#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mal s ASP 2 N 0.00 6.44 -0.17 6.55 1.11 0.43 -4.95 116.67 126.07 1mal s ASP 2 Ca 0.00 0.51 0.01 0.00 0.18 0.00 0.00 52.55 53.25 1mal s ASP 2 Cb 0.00 -2.15 0.02 0.00 1.07 0.00 0.00 42.92 41.86 1mal s ASP 2 CO 0.00 0.23 -0.18 0.12 1.18 0.00 0.00 175.17 176.51 1mal s PHE 3 N -0.17 2.61 0.15 4.23 5.36 -1.26 -1.59 117.98 127.31 1mal s PHE 3 Ca 0.16 -1.53 -0.04 0.00 -0.96 0.00 0.00 56.93 54.55 1mal s PHE 3 Cb -0.13 -1.83 -0.03 0.00 -0.34 0.00 0.00 43.02 40.70 1mal s PHE 3 CO 0.04 -0.77 0.15 -1.01 -1.46 0.00 0.00 175.22 172.18 1mal s HIS 4 N 1.35 0.66 -0.13 10.12 3.76 -0.73 -4.98 115.29 125.35 1mal s HIS 4 Ca 0.05 -1.03 0.00 0.00 -0.15 0.00 0.00 55.06 53.93 1mal s HIS 4 Cb -0.13 -0.30 0.00 0.00 1.11 0.00 0.00 32.58 33.26 1mal s HIS 4 CO -0.12 -0.61 0.00 0.41 -0.85 0.00 0.00 174.74 173.57 1mal n GLY 5 N -0.15 -0.76 3.54 -2.22 0.00 -1.23 0.88 105.19 105.26 1mal n GLY 5 Ca -0.06 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.46 1mal n GLY 5 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1mal s TYR 6 N -3.79 -0.68 -0.06 1.61 6.14 -1.12 -3.06 117.35 116.40 1mal s TYR 6 Ca 0.00 1.33 -0.30 0.00 0.64 0.00 0.00 57.07 58.75 1mal s TYR 6 Cb 0.00 0.35 0.09 0.00 0.42 0.00 0.00 41.96 42.83 1mal s TYR 6 CO 0.00 -0.53 0.80 0.00 0.64 0.00 0.00 175.55 176.46 1mal s ALA 7 N -0.71 -1.81 -0.13 3.97 0.00 -0.71 -0.63 121.76 121.74 1mal s ALA 7 Ca -0.08 1.29 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 1mal s ALA 7 Cb -0.02 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.03 1mal s ALA 7 CO 0.07 -0.42 0.34 -0.98 0.00 0.00 0.00 175.76 174.77 1mal s ARG 8 N -1.62 0.39 -0.06 0.00 1.70 -0.57 -1.63 118.95 117.17 1mal s ARG 8 Ca -0.05 0.50 -0.30 0.00 -0.47 0.00 0.00 55.73 55.41 1mal s ARG 8 Cb -0.00 0.17 0.09 0.00 -0.57 0.00 0.00 34.95 34.63 1mal s ARG 8 CO 0.03 -0.06 0.78 0.45 -1.08 0.00 0.00 175.30 175.42 1mal s SER 9 N 0.31 -0.55 0.00 -2.89 0.15 -1.17 -2.12 113.70 107.43 1mal s SER 9 Ca -0.01 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.14 1mal s SER 9 Cb -0.03 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1mal s SER 9 CO -0.01 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.47 1mal n GLY 10 N 0.64 -0.79 3.00 9.45 0.00 -1.26 -1.95 105.19 114.27 1mal n GLY 10 Ca -0.16 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 1mal n GLY 10 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1mal s ILE 11 N -3.00 0.04 0.23 -0.61 2.07 -0.78 -5.01 121.20 114.14 1mal s ILE 11 Ca 0.00 -0.35 -0.18 0.00 -1.41 0.00 0.00 60.65 58.71 1mal s ILE 11 Cb 0.00 -0.22 0.02 0.00 0.13 0.00 0.00 42.46 42.39 1mal s ILE 11 CO 0.00 -0.19 0.59 -0.83 -1.91 0.00 0.00 174.94 172.59 1mal s GLY 12 N -0.60 -0.05 0.03 1.50 0.00 -1.26 -1.74 107.32 105.19 1mal s GLY 12 Ca -0.07 -0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.38 1mal s GLY 12 CO 0.00 -0.22 -0.04 -0.98 0.00 0.00 0.00 173.10 171.86 1mal s TRP 13 N -3.90 0.37 -0.13 1.90 0.51 -0.70 -2.77 118.94 114.21 1mal s TRP 13 Ca 0.11 -0.51 -0.04 0.00 -2.12 0.00 0.00 56.10 53.54 1mal s TRP 13 Cb -0.03 -0.24 -0.03 0.00 -0.81 0.00 0.00 33.47 32.36 1mal s TRP 13 CO 0.01 -0.16 0.01 0.99 -0.51 0.00 0.00 176.95 177.30 1mal s THR 14 N -1.42 4.37 0.07 2.01 2.01 -0.62 -1.84 115.64 120.23 1mal s THR 14 Ca -0.14 -0.20 -0.14 0.00 0.31 0.00 0.00 61.69 61.52 1mal s THR 14 Cb -0.10 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 1mal s THR 14 CO -0.01 0.54 1.20 0.61 -0.69 0.00 0.00 174.62 176.27 1mal n GLY 15 N 2.88 -2.79 0.22 4.40 0.00 0.22 -0.50 105.19 109.62 1mal n GLY 15 Ca -0.18 0.83 0.15 0.00 0.00 0.00 0.00 46.02 46.83 1mal n GLY 15 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1mal h SER 16 N 0.00 0.00 -3.66 1.61 4.64 -1.96 -3.47 113.55 110.70 1mal h SER 16 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1mal h SER 16 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1mal h SER 16 CO -0.41 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.16 1mal n GLY 17 N -0.99 4.64 1.37 -0.77 0.00 0.34 -5.17 105.19 104.61 1mal n GLY 17 Ca -0.01 -1.23 0.02 0.00 0.00 0.00 0.00 46.02 44.80 1mal n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mal n GLY 18 N -1.92 -2.17 3.59 -0.02 0.00 -1.26 -4.52 105.19 98.89 1mal n GLY 18 Ca 0.00 -1.47 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 1mal n GLY 18 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1mal n GLU 19 N -1.24 -0.07 -1.89 1.61 0.28 -1.26 -1.59 120.64 116.48 1mal n GLU 19 Ca 0.00 0.05 -0.38 0.00 -0.16 0.00 0.00 57.16 56.66 1mal n GLU 19 Cb 0.07 -2.21 0.03 0.00 1.43 0.00 0.00 31.44 30.76 1mal n GLU 19 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1mal s GLN 20 N -3.96 3.36 0.27 3.44 0.74 -1.12 -4.12 119.66 118.28 1mal s GLN 20 Ca 0.67 2.17 0.11 0.00 0.05 0.00 0.00 55.36 58.36 1mal s GLN 20 Cb -0.27 -2.36 -0.05 0.00 1.10 0.00 0.00 33.01 31.44 1mal s GLN 20 CO 0.57 -0.99 -0.15 -0.65 -0.55 0.00 0.00 175.29 173.52 1mal s GLN 21 N -2.77 1.83 0.10 1.67 -0.21 -1.26 -4.92 119.66 114.10 1mal s GLN 21 Ca 0.68 -1.65 0.10 0.00 0.02 0.00 0.00 55.36 54.51 1mal s GLN 21 Cb -0.39 -1.88 -0.04 0.00 1.00 0.00 0.00 33.01 31.71 1mal s GLN 21 CO 0.47 0.35 -0.27 0.00 -2.12 0.00 0.00 175.29 173.72 1mal s PHE 23 N -0.98 3.03 -0.06 0.00 0.08 -1.26 -5.08 117.98 113.71 1mal s PHE 23 Ca 0.13 -0.90 0.01 0.00 0.12 0.00 0.00 56.93 56.29 1mal s PHE 23 Cb -0.10 -2.15 0.02 0.00 -0.57 0.00 0.00 43.02 40.22 1mal s PHE 23 CO 0.05 -0.53 -0.07 -1.14 -0.10 0.00 0.00 175.22 173.42 1mal s GLN 24 N 1.50 1.20 0.09 0.44 0.74 -1.26 -4.68 119.66 117.68 1mal s GLN 24 Ca 0.05 -0.22 -0.31 0.00 0.05 0.00 0.00 55.36 54.93 1mal s GLN 24 Cb -0.15 -1.12 -0.09 0.00 1.10 0.00 0.00 33.01 32.75 1mal s GLN 24 CO -0.01 -0.07 1.69 0.99 -0.55 0.00 0.00 175.29 177.34 1mal s THR 25 N 0.95 2.88 -0.14 -0.34 2.01 -1.26 -4.91 115.64 114.82 1mal s THR 25 Ca -0.10 0.37 -0.34 0.00 0.31 0.00 0.00 61.69 61.93 1mal s THR 25 Cb -0.15 -3.24 -0.11 0.00 0.01 0.00 0.00 72.50 69.01 1mal s THR 25 CO 0.00 0.00 1.94 0.41 -0.69 0.00 0.00 174.62 176.29 1mal n THR 26 N 4.68 0.51 0.00 -0.82 -1.04 -1.26 -0.50 114.28 115.85 1mal n THR 26 Ca 0.16 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1mal n THR 26 Cb 0.40 -1.87 0.00 0.00 -1.82 0.00 0.00 70.33 67.04 1mal n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1mal n GLY 27 N 4.77 2.25 3.88 3.41 0.00 -1.26 -4.88 105.19 113.36 1mal n GLY 27 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 1mal n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mal s ALA 28 N -2.33 3.23 -0.30 4.61 0.00 0.35 -5.00 121.76 122.32 1mal s ALA 28 Ca 0.00 -0.23 0.15 0.00 0.00 0.00 0.00 51.96 51.88 1mal s ALA 28 Cb 0.00 -2.87 0.71 0.00 0.00 0.00 0.00 23.12 20.97 1mal s ALA 28 CO 0.00 -0.46 1.63 1.04 0.00 0.00 0.00 175.76 177.96 1mal n GLN 29 N -2.34 4.14 -3.59 0.00 6.02 -1.26 -4.90 117.38 115.46 1mal n GLN 29 Ca 0.04 -3.03 -0.08 0.00 -0.01 0.00 0.00 57.00 53.92 1mal n GLN 29 Cb 0.54 -2.09 -0.02 0.00 1.02 0.00 0.00 30.24 29.70 1mal n GLN 29 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1mal s SER 30 N -1.18 -0.34 0.16 1.08 1.04 -1.26 -4.96 113.70 108.24 1mal s SER 30 Ca 0.50 -0.17 0.06 0.00 0.48 0.00 0.00 55.95 56.82 1mal s SER 30 Cb 0.38 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.95 1mal s SER 30 CO 0.14 -0.84 -0.14 -1.59 0.98 0.00 0.00 173.24 171.79 1mal s LYS 31 N -3.37 1.16 -0.49 4.02 -2.85 -1.26 -4.59 119.74 112.35 1mal s LYS 31 Ca 0.07 -1.41 -0.26 0.00 -1.00 0.00 0.00 55.97 53.37 1mal s LYS 31 Cb -0.02 -0.96 0.03 0.00 -2.06 0.00 0.00 37.83 34.82 1mal s LYS 31 CO -0.05 0.17 0.96 0.71 0.10 0.00 0.00 175.35 177.24 1mal s TYR 32 N -2.64 2.86 0.29 1.78 2.02 -1.26 -4.45 117.35 115.95 1mal s TYR 32 Ca 0.16 0.32 0.04 0.00 -0.37 0.00 0.00 57.07 57.22 1mal s TYR 32 Cb -0.02 -4.07 0.69 0.00 -0.40 0.00 0.00 41.96 38.16 1mal s TYR 32 CO 0.04 -1.20 1.75 0.07 -1.57 0.00 0.00 175.55 174.64 1mal h ARG 33 N 9.17 0.59 -6.08 -0.62 0.11 -1.70 -3.42 114.38 112.43 1mal h ARG 33 Ca -0.24 -0.04 -0.76 0.00 0.10 0.00 0.00 59.98 59.04 1mal h ARG 33 Cb 1.07 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 32.02 1mal h ARG 33 CO 1.06 0.39 0.99 -0.11 0.10 0.00 0.00 179.97 182.40 1mal n LEU 34 N -4.88 2.00 -3.33 0.08 0.00 -1.26 -0.25 117.00 109.35 1mal n LEU 34 Ca 0.22 0.96 -0.24 0.00 0.00 0.00 0.00 56.01 56.94 1mal n LEU 34 Cb 0.57 -1.09 0.04 0.00 0.00 0.00 0.00 43.42 42.94 1mal n LEU 34 CO 0.18 -0.57 0.08 0.61 0.00 0.00 0.00 177.39 177.69 1mal n GLY 35 N 4.86 -0.52 2.43 -3.96 0.00 -1.26 -4.85 105.19 101.89 1mal n GLY 35 Ca 0.32 0.17 -0.01 0.00 0.00 0.00 0.00 46.02 46.50 1mal n GLY 35 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mal n ASN 36 N -2.68 -0.12 -4.08 1.61 5.15 0.65 -4.72 115.26 111.08 1mal n ASN 36 Ca -0.05 -2.10 -0.28 0.00 -0.60 0.00 0.00 54.58 51.55 1mal n ASN 36 Cb 0.58 0.14 -0.17 0.00 -0.53 0.00 0.00 39.78 39.81 1mal n ASN 36 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1mal s GLU 37 N -1.28 2.18 -0.38 1.20 2.02 -1.25 -4.72 118.70 116.47 1mal s GLU 37 Ca 0.17 -0.56 0.06 0.00 0.02 0.00 0.00 54.97 54.65 1mal s GLU 37 Cb 0.35 -1.78 0.48 0.00 0.10 0.00 0.00 34.13 33.28 1mal s GLU 37 CO -0.09 0.02 1.49 0.00 0.02 0.00 0.00 175.26 176.71 1mal s GLU 39 N -3.52 1.19 -0.25 0.00 8.01 -1.26 -4.90 118.70 117.97 1mal s GLU 39 Ca 0.52 -1.26 -0.08 0.00 0.01 0.00 0.00 54.97 54.16 1mal s GLU 39 Cb 0.43 0.36 -0.03 0.00 -4.31 0.00 0.00 34.13 30.59 1mal s GLU 39 CO 0.01 -0.43 0.08 0.99 0.01 0.00 0.00 175.26 175.92 1mal s THR 40 N -4.00 4.38 0.05 3.63 2.01 -0.51 -4.54 115.64 116.66 1mal s THR 40 Ca 0.21 -0.15 0.07 0.00 0.31 0.00 0.00 61.69 62.13 1mal s THR 40 Cb 0.04 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 1mal s THR 40 CO 0.03 0.33 -0.20 -0.47 -0.69 0.00 0.00 174.62 173.61 1mal s TYR 41 N 1.63 1.74 -0.24 4.92 5.04 -0.90 -1.57 117.35 127.96 1mal s TYR 41 Ca 0.06 -0.38 -0.21 0.00 -2.44 0.00 0.00 57.07 54.10 1mal s TYR 41 Cb -0.15 -1.02 0.06 0.00 0.35 0.00 0.00 41.96 41.20 1mal s TYR 41 CO 0.04 0.10 0.64 0.00 -1.34 0.00 0.00 175.55 175.00 1mal s ALA 42 N -0.87 -1.61 -0.16 3.97 0.00 0.11 -1.51 121.76 121.69 1mal s ALA 42 Ca 0.07 1.89 0.01 0.00 0.00 0.00 0.00 51.96 53.93 1mal s ALA 42 Cb -0.09 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 21.95 1mal s ALA 42 CO 0.02 -0.31 -0.19 -1.21 0.00 0.00 0.00 175.76 174.07 1mal s GLU 43 N 0.55 2.84 -0.31 0.00 2.02 0.20 -1.24 118.70 122.75 1mal s GLU 43 Ca -0.02 -0.77 -0.08 0.00 0.02 0.00 0.00 54.97 54.12 1mal s GLU 43 Cb -0.05 -2.43 0.01 0.00 0.10 0.00 0.00 34.13 31.77 1mal s GLU 43 CO -0.02 -0.17 0.11 -0.51 0.02 0.00 0.00 175.26 174.69 1mal s LEU 44 N 1.21 4.03 -0.11 1.80 1.43 -0.68 -2.78 118.68 123.58 1mal s LEU 44 Ca 0.02 -0.77 -0.05 0.00 -1.03 0.00 0.00 54.13 52.31 1mal s LEU 44 Cb -0.14 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 1mal s LEU 44 CO -0.10 -0.23 0.07 -0.54 0.23 0.00 0.00 176.35 175.78 1mal s LYS 45 N 1.51 3.25 -0.22 1.70 1.02 0.25 -2.36 119.74 124.90 1mal s LYS 45 Ca 0.02 -0.28 -0.04 0.00 0.02 0.00 0.00 55.97 55.69 1mal s LYS 45 Cb -0.18 -3.00 0.07 0.00 -0.52 0.00 0.00 37.83 34.21 1mal s LYS 45 CO 0.03 0.71 0.10 -0.51 -0.92 0.00 0.00 175.35 174.77 1mal s LEU 46 N -0.88 0.53 0.00 3.17 1.43 -1.23 -1.77 118.68 119.94 1mal s LEU 46 Ca 0.13 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.36 1mal s LEU 46 Cb -0.12 -0.33 -0.01 0.00 0.03 0.00 0.00 46.19 45.77 1mal s LEU 46 CO 0.03 -0.38 0.05 0.61 0.23 0.00 0.00 176.35 176.89 1mal n GLY 47 N 5.24 3.56 3.65 -3.19 0.00 -0.62 -3.57 105.19 110.25 1mal n GLY 47 Ca -0.07 -2.24 -0.01 0.00 0.00 0.00 0.00 46.02 43.71 1mal n GLY 47 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1mal s GLN 48 N -3.42 0.11 -0.37 1.61 0.74 0.06 -0.43 119.66 117.96 1mal s GLN 48 Ca 0.07 0.16 -0.29 0.00 0.05 0.00 0.00 55.36 55.35 1mal s GLN 48 Cb 0.00 0.04 0.00 0.00 1.10 0.00 0.00 33.01 34.16 1mal s GLN 48 CO 0.05 -0.02 1.45 -2.00 -0.55 0.00 0.00 175.29 174.23 1mal s GLU 49 N 0.55 3.62 0.00 1.67 2.12 -1.26 -2.04 118.70 123.35 1mal s GLU 49 Ca -0.00 1.09 0.24 0.00 0.36 0.00 0.00 54.97 56.66 1mal s GLU 49 Cb -0.04 -4.02 0.31 0.00 0.26 0.00 0.00 34.13 30.64 1mal s GLU 49 CO -0.13 -1.51 1.28 1.33 -0.54 0.00 0.00 175.26 175.69 1mal n VAL 50 N 6.93 0.00 -3.63 3.70 0.24 0.36 -4.90 118.33 121.04 1mal n VAL 50 Ca 0.17 -0.07 -0.04 0.00 -2.04 0.00 0.00 64.34 62.37 1mal n VAL 50 Cb 0.47 0.61 -0.06 0.00 -1.47 0.00 0.00 33.84 33.39 1mal n VAL 50 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1mal s TRP 51 N -2.81 -0.78 -0.03 6.34 -0.00 -1.21 -4.97 118.94 115.48 1mal s TRP 51 Ca 0.14 1.54 0.01 0.00 -0.00 0.00 0.00 56.10 57.79 1mal s TRP 51 Cb 0.18 0.47 0.01 0.00 -0.00 0.00 0.00 33.47 34.13 1mal s TRP 51 CO 0.68 -0.39 -0.04 0.21 -0.00 0.00 0.00 176.95 177.42 1mal s LYS 52 N 1.58 0.56 -0.41 5.86 2.20 -1.26 -0.94 119.74 127.34 1mal s LYS 52 Ca -0.09 -0.09 0.04 0.00 -0.36 0.00 0.00 55.97 55.47 1mal s LYS 52 Cb -0.05 -0.60 0.17 0.00 -1.51 0.00 0.00 37.83 35.84 1mal s LYS 52 CO -0.17 -0.03 0.36 -1.21 -0.36 0.00 0.00 175.35 173.94 1mal s GLU 53 N 0.59 0.84 4.25 4.03 2.02 0.13 -4.98 118.70 125.59 1mal s GLU 53 Ca -0.07 -1.80 0.00 0.00 0.02 0.00 0.00 54.97 53.13 1mal s GLU 53 Cb -0.10 -1.21 0.00 0.00 0.10 0.00 0.00 34.13 32.91 1mal s GLU 53 CO -0.00 -1.34 0.00 0.41 0.02 0.00 0.00 175.26 174.34 1mal n GLY 54 N 3.14 1.57 0.08 -1.39 