1.01 -1.26 -1.59 120.40 122.06 2oo6 s VAL 6 Ca -0.06 -0.30 0.10 0.00 0.00 0.00 0.00 61.98 61.71 2oo6 s VAL 6 Cb -0.01 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 2oo6 s VAL 6 CO -0.00 0.00 -0.18 -1.81 0.00 0.00 0.00 175.10 173.11 2oo6 s ASP 7 N 1.88 2.99 0.08 3.32 1.01 0.63 -4.94 116.67 121.64 2oo6 s ASP 7 Ca 0.02 -0.98 0.09 0.00 0.71 0.00 0.00 52.55 52.38 2oo6 s ASP 7 Cb -0.15 -0.20 -0.04 0.00 1.01 0.00 0.00 42.92 43.54 2oo6 s ASP 7 CO -0.07 -0.06 -0.20 0.42 0.21 0.00 0.00 175.17 175.48 2oo6 s THR 8 N -2.56 2.69 0.14 -1.27 -4.23 -1.26 -0.25 115.64 108.90 2oo6 s THR 8 Ca 0.24 -1.40 0.05 0.00 -1.18 0.00 0.00 61.69 59.39 2oo6 s THR 8 Cb -0.04 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 2oo6 s THR 8 CO 0.10 0.21 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.52 2oo6 s LEU 9 N -1.79 2.50 0.00 4.79 1.02 -0.21 -4.98 118.68 120.02 2oo6 s LEU 9 Ca 0.16 -0.96 -0.19 0.00 0.02 0.00 0.00 54.13 53.15 2oo6 s LEU 9 Cb -0.10 -0.39 0.04 0.00 0.02 0.00 0.00 46.19 45.75 2oo6 s LEU 9 CO 0.07 -0.29 0.41 0.00 0.02 0.00 0.00 176.35 176.56 2oo6 s ASP 12 N -2.94 6.54 -0.20 0.00 2.15 0.66 -0.61 116.67 122.26 2oo6 s ASP 12 Ca 0.13 2.74 0.16 0.00 0.43 0.00 0.00 52.55 56.02 2oo6 s ASP 12 Cb 0.04 -2.62 0.46 0.00 -0.30 0.00 0.00 42.92 40.50 2oo6 s ASP 12 CO -0.04 -0.81 1.17 0.00 -0.17 0.00 0.00 175.17 175.32 2oo6 n ALA 13 N 2.90 3.48 0.00 3.66 0.00 0.90 -4.67 120.51 126.77 2oo6 n ALA 13 Ca 0.10 -3.09 0.00 0.00 0.00 0.00 0.00 53.44 50.45 2oo6 n ALA 13 Cb 0.39 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.26 2oo6 n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oo6 n GLY 14 N -0.51 1.35 0.98 0.00 0.00 -1.26 -3.86 105.19 101.89 2oo6 n GLY 14 Ca 0.20 -0.41 0.10 0.00 0.00 0.00 0.00 46.02 45.91 2oo6 n GLY 14 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2oo6 n TRP 15 N 0.00 0.35 -3.91 1.61 2.14 -1.26 -4.97 117.44 111.40 2oo6 n TRP 15 Ca 0.00 -0.20 -0.08 0.00 2.07 0.00 0.00 57.50 59.29 2oo6 n TRP 15 Cb 0.00 -0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.47 2oo6 n TRP 15 CO 0.00 0.00 0.00 -0.98 2.07 0.00 0.00 177.69 178.78 2oo6 s ARG 16 N -1.44 1.72 0.21 -2.67 1.70 -1.25 -1.54 118.95 115.68 2oo6 s ARG 16 Ca 0.32 -1.10 0.07 0.00 -0.47 0.00 0.00 55.73 54.56 2oo6 s ARG 16 Cb 0.20 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 35.10 2oo6 s ARG 16 CO 0.28 -0.76 0.09 -0.80 -1.08 0.00 0.00 175.30 173.02 2oo6 s ASN 17 N -2.96 5.13 0.09 -2.89 0.01 -1.26 -0.07 114.94 112.99 2oo6 s ASN 17 Ca 0.15 -0.34 -0.06 0.00 -0.71 0.00 0.00 52.86 51.91 2oo6 s ASN 17 Cb -0.04 -1.20 -0.05 0.00 0.41 0.00 0.00 41.25 40.37 2oo6 s ASN 17 CO 0.08 0.03 0.34 -0.31 -1.51 0.00 0.00 177.10 175.73 2oo6 s TYR 18 N -1.98 3.52 0.10 2.20 2.02 0.21 -4.79 117.35 118.63 2oo6 s TYR 18 Ca 0.31 0.57 0.06 0.00 -0.37 0.00 0.00 57.07 57.65 2oo6 s TYR 18 Cb -0.08 -2.01 -0.03 0.00 -0.40 0.00 0.00 41.96 39.43 2oo6 s TYR 18 CO 0.22 0.50 -0.17 -1.01 -1.57 0.00 0.00 175.55 173.52 2oo6 s HIS 19 N -1.52 1.48 0.01 2.71 3.76 -1.07 -1.62 115.29 119.04 2oo6 s HIS 19 Ca 0.36 -0.47 0.00 0.00 -0.15 0.00 0.00 55.06 54.81 2oo6 s HIS 19 Cb -0.13 -0.80 -0.01 0.00 1.11 0.00 0.00 32.58 32.75 2oo6 s HIS 19 CO 0.22 0.14 -0.02 -0.06 -0.85 0.00 0.00 174.74 174.17 2oo6 s PHE 20 N -1.46 0.17 -0.16 1.40 0.08 0.24 -0.89 117.98 117.35 2oo6 s PHE 20 Ca 0.04 -0.29 -0.08 0.00 0.12 0.00 0.00 56.93 56.72 2oo6 s PHE 20 Cb -0.09 -0.12 -0.04 0.00 -0.57 0.00 0.00 43.02 42.20 2oo6 s PHE 20 CO 0.03 -0.10 0.10 0.08 -0.10 0.00 0.00 175.22 175.23 2oo6 s VAL 21 N -0.80 5.14 -0.16 -0.44 1.01 -0.70 -1.04 120.40 123.42 2oo6 s VAL 21 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2oo6 s VAL 21 Cb -0.06 -3.29 0.03 0.00 0.00 0.00 0.00 36.38 33.06 2oo6 s VAL 21 CO -0.01 0.51 -0.13 -0.75 0.00 0.00 0.00 175.10 174.73 2oo6 s LYS 22 N -0.15 2.23 -0.12 2.72 2.20 0.65 -1.47 119.74 125.81 2oo6 s LYS 22 Ca 0.09 -0.62 0.02 0.00 -0.36 0.00 0.00 55.97 55.10 2oo6 s LYS 22 Cb -0.12 -2.17 0.01 0.00 -1.51 0.00 0.00 37.83 34.05 2oo6 s LYS 22 CO 0.01 -0.28 -0.18 -1.17 -0.36 0.00 0.00 175.35 173.37 2oo6 s LEU 23 N 1.47 1.86 -0.05 5.43 0.20 0.04 -0.27 118.68 127.36 2oo6 s LEU 23 Ca 0.04 -0.49 0.05 0.00 0.69 0.00 0.00 54.13 54.42 2oo6 s LEU 23 Cb -0.14 -1.21 -0.02 0.00 -0.43 0.00 0.00 46.19 44.40 2oo6 s LEU 23 CO -0.10 0.05 -0.20 -0.89 -0.29 0.00 0.00 176.35 174.91 2oo6 s THR 24 N 0.88 2.53 0.39 3.68 2.01 -0.62 -0.62 115.64 123.89 2oo6 s THR 24 Ca -0.08 -0.91 0.08 0.00 0.31 0.00 0.00 61.69 61.09 2oo6 s THR 24 Cb -0.15 -1.95 0.00 0.00 0.01 0.00 0.00 72.50 70.41 2oo6 s THR 24 CO -0.01 0.58 0.52 0.42 -0.69 0.00 0.00 174.62 175.44 2oo6 s THR 25 N -0.46 3.28 0.57 -0.82 -4.23 -0.28 -0.17 115.64 113.52 2oo6 s THR 25 Ca 0.05 -1.04 0.30 0.00 -1.18 0.00 0.00 61.69 59.82 2oo6 s THR 25 Cb -0.12 -3.12 0.35 0.00 1.34 0.00 0.00 72.50 70.96 2oo6 s THR 25 CO 0.01 -0.05 2.24 -0.78 -0.54 0.00 0.00 174.62 175.50 2oo6 h ASP 26 N 0.76 0.00 0.38 3.99 3.58 -1.04 -0.20 116.42 123.90 2oo6 h ASP 26 Ca -0.42 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.03 2oo6 h ASP 26 Cb 1.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.32 2oo6 h ASP 26 CO 0.49 0.02 0.00 -0.62 -2.88 0.00 0.00 179.24 176.24 2oo6 n GLU 27 N -3.78 0.59 -0.82 0.28 1.02 -1.26 -4.92 120.64 111.75 2oo6 n GLU 27 Ca -0.03 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2oo6 n GLU 27 Cb 0.10 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2oo6 n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2oo6 n GLY 28 N 1.13 0.64 3.76 0.62 0.00 -0.08 -5.04 105.19 106.21 2oo6 n GLY 28 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2oo6 n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oo6 s ILE 29 N -2.27 3.37 -0.16 -0.61 -1.09 -1.26 -4.82 121.20 114.37 2oo6 s ILE 29 Ca 0.00 1.35 0.01 0.00 -2.23 0.00 0.00 60.65 59.78 2oo6 s ILE 29 Cb 0.00 -3.86 0.01 0.00 -1.58 0.00 0.00 42.46 37.03 2oo6 s ILE 29 CO 0.00 0.31 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.14 2oo6 s VAL 30 N -1.01 2.32 -0.08 2.92 1.01 -1.26 -1.13 120.40 123.16 2oo6 s VAL 30 Ca 0.46 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 2oo6 s VAL 30 Cb -0.33 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 2oo6 s VAL 30 CO 0.42 0.53 -0.03 -0.83 0.00 0.00 0.00 175.10 175.20 2oo6 s GLY 31 N 0.95 1.79 0.11 4.51 0.00 0.21 -4.69 107.32 110.19 2oo6 s GLY 31 Ca -0.03 -0.84 0.10 0.00 0.00 0.00 0.00 44.72 43.95 2oo6 s GLY 31 CO -0.04 -0.57 -0.24 -0.98 0.00 0.00 0.00 173.10 171.27 2oo6 s TRP 32 N -0.76 2.09 0.25 1.90 0.52 -1.26 -0.78 118.94 120.90 2oo6 s TRP 32 Ca 0.12 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.86 2oo6 s TRP 32 Cb -0.11 -1.14 -0.04 0.00 -1.15 0.00 0.00 33.47 31.03 2oo6 s TRP 32 CO 0.02 0.27 0.16 -1.54 0.02 0.00 0.00 176.95 175.88 2oo6 s SER 33 N -1.95 0.88 -0.01 2.95 1.04 -0.54 -4.11 113.70 111.95 2oo6 s SER 33 Ca 0.11 -1.49 0.07 0.00 0.48 0.00 0.00 55.95 55.12 2oo6 s SER 33 Cb -0.10 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.38 2oo6 s SER 33 CO 0.05 -0.87 -0.22 -0.70 0.98 0.00 0.00 173.24 172.49 2oo6 s GLU 34 N -3.95 1.72 0.31 4.02 2.12 -1.26 -1.72 118.70 119.95 2oo6 s GLU 34 Ca 0.38 -0.79 0.04 0.00 0.36 0.00 0.00 54.97 54.96 2oo6 s GLU 34 Cb 0.06 -1.68 -0.02 0.00 0.26 0.00 0.00 34.13 32.74 2oo6 s GLU 34 CO 0.16 0.46 0.31 -0.59 -0.54 0.00 0.00 175.26 175.06 2oo6 s PHE 35 N -0.53 1.49 -0.01 5.30 -0.12 -0.07 -4.92 117.98 119.12 2oo6 s PHE 35 Ca 0.08 -1.52 -0.02 0.00 -0.05 0.00 0.00 56.93 55.42 2oo6 s PHE 35 Cb -0.08 -0.53 0.00 0.00 -0.63 0.00 0.00 43.02 41.78 2oo6 s PHE 35 CO -0.01 -0.91 0.05 0.34 -0.05 0.00 0.00 175.22 174.65 2oo6 s ASP 36 N -3.31 0.00 -0.05 1.98 2.15 -1.26 -2.61 116.67 113.58 2oo6 s ASP 36 Ca 0.38 -0.03 0.13 0.00 0.43 0.00 0.00 52.55 53.46 2oo6 s ASP 36 Cb 0.02 0.13 -0.20 0.00 -0.30 0.00 0.00 42.92 42.58 2oo6 s ASP 36 CO 0.24 -0.11 0.23 -0.62 -0.17 0.00 0.00 175.17 174.73 2oo6 n GLU 37 N 2.60 0.83 -0.08 4.34 1.02 -1.26 -4.78 120.64 123.31 2oo6 n GLU 37 Ca -0.16 -0.09 -0.01 0.00 -0.02 0.00 0.00 57.16 56.89 2oo6 n GLU 37 Cb 0.58 -1.33 0.26 0.00 -0.02 0.00 0.00 31.44 30.94 2oo6 n GLU 37 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2oo6 h GLY 38 N 2.53 0.76 -5.28 0.62 0.00 -1.88 0.04 103.07 99.86 2oo6 h GLY 38 Ca -0.10 -0.40 -0.68 0.00 0.00 0.00 0.00 47.33 46.15 2oo6 h GLY 38 CO 0.01 0.38 3.63 0.33 0.00 0.00 0.00 176.54 180.88 2oo6 n PHE 39 N -4.32 2.71 -1.78 5.60 7.35 -1.26 -0.10 117.46 125.67 2oo6 n PHE 39 Ca 0.03 -3.06 -0.12 0.00 -0.76 0.00 0.00 57.45 53.54 2oo6 n PHE 39 Cb 0.19 -2.49 -0.03 0.00 0.35 0.00 0.00 39.48 37.49 2oo6 n PHE 39 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2oo6 n GLY 40 N 3.66 0.62 2.66 7.13 0.00 -1.25 -4.97 105.19 113.03 2oo6 n GLY 40 Ca 0.71 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 2oo6 n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2oo6 n SER 41 N -0.16 3.40 -4.77 1.61 7.64 0.00 -5.04 113.62 116.31 2oo6 n SER 41 Ca -0.13 -3.45 -0.37 0.00 1.01 0.00 0.00 58.87 55.92 2oo6 n SER 41 Cb 0.50 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 2oo6 n SER 41 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2oo6 s PRO 42 N -3.21 3.65 0.00 1.43 0.04 -1.23 -3.60 135.00 132.08 2oo6 s PRO 42 Ca 0.45 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.38 2oo6 s PRO 42 Cb 0.33 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2oo6 s PRO 42 CO -0.12 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 176.66 2oo6 n GLY 43 N 0.52 1.33 0.27 0.56 0.00 -1.26 -4.95 105.19 101.67 2oo6 n GLY 43 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 2oo6 n GLY 43 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2oo6 h VAL 44 N 0.00 1.12 -0.57 1.61 2.07 -1.84 -1.86 116.25 116.79 2oo6 h VAL 44 Ca 0.00 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.27 2oo6 h VAL 44 Cb 0.00 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 29.88 2oo6 h VAL 44 CO 0.00 0.16 0.30 0.74 0.02 0.00 0.00 177.57 178.79 2oo6 h THR 45 N 0.89 0.96 -0.88 2.57 2.02 -1.94 -1.00 112.91 115.53 2oo6 h THR 45 Ca 0.27 -0.20 0.07 0.00 0.77 0.00 0.00 66.41 67.32 2oo6 h THR 45 Cb -0.02 0.34 -0.06 0.00 -1.74 0.00 0.00 68.15 66.66 2oo6 h THR 45 CO -0.09 0.10 0.55 0.00 0.37 0.00 0.00 175.52 176.45 2oo6 h ALA 46 N 1.31 1.22 -0.14 6.16 0.00 -1.81 0.48 119.26 126.47 2oo6 h ALA 46 Ca 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2oo6 h ALA 46 Cb 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2oo6 h ALA 46 CO -0.17 0.29 0.05 0.28 0.00 0.00 0.00 179.25 179.70 2oo6 h VAL 47 N 0.99 1.16 -0.71 0.00 2.07 -0.56 -2.27 116.25 116.93 2oo6 h VAL 47 Ca 0.39 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2oo6 h VAL 47 Cb 0.19 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 2oo6 h VAL 47 CO -0.18 0.15 0.39 0.40 0.02 0.00 0.00 177.57 178.35 2oo6 h ILE 48 N 0.07 1.22 -0.69 4.57 2.04 -0.65 -0.54 117.51 123.52 2oo6 h ILE 48 Ca 0.05 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 2oo6 h ILE 48 Cb 0.19 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 2oo6 h ILE 48 CO -0.00 0.24 0.40 -0.33 0.00 0.00 0.00 178.15 178.45 2oo6 h GLU 49 N 0.97 0.95 0.06 2.37 4.39 -0.80 0.25 114.58 122.76 2oo6 h GLU 49 Ca 0.25 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 2oo6 h GLU 49 Cb 0.03 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.49 2oo6 h GLU 49 CO -0.04 0.69 -0.03 0.37 -1.16 0.00 0.00 179.01 178.84 2oo6 h GLN 50 N 0.94 -0.07 -0.50 2.33 5.75 -1.16 -3.23 115.11 119.17 2oo6 h GLN 50 Ca 0.24 0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.70 2oo6 h GLN 50 Cb -0.00 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 2oo6 h GLN 50 CO -0.04 0.33 0.09 -0.07 -2.65 0.00 0.00 178.83 176.48 2oo6 h LEU 51 N -0.49 0.72 -1.98 -2.39 3.38 -0.96 -2.75 115.31 110.83 2oo6 h LEU 51 Ca -0.01 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.85 2oo6 h LEU 51 Cb 0.43 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2oo6 h LEU 51 CO 0.01 0.73 0.06 1.23 0.09 0.00 0.00 178.44 180.57 2oo6 h GLY 52 N 0.94 0.03 1.57 0.83 0.00 -0.58 -1.56 103.07 104.30 2oo6 h GLY 52 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 2oo6 h GLY 52 CO 0.00 0.01 0.15 0.50 0.00 0.00 0.00 176.54 177.20 2oo6 h LYS 53 N 0.03 0.56 0.00 4.80 1.57 -1.50 -2.31 116.57 119.71 2oo6 h LYS 53 Ca 0.04 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 2oo6 h LYS 53 Cb 0.13 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2oo6 h LYS 53 CO -0.00 0.47 -0.69 0.00 -0.57 0.00 0.00 179.45 178.66 2oo6 h ARG 54 N 0.56 0.00 -0.01 3.15 2.47 -1.40 -3.29 114.38 115.86 2oo6 h ARG 54 Ca 0.14 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.69 2oo6 h ARG 54 Cb 0.13 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 2oo6 h ARG 54 CO -0.01 0.69 -0.75 1.25 0.56 0.00 0.00 179.97 181.71 2oo6 h LEU 55 N 0.00 0.14 -9.68 3.04 5.85 -1.23 -3.44 115.31 110.00 2oo6 h LEU 55 Ca -0.01 -0.10 -0.52 0.00 0.84 0.00 0.00 57.88 58.09 2oo6 h LEU 55 Cb 1.41 -0.04 0.06 0.00 0.37 0.00 0.00 40.66 42.46 2oo6 h LEU 55 CO 0.09 0.84 0.93 -0.69 -0.34 0.00 0.00 178.44 179.26 2oo6 s VAL 56 N -3.40 2.28 0.00 1.05 1.01 -1.06 -1.14 120.40 119.14 2oo6 s VAL 56 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.17 2oo6 s VAL 56 Cb 0.11 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.36 2oo6 s VAL 56 CO 0.80 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.53 2oo6 n GLY 57 N 3.42 