0.00 -1.26 -3.18 105.19 104.16 1mal n GLY 54 Ca 0.25 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 1mal n GLY 54 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mal h ASP 55 N 0.00 0.05 -3.11 1.61 5.19 -1.96 -3.47 116.42 114.74 1mal h ASP 55 Ca 0.00 -0.10 -0.53 0.00 -0.62 0.00 0.00 57.03 55.79 1mal h ASP 55 Cb 0.00 -0.02 0.03 0.00 0.18 0.00 0.00 39.33 39.53 1mal h ASP 55 CO 0.00 1.08 0.74 -0.54 -3.12 0.00 0.00 179.24 177.41 1mal s LYS 56 N -2.62 4.31 0.10 3.56 1.02 -1.19 -4.75 119.74 120.17 1mal s LYS 56 Ca -0.05 2.16 -0.19 0.00 0.02 0.00 0.00 55.97 57.92 1mal s LYS 56 Cb 0.08 -3.20 0.04 0.00 -0.52 0.00 0.00 37.83 34.24 1mal s LYS 56 CO 0.82 -0.43 0.45 -1.54 -0.92 0.00 0.00 175.35 173.74 1mal s SER 57 N 0.83 -0.33 -0.16 2.83 1.04 -1.19 0.23 113.70 116.95 1mal s SER 57 Ca 0.63 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.93 1mal s SER 57 Cb -0.39 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.25 1mal s SER 57 CO 0.34 -0.81 -0.09 -0.36 0.98 0.00 0.00 173.24 173.30 1mal s PHE 58 N -3.33 1.95 -0.12 5.02 0.08 -0.11 -1.89 117.98 119.58 1mal s PHE 58 Ca -0.00 -1.19 -0.05 0.00 0.12 0.00 0.00 56.93 55.80 1mal s PHE 58 Cb 0.01 -1.44 -0.04 0.00 -0.57 0.00 0.00 43.02 40.98 1mal s PHE 58 CO -0.09 -0.64 0.07 -0.47 -0.10 0.00 0.00 175.22 173.99 1mal s TYR 59 N 1.55 3.37 -0.13 0.36 5.04 -0.43 -0.49 117.35 126.62 1mal s TYR 59 Ca 0.02 0.32 -0.02 0.00 -2.44 0.00 0.00 57.07 54.95 1mal s TYR 59 Cb -0.15 -1.90 -0.02 0.00 0.35 0.00 0.00 41.96 40.23 1mal s TYR 59 CO -0.08 0.53 -0.07 0.12 -1.34 0.00 0.00 175.55 174.71 1mal s PHE 60 N -0.73 2.95 -0.00 4.97 5.36 -0.87 -1.55 117.98 128.12 1mal s PHE 60 Ca 0.12 -0.30 0.01 0.00 -0.96 0.00 0.00 56.93 55.80 1mal s PHE 60 Cb -0.12 -1.87 -0.00 0.00 -0.34 0.00 0.00 43.02 40.69 1mal s PHE 60 CO 0.03 0.01 -0.04 0.34 -1.46 0.00 0.00 175.22 174.10 1mal s ASP 61 N 0.07 0.42 0.09 6.13 2.15 -0.82 -0.76 116.67 123.94 1mal s ASP 61 Ca -0.02 -0.09 -0.00 0.00 0.43 0.00 0.00 52.55 52.87 1mal s ASP 61 Cb -0.14 -0.04 -0.04 0.00 -0.30 0.00 0.00 42.92 42.40 1mal s ASP 61 CO 0.03 0.03 -0.01 0.42 -0.17 0.00 0.00 175.17 175.47 1mal s THR 62 N -0.14 0.32 -0.24 1.71 -4.23 -1.23 -1.74 115.64 110.08 1mal s THR 62 Ca 0.01 -1.87 -0.07 0.00 -1.18 0.00 0.00 61.69 58.58 1mal s THR 62 Cb -0.02 -1.72 0.12 0.00 1.34 0.00 0.00 72.50 72.22 1mal s THR 62 CO -0.00 -0.81 0.50 0.21 -0.54 0.00 0.00 174.62 173.98 1mal s ASN 63 N -2.99 -0.55 -0.21 3.99 3.04 -0.19 -3.52 114.94 114.50 1mal s ASN 63 Ca 0.13 1.05 -0.03 0.00 0.04 0.00 0.00 52.86 54.05 1mal s ASN 63 Cb 0.07 1.67 -0.01 0.00 -1.54 0.00 0.00 41.25 41.45 1mal s ASN 63 CO -0.05 -0.24 -0.06 -0.69 -3.04 0.00 0.00 177.10 173.01 1mal s VAL 64 N 2.71 3.21 0.00 -5.21 1.01 -1.00 -1.91 120.40 119.22 1mal s VAL 64 Ca 0.01 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 1mal s VAL 64 Cb -0.13 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1mal s VAL 64 CO -0.16 0.44 0.11 0.00 0.00 0.00 0.00 175.10 175.50 1mal s ALA 65 N 1.38 3.69 -0.04 5.51 0.00 -0.82 -1.68 121.76 129.80 1mal s ALA 65 Ca 0.05 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.17 1mal s ALA 65 Cb -0.14 -1.65 0.01 0.00 0.00 0.00 0.00 23.12 21.34 1mal s ALA 65 CO -0.04 0.71 -0.10 0.71 0.00 0.00 0.00 175.76 177.05 1mal s TYR 66 N -1.26 1.07 -0.06 0.00 1.51 -0.37 -1.25 117.35 116.99 1mal s TYR 66 Ca 0.25 -0.30 -0.00 0.00 -1.01 0.00 0.00 57.07 56.01 1mal s TYR 66 Cb -0.12 -0.78 0.02 0.00 -0.11 0.00 0.00 41.96 40.97 1mal s TYR 66 CO 0.16 -0.14 -0.03 0.45 -1.11 0.00 0.00 175.55 174.88 1mal s SER 67 N 0.34 1.32 0.14 2.29 0.15 -1.26 -0.72 113.70 115.97 1mal s SER 67 Ca -0.06 -0.12 -0.01 0.00 0.70 0.00 0.00 55.95 56.46 1mal s SER 67 Cb -0.11 -0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 63.69 1mal s SER 67 CO 0.01 -0.12 0.05 0.68 1.20 0.00 0.00 173.24 175.06 1mal s VAL 68 N 1.46 0.19 -1.45 4.45 -7.23 -0.61 -4.97 120.40 112.24 1mal s VAL 68 Ca -0.03 -1.93 0.29 0.00 -1.81 0.00 0.00 61.98 58.50 1mal s VAL 68 Cb -0.13 -2.09 0.39 0.00 0.56 0.00 0.00 36.38 35.11 1mal s VAL 68 CO -0.03 -0.43 1.86 0.00 -0.31 0.00 0.00 175.10 176.18 1mal n ALA 69 N -0.13 2.73 -4.00 1.32 0.00 -1.26 -1.43 120.51 117.74 1mal n ALA 69 Ca -0.05 -0.23 -0.30 0.00 0.00 0.00 0.00 53.44 52.86 1mal n ALA 69 Cb 0.64 -1.36 -0.00 0.00 0.00 0.00 0.00 19.45 18.73 1mal n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mal n GLN 70 N -1.15 -4.07 0.00 0.00 10.64 -1.26 -4.79 117.38 116.75 1mal n GLN 70 Ca 0.12 0.47 0.00 0.00 -1.83 0.00 0.00 57.00 55.77 1mal n GLN 70 Cb 0.29 -5.06 0.00 0.00 -0.86 0.00 0.00 30.24 24.61 1mal n GLN 70 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1mal n GLN 71 N -4.46 1.87 -3.57 2.61 3.00 -1.26 -4.97 117.38 110.60 1mal n GLN 71 Ca -0.09 -1.20 -0.09 0.00 -0.01 0.00 0.00 57.00 55.61 1mal n GLN 71 Cb 0.58 -0.98 -0.02 0.00 0.00 0.00 0.00 30.24 29.82 1mal n GLN 71 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1mal s ASN 72 N -0.71 -0.42 0.00 1.08 0.01 -1.26 -5.11 114.94 108.54 1mal s ASN 72 Ca 0.00 -0.18 0.00 0.00 -0.71 0.00 0.00 52.86 51.97 1mal s ASN 72 Cb 0.00 0.57 0.00 0.00 0.41 0.00 0.00 41.25 42.23 1mal s ASN 72 CO 0.00 -0.97 0.31 -0.67 -1.51 0.00 0.00 177.10 174.25 1mal n ASP 73 N -0.38 0.00 -4.55 -1.22 2.03 -1.26 -4.54 116.55 106.63 1mal n ASP 73 Ca -0.11 0.33 -0.38 0.00 0.52 0.00 0.00 54.79 55.15 1mal n ASP 73 Cb 0.63 -0.05 -0.03 0.00 -0.72 0.00 0.00 41.12 40.94 1mal n ASP 73 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1mal s TRP 74 N -0.71 1.58 -0.33 -0.67 -0.11 -1.26 -4.94 118.94 112.50 1mal s TRP 74 Ca 0.00 0.90 0.03 0.00 1.22 0.00 0.00 56.10 58.25 1mal s TRP 74 Cb 0.00 -4.01 0.10 0.00 -1.50 0.00 0.00 33.47 28.05 1mal s TRP 74 CO 0.00 -2.32 0.05 -1.21 -4.62 0.00 0.00 176.95 168.85 1mal s GLU 75 N 7.23 1.36 0.58 5.86 2.02 -1.26 -5.11 118.70 129.38 1mal s GLU 75 Ca 0.72 -1.65 -0.17 0.00 0.02 0.00 0.00 54.97 53.88 1mal s GLU 75 Cb -0.13 -2.92 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 1mal s GLU 75 CO 0.21 -0.92 1.08 0.00 0.02 0.00 0.00 175.26 175.65 1mal s ALA 76 N 1.08 2.69 0.00 5.21 0.00 -1.26 -5.04 121.76 124.44 1mal s ALA 76 Ca 0.09 0.54 -0.28 0.00 0.00 0.00 0.00 51.96 52.31 1mal s ALA 76 Cb -0.19 -3.28 0.08 0.00 0.00 0.00 0.00 23.12 19.74 1mal s ALA 76 CO -0.11 -0.83 0.74 -0.08 0.00 0.00 0.00 175.76 175.48 1mal s THR 77 N -2.22 0.00 -0.35 0.00 -1.32 -1.26 -5.07 115.64 105.41 1mal s THR 77 Ca 0.67 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.93 1mal s THR 77 Cb -0.19 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.81 1mal s THR 77 CO 0.33 0.00 0.69 -1.81 -2.21 0.00 0.00 174.62 171.63 1mal s ASP 78 N -1.86 6.49 0.56 8.08 1.11 -1.26 -5.06 116.67 124.72 1mal s ASP 78 Ca -0.03 0.26 -0.10 0.00 0.18 0.00 0.00 52.55 52.86 1mal s ASP 78 Cb -0.01 -2.35 -0.04 0.00 1.07 0.00 0.00 42.92 41.59 1mal s ASP 78 CO -0.01 -0.63 0.94 -2.16 1.18 0.00 0.00 175.17 174.48 1mal s PRO 79 N 2.85 3.62 -0.25 8.23 0.04 -1.26 -4.88 135.00 143.36 1mal s PRO 79 Ca 0.27 0.58 -0.07 0.00 0.04 0.00 0.00 61.00 61.83 1mal s PRO 79 Cb -0.14 -2.19 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 1mal s PRO 79 CO 0.15 -0.40 0.05 0.00 0.04 0.00 0.00 177.00 176.84 1mal s ALA 80 N -2.95 3.08 -0.96 8.56 0.00 -0.38 -4.94 121.76 124.16 1mal s ALA 80 Ca 0.53 -1.16 -0.24 0.00 0.00 0.00 0.00 51.96 51.09 1mal s ALA 80 Cb -0.11 -2.00 0.03 0.00 0.00 0.00 0.00 23.12 21.04 1mal s ALA 80 CO 0.48 -0.51 1.55 0.12 0.00 0.00 0.00 175.76 177.40 1mal s PHE 81 N 1.58 2.34 0.05 0.00 5.36 -1.26 -1.95 117.98 124.09 1mal s PHE 81 Ca 0.06 -0.43 0.05 0.00 -0.96 0.00 0.00 56.93 55.65 1mal s PHE 81 Cb -0.15 -4.54 -0.24 0.00 -0.34 0.00 0.00 43.02 37.75 1mal s PHE 81 CO 0.02 -1.92 1.01 0.00 -1.46 0.00 0.00 175.22 172.87 1mal h ARG 82 N 10.26 0.08 -3.90 10.12 3.08 -1.77 -3.47 114.38 128.77 1mal h ARG 82 Ca 0.13 -0.13 -0.26 0.00 0.07 0.00 0.00 59.98 59.78 1mal h ARG 82 Cb 1.02 0.05 -0.28 0.00 0.08 0.00 0.00 29.97 30.83 1mal h ARG 82 CO 1.37 0.91 -0.73 -1.83 -1.07 0.00 0.00 179.97 178.62 1mal s GLU 83 N -2.66 0.14 -0.45 0.04 -1.05 -1.11 -4.51 118.70 109.10 1mal s GLU 83 Ca -0.03 -0.05 0.07 0.00 -0.15 0.00 0.00 54.97 54.81 1mal s GLU 83 Cb 0.09 -0.14 0.18 0.00 -0.44 0.00 0.00 34.13 33.81 1mal s GLU 83 CO 0.83 0.03 0.64 0.00 0.95 0.00 0.00 175.26 177.71 1mal s ALA 84 N 0.01 -1.91 0.30 -0.84 0.00 0.70 -1.02 121.76 119.00 1mal s ALA 84 Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.70 1mal s ALA 84 Cb -0.01 -2.62 -0.06 0.00 0.00 0.00 0.00 23.12 20.43 1mal s ALA 84 CO -0.00 -2.21 0.08 0.54 0.00 0.00 0.00 175.76 174.16 1mal s ASN 85 N 1.31 1.96 -0.06 0.00 2.20 -0.71 -2.52 114.94 117.12 1mal s ASN 85 Ca 0.23 -1.39 0.01 0.00 -0.94 0.00 0.00 52.86 50.77 1mal s ASN 85 Cb -0.03 0.03 0.02 0.00 -2.00 0.00 0.00 41.25 39.27 1mal s ASN 85 CO -0.06 -0.67 -0.08 -0.69 -2.94 0.00 0.00 177.10 172.66 1mal s VAL 86 N -3.46 0.81 -0.10 3.54 1.01 -0.95 -1.95 120.40 119.31 1mal s VAL 86 Ca 0.37 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1mal s VAL 86 Cb 0.08 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 1mal s VAL 86 CO 0.15 0.29 -0.19 -1.10 0.00 0.00 0.00 175.10 174.25 1mal s GLN 87 N 0.89 3.09 -0.30 2.72 -0.21 -0.59 -2.70 119.66 122.55 1mal s GLN 87 Ca -0.11 -0.80 -0.00 0.00 0.02 0.00 0.00 55.36 54.47 1mal s GLN 87 Cb -0.15 -2.42 0.06 0.00 1.00 0.00 0.00 33.01 31.51 1mal s GLN 87 CO 0.01 0.25 -0.00 0.20 -2.12 0.00 0.00 175.29 173.62 1mal s GLY 88 N 0.22 1.77 0.01 3.09 0.00 0.09 -1.32 107.32 111.18 1mal s GLY 88 Ca -0.12 -1.89 -0.19 0.00 0.00 0.00 0.00 44.72 42.52 1mal s GLY 88 CO 0.07 0.72 0.54 0.54 0.00 0.00 0.00 173.10 174.97 1mal s LYS 89 N 1.18 4.20 -1.62 2.90 1.02 -0.79 -2.26 119.74 124.37 1mal s LYS 89 Ca -0.04 0.64 0.00 0.00 0.02 0.00 0.00 55.97 56.59 1mal s LYS 89 Cb -0.20 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 1mal s LYS 89 CO -0.03 0.50 0.00 0.09 -0.92 0.00 0.00 175.35 174.99 1mal n ASN 90 N 2.31 -5.35 0.22 2.83 3.02 -0.96 -3.14 115.26 114.18 1mal n ASN 90 Ca -0.09 0.38 0.15 0.00 -0.03 0.00 0.00 54.58 54.98 1mal n ASN 90 Cb 0.51 -4.20 0.55 0.00 -0.61 0.00 0.00 39.78 36.03 1mal n ASN 90 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1mal h LEU 91 N 0.00 0.00 -8.07 3.41 3.38 -1.76 -3.41 115.31 108.86 1mal h LEU 91 Ca -0.31 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 56.95 1mal h LEU 91 Cb 1.17 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.62 1mal h LEU 91 CO 0.46 0.00 -0.52 -0.63 0.09 0.00 0.00 178.44 177.84 1mal s ILE 92 N -3.47 3.91 0.14 1.22 1.01 -1.26 -5.00 121.20 117.75 1mal s ILE 92 Ca 0.03 -1.48 -0.30 0.00 0.00 0.00 0.00 60.65 58.91 1mal s ILE 92 Cb 0.09 -3.41 -0.06 0.00 0.01 0.00 0.00 42.46 39.09 1mal s ILE 92 CO 0.52 -0.46 1.56 -0.33 0.00 0.00 0.00 174.94 176.23 1mal h GLU 93 N 8.29 -0.39 0.00 2.79 5.08 -1.99 -2.45 114.58 125.91 1mal h GLU 93 Ca -0.21 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1mal h GLU 93 Cb 1.07 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1mal h GLU 93 CO 0.71 -0.26 0.04 0.11 -1.00 0.00 0.00 179.01 178.61 1mal h TRP 94 N -0.40 0.00 -2.85 4.33 0.09 -1.98 -3.24 115.95 111.90 1mal h TRP 94 Ca 0.10 0.00 -0.60 0.00 0.09 0.00 0.00 58.89 58.47 1mal h TRP 94 Cb 0.61 0.00 -0.40 0.00 0.08 0.00 0.00 29.16 29.45 1mal h TRP 94 CO -0.65 0.00 -0.77 -0.51 0.09 0.00 0.00 178.44 176.60 1mal s LEU 95 N -4.68 2.51 0.57 0.11 1.43 -0.92 -5.12 118.68 112.58 1mal s LEU 95 Ca -0.03 -2.77 -0.17 0.00 -1.03 0.00 0.00 54.13 50.12 1mal s LEU 95 Cb 0.07 -0.93 -0.05 0.00 0.03 0.00 0.00 46.19 45.31 1mal s LEU 95 CO 0.22 -0.24 1.07 -2.16 0.23 0.00 0.00 176.35 175.47 1mal s PRO 96 N 0.20 3.37 0.00 1.29 0.04 -1.23 -3.70 135.00 134.97 1mal s PRO 96 Ca 0.21 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1mal s PRO 96 Cb -0.18 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1mal s PRO 96 CO -0.05 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.62 1mal n GLY 97 N -0.51 0.44 3.92 0.56 0.00 -1.26 -4.45 105.19 103.89 1mal n GLY 97 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1mal n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mal s SER 98 N -2.32 6.28 0.04 1.61 1.04 -1.24 -4.80 113.70 114.32 1mal s SER 98 Ca 0.00 0.20 0.05 0.00 0.48 0.00 0.00 55.95 56.68 1mal s SER 98 Cb 0.00 -1.90 -0.04 0.00 0.10 0.00 0.00 66.02 64.19 1mal s SER 98 CO 0.00 0.11 -0.10 -0.89 0.98 0.00 0.00 173.24 173.35 1mal s THR 99 N -1.62 3.40 -0.04 2.02 2.01 -0.23 -2.27 115.64 118.91 1mal s THR 99 Ca 0.34 -1.02 0.06 0.00 0.31 0.00 0.00 61.69 61.39 1mal s THR 99 Cb -0.12 -2.51 -0.02 0.00 0.01 0.00 0.00 72.50 69.87 1mal s THR 99 CO 0.28 0.29 -0.24 0.27 -0.69 0.00 0.00 174.62 174.53 1mal s ILE 100 N -1.06 2.21 0.07 1.82 -4.36 -0.96 0.80 121.20 119.73 1mal s ILE 100 Ca 0.18 -1.03 -0.03 0.00 -0.26 0.00 0.00 60.65 59.51 1mal s ILE 100 Cb -0.11 -1.80 -0.03 0.00 1.25 0.00 0.00 42.46 41.77 1mal s ILE 100 CO 0.09 0.58 0.05 -1.66 0.24 0.00 0.00 174.94 174.24 1mal s TRP 101 N -0.39 0.46 -0.19 1.37 1.48 -0.73 -0.73 118.94 120.20 1mal s TRP 101 Ca 0.03 -0.95 -0.21 0.00 -1.06 0.00 0.00 56.10 53.91 1mal s TRP 101 Cb -0.12 -0.30 0.06 0.00 -1.16 0.00 0.00 33.47 31.94 1mal s TRP 101 CO 0.02 -0.45 0.57 0.00 -4.06 0.00 0.00 176.95 173.03 1mal s ALA 102 N -3.92 -1.42 0.00 2.67 0.00 -1.10 -2.23 121.76 115.76 1mal s ALA 102 Ca 0.09 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1mal s ALA 102 