3.09 3.91 4.51 0.00 0.22 -4.98 105.19 115.36 2oo6 n GLY 57 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 2oo6 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oo6 s ALA 58 N -2.87 3.29 0.19 4.61 0.00 -0.29 -4.72 121.76 121.97 2oo6 s ALA 58 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 51.96 51.01 2oo6 s ALA 58 Cb 0.00 -2.63 -0.09 0.00 0.00 0.00 0.00 23.12 20.41 2oo6 s ALA 58 CO 0.00 -0.77 1.29 0.45 0.00 0.00 0.00 175.76 176.73 2oo6 s SER 59 N -4.28 6.93 0.56 0.00 0.15 -1.26 -0.54 113.70 115.25 2oo6 s SER 59 Ca 0.53 2.37 0.33 0.00 0.70 0.00 0.00 55.95 59.88 2oo6 s SER 59 Cb -0.11 -2.61 1.65 0.00 -1.71 0.00 0.00 66.02 63.24 2oo6 s SER 59 CO 0.46 -0.51 2.12 1.62 1.20 0.00 0.00 173.24 178.13 2oo6 h VAL 60 N 3.77 0.30 0.00 4.45 3.04 -1.28 -2.96 116.25 123.57 2oo6 h VAL 60 Ca -0.45 -0.42 -0.03 0.00 -1.01 0.00 0.00 66.70 64.80 2oo6 h VAL 60 Cb 1.21 1.31 -0.00 0.00 -2.01 0.00 0.00 31.29 31.80 2oo6 h VAL 60 CO 0.77 0.06 -0.12 0.24 -1.01 0.00 0.00 177.57 177.51 2oo6 h MET 61 N 0.00 0.00 -2.43 4.17 2.86 -1.91 -3.39 114.93 114.23 2oo6 h MET 61 Ca -0.00 0.00 -0.80 0.00 -2.06 0.00 0.00 59.70 56.84 2oo6 h MET 61 Cb 0.31 0.00 -0.26 0.00 0.06 0.00 0.00 31.60 31.71 2oo6 h MET 61 CO 0.01 0.12 1.14 0.39 1.06 0.00 0.00 176.91 179.64 2oo6 n GLU 62 N -3.18 5.16 0.01 1.72 1.02 -1.12 -4.78 120.64 119.48 2oo6 n GLU 62 Ca 0.02 -4.51 -0.07 0.00 -0.02 0.00 0.00 57.16 52.58 2oo6 n GLU 62 Cb 0.48 -2.50 0.10 0.00 -0.02 0.00 0.00 31.44 29.50 2oo6 n GLU 62 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 2oo6 h HIS 63 N 4.51 0.61 0.00 -0.32 2.07 -1.83 -2.20 115.15 117.98 2oo6 h HIS 63 Ca 0.49 -0.19 -0.15 0.00 -2.85 0.00 0.00 60.37 57.67 2oo6 h HIS 63 Cb 0.38 -0.12 -0.02 0.00 2.57 0.00 0.00 27.41 30.21 2oo6 h HIS 63 CO 1.30 0.88 -0.71 1.49 -3.07 0.00 0.00 177.93 177.83 2oo6 h GLU 64 N 0.40 0.00 -0.10 5.12 4.57 -1.97 0.02 114.58 122.62 2oo6 h GLU 64 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2oo6 h GLU 64 Cb 0.98 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.56 2oo6 h GLU 64 CO 0.09 0.71 0.07 -0.09 -1.18 0.00 0.00 179.01 178.60 2oo6 h ARG 65 N 0.00 0.13 -0.82 1.92 2.43 -1.91 0.88 114.38 117.01 2oo6 h ARG 65 Ca -0.01 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2oo6 h ARG 65 Cb 1.28 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.76 2oo6 h ARG 65 CO 0.09 0.09 0.54 0.35 -1.51 0.00 0.00 179.97 179.53 2oo6 h PHE 66 N 0.14 1.03 -0.04 2.20 3.57 -1.08 -1.09 116.94 121.67 2oo6 h PHE 66 Ca 0.04 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.58 2oo6 h PHE 66 Cb -0.01 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.35 2oo6 h PHE 66 CO -0.07 0.66 -0.09 0.35 -2.23 0.00 0.00 178.31 176.92 2oo6 h PHE 67 N 1.11 -0.23 -0.35 0.41 3.57 -0.75 0.14 116.94 120.85 2oo6 h PHE 67 Ca 0.30 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.87 2oo6 h PHE 67 Cb -0.12 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 2oo6 h PHE 67 CO -0.01 -0.14 0.01 0.00 -2.23 0.00 0.00 178.31 175.94 2oo6 h ALA 68 N 0.88 0.32 -0.16 2.41 0.00 -0.58 0.11 119.26 122.24 2oo6 h ALA 68 Ca 0.05 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2oo6 h ALA 68 Cb 0.20 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2oo6 h ALA 68 CO -0.12 -0.39 0.09 1.49 0.00 0.00 0.00 179.25 180.32 2oo6 h GLU 69 N 0.11 0.23 -0.67 0.00 4.81 -1.00 -1.79 114.58 116.27 2oo6 h GLU 69 Ca 0.17 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2oo6 h GLU 69 Cb 0.22 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2oo6 h GLU 69 CO -0.27 0.22 0.35 0.00 -0.73 0.00 0.00 179.01 178.58 2oo6 h ALA 70 N 0.99 0.85 -0.55 2.92 0.00 -0.42 -0.60 119.26 122.46 2oo6 h ALA 70 Ca 0.06 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2oo6 h ALA 70 Cb 0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2oo6 h ALA 70 CO -0.01 0.39 0.31 -0.92 0.00 0.00 0.00 179.25 179.02 2oo6 h TYR 71 N 0.91 0.59 0.03 0.00 3.20 -0.71 -1.12 116.97 119.87 2oo6 h TYR 71 Ca 0.23 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.12 2oo6 h TYR 71 Cb 0.07 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 2oo6 h TYR 71 CO -0.00 0.32 -0.04 0.00 -1.64 0.00 0.00 178.16 176.80 2oo6 h LEU 73 N -0.08 0.00 -3.02 0.00 3.38 -0.56 -2.68 115.31 112.35 2oo6 h LEU 73 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2oo6 h LEU 73 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2oo6 h LEU 73 CO -0.02 0.11 0.00 0.35 0.09 0.00 0.00 178.44 178.98 2oo6 n THR 74 N -3.66 1.47 -0.27 0.22 -2.24 -0.48 -4.86 114.28 104.46 2oo6 n THR 74 Ca -0.02 -1.46 0.04 0.00 -2.27 0.00 0.00 64.05 60.34 2oo6 n THR 74 Cb 0.23 0.18 0.13 0.00 -2.10 0.00 0.00 70.33 68.77 2oo6 n THR 74 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2oo6 h ARG 75 N 0.93 0.03 -0.02 -0.78 2.43 -0.56 -1.78 114.38 114.62 2oo6 h ARG 75 Ca 0.00 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2oo6 h ARG 75 Cb 0.87 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2oo6 h ARG 75 CO 0.05 0.02 -0.03 -1.35 -1.51 0.00 0.00 179.97 177.15 2oo6 h PRO 76 N 0.03 0.03 -0.29 0.20 0.11 -1.87 -2.85 132.00 127.37 2oo6 h PRO 76 Ca 0.41 -0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.32 2oo6 h PRO 76 Cb 0.67 -0.01 -0.14 0.00 0.11 0.00 0.00 31.00 31.64 2oo6 h PRO 76 CO -0.78 0.06 -0.48 0.00 -0.21 0.00 0.00 178.00 176.60 2oo6 n ALA 77 N -2.53 4.22 -0.92 -0.75 0.00 -0.70 -5.07 120.51 114.77 2oo6 n ALA 77 Ca -0.03 -3.42 -0.30 0.00 0.00 0.00 0.00 53.44 49.70 2oo6 n ALA 77 Cb 0.13 -0.45 0.17 0.00 0.00 0.00 0.00 19.45 19.30 2oo6 n ALA 77 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2oo6 s THR 78 N -3.65 2.39 0.00 0.00 -1.32 -1.02 -4.58 115.64 107.46 2oo6 s THR 78 Ca 0.43 0.13 0.00 0.00 -1.21 0.00 0.00 61.69 61.04 2oo6 s THR 78 Cb 0.39 -2.39 0.00 0.00 -1.51 0.00 0.00 72.50 68.99 2oo6 s THR 78 CO -0.03 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 172.83 2oo6 n GLY 79 N -0.32 -0.76 7.00 6.08 0.00 -1.26 -4.91 105.19 111.03 2oo6 n GLY 79 Ca 0.07 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2oo6 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oo6 n GLY 80 N -0.75 2.80 0.24 -0.02 0.00 -1.26 -2.17 105.19 104.02 2oo6 n GLY 80 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 2oo6 n GLY 80 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2oo6 h VAL 81 N 0.00 1.24 -0.11 1.61 2.07 -1.92 -0.84 116.25 118.31 2oo6 h VAL 81 Ca 0.00 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 2oo6 h VAL 81 Cb 0.00 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2oo6 h VAL 81 CO 0.00 0.36 0.06 0.58 0.02 0.00 0.00 177.57 178.58 2oo6 h VAL 82 N 0.37 1.11 -0.03 2.57 2.07 -1.72 -1.65 116.25 118.96 2oo6 h VAL 82 Ca 0.06 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 2oo6 h VAL 82 Cb 0.58 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2oo6 h VAL 82 CO 0.04 0.10 -0.45 0.28 0.02 0.00 0.00 177.57 177.56 2oo6 h SER 83 N 0.07 0.06 -0.63 0.57 0.02 -0.89 -1.50 113.55 111.26 2oo6 h SER 83 Ca 0.04 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2oo6 h SER 83 Cb 0.11 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 2oo6 h SER 83 CO -0.01 0.50 0.33 -0.33 -1.14 0.00 0.00 176.83 176.19 2oo6 h GLU 84 N 0.05 0.88 -0.36 3.45 5.08 -0.99 0.66 114.58 123.36 2oo6 h GLU 84 Ca 0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2oo6 h GLU 84 Cb 0.81 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2oo6 h GLU 84 CO 0.06 0.68 0.24 0.78 -1.00 0.00 0.00 179.01 179.77 2oo6 h GLY 85 N 0.85 0.50 1.00 -3.84 0.00 -0.38 -1.18 103.07 100.02 2oo6 h GLY 85 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2oo6 h GLY 85 CO -0.03 0.18 0.31 -2.22 0.00 0.00 0.00 176.54 174.78 2oo6 h ILE 86 N 0.48 1.13 -0.76 2.60 2.04 -1.04 -2.40 117.51 119.56 2oo6 h ILE 86 Ca 0.13 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2oo6 h ILE 86 Cb -0.06 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 2oo6 h ILE 86 CO -0.03 0.13 0.43 1.23 0.00 0.00 0.00 178.15 179.91 2oo6 h GLY 87 N 0.64 1.12 0.93 5.37 0.00 -0.66 0.37 103.07 110.84 2oo6 h GLY 87 Ca 0.17 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 2oo6 h GLY 87 CO -0.04 0.47 0.12 0.00 0.00 0.00 0.00 176.54 177.09 2oo6 h ALA 88 N 1.22 0.50 -0.47 3.60 0.00 -1.04 -0.82 119.26 122.27 2oo6 h ALA 88 Ca 0.27 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2oo6 h ALA 88 Cb 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2oo6 h ALA 88 CO -0.05 0.15 0.23 0.82 0.00 0.00 0.00 179.25 180.41 2oo6 h ILE 89 N 0.47 1.18 -0.72 0.00 2.04 -1.21 -2.14 117.51 117.14 2oo6 h ILE 89 Ca 0.12 -0.50 0.08 0.00 1.00 0.00 0.00 64.86 65.57 2oo6 h ILE 89 Cb 0.26 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 2oo6 h ILE 89 CO -0.00 0.20 0.37 -0.08 0.00 0.00 0.00 178.15 178.64 2oo6 h GLU 90 N 0.61 0.63 -0.18 2.37 4.81 -0.54 0.15 114.58 122.43 2oo6 h GLU 90 Ca 0.16 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 2oo6 h GLU 90 Cb 0.10 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2oo6 h GLU 90 CO -0.02 0.42 -0.31 -0.91 -0.73 0.00 0.00 179.01 177.46 2oo6 h ASN 91 N 0.65 0.36 -0.28 1.04 2.35 -0.95 -0.81 115.58 117.95 2oo6 h ASN 91 Ca 0.34 -0.13 -0.15 0.00 -0.55 0.00 0.00 56.30 55.81 2oo6 h ASN 91 Cb 0.32 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 2oo6 h ASN 91 CO -0.24 0.66 -0.42 0.00 -1.65 0.00 0.00 177.43 175.78 2oo6 h ALA 92 N 1.37 0.42 -0.78 -0.83 0.00 -0.69 -2.26 119.26 116.49 2oo6 h ALA 92 Ca 0.04 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.51 2oo6 h ALA 92 Cb 0.70 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2oo6 h ALA 92 CO 0.05 0.54 0.51 -0.07 0.00 0.00 0.00 179.25 180.28 2oo6 h LEU 93 N 0.52 0.85 -0.33 0.00 3.38 -0.68 -1.66 115.31 117.40 2oo6 h LEU 93 Ca 0.03 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2oo6 h LEU 93 Cb 1.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2oo6 h LEU 93 CO 0.10 0.60 0.03 -0.07 0.09 0.00 0.00 178.44 179.19 2oo6 h LEU 94 N 1.01 0.55 -0.32 1.67 3.38 -1.07 0.19 115.31 120.72 2oo6 h LEU 94 Ca 0.30 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 58.05 2oo6 h LEU 94 Cb -0.04 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 2oo6 h LEU 94 CO -0.09 0.70 -0.05 -0.78 0.09 0.00 0.00 178.44 178.30 2oo6 h ASP 95 N 0.39 -0.23 -0.30 -0.43 3.58 -1.23 0.09 116.42 118.28 2oo6 h ASP 95 Ca 0.10 0.09 -0.13 0.00 0.42 0.00 0.00 57.03 57.50 2oo6 h ASP 95 Cb 0.40 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 2oo6 h ASP 95 CO 0.01 -0.08 -0.31 0.00 -2.88 0.00 0.00 179.24 175.99 2oo6 h ALA 96 N 1.30 0.75 -0.27 -0.78 0.00 -0.98 -0.30 119.26 118.99 2oo6 h ALA 96 Ca 0.15 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2oo6 h ALA 96 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2oo6 h ALA 96 CO -0.30 0.66 0.15 -0.22 0.00 0.00 0.00 179.25 179.54 2oo6 h LYS 97 N 0.69 0.37 -0.11 0.00 3.64 -0.32 -0.22 116.57 120.62 2oo6 h LYS 97 Ca 0.08 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2oo6 h LYS 97 Cb 0.85 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 2oo6 h LYS 97 CO 0.07 0.31 0.06 0.00 -2.27 0.00 0.00 179.45 177.63 2oo6 h ALA 98 N 1.04 0.15 -1.00 5.00 0.00 -0.74 -1.72 119.26 121.99 2oo6 h ALA 98 Ca 0.10 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2oo6 h ALA 98 Cb 0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2oo6 h ALA 98 CO -0.02 -0.33 0.66 0.87 0.00 0.00 0.00 179.25 180.44 2oo6 h LYS 99 N 0.10 1.29 -0.78 0.00 1.57 -0.95 0.14 116.57 117.95 2oo6 h LYS 99 Ca 0.04 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2oo6 h LYS 99 Cb 0.06 -0.29 -0.04 0.00 0.08 0.00 0.00 32.23 32.04 2oo6 h LYS 99 CO -0.01 0.85 0.51 1.15 -0.57 0.00 0.00 179.45 181.39 2oo6 h THR 100 N 1.33 1.18 -0.13 -0.16 2.02 -0.74 -1.62 112.91 114.80 2oo6 h THR 100 Ca 0.37 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.20 2oo6 h THR 100 Cb -0.11 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.36 2oo6 h THR 100 CO -0.09 0.19 0.00 0.18 0.37 0.00 0.00 175.52 176.17 2oo6 n LEU 101 N -4.43 1.74 -3.59 2.58 4.77 -0.54 -4.96 117.00 112.58 2oo6 n LEU 101 Ca 0.09 -0.68 -0.22 0.00 -0.03 0.00 0.00 56.01 55.17 2oo6 n LEU 101 Cb 0.05 -0.08 0.07 0.00 -2.33 0.00 0.00 43.42 41.14 2oo6 n LEU 101 CO 0.36 0.34 0.14 -3.20 -1.33 0.00 0.00 177.39 173.70 2oo6 n ASN 102 N 0.36 -3.92 -4.12 -1.43 5.15 0.40 -5.02 115.26 106.68 2oo6 n ASN 102 Ca 0.17 -0.64 -0.12 0.00 -0.60 0.00 0.00 54.58 53.39 2oo6 n ASN 102 Cb 0.36 -4.80 -0.11 0.00 -0.53 0.00 0.00 39.78 34.70 2oo6 n ASN 102 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2oo6 s VAL 103 N -3.38 0.65 0.65 3.44 -7.23 -0.71 -4.82 120.40 109.00 2oo6 s VAL 103 Ca 0.31 -1.46 -0.17 0.00 -1.81 0.00 0.00 61.98 58.85 2oo6 s VAL 103 Cb -0.14 -1.09 -0.01 0.00 0.56 0.00 0.00 36.38 35.70 2oo6 s VAL 103 CO 0.75 -0.58 1.19 -2.84 -0.31 0.00 0.00 175.10 173.32 2oo6 s PRO 104 N -2.54 2.68 0.48 4.82 0.02 -1.21 -1.04 135.00 138.21 2oo6 s PRO 104 Ca -0.00 1.73 0.18 0.00 0.02 0.00 0.00 61.00 62.92 2oo6 s PRO 104 Cb -0.04 -1.90 1.18 0.00 0.02 0.00 0.00 34.50 33.76 2oo6 s PRO 104 CO -0.01 -1.41 2.01 0.00 -0.33 0.00 0.00 177.00 177.25 2oo6 h TYR 106 N 0.22 0.00 0.00 0.00 -0.00 -1.85 0.45 116.97 115.79 2oo6 h TYR 106 Ca 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.96 2oo6 h TYR 106 Cb 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.36 2oo6 h TYR 106 CO -0.00 0.00 -0.02 0.93 -0.00 0.00 0.00 178.16 179.07 2oo6 