Cb 0.07 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.37 1mal s ALA 102 CO -0.09 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1mal n GLY 103 N 2.55 1.17 3.63 0.00 0.00 -0.33 -2.23 105.19 109.98 1mal n GLY 103 Ca -0.14 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.42 1mal n GLY 103 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mal s LYS 104 N -1.09 3.99 -0.04 1.61 2.20 -1.05 -2.12 119.74 123.25 1mal s LYS 104 Ca 0.00 0.90 -0.05 0.00 -0.36 0.00 0.00 55.97 56.46 1mal s LYS 104 Cb 0.00 -3.76 0.01 0.00 -1.51 0.00 0.00 37.83 32.57 1mal s LYS 104 CO 0.00 -0.91 0.13 0.50 -0.36 0.00 0.00 175.35 174.71 1mal s ARG 105 N 3.59 0.23 -0.25 4.03 3.52 -0.90 -0.22 118.95 128.96 1mal s ARG 105 Ca 0.43 0.03 -0.29 0.00 -0.13 0.00 0.00 55.73 55.77 1mal s ARG 105 Cb -0.12 0.10 -0.01 0.00 -1.56 0.00 0.00 34.95 33.36 1mal s ARG 105 CO 0.17 -0.04 1.38 -0.06 -0.81 0.00 0.00 175.30 175.94 1mal s PHE 106 N -0.29 2.55 -0.37 5.12 0.08 -1.26 -3.06 117.98 120.75 1mal s PHE 106 Ca -0.04 0.79 -0.06 0.00 0.12 0.00 0.00 56.93 57.75 1mal s PHE 106 Cb -0.03 -3.85 0.06 0.00 -0.57 0.00 0.00 43.02 38.63 1mal s PHE 106 CO 0.00 -2.07 0.15 -0.47 -0.10 0.00 0.00 175.22 172.74 1mal s TYR 107 N 4.39 3.33 -0.95 0.36 5.04 -1.26 -4.81 117.35 123.45 1mal s TYR 107 Ca 0.60 -1.64 -0.11 0.00 -2.44 0.00 0.00 57.07 53.49 1mal s TYR 107 Cb -0.20 -2.60 0.01 0.00 0.35 0.00 0.00 41.96 39.52 1mal s TYR 107 CO 0.23 -0.81 0.68 1.04 -1.34 0.00 0.00 175.55 175.36 1mal n GLN 108 N 4.79 -1.21 -2.86 4.97 6.02 -1.26 -4.51 117.38 123.32 1mal n GLN 108 Ca -0.10 0.70 -0.40 0.00 -0.01 0.00 0.00 57.00 57.19 1mal n GLN 108 Cb 0.44 -3.38 -0.05 0.00 1.02 0.00 0.00 30.24 28.26 1mal n GLN 108 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1mal s ARG 109 N -5.26 4.64 -0.16 -1.09 0.52 -1.26 -4.80 118.95 111.54 1mal s ARG 109 Ca 0.20 1.28 -0.02 0.00 -0.52 0.00 0.00 55.73 56.67 1mal s ARG 109 Cb -0.09 -3.33 -0.02 0.00 0.52 0.00 0.00 34.95 32.04 1mal s ARG 109 CO 0.87 0.36 -0.09 -1.01 0.02 0.00 0.00 175.30 175.46 1mal s HIS 110 N -0.45 2.90 0.29 -0.53 3.76 -0.17 -5.00 115.29 116.08 1mal s HIS 110 Ca 0.41 -0.61 0.02 0.00 -0.15 0.00 0.00 55.06 54.73 1mal s HIS 110 Cb -0.23 -1.93 -0.03 0.00 1.11 0.00 0.00 32.58 31.51 1mal s HIS 110 CO 0.27 -0.23 0.27 0.16 -0.85 0.00 0.00 174.74 174.36 1mal s ASP 111 N 0.58 1.02 -0.32 1.40 -4.77 -1.26 -1.10 116.67 112.23 1mal s ASP 111 Ca -0.06 -1.57 0.02 0.00 -3.30 0.00 0.00 52.55 47.64 1mal s ASP 111 Cb -0.15 0.52 0.10 0.00 -1.09 0.00 0.00 42.92 42.30 1mal s ASP 111 CO 0.03 -1.03 0.07 -0.69 0.70 0.00 0.00 175.17 174.24 1mal s VAL 112 N -3.63 1.63 0.13 2.11 1.01 0.57 -4.89 120.40 117.34 1mal s VAL 112 Ca 0.38 -1.88 -0.25 0.00 0.00 0.00 0.00 61.98 60.23 1mal s VAL 112 Cb 0.03 -2.20 -0.06 0.00 0.00 0.00 0.00 36.38 34.16 1mal s VAL 112 CO 0.21 -0.61 1.43 1.57 0.00 0.00 0.00 175.10 177.70 1mal n HIS 113 N 4.53 -0.36 0.27 5.22 -0.00 -1.26 -1.64 115.22 121.98 1mal n HIS 113 Ca 0.01 1.03 0.18 0.00 0.46 0.00 0.00 57.72 59.39 1mal n HIS 113 Cb 0.42 -0.56 0.93 0.00 -0.12 0.00 0.00 29.99 30.65 1mal n HIS 113 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1mal h MET 114 N 0.00 0.00 -0.15 1.57 -0.00 -1.97 -0.54 114.93 113.84 1mal h MET 114 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.83 1mal h MET 114 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.94 1mal h MET 114 CO -0.77 0.00 0.00 0.44 -0.00 0.00 0.00 176.91 176.58 1mal n ILE 115 N -3.60 0.31 -3.14 -0.10 -5.35 -0.72 -2.07 119.36 104.69 1mal n ILE 115 Ca -0.01 -0.66 -0.22 0.00 -0.27 0.00 0.00 62.75 61.60 1mal n ILE 115 Cb 0.21 1.05 0.01 0.00 -1.74 0.00 0.00 39.64 39.18 1mal n ILE 115 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1mal n ASP 116 N 0.82 -4.58 -4.67 7.28 -0.08 -0.21 -4.20 116.55 110.91 1mal n ASP 116 Ca 0.11 -0.29 -0.36 0.00 -1.51 0.00 0.00 54.79 52.74 1mal n ASP 116 Cb 0.40 -3.76 -0.09 0.00 2.34 0.00 0.00 41.12 40.01 1mal n ASP 116 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1mal s PHE 117 N -2.98 3.32 -0.38 -0.67 5.36 -1.16 -4.91 117.98 116.56 1mal s PHE 117 Ca 0.32 0.19 -0.16 0.00 -0.96 0.00 0.00 56.93 56.33 1mal s PHE 117 Cb -0.16 -2.19 0.00 0.00 -0.34 0.00 0.00 43.02 40.33 1mal s PHE 117 CO 0.40 0.14 0.36 0.71 -1.46 0.00 0.00 175.22 175.36 1mal s TYR 118 N 0.70 3.20 -2.19 10.12 1.51 -1.26 -0.32 117.35 129.12 1mal s TYR 118 Ca 0.07 -0.25 0.26 0.00 -1.01 0.00 0.00 57.07 56.14 1mal s TYR 118 Cb -0.13 -2.70 0.64 0.00 -0.11 0.00 0.00 41.96 39.66 1mal s TYR 118 CO 0.01 -0.53 1.50 2.48 -1.11 0.00 0.00 175.55 177.90 1mal n TYR 119 N 5.38 0.00 -3.23 2.71 4.11 -0.26 -4.69 117.16 121.18 1mal n TYR 119 Ca -0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 57.78 1mal n TYR 119 Cb 0.48 -0.05 -0.03 0.00 -0.00 0.00 0.00 39.34 39.75 1mal n TYR 119 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.86 176.40 1mal s TRP 120 N -2.28 -1.40 -0.23 -3.48 -0.00 -1.09 -4.63 118.94 105.83 1mal s TRP 120 Ca 0.28 0.53 -0.03 0.00 -0.00 0.00 0.00 56.10 56.88 1mal s TRP 120 Cb 0.20 0.08 0.11 0.00 -0.00 0.00 0.00 33.47 33.85 1mal s TRP 120 CO 0.45 -1.05 0.25 0.34 -0.00 0.00 0.00 176.95 176.93 1mal s ASP 121 N 2.48 1.35 -0.24 5.86 2.15 -0.23 -1.00 116.67 127.04 1mal s ASP 121 Ca 0.11 -0.29 0.13 0.00 0.43 0.00 0.00 52.55 52.93 1mal s ASP 121 Cb -0.10 0.47 0.53 0.00 -0.30 0.00 0.00 42.92 43.52 1mal s ASP 121 CO -0.23 -0.34 1.47 2.30 -0.17 0.00 0.00 175.17 178.20 1mal n ILE 122 N 5.32 2.45 -1.49 4.11 -5.35 -1.26 -4.47 119.36 118.67 1mal n ILE 122 Ca -0.05 -2.23 -0.36 0.00 -0.27 0.00 0.00 62.75 59.85 1mal n ILE 122 Cb 0.49 -0.29 0.09 0.00 -1.74 0.00 0.00 39.64 38.18 1mal n ILE 122 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1mal n SER 123 N -0.79 1.52 0.00 7.28 7.64 -1.26 -4.76 113.62 123.24 1mal n SER 123 Ca 0.28 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1mal n SER 123 Cb 0.99 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 1mal n SER 123 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mal n GLY 124 N 0.84 -0.68 3.79 0.23 0.00 -1.17 -4.93 105.19 103.27 1mal n GLY 124 Ca 0.15 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 1mal n GLY 124 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1mal s PRO 125 N -1.99 2.88 0.00 1.61 0.02 -1.26 -2.11 135.00 134.15 1mal s PRO 125 Ca 0.00 1.21 0.00 0.00 0.02 0.00 0.00 61.00 62.23 1mal s PRO 125 Cb 0.00 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.55 1mal s PRO 125 CO 0.00 -1.16 0.00 0.41 -0.33 0.00 0.00 177.00 175.92 1mal n GLY 126 N -1.06 -1.11 3.44 0.52 0.00 -0.90 -1.95 105.19 104.12 1mal n GLY 126 Ca 0.09 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 1mal n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mal s ALA 127 N -1.00 -1.65 -0.11 4.61 0.00 -0.78 -1.19 121.76 121.64 1mal s ALA 127 Ca 0.00 0.60 -0.33 0.00 0.00 0.00 0.00 51.96 52.23 1mal s ALA 127 Cb 0.00 0.79 0.14 0.00 0.00 0.00 0.00 23.12 24.05 1mal s ALA 127 CO 0.00 -0.75 1.36 0.20 0.00 0.00 0.00 175.76 176.57 1mal s GLY 128 N -2.69 -0.41 -0.30 0.00 0.00 -0.95 -1.51 107.32 101.47 1mal s GLY 128 Ca 0.02 1.09 -0.04 0.00 0.00 0.00 0.00 44.72 45.79 1mal s GLY 128 CO -0.12 0.27 0.03 -2.27 0.00 0.00 0.00 173.10 171.01 1mal s LEU 129 N -2.75 3.81 0.02 0.66 2.96 -0.51 -1.78 118.68 121.09 1mal s LEU 129 Ca 0.14 -0.99 0.02 0.00 -0.22 0.00 0.00 54.13 53.08 1mal s LEU 129 Cb 0.05 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 1mal s LEU 129 CO -0.05 -0.22 0.00 -0.70 -1.32 0.00 0.00 176.35 174.06 1mal s GLU 130 N 1.37 2.72 -1.18 1.98 2.12 0.24 -1.49 118.70 124.47 1mal s GLU 130 Ca -0.01 -0.67 -0.06 0.00 0.36 0.00 0.00 54.97 54.58 1mal s GLU 130 Cb -0.18 -2.63 -0.02 0.00 0.26 0.00 0.00 34.13 31.55 1mal s GLU 130 CO -0.00 0.60 0.83 0.09 -0.54 0.00 0.00 175.26 176.24 1mal n ASN 131 N 1.17 -3.82 -4.72 -1.70 3.02 -1.25 -1.06 115.26 106.89 1mal n ASN 131 Ca -0.13 -0.80 -0.41 0.00 -0.03 0.00 0.00 54.58 53.20 1mal n ASN 131 Cb 0.52 -4.41 -0.04 0.00 -0.61 0.00 0.00 39.78 35.25 1mal n ASN 131 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1mal s ILE 132 N -3.50 4.77 -0.42 2.41 1.01 -0.33 -3.85 121.20 121.30 1mal s ILE 132 Ca 0.24 1.90 -0.27 0.00 0.00 0.00 0.00 60.65 62.52 1mal s ILE 132 Cb -0.06 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 38.19 1mal s ILE 132 CO 0.79 0.25 1.02 -0.62 0.00 0.00 0.00 174.94 176.38 1mal s ASP 133 N 0.52 6.67 -0.24 3.58 -1.08 -1.26 -0.53 116.67 124.32 1mal s ASP 133 Ca 0.46 0.52 0.14 0.00 -0.52 0.00 0.00 52.55 53.15 1mal s ASP 133 Cb -0.21 -2.50 0.81 0.00 -1.46 0.00 0.00 42.92 39.56 1mal s ASP 133 CO 0.26 -1.04 1.75 0.52 0.52 0.00 0.00 175.17 177.19 1mal n VAL 134 N 6.36 2.79 0.00 1.11 0.31 0.18 -4.97 118.33 124.11 1mal n VAL 134 Ca 0.09 -1.44 0.00 0.00 -0.01 0.00 0.00 64.34 62.98 1mal n VAL 134 Cb 0.48 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 1mal n VAL 134 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mal n GLY 135 N 0.53 2.21 0.15 2.92 0.00 -1.26 -4.32 105.19 105.42 1mal n GLY 135 Ca 0.29 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.27 1mal n GLY 135 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1mal h PHE 136 N 0.00 0.00 -2.37 1.61 -0.00 -1.96 -3.47 116.94 110.74 1mal h PHE 136 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 57.97 58.15 1mal h PHE 136 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 35.92 1mal h PHE 136 CO 0.00 0.00 0.59 0.41 -0.00 0.00 0.00 178.31 179.31 1mal n GLY 137 N 0.96 0.58 3.55 6.09 0.00 -1.26 -4.32 105.19 110.79 1mal n GLY 137 Ca 0.04 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 1mal n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mal s LYS 138 N -2.04 3.81 -0.20 1.61 1.02 -0.62 -0.64 119.74 122.67 1mal s LYS 138 Ca 0.22 -0.43 -0.07 0.00 0.02 0.00 0.00 55.97 55.71 1mal s LYS 138 Cb -0.02 -3.12 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 1mal s LYS 138 CO 0.04 0.19 0.05 -1.17 -0.92 0.00 0.00 175.35 173.53 1mal s LEU 139 N 0.57 3.58 0.04 3.17 2.96 0.31 -0.26 118.68 129.04 1mal s LEU 139 Ca 0.01 -0.06 0.07 0.00 -0.22 0.00 0.00 54.13 53.93 1mal s LEU 139 Cb -0.13 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 1mal s LEU 139 CO 0.02 0.10 -0.20 -0.44 -1.32 0.00 0.00 176.35 174.51 1mal s SER 140 N 0.79 2.33 0.00 3.68 0.01 -0.55 -1.18 113.70 118.78 1mal s SER 140 Ca 0.03 -0.50 0.06 0.00 1.31 0.00 0.00 55.95 56.84 1mal s SER 140 Cb -0.14 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 65.88 1mal s SER 140 CO 0.02 0.14 -0.19 -0.76 0.41 0.00 0.00 173.24 172.87 1mal s LEU 141 N -1.13 2.07 0.03 2.44 1.43 -0.56 -2.07 118.68 120.89 1mal s LEU 141 Ca 0.07 -0.38 -0.26 0.00 -1.03 0.00 0.00 54.13 52.53 1mal s LEU 141 Cb -0.09 -0.95 0.06 0.00 0.03 0.00 0.00 46.19 45.25 1mal s LEU 141 CO 0.02 0.21 0.59 0.00 0.23 0.00 0.00 176.35 177.39 1mal s ALA 142 N -0.54 -1.54 -0.11 4.21 0.00 -0.92 -1.43 121.76 121.44 1mal s ALA 142 Ca 0.07 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1mal s ALA 142 Cb -0.08 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.38 1mal s ALA 142 CO -0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 175.76 175.17 1mal s ALA 143 N -2.16 1.42 0.33 0.00 0.00 -0.57 -0.62 121.76 120.16 1mal s ALA 143 Ca -0.07 -0.59 0.06 0.00 0.00 0.00 0.00 51.96 51.36 1mal s ALA 143 Cb -0.01 -0.87 -0.06 0.00 0.00 0.00 0.00 23.12 22.18 1mal s ALA 143 CO 0.01 -0.30 -0.02 0.95 0.00 0.00 0.00 175.76 176.40 1mal s THR 144 N 1.46 1.67 0.15 0.00 -4.23 -0.92 -1.88 115.64 111.89 1mal s THR 144 Ca 0.01 -2.08 0.07 0.00 -1.18 0.00 0.00 61.69 58.51 1mal s THR 144 Cb -0.13 -2.