h GLU 107 N 0.00 0.00 -0.00 0.10 4.39 -1.56 -0.76 114.58 116.75 2oo6 h GLU 107 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2oo6 h GLU 107 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2oo6 h GLU 107 CO -0.00 0.02 -0.12 1.28 -1.16 0.00 0.00 179.01 179.03 2oo6 n LEU 108 N -3.13 0.37 -0.47 1.33 4.77 0.15 -4.31 117.00 115.71 2oo6 n LEU 108 Ca 0.00 0.09 0.05 0.00 -0.03 0.00 0.00 56.01 56.11 2oo6 n LEU 108 Cb 0.28 -0.23 0.13 0.00 -2.33 0.00 0.00 43.42 41.27 2oo6 n LEU 108 CO 0.27 0.07 0.60 0.18 -1.33 0.00 0.00 177.39 177.18 2oo6 n LEU 109 N -1.09 2.78 0.00 2.23 4.77 -0.36 -4.88 117.00 120.45 2oo6 n LEU 109 Ca 0.13 -2.20 0.00 0.00 -0.03 0.00 0.00 56.01 53.91 2oo6 n LEU 109 Cb 0.28 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2oo6 n LEU 109 CO 0.25 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 2oo6 n GLY 110 N -0.01 0.92 0.00 -0.72 0.00 -1.23 -4.91 105.19 99.25 2oo6 n GLY 110 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2oo6 n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oo6 n GLY 111 N -0.64 -1.81 3.81 -0.02 0.00 -0.79 -4.94 105.19 100.80 2oo6 n GLY 111 Ca 0.00 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 2oo6 n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oo6 s LYS 112 N -2.48 4.00 -0.01 1.61 -2.85 -1.26 -4.48 119.74 114.27 2oo6 s LYS 112 Ca 0.00 1.20 0.10 0.00 -1.00 0.00 0.00 55.97 56.27 2oo6 s LYS 112 Cb 0.00 -2.14 -0.16 0.00 -2.06 0.00 0.00 37.83 33.48 2oo6 s LYS 112 CO 0.00 -0.24 0.25 1.28 0.10 0.00 0.00 175.35 176.74 2oo6 n LEU 113 N -0.93 0.06 -3.67 2.77 4.32 0.90 -4.97 117.00 115.49 2oo6 n LEU 113 Ca 0.08 -0.06 -0.12 0.00 -0.02 0.00 0.00 56.01 55.89 2oo6 n LEU 113 Cb 0.53 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.27 2oo6 n LEU 113 CO 0.39 0.01 0.15 0.00 -1.22 0.00 0.00 177.39 176.72 2oo6 s ARG 114 N -2.64 0.93 0.01 3.23 1.70 -1.20 -5.07 118.95 115.92 2oo6 s ARG 114 Ca -0.03 -0.42 0.20 0.00 -0.47 0.00 0.00 55.73 55.01 2oo6 s ARG 114 Cb 0.07 0.41 -0.20 0.00 -0.57 0.00 0.00 34.95 34.66 2oo6 s ARG 114 CO 0.43 -0.33 0.61 -0.25 -1.08 0.00 0.00 175.30 174.69 2oo6 n ASP 115 N 0.41 0.40 -4.03 -2.89 8.00 -1.26 -4.81 116.55 112.36 2oo6 n ASP 115 Ca -0.18 0.17 -0.12 0.00 0.71 0.00 0.00 54.79 55.37 2oo6 n ASP 115 Cb 0.60 1.03 -0.11 0.00 -0.02 0.00 0.00 41.12 42.62 2oo6 n ASP 115 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2oo6 s ARG 116 N -3.16 0.45 -0.15 -1.24 0.52 -1.26 -2.24 118.95 111.86 2oo6 s ARG 116 Ca -0.05 -0.70 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 2oo6 s ARG 116 Cb 0.10 -0.14 0.02 0.00 0.52 0.00 0.00 34.95 35.45 2oo6 s ARG 116 CO 0.85 0.01 -0.15 0.08 0.02 0.00 0.00 175.30 176.11 2oo6 s VAL 117 N -1.41 1.63 0.34 3.52 1.01 0.03 -4.93 120.40 120.59 2oo6 s VAL 117 Ca -0.12 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 60.90 2oo6 s VAL 117 Cb -0.10 -1.52 -0.11 0.00 0.00 0.00 0.00 36.38 34.65 2oo6 s VAL 117 CO -0.00 0.47 1.43 -2.84 0.00 0.00 0.00 175.10 174.15 2oo6 s PRO 118 N 1.45 4.22 0.34 2.72 0.02 -1.26 -0.45 135.00 142.03 2oo6 s PRO 118 Ca 0.05 2.41 0.09 0.00 0.02 0.00 0.00 61.00 63.57 2oo6 s PRO 118 Cb -0.13 -3.03 -0.06 0.00 0.02 0.00 0.00 34.50 31.31 2oo6 s PRO 118 CO -0.11 -0.41 -0.04 0.14 -0.33 0.00 0.00 177.00 176.26 2oo6 s VAL 119 N -0.89 2.48 0.07 3.83 -7.23 -1.08 -1.64 120.40 115.94 2oo6 s VAL 119 Ca 0.53 -2.08 0.08 0.00 -1.81 0.00 0.00 61.98 58.70 2oo6 s VAL 119 Cb -0.44 -2.72 -0.03 0.00 0.56 0.00 0.00 36.38 33.75 2oo6 s VAL 119 CO 0.56 -0.21 -0.19 -0.72 -0.31 0.00 0.00 175.10 174.23 2oo6 s TYR 120 N -2.55 2.53 -0.54 2.82 -0.85 -0.20 -4.31 117.35 114.26 2oo6 s TYR 120 Ca 0.34 -0.27 -0.26 0.00 -0.52 0.00 0.00 57.07 56.36 2oo6 s TYR 120 Cb 0.01 -1.41 0.03 0.00 0.38 0.00 0.00 41.96 40.97 2oo6 s TYR 120 CO 0.18 0.30 1.02 -0.46 -1.52 0.00 0.00 175.55 175.06 2oo6 s TRP 121 N -1.00 2.77 0.59 -3.49 -0.11 -0.13 -1.50 118.94 116.07 2oo6 s TRP 121 Ca 0.16 0.23 -0.05 0.00 1.22 0.00 0.00 56.10 57.65 2oo6 s TRP 121 Cb -0.10 -4.19 0.02 0.00 -1.50 0.00 0.00 33.47 27.69 2oo6 s TRP 121 CO 0.07 -1.36 0.88 0.45 -4.62 0.00 0.00 176.95 172.38 2oo6 s SER 122 N 2.73 5.48 -1.38 5.86 0.15 0.48 -1.38 113.70 125.64 2oo6 s SER 122 Ca 0.36 0.59 -0.00 0.00 0.70 0.00 0.00 55.95 57.59 2oo6 s SER 122 Cb -0.10 -1.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 2oo6 s SER 122 CO 0.23 -1.11 0.50 1.41 1.20 0.00 0.00 173.24 175.47 2oo6 n HIS 123 N -2.56 -1.72 -3.79 3.44 8.25 -0.90 -4.64 115.22 113.30 2oo6 n HIS 123 Ca 0.05 0.77 -0.29 0.00 -0.26 0.00 0.00 57.72 57.99 2oo6 n HIS 123 Cb 0.58 -3.91 -0.16 0.00 1.12 0.00 0.00 29.99 27.62 2oo6 n HIS 123 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2oo6 n PRO 125 N 4.89 3.59 -0.29 0.00 -0.04 -1.26 -3.68 135.00 138.21 2oo6 n PRO 125 Ca -0.08 -2.24 0.04 0.00 -0.04 0.00 0.00 63.50 61.18 2oo6 n PRO 125 Cb 0.45 -2.03 0.12 0.00 -0.04 0.00 0.00 33.50 32.00 2oo6 n PRO 125 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2oo6 h THR 126 N 2.62 0.18 0.00 0.52 2.02 -1.70 -1.85 112.91 114.70 2oo6 h THR 126 Ca 0.05 -0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.05 2oo6 h THR 126 Cb 1.65 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 2oo6 h THR 126 CO 0.40 0.00 -0.85 -0.50 0.37 0.00 0.00 175.52 174.94 2oo6 h TRP 127 N 0.01 0.06 0.00 3.16 4.06 -1.65 0.30 115.95 121.89 2oo6 h TRP 127 Ca 0.41 -0.03 -0.04 0.00 2.06 0.00 0.00 58.89 61.28 2oo6 h TRP 127 Cb 0.65 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.80 2oo6 h TRP 127 CO -0.62 0.87 -0.21 0.00 -3.56 0.00 0.00 178.44 174.92 2oo6 h ARG 128 N 0.02 0.00 0.10 0.49 3.08 -1.64 0.12 114.38 116.55 2oo6 h ARG 128 Ca -0.02 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.84 2oo6 h ARG 128 Cb 1.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.55 2oo6 h ARG 128 CO 0.12 0.21 -0.92 0.82 -1.07 0.00 0.00 179.97 179.12 2oo6 h ILE 129 N 0.00 1.34 0.00 2.04 2.04 -0.98 -2.67 117.51 119.28 2oo6 h ILE 129 Ca -0.00 -2.43 -0.21 0.00 1.00 0.00 0.00 64.86 63.22 2oo6 h ILE 129 Cb 0.58 2.98 -0.03 0.00 -0.74 0.00 0.00 36.82 39.61 2oo6 h ILE 129 CO 0.03 0.66 -1.27 0.78 0.00 0.00 0.00 178.15 178.35 2oo6 h ASN 130 N -0.51 0.00 -1.72 1.72 2.35 -0.90 -3.39 115.58 113.13 2oo6 h ASN 130 Ca -0.19 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.07 2oo6 h ASN 130 Cb 1.55 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.51 2oo6 h ASN 130 CO 0.06 0.83 -1.02 1.41 -1.65 0.00 0.00 177.43 177.06 2oo6 n HIS 131 N -3.12 1.67 0.29 1.19 8.25 0.41 -4.91 115.22 119.01 2oo6 n HIS 131 Ca -0.08 -3.48 0.18 0.00 -0.26 0.00 0.00 57.72 54.09 2oo6 n HIS 131 Cb 0.93 -0.38 0.83 0.00 1.12 0.00 0.00 29.99 32.49 2oo6 n HIS 131 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2oo6 h PRO 132 N 2.94 0.00 0.00 -0.41 0.13 -1.71 -0.54 132.00 132.41 2oo6 h PRO 132 Ca 0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 2oo6 h PRO 132 Cb 0.93 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 2oo6 h PRO 132 CO 0.61 0.01 -0.06 -0.22 -0.23 0.00 0.00 178.00 178.11 2oo6 h LYS 133 N 0.00 0.00 0.00 0.86 3.64 -1.92 -3.30 116.57 115.85 2oo6 h LYS 133 Ca -0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 2oo6 h LYS 133 Cb 0.37 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 2oo6 h LYS 133 CO 0.00 0.06 -1.37 1.19 -2.27 0.00 0.00 179.45 177.06 2oo6 n PHE 134 N -3.57 0.00 -4.79 1.91 3.72 -0.51 -5.01 117.46 109.21 2oo6 n PHE 134 Ca -0.02 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.13 2oo6 n PHE 134 Cb 0.18 -0.26 -0.15 0.00 -0.94 0.00 0.00 39.48 38.31 2oo6 n PHE 134 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2oo6 s PHE 135 N -2.17 1.63 0.28 1.38 0.08 -0.33 -4.60 117.98 114.26 2oo6 s PHE 135 Ca -0.03 -0.32 0.02 0.00 0.12 0.00 0.00 56.93 56.72 2oo6 s PHE 135 Cb 0.02 -1.03 -0.06 0.00 -0.57 0.00 0.00 43.02 41.38 2oo6 s PHE 135 CO 0.23 0.00 0.08 0.20 -0.10 0.00 0.00 175.22 175.63 2oo6 s GLY 136 N -0.63 1.85 0.48 4.36 0.00 -1.26 -4.25 107.32 107.86 2oo6 s GLY 136 Ca 0.07 -1.93 -0.21 0.00 0.00 0.00 0.00 44.72 42.64 2oo6 s GLY 136 CO -0.00 -1.67 1.11 2.56 0.00 0.00 0.00 173.10 175.10 2oo6 s PRO 137 N -3.98 3.70 0.63 2.90 0.04 -1.26 -5.04 135.00 131.99 2oo6 s PRO 137 Ca 0.37 1.60 -0.18 0.00 0.04 0.00 0.00 61.00 62.83 2oo6 s PRO 137 Cb 0.08 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 2oo6 s PRO 137 CO 0.14 -0.56 1.20 -2.30 0.04 0.00 0.00 177.00 175.52 2oo6 n PRO 138 N -0.78 1.07 -4.35 0.56 -0.02 -1.26 -4.88 135.00 125.35 2oo6 n PRO 138 Ca 0.09 0.42 -0.31 0.00 -2.02 0.00 0.00 63.50 61.67 2oo6 n PRO 138 Cb 0.50 -2.43 -0.16 0.00 -0.02 0.00 0.00 33.50 31.39 2oo6 n PRO 138 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2oo6 s VAL 139 N -1.42 1.86 0.00 -1.45 1.01 -1.01 -4.98 120.40 114.42 2oo6 s VAL 139 Ca 0.80 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2oo6 s VAL 139 Cb -0.39 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.31 2oo6 s VAL 139 CO 0.42 0.51 0.12 0.35 0.00 0.00 0.00 175.10 176.51 2oo6 n THR 140 N 4.39 0.00 -3.84 3.92 -2.24 -1.26 -4.26 114.28 110.99 2oo6 n THR 140 Ca -0.19 -0.14 -0.09 0.00 -2.27 0.00 0.00 64.05 61.35 2oo6 n THR 140 Cb 0.51 1.64 0.02 0.00 -2.10 0.00 0.00 70.33 70.40 2oo6 n THR 140 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2oo6 s ASP 141 N -0.03 0.09 0.35 3.42 1.47 -1.26 -4.36 116.67 116.35 2oo6 s ASP 141 Ca 0.00 -1.17 0.04 0.00 1.18 0.00 0.00 52.55 52.60 2oo6 s ASP 141 Cb 0.00 0.83 0.65 0.00 -0.34 0.00 0.00 42.92 44.06 2oo6 s ASP 141 CO 0.00 -1.65 1.93 -0.07 0.68 0.00 0.00 175.17 176.07 2oo6 h LEU 142 N 2.01 0.55 -0.53 2.11 3.38 -1.97 -2.19 115.31 118.68 2oo6 h LEU 142 Ca -0.31 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2oo6 h LEU 142 Cb 1.25 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 2oo6 h LEU 142 CO 0.40 0.53 0.34 -0.78 0.09 0.00 0.00 178.44 179.02 2oo6 h ASP 143 N 0.60 0.61 -0.88 -0.43 3.58 -1.97 -1.18 116.42 116.74 2oo6 h ASP 143 Ca 0.14 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 2oo6 h ASP 143 Cb 0.17 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.02 2oo6 h ASP 143 CO -0.01 0.45 0.48 1.23 -2.88 0.00 0.00 179.24 178.51 2oo6 h GLY 144 N 0.71 1.32 0.77 -0.78 0.00 -1.83 0.27 103.07 103.53 2oo6 h GLY 144 Ca 0.19 -0.60 0.01 0.00 0.00 0.00 0.00 47.33 46.93 2oo6 h GLY 144 CO -0.04 0.58 -0.13 -2.08 0.00 0.00 0.00 176.54 174.86 2oo6 h VAL 145 N 1.24 0.69 -0.40 4.60 2.07 -1.05 -0.15 116.25 123.24 2oo6 h VAL 145 Ca 0.31 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.90 2oo6 h VAL 145 Cb 0.03 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 2oo6 h VAL 145 CO -0.05 0.00 0.04 0.50 0.02 0.00 0.00 177.57 178.08 2oo6 h LYS 146 N -0.26 0.15 -0.47 1.57 3.64 -0.86 -2.38 116.57 117.96 2oo6 h LYS 146 Ca 0.02 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2oo6 h LYS 146 Cb 0.28 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2oo6 h LYS 146 CO -0.08 0.10 0.15 0.00 -2.27 0.00 0.00 179.45 177.35 2oo6 h ARG 147 N 0.16 0.69 -0.49 1.90 3.08 -0.67 -0.69 114.38 118.36 2oo6 h ARG 147 Ca 0.20 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 2oo6 h ARG 147 Cb 0.26 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 2oo6 h ARG 147 CO -0.29 0.60 0.27 1.15 -1.07 0.00 0.00 179.97 180.63 2oo6 h THR 148 N 0.68 1.17 -0.75 2.04 2.02 -0.63 -0.43 112.91 117.01 2oo6 h THR 148 Ca 0.16 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 2oo6 h THR 148 Cb 0.20 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 2oo6 h THR 148 CO -0.01 0.18 0.35 0.00 0.37 0.00 0.00 175.52 176.41 2oo6 h ALA 149 N 1.12 0.96 -0.77 6.16 0.00 -0.93 -1.71 119.26 124.09 2oo6 h ALA 149 Ca 0.17 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2oo6 h ALA 149 Cb 0.04 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 2oo6 h ALA 149 CO -0.03 0.54 0.47 0.93 0.00 0.00 0.00 179.25 181.16 2oo6 h GLU 150 N 1.05 0.85 -0.48 0.00 5.08 -0.77 -1.80 114.58 118.51 2oo6 h GLU 150 Ca 0.26 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2oo6 h GLU 150 Cb 0.13 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2oo6 h GLU 150 CO -0.03 0.56 0.27 1.49 -1.00 0.00 0.00 179.01 180.30 2oo6 h GLU 151 N 0.87 0.66 -0.56 2.33 4.81 -0.67 0.12 114.58 122.15 2oo6 h GLU 151 Ca 0.33 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.52 2oo6 h GLU 151 Cb 0.13 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 2oo6 h GLU 151 CO -0.16 0.52 0.33 0.00 -0.73 0.00 0.00 179.01 178.97 2oo6 h ALA 152 N 1.11 0.73 -0.06 2.92 0.00 -1.01 -0.02 119.26 122.93 2oo6 h ALA 152 Ca 0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2oo6 h ALA 152 Cb 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2oo6 h ALA 152 CO -0.03 0.03 0.03 -0.09 0.00 0.00 0.00 179.25 179.19 2oo6 h ARG 153 N 0.64 0.09 -0.93 0.00 2.43 -0.93 -1.54 114.38 114.14 2oo6 h ARG 153 Ca 0.23 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.48 2oo6 h ARG 153 Cb 0.07 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.53 2oo6 h ARG 153 CO -0.12 0.20 0.57 0.93 -1.51 0.00 0.00 179.97 180.04 2oo6 h GLU 154 N -0.04 0.96 0.00 0.20 5.08 -0.42 -1.86 114.58 118.50 2oo6 h GLU 154 Ca 0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2oo6 h GLU 154 Cb 0.14 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2oo6 h GLU 154 CO -0.00 0.63 0.00 0.54 -1.00 0.00 0.00 179.01 179.18 2oo6 n ARG 155 N -4.62 0.98 -1.54 2.33 1.74 -0.05 -4.89 116.66 110.61 2oo6 n ARG 155 Ca 0.15 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.14 2oo6 n ARG 155 Cb 0.25 -1.31 -0.03 0.00 -1.02 0.00 0.00 32.46 30.35 2oo6 n ARG 155 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2oo6 n GLN 156 N -0.81 -0.69 -2.67 5.56 1.13 -0.70 -4.63 117.38 114.57 2oo6 n GLN 156 Ca 0.15 0.72 -0.38 0.00 -1.94 0.00 0.00 57.00 55.56 2oo6 n GLN 156 Cb 0.07 -4.66 -0.05 0.00 0.11 0.00 0.00 30.24 25.70 2oo6 n GLN 156 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2oo6 s PHE 157 N -2.39 3.59 -1.10 1.08 0.08 -0.61 -2.38 117.98 116.25 2oo6 s PHE 157 Ca 0.00 1.75 0.21 0.00 0.12 0.00 0.00 56.93 59.01 2oo6 s PHE 157 Cb 0.00 -3.03 -0.20 0.00 -0.57 0.00 0.00 43.02 39.22 2oo6 s PHE 157 CO 0.00 -0.09 0.91 0.54 -0.10 0.00 0.00 175.22 176.48 2oo6 n ARG 158 N 0.56 0.22 -3.53 0.44 1.74 -1.26 -4.49 116.66 110.33 2oo6 n ARG 158 Ca 0.02 -0.11 -0.17 0.00 -0.77 0.00 0.00 57.85 56.82 2oo6 n ARG 158 Cb 0.49 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.38 2oo6 n ARG 158 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2oo6 s ALA 159 N -2.91 -1.78 0.02 7.54 0.00 -1.26 -1.06 121.76 122.31 2oo6 s ALA 159 Ca 0.09 1.41 0.01 0.00 0.00 0.00 0.00 51.96 53.47 2oo6 s ALA 159 Cb 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 2oo6 s ALA 159 CO 0.83 -0.36 -0.04 0.96 0.00 0.00 0.00 175.76 177.14 2oo6 s ILE 160 N -1.01 0.24 -0.09 0.00 -4.36 -0.47 -0.96 121.20 114.55 2oo6 s ILE 160 Ca -0.09 -0.86 0.04 0.00 -0.26 0.00 0.00 60.65 59.47 2oo6 s ILE 160 Cb -0.01 -0.34 0.00 0.00 1.25 0.00 0.00 42.46 43.36 2oo6 s ILE 160 CO 0.09 -0.40 -0.21 -0.75 0.24 0.00 0.00 174.94 173.90 2oo6 s LYS 161 N -1.33 2.74 0.48 0.37 2.20 -0.48 -0.36 119.74 123.36 2oo6 s LYS 161 Ca -0.12 -0.77 0.03 0.00 -0.36 0.00 0.00 55.97 54.75 2oo6 s LYS 161 Cb -0.09 -2.10 -0.04 0.00 -1.51 0.00 0.00 37.83 34.10 2oo6 s LYS 161 CO -0.00 0.14 0.01 -0.08 -0.36 0.00 0.00 175.35 175.05 2oo6 s THR 162 N 0.43 1.45 0.00 3.43 -1.32 -0.85 0.04 115.64 118.82 2oo6 s THR 162 Ca -0.18 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.31 2oo6 s THR 162 Cb -0.17 -2.45 0.00 0.00 -1.51 0.00 0.00 72.50 68.36 2oo6 s THR 162 CO 0.08 0.00 0.00 0.59 -2.21 0.00 0.00 174.62 173.08 2oo6 n ASN 163 N -1.17 0.56 -4.65 8.08 4.13 -1.26 -1.06 115.26 119.89 2oo6 n ASN 163 Ca -0.14 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.76 2oo6 n ASN 163 Cb 0.67 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.81 2oo6 n ASN 163 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2oo6 s ILE 164 N 1.42 5.21 -0.02 2.41 1.01 -1.26 -4.83 121.20 125.13 2oo6 s ILE 164 Ca 0.00 0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.81 2oo6 s ILE 164 Cb 0.00 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.05 2oo6 s ILE 164 CO 0.00 0.37 -0.13 -0.36 0.00 0.00 0.00 174.94 174.82 2oo6 s PHE 165 N 0.92 1.27 -0.33 3.97 0.08 -1.26 -1.67 117.98 120.96 2oo6 s PHE 165 Ca 0.07 -0.29 -0.12 0.00 0.12 0.00 0.00 56.93 56.70 2oo6 s PHE 165 Cb -0.13 -0.85 -0.02 0.00 -0.57 0.00 0.00 43.02 41.45 2oo6 s PHE 165 CO 0.03 -0.08 0.22 0.42 -0.10 0.00 0.00 175.22 175.72 2oo6 s ILE 166 N -0.10 5.16 -0.14 0.64 -1.09 -0.20 -4.26 121.20 121.22 2oo6 s ILE 166 Ca 0.01 -0.25 0.15 0.00 -2.23 0.00 0.00 60.65 58.33 2oo6 s ILE 166 Cb -0.08 -3.65 -0.22 0.00 -1.58 0.00 0.00 42.46 36.94 2oo6 s ILE 166 CO 0.00 0.01 0.12 1.41 -1.23 0.00 0.00 174.94 175.25 2oo6 n HIS 167 N 5.08 0.00 -1.32 3.97 8.25 -1.26 -2.27 115.22 127.67 2oo6 n HIS 167 Ca -0.13 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.21 2oo6 n HIS 167 Cb 0.50 -0.75 0.20 0.00 1.12 0.00 0.00 29.99 31.06 2oo6 n HIS 167 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2oo6 n ASP 168 N -2.53 3.23 -3.15 0.41 5.68 -1.26 -4.71 116.55 114.23 2oo6 n ASP 168 Ca -0.23 -3.64 -0.22 0.00 -0.50 0.00 0.00 54.79 50.20 2oo6 n ASP 168 Cb 0.94 -0.73 -0.05 0.00 -1.14 0.00 0.00 41.12 40.14 2oo6 n ASP 168 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2oo6 n ASP 169 N -1.04 -0.02 0.00 -1.12 2.03 -1.26 -5.10 116.55 110.03 2oo6 n ASP 169 Ca 0.45 -2.79 0.00 0.00 0.52 0.00 0.00 54.79 52.96 2oo6 n ASP 169 Cb 1.33 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 41.32 2oo6 n ASP 169 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2oo6 n GLY 170 N 1.27 -1.59 3.67 0.27 0.00 -1.26 -4.90 105.19 102.65 2oo6 n GLY 170 Ca 0.20 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 2oo6 n GLY 170 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2oo6 n PRO 171 N 0.00 1.81 -1.64 1.61 -0.02 -1.26 -4.86 135.00 130.64 2oo6 n PRO 171 Ca 0.00 0.64 -0.53 0.00 -2.02 0.00 0.00 63.50 61.59 2oo6 n PRO 171 Cb 0.00 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.16 2oo6 n PRO 171 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2oo6 n LEU 172 N 0.49 2.15 -3.81 2.45 7.94 -1.26 -4.92 117.00 120.04 2oo6 n LEU 172 Ca 0.07 1.09 -0.11 0.00 -1.11 0.00 0.00 56.01 55.95 2oo6 n LEU 172 Cb 0.38 -1.21 -0.08 0.00 0.53 0.00 0.00 43.42 43.04 2oo6 n LEU 172 CO 0.59 -0.71 -0.06 -1.38 -1.11 0.00 0.00 177.39 174.73 2oo6 s HIS 173 N 1.74 -0.01 0.46 1.96 -3.43 -0.96 -5.02 115.29 110.03 2oo6 s HIS 173 Ca 0.89 -0.17 -0.21 0.00 -0.80 0.00 0.00 55.06 54.77 2oo6 s HIS 173 Cb -0.94 0.02 -0.10 0.00 -1.43 0.00 0.00 32.58 30.12 2oo6 s HIS 173 CO 0.52 -0.45 0.99 0.00 -2.00 0.00 0.00 174.74 173.81 2oo6 s ALA 174 N -2.46 2.96 -0.34 -1.38 0.00 -1.26 -1.03 121.76 118.24 2oo6 s ALA 174 Ca -0.06 0.50 -0.03 0.00 0.00 0.00 0.00 51.96 52.37 2oo6 s ALA 174 Cb -0.01 -3.20 0.07 0.00 0.00 0.00 0.00 23.12 19.98 2oo6 s ALA 174 CO -0.03 -0.08 0.08 -0.46 0.00 0.00 0.00 175.76 175.27 2oo6 s TRP 175 N -2.09 3.39 -0.34 0.00 -0.11 -0.67 -4.80 118.94 114.32 2oo6 s TRP 175 Ca 0.64 -2.04 0.16 0.00 1.22 0.00 0.00 56.10 56.08 2oo6 s TRP 175 Cb -0.12 -2.54 0.45 0.00 -1.50 0.00 0.00 33.47 29.76 2oo6 s TRP 175 CO 0.16 -0.86 0.98 0.54 -4.62 0.00 0.00 176.95 173.16 2oo6 n ARG 176 N 4.62 1.59 0.26 5.86 1.74 0.71 -4.59 116.66 126.85 2oo6 n ARG 176 Ca -0.09 -3.49 0.12 0.00 -0.77 0.00 0.00 57.85 53.62 2oo6 n ARG 176 Cb 0.43 -1.44 0.71 0.00 -1.02 0.00 0.00 32.46 31.14 2oo6 n ARG 176 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2oo6 h PRO 177 N 2.91 0.00 -0.16 5.56 0.13 -1.71 0.44 132.00 139.17 2oo6 h PRO 177 Ca -0.02 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.15 2oo6 h PRO 177 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2oo6 h PRO 177 CO 0.56 0.12 0.14 0.78 -0.23 0.00 0.00 178.00 179.38 2oo6 h GLY 178 N 0.83 0.00 -1.84 1.56 0.00 -1.82 -0.38 103.07 101.42 2oo6 h GLY 178 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.25 2oo6 h GLY 178 CO 0.02 0.00 0.01 0.69 0.00 0.00 0.00 176.54 177.25 2oo6 n PHE 179 N -4.11 1.09 -1.56 5.60 3.72 0.09 -4.96 117.46 117.33 2oo6 n PHE 179 Ca 0.01 -1.13 -0.11 0.00 -0.05 0.00 0.00 57.45 56.18 2oo6 n PHE 179 Cb 0.27 -0.39 -0.04 0.00 -0.94 0.00 0.00 39.48 38.38 2oo6 n PHE 179 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2oo6 n ALA 180 N -0.71 -0.21 -3.79 4.37 0.00 -0.15 -4.97 120.51 115.05 2oo6 n ALA 180 Ca 0.26 0.15 -0.30 0.00 0.00 0.00 0.00 53.44 53.56 2oo6 n ALA 180 Cb 0.97 -1.34 -0.14 0.00 0.00 0.00 0.00 19.45 18.95 2oo6 n ALA 180 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2oo6 s VAL 181 N -2.44 1.69 0.70 0.00 1.01 -0.87 -2.51 120.40 117.98 2oo6 s VAL 181 Ca 0.00 -2.61 -0.10 0.00 0.00 0.00 0.00 61.98 59.27 2oo6 s VAL 181 Cb 0.00 -2.19 0.03 0.00 0.00 0.00 0.00 36.38 34.22 2oo6 s VAL 181 CO 0.00 -0.83 1.07 -2.16 0.00 0.00 0.00 175.10 173.18 2oo6 s PRO 182 N 0.36 2.69 -0.68 2.72 0.04 -1.26 -0.21 135.00 138.66 2oo6 s PRO 182 Ca 0.16 0.28 -0.27 0.00 0.04 0.00 0.00 61.00 61.21 2oo6 s PRO 182 Cb -0.24 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.25 2oo6 s PRO 182 CO -0.03 -1.08 1.51 0.12 0.04 0.00 0.00 177.00 177.57 2oo6 s PHE 183 N -3.32 2.04 -0.45 0.56 5.36 -1.04 -4.20 117.98 116.92 2oo6 s PHE 183 Ca 0.58 0.30 0.05 0.00 -0.96 0.00 0.00 56.93 56.90 2oo6 s PHE 183 Cb -0.11 -4.41 0.19 0.00 -0.34 0.00 0.00 43.02 38.35 2oo6 s PHE 183 CO 0.50 -2.17 0.52 1.04 -1.46 0.00 0.00 175.22 173.64 2oo6 n GLN 184 N 9.28 0.37 0.10 10.12 6.02 -1.26 -5.04 117.38 136.97 2oo6 n GLN 184 Ca 0.10 -2.71 0.11 0.00 -0.01 0.00 0.00 57.00 54.49 2oo6 n GLN 184 Cb 0.50 -1.56 0.45 0.00 1.02 0.00 0.00 30.24 30.65 2oo6 n GLN 184 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2oo6 n PRO 185 N 2.72 0.15 0.28 -1.09 -0.04 -1.26 -1.41 135.00 134.35 2oo6 n PRO 185 Ca 0.24 0.38 0.16 0.00 -0.04 0.00 0.00 63.50 64.24 2oo6 n PRO 185 Cb 0.52 -1.78 0.77 0.00 -0.04 0.00 0.00 33.50 32.97 2oo6 n PRO 185 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2oo6 h ALA 186 N 2.32 1.11 -4.55 0.55 0.00 -1.96 -3.47 119.26 113.25 2oo6 h ALA 186 Ca 0.00 -0.07 -0.40 0.00 0.00 0.00 0.00 54.91 54.44 2oo6 h ALA 186 Cb 0.33 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.16 2oo6 h ALA 186 CO 0.00 0.09 -0.60 1.28 0.00 0.00 0.00 179.25 180.02 2oo6 n LEU 187 N -3.33 -2.55 -4.77 0.00 4.77 -0.50 -4.68 117.00 105.93 2oo6 n LEU 187 Ca -0.01 -0.29 -0.36 0.00 -0.03 0.00 0.00 56.01 55.32 2oo6 n LEU 187 Cb 0.25 -2.89 0.00 0.00 -2.33 0.00 0.00 43.42 38.45 2oo6 n LEU 187 CO 0.28 0.22 0.80 0.20 -1.33 0.00 0.00 177.39 177.56 2oo6 s ASN 188 N -2.69 5.84 -0.19 -1.43 0.01 -1.26 -3.94 114.94 111.27 2oo6 s ASN 188 Ca 0.31 2.24 -0.04 0.00 -0.71 0.00 0.00 52.86 54.65 2oo6 s ASN 188 Cb -0.14 -2.59 -0.02 0.00 0.41 0.00 0.00 41.25 38.91 2oo6 s ASN 188 CO 0.38 -1.14 -0.02 -0.69 -1.51 0.00 0.00 177.10 174.12 2oo6 s VAL 189 N -1.68 3.80 0.34 1.60 1.01 -1.26 -5.03 120.40 119.18 2oo6 s VAL 189 Ca 0.70 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.32 2oo6 s VAL 189 Cb -0.26 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.42 2oo6 s VAL 189 CO 0.30 0.44 0.05 -0.90 0.00 0.00 0.00 175.10 174.99 2oo6 n ASP 190 N 4.20 2.81 -0.30 3.32 5.68 -1.26 -5.01 116.55 125.99 2oo6 n ASP 190 Ca -0.17 -2.45 0.03 0.00 -0.50 0.00 0.00 54.79 51.69 2oo6 n ASP 190 Cb 0.52 0.19 0.22 0.00 -1.14 0.00 0.00 41.12 40.91 2oo6 n ASP 190 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2oo6 h ARG 191 N 0.00 1.04 -0.11 0.11 3.08 -1.99 -2.08 114.38 114.42 2oo6 h ARG 191 Ca -0.27 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 59.73 2oo6 h ARG 191 Cb 0.85 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2oo6 h ARG 191 CO 0.45 0.69 0.03 -0.22 -1.07 0.00 0.00 179.97 179.84 2oo6 h LYS 192 N 1.07 0.07 -0.49 0.04 3.64 -1.99 0.20 116.57 119.12 2oo6 h LYS 192 Ca 0.37 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.80 2oo6 h LYS 192 Cb 0.10 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 2oo6 h LYS 192 CO -0.12 0.05 0.20 0.28 -2.27 0.00 0.00 179.45 177.58 2oo6 h VAL 193 N 0.08 0.88 -0.22 2.00 2.07 -1.84 -2.03 116.25 117.17 2oo6 h VAL 193 Ca 0.05 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 2oo6 h VAL 193 Cb 0.04 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 2oo6 h VAL 193 CO -0.06 0.07 -0.06 -0.07 0.02 0.00 0.00 177.57 177.46 2oo6 h LEU 194 N 0.39 0.44 -1.06 2.57 3.38 -0.69 -1.07 115.31 119.28 2oo6 h LEU 194 Ca 0.23 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2oo6 h LEU 194 Cb 0.21 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2oo6 h LEU 194 CO -0.21 0.72 0.47 -0.09 0.09 0.00 0.00 178.44 179.41 2oo6 h ARG 195 N 0.17 1.12 -0.10 1.13 2.43 -0.57 -1.72 114.38 116.84 2oo6 h ARG 195 Ca 0.06 -0.11 -0.23 0.00 -0.81 0.00 0.00 59.98 58.88 2oo6 h ARG 195 Cb 0.53 -0.23 0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2oo6 h ARG 195 CO 0.02 0.80 -0.83 -0.91 -1.51 0.00 0.00 179.97 177.55 2oo6 h ASN 196 N 1.13 0.90 -0.33 -3.80 2.35 -1.25 -0.45 115.58 114.14 2oo6 h ASN 196 Ca 0.29 -0.67 0.07 0.00 -0.55 0.00 0.00 56.30 55.44 2oo6 h ASN 196 Cb -0.01 -0.27 -0.06 0.00 0.05 0.00 0.00 38.32 38.03 2oo6 h ASN 196 CO -0.05 1.43 -0.09 -0.07 -1.65 0.00 0.00 177.43 177.00 2oo6 h LEU 197 N 0.44 -0.34 -0.13 1.61 3.38 -1.06 0.39 115.31 119.60 2oo6 h LEU 197 Ca -0.08 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2oo6 h LEU 197 Cb 1.47 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 2oo6 h LEU 197 CO 0.17 -0.12 0.05 -0.09 0.09 0.00 0.00 178.44 178.53 2oo6 h ARG 198 N -0.02 0.11 -0.71 1.13 2.43 -1.19 -0.92 114.38 115.21 2oo6 h ARG 198 Ca 0.16 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 2oo6 h ARG 198 Cb 0.26 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 2oo6 h ARG 198 CO -0.35 0.07 0.45 0.00 -1.51 0.00 0.00 179.97 178.64 2oo6 h ALA 199 N 1.08 0.93 -0.09 2.80 0.00 -0.80 0.30 119.26 123.48 2oo6 h ALA 199 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2oo6 h ALA 199 Cb 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2oo6 h ALA 199 CO -0.05 0.24 -0.01 1.25 0.00 0.00 0.00 179.25 180.67 2oo6 h HIS 200 N 0.88 0.18 -0.28 0.00 -0.00 -0.70 -2.32 115.15 112.91 2oo6 h HIS 200 Ca 0.28 -0.04 -0.12 0.00 -0.00 0.00 0.00 60.37 60.50 2oo6 h HIS 200 Cb 0.00 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 2oo6 h HIS 200 CO -0.04 0.45 -0.33 -0.07 -0.00 0.00 0.00 177.93 177.94 2oo6 h LEU 201 N -0.14 0.63 -0.44 0.26 3.38 -0.99 -1.34 115.31 116.68 2oo6 h LEU 201 Ca 0.02 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.76 2oo6 h LEU 201 Cb 0.38 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2oo6 h LEU 201 CO 0.01 0.91 0.25 -0.33 0.09 0.00 0.00 178.44 179.38 2oo6 h GLU 202 N 0.52 0.50 -0.29 1.13 5.08 -0.90 0.10 114.58 120.71 2oo6 h GLU 202 Ca 0.06 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2oo6 h GLU 202 Cb 0.82 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2oo6 h GLU 202 CO 0.07 0.33 0.15 0.00 -1.00 0.00 0.00 179.01 178.56 2oo6 h ALA 203 N 1.20 0.36 -0.13 3.43 0.00 -1.19 -1.06 119.26 121.86 2oo6 h ALA 203 Ca 0.18 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2oo6 h ALA 203 Cb 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2oo6 h ALA 203 CO -0.09 -0.23 0.08 1.25 0.00 0.00 0.00 179.25 180.27 2oo6 h LEU 204 N 0.31 0.16 -0.77 0.00 5.85 -0.95 -2.16 115.31 117.74 2oo6 h LEU 204 Ca 0.12 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2oo6 h LEU 204 Cb 0.03 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 2oo6 h LEU 204 CO -0.08 0.14 0.47 -0.09 -0.34 0.00 0.00 178.44 178.54 2oo6 h ARG 205 N 0.16 0.86 -0.41 1.25 9.65 -0.68 0.27 114.38 125.47 2oo6 h ARG 205 Ca 0.05 -0.05 0.06 0.00 -1.10 0.00 0.00 59.98 58.93 2oo6 h ARG 205 Cb 0.01 -0.19 -0.05 0.00 -1.39 0.00 0.00 29.97 28.34 2oo6 h ARG 205 CO -0.01 0.57 0.12 0.22 2.80 0.00 0.00 179.97 183.67 2oo6 h ASP 206 N 0.89 0.08 0.24 -3.80 3.58 -0.89 -1.76 116.42 114.77 2oo6 h ASP 206 Ca 0.33 0.06 -0.18 0.00 0.42 0.00 0.00 57.03 57.65 2oo6 h ASP 206 Cb 0.12 0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.22 2oo6 h ASP 206 CO -0.15 0.08 -0.72 1.23 -2.88 0.00 0.00 179.24 176.80 2oo6 h GLY 207 N 0.26 0.46 2.00 -0.78 0.00 -0.95 -3.30 103.07 100.76 2oo6 h GLY 207 Ca 0.20 -0.64 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 2oo6 h GLY 207 CO -0.23 0.57 -0.42 0.00 0.00 0.00 0.00 176.54 176.46 2oo6 h ALA 208 N 0.93 1.28 -0.34 3.60 0.00 -0.07 -3.07 119.26 121.60 2oo6 h ALA 208 Ca -0.03 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2oo6 h ALA 208 Cb 1.