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 1mal s THR 144 CO -0.06 -0.15 -0.15 -0.60 -0.54 0.00 0.00 174.62 173.12 1mal s ARG 145 N -3.75 1.15 0.25 3.99 3.52 -0.82 -1.78 118.95 121.51 1mal s ARG 145 Ca 0.33 -1.38 -0.09 0.00 -0.13 0.00 0.00 55.73 54.46 1mal s ARG 145 Cb 0.06 -1.02 -0.01 0.00 -1.56 0.00 0.00 34.95 32.42 1mal s ARG 145 CO 0.15 0.19 0.40 -1.54 -0.81 0.00 0.00 175.30 173.69 1mal s SER 146 N -2.77 0.06 -0.29 -2.12 1.04 -1.06 -4.23 113.70 104.34 1mal s SER 146 Ca 0.14 -1.09 -0.14 0.00 0.48 0.00 0.00 55.95 55.35 1mal s SER 146 Cb -0.03 0.55 0.11 0.00 0.10 0.00 0.00 66.02 66.75 1mal s SER 146 CO 0.04 -1.09 0.72 -0.94 0.98 0.00 0.00 173.24 172.95 1mal s SER 147 N -3.07 -0.96 0.37 7.02 1.04 -1.26 -1.44 113.70 115.39 1mal s SER 147 Ca 0.27 1.44 -0.21 0.00 0.48 0.00 0.00 55.95 57.93 1mal s SER 147 Cb 0.01 1.73 -0.10 0.00 0.10 0.00 0.00 66.02 67.76 1mal s SER 147 CO 0.11 -0.21 0.89 -1.83 0.98 0.00 0.00 173.24 173.17 1mal s GLU 148 N 2.13 4.26 0.29 4.02 -1.05 0.30 -4.91 118.70 123.75 1mal s GLU 148 Ca -0.08 1.05 0.03 0.00 -0.15 0.00 0.00 54.97 55.82 1mal s GLU 148 Cb -0.08 -2.41 0.75 0.00 -0.44 0.00 0.00 34.13 31.95 1mal s GLU 148 CO -0.19 0.11 1.64 0.00 0.95 0.00 0.00 175.26 177.76 1mal h ALA 149 N 2.36 1.33 -3.00 -0.84 0.00 -1.91 -1.77 119.26 115.43 1mal h ALA 149 Ca -0.48 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1mal h ALA 149 Cb 1.18 0.33 0.01 0.00 0.00 0.00 0.00 17.79 19.32 1mal h ALA 149 CO 0.63 -0.50 0.28 0.20 0.00 0.00 0.00 179.25 179.86 1mal s GLY 150 N -4.00 0.43 0.00 0.00 0.00 -1.25 -3.30 107.32 99.20 1mal s GLY 150 Ca -0.12 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.79 1mal s GLY 150 CO 0.77 -0.34 0.00 0.61 0.00 0.00 0.00 173.10 174.14 1mal n GLY 151 N -0.54 -0.29 3.60 0.20 0.00 0.22 -4.48 105.19 103.90 1mal n GLY 151 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 1mal n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mal s SER 152 N 0.00 4.35 0.01 1.61 0.01 -0.95 -4.42 113.70 114.30 1mal s SER 152 Ca 0.00 -0.63 0.04 0.00 1.31 0.00 0.00 55.95 56.67 1mal s SER 152 Cb 0.00 -0.75 -0.01 0.00 0.21 0.00 0.00 66.02 65.46 1mal s SER 152 CO 0.00 0.06 -0.11 -0.55 0.41 0.00 0.00 173.24 173.05 1mal s SER 153 N -3.21 1.33 0.57 2.44 0.15 -0.29 -2.06 113.70 112.64 1mal s SER 153 Ca 0.28 -0.27 0.36 0.00 0.70 0.00 0.00 55.95 57.02 1mal s SER 153 Cb -0.08 -0.12 1.64 0.00 -1.71 0.00 0.00 66.02 65.75 1mal s SER 153 CO 0.17 0.09 2.08 0.77 1.20 0.00 0.00 173.24 177.55 1mal h SER 154 N 5.59 0.00 -5.16 5.45 4.64 -1.89 -1.76 113.55 120.42 1mal h SER 154 Ca -0.33 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.93 1mal h SER 154 Cb 1.18 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.15 1mal h SER 154 CO 0.48 0.00 -0.13 0.72 -0.87 0.00 0.00 176.83 177.02 1mal s PHE 155 N -3.78 0.10 0.14 4.77 -0.12 -1.26 -4.75 117.98 113.07 1mal s PHE 155 Ca -0.00 -0.45 -0.30 0.00 -0.05 0.00 0.00 56.93 56.12 1mal s PHE 155 Cb 0.10 0.19 -0.07 0.00 -0.63 0.00 0.00 43.02 42.60 1mal s PHE 155 CO 0.50 -0.81 1.16 0.00 -0.05 0.00 0.00 175.22 176.02 1mal s ALA 156 N -3.91 3.39 0.09 1.99 0.00 -1.26 -4.84 121.76 117.23 1mal s ALA 156 Ca 0.12 0.86 -0.11 0.00 0.00 0.00 0.00 51.96 52.83 1mal s ALA 156 Cb 0.01 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.74 1mal s ALA 156 CO -0.03 -0.33 0.25 -1.54 0.00 0.00 0.00 175.76 174.12 1mal s SER 157 N 0.34 0.01 -0.00 0.00 1.04 -1.26 -5.02 113.70 108.80 1mal s SER 157 Ca 0.53 -0.52 0.21 0.00 0.48 0.00 0.00 55.95 56.66 1mal s SER 157 Cb -0.30 0.37 -0.20 0.00 0.10 0.00 0.00 66.02 65.99 1mal s SER 157 CO 0.34 -0.75 0.86 0.59 0.98 0.00 0.00 173.24 175.26 1mal n ASN 158 N -0.03 0.78 -4.67 7.02 3.02 -1.26 -4.91 115.26 115.21 1mal n ASN 158 Ca -0.16 -0.75 -0.43 0.00 -0.03 0.00 0.00 54.58 53.22 1mal n ASN 158 Cb 0.62 1.12 -0.02 0.00 -0.61 0.00 0.00 39.78 40.89 1mal n ASN 158 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1mal s ASN 159 N -3.31 7.14 0.20 6.41 3.04 -1.26 -4.91 114.94 122.24 1mal s ASN 159 Ca 0.05 1.41 -0.11 0.00 0.04 0.00 0.00 52.86 54.26 1mal s ASN 159 Cb 0.16 -2.54 0.14 0.00 -1.54 0.00 0.00 41.25 37.47 1mal s ASN 159 CO 0.86 -0.57 1.85 -0.29 -3.04 0.00 0.00 177.10 175.92 1mal h ILE 160 N 5.30 1.20 0.00 -5.21 2.10 -1.94 -2.21 117.51 116.75 1mal h ILE 160 Ca -0.24 -0.43 0.00 0.00 1.08 0.00 0.00 64.86 65.26 1mal h ILE 160 Cb 1.10 0.19 0.00 0.00 -1.09 0.00 0.00 36.82 37.02 1mal h ILE 160 CO 0.92 0.21 0.04 -1.22 -1.08 0.00 0.00 178.15 177.02 1mal n TYR 161 N -4.54 0.00 0.69 2.19 4.02 -1.26 -0.36 117.16 117.90 1mal n TYR 161 Ca 0.06 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.07 1mal n TYR 161 Cb 0.05 -0.19 0.17 0.00 -0.02 0.00 0.00 39.34 39.35 1mal n TYR 161 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1mal n ASP 162 N -1.14 0.62 -3.75 7.72 8.00 -0.83 -4.54 116.55 122.63 1mal n ASP 162 Ca 0.00 -0.04 -0.42 0.00 0.71 0.00 0.00 54.79 55.05 1mal n ASP 162 Cb 0.04 0.30 0.01 0.00 -0.02 0.00 0.00 41.12 41.44 1mal n ASP 162 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1mal n TYR 163 N -1.91 2.66 -0.44 1.24 4.02 0.52 -4.57 117.16 118.67 1mal n TYR 163 Ca 0.04 -2.72 0.07 0.00 -0.01 0.00 0.00 57.90 55.27 1mal n TYR 163 Cb 0.41 -1.68 0.19 0.00 -0.02 0.00 0.00 39.34 38.24 1mal n TYR 163 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1mal n THR 164 N 2.04 1.43 -3.09 -0.72 -2.24 -1.09 -1.95 114.28 108.65 1mal n THR 164 Ca 0.44 -1.29 -0.39 0.00 -2.27 0.00 0.00 64.05 60.54 1mal n THR 164 Cb 0.31 0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.74 1mal n THR 164 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1mal s ASN 165 N -1.30 7.06 0.13 3.42 0.01 -0.87 -4.51 114.94 118.88 1mal s ASN 165 Ca 0.29 1.27 -0.35 0.00 -0.71 0.00 0.00 52.86 53.37 1mal s ASN 165 Cb 0.19 -2.41 -0.15 0.00 0.41 0.00 0.00 41.25 39.30 1mal s ASN 165 CO 0.13 0.03 1.53 1.21 -1.51 0.00 0.00 177.10 178.49 1mal n GLU 166 N 2.96 1.89 -4.07 -0.60 2.13 -1.21 -0.61 120.64 121.14 1mal n GLU 166 Ca -0.04 0.68 -0.32 0.00 0.66 0.00 0.00 57.16 58.14 1mal n GLU 166 Cb 0.51 -2.42 -0.16 0.00 0.27 0.00 0.00 31.44 29.64 1mal n GLU 166 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1mal s THR 167 N 0.90 1.91 0.23 6.31 -1.32 -0.66 -4.78 115.64 118.23 1mal s THR 167 Ca 0.81 -1.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.01 1mal s THR 167 Cb -0.75 -1.83 -0.09 0.00 -1.51 0.00 0.00 72.50 68.33 1mal s THR 167 CO 0.41 0.38 0.89 0.00 -2.21 0.00 0.00 174.62 174.08 1mal s ALA 168 N 1.32 3.35 0.05 11.08 0.00 -1.26 -0.54 121.76 135.77 1mal s ALA 168 Ca 0.02 0.52 0.09 0.00 0.00 0.00 0.00 51.96 52.59 1mal s ALA 168 Cb -0.15 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 1mal s ALA 168 CO -0.11 0.23 -0.26 -0.80 0.00 0.00 0.00 175.76 174.83 1mal s ASN 169 N -1.26 3.25 0.12 0.00 -0.87 -0.52 -0.37 114.94 115.29 1mal s ASN 169 Ca 0.41 -0.59 0.08 0.00 -1.57 0.00 0.00 52.86 51.19 1mal s ASN 169 Cb -0.24 -0.31 -0.04 0.00 -0.02 0.00 0.00 41.25 40.64 1mal s ASN 169 CO 0.29 0.25 -0.15 -1.81 -2.57 0.00 0.00 177.10 173.11 1mal s ASP 170 N -1.35 4.08 -0.01 -1.22 1.01 -0.74 -2.56 116.67 115.87 1mal s ASP 170 Ca 0.12 -0.52 0.03 0.00 0.71 0.00 0.00 52.55 52.89 1mal s ASP 170 Cb -0.10 -0.65 -0.01 0.00 1.01 0.00 0.00 42.92 43.18 1mal s ASP 170 CO 0.03 0.17 -0.09 -0.69 0.21 0.00 0.00 175.17 174.80 1mal s VAL 171 N -1.25 0.71 -0.15 -1.27 1.01 -0.73 -2.27 120.40 116.46 1mal s VAL 171 Ca 0.20 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1mal s VAL 171 Cb -0.10 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.69 1mal s VAL 171 CO 0.12 0.21 -0.18 -0.36 0.00 0.00 0.00 175.10 174.88 1mal s PHE 172 N -0.15 2.48 0.01 5.22 0.08 -0.85 -2.17 117.98 122.60 1mal s PHE 172 Ca 0.02 -1.37 0.08 0.00 0.12 0.00 0.00 56.93 55.78 1mal s PHE 172 Cb -0.04 -1.74 -0.02 0.00 -0.57 0.00 0.00 43.02 40.64 1mal s PHE 172 CO -0.00 -0.68 -0.24 0.34 -0.10 0.00 0.00 175.22 174.53 1mal s ASP 173 N 1.20 2.82 -0.03 1.36 -1.08 0.21 -1.63 116.67 119.53 1mal s ASP 173 Ca 0.01 -0.49 -0.00 0.00 -0.52 0.00 0.00 52.55 51.55 1mal s ASP 173 Cb -0.14 -0.28 0.03 0.00 -1.46 0.00 0.00 42.92 41.07 1mal s ASP 173 CO -0.08 0.26 0.04 -0.69 0.52 0.00 0.00 175.17 175.22 1mal s VAL 174 N -0.66 -0.06 0.06 1.11 1.01 -0.75 -2.17 120.40 118.95 1mal s VAL 174 Ca 0.09 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.31 1mal s VAL 174 Cb -0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.16 1mal s VAL 174 CO 0.00 0.09 -0.07 -0.13 0.00 0.00 0.00 175.10 174.99 1mal s ARG 175 N 1.09 0.65 -0.10 2.72 0.52 -0.88 -0.82 118.95 122.13 1mal s ARG 175 Ca -0.09 -1.01 -0.03 0.00 -0.52 0.00 0.00 55.73 54.09 1mal s ARG 175 Cb -0.13 -0.24 0.04 0.00 0.52 0.00 0.00 34.95 35.14 1mal s ARG 175 CO -0.03 0.02 0.05 -1.17 0.02 0.00 0.00 175.30 174.18 1mal s LEU 176 N -2.22 0.40 0.00 2.53 0.20 -0.21 -1.48 118.68 117.90 1mal s LEU 176 Ca -0.01 -0.23 0.02 0.00 0.69 0.00 0.00 54.13 54.61 1mal s LEU 176 Cb -0.03 -0.28 -0.01 0.00 -0.43 0.00 0.00 46.19 45.44 1mal s LEU 176 CO -0.02 -0.27 0.07 0.00 -0.29 0.00 0.00 176.35 175.84 1mal n ALA 177 N 5.23 0.22 -3.38 5.97 0.00 0.64 -1.31 120.51 127.88 1mal n ALA 177 Ca -0.06 -0.70 -0.24 0.00 0.00 0.00 0.00 53.44 52.45 1mal n ALA 177 Cb 0.49 0.51 0.00 0.00 0.00 0.00 0.00 19.45 20.45 1mal n ALA 177 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1mal n GLN 178 N -0.28 -3.75 -3.11 0.00 6.02 -1.25 -1.59 117.38 113.43 1mal n GLN 178 Ca -0.00 0.54 -0.41 0.00 -0.01 0.00 0.00 57.00 57.12 1mal n GLN 178 Cb 0.21 -5.28 -0.06 0.00 1.02 0.00 0.00 30.24 26.12 1mal n GLN 178 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1mal s MET 179 N -6.04 4.12 -1.21 -1.09 -1.94 -1.18 -4.62 119.30 107.34 1mal s MET 179 Ca 0.42 0.56 -0.17 0.00 -1.71 0.00 0.00 55.69 54.78 1mal s MET 179 Cb -0.22 -3.64 0.11 0.00 2.01 0.00 0.00 34.83 33.09 1mal s MET 179 CO 0.51 -0.40 1.55 -1.21 -0.01 0.00 0.00 175.02 175.47 1mal s GLU 180 N 2.45 3.95 0.51 2.03 8.01 -1.26 -0.18 118.70 134.22 1mal s GLU 180 Ca 0.26 -2.10 0.28 0.00 0.01 0.00 0.00 54.97 53.43 1mal s GLU 180 Cb -0.16 -5.30 1.38 0.00 -4.31 0.00 0.00 34.13 25.75 1mal s GLU 180 CO 0.09 -2.04 2.03 0.82 0.01 0.00 0.00 175.26 176.16 1mal h ILE 181 N 5.40 0.50 -3.40 -1.63 1.08 -1.88 -3.46 117.51 114.11 1mal h ILE 181 Ca 0.35 -0.63 -0.16 0.00 -0.39 0.00 0.00 64.86 64.03 1mal h ILE 181 Cb 0.90 1.43 -0.03 0.00 -3.07 0.00 0.00 36.82 36.04 1mal h ILE 181 CO 1.35 0.13 0.01 -0.46 -0.69 0.00 0.00 178.15 178.49 1mal n ASN 182 N -3.52 -1.49 -4.62 1.72 2.04 -1.23 -5.03 115.26 103.13 1mal n ASN 182 Ca -0.01 -2.54 -0.43 0.00 -0.44 0.00 0.00 54.58 51.16 1mal n ASN 182 Cb 0.27 2.62 -0.02 0.00 -2.53 0.00 0.00 39.78 40.12 1mal n ASN 182 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 1mal s PRO 183 N -2.45 3.77 0.00 -0.53 0.04 -1.26 -2.81 135.00 131.75 1mal s PRO 183 Ca 0.21 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1mal s PRO 183 Cb -0.02 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1mal s PRO 183 CO 0.15 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.29 1mal n GLY 184 N 4.65 2.09 3.84 0.56 0.00 -1.26 -4.94 105.19 110.13 1mal n GLY 184 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1mal n GLY 184 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mal s GLY 185 N -2.05 1.97 0.11 -0.02 0.00 -1.12 -2.11 107.32 104.08 1mal s GLY 185 Ca 0.00 -1.01 0.03 0.00 0.00 0.00 0.00 44.72 43.74 1mal s GLY 185 CO 0.00 -1.00 -0.09 -1.59 0.00 0.00 0.00 173.10 170.42 1mal s THR 186 N -1.53 0.91 -0.05 0.90 2.01 -0.37 -3.53 115.64 113.98 1mal s THR 186 Ca 0.32 -1.80 0.01 0.00 0.31 0.00 0.00 61.69 60.53 1mal s THR 186 Cb -0.12 -1.53 0.02 0.00 0.01 0.00 0.00 72.50 70.88 1mal s THR 186 CO 0.25 -0.68 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.23 1mal s LEU 187 N -2.75 1.28 0.00 4.42 2.96 0.75 -1.81 118.68 123.53 1mal s LEU 187 Ca 0.09 -0.13 0.08 0.00 -0.22 0.00 0.00 54.13 53.95 1mal s LEU 187 Cb 0.00 -0.46 -0.02 0.00 0.50 0.00 0.00 46.19 46.21 1mal s LEU 187 CO -0.01 -0.06 -0.24 -0.70 -1.32 0.00 0.00 176.35 174.01 1mal s GLU 188 N 1.00 2.06 -0.02 1.98 2.12 -0.80 -3.08 118.70 121.97 1mal s GLU 188 Ca -0.10 -0.96 0.02 0.00 0.36 0.00 0.00 54.97 54.29 1mal s GLU 188 Cb -0.14 -2.07 0.01 0.00 0.26 0.00 0.00 34.13 32.18 1mal s GLU 188 CO -0.00 0.55 -0.07 -0.51 -0.54 0.00 0.00 175.26 174.69 1mal s LEU 189 N -0.87 1.72 0.01 2.70 1.02 -0.43 -1.65 118.68 121.18 1mal s LEU 189 Ca 0.11 -0.14 -0.07 0.00 0.02 0.00 0.00 54.13 54.04 1mal s LEU 189 Cb -0.10 -0.44 0.00 0.00 0.02 0.00 0.00 46.19 45.67 1mal s LEU 189 CO 0.01 0.03 0.14 -0.83 0.02 0.00 0.00 176.35 175.72 1mal s GLY 190 N 0.30 0.05 -0.07 -3.19 0.00 -0.59 -1.05 107.32 102.78 1mal s GLY 190 Ca -0.04 -0.17 0.02 0.00 0.00 0.00 0.00 44.72 44.53 1mal s GLY 190 CO 0.00 -0.31 -0.11 0.14 0.00 0.00 0.00 173.10 172.82 1mal s VAL 191 N -1.54 1.03 -0.08 1.40 1.01 -0.00 -1.85 120.40 120.36 1mal s VAL 191 Ca -0.14 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.48 1mal s VAL 191 Cb -0.07 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 1mal s VAL 191 CO 0.01 0.33 -0.23 -1.81 0.00 0.00 0.00 175.10 173.40 1mal s ASP 192 N 0.79 3.22 -0.19 3.32 1.01 -0.41 -1.81 116.67 122.60 1mal s ASP 192 Ca -0.13 -0.50 0.00 0.00 0.71 0.00 0.00 52.55 52.64 1mal s ASP 192 Cb -0.15 -1.14 0.05 0.00 1.01 0.00 0.00 42.92 42.68 1mal s ASP 192 CO 0.02 0.21 -0.06 -0.47 0.21 0.00 0.00 175.17 175.08 1mal s TYR 193 N 0.06 2.02 0.08 4.23 5.04 -0.64 -1.47 117.35 126.67 1mal s TYR 193 Ca -0.10 -1.36 0.08 0.00 -2.44 0.00 0.00 57.07 53.25 1mal s TYR 193 Cb -0.15 -1.45 -0.04 0.00 0.35 0.00 0.00 41.96 40.67 1mal s TYR 193 CO 0.06 -0.69 -0.17 0.20 -1.34 0.00 0.00 175.55 173.61 1mal s GLY 194 N 1.53 1.65 0.01 8.97 0.00 -1.14 -2.01 107.32 116.33 1mal s GLY 194 Ca -0.01 -1.26 -0.15 0.00 0.00 0.00 0.00 44.72 43.30 1mal s GLY 194 CO -0.08 -1.20 0.32 1.09 0.00 0.00 0.00 173.10 173.24 1mal s ARG 195 N -1.82 0.74 -0.05 2.90 1.70 -0.96 -1.97 118.95 119.50 1mal s ARG 195 Ca 0.17 -0.30 -0.27 0.00 -0.47 0.00 0.00 55.73 54.86 1mal s ARG 195 Cb -0.11 0.33 -0.03 0.00 -0.57 0.00 0.00 34.95 34.57 1mal s ARG 195 CO 0.08 -0.22 0.85 0.00 -1.08 0.00 0.00 175.30 174.93 1mal s ALA 196 N -1.82 3.28 -0.43 7.88 0.00 -0.33 -1.79 121.76 128.54 1mal s ALA 196 Ca -0.10 0.32 -0.11 0.00 0.00 0.00 0.00 51.96 52.07 1mal s ALA 196 Cb -0.03 -3.17 0.08 0.00 0.00 0.00 0.00 23.12 19.99 1mal s ALA 196 CO 0.01 -0.23 0.30 1.21 0.00 0.00 0.00 175.76 177.05 1mal s ASN 197 N 0.94 5.77 0.26 0.00 3.84 0.50 -4.97 114.94 121.27 1mal s ASN 197 Ca 0.45 -1.48 -0.22 0.00 0.21 0.00 0.00 52.86 51.82 1mal s ASN 197 Cb -0.19 -2.04 -0.09 0.00 -0.55 0.00 0.00 41.25 38.38 1mal s ASN 197 CO 0.22 -0.57 0.80 -0.76 -2.79 0.00 0.00 177.10 173.99 1mal s LEU 198 N 1.48 4.34 0.72 3.21 1.43 -1.26 -4.31 118.68 124.28 1mal s LEU 198 Ca 0.03 1.55 -0.14 0.00 -1.03 0.00 0.00 54.13 54.54 1mal s LEU 198 Cb -0.23 -3.73 0.04 0.00 0.03 0.00 0.00 46.19 42.29 1mal s LEU 198 CO 0.03 -0.00 1.16 -0.60 0.23 0.00 0.00 176.35 177.17 1mal s ARG 199 N -2.01 2.29 -0.03 1.70 3.52 -1.26 -4.83 118.95 118.32 1mal s ARG 199 Ca 0.45 1.57 -0.34 0.00 -0.13 0.00 0.00 55.73 57.29 1mal s ARG 199 Cb -0.17 -1.87 -0.12 0.00 -1.56 0.00 0.00 34.95 31.23 1mal s ARG 199 CO 0.22 -1.68 1.84 -3.47 -0.81 0.00 0.00 175.30 171.39 1mal n ASP 200 N -2.79 3.46 0.00 -2.12 2.03 -1.26 -1.61 116.55 114.27 1mal n ASP 200 Ca 0.12 0.99 0.00 0.00 0.52 0.00 0.00 54.79 56.41 1mal n ASP 200 Cb 0.51 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 1mal n ASP 200 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1mal n ASN 201 N 6.15 0.00 -4.76 1.67 3.02 -1.26 -5.05 115.26 115.03 1mal n ASN 201 Ca 0.21 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.45 1mal n ASN 201 Cb 0.30 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.57 1mal n ASN 201 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1mal s TYR 202 N -1.93 2.49 0.13 3.10 1.51 -0.63 -4.74 117.35 117.27 1mal s TYR 202 Ca 0.00 1.58 0.04 0.00 -1.01 0.00 0.00 57.07 57.68 1mal s TYR 202 Cb 0.00 -3.09 -0.04 0.00 -0.11 0.00 0.00 41.96 38.71 1mal s TYR 202 CO 0.00 -1.88 -0.10 1.03 -1.11 0.00 0.00 175.55 173.49 1mal s ARG 203 N -4.77 0.98 0.38 -0.62 0.52 -0.66 -4.82 118.95 109.96 1mal s ARG 203 Ca 0.63 -1.35 0.08 0.00 -0.52 0.00 0.00 55.73 54.57 1mal s ARG 203 Cb -0.18 -0.58 -0.03 0.00 0.52 0.00 0.00 34.95 34.68 1mal s ARG 203 CO 0.54 0.07 0.28 -0.51 0.02 0.00 0.00 175.30 175.71 1mal s LEU 204 N -2.91 3.37 1.00 2.53 1.43 -1.26 -1.14 118.68 121.70 1mal s LEU 204 Ca 0.13 -0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 52.35 1mal s LEU 204 Cb 0.01 -1.93 0.16 0.00 0.03 0.00 0.00 46.19 44.46 1mal s LEU 204 CO 0.00 -0.51 0.89 0.52 0.23 0.00 0.00 176.35 177.49 1mal n VAL 205 N -1.39 0.00 -2.67 -1.59 0.31 -1.26 -4.95 118.33 106.79 1mal n VAL 205 Ca 0.00 -0.16 -0.40 0.00 -0.01 0.00 0.00 64.34 63.77 1mal n VAL 205 Cb 0.62 -0.90 -0.05 0.00 -0.91 0.00 0.00 33.84 32.60 1mal n VAL 205 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1mal s ASP 206 N -2.41 7.50 0.00 4.52 1.01 -1.26 -3.30 116.67 122.74 1mal s ASP 206 Ca 0.65 1.99 0.00 0.00 0.71 0.00 0.00 52.55 55.90 1mal s ASP 206 Cb -0.22 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.10 1mal s ASP 206 CO 0.62 0.01 0.00 0.61 0.21 0.00 0.00 175.17 176.62 1mal n GLY 207 N 1.66 1.53 3.65 0.21 0.00 -1.26 -5.00 105.19 105.98 1mal n GLY 207 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1mal n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mal n ALA 208 N -1.03 0.60 -0.37 4.61 0.00 -1.21 -4.88 120.51 118.24 1mal n ALA 208 Ca 0.00 0.43 -0.02 0.00 0.00 0.00 0.00 53.44 53.85 1mal n ALA 208 Cb 0.00 -2.21 0.11 0.00 0.00 0.00 0.00 19.45 17.35 1mal n ALA 208 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1mal h SER 209 N 4.11 1.14 0.00 0.00 4.64 -1.88 -3.47 113.55 118.09 1mal h SER 209 Ca -0.45 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1mal h SER 209 Cb 1.29 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1mal h SER 209 CO 0.75 0.82 0.00 0.29 -0.87 0.00 0.00 176.83 177.82 1mal n LYS 210 N -4.39 0.00 -0.98 4.77 5.02 -0.75 -4.83 118.16 117.00 1mal n LYS 210 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1mal n LYS 210 Cb 0.01 -0.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.98 1mal n LYS 210 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1mal n ASP 211 N 1.42 0.00 0.00 4.39 5.68 -1.26 -1.18 116.55 125.60 1mal n ASP 211 Ca 0.00 -0.55 0.00 0.00 -0.50 0.00 0.00 54.79 53.74 1mal n ASP 211 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1mal n ASP 211 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mal n GLY 212 N 0.00 -0.72 3.11 6.12 0.00 -0.83 -1.21 105.19 111.67 1mal n GLY 212 Ca 0.00 -1.13 -0.16 0.00 0.00 0.00 0.00 46.02 44.73 1mal n GLY 212 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1mal s TRP 213 N -2.00 0.96 -0.06 1.61 0.52 -1.19 -2.89 118.94 115.89 1mal s TRP 213 Ca 0.00 -0.45 0.02 0.00 0.02 0.00 0.00 56.10 55.69 1mal s TRP 213 Cb 0.00 -0.56 0.02 0.00 -1.15 0.00 0.00 33.47 31.78 1mal s TRP 213 CO 0.00 -0.01 -0.10 -1.17 0.02 0.00 0.00 176.95 175.69 1mal s LEU 214 N -1.53 1.56 -0.10 2.99 2.96 -0.54 -1.01 118.68 123.01 1mal s LEU 214 Ca -0.05 -0.26 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 1mal s LEU 214 Cb -0.09 -0.74 0.01 0.00 0.50 0.00 0.00 46.19 45.86 1mal s LEU 214 CO 0.01 0.01 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.50 1mal s PHE 215 N 0.75 2.14 0.05 5.38 0.08 0.28 -1.28 117.98 125.38 1mal s PHE 215 Ca -0.13 -0.91 0.08 0.00 0.12 0.00 0.00 56.93 56.09 1mal s PHE 215 Cb -0.15 -1.48 -0.03 0.00 -0.57 0.00 0.00 43.02 40.79 1mal s PHE 215 CO 0.03 -0.41 -0.22 0.99 -0.10 0.00 0.00 175.22 175.51 1mal s THR 216 N 0.61 1.74 -0.15 0.64 2.01 -0.77 -1.39 115.64 118.33 1mal s THR 216 Ca -0.14 -1.27 -0.06 0.00 0.31 0.00 0.00 61.69 60.53 1mal s THR 216 Cb -0.17 -1.52 0.07 0.00 0.01 0.00 0.00 72.50 70.89 1mal s THR 216 CO 0.04 0.19 0.31 0.00 -0.69 0.00 0.00 174.62 174.48 1mal s ALA 217 N -0.85 -0.75 -0.07 7.40 0.00 -0.96 -1.54 121.76 125.00 1mal s ALA 217 Ca 0.08 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.19 1mal s ALA 217 Cb -0.09 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 21.95 1mal s ALA 217 CO 0.02 -0.64 -0.12 -2.00 0.00 0.00 0.00 175.76 173.02 1mal s GLU 218 N 2.39 1.70 -0.19 0.00 2.12 -0.66 -2.22 118.70 121.85 1mal s GLU 218 Ca -0.00 -0.41 -0.03 0.00 0.36 0.00 0.00 54.97 54.89 1mal s GLU 218 Cb -0.12 -1.43 -0.01 0.00 0.26 0.00 0.00 34.13 32.83 1mal s GLU 218 CO -0.10 0.00 -0.06 -1.58 -0.54 0.00 0.00 175.26 172.99 1mal s HIS 219 N 0.74 2.94 -0.29 5.30 5.65 -0.54 -1.90 115.29 127.20 1mal s HIS 219 Ca -0.13 -0.75 -0.06 0.00 0.25 0.00 0.00 55.06 54.37 1mal s HIS 219 Cb -0.16 -2.03 0.01 0.00 -1.18 0.00 0.00 32.58 29.23 1mal s HIS 219 CO 0.03 -0.38 0.06 0.99 -0.65 0.00 0.00 174.74 174.79 1mal s THR 220 N 1.05 3.83 -0.12 0.89 2.01 -0.75 -1.84 115.64 120.71 1mal s THR 220 Ca 0.01 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.30 1mal s THR 220 Cb -0.15 -2.97 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 1mal s THR 220 CO -0.00 0.10 -0.17 -1.58 -0.69 0.00 0.00 174.62 172.28 1mal s GLN 221 N 1.48 3.26 0.16 4.92 2.00 -0.68 -1.24 119.66 129.56 1mal s GLN 221 Ca 0.02 -0.76 -0.30 0.00 -2.00 0.00 0.00 55.36 52.33 1mal s GLN 221 Cb -0.17 -2.51 -0.07 0.00 0.80 0.00 0.00 33.01 31.05 1mal s GLN 221 CO 0.02 0.20 1.12 0.45 -0.50 0.00 0.00 175.29 176.58 1mal s SER 222 N 0.36 7.22 0.15 6.67 0.15 -0.90 -1.78 113.70 125.57 1mal s SER 222 Ca -0.14 2.10 -0.20 0.00 0.70 0.00 0.00 55.95 58.41 1mal s SER 222 Cb -0.17 -2.60 0.05 0.00 -1.71 0.00 0.00 66.02 61.59 1mal s SER 222 CO 0.07 -0.27 0.51 -0.69 1.20 0.00 0.00 173.24 174.06 1mal s VAL 223 N -0.05 0.03 -0.35 4.45 1.01 -1.06 -4.94 120.40 119.49 1mal s VAL 223 Ca 0.51 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 62.18 1mal s VAL 223 Cb -0.30 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 34.96 1mal s VAL 223 CO 0.34 -0.14 0.00 0.18 0.00 0.00 0.00 175.10 175.49 1mal n LEU 224 N -0.31 -0.21 -2.26 3.92 4.77 -1.26 0.28 117.00 121.92 1mal n LEU 224 Ca -0.16 -0.29 -0.18 0.00 -0.03 0.00 0.00 56.01 55.35 1mal n LEU 224 Cb 0.64 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 1mal n LEU 224 CO 0.15 0.11 -0.22 0.29 -1.33 0.00 0.00 177.39 176.38 1mal n LYS 225 N -1.81 -1.77 0.00 3.23 5.02 -1.26 -1.25 118.16 120.31 1mal n LYS 225 Ca -0.07 0.92 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 1mal n LYS 225 Cb 0.16 -5.52 0.00 0.00 -0.02 0.00 0.00 35.03 29.65 1mal n LYS 225 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mal n GLY 226 N -0.85 4.86 3.85 0.72 0.00 0.78 -4.64 105.19 109.92 1mal n GLY 226 Ca -0.21 -0.63 -0.07 0.00 0.00 0.00 0.00 46.02 45.11 1mal n GLY 226 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mal s PHE 227 N 1.05 -0.12 -0.19 1.61 -0.71 -0.29 -2.58 117.98 116.76 1mal s PHE 227 Ca 0.00 -0.39 -0.07 0.00 -1.04 0.00 0.00 56.93 55.43 1mal s PHE 227 Cb 0.00 0.74 0.08 0.00 -1.21 0.00 0.00 43.02 42.63 1mal s PHE 227 CO 0.00 -1.30 0.40 1.21 -1.34 0.00 0.00 175.22 174.19 1mal s ASN 228 N -2.96 -0.23 -0.03 1.98 3.84 -0.73 -1.84 114.94 114.96 1mal s ASN 228 Ca 0.12 0.94 -0.01 0.00 0.21 0.00 0.00 52.86 54.12 1mal s ASN 228 Cb -0.06 1.20 -0.04 0.00 -0.55 0.00 0.00 41.25 41.80 1mal s ASN 228 CO 0.08 -0.23 0.06 -0.54 -2.79 0.00 0.00 177.10 173.68 1mal s LYS 229 N 2.41 3.05 -0.10 0.43 1.02 0.22 -1.69 119.74 125.09 1mal s LYS 229 Ca -0.03 -0.45 -0.01 0.00 0.02 0.00 0.00 55.97 55.51 1mal s LYS 229 Cb -0.11 -2.86 0.03 0.00 -0.52 0.00 0.00 37.83 34.37 1mal s LYS 229 CO -0.12 0.67 -0.04 0.12 -0.92 0.00 0.00 175.35 175.06 1mal s PHE 230 N -1.10 1.12 0.19 3.18 5.36 -0.77 -1.57 117.98 124.40 1mal s PHE 230 Ca 0.20 -0.50 0.11 0.00 -0.96 0.00 0.00 56.93 55.77 1mal s PHE 230 Cb -0.12 -1.04 -0.04 0.00 -0.34 0.00 0.00 43.02 41.48 1mal s PHE 230 CO 0.10 -0.44 -0.22 0.08 -1.46 0.00 0.00 175.22 173.28 1mal s VAL 231 N 1.83 2.47 -0.08 3.12 1.01 0.16 -1.47 120.40 127.45 1mal s VAL 231 Ca 0.05 -1.98 -0.03 0.00 0.00 0.00 0.00 61.98 60.02 1mal s VAL 231 Cb -0.13 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.11 1mal s VAL 231 CO -0.07 -0.12 0.16 -0.69 0.00 0.00 0.00 175.10 174.38 1mal s VAL 232 N -1.68 -0.17 0.08 2.92 1.01 -0.94 -1.25 120.40 120.36 1mal s VAL 232 Ca 0.21 0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.51 1mal s VAL 232 Cb -0.08 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 1mal s VAL 232 CO 0.11 0.12 -0.10 -1.10 0.00 0.00 0.00 175.10 174.12 1mal s GLN 233 N 1.82 0.76 -0.08 2.72 -0.21 -0.65 -2.25 119.66 121.76 1mal s GLN 233 Ca -0.02 -1.04 -0.04 0.00 0.02 0.00 0.00 55.36 54.29 1mal s GLN 233 Cb -0.12 -0.48 0.04 0.00 1.00 0.00 0.00 33.01 33.45 1mal s GLN 233 CO -0.06 0.08 0.18 -0.47 -2.12 0.00 0.00 175.29 172.90 1mal s TYR 234 N -2.09 -0.23 0.09 0.91 5.04 -0.49 -1.24 117.35 119.34 1mal s TYR 234 Ca 0.01 0.62 0.05 0.00 -2.44 0.00 0.00 57.07 55.31 1mal s TYR 234 Cb -0.05 -0.08 -0.03 0.00 0.35 0.00 0.00 41.96 42.15 1mal s TYR 234 CO 0.00 -0.22 -0.13 0.00 -1.34 0.00 0.00 175.55 173.86 1mal s ALA 235 N 1.50 1.22 -0.02 3.97 0.00 -0.38 -0.56 121.76 127.49 1mal s ALA 235 Ca -0.06 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 50.84 1mal s ALA 235 Cb -0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 1mal s ALA 235 CO -0.07 0.10 -0.12 0.95 0.00 0.00 0.00 175.76 176.62 1mal s THR 236 N -1.71 1.01 0.00 0.00 -4.23 -0.18 -0.73 115.64 109.80 1mal s THR 236 Ca 0.02 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 1mal s THR 236 Cb -0.07 -0.87 0.00 0.00 1.34 0.00 0.00 72.50 72.90 1mal s THR 236 CO 0.02 0.30 0.00 0.47 -0.54 0.00 0.00 174.62 174.87 1mal n ASP 237 N 3.04 0.00 0.10 3.99 8.00 -0.68 -2.58 116.55 128.42 1mal n ASP 237 Ca -0.16 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.39 1mal n ASP 237 Cb 0.54 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.93 1mal n ASP 237 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1mal n SER 238 N 6.32 0.27 -0.03 -2.24 3.41 -0.35 0.57 113.62 121.58 1mal n SER 238 Ca 0.00 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.30 1mal n SER 238 Cb 0.00 -0.57 0.26 0.00 -0.26 0.00 0.00 64.21 63.64 1mal n SER 238 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1mal n MET 239 N -1.86 0.10 0.09 4.33 2.81 -1.07 -2.06 117.12 119.47 1mal n MET 239 Ca -0.01 -0.06 -0.08 0.00 -1.81 0.00 0.00 57.70 55.75 1mal n MET 239 Cb 0.13 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.13 1mal n MET 239 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1mal h THR 240 N 0.15 1.53 0.33 2.03 1.35 -0.06 -2.48 112.91 115.76 1mal h THR 240 Ca 0.00 -2.72 -0.02 0.00 -0.55 0.00 0.00 66.41 63.13 1mal h THR 240 Cb 0.50 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 1mal h THR 240 CO 0.00 0.79 -0.16 0.77 -0.25 0.00 0.00 175.52 176.67 1mal h SER 241 N 0.07 -0.37 -0.00 5.36 4.64 -1.74 -3.33 113.55 118.18 1mal h SER 241 Ca -0.04 -0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1mal h SER 241 Cb 1.52 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1mal h SER 241 CO 0.13 0.00 -0.00 -0.61 -0.87 0.00 0.00 176.83 175.48 1mal h GLN 242 N -0.80 0.00 -3.47 4.77 4.15 -1.81 -3.48 115.11 114.47 1mal h GLN 242 Ca -0.05 -0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.13 1mal h GLN 242 Cb 0.52 0.00 0.06 0.00 0.21 0.00 0.00 27.48 28.27 1mal h GLN 242 CO 0.07 0.74 -0.39 0.41 -1.93 0.00 0.00 178.83 177.73 1mal n GLY 243 N 0.89 0.00 0.00 2.39 0.00 -0.93 -4.84 105.19 102.70 1mal n GLY 243 Ca -0.09 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1mal n GLY 243 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mal n LYS 244 N -3.01 0.09 0.00 1.61 5.02 -1.26 -4.84 118.16 115.77 1mal n LYS 244 Ca -0.03 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1mal n LYS 244 Cb 0.55 -0.25 0.00 0.00 -0.02 0.00 0.00 35.03 35.31 1mal n LYS 244 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mal n GLY 245 N 0.02 0.77 3.82 0.72 0.00 -1.26 -1.06 105.19 108.19 1mal n GLY 245 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1mal n GLY 245 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mal s LEU 246 N 0.00 4.01 -0.11 0.99 1.43 -1.26 -4.86 118.68 118.88 1mal s LEU 246 Ca 0.00 0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 53.19 1mal s LEU 246 Cb 0.00 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1mal s LEU 246 CO 0.00 0.22 0.09 -0.55 0.23 0.00 0.00 176.35 176.34 1mal s SER 247 N -2.11 5.99 -0.53 2.29 0.15 -1.26 -4.55 113.70 113.68 1mal s SER 247 