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2oo6 h ALA 208 CO 0.12 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.31 2oo6 n GLY 209 N -0.29 -1.39 0.01 0.00 0.00 -0.70 -3.99 105.19 98.82 2oo6 n GLY 209 Ca -0.02 -1.26 0.11 0.00 0.00 0.00 0.00 46.02 44.84 2oo6 n GLY 209 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2oo6 n PRO 210 N -0.23 0.12 -0.17 1.61 -0.04 -1.26 -4.23 135.00 130.80 2oo6 n PRO 210 Ca 0.00 -0.02 0.07 0.00 -0.04 0.00 0.00 63.50 63.51 2oo6 n PRO 210 Cb 0.00 -1.52 0.16 0.00 -0.04 0.00 0.00 33.50 32.11 2oo6 n PRO 210 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2oo6 n ASP 211 N -1.65 2.93 -4.53 3.54 8.00 -1.26 -4.87 116.55 118.71 2oo6 n ASP 211 Ca 0.03 -1.90 -0.35 0.00 0.71 0.00 0.00 54.79 53.29 2oo6 n ASP 211 Cb 0.37 -0.22 -0.11 0.00 -0.02 0.00 0.00 41.12 41.14 2oo6 n ASP 211 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2oo6 s VAL 212 N -1.05 4.28 0.31 2.53 1.01 -1.26 -4.88 120.40 121.35 2oo6 s VAL 212 Ca 0.26 -0.21 -0.25 0.00 0.00 0.00 0.00 61.98 61.78 2oo6 s VAL 212 Cb 0.14 -2.93 -0.10 0.00 0.00 0.00 0.00 36.38 33.50 2oo6 s VAL 212 CO 0.20 0.44 0.91 -1.61 0.00 0.00 0.00 175.10 175.04 2oo6 s GLU 213 N 0.69 4.53 -0.14 2.72 0.41 -0.22 -4.85 118.70 121.84 2oo6 s GLU 213 Ca 0.01 1.26 0.00 0.00 -0.41 0.00 0.00 54.97 55.83 2oo6 s GLU 213 Cb -0.14 -2.80 -0.01 0.00 -1.78 0.00 0.00 34.13 29.40 2oo6 s GLU 213 CO 0.02 0.29 -0.14 0.42 -0.49 0.00 0.00 175.26 175.36 2oo6 s ILE 214 N -1.61 2.86 -0.03 -1.63 1.01 -1.26 -1.36 121.20 119.17 2oo6 s ILE 214 Ca 0.49 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.43 2oo6 s ILE 214 Cb -0.18 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.06 2oo6 s ILE 214 CO 0.23 0.52 -0.03 -0.76 0.00 0.00 0.00 174.94 174.90 2oo6 s LEU 215 N 0.54 3.38 -0.15 2.97 1.02 0.52 -0.90 118.68 126.06 2oo6 s LEU 215 Ca -0.09 -0.01 0.01 0.00 0.02 0.00 0.00 54.13 54.06 2oo6 s LEU 215 Cb -0.16 -1.86 0.02 0.00 0.02 0.00 0.00 46.19 44.21 2oo6 s LEU 215 CO 0.04 0.32 -0.18 -0.22 0.02 0.00 0.00 176.35 176.33 2oo6 s LEU 216 N -1.23 1.92 -0.27 1.79 2.96 -0.52 -2.00 118.68 121.33 2oo6 s LEU 216 Ca 0.16 -0.55 -0.07 0.00 -0.22 0.00 0.00 54.13 53.45 2oo6 s LEU 216 Cb -0.11 -1.32 -0.01 0.00 0.50 0.00 0.00 46.19 45.25 2oo6 s LEU 216 CO 0.06 0.00 0.07 -0.62 -1.32 0.00 0.00 176.35 174.55 2oo6 s ASP 217 N 1.19 5.08 0.00 3.68 -1.08 -0.22 -0.12 116.67 125.19 2oo6 s ASP 217 Ca 0.00 -0.45 0.23 0.00 -0.52 0.00 0.00 52.55 51.82 2oo6 s ASP 217 Cb -0.14 -1.89 0.10 0.00 -1.46 0.00 0.00 42.92 39.53 2oo6 s ASP 217 CO -0.08 -0.11 1.14 0.18 0.52 0.00 0.00 175.17 176.82 2oo6 n LEU 218 N 4.90 1.25 0.00 -1.34 4.77 0.58 -4.23 117.00 122.93 2oo6 n LEU 218 Ca -0.16 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 2oo6 n LEU 218 Cb 0.50 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2oo6 n LEU 218 CO 0.31 0.26 0.00 0.59 -1.33 0.00 0.00 177.39 177.22 2oo6 n ASN 219 N -0.90 0.00 -1.87 -1.43 4.13 -1.21 -1.21 115.26 112.77 2oo6 n ASN 219 Ca 0.07 0.00 -0.18 0.00 1.68 0.00 0.00 54.58 56.15 2oo6 n ASN 219 Cb 0.38 0.00 0.18 0.00 -1.54 0.00 0.00 39.78 38.80 2oo6 n ASN 219 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2oo6 n PHE 220 N 14.00 2.41 1.25 3.10 3.72 -1.26 -1.08 117.46 139.59 2oo6 n PHE 220 Ca 0.00 -1.85 0.06 0.00 -0.05 0.00 0.00 57.45 55.61 2oo6 n PHE 220 Cb 0.00 -0.82 0.23 0.00 -0.94 0.00 0.00 39.48 37.95 2oo6 n PHE 220 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2oo6 n ASN 221 N -1.12 1.36 -3.21 4.37 3.02 -0.35 -4.09 115.26 115.25 2oo6 n ASN 221 Ca 0.51 -1.87 -0.14 0.00 -0.03 0.00 0.00 54.58 53.05 2oo6 n ASN 221 Cb 1.39 -0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 40.38 2oo6 n ASN 221 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2oo6 s ALA 222 N -1.72 0.61 0.32 5.41 0.00 -1.26 -4.61 121.76 120.51 2oo6 s ALA 222 Ca 0.23 -1.44 0.07 0.00 0.00 0.00 0.00 51.96 50.82 2oo6 s ALA 222 Cb 0.12 1.10 -0.02 0.00 0.00 0.00 0.00 23.12 24.32 2oo6 s ALA 222 CO 0.17 -0.81 0.36 0.15 0.00 0.00 0.00 175.76 175.62 2oo6 s LYS 223 N -2.98 2.98 0.33 0.00 -0.14 -1.25 -4.92 119.74 113.76 2oo6 s LYS 223 Ca 0.29 -1.10 0.07 0.00 -1.36 0.00 0.00 55.97 53.87 2oo6 s LYS 223 Cb -0.01 -2.66 0.93 0.00 -1.68 0.00 0.00 37.83 34.41 2oo6 s LYS 223 CO 0.19 0.15 1.57 -2.30 -0.76 0.00 0.00 175.35 174.20 2oo6 n PRO 224 N -1.46 -0.07 -0.15 -1.68 -0.02 -1.26 0.40 135.00 130.75 2oo6 n PRO 224 Ca -0.03 1.46 -0.03 0.00 -2.02 0.00 0.00 63.50 62.89 2oo6 n PRO 224 Cb 0.59 -2.40 0.04 0.00 -0.02 0.00 0.00 33.50 31.71 2oo6 n PRO 224 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2oo6 h GLU 225 N 0.00 0.04 -0.10 -0.52 4.81 -1.97 -1.37 114.58 115.48 2oo6 h GLU 225 Ca 0.67 -0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.72 2oo6 h GLU 225 Cb 1.53 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.89 2oo6 h GLU 225 CO -0.89 0.03 -0.69 0.78 -0.73 0.00 0.00 179.01 177.51 2oo6 h GLY 226 N 0.04 0.46 1.04 1.92 0.00 -0.40 -2.47 103.07 103.67 2oo6 h GLY 226 Ca 0.24 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 2oo6 h GLY 226 CO -0.46 0.55 0.18 -0.97 0.00 0.00 0.00 176.54 175.84 2oo6 h TYR 227 N 0.29 1.11 -0.64 5.60 0.05 -0.61 -1.19 116.97 121.58 2oo6 h TYR 227 Ca -0.02 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.62 2oo6 h TYR 227 Cb 1.25 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 38.64 2oo6 h TYR 227 CO 0.04 0.91 0.36 -0.07 -1.05 0.00 0.00 178.16 178.35 2oo6 h LEU 228 N 1.00 0.79 -0.64 3.88 3.38 -1.19 0.05 115.31 122.58 2oo6 h LEU 228 Ca 0.21 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2oo6 h LEU 228 Cb 0.34 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2oo6 h LEU 228 CO -0.00 0.65 0.40 0.11 0.09 0.00 0.00 178.44 179.69 2oo6 h LYS 229 N 0.88 0.77 -0.14 1.13 1.57 -1.11 -0.68 116.57 118.98 2oo6 h LYS 229 Ca 0.23 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2oo6 h LYS 229 Cb 0.02 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2oo6 h LYS 229 CO -0.04 0.51 0.09 0.82 -0.57 0.00 0.00 179.45 180.26 2oo6 h ILE 230 N 0.80 1.07 -0.73 1.86 2.04 -0.51 -1.17 117.51 120.87 2oo6 h ILE 230 Ca 0.25 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 2oo6 h ILE 230 Cb -0.01 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2oo6 h ILE 230 CO -0.09 0.06 0.35 -0.07 0.00 0.00 0.00 178.15 178.40 2oo6 h LEU 231 N 0.16 0.95 -0.47 1.44 3.38 -0.69 -1.24 115.31 118.84 2oo6 h LEU 231 Ca 0.05 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 2oo6 h LEU 231 Cb 0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2oo6 h LEU 231 CO -0.01 0.82 -0.00 0.03 0.09 0.00 0.00 178.44 179.36 2oo6 h ARG 232 N 1.02 0.83 -0.68 1.13 3.08 -1.03 -1.04 114.38 117.69 2oo6 h ARG 232 Ca 0.25 -0.27 0.01 0.00 0.07 0.00 0.00 59.98 60.04 2oo6 h ARG 232 Cb 0.12 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2oo6 h ARG 232 CO -0.03 0.88 0.45 1.49 -1.07 0.00 0.00 179.97 181.69 2oo6 h GLU 233 N 0.68 0.89 -0.49 0.04 4.57 -0.83 -2.87 114.58 116.58 2oo6 h GLU 233 Ca 0.13 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.23 2oo6 h GLU 233 Cb 0.51 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 2oo6 h GLU 233 CO 0.03 0.59 0.03 1.28 -1.18 0.00 0.00 179.01 179.76 2oo6 n LEU 234 N -4.43 5.19 0.16 1.64 4.77 -0.50 -4.56 117.00 119.26 2oo6 n LEU 234 Ca 0.07 -3.02 0.09 0.00 -0.03 0.00 0.00 56.01 53.13 2oo6 n LEU 234 Cb 0.04 -0.65 0.60 0.00 -2.33 0.00 0.00 43.42 41.08 2oo6 n LEU 234 CO 0.36 0.68 1.11 0.00 -1.33 0.00 0.00 177.39 178.21 2oo6 h ALA 235 N 3.10 2.03 -0.27 -1.18 0.00 -0.97 -2.10 119.26 119.88 2oo6 h ALA 235 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2oo6 h ALA 235 Cb 1.86 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2oo6 h ALA 235 CO 0.44 -0.06 0.00 -0.25 0.00 0.00 0.00 179.25 179.38 2oo6 n ASP 236 N -4.50 2.77 -4.82 0.00 8.00 -1.26 -4.90 116.55 111.84 2oo6 n ASP 236 Ca 0.01 -1.89 -0.33 0.00 0.71 0.00 0.00 54.79 53.29 2oo6 n ASP 236 Cb 0.18 -0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 2oo6 n ASP 236 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2oo6 s PHE 237 N -1.66 3.28 -0.48 1.24 0.08 -0.79 -5.04 117.98 114.61 2oo6 s PHE 237 Ca 0.35 1.60 -0.15 0.00 0.12 0.00 0.00 56.93 58.85 2oo6 s PHE 237 Cb 0.21 -2.87 0.08 0.00 -0.57 0.00 0.00 43.02 39.86 2oo6 s PHE 237 CO 0.30 -0.22 0.40 0.34 -0.10 0.00 0.00 175.22 175.94 2oo6 s ASP 238 N -2.20 6.14 -0.12 1.36 2.15 -1.26 -5.02 116.67 117.72 2oo6 s ASP 238 Ca 0.63 -1.37 0.03 0.00 0.43 0.00 0.00 52.55 52.26 2oo6 s ASP 238 Cb -0.10 -2.18 0.00 0.00 -0.30 0.00 0.00 42.92 40.34 2oo6 s ASP 238 CO 0.15 -0.66 -0.23 -0.76 -0.17 0.00 0.00 175.17 173.50 2oo6 s LEU 239 N 1.63 2.13 0.16 -1.34 1.43 -1.26 -4.50 118.68 116.93 2oo6 s LEU 239 Ca 0.04 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.44 2oo6 s LEU 239 Cb -0.25 -1.43 0.05 0.00 0.03 0.00 0.00 46.19 44.59 2oo6 s LEU 239 CO 0.06 0.13 1.77 0.15 0.23 0.00 0.00 176.35 178.70 2oo6 h PHE 240 N 6.92 0.69 -3.18 0.29 3.57 -1.39 -3.41 116.94 120.42 2oo6 h PHE 240 Ca -0.24 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.21 2oo6 h PHE 240 Cb 1.22 -0.22 -0.12 0.00 2.79 0.00 0.00 35.95 39.62 2oo6 h PHE 240 CO 0.47 0.51 0.08 1.67 -2.23 0.00 0.00 178.31 178.80 2oo6 s TRP 241 N -5.87 -0.38 -0.17 0.41 -2.14 -1.26 -4.53 118.94 105.00 2oo6 s TRP 241 Ca -0.13 0.12 -0.00 0.00 2.66 0.00 0.00 56.10 58.75 2oo6 s TRP 241 Cb 0.12 0.42 0.00 0.00 -3.10 0.00 0.00 33.47 30.91 2oo6 s TRP 241 CO 0.75 -0.78 -0.15 0.08 -2.66 0.00 0.00 176.95 174.19 2oo6 s VAL 242 N -3.77 2.61 -0.22 -0.66 1.01 -0.05 -1.44 120.40 117.88 2oo6 s VAL 242 Ca 0.02 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 2oo6 s VAL 242 Cb 0.00 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 2oo6 s VAL 242 CO -0.12 0.51 0.09 -0.70 0.00 0.00 0.00 175.10 174.87 2oo6 s GLU 243 N 0.99 3.90 -0.15 2.72 2.12 0.82 -1.57 118.70 127.54 2oo6 s GLU 243 Ca -0.02 -0.37 -0.03 0.00 0.36 0.00 0.00 54.97 54.91 2oo6 s GLU 243 Cb -0.15 -3.33 0.05 0.00 0.26 0.00 0.00 34.13 30.96 2oo6 s GLU 243 CO -0.03 0.08 0.04 0.42 -0.54 0.00 0.00 175.26 175.22 2oo6 s ILE 244 N 0.93 0.35 0.02 -3.70 1.01 -0.44 -0.30 121.20 119.07 2oo6 s ILE 244 Ca 0.05 -0.25 -0.21 0.00 0.00 0.00 0.00 60.65 60.23 2oo6 s ILE 244 Cb -0.14 -0.77 -0.06 0.00 0.01 0.00 0.00 42.46 41.51 2oo6 s ILE 244 CO 0.03 -0.06 0.63 -1.81 0.00 0.00 0.00 174.94 173.72 2oo6 s ASP 245 N 1.95 7.04 -0.16 3.58 1.01 -0.24 -4.46 116.67 125.39 2oo6 s ASP 245 Ca 0.02 1.24 -0.22 0.00 0.71 0.00 0.00 52.55 54.29 2oo6 s ASP 245 Cb -0.15 -2.39 0.06 0.00 1.01 0.00 0.00 42.92 41.45 2oo6 s ASP 245 CO -0.07 0.11 0.58 -0.55 0.21 0.00 0.00 175.17 175.45 2oo6 s SER 246 N -0.32 -0.58 -0.16 0.27 0.15 -1.26 -4.41 113.70 107.40 2oo6 s SER 246 Ca 0.32 0.96 0.17 0.00 0.70 0.00 0.00 55.95 58.10 2oo6 s SER 246 Cb -0.19 0.95 0.76 0.00 -1.71 0.00 0.00 66.02 65.84 2oo6 s SER 246 CO 0.19 -0.33 1.68 -1.22 1.20 0.00 0.00 173.24 174.75 2oo6 n TYR 247 N 2.15 1.72 -3.89 3.44 4.01 -1.26 -4.75 117.16 118.57 2oo6 n TYR 247 Ca -0.16 -0.64 -0.32 0.00 -0.16 0.00 0.00 57.90 56.61 2oo6 n TYR 247 Cb 0.56 -0.34 -0.13 0.00 -0.31 0.00 0.00 39.34 39.12 2oo6 n TYR 247 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2oo6 s SER 248 N -0.85 4.75 0.19 7.72 0.15 -1.26 -4.98 113.70 119.42 2oo6 s SER 248 Ca 0.53 -2.65 -0.12 0.00 0.70 0.00 0.00 55.95 54.40 2oo6 s SER 248 Cb 0.36 -1.71 0.20 0.00 -1.71 0.00 0.00 66.02 63.16 2oo6 s SER 248 CO 0.22 -0.34 1.73 -0.65 1.20 0.00 0.00 173.24 175.40 2oo6 h PRO 249 N 7.08 0.27 -0.50 5.44 0.11 -1.91 0.20 132.00 142.69 2oo6 h PRO 249 Ca -0.06 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.11 2oo6 h PRO 249 Cb 0.96 