Ca 0.28 0.36 0.07 0.00 0.70 0.00 0.00 55.95 57.35 1mal s SER 247 Cb -0.12 -1.86 0.25 0.00 -1.71 0.00 0.00 66.02 62.57 1mal s SER 247 CO 0.20 0.40 0.63 0.00 1.20 0.00 0.00 173.24 175.67 1mal n GLN 248 N 2.01 1.66 0.00 5.44 6.02 -0.87 -4.77 117.38 126.87 1mal n GLN 248 Ca -0.19 -3.99 0.00 0.00 -0.01 0.00 0.00 57.00 52.80 1mal n GLN 248 Cb 0.54 -1.78 0.00 0.00 1.02 0.00 0.00 30.24 30.02 1mal n GLN 248 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mal n GLY 249 N 1.17 -0.83 0.08 1.08 0.00 -1.26 -3.81 105.19 101.62 1mal n GLY 249 Ca 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 1mal n GLY 249 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mal n SER 250 N -0.50 0.47 0.00 1.61 3.41 -1.26 -1.80 113.62 115.55 1mal n SER 250 Ca 0.00 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1mal n SER 250 Cb 0.00 0.58 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1mal n SER 250 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mal n GLY 251 N 1.55 1.10 3.87 5.00 0.00 -1.25 -4.69 105.19 110.77 1mal n GLY 251 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1mal n GLY 251 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mal s VAL 252 N -2.97 5.45 0.01 1.61 1.01 -1.26 0.17 120.40 124.42 1mal s VAL 252 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1mal s VAL 252 Cb 0.00 -3.44 -0.00 0.00 0.00 0.00 0.00 36.38 32.94 1mal s VAL 252 CO 0.00 0.61 0.00 0.00 0.00 0.00 0.00 175.10 175.71 1mal n ALA 253 N 2.01 0.02 -3.52 5.51 0.00 -0.08 -4.83 120.51 119.61 1mal n ALA 253 Ca -0.19 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.06 1mal n ALA 253 Cb 0.55 0.04 -0.11 0.00 0.00 0.00 0.00 19.45 19.92 1mal n ALA 253 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1mal s PHE 254 N -1.30 -0.43 0.82 0.00 0.08 -1.26 -2.05 117.98 113.83 1mal s PHE 254 Ca 0.00 0.99 -0.12 0.00 0.12 0.00 0.00 56.93 57.93 1mal s PHE 254 Cb 0.00 0.15 0.08 0.00 -0.57 0.00 0.00 43.02 42.68 1mal s PHE 254 CO 0.00 -0.25 1.11 0.16 -0.10 0.00 0.00 175.22 176.14 1mal s ASP 255 N 0.88 4.29 0.57 1.36 1.47 0.01 -4.88 116.67 120.36 1mal s ASP 255 Ca -0.06 1.22 0.38 0.00 1.18 0.00 0.00 52.55 55.27 1mal s ASP 255 Cb -0.07 -1.92 2.01 0.00 -0.34 0.00 0.00 42.92 42.61 1mal s ASP 255 CO -0.06 -2.09 2.16 0.78 0.68 0.00 0.00 175.17 176.64 1mal h ASN 256 N -1.17 0.00 -0.37 2.11 -0.26 -1.95 0.84 115.58 114.77 1mal h ASN 256 Ca -0.48 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.26 1mal h ASN 256 Cb 1.28 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.54 1mal h ASN 256 CO 0.60 0.00 0.00 -0.62 -1.06 0.00 0.00 177.43 176.35 1mal n GLU 257 N -2.86 2.72 -1.62 0.81 1.02 -1.26 -4.91 120.64 114.54 1mal n GLU 257 Ca -0.02 -1.70 -0.17 0.00 -0.02 0.00 0.00 57.16 55.25 1mal n GLU 257 Cb 0.09 -1.69 -0.06 0.00 -0.02 0.00 0.00 31.44 29.76 1mal n GLU 257 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1mal n LYS 258 N 0.53 -1.20 -3.27 3.49 4.76 0.29 -5.00 118.16 117.76 1mal n LYS 258 Ca 0.15 1.05 -0.36 0.00 -2.87 0.00 0.00 58.31 56.29 1mal n LYS 258 Cb 0.61 -5.30 -0.06 0.00 -1.84 0.00 0.00 35.03 28.44 1mal n LYS 258 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1mal s PHE 259 N -2.66 3.62 0.04 2.13 0.40 -1.26 -4.82 117.98 115.43 1mal s PHE 259 Ca 0.00 1.18 -0.19 0.00 -0.60 0.00 0.00 56.93 57.32 1mal s PHE 259 Cb 0.00 -2.46 -0.06 0.00 0.51 0.00 0.00 43.02 41.01 1mal s PHE 259 CO 0.00 0.39 0.54 0.00 0.70 0.00 0.00 175.22 176.85 1mal s ALA 260 N -1.49 3.59 0.44 5.36 0.00 -1.26 -0.81 121.76 127.58 1mal s ALA 260 Ca 0.40 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.37 1mal s ALA 260 Cb -0.15 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 1mal s ALA 260 CO 0.20 0.36 0.03 1.52 0.00 0.00 0.00 175.76 177.86 1mal s TYR 261 N -0.87 2.07 -0.38 0.00 1.13 -0.87 -4.79 117.35 113.64 1mal s TYR 261 Ca 0.28 -0.91 -0.05 0.00 -1.41 0.00 0.00 57.07 54.97 1mal s TYR 261 Cb -0.19 -1.56 0.08 0.00 -1.10 0.00 0.00 41.96 39.20 1mal s TYR 261 CO 0.17 0.19 0.17 1.21 -2.51 0.00 0.00 175.55 174.79 1mal s ASN 262 N -3.74 5.32 -0.79 -0.18 3.84 -1.26 -0.90 114.94 117.23 1mal s ASN 262 Ca 0.21 -1.58 -0.01 0.00 0.21 0.00 0.00 52.86 51.69 1mal s ASN 262 Cb 0.05 -1.87 0.37 0.00 -0.55 0.00 0.00 41.25 39.25 1mal s ASN 262 CO 0.11 -0.46 1.94 2.30 -2.79 0.00 0.00 177.10 178.20 1mal n ILE 263 N 4.74 3.48 -1.66 -5.21 -5.35 0.44 -4.98 119.36 110.83 1mal n ILE 263 Ca -0.08 -4.22 -0.45 0.00 -0.27 0.00 0.00 62.75 57.73 1mal n ILE 263 Cb 0.43 -1.23 -0.03 0.00 -1.74 0.00 0.00 39.64 37.06 1mal n ILE 263 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1mal n ASN 264 N -0.58 2.60 -0.44 7.28 2.85 -1.11 -4.69 115.26 121.17 1mal n ASN 264 Ca 0.53 1.14 0.09 0.00 -0.11 0.00 0.00 54.58 56.23 1mal n ASN 264 Cb 0.32 -1.40 0.19 0.00 1.24 0.00 0.00 39.78 40.13 1mal n ASN 264 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1mal n ASN 265 N 2.21 2.98 -4.76 1.20 2.04 -1.26 -4.81 115.26 112.86 1mal n ASN 265 Ca 0.12 -3.09 -0.41 0.00 -0.44 0.00 0.00 54.58 50.76 1mal n ASN 265 Cb 0.30 -0.48 -0.01 0.00 -2.53 0.00 0.00 39.78 37.06 1mal n ASN 265 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 1mal s ASN 266 N -2.49 6.41 0.00 0.53 0.01 -1.26 -4.22 114.94 113.91 1mal s ASN 266 Ca 0.37 2.94 0.00 0.00 -0.71 0.00 0.00 52.86 55.46 1mal s ASN 266 Cb 0.31 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 39.33 1mal s ASN 266 CO 0.05 -0.87 0.00 0.61 -1.51 0.00 0.00 177.10 175.38 1mal n GLY 267 N 1.66 0.03 3.67 0.66 0.00 -1.26 -1.44 105.19 108.51 1mal n GLY 267 Ca 0.06 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 1mal n GLY 267 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1mal s HIS 268 N -3.92 -0.21 -0.01 1.61 -3.43 -0.34 -1.69 115.29 107.30 1mal s HIS 268 Ca 0.00 -0.16 -0.02 0.00 -0.80 0.00 0.00 55.06 54.08 1mal s HIS 268 Cb 0.00 0.57 -0.00 0.00 -1.43 0.00 0.00 32.58 31.72 1mal s HIS 268 CO 0.00 -1.07 0.04 1.41 -2.00 0.00 0.00 174.74 173.13 1mal s MET 269 N -3.88 0.18 -0.06 -0.38 0.00 0.10 -1.39 119.30 113.86 1mal s MET 269 Ca 0.09 -0.15 0.02 0.00 0.00 0.00 0.00 55.69 55.65 1mal s MET 269 Cb -0.03 0.07 0.02 0.00 0.00 0.00 0.00 34.83 34.88 1mal s MET 269 CO 0.01 -0.03 -0.08 -1.17 0.00 0.00 0.00 175.02 173.74 1mal s LEU 270 N -0.51 1.47 -0.06 4.11 2.96 -0.63 -1.24 118.68 124.78 1mal s LEU 270 Ca -0.06 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 1mal s LEU 270 Cb -0.04 -0.65 0.00 0.00 0.50 0.00 0.00 46.19 46.00 1mal s LEU 270 CO -0.00 -0.02 -0.18 -0.60 -1.32 0.00 0.00 176.35 174.24 1mal s ARG 271 N 0.84 2.01 -0.13 1.98 3.52 -0.38 -1.64 118.95 125.16 1mal s ARG 271 Ca -0.12 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 54.85 1mal s ARG 271 Cb -0.15 -1.68 0.02 0.00 -1.56 0.00 0.00 34.95 31.59 1mal s ARG 271 CO 0.01 0.20 -0.11 0.42 -0.81 0.00 0.00 175.30 175.02 1mal s ILE 272 N 0.19 1.27 0.02 4.11 1.09 -0.31 -1.64 121.20 125.93 1mal s ILE 272 Ca -0.08 -0.45 0.04 0.00 -1.10 0.00 0.00 60.65 59.06 1mal s ILE 272 Cb -0.13 -1.23 -0.02 0.00 -1.06 0.00 0.00 42.46 40.02 1mal s ILE 272 CO 0.04 0.41 -0.12 -0.22 -0.10 0.00 0.00 174.94 174.94 1mal s LEU 273 N 1.56 2.11 -0.19 2.97 0.20 -0.38 -1.30 118.68 123.65 1mal s LEU 273 Ca 0.04 -0.34 -0.07 0.00 0.69 0.00 0.00 54.13 54.44 1mal s LEU 273 Cb -0.13 -0.54 0.08 0.00 -0.43 0.00 0.00 46.19 45.17 1mal s LEU 273 CO -0.09 0.06 0.40 -0.62 -0.29 0.00 0.00 176.35 175.82 1mal s ASP 274 N -0.77 -0.25 0.13 3.68 2.15 -0.79 0.38 116.67 121.21 1mal s ASP 274 Ca 0.02 0.94 -0.07 0.00 0.43 0.00 0.00 52.55 53.86 1mal s ASP 274 Cb -0.06 1.19 -0.01 0.00 -0.30 0.00 0.00 42.92 43.74 1mal s ASP 274 CO 0.00 -0.23 0.21 -1.38 -0.17 0.00 0.00 175.17 173.61 1mal s HIS 275 N 2.38 0.38 -0.08 -5.34 -3.43 -0.61 -1.09 115.29 107.51 1mal s HIS 275 Ca -0.03 -0.78 0.00 0.00 -0.80 0.00 0.00 55.06 53.45 1mal s HIS 275 Cb -0.11 -0.13 0.00 0.00 -1.43 0.00 0.00 32.58 30.91 1mal s HIS 275 CO -0.12 -0.62 0.00 0.41 -2.00 0.00 0.00 174.74 172.40 1mal n GLY 276 N -0.14 -1.15 2.85 -1.38 0.00 -0.65 -0.61 105.19 104.12 1mal n GLY 276 Ca -0.10 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.82 1mal n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mal s ALA 277 N -1.73 -0.09 0.05 4.61 0.00 -0.77 -1.31 121.76 122.52 1mal s ALA 277 Ca 0.00 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.48 1mal s ALA 277 Cb 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1mal s ALA 277 CO 0.00 -0.14 -0.08 0.96 0.00 0.00 0.00 175.76 176.50 1mal s ILE 278 N 1.15 0.61 -0.12 0.00 -4.36 -0.59 -1.14 121.20 116.75 1mal s ILE 278 Ca -0.09 -1.15 -0.01 0.00 -0.26 0.00 0.00 60.65 59.14 1mal s ILE 278 Cb -0.12 -0.71 -0.03 0.00 1.25 0.00 0.00 42.46 42.85 1mal s ILE 278 CO -0.05 -0.39 -0.07 -0.44 0.24 0.00 0.00 174.94 174.23 1mal s SER 279 N -1.67 4.55 -0.74 4.36 0.01 -0.38 -1.06 113.70 118.77 1mal s SER 279 Ca -0.08 -0.14 0.03 0.00 1.31 0.00 0.00 55.95 57.07 1mal s SER 279 Cb -0.09 -1.53 0.18 0.00 0.21 0.00 0.00 66.02 64.79 1mal s SER 279 CO 0.00 0.23 0.55 -0.04 0.41 0.00 0.00 173.24 174.39 1mal s MET 280 N -0.04 2.63 0.24 12.44 -1.94 -0.83 -4.63 119.30 127.17 1mal s MET 280 Ca -0.00 -3.29 0.00 0.00 -1.71 0.00 0.00 55.69 50.69 1mal s MET 280 Cb -0.13 -3.55 0.00 0.00 2.01 0.00 0.00 34.83 33.16 1mal s MET 280 CO 0.03 -1.27 0.00 0.41 -0.01 0.00 0.00 175.02 174.18 1mal n GLY 281 N 2.13 -1.83 0.06 -0.03 0.00 -1.26 -4.27 105.19 99.99 1mal n GLY 281 Ca 0.19 -1.92 0.02 0.00 0.00 0.00 0.00 46.02 44.31 1mal n GLY 281 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mal n ASP 282 N 0.00 0.20 -0.98 1.61 8.00 -1.26 -4.51 116.55 119.61 1mal n ASP 282 Ca 0.00 0.09 0.12 0.00 0.71 0.00 0.00 54.79 55.70 1mal n ASP 282 Cb 0.00 1.24 0.12 0.00 -0.02 0.00 0.00 41.12 42.46 1mal n ASP 282 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1mal n ASN 283 N -2.57 3.05 -4.02 -2.24 3.02 -1.26 -4.90 115.26 106.35 1mal n ASN 283 Ca -0.15 -1.99 -0.17 0.00 -0.03 0.00 0.00 54.58 52.25 1mal n ASN 283 Cb 0.82 -0.04 -0.14 0.00 -0.61 0.00 0.00 39.78 39.81 1mal n ASN 283 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1mal s TRP 284 N -1.89 0.68 0.02 3.10 0.52 -1.26 -0.80 118.94 119.31 1mal s TRP 284 Ca 0.29 -0.21 0.00 0.00 0.02 0.00 0.00 56.10 56.20 1mal s TRP 284 Cb 0.20 -0.43 -0.01 0.00 -1.15 0.00 0.00 33.47 32.08 1mal s TRP 284 CO 0.30 -0.02 -0.03 -0.51 0.02 0.00 0.00 176.95 176.71 1mal s ASP 285 N -0.53 0.23 -0.21 2.95 1.11 -0.44 -1.97 116.67 117.81 1mal s ASP 285 Ca 0.00 -0.37 -0.15 0.00 0.18 0.00 0.00 52.55 52.21 1mal s ASP 285 Cb -0.05 0.07 0.06 0.00 1.07 0.00 0.00 42.92 44.07 1mal s ASP 285 CO 0.00 -0.21 0.53 -0.32 1.18 0.00 0.00 175.17 176.35 1mal s MET 286 N -1.07 0.57 0.13 8.23 -2.45 -0.22 0.10 119.30 124.60 1mal s MET 286 Ca -0.11 0.88 0.04 0.00 -1.25 0.00 0.00 55.69 55.25 1mal s MET 286 Cb -0.07 0.15 -0.04 0.00 1.25 0.00 0.00 34.83 36.12 1mal s MET 286 CO -0.01 -0.12 0.13 -1.64 1.05 0.00 0.00 175.02 174.43 1mal s MET 287 N 1.00 2.95 -0.02 4.11 -1.94 0.84 -1.54 119.30 124.70 1mal s MET 287 Ca -0.06 -0.78 -0.21 0.00 -1.71 0.00 0.00 55.69 52.93 1mal s MET 287 Cb -0.06 -2.71 0.04 0.00 2.01 0.00 0.00 34.83 34.12 1mal s MET 287 CO -0.09 0.52 0.46 1.52 -0.01 0.00 0.00 175.02 177.42 1mal s TYR 288 N -1.63 -0.37 -0.04 -0.03 -0.85 -0.43 -0.40 117.35 113.61 1mal s TYR 288 Ca 0.31 0.58 -0.07 0.00 -0.52 0.00 0.00 57.07 57.37 1mal s TYR 288 Cb -0.11 0.23 0.01 0.00 0.38 0.00 0.00 41.96 42.47 1mal s TYR 288 CO 0.23 -0.49 0.17 0.54 -1.52 0.00 0.00 175.55 174.48 1mal s VAL 289 N -1.42 0.03 -0.04 -3.49 0.11 -0.96 -1.63 120.40 113.00 1mal s VAL 289 Ca -0.12 -0.28 -0.01 0.00 -2.93 0.00 0.00 61.98 58.64 1mal s VAL 289 Cb -0.03 -0.34 0.03 0.00 -1.53 0.00 0.00 36.38 34.51 1mal s VAL 289 CO 0.06 -0.16 0.07 -0.83 -3.33 0.00 0.00 175.10 170.91 1mal s GLY 290 N -0.53 0.06 -0.02 6.54 0.00 -0.25 -2.22 107.32 110.89 1mal s GLY 290 Ca -0.06 0.43 -0.14 0.00 0.00 0.00 0.00 44.72 44.94 1mal s GLY 290 CO 0.01 0.84 0.31 -0.29 0.00 0.00 0.00 173.10 173.97 1mal s MET 291 N 1.17 0.64 -0.06 2.90 1.75 -0.20 -1.88 119.30 123.62 1mal s MET 291 Ca -0.08 -0.14 -0.01 0.00 -1.25 0.00 0.00 55.69 54.20 1mal s MET 291 Cb -0.12 0.29 0.03 0.00 2.84 0.00 0.00 34.83 37.86 1mal s MET 291 CO -0.04 -0.17 0.02 -0.47 -0.65 0.00 0.00 175.02 173.71 1mal s TYR 292 N -1.20 0.47 -0.09 4.11 5.04 -0.42 -1.58 117.35 123.68 1mal s TYR 292 Ca -0.12 -0.03 0.01 0.00 -2.44 0.00 0.00 57.07 54.49 1mal s TYR 292 Cb -0.05 -0.68 0.02 0.00 0.35 0.00 0.00 41.96 41.60 1mal s TYR 292 CO 0.04 -0.28 -0.09 -1.14 -1.34 0.00 0.00 175.55 172.74 1mal s GLN 293 N 1.98 1.52 -0.20 4.97 0.74 0.08 -1.16 119.66 127.60 1mal s GLN 293 Ca 0.04 -0.30 0.01 0.00 0.05 0.00 0.00 55.36 55.16 1mal s GLN 293 Cb -0.12 -1.43 0.04 0.00 1.10 0.00 0.00 33.01 32.60 1mal s GLN 293 CO -0.04 -0.13 -0.11 0.34 -0.55 0.00 0.00 175.29 174.80 1mal s ASP 294 N 1.20 3.44 -0.27 6.67 2.15 -0.65 -0.09 116.67 129.11 1mal s ASP 294 Ca -0.05 -0.90 -0.06 0.00 0.43 0.00 0.00 52.55 51.97 1mal s ASP 294 Cb -0.14 -1.28 0.00 0.00 -0.30 0.00 0.00 42.92 41.20 1mal s ASP 294 CO -0.02 -0.14 0.05 -0.63 -0.17 0.00 0.00 175.17 174.26 1mal s ILE 295 N 1.37 3.88 -0.24 4.11 1.01 -0.56 -1.61 121.20 129.16 1mal s ILE 295 Ca -0.01 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1mal s ILE 295 Cb -0.16 -2.94 0.05 0.00 0.01 0.00 0.00 42.46 39.42 1mal s ILE 295 CO -0.08 0.18 -0.13 0.21 0.00 0.00 0.00 174.94 175.12 1mal s ASN 296 N 1.51 4.12 0.26 3.58 3.04 -0.49 -1.76 114.94 125.19 1mal s ASN 296 Ca 0.04 -1.17 0.09 0.00 0.04 0.00 0.00 52.86 51.85 1mal s ASN 296 Cb -0.16 -1.54 -0.04 0.00 -1.54 0.00 0.00 41.25 37.96 1mal s ASN 296 CO 0.01 -0.14 0.04 0.26 -3.04 0.00 0.00 177.10 174.24 1mal s TRP 297 N 1.17 2.80 0.52 0.43 0.51 -1.26 -1.20 118.94 121.90 1mal s TRP 297 Ca -0.05 -0.19 0.29 0.00 -2.12 0.00 0.00 56.10 54.03 1mal s TRP 297 Cb -0.18 -1.24 1.69 0.00 -0.81 0.00 0.00 33.47 32.92 1mal s TRP 297 CO -0.07 0.60 2.18 -0.44 -0.51 0.00 0.00 176.95 178.71 1mal h ASP 298 N 1.80 0.00 -0.43 2.95 3.32 -1.60 -1.52 116.42 120.94 1mal h ASP 298 Ca -0.45 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 1mal h ASP 298 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1mal h ASP 298 CO 0.60 0.05 0.02 -0.46 -1.72 0.00 0.00 179.24 177.73 1mal n ASN 299 N -3.75 4.39 -0.07 6.45 0.23 -1.26 -4.92 115.26 116.33 1mal n ASN 299 Ca -0.03 -2.69 -0.01 0.00 -0.53 0.00 0.00 54.58 51.33 1mal n ASN 299 Cb 0.14 -0.64 -0.00 0.00 -2.08 0.00 0.00 39.78 37.20 1mal n ASN 299 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1mal n ASP 300 N 0.41 -5.84 -1.59 0.53 9.92 -0.57 -4.83 116.55 114.58 1mal n ASP 300 Ca 0.21 0.02 0.08 0.00 -0.53 0.00 0.00 54.79 54.57 1mal n ASP 300 Cb 0.95 -3.49 0.36 0.00 -0.64 0.00 0.00 41.12 38.31 1mal n ASP 300 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1mal n ASN 301 N -0.92 5.13 -3.40 -2.24 5.15 -1.26 -0.13 115.26 117.59 1mal n ASN 301 Ca -0.01 -2.88 0.00 0.00 -0.60 0.00 0.00 54.58 51.09 1mal n ASN 301 Cb 0.50 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 39.11 1mal n ASN 301 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mal n GLY 302 N 0.40 -2.29 3.35 8.20 0.00 -1.26 -4.74 105.19 108.85 1mal n GLY 302 Ca 0.26 -1.39 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 1mal n GLY 302 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mal s THR 303 N -0.15 0.05 -0.21 2.61 -4.23 -0.72 -1.53 115.64 111.45 1mal s THR 303 Ca 0.00 -0.39 0.01 0.00 -1.18 0.00 0.00 61.69 60.13 1mal s THR 303 Cb 0.00 -1.03 0.05 0.00 1.34 0.00 0.00 72.50 72.86 1mal s THR 303 CO 0.00 -0.21 -0.07 -0.75 -0.54 0.00 0.00 174.62 173.05 1mal s LYS 304 N -3.01 1.72 -0.00 3.99 2.20 -0.81 -1.50 119.74 122.32 1mal s LYS 304 Ca -0.02 -0.86 0.04 0.00 -0.36 0.00 0.00 55.97 54.77 1mal s LYS 304 Cb 0.00 -2.44 -0.03 0.00 -1.51 0.00 0.00 37.83 33.85 1mal s LYS 304 CO -0.06 -0.52 -0.11 -0.46 -0.36 0.00 0.00 175.35 173.84 1mal s TRP 305 N 1.44 2.78 -0.04 4.03 -0.00 0.87 -1.66 118.94 126.36 1mal s TRP 305 Ca -0.03 -0.11 0.01 0.00 -0.00 0.00 0.00 56.10 55.97 1mal s TRP 305 Cb -0.17 -1.59 0.02 0.00 -0.00 0.00 0.00 33.47 31.73 1mal s TRP 305 CO -0.07 0.31 -0.05 -1.58 -0.00 0.00 0.00 176.95 175.56 1mal s TRP 306 N -0.92 0.73 0.02 5.86 0.52 -0.84 -0.74 118.94 123.58 1mal s TRP 306 Ca 0.15 -0.19 -0.02 0.00 0.02 0.00 0.00 56.10 56.06 1mal s TRP 306 Cb -0.11 -0.64 -0.02 0.00 -1.15 0.00 0.00 33.47 31.56 1mal s TRP 306 CO 0.05 -0.17 0.01 0.95 0.02 0.00 0.00 176.95 177.81 1mal s THR 307 N 0.83 0.12 -0.14 2.01 -4.23 -0.62 -2.21 115.64 111.41 1mal s THR 307 Ca -0.11 -1.01 -0.28 0.00 -1.18 0.00 0.00 61.69 59.11 1mal s THR 307 Cb -0.14 -0.51 0.07 0.00 1.34 0.00 0.00 72.50 73.26 1mal s THR 307 CO 0.00 -0.55 0.69 0.68 -0.54 0.00 0.00 174.62 174.90 1mal s VAL 308 N -1.87 0.00 0.01 2.29 -7.23 -1.06 -1.03 120.40 111.50 1mal s VAL 308 Ca -0.12 -0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.76 1mal s VAL 308 Cb -0.06 -0.99 0.10 0.00 0.56 0.00 0.00 36.38 35.98 1mal s VAL 308 CO -0.02 -0.00 1.13 -0.83 -0.31 0.00 0.00 175.10 175.07 1mal s GLY 309 N -0.57 -0.35 -0.01 2.32 0.00 -0.94 -0.66 107.32 107.12 1mal s GLY 309 Ca -0.07 0.70 -0.11 0.00 0.00 0.00 0.00 44.72 45.24 1mal s GLY 309 CO 0.06 0.17 0.22 -0.26 0.00 0.00 0.00 173.10 173.29 1mal s ILE 310 N -2.77 0.07 -0.40 0.90 -4.36 -0.59 -2.27 121.20 111.77 1mal s ILE 310 Ca 0.12 -0.59 0.01 0.00 -0.26 0.00 0.00 60.65 59.93 1mal s ILE 310 Cb 0.01 -0.51 0.13 0.00 1.25 0.00 0.00 42.46 43.34 1mal s ILE 310 CO -0.03 -0.32 0.21 -0.60 0.24 0.00 0.00 174.94 174.44 1mal s ARG 311 N -1.34 1.08 -0.08 0.37 3.52 0.47 -1.64 118.95 121.32 1mal s ARG 311 Ca -0.14 -1.75 -0.14 0.00 -0.13 0.00 0.00 55.73 53.57 1mal s ARG 311 Cb -0.06 -2.13 -0.05 0.00 -1.56 0.00 0.00 34.95 31.15 1mal s ARG 311 CO 0.03 -1.14 0.36 -1.25 -0.81 0.00 0.00 175.30 172.49 1mal s PRO 312 N 0.68 4.05 -0.07 5.12 0.04 -1.06 -0.11 135.00 143.64 1mal s PRO 312 Ca 0.16 0.26 0.05 0.00 0.04 0.00 0.00 61.00 61.51 1mal s PRO 312 Cb -0.23 -3.32 -0.01 0.00 0.04 0.00 0.00 34.50 30.98 1mal s PRO 312 CO -0.04 0.46 -0.22 1.41 0.04 0.00 0.00 177.00 178.65 1mal s MET 313 N -0.28 2.73 -0.14 4.56 1.75 0.28 -2.55 119.30 125.65 1mal s MET 313 Ca 0.21 -0.85 0.02 0.00 -1.25 0.00 0.00 55.69 53.82 1mal s MET 313 Cb -0.15 -2.27 0.00 0.00 2.84 0.00 0.00 34.83 35.26 1mal s MET 313 CO 0.09 0.36 -0.19 -0.47 -0.65 0.00 0.00 175.02 174.15 1mal s TYR 314 N -0.09 2.70 -0.49 4.11 5.04 -0.54 -1.32 117.35 126.76 1mal s TYR 314 Ca -0.05 -1.13 -0.16 0.00 -2.44 0.00 0.00 57.07 53.30 1mal s TYR 314 Cb -0.14 -1.83 0.09 0.00 0.35 0.00 0.00 41.96 40.43 1mal s TYR 314 CO 0.04 -0.50 0.42 -1.59 -1.34 0.00 0.00 175.55 172.58 1mal s LYS 315 N 0.70 2.98 0.35 4.97 -2.85 0.02 -2.03 119.74 123.87 1mal s LYS 315 Ca -0.09 -1.43 0.07 0.00 -1.00 0.00 0.00 55.97 53.52 1mal s LYS 315 Cb -0.16 -4.17 0.65 0.00 -2.06 0.00 0.00 37.83 32.09 1mal s LYS 315 CO 0.01 -1.09 1.86 -1.49 0.10 0.00 0.00 175.35 174.74 1mal h TRP 316 N 8.78 0.38 -3.98 1.78 4.06 -1.70 -3.46 115.95 121.81 1mal h TRP 316 Ca -0.29 -0.05 -0.12 0.00 2.06 0.00 0.00 58.89 60.49 1mal h TRP 316 Cb 1.11 -0.11 -0.11 0.00 -1.00 0.00 0.00 29.16 29.05 1mal h TRP 316 CO 0.66 0.49 -0.31 0.99 -3.56 0.00 0.00 178.44 176.71 1mal s THR 317 N -4.72 0.01 -1.99 1.49 2.01 -1.01 -4.96 115.64 106.46 1mal s THR 317 Ca -0.06 -1.59 0.19 0.00 0.31 0.00 0.00 61.69 60.54 1mal s THR 317 Cb 0.15 -2.24 0.54 0.00 0.01 0.00 0.00 72.50 70.96 1mal s THR 317 CO 0.75 -0.05 1.52 -0.81 -0.69 0.00 0.00 174.62 175.35 1mal n PRO 318 N -0.32 0.59 0.00 4.92 -0.04 -1.26 -3.15 135.00 135.74 1mal n PRO 318 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1mal n PRO 318 Cb 0.63 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1mal n PRO 318 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1mal n ILE 319 N -1.00 0.13 -4.41 0.52 -5.35 -1.26 -3.93 119.36 104.05 1mal n ILE 319 Ca 0.14 -0.14 -0.21 0.00 -0.27 0.00 0.00 62.75 62.27 1mal n ILE 319 Cb 0.07 1.01 -0.16 0.00 -1.74 0.00 0.00 39.64 38.82 1mal n ILE 319 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 1mal s MET 320 N -0.13 1.14 0.31 6.28 1.75 -1.19 -3.01 119.30 124.45 1mal s MET 320 Ca 0.00 -0.30 -0.03 0.00 -1.25 0.00 0.00 55.69 54.11 1mal s MET 320 Cb 0.00 -1.03 -0.01 0.00 2.84 0.00 0.00 34.83 36.63 1mal s MET 320 CO 0.00 0.06 0.40 -1.54 -0.65 0.00 0.00 175.02 173.30 1mal s SER 321 N 0.42 0.74 -0.13 1.11 1.04 -0.97 -1.85 113.70 114.06 1mal s SER 321 Ca -0.07 -1.42 -0.00 0.00 0.48 0.00 0.00 55.95 54.94 1mal s SER 321 Cb -0.11 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.63 1mal s SER 321 CO 0.01 -1.18 -0.08 -0.89 0.98 0.00 0.00 173.24 172.09 1mal s THR 322 N -3.42 1.10 0.03 2.02 2.01 -0.86 -1.82 115.64 114.69 1mal s THR 322 Ca 0.32 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.94 1mal s THR 322 Cb 0.01 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 1mal s THR 322 CO 0.18 0.32 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.72 1mal s VAL 323 N 1.67 4.01 -0.03 3.82 1.01 0.83 -1.47 120.40 130.25 1mal s VAL 323 Ca 0.04 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 1mal s VAL 323 Cb -0.13 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.43 1mal s VAL 323 CO -0.08 0.29 0.10 -0.32 0.00 0.00 0.00 175.10 175.09 1mal s MET 324 N -1.78 0.19 -0.02 2.72 1.75 -1.06 -0.66 119.30 120.45 1mal s MET 324 Ca 0.21 0.00 0.02 0.00 -1.25 0.00 0.00 55.69 54.67 1mal s MET 324 Cb -0.11 0.08 0.01 0.00 2.84 0.00 0.00 34.83 37.65 1mal s MET 324 CO 0.12 -0.03 -0.05 -2.00 -0.65 0.00 0.00 175.02 172.41 1mal s GLU 325 N -0.29 0.61 -0.07 4.11 2.12 -0.73 -2.57 118.70 121.89 1mal s GLU 325 Ca -0.04 -0.17 0.01 0.00 0.36 0.00 0.00 54.97 55.13 1mal s GLU 325 Cb -0.03 -0.61 0.02 0.00 0.26 0.00 0.00 34.13 33.77 1mal s GLU 325 CO 0.00 0.05 -0.06 0.42 -0.54 0.00 0.00 175.26 175.14 1mal s ILE 326 N 0.26 0.74 0.05 -3.70 1.01 -0.65 -1.19 121.20 117.71 1mal s ILE 326 Ca -0.03 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.44 1mal s ILE 326 Cb -0.07 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 1mal s ILE 326 CO -0.00 0.29 -0.05 -0.83 0.00 0.00 0.00 174.94 174.35 1mal s GLY 327 N 1.22 0.50 -0.02 6.18 0.00 -0.15 -1.55 107.32 113.50 1mal s GLY 327 Ca -0.06 -0.95 -0.01 0.00 0.00 0.00 0.00 44.72 43.70 1mal s GLY 327 CO -0.02 -1.03 0.04 -0.47 0.00 0.00 0.00 173.10 171.62 1mal s TYR 328 N -2.44 -0.03 0.15 1.90 5.04 0.17 -0.38 117.35 121.76 1mal s TYR 328 Ca -0.03 0.15 0.08 0.00 -2.44 0.00 0.00 57.07 54.83 1mal s TYR 328 Cb -0.03 -0.09 -0.04 0.00 0.35 0.00 0.00 41.96 42.15 1mal s TYR 328 CO -0.03 -0.06 -0.17 -0.51 -1.34 0.00 0.00 175.55 173.43 1mal s ASP 329 N 0.55 2.48 -0.24 4.32 1.01 -0.44 -2.56 116.67 121.79 1mal s ASP 329 Ca -0.04 -0.84 -0.06 0.00 0.71 0.00 0.00 52.55 52.32 1mal s ASP 329 Cb -0.06 -0.13 0.12 0.00 1.01 0.00 0.00 42.92 43.86 1mal s ASP 329 CO -0.02 -0.06 0.47 0.21 0.21 0.00 0.00 175.17 175.98 1mal s ASN 330 N -2.56 -0.43 -0.06 0.27 3.84 -0.94 -1.79 114.94 113.27 1mal s ASN 330 Ca 0.13 0.89 0.05 0.00 0.21 0.00 0.00 52.86 54.15 1mal s ASN 330 Cb -0.06 1.56 -0.01 0.00 -0.55 0.00 0.00 41.25 42.20 1mal s ASN 330 CO 0.05 -0.25 -0.22 -0.69 -2.79 0.00 0.00 177.10 173.21 1mal s VAL 331 N 2.68 1.80 -0.13 -5.21 1.01 0.52 -1.98 120.40 119.09 1mal s VAL 331 Ca 0.04 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 1mal s VAL 331 Cb -0.13 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1mal s VAL 331 CO -0.16 0.51 -0.13 -0.70 0.00 0.00 0.00 175.10 174.62 1mal s GLU 332 N 0.01 3.38 0.05 2.72 2.12 -0.67 -0.63 118.70 125.69 1mal s GLU 332 Ca -0.06 -0.69 -0.31 0.00 0.36 0.00 0.00 54.97 54.27 1mal s GLU 332 Cb -0.14 -2.63 -0.06 0.00 0.26 0.00 0.00 34.13 31.56 1mal s GLU 332 CO 0.04 0.21 1.32 0.45 -0.54 0.00 0.00 175.26 176.74 1mal s SER 333 N 0.35 6.93 0.09 -1.70 0.15 -0.33 -1.92 113.70 117.27 1mal s SER 333 Ca -0.11 2.13 -0.21 0.00 0.70 0.00 0.00 55.95 58.47 1mal s SER 333 Cb -0.16 -2.57 -0.10 0.00 -1.71 0.00 0.00 66.02 61.48 1mal s SER 333 CO 0.06 -0.61 1.65 -0.61 1.20 0.00 0.00 173.24 174.93 1mal h GLN 334 N 7.13 0.23 -0.67 5.44 4.15 -1.51 0.10 115.11 129.99 1mal h GLN 334 Ca -0.40 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.01 1mal h GLN 334 Cb 1.20 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.80 1mal h GLN 334 CO 0.86 0.29 0.41 -0.09 -1.93 0.00 0.00 178.83 178.37 1mal h ARG 335 N 0.13 0.78 -0.00 1.69 2.43 -0.73 -3.33 114.38 115.35 1mal h ARG 335 Ca 0.06 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1mal h ARG 335 Cb 0.13 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1mal h ARG 335 CO -0.01 0.52 -0.26 0.25 -1.51 0.00 0.00 179.97 178.96 1mal n THR 336 N -4.70 0.00 -0.38 0.20 -2.24 -1.20 -4.99 114.28 100.98 1mal n THR 336 Ca 0.07 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1mal n THR 336 Cb 0.09 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1mal n THR 336 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mal n GLY 337 N 0.99 1.34 3.79 3.38 0.00 0.36 -4.97 105.19 110.08 1mal n GLY 337 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1mal n GLY 337 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mal s ASP 338 N -2.99 4.93 -0.07 1.61 1.11 -1.26 -4.71 116.67 115.29 1mal s ASP 338 Ca 0.00 1.73 0.03 0.00 0.18 0.00 0.00 52.55 54.49 1mal s ASP 338 Cb 0.00 -2.51 0.01 0.00 1.07 0.00 0.00 42.92 41.49 1mal s ASP 338 CO 0.00 -1.75 -0.16 -0.54 1.18 0.00 0.00 175.17 173.90 1mal s LYS 339 N -4.95 2.05 -0.10 8.23 1.02 -1.26 -1.19 119.74 123.53 1mal s LYS 339 Ca 0.60 -0.55 -0.05 0.00 0.02 0.00 0.00 55.97 55.98 1mal s LYS 339 Cb -0.16 -1.65 -0.04 0.00 -0.52 0.00 0.00 37.83 35.47 1mal s LYS 339 CO 0.55 0.09 0.10 -0.80 -0.92 0.00 0.00 175.35 174.38 1mal s ASN 340 N 0.51 6.07 0.21 2.83 0.01 0.20 -3.63 114.94 121.14 1mal s ASN 340 Ca -0.15 0.37 -0.19 0.00 -0.71 0.00 0.00 52.86 52.19 1mal s ASN 340 Cb -0.16 -1.90 0.03 0.00 0.41 0.00 0.00 41.25 39.63 1mal s ASN 340 CO 0.05 0.39 0.57 0.54 -1.51 0.00 0.00 177.10 177.14 1mal s ASN 341 N -1.05 -0.30 0.00 -1.22 6.03 -1.08 -0.36 114.94 116.96 1mal s ASN 341 Ca 0.15 -0.45 -0.29 0.00 -1.03 0.00 0.00 52.86 51.25 1mal s ASN 341 Cb -0.12 0.61 0.10 0.00 -3.03 0.00 0.00 41.25 38.81 1mal s ASN 341 CO 0.04 -1.09 0.98 -1.58 -2.03 0.00 0.00 177.10 173.42 1mal s GLN 342 N -3.87 0.80 -0.06 3.55 0.74 -0.74 -1.56 119.66 118.53 1mal s GLN 342 Ca 0.09 -0.35 -0.08 0.00 0.05 0.00 0.00 55.36 55.07 1mal s GLN 342 Cb -0.02 0.33 0.02 0.00 1.10 0.00 0.00 33.01 34.44 1mal s GLN 342 CO -0.02 -0.36 0.21 1.52 -0.55 0.00 0.00 175.29 176.09 1mal s TYR 343 N -3.00 -0.17 0.06 1.67 -0.85 -1.00 -1.33 117.35 112.72 1mal s TYR 343 Ca 0.08 0.41 0.08 0.00 -0.52 0.00 0.00 57.07 57.12 1mal s TYR 343 Cb -0.01 0.06 -0.03 0.00 0.38 0.00 0.00 41.96 42.36 1mal s TYR 343 CO -0.05 -0.17 -0.23 0.21 -1.52 0.00 0.00 175.55 173.79 1mal s LYS 344 