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 31.94 2oo6 h PRO 249 CO 0.66 0.18 0.11 0.37 -0.21 0.00 0.00 178.00 179.11 2oo6 h GLN 250 N 0.28 0.25 -0.16 1.05 4.15 -1.93 -1.04 115.11 117.70 2oo6 h GLN 250 Ca 0.25 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.54 2oo6 h GLN 250 Cb 0.32 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.96 2oo6 h GLN 250 CO -0.30 0.16 -0.38 0.78 -1.93 0.00 0.00 178.83 177.16 2oo6 h GLY 251 N 0.25 0.59 1.01 2.39 0.00 -1.79 -2.14 103.07 103.39 2oo6 h GLY 251 Ca 0.25 -0.73 0.01 0.00 0.00 0.00 0.00 47.33 46.86 2oo6 h GLY 251 CO -0.31 0.65 0.48 -2.00 0.00 0.00 0.00 176.54 175.35 2oo6 h LEU 252 N 0.18 0.85 -1.07 3.11 5.85 -0.59 -1.85 115.31 121.78 2oo6 h LEU 252 Ca -0.00 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2oo6 h LEU 252 Cb 0.99 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 2oo6 h LEU 252 CO 0.08 0.62 0.62 0.00 -0.34 0.00 0.00 178.44 179.42 2oo6 h ALA 253 N 1.26 1.32 -0.39 1.25 0.00 -1.12 0.14 119.26 121.72 2oo6 h ALA 253 Ca 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2oo6 h ALA 253 Cb -0.10 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.29 2oo6 h ALA 253 CO -0.06 0.63 0.21 -0.92 0.00 0.00 0.00 179.25 179.11 2oo6 h TYR 254 N 1.28 0.55 0.14 0.00 3.20 -1.08 0.51 116.97 121.57 2oo6 h TYR 254 Ca 0.35 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.19 2oo6 h TYR 254 Cb -0.14 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 37.95 2oo6 h TYR 254 CO 0.00 0.43 -0.08 0.28 -1.64 0.00 0.00 178.16 177.15 2oo6 h VAL 255 N 0.50 0.83 -0.78 1.81 2.07 -0.62 -2.73 116.25 117.34 2oo6 h VAL 255 Ca 0.14 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.69 2oo6 h VAL 255 Cb 0.07 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 2oo6 h VAL 255 CO -0.02 0.00 0.50 -0.09 0.02 0.00 0.00 177.57 177.98 2oo6 h ARG 256 N -0.21 0.95 -0.03 1.57 2.43 -0.53 -1.14 114.38 117.42 2oo6 h ARG 256 Ca -0.01 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2oo6 h ARG 256 Cb 0.17 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2oo6 h ARG 256 CO 0.02 0.63 0.05 -0.97 -1.51 0.00 0.00 179.97 178.18 2oo6 h ASN 257 N 0.98 0.00 -0.40 -3.80 -1.24 -0.60 0.19 115.58 110.71 2oo6 h ASN 257 Ca 0.31 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.32 2oo6 h ASN 257 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2oo6 h ASN 257 CO -0.11 0.00 0.00 1.41 -1.29 0.00 0.00 177.43 177.44 2oo6 n HIS 258 N -3.56 1.22 -3.63 0.67 8.25 -0.47 -4.99 115.22 112.70 2oo6 n HIS 258 Ca -0.02 -0.75 -0.36 0.00 -0.26 0.00 0.00 57.72 56.32 2oo6 n HIS 258 Cb 0.13 -0.31 -0.07 0.00 1.12 0.00 0.00 29.99 30.85 2oo6 n HIS 258 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2oo6 s SER 259 N -1.40 6.35 0.00 0.41 0.15 0.05 -4.90 113.70 114.36 2oo6 s SER 259 Ca 0.44 0.40 0.28 0.00 0.70 0.00 0.00 55.95 57.77 2oo6 s SER 259 Cb 0.33 -2.14 1.29 0.00 -1.71 0.00 0.00 66.02 63.79 2oo6 s SER 259 CO 0.14 0.15 1.87 -0.81 1.20 0.00 0.00 173.24 175.79 2oo6 n PRO 260 N 3.45 1.42 -4.31 5.44 -0.04 -1.26 -4.87 135.00 134.83 2oo6 n PRO 260 Ca -0.14 -0.62 -0.28 0.00 -0.04 0.00 0.00 63.50 62.42 2oo6 n PRO 260 Cb 0.52 -1.47 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 2oo6 n PRO 260 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2oo6 s HIS 261 N -1.98 2.54 0.30 0.54 3.76 -1.26 -5.05 115.29 114.14 2oo6 s HIS 261 Ca 0.40 -0.26 -0.30 0.00 -0.15 0.00 0.00 55.06 54.75 2oo6 s HIS 261 Cb 0.20 -1.29 -0.12 0.00 1.11 0.00 0.00 32.58 32.48 2oo6 s HIS 261 CO 0.33 0.45 1.53 -2.30 -0.85 0.00 0.00 174.74 173.90 2oo6 n PRO 262 N 0.42 2.54 -4.23 8.40 -0.02 -1.26 -4.83 135.00 136.01 2oo6 n PRO 262 Ca -0.13 0.90 -0.34 0.00 -2.02 0.00 0.00 63.50 61.91 2oo6 n PRO 262 Cb 0.54 -2.64 -0.11 0.00 -0.02 0.00 0.00 33.50 31.27 2oo6 n PRO 262 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2oo6 s ILE 263 N -0.21 4.34 0.21 4.25 -1.09 -1.26 -0.87 121.20 126.57 2oo6 s ILE 263 Ca 0.63 -0.20 0.10 0.00 -2.23 0.00 0.00 60.65 58.95 2oo6 s ILE 263 Cb -0.53 -2.91 -0.04 0.00 -1.58 0.00 0.00 42.46 37.40 2oo6 s ILE 263 CO 0.51 0.50 -0.13 -0.94 -1.23 0.00 0.00 174.94 173.66 2oo6 s SER 264 N 0.15 4.03 0.23 3.58 1.04 -0.61 -0.09 113.70 122.04 2oo6 s SER 264 Ca 0.02 -0.72 -0.18 0.00 0.48 0.00 0.00 55.95 55.55 2oo6 s SER 264 Cb -0.13 -0.58 0.07 0.00 0.10 0.00 0.00 66.02 65.47 2oo6 s SER 264 CO 0.02 0.08 0.88 -0.24 0.98 0.00 0.00 173.24 174.96 2oo6 n SER 265 N -0.17 -1.77 0.00 7.02 2.88 -1.07 -1.32 113.62 119.18 2oo6 n SER 265 Ca -0.10 -2.04 0.00 0.00 -1.33 0.00 0.00 58.87 55.40 2oo6 n SER 265 Cb 0.57 2.91 0.00 0.00 -0.75 0.00 0.00 64.21 66.94 2oo6 n SER 265 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2oo6 h GLU 267 N 4.76 0.00 -0.14 0.00 4.11 -1.95 -0.37 114.58 121.00 2oo6 h GLU 267 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2oo6 h GLU 267 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2oo6 h GLU 267 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.33 2oo6 n THR 268 N -2.67 0.17 -3.21 -1.06 -2.24 -1.26 -4.18 114.28 99.83 2oo6 n THR 268 Ca -0.02 -0.59 -0.30 0.00 -2.27 0.00 0.00 64.05 60.87 2oo6 n THR 268 Cb 0.07 1.28 -0.04 0.00 -2.10 0.00 0.00 70.33 69.54 2oo6 n THR 268 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2oo6 s LEU 269 N -1.64 4.03 -0.18 3.22 1.43 -0.15 -4.94 118.68 120.44 2oo6 s LEU 269 Ca 0.28 0.94 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 2oo6 s LEU 269 Cb 0.19 -3.76 0.03 0.00 0.03 0.00 0.00 46.19 42.68 2oo6 s LEU 269 CO 0.27 -0.22 -0.17 -0.36 0.23 0.00 0.00 176.35 176.10 2oo6 s PHE 270 N -2.08 2.67 0.02 0.29 0.08 -1.26 -4.71 117.98 113.00 2oo6 s PHE 270 Ca 0.48 -1.62 0.00 0.00 0.12 0.00 0.00 56.93 55.91 2oo6 s PHE 270 Cb -0.11 -1.83 0.00 0.00 -0.57 0.00 0.00 43.02 40.51 2oo6 s PHE 270 CO 0.27 -0.78 0.00 0.41 -0.10 0.00 0.00 175.22 175.01 2oo6 n GLY 271 N 4.64 -2.65 0.32 4.36 0.00 -1.26 -3.57 105.19 107.03 2oo6 n GLY 271 Ca -0.19 -1.43 0.11 0.00 0.00 0.00 0.00 46.02 44.51 2oo6 n GLY 271 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2oo6 h ILE 272 N -0.05 0.65 -0.93 -0.61 2.04 -1.93 -2.13 117.51 114.55 2oo6 h ILE 272 Ca -0.01 -0.21 0.16 0.00 1.00 0.00 0.00 64.86 65.80 2oo6 h ILE 272 Cb 0.05 -0.01 -0.10 0.00 -0.74 0.00 0.00 36.82 36.02 2oo6 h ILE 272 CO 0.00 0.11 0.53 0.03 0.00 0.00 0.00 178.15 178.82 2oo6 h ARG 273 N 0.60 0.71 0.00 2.37 3.08 -2.01 0.14 114.38 119.28 2oo6 h ARG 273 Ca 0.53 -0.04 -0.22 0.00 0.07 0.00 0.00 59.98 60.32 2oo6 h ARG 273 Cb 0.86 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.72 2oo6 h ARG 273 CO -0.42 0.47 -1.16 0.93 -1.07 0.00 0.00 179.97 178.73 2oo6 h GLU 274 N 0.74 0.00 -0.14 0.04 5.08 -1.44 -3.26 114.58 115.59 2oo6 h GLU 274 Ca 0.51 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.70 2oo6 h GLU 274 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2oo6 h GLU 274 CO -0.35 0.75 -0.59 0.74 -1.00 0.00 0.00 179.01 178.55 2oo6 h PHE 275 N 0.00 0.60 -0.47 4.33 0.04 -1.24 -3.38 116.94 116.82 2oo6 h PHE 275 Ca -0.09 -0.23 0.10 0.00 2.80 0.00 0.00 57.97 60.55 2oo6 h PHE 275 Cb 1.78 -0.11 -0.09 0.00 2.20 0.00 0.00 35.95 39.72 2oo6 h PHE 275 CO 0.00 0.95 -0.16 -0.22 -0.60 0.00 0.00 178.31 178.28 2oo6 h LYS 276 N 0.35 -0.05 0.00 1.51 3.64 -1.02 -1.32 116.57 119.68 2oo6 h LYS 276 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2oo6 h LYS 276 Cb 1.14 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2oo6 h LYS 276 CO 0.11 -0.03 -0.03 -1.35 -2.27 0.00 0.00 179.45 175.88 2oo6 h PRO 277 N -0.05 0.00 -0.10 1.90 0.11 -1.75 0.19 132.00 132.30 2oo6 h PRO 277 Ca 0.23 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.29 2oo6 h PRO 277 Cb 0.39 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 2oo6 h PRO 277 CO -0.51 0.03 -0.13 0.74 -0.21 0.00 0.00 178.00 177.92 2oo6 h PHE 278 N 0.00 0.31 -0.67 0.65 0.04 -1.49 -1.61 116.94 114.16 2oo6 h PHE 278 Ca -0.00 -0.10 -0.08 0.00 2.80 0.00 0.00 57.97 60.59 2oo6 h PHE 278 Cb 0.05 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 2oo6 h PHE 278 CO 0.00 0.71 0.11 0.74 -0.60 0.00 0.00 178.31 179.27 2oo6 h PHE 279 N -0.17 1.18 -0.41 -0.55 0.04 -0.95 -0.99 116.94 115.09 2oo6 h PHE 279 Ca 0.01 -0.16 -0.03 0.00 2.80 0.00 0.00 57.97 60.59 2oo6 h PHE 279 Cb 0.67 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 2oo6 h PHE 279 CO 0.10 0.98 0.13 -0.44 -0.60 0.00 0.00 178.31 178.48 2oo6 h ASP 280 N 1.04 0.54 -0.01 2.17 3.32 -0.94 -2.26 116.42 120.29 2oo6 h ASP 280 Ca 0.21 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2oo6 h ASP 280 Cb 0.44 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2oo6 h ASP 280 CO 0.01 0.52 0.00 0.00 -1.72 0.00 0.00 179.24 178.06 2oo6 n ALA 281 N -2.47 2.66 -3.49 3.45 0.00 -0.61 -4.93 120.51 115.11 2oo6 n ALA 281 Ca 0.03 -0.25 -0.22 0.00 0.00 0.00 0.00 53.44 53.00 2oo6 n ALA 281 Cb 0.17 -1.43 0.07 0.00 0.00 0.00 0.00 19.45 18.27 2oo6 n ALA 281 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2oo6 n ASN 282 N -0.72 -5.86 0.16 0.00 5.03 -0.85 -4.75 115.26 108.28 2oo6 n ASN 282 Ca 0.22 -0.49 0.06 0.00 0.87 0.00 0.00 54.58 55.24 2oo6 n ASN 282 Cb 0.16 -4.63 0.07 0.00 -1.02 0.00 0.00 39.78 34.37 2oo6 n ASN 282 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2oo6 h ALA 283 N 0.92 0.79 -3.61 5.41 0.00 -1.42 -3.45 119.26 117.90 2oo6 h ALA 283 Ca -0.52 -0.28 -0.28 0.00 0.00 0.00 0.00 54.91 53.83 2oo6 h ALA 283 Cb 1.34 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.83 2oo6 h ALA 283 CO 0.51 0.38 -0.74 0.14 0.00 0.00 0.00 179.25 179.54 2oo6 s VAL 284 N -3.07 0.31 0.07 0.00 -7.23 -1.26 -4.46 120.40 104.75 2oo6 s VAL 284 Ca 0.05 -0.43 -0.15 0.00 -1.81 0.00 0.00 61.98 59.64 2oo6 s VAL 284 Cb 0.07 -0.32 -0.22 0.00 0.56 0.00 0.00 36.38 36.47 2oo6 s VAL 284 CO 0.72 -0.08 1.19 0.44 -0.31 0.00 0.00 175.10 177.06 2oo6 h ASP 285 N 5.58 0.84 -3.87 4.85 3.32 -0.84 -3.47 116.42 122.83 2oo6 h ASP 285 Ca -0.29 -0.72 -0.45 0.00 0.02 0.00 0.00 57.03 55.59 2oo6 h ASP 285 Cb 1.20 -0.26 -0.31 0.00 0.22 0.00 0.00 39.33 40.19 2oo6 h ASP 285 CO 0.47 1.45 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.96 2oo6 s VAL 286 N -3.39 0.89 -0.25 -1.35 1.01 -0.79 -4.34 120.40 112.18 2oo6 s VAL 286 Ca -0.11 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 2oo6 s VAL 286 Cb 0.06 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 2oo6 s VAL 286 CO 0.90 0.27 0.12 0.00 0.00 0.00 0.00 175.10 176.39 2oo6 s ALA 287 N 0.10 3.37 -0.02 5.51 0.00 -0.74 -2.61 121.76 127.37 2oo6 s ALA 287 Ca -0.02 -1.05 -0.24 0.00 0.00 0.00 0.00 51.96 50.65 2oo6 s ALA 287 Cb -0.08 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 2oo6 s ALA 287 CO 0.01 -0.42 0.73 0.42 0.00 0.00 0.00 175.76 176.49 2oo6 s ILE 288 N 1.49 4.93 -0.18 0.00 -1.09 0.14 -1.41 121.20 125.09 2oo6 s ILE 288 Ca 0.06 1.52 0.01 0.00 -2.23 0.00 0.00 60.65 60.01 2oo6 s ILE 288 Cb -0.15 -4.07 0.02 0.00 -1.58 0.00 0.00 42.46 36.68 2oo6 s ILE 288 CO 0.06 0.29 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.19 2oo6 s VAL 289 N 0.47 2.18 -0.62 2.92 1.01 -0.30 -3.14 120.40 122.92 2oo6 s VAL 289 Ca 0.38 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 61.26 2oo6 s VAL 289 Cb -0.19 -1.92 0.10 0.00 0.00 0.00 0.00 36.38 34.38 2oo6 s VAL 289 CO 0.20 0.53 0.78 -0.62 0.00 0.00 0.00 175.10 175.99 2oo6 s ASP 290 N 1.22 6.20 0.44 3.32 -1.08 -1.26 -1.63 116.67 123.88 2oo6 s ASP 290 Ca 0.03 -1.38 0.25 0.00 -0.52 0.00 0.00 52.55 50.94 2oo6 s ASP 290 Cb -0.14 -2.33 0.59 0.00 -1.46 0.00 0.00 42.92 39.58 2oo6 s ASP 290 CO -0.10 -1.18 1.70 0.71 0.52 0.00 0.00 175.17 176.81 2oo6 h THR 291 N 5.92 0.00 -0.26 1.71 1.35 -1.88 -1.06 112.91 118.69 2oo6 h THR 291 Ca -0.27 -0.85 -0.09 0.00 -0.55 0.00 0.00 66.41 64.65 2oo6 h THR 291 Cb 1.08 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 69.34 2oo6 h THR 291 CO 1.12 0.00 -0.19 0.40 -0.25 0.00 0.00 175.52 176.59 2oo6 h ILE 292 N 0.00 1.31 -0.16 6.82 1.08 -1.88 -0.55 117.51 124.12 2oo6 h ILE 292 Ca 0.00 -1.33 -0.06 0.00 -0.39 0.00 0.00 64.86 63.08 2oo6 h ILE 292 Cb 0.87 1.61 -0.00 0.00 -3.07 0.00 0.00 36.82 36.22 2oo6 h ILE 292 CO 0.00 0.42 -0.15 -0.50 -0.69 0.00 0.00 178.15 177.23 2oo6 h TRP 293 N 0.30 0.47 0.00 1.37 4.06 -1.87 -3.36 115.95 116.91 2oo6 h TRP 293 Ca 0.05 -0.14 -0.17 0.00 2.06 0.00 0.00 58.89 60.69 2oo6 h TRP 293 Cb 0.73 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.77 2oo6 h TRP 293 CO 0.07 0.76 -0.83 -0.91 -3.56 0.00 0.00 178.44 173.97 2oo6 h ASN 294 N 0.04 0.00 -2.51 -3.49 2.35 -1.25 -3.32 115.58 107.40 2oo6 h ASN 294 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2oo6 h ASN 294 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 2oo6 h ASN 294 CO 0.04 0.80 0.00 0.61 -1.65 0.00 0.00 177.43 177.23 2oo6 n GLY 295 N 1.31 -0.81 0.30 2.83 0.00 -0.22 -4.38 105.19 104.22 2oo6 n GLY 295 Ca 0.00 -1.35 -0.03 0.00 0.00 0.00 0.00 46.02 44.64 2oo6 n GLY 295 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2oo6 h VAL 296 N 0.00 1.22 -0.31 1.61 2.07 -1.83 -1.46 116.25 117.55 2oo6 h VAL 296 Ca 0.00 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 2oo6 h VAL 296 Cb 0.00 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2oo6 h VAL 296 CO 0.00 0.31 0.09 -0.25 0.02 0.00 0.00 177.57 177.74 2oo6 h TRP 297 N 0.75 0.50 -0.35 1.57 2.91 -1.92 -0.85 115.95 118.56 2oo6 h TRP 297 Ca 0.16 -0.05 -0.02 0.00 1.13 0.00 0.00 58.89 60.11 2oo6 h TRP 297 Cb 0.32 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 28.81 2oo6 h TRP 297 CO 0.02 0.52 0.14 1.96 -1.03 0.00 0.00 178.44 180.04 2oo6 h GLN 298 N 0.35 0.49 -0.16 2.65 1.08 -1.75 -2.43 115.11 115.33 2oo6 h GLN 298 Ca 0.10 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.14 2oo6 h GLN 298 Cb 0.25 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2oo6 h GLN 298 CO -0.00 0.41 -0.34 0.77 -0.95 0.00 0.00 178.83 178.72 2oo6 h SER 299 N 0.49 0.33 -0.79 1.46 0.02 -0.59 -2.01 113.55 112.46 2oo6 h SER 299 Ca 0.12 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2oo6 h SER 299 Cb 0.10 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 2oo6 h SER 299 CO -0.01 0.66 0.40 0.24 -1.14 0.00 0.00 176.83 176.98 2oo6 h MET 300 N 0.28 1.14 -0.29 3.45 2.86 -0.68 -0.15 114.93 121.55 2oo6 h MET 300 Ca 0.03 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2oo6 h MET 300 Cb 0.74 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2oo6 h MET 300 CO 0.06 0.86 0.15 0.87 1.06 0.00 0.00 176.91 179.91 2oo6 h LYS 301 N 1.13 0.40 -0.34 1.72 1.57 -1.24 -1.39 116.57 118.42 2oo6 h LYS 301 Ca 0.28 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.04 2oo6 h LYS 301 Cb 0.09 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2oo6 h LYS 301 CO -0.04 0.36 0.14 0.82 -0.57 0.00 0.00 179.45 180.16 2oo6 h ILE 302 N 0.34 0.94 -0.87 1.86 2.04 -1.07 -1.55 117.51 119.20 2oo6 h ILE 302 Ca 0.10 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2oo6 h ILE 302 Cb 0.08 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 2oo6 h ILE 302 CO -0.02 0.05 0.53 0.00 0.00 0.00 0.00 178.15 178.72 2oo6 h ALA 303 N 1.20 1.11 -0.58 1.87 0.00 -0.84 0.12 119.26 122.15 2oo6 h ALA 303 Ca 0.15 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2oo6 h ALA 303 Cb 0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2oo6 h ALA 303 CO -0.13 0.57 0.02 0.00 0.00 0.00 0.00 179.25 179.71 2oo6 h ALA 304 N 1.29 0.94 0.01 0.00 0.00 -1.09 -0.09 119.26 120.32 2oo6 h ALA 304 Ca 0.31 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2oo6 h ALA 304 Cb -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2oo6 h ALA 304 CO -0.06 0.64 -0.00 0.35 0.00 0.00 0.00 179.25 180.18 2oo6 h PHE 305 N 0.91 -0.01 -0.89 0.00 3.57 -0.56 -2.14 116.94 117.83 2oo6 h PHE 305 Ca 0.17 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.72 2oo6 h PHE 305 Cb 0.50 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 2oo6 h PHE 305 CO 0.03 0.04 0.56 0.00 -2.23 0.00 0.00 178.31 176.71 2oo6 h ALA 306 N 0.94 1.20 -0.94 2.41 0.00 -0.66 -2.48 119.26 119.74 2oo6 h ALA 306 Ca -0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2oo6 h ALA 306 Cb 0.05 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 2oo6 h ALA 306 CO 0.00 0.36 0.62 0.22 0.00 0.00 0.00 179.25 180.45 2oo6 h ASP 307 N 1.05 1.01 0.40 0.00 3.58 -0.43 0.39 116.42 122.43 2oo6 h ASP 307 Ca 0.37 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.79 2oo6 h ASP 307 Cb 0.10 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 40.92 2oo6 h ASP 307 CO -0.15 0.68 -0.13 0.00 -2.88 0.00 0.00 179.24 176.77 2oo6 h ALA 308 N 1.46 1.27 -0.37 -0.78 0.00 -0.92 0.66 119.26 120.58 2oo6 h ALA 308 Ca 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2oo6 h ALA 308 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2oo6 h ALA 308 CO -0.12 0.16 0.00 0.72 0.00 0.00 0.00 179.25 180.00 2oo6 n HIS 309 N -3.63 0.48 -3.88 0.00 8.25 0.04 -4.94 115.22 111.55 2oo6 n HIS 309 Ca -0.02 -0.24 -0.29 0.00 -0.26 0.00 0.00 57.72 56.91 2oo6 n HIS 309 Cb 0.25 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.39 2oo6 n HIS 309 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2oo6 n ASP 310 N 0.74 -4.25 -4.47 0.41 8.00 0.22 -5.00 116.55 112.21 2oo6 n ASP 310 Ca 0.16 -0.78 -0.34 0.00 0.71 0.00 0.00 54.79 54.54 2oo6 n ASP 310 Cb 0.38 -3.93 -0.13 0.00 -0.02 0.00 0.00 41.12 37.43 2oo6 n ASP 310 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2oo6 s ILE 311 N -3.37 3.73 0.43 0.53 1.01 -0.68 -5.02 121.20 117.84 2oo6 s ILE 311 Ca 0.56 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.68 2oo6 s ILE 311 Cb -0.28 -2.63 -0.07 0.00 0.01 0.00 0.00 42.46 39.50 2oo6 s ILE 311 CO 0.83 0.49 0.82 0.20 0.00 0.00 0.00 174.94 177.27 2oo6 s ASN 312 N 0.43 6.52 0.18 3.58 0.01 -1.26 -3.82 114.94 120.58 2oo6 s ASN 312 Ca -0.05 1.21 0.11 0.00 -0.71 0.00 0.00 52.86 53.42 2oo6 s ASN 312 Cb -0.14 -2.36 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 2oo6 s ASN 312 CO 0.03 -0.45 -0.23 0.68 -1.51 0.00 0.00 177.10 175.62 2oo6 s VAL 313 N -2.45 2.23 -0.07 1.60 -7.23 0.32 -1.79 120.40 113.01 2oo6 s VAL 313 Ca 0.53 -1.96 0.01 0.00 -1.81 0.00 0.00 61.98 58.74 2oo6 s VAL 313 Cb -0.10 -2.04 0.02 0.00 0.56 0.00 0.00 36.38 34.82 2oo6 s VAL 313 CO 0.32 -0.12 -0.07 0.00 -0.31 0.00 0.00 175.10 174.92 2oo6 s ALA 314 N -1.64 0.98 0.58 1.32 0.00 -0.50 -0.38 121.76 122.12 2oo6 s ALA 314 Ca 0.19 -0.27 -0.18 0.00 0.00 0.00 0.00 51.96 51.70 2oo6 s ALA 314 Cb -0.08 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 2oo6 s ALA 314 CO 0.09 -0.09 1.14 -1.25 0.00 0.00 0.00 175.76 175.65 2oo6 s PRO 315 N 1.08 3.17 -0.28 0.00 0.04 -1.26 -1.15 135.00 136.60 2oo6 s PRO 315 Ca -0.08 1.60 -0.18 0.00 0.04 0.00 0.00 61.00 62.38 2oo6 s PRO 315 Cb -0.14 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 2oo6 s PRO 315 CO -0.01 -0.99 0.54 -1.58 0.04 0.00 0.00 177.00 175.00 2oo6 s HIS 316 N -1.86 3.24 -0.34 0.56 2.46 -0.65 -3.68 115.29 115.03 2oo6 s HIS 316 Ca 0.72 0.57 -0.01 0.00 0.47 0.00 0.00 55.06 56.81 2oo6 s HIS 316 Cb -0.24 -2.81 0.13 0.00 -0.13 0.00 0.00 32.58 29.53 2oo6 s HIS 316 CO 0.31 -0.36 0.20 1.21 -2.47 0.00 0.00 174.74 173.63 2oo6 s ASN 317 N 1.59 2.99 -0.19 9.88 2.47 -1.26 -4.55 114.94 125.87 2oo6 s ASN 317 Ca 0.22 -1.94 0.24 0.00 0.42 0.00 0.00 52.86 51.79 2oo6 s ASN 317 Cb -0.15 -0.33 0.49 0.00 -1.45 0.00 0.00 41.25 39.81 2oo6 s ASN 317 CO 0.10 -0.34 1.13 2.22 -3.72 0.00 0.00 177.10 176.49 2oo6 n PHE 318 N 4.34 0.92 -0.94 0.43 -0.00 -1.26 -4.25 117.46 116.70 2oo6 n PHE 318 Ca 0.08 -1.69 0.00 0.00 -0.00 0.00 0.00 57.45 55.84 2oo6 n PHE 318 Cb 0.39 -0.21 0.00 0.00 -0.00 0.00 0.00 39.48 39.66 2oo6 n PHE 318 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2oo6 n TYR 319 N -0.30 0.00 -1.90 2.97 4.01 -1.26 -5.07 117.16 115.62 2oo6 n TYR 319 Ca 0.07 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.66 2oo6 n TYR 319 Cb 0.90 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 40.02 2oo6 n TYR 319 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2oo6 n GLY 320 N 5.00 -0.49 0.37 2.72 0.00 -1.26 -4.85 105.19 106.68 2oo6 n GLY 320 Ca 0.00 -1.82 0.06 0.00 0.00 0.00 0.00 46.02 44.26 2oo6 n GLY 320 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2oo6 h HIS 321 N -1.04 1.17 -0.69 1.61 3.86 -1.94 -2.10 115.15 116.01 2oo6 h HIS 321 Ca -0.21 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.01 2oo6 h HIS 321 Cb 0.66 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 2oo6 h HIS 321 CO 0.00 0.51 0.38 1.25 0.86 0.00 0.00 177.93 180.93 2oo6 h LEU 322 N 1.06 0.87 -0.51 2.43 5.85 -1.91 -0.63 115.31 122.46 2oo6 h LEU 322 Ca 0.48 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 59.16 2oo6 h LEU 322 Cb 0.38 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 2oo6 h LEU 322 CO -0.23 0.72 0.21 0.00 -0.34 0.00 0.00 178.44 178.79 2oo6 h THR 324 N 0.41 0.96 -0.32 0.00 2.02 -0.76 -1.23 112.91 113.99 2oo6 h THR 324 Ca 0.24 -0.19 -0.14 0.00 0.77 0.00 0.00 66.41 67.09 2oo6 h THR 324 Cb 0.22 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2oo6 h THR 324 CO -0.21 0.10 -0.35 0.24 0.37 0.00 0.00 175.52 175.67 2oo6 h MET 325 N 0.55 0.73 -0.13 6.66 2.07 -0.44 0.97 114.93 125.34 2oo6 h MET 325 Ca 0.24 -0.36 0.04 0.00 -2.07 0.00 0.00 59.70 57.55 2oo6 h MET 325 Cb 0.14 -0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 29.83 2oo6 h MET 325 CO -0.16 0.97 -0.10 0.82 1.07 0.00 0.00 176.91 179.51 2oo6 h ILE 326 N 0.61 0.72 -0.18 -1.22 2.04 -0.62 -2.09 117.51 116.77 2oo6 h ILE 326 Ca 0.06 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.84 2oo6 h ILE 326 Cb 0.89 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2oo6 h ILE 326 CO 0.08 0.00 -0.25 0.78 0.00 0.00 0.00 178.15 178.76 2oo6 h ASN 327 N -0.10 0.33 -0.68 1.72 2.35 -1.01 -2.65 115.58 115.54 2oo6 h ASN 327 Ca 0.08 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2oo6 h ASN 327 Cb 0.22 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 2oo6 h ASN 327 CO -0.19 0.59 0.44 0.00 -1.65 0.00 0.00 177.43 176.62 2oo6 h ALA 328 N 1.44 0.87 -0.37 -0.83 0.00 -0.46 0.98 119.26 120.88 2oo6 h ALA 328 Ca 0.05 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2oo6 h ALA 328 Cb 0.61 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2oo6 h ALA 328 CO 0.04 0.26 -0.07 -0.91 0.00 0.00 0.00 179.25 178.58 2oo6 h ASN 329 N 0.90 0.71 -0.02 0.00 2.35 -1.04 -0.01 115.58 118.45 2oo6 h ASN 329 Ca 0.25 -0.35 0.03 0.00 -0.55 0.00 0.00 56.30 55.69 2oo6 h ASN 329 Cb -0.07 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.05 2oo6 h ASN 329 CO -0.07 0.89 -0.33 0.15 -1.65 0.00 0.00 177.43 176.42 2oo6 h PHE 330 N 0.51 -0.92 -0.79 1.19 3.57 -1.38 -2.84 116.94 116.28 2oo6 h PHE 330 Ca 0.10 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.70 2oo6 h PHE 330 Cb 0.57 0.41 -0.05 0.00 2.79 0.00 0.00 35.95 39.66 2oo6 h PHE 330 CO 0.05 -0.42 0.52 0.00 -2.23 0.00 0.00 178.31 176.22 2oo6 h ALA 331 N 0.24 1.68 -0.23 2.41 0.00 -0.73 -2.02 119.26 120.60 2oo6 h ALA 331 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2oo6 h ALA 331 Cb 0.57 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2oo6 h ALA 331 CO -0.29 0.19 0.05 0.00 0.00 0.00 0.00 179.25 179.20 2oo6 h ALA 332 N 1.58 1.67 0.00 0.00 0.00 -0.76 -3.28 119.26 118.47 2oo6 h ALA 332 Ca 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2oo6 h ALA 332 Cb 0.31 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2oo6 h ALA 332 CO -0.13 0.26 -1.86 0.00 0.00 0.00 0.00 179.25 177.52 2oo6 n ALA 333 N -2.49 2.75 -2.65 0.00 0.00 -0.81 -0.07 120.51 117.23 2oo6 n ALA 333 Ca 0.00 -0.49 -0.41 0.00 0.00 0.00 0.00 53.44 52.54 2oo6 n ALA 333 Cb 0.15 -0.80 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 2oo6 n ALA 333 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2oo6 s VAL 334 N -3.48 4.88 0.06 0.00 0.11 -0.90 -4.74 120.40 116.33 2oo6 s VAL 334 Ca -0.07 1.52 -0.23 0.00 -2.93 0.00 0.00 61.98 60.27 2oo6 s VAL 334 Cb 0.13 -4.09 -0.14 0.00 -1.53 0.00 0.00 36.38 30.75 2oo6 s VAL 334 CO 0.89 -0.02 1.56 1.55 -3.33 0.00 0.00 175.10 175.75 2oo6 h PRO 335 N 7.58 0.13 -3.07 1.54 0.13 -1.91 -3.34 132.00 133.05 2oo6 h PRO 335 Ca -0.26 -0.03 -0.69 0.00 -0.87 0.00 0.00 66.00 64.15 2oo6 h PRO 335 Cb 1.11 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2oo6 h PRO 335 CO 0.85 0.29 3.48 0.27 -0.23 0.00 0.00 178.00 182.66 2oo6 n ASN 336 N -4.91 7.95 -4.53 1.44 6.94 -1.26 -4.91 115.26 115.98 2oo6 n ASN 336 Ca -0.06 -2.71 -0.39 0.00 -0.02 0.00 0.00 54.58 51.39 2oo6 n ASN 336 Cb 0.14 -1.54 -0.11 0.00 -2.36 0.00 0.00 39.78 35.91 2oo6 n ASN 336 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2oo6 s LEU 337 N 0.03 4.23 -0.03 -4.53 2.96 -1.26 -0.52 118.68 119.55 2oo6 s LEU 337 Ca 0.64 -0.28 -0.26 0.00 -0.22 0.00 0.00 54.13 54.00 2oo6 s LEU 337 Cb 0.17 -2.10 -0.21 0.00 0.50 0.00 0.00 46.19 44.55 2oo6 s LEU 337 CO -0.07 -0.15 1.20 -0.09 -1.32 0.00 0.00 176.35 175.92 2oo6 h ARG 338 N 8.41 0.02 0.00 1.98 9.65 -1.01 -3.46 114.38 129.98 2oo6 h ARG 338 Ca -0.33 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.54 2oo6 h ARG 338 Cb 1.17 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 2oo6 h ARG 338 CO 0.60 0.57 0.00 1.51 2.80 0.00 0.00 179.97 185.45 2oo6 n ILE 339 N -4.81 0.00 -5.26 1.20 3.06 -1.26 -5.05 119.36 107.25 2oo6 n ILE 339 Ca -0.09 0.00 -0.31 0.00 -2.50 0.00 0.00 62.75 59.85 2oo6 n ILE 339 Cb 0.29 0.00 -0.16 0.00 0.54 0.00 0.00 39.64 40.30 2oo6 n ILE 339 CO 0.00 0.00 0.00 -0.32 -2.50 0.00 0.00 176.55 173.73 2oo6 s MET 340 N -2.00 2.41 0.33 9.51 -2.45 -0.65 -4.08 119.30 122.36 2oo6 s MET 340 Ca 0.00 -0.90 -0.27 0.00 -1.25 0.00 0.00 55.69 53.27 2oo6 s MET 340 Cb 0.00 -2.11 -0.09 0.00 1.25 0.00 0.00 34.83 33.88 2oo6 s MET 340 CO 0.00 0.42 1.04 -2.00 1.05 0.00 0.00 175.02 175.54 2oo6 s GLU 341 N -0.27 4.47 0.14 4.11 2.12 -1.24 -1.03 118.70 126.99 2oo6 s GLU 341 Ca -0.00 1.60 -0.15 0.00 0.36 0.00 0.00 54.97 56.78 2oo6 s GLU 341 Cb -0.13 -2.91 0.03 0.00 0.26 0.00 0.00 34.13 31.39 2oo6 s GLU 341 CO 0.02 0.12 0.40 -0.08 -0.54 0.00 0.00 175.26 175.18 2oo6 s THR 342 N -1.41 0.07 -0.22 -1.70 -1.32 -0.56 -4.52 115.64 105.98 2oo6 s THR 342 Ca 0.50 -0.70 -0.07 0.00 -1.21 0.00 0.00 61.69 60.21 2oo6 s THR 342 Cb -0.26 -1.29 -0.03 0.00 -1.51 0.00 0.00 72.50 69.41 2oo6 s THR 342 CO 0.33 -0.30 0.05 -1.81 -2.21 0.00 0.00 174.62 170.68 2oo6 s ASP 343 N -2.83 5.18 -0.05 8.08 1.01 -1.26 -0.39 116.67 126.41 2oo6 s ASP 343 Ca 0.05 -0.14 0.14 0.00 0.71 0.00 0.00 52.55 53.31 2oo6 s ASP 343 Cb 0.02 -1.91 -0.22 0.00 1.01 0.00 0.00 42.92 41.81 2oo6 s ASP 343 CO -0.10 0.03 0.58 -0.38 0.21 0.00 0.00 175.17 175.52 2oo6 n ILE 344 N 4.47 1.47 -2.00 0.77 2.08 -1.26 -4.76 119.36 120.13 2oo6 n ILE 344 Ca -0.16 -0.78 -0.42 0.00 0.56 0.00 0.00 62.75 61.94 2oo6 n ILE 344 Cb 0.52 -0.86 -0.03 0.00 -0.75 0.00 0.00 39.64 38.52 2oo6 n ILE 344 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 2oo6 s ASP 345 N -5.90 6.66 0.04 4.38 1.01 -1.26 -5.00 116.67 116.60 2oo6 s ASP 345 Ca -0.05 2.38 0.06 0.00 0.71 0.00 0.00 52.55 55.64 2oo6 s ASP 345 Cb 0.08 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.43 2oo6 s ASP 345 CO 0.83 -0.86 -0.17 0.00 0.21 0.00 0.00 175.17 175.18 2oo6 s ARG 346 N 2.80 1.13 0.50 8.23 1.70 -1.26 -5.12 118.95 126.93 2oo6 s ARG 346 Ca 0.72 -0.82 -0.22 0.00 -0.47 0.00 0.00 55.73 54.93 2oo6 s ARG 346 Cb -0.37 -1.18 -0.07 0.00 -0.57 0.00 0.00 34.95 32.75 2oo6 s ARG 346 CO 0.31 0.30 1.17 1.28 -1.08 0.00 0.00 175.30 177.28 2oo6 n LEU 347 N 1.91 4.11 0.11 -1.89 4.77 -1.26 -4.89 117.00 119.86 2oo6 n LEU 347 Ca -0.17 0.98 0.12 0.00 -0.03 0.00 0.00 56.01 56.91 2oo6 n LEU 347 Cb 0.54 -1.47 0.63 0.00 -2.33 0.00 0.00 43.42 40.79 2oo6 n LEU 347 CO 0.23 -1.08 1.13 0.00 -1.33 0.00 0.00 177.39 176.34 2oo6 h ALA 348 N 1.41 2.16 -0.66 -1.18 0.00 -2.00 -1.47 119.26 117.51 2oo6 h ALA 348 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2oo6 h ALA 348 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2oo6 h ALA 348 CO 0.56 -0.23 0.00 -2.67 0.00 0.00 0.00 179.25 176.92 2oo6 n TRP 349 N -4.47 0.94 -0.05 0.00 2.14 -1.26 -4.64 117.44 110.10 2oo6 n TRP 349 Ca 0.03 -0.51 -0.09 0.00 2.07 0.00 0.00 57.50 59.00 2oo6 n TRP 349 Cb 0.30 -0.03 -0.02 0.00 -0.81 0.00 0.00 31.31 30.75 2oo6 n TRP 349 CO 0.00 0.00 0.00 1.49 2.07 0.00 0.00 177.69 181.25 2oo6 h GLU 350 N 3.87 0.21 -0.39 -2.67 4.57 -1.62 -2.66 114.58 115.88 2oo6 h GLU 350 Ca 0.00 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.11 2oo6 h GLU 350 Cb 0.99 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.52 2oo6 h GLU 350 CO 0.02 0.14 -0.00 -0.44 -1.18 0.00 0.00 179.01 177.55 2oo6 h ASP 351 N 0.22 0.58 -0.62 1.04 3.32 -1.82 -2.34 116.42 116.79 2oo6 h ASP 351 Ca 0.09 -0.12 0.11 0.00 0.02 0.00 0.00 57.03 57.13 2oo6 h ASP 351 Cb 0.04 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 2oo6 h ASP 351 CO -0.07 0.66 0.42 -0.08 -1.72 0.00 0.00 179.24 178.44 2oo6 h GLU 352 N 0.59 0.39 0.00 3.56 4.81 -1.80 -2.94 114.58 119.18 2oo6 h GLU 352 Ca 0.12 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2oo6 h GLU 352 Cb 0.38 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2oo6 h GLU 352 CO 0.01 0.26 0.00 -0.07 -0.73 0.00 0.00 179.01 178.48 2oo6 h LEU 353 N 0.40 0.00 -8.37 1.64 3.38 -1.35 -3.45 115.31 107.57 2oo6 h LEU 353 Ca 0.29 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.88 2oo6 h LEU 353 Cb 0.60 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.14 2oo6 h LEU 353 CO -0.08 0.00 -0.77 -0.36 0.09 0.00 0.00 178.44 177.32 2oo6 s PHE 354 N -3.24 1.10 0.24 1.13 0.08 -1.11 0.18 117.98 116.37 2oo6 s PHE 354 Ca 0.07 -0.47 -0.02 0.00 0.12 0.00 0.00 56.93 56.63 2oo6 s PHE 354 Cb 0.10 -0.62 0.28 0.00 -0.57 0.00 0.00 43.02 42.20 2oo6 s PHE 354 CO 0.55 0.03 1.69 1.79 -0.10 0.00 0.00 175.22 179.17 2oo6 h THR 355 N 4.31 1.26 -4.07 0.64 1.35 -0.96 -3.45 112.91 111.99 2oo6 h THR 355 Ca -0.40 -1.23 -0.43 0.00 -0.55 0.00 0.00 66.41 63.80 2oo6 h THR 355 Cb 1.19 1.16 -0.26 0.00 -1.73 0.00 0.00 68.15 68.51 2oo6 h THR 355 CO 0.41 0.41 -0.79 -1.00 -0.25 0.00 0.00 175.52 174.30 2oo6 s HIS 356 N -4.68 1.12 0.01 4.73 3.76 -1.26 -4.97 115.29 114.00 2oo6 s HIS 356 Ca -0.09 -0.30 -0.00 0.00 -0.15 0.00 0.00 55.06 54.52 2oo6 s HIS 356 Cb 0.14 -0.69 -0.04 0.00 1.11 0.00 0.00 32.58 33.10 2oo6 s HIS 356 CO 0.82 0.01 0.12 0.00 -0.85 0.00 0.00 174.74 174.83 2oo6 s ALA 357 N -0.64 3.72 0.49 -1.40 0.00 -1.26 -4.81 121.76 117.86 2oo6 s ALA 357 Ca 0.02 -0.86 -0.24 0.00 0.00 0.00 0.00 51.96 50.88 2oo6 s ALA 357 Cb -0.07 -1.66 -0.07 0.00 0.00 0.00 0.00 23.12 21.33 2oo6 s ALA 357 CO 0.01 0.73 1.40 -1.25 0.00 0.00 0.00 175.76 176.65 2oo6 s PRO 358 N -1.95 3.43 -0.14 0.00 0.04 -1.26 -5.01 135.00 130.11 2oo6 s PRO 358 Ca 0.26 2.35 -0.00 0.00 0.04 0.00 0.00 61.00 63.65 2oo6 s PRO 358 Cb -0.12 -2.48 -0.01 0.00 0.04 0.00 0.00 34.50 31.93 2oo6 s PRO 358 CO 0.18 -1.00 -0.12 -2.00 0.04 0.00 0.00 177.00 174.09 2oo6 s GLU 359 N -2.66 3.37 -0.00 4.56 2.12 -1.26 -5.06 118.70 119.76 2oo6 s GLU 359 Ca 0.66 -0.69 0.06 0.00 0.36 0.00 0.00 54.97 55.36 2oo6 s GLU 359 Cb -0.43 -2.67 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 2oo6 s GLU 359 CO 0.53 0.15 -0.16 0.71 -0.54 0.00 0.00 175.26 175.94 2oo6 s TYR 360 N 0.52 2.62 -0.05 5.30 2.02 -1.26 -0.73 117.35 125.78 2oo6 s TYR 360 Ca -0.08 -0.22 -0.02 0.00 -0.37 0.00 0.00 57.07 56.38 2oo6 s TYR 360 Cb -0.16 -1.54 0.04 0.00 -0.40 0.00 0.00 41.96 39.90 2oo6 s TYR 360 CO 0.04 0.21 0.10 -1.14 -1.57 0.00 0.00 175.55 173.19 2oo6 s GLN 361 N -1.10 0.04 -1.43 -0.62 0.74 0.42 -4.92 119.66 112.80 2oo6 s GLN 361 Ca 0.13 0.31 -0.04 0.00 0.05 0.00 0.00 55.36 55.81 2oo6 s GLN 361 Cb -0.11 -0.21 0.03 0.00 1.10 0.00 0.00 33.01 33.82 2oo6 s GLN 361 CO 0.03 -0.17 0.63 -1.71 -0.55 0.00 0.00 175.29 173.52 2oo6 n ASN 362 N 4.25 -1.58 -0.37 6.67 4.05 -1.26 -1.29 115.26 125.72 2oo6 n ASN 362 Ca -0.26 -0.91 -0.05 0.00 0.45 0.00 0.00 54.58 53.81 2oo6 n ASN 362 Cb 0.51 -3.47 -0.02 0.00 1.23 0.00 0.00 39.78 38.02 2oo6 n ASN 362 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2oo6 n GLY 363 N -1.75 0.69 3.28 8.20 0.00 -1.00 -4.92 105.19 109.69 2oo6 n GLY 363 Ca -0.21 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 2oo6 n GLY 363 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oo6 s GLU 364 N -1.87 1.22 -0.06 1.61 2.02 -0.41 -2.63 118.70 118.58 2oo6 s GLU 364 Ca 0.00 -1.10 -0.24 0.00 0.02 0.00 0.00 54.97 53.65 2oo6 s GLU 364 Cb 0.00 -1.45 -0.04 0.00 0.10 0.00 0.00 34.13 32.75 2oo6 s GLU 364 CO 0.00 0.35 0.73 -1.17 0.02 0.00 0.00 175.26 175.18 2oo6 s LEU 365 N -1.69 4.32 -0.14 1.80 2.96 0.41 -0.44 118.68 125.91 2oo6 s LEU 365 Ca 0.07 1.23 -0.25 0.00 -0.22 0.00 0.00 54.13 54.96 2oo6 s LEU 365 Cb -0.10 -3.13 -0.02 0.00 0.50 0.00 0.00 46.19 43.45 2oo6 s LEU 365 CO 0.04 -0.13 0.80 -0.63 -1.32 0.00 0.00 176.35 175.11 2oo6 s ILE 366 N 0.81 4.92 -0.19 6.68 1.01 0.10 -0.79 121.20 133.74 2oo6 s ILE 366 Ca 0.39 1.60 -0.29 0.00 0.00 0.00 0.00 60.65 62.34 2oo6 s ILE 366 Cb -0.18 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.17 2oo6 s ILE 366 CO 0.19 0.08 1.03 -0.63 0.00 0.00 0.00 174.94 175.60 2oo6 s ILE 367 N 1.84 4.72 0.88 2.92 1.01 -0.95 -4.53 121.20 127.08 2oo6 s ILE 367 Ca 0.38 2.03 -0.12 0.00 0.00 0.00 0.00 60.65 62.94 2oo6 s ILE 367 Cb -0.17 -4.31 0.12 0.00 0.01 0.00 0.00 42.46 38.11 2oo6 s ILE 367 CO 0.14 -0.12 1.10 -2.16 0.00 0.00 0.00 174.94 173.90 2oo6 s PRO 368 N 2.80 1.44 -0.27 2.79 0.04 -1.26 -4.98 135.00 135.55 2oo6 s PRO 368 Ca 0.45 0.69 0.15 0.00 0.04 0.00 0.00 61.00 62.33 2oo6 s PRO 368 Cb -0.16 -1.84 0.48 0.00 0.04 0.00 0.00 34.50 33.02 2oo6 s PRO 368 CO 0.10 -2.08 1.15 -0.40 0.04 0.00 0.00 177.00 175.81 2oo6 n ASP 369 N -3.76 3.29 -4.91 6.66 5.75 -1.26 -5.00 116.55 117.32 2oo6 n ASP 369 Ca 0.07 -2.93 -0.27 0.00 -0.01 0.00 0.00 54.79 51.64 2oo6 n ASP 369 Cb 0.56 -0.41 -0.02 0.00 -1.03 0.00 0.00 41.12 40.23 2oo6 n ASP 369 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2oo6 s ARG 370 N -3.64 3.59 0.32 0.11 0.52 -1.26 -4.69 118.95 113.89 2oo6 s ARG 370 Ca 0.40 0.06 -0.29 0.00 -0.52 0.00 0.00 55.73 55.37 2oo6 s ARG 370 Cb 0.37 -2.52 -0.12 0.00 0.52 0.00 0.00 34.95 33.20 2oo6 s ARG 370 CO -0.00 0.01 1.48 -2.30 0.02 0.00 0.00 175.30 174.51 2oo6 n PRO 371 N -1.67 2.49 0.00 3.54 -0.02 -1.26 -3.34 135.00 134.75 2oo6 n PRO 371 Ca -0.01 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2oo6 n PRO 371 Cb 0.55 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2oo6 n PRO 371 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oo6 n GLY 372 N 1.34 -1.12 0.23 -1.23 0.00 -0.20 -4.33 105.19 99.87 2oo6 n GLY 372 Ca 0.06 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2oo6 n GLY 372 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2oo6 h TRP 373 N 0.00 0.32 0.00 1.61 -0.00 -1.87 -0.60 115.95 115.41 2oo6 h TRP 373 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 58.89 58.84 2oo6 h TRP 373 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 29.16 29.07 2oo6 h TRP 373 CO 0.00 0.49 0.00 0.41 -0.00 0.00 0.00 178.44 179.34 2oo6 n GLY 374 N -0.63 1.08 3.53 1.49 0.00 -1.26 -4.60 105.19 104.81 2oo6 n GLY 374 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 2oo6 n GLY 374 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2oo6 s THR 375 N -1.95 0.00 -0.03 2.61 -1.32 -1.26 -4.67 115.64 109.02 2oo6 s THR 375 Ca 0.00 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 2oo6 s THR 375 Cb 0.00 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 2oo6 s THR 375 CO 0.00 0.00 -0.22 -1.81 -2.21 0.00 0.00 174.62 170.38 2oo6 s ASP 376 N -1.03 2.65 0.58 8.08 1.01 -1.26 -4.93 116.67 121.77 2oo6 s ASP 376 Ca -0.10 -0.42 -0.20 0.00 0.71 0.00 0.00 52.55 52.54 2oo6 s ASP 376 Cb -0.01 -0.50 -0.03 0.00 1.01 0.00 0.00 42.92 43.39 2oo6 s ASP 376 CO 0.09 0.24 1.32 -2.84 0.21 0.00 0.00 175.17 174.20 2oo6 s PRO 377 N -0.32 2.92 -0.31 8.23 0.02 -1.26 -0.35 135.00 143.94 2oo6 s PRO 377 Ca 0.03 2.15 -0.08 0.00 0.02 0.00 0.00 61.00 63.12 2oo6 s PRO 377 Cb -0.11 -2.09 0.01 0.00 0.02 0.00 0.00 34.50 32.34 2oo6 s PRO 377 CO 0.01 -1.33 0.11 0.08 -0.33 0.00 0.00 177.00 175.53 2oo6 s VAL 378 N -1.35 4.12 0.20 3.83 1.01 0.13 -4.82 120.40 123.52 2oo6 s VAL 378 Ca 0.76 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 2oo6 s VAL 378 Cb -0.39 -3.16 0.13 0.00 0.00 0.00 0.00 36.38 32.96 2oo6 s VAL 378 CO 0.44 0.02 1.75 -0.33 0.00 0.00 0.00 175.10 176.98 2oo6 h GLU 379 N 8.27 0.40 -0.73 2.72 3.07 -1.94 -0.21 114.58 126.15 2oo6 h GLU 379 Ca -0.30 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.51 2oo6 h GLU 379 Cb 1.12 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.91 2oo6 h GLU 379 CO 0.61 0.26 0.37 1.49 -1.40 0.00 0.00 179.01 180.34 2oo6 h GLU 380 N 0.41 1.04 -0.53 2.33 4.81 -1.98 -2.03 114.58 118.63 2oo6 h GLU 380 Ca 0.28 -0.14 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 2oo6 h GLU 380 Cb 0.32 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2oo6 h GLU 380 CO -0.27 0.80 -0.04 0.00 -0.73 0.00 0.00 179.01 178.77 2oo6 h ALA 381 N 1.18 0.72 -0.60 2.92 0.00 -1.67 -1.29 119.26 120.52 2oo6 h ALA 381 Ca 0.25 -0.31 0.09 0.00 0.00 0.00 0.00 54.91 54.94 2oo6 h ALA 381 Cb 0.09 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 2oo6 h ALA 381 CO -0.03 0.57 0.23 0.82 0.00 0.00 0.00 179.25 180.83 2oo6 h ILE 382 N 0.83 0.78 0.00 0.00 2.04 -0.77 -1.80 117.51 118.59 2oo6 h ILE 382 Ca 0.15 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.81 2oo6 h ILE 382 Cb 0.58 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2oo6 h ILE 382 CO 0.03 0.08 -0.28 -0.07 0.00 0.00 0.00 178.15 177.91 2oo6 h LEU 383 N 0.41 0.00 -0.17 1.44 3.38 -1.08 -2.14 115.31 117.15 2oo6 h LEU 383 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2oo6 h LEU 383 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2oo6 h LEU 383 CO -0.30 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.51 2oo6 n ALA 384 N -2.25 1.78 -3.26 1.53 0.00 -0.51 -3.89 120.51 113.90 2oo6 n ALA 384 Ca 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 53.44 53.17 2oo6 n ALA 384 Cb 0.46 -1.31 -0.07 0.00 0.00 0.00 0.00 19.45 18.54 2oo6 n ALA 384 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2oo6 n HIS 385 N -1.72 2.31 -1.67 0.00 8.25 -0.80 -5.09 115.22 116.50 2oo6 n HIS 385 Ca 0.04 -3.94 -0.42 0.00 -0.26 0.00 0.00 57.72 53.14 2oo6 n HIS 385 Cb 0.22 -0.48 -0.00 0.00 1.12 0.00 0.00 29.99 30.85 2oo6 n HIS 385 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2oo6 n PRO 386 N 0.78 1.83 -1.25 -0.41 -0.04 -1.25 -0.25 135.00 134.41 2oo6 n PRO 386 Ca 0.27 0.65 -0.30 0.00 -0.04 0.00 0.00 63.50 64.08 2oo6 n PRO 386 Cb 0.46 -2.22 0.14 0.00 -0.04 0.00 0.00 33.50 31.84 2oo6 n PRO 386 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2oo6 s PRO 387 N -1.93 1.24 0.31 0.54 0.04 -1.26 -3.60 135.00 130.33 2oo6 s PRO 387 Ca 0.58 0.75 0.07 0.00 0.04 0.00 0.00 61.00 62.44 2oo6 s PRO 387 Cb -0.57 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 2oo6 s PRO 387 CO 0.60 -2.24 0.36 0.15 0.04 0.00 0.00 177.00 175.91 2oo6 s LYS 388 N -4.97 3.01 -0.43 4.56 1.02 -1.26 -4.84 119.74 116.82 2oo6 s LYS 388 Ca 0.63 -1.07 -0.05 0.00 0.02 0.00 0.00 55.97 55.50 2oo6 s LYS 388 Cb -0.18 -2.68 -0.01 0.00 -0.52 0.00 0.00 37.83 34.44 2oo6 s LYS 388 CO 0.57 0.17 2.94 0.28 -0.92 0.00 0.00 175.35 178.38 2oo6 n VAL 389 N -1.46 3.40 -3.10 3.17 0.31 -1.26 -4.92 118.33 114.46 2oo6 n VAL 389 Ca -0.03 -2.76 0.00 0.00 -0.01 0.00 0.00 64.34 61.54 2oo6 n VAL 389 Cb 0.58 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 2oo6 n VAL 389 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2oo6 n GLY 391 N 1.32 -1.11 7.00 2.92 0.00 -1.26 -5.15 105.19 108.91 2oo6 n GLY 391 Ca 0.49 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2oo6 n GLY 391 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oo6 n GLY 392 N 0.00 1.22 0.25 -0.02 0.00 -0.59 -3.14 105.19 102.90 2oo6 n GLY 392 Ca 0.00 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.54 2oo6 n GLY 392 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2oo6 h LEU 393 N 0.00 0.00 -0.96 0.99 3.38 -0.86 -3.49 115.31 114.36 2oo6 h LEU 393 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2oo6 h LEU 393 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2oo6 h LEU 393 CO 0.00 0.15 0.00 0.18 0.09 0.00 0.00 178.44 178.86