N -0.30 1.49 -0.07 -3.49 2.20 0.49 -2.70 119.74 117.36 1mal s LYS 344 Ca -0.04 -1.06 -0.02 0.00 -0.36 0.00 0.00 55.97 54.49 1mal s LYS 344 Cb -0.03 -1.68 0.03 0.00 -1.51 0.00 0.00 37.83 34.64 1mal s LYS 344 CO 0.01 0.42 0.02 0.42 -0.36 0.00 0.00 175.35 175.86 1mal s ILE 345 N -0.87 0.24 0.04 5.43 1.01 -0.63 -0.97 121.20 125.45 1mal s ILE 345 Ca 0.09 0.17 0.07 0.00 0.00 0.00 0.00 60.65 60.98 1mal s ILE 345 Cb -0.09 -0.46 -0.02 0.00 0.01 0.00 0.00 42.46 41.89 1mal s ILE 345 CO 0.03 0.20 -0.22 -0.89 0.00 0.00 0.00 174.94 174.06 1mal s THR 346 N 2.02 1.74 -0.10 2.92 2.01 -0.34 -1.46 115.64 122.43 1mal s THR 346 Ca 0.05 -1.19 0.01 0.00 0.31 0.00 0.00 61.69 60.87 1mal s THR 346 Cb -0.12 -1.50 0.02 0.00 0.01 0.00 0.00 72.50 70.91 1mal s THR 346 CO -0.05 0.27 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.82 1mal s LEU 347 N -1.09 1.46 0.03 4.42 1.98 -0.06 -1.78 118.68 123.65 1mal s LEU 347 Ca 0.08 -0.34 0.01 0.00 -2.89 0.00 0.00 54.13 50.98 1mal s LEU 347 Cb -0.09 -0.92 -0.02 0.00 0.66 0.00 0.00 46.19 45.82 1mal s LEU 347 CO 0.01 -0.05 -0.05 0.00 -1.89 0.00 0.00 176.35 174.38 1mal s ALA 348 N 1.28 0.35 -0.29 5.97 0.00 0.17 -1.78 121.76 127.46 1mal s ALA 348 Ca -0.02 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 1mal s ALA 348 Cb -0.14 0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.16 1mal s ALA 348 CO -0.04 -0.15 -0.01 -1.14 0.00 0.00 0.00 175.76 174.42 1mal s GLN 349 N -1.92 2.57 0.40 0.00 2.00 -0.43 -0.12 119.66 122.17 1mal s GLN 349 Ca -0.10 -1.17 0.08 0.00 -2.00 0.00 0.00 55.36 52.17 1mal s GLN 349 Cb -0.07 -3.14 -0.05 0.00 0.80 0.00 0.00 33.01 30.55 1mal s GLN 349 CO -0.02 -0.55 0.19 1.14 -0.50 0.00 0.00 175.29 175.55 1mal s GLN 350 N 1.29 2.28 -0.25 1.67 -2.07 -0.76 -2.68 119.66 119.14 1mal s GLN 350 Ca -0.03 -1.75 -0.02 0.00 -1.82 0.00 0.00 55.36 51.74 1mal s GLN 350 Cb -0.19 -2.06 0.08 0.00 -1.09 0.00 0.00 33.01 29.75 1mal s GLN 350 CO -0.02 -0.07 0.07 -1.58 -1.32 0.00 0.00 175.29 172.36 1mal s TRP 351 N -2.55 1.31 0.52 9.60 0.51 -0.97 -2.28 118.94 125.08 1mal s TRP 351 Ca 0.41 -1.27 0.06 0.00 -2.12 0.00 0.00 56.10 53.18 1mal s TRP 351 Cb 0.02 -1.33 0.03 0.00 -0.81 0.00 0.00 33.47 31.38 1mal s TRP 351 CO 0.23 -0.75 0.41 -0.65 -0.51 0.00 0.00 176.95 175.68 1mal s GLN 352 N 1.76 2.29 -0.89 4.98 1.11 -1.16 -2.09 119.66 125.65 1mal s GLN 352 Ca 0.04 -1.92 0.00 0.00 0.01 0.00 0.00 55.36 53.50 1mal s GLN 352 Cb -0.17 -2.16 0.31 0.00 -1.01 0.00 0.00 33.01 29.97 1mal s GLN 352 CO -0.18 -0.55 1.36 0.00 0.01 0.00 0.00 175.29 175.93 1mal n ALA 353 N -1.73 5.17 0.00 6.09 0.00 -1.00 -4.73 120.51 124.30 1mal n ALA 353 Ca 0.00 -4.73 0.00 0.00 0.00 0.00 0.00 53.44 48.72 1mal n ALA 353 Cb 0.64 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1mal n ALA 353 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mal n GLY 354 N 0.53 1.62 1.37 0.00 0.00 -1.26 -4.63 105.19 102.81 1mal n GLY 354 Ca 0.34 -1.02 0.02 0.00 0.00 0.00 0.00 46.02 45.37 1mal n GLY 354 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mal n ASP 355 N 0.00 4.15 -4.50 1.61 5.75 -1.25 -4.46 116.55 117.85 1mal n ASP 355 Ca 0.00 -3.19 -0.27 0.00 -0.01 0.00 0.00 54.79 51.32 1mal n ASP 355 Cb 0.00 -0.63 -0.11 0.00 -1.03 0.00 0.00 41.12 39.35 1mal n ASP 355 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1mal s SER 356 N -1.65 3.87 0.51 -1.12 0.15 -1.26 -4.97 113.70 109.22 1mal s SER 356 Ca 0.48 -0.70 0.31 0.00 0.70 0.00 0.00 55.95 56.74 1mal s SER 356 Cb 0.39 -0.51 1.15 0.00 -1.71 0.00 0.00 66.02 65.34 1mal s SER 356 CO 0.10 0.12 1.90 -0.29 1.20 0.00 0.00 173.24 176.26 1mal h ILE 357 N 3.02 0.00 -0.37 6.45 2.10 -1.96 -2.65 117.51 124.10 1mal h ILE 357 Ca -0.47 -0.58 0.00 0.00 1.08 0.00 0.00 64.86 64.89 1mal h ILE 357 Cb 1.20 1.56 0.00 0.00 -1.09 0.00 0.00 36.82 38.50 1mal h ILE 357 CO 0.51 0.00 0.00 0.79 -1.08 0.00 0.00 178.15 178.37 1mal n TRP 358 N -3.02 0.48 -4.08 2.19 7.02 -1.26 -4.97 117.44 113.80 1mal n TRP 358 Ca 0.01 -0.24 -0.35 0.00 -1.02 0.00 0.00 57.50 55.90 1mal n TRP 358 Cb 0.34 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.14 1mal n TRP 358 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1mal s SER 359 N -1.40 5.63 0.27 -0.99 1.04 -1.00 -5.09 113.70 112.16 1mal s SER 359 Ca 0.37 0.15 0.05 0.00 0.48 0.00 0.00 55.95 57.00 1mal s SER 359 Cb 0.21 -1.86 -0.06 0.00 0.10 0.00 0.00 66.02 64.41 1mal s SER 359 CO 0.29 0.26 -0.01 -0.13 0.98 0.00 0.00 173.24 174.63 1mal s ARG 360 N -0.14 1.49 0.65 4.02 1.81 -1.26 -4.56 118.95 120.97 1mal s ARG 360 Ca 0.07 -1.78 -0.17 0.00 -1.72 0.00 0.00 55.73 52.13 1mal s ARG 360 Cb -0.12 -0.88 -0.05 0.00 -0.45 0.00 0.00 34.95 33.45 1mal s ARG 360 CO 0.01 -0.07 0.70 -2.30 -0.68 0.00 0.00 175.30 172.96 1mal n PRO 361 N -0.55 0.53 -3.99 3.54 -0.02 -1.26 -4.71 135.00 128.54 1mal n PRO 361 Ca -0.04 0.22 -0.12 0.00 -2.02 0.00 0.00 63.50 61.54 1mal n PRO 361 Cb 0.64 -1.94 -0.12 0.00 -0.02 0.00 0.00 33.50 32.06 1mal n PRO 361 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mal s ALA 362 N -1.75 0.23 -0.10 3.55 0.00 -0.86 -2.37 121.76 120.46 1mal s ALA 362 Ca 0.70 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.28 1mal s ALA 362 Cb -0.39 0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.79 1mal s ALA 362 CO 0.53 -0.04 -0.15 0.42 0.00 0.00 0.00 175.76 176.52 1mal s ILE 363 N -0.81 1.44 0.21 0.00 1.01 -0.89 -2.60 121.20 119.56 1mal s ILE 363 Ca -0.07 -0.61 0.11 0.00 0.00 0.00 0.00 60.65 60.08 1mal s ILE 363 Cb -0.06 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 41.05 1mal s ILE 363 CO -0.00 0.43 -0.20 -0.13 0.00 0.00 0.00 174.94 175.04 1mal s ARG 364 N 0.99 1.68 -0.08 2.79 0.52 0.11 -2.29 118.95 122.67 1mal s ARG 364 Ca -0.07 -1.54 0.01 0.00 -0.52 0.00 0.00 55.73 53.61 1mal s ARG 364 Cb -0.15 -1.89 0.02 0.00 0.52 0.00 0.00 34.95 33.45 1mal s ARG 364 CO -0.01 0.39 -0.08 0.08 0.02 0.00 0.00 175.30 175.70 1mal s VAL 365 N -1.90 0.90 0.26 3.52 1.01 -1.09 -1.74 120.40 121.36 1mal s VAL 365 Ca 0.24 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 1mal s VAL 365 Cb -0.07 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 1mal s VAL 365 CO 0.12 0.33 0.37 0.72 0.00 0.00 0.00 175.10 176.64 1mal s PHE 366 N 1.28 0.81 -0.08 5.22 -0.71 -0.16 -1.31 117.98 123.03 1mal s PHE 366 Ca -0.04 -1.08 -0.06 0.00 -1.04 0.00 0.00 56.93 54.71 1mal s PHE 366 Cb -0.14 -0.12 0.03 0.00 -1.21 0.00 0.00 43.02 41.59 1mal s PHE 366 CO -0.03 -0.93 0.21 0.00 -1.34 0.00 0.00 175.22 173.13 1mal s ALA 367 N -3.79 -0.48 0.06 1.99 0.00 -0.73 -1.17 121.76 117.64 1mal s ALA 367 Ca 0.30 0.72 0.06 0.00 0.00 0.00 0.00 51.96 53.03 1mal s ALA 367 Cb 0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 1mal s ALA 367 CO 0.13 -0.14 -0.17 0.99 0.00 0.00 0.00 175.76 176.58 1mal s THR 368 N 0.63 1.36 -0.01 0.00 2.01 -0.17 -0.88 115.64 118.58 1mal s THR 368 Ca -0.04 -1.24 0.01 0.00 0.31 0.00 0.00 61.69 60.73 1mal s THR 368 Cb -0.06 -1.24 0.00 0.00 0.01 0.00 0.00 72.50 71.22 1mal s THR 368 CO -0.03 -0.03 -0.02 -0.47 -0.69 0.00 0.00 174.62 173.38 1mal s TYR 369 N -1.02 0.23 -0.08 4.92 5.04 -0.54 -1.53 117.35 124.39 1mal s TYR 369 Ca 0.03 -0.03 -0.07 0.00 -2.44 0.00 0.00 57.07 54.56 1mal s TYR 369 Cb -0.09 -0.19 0.02 0.00 0.35 0.00 0.00 41.96 42.05 1mal s TYR 369 CO 0.02 -0.03 0.21 0.00 -1.34 0.00 0.00 175.55 174.41 1mal s ALA 370 N 0.17 -0.51 -0.09 3.97 0.00 0.05 -1.60 121.76 123.75 1mal s ALA 370 Ca -0.01 0.60 0.01 0.00 0.00 0.00 0.00 51.96 52.55 1mal s ALA 370 Cb -0.04 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.75 1mal s ALA 370 CO -0.00 -0.10 -0.10 0.21 0.00 0.00 0.00 175.76 175.77 1mal s LYS 371 N 0.16 1.58 0.27 0.00 2.20 -1.10 -1.57 119.74 121.28 1mal s LYS 371 Ca -0.00 -0.32 0.07 0.00 -0.36 0.00 0.00 55.97 55.35 1mal s LYS 371 Cb -0.02 -1.47 -0.06 0.00 -1.51 0.00 0.00 37.83 34.77 1mal s LYS 371 CO -0.00 -0.13 -0.07 1.67 -0.36 0.00 0.00 175.35 176.46 1mal s TRP 372 N 1.20 1.93 -0.37 4.03 -2.14 -1.01 -2.39 118.94 120.20 1mal s TRP 372 Ca -0.05 -0.68 0.04 0.00 2.66 0.00 0.00 56.10 58.08 1mal s TRP 372 Cb -0.14 -1.07 0.16 0.00 -3.10 0.00 0.00 33.47 29.32 1mal s TRP 372 CO -0.03 0.30 0.45 0.34 -2.66 0.00 0.00 176.95 175.35 1mal s ASP 373 N -3.43 0.34 -0.21 -2.66 2.15 -0.60 -1.84 116.67 110.42 1mal s ASP 373 Ca 0.29 -1.16 -0.09 0.00 0.43 0.00 0.00 52.55 52.02 1mal s ASP 373 Cb 0.03 1.02 -0.05 0.00 -0.30 0.00 0.00 42.92 43.62 1mal s ASP 373 CO 0.11 -0.25 0.11 -1.61 -0.17 0.00 0.00 175.17 173.36 1mal s GLU 374 N 1.74 4.07 0.00 4.34 2.02 0.18 -2.65 118.70 128.40 1mal s GLU 374 Ca 0.15 -0.28 0.12 0.00 0.02 0.00 0.00 54.97 54.99 1mal s GLU 374 Cb -0.12 -3.38 0.35 0.00 0.10 0.00 0.00 34.13 31.08 1mal s GLU 374 CO -0.09 0.22 1.29 1.63 0.02 0.00 0.00 175.26 178.33 1mal n LYS 375 N 3.76 2.82 -3.66 1.61 5.02 -1.24 -4.21 118.16 122.27 1mal n LYS 375 Ca -0.16 -2.13 -0.10 0.00 -2.02 0.00 0.00 58.31 53.90 1mal n LYS 375 Cb 0.52 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 34.18 1mal n LYS 375 CO 0.00 0.00 0.00 1.67 -0.52 0.00 0.00 177.40 178.55 1mal s TRP 376 N -1.00 -0.22 0.34 2.13 1.48 -1.26 -1.84 118.94 118.56 1mal s TRP 376 Ca 0.27 -0.09 -0.10 0.00 -1.06 0.00 0.00 56.10 55.11 1mal s TRP 376 Cb 0.14 0.41 0.04 0.00 -1.16 0.00 0.00 33.47 32.90 1mal s TRP 376 CO 0.18 -0.87 0.63 0.41 -4.06 0.00 0.00 176.95 173.24 1mal n GLY 377 N -0.33 1.35 3.77 3.67 0.00 0.12 -3.86 105.19 109.92 1mal n GLY 377 Ca -0.12 -1.30 -0.36 0.00 0.00 0.00 0.00 46.02 44.24 1mal n GLY 377 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mal s TYR 378 N -3.11 3.44 -0.51 1.61 1.51 -1.26 -0.41 117.35 118.61 1mal s TYR 378 Ca 0.16 0.35 -0.26 0.00 -1.01 0.00 0.00 57.07 56.32 1mal s TYR 378 Cb -0.04 -2.01 0.03 0.00 -0.11 0.00 0.00 41.96 39.83 1mal s TYR 378 CO 0.12 0.47 1.01 0.34 -1.11 0.00 0.00 175.55 176.39 1mal s ASP 379 N -0.35 6.46 -0.04 2.29 2.15 -0.17 -4.77 116.67 122.24 1mal s ASP 379 Ca 0.11 0.02 0.06 0.00 0.43 0.00 0.00 52.55 53.17 1mal s ASP 379 Cb -0.12 -2.48 0.12 0.00 -0.30 0.00 0.00 42.92 40.15 1mal s ASP 379 CO 0.01 -1.22 1.08 -1.22 -0.17 0.00 0.00 175.17 173.65 1mal n TYR 380 N 7.61 0.10 -2.40 -5.34 4.01 -1.26 0.14 117.16 120.02 1mal n TYR 380 Ca 0.06 -0.63 -0.36 0.00 -0.16 0.00 0.00 57.90 56.81 1mal n TYR 380 Cb 0.48 -0.08 -0.02 0.00 -0.31 0.00 0.00 39.34 39.41 1mal n TYR 380 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1mal s THR 381 N -1.49 3.42 0.00 -0.72 -4.23 -1.26 -4.80 115.64 106.55 1mal s THR 381 Ca 0.12 1.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.65 1mal s THR 381 Cb 0.09 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.43 1mal s THR 381 CO 0.03 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1mal n GLY 382 N 0.27 0.33 3.02 3.99 0.00 -1.26 -4.76 105.19 106.78 1mal n GLY 382 Ca 0.07 -1.29 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 1mal n GLY 382 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mal s ASN 383 N -4.00 0.38 0.39 1.61 3.84 -1.26 -4.95 114.94 110.95 1mal s ASN 383 Ca 0.00 -0.64 0.28 0.00 0.21 0.00 0.00 52.86 52.71 1mal s ASN 383 Cb 0.00 0.12 1.35 0.00 -0.55 0.00 0.00 41.25 42.17 1mal s ASN 383 CO 0.00 -0.37 1.84 0.00 -2.79 0.00 0.00 177.10 175.78 1mal h ALA 384 N 4.23 1.00 0.01 1.71 0.00 -1.90 0.46 119.26 124.77 1mal h ALA 384 Ca -0.33 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.29 1mal h ALA 384 Cb 1.19 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1mal h ALA 384 CO 0.48 0.00 -1.60 -3.47 0.00 0.00 0.00 179.25 174.66 1mal n ASP 385 N -2.50 1.90 -0.14 0.00 2.03 -1.26 -4.37 116.55 112.20 1mal n ASP 385 Ca -0.00 0.39 -0.06 0.00 0.52 0.00 0.00 54.79 55.63 1mal n ASP 385 Cb 0.14 -0.92 0.03 0.00 -0.72 0.00 0.00 41.12 39.64 1mal n ASP 385 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1mal h ASN 386 N -0.93 0.38 -2.64 1.67 2.35 -1.87 -3.43 115.58 111.10 1mal h ASN 386 Ca -0.44 0.01 -0.67 0.00 -0.55 0.00 0.00 56.30 54.66 1mal h ASN 386 Cb 1.42 -0.06 -0.07 0.00 0.05 0.00 0.00 38.32 39.65 1mal h ASN 386 CO -0.24 0.27 -0.48 0.21 -1.65 0.00 0.00 177.43 175.54 1mal s ASN 387 N -5.51 6.39 0.00 5.81 3.84 0.16 -4.88 114.94 120.76 1mal s ASN 387 Ca -0.13 0.48 0.17 0.00 0.21 0.00 0.00 52.86 53.59 1mal s ASN 387 Cb 0.12 -2.07 -0.01 0.00 -0.55 0.00 0.00 41.25 38.74 1mal s ASN 387 CO 0.73 0.41 0.88 0.00 -2.79 0.00 0.00 177.10 176.33 1mal n ALA 388 N 1.98 3.29 -0.88 1.71 0.00 -1.26 -4.00 120.51 121.34 1mal n ALA 388 Ca -0.20 -0.55 0.08 0.00 0.00 0.00 0.00 53.44 52.77 1mal n ALA 388 Cb 0.55 -0.60 0.22 0.00 0.00 0.00 0.00 19.45 19.62 1mal n ALA 388 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mal n ASN 389 N -0.17 3.51 -4.64 0.00 4.13 -1.26 -5.01 115.26 111.81 1mal n ASN 389 Ca 0.07 -2.88 -0.43 0.00 1.68 0.00 0.00 54.58 53.02 1mal n ASN 389 Cb 0.36 -0.48 -0.03 0.00 -1.54 0.00 0.00 39.78 38.09 1mal n ASN 389 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1mal n PHE 390 N -0.52 2.33 -0.66 3.10 7.35 -1.26 -1.26 117.46 126.55 1mal n PHE 390 Ca 0.19 -0.26 0.00 0.00 -0.76 0.00 0.00 57.45 56.62 1mal n PHE 390 Cb 0.79 -2.77 0.00 0.00 0.35 0.00 0.00 39.48 37.85 1mal n PHE 390 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1mal n GLY 391 N 4.90 0.65 3.88 7.13 0.00 0.37 -5.00 105.19 117.13 1mal n GLY 391 Ca 0.23 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1mal n GLY 391 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mal s LYS 392 N -0.56 3.27 0.09 1.61 -0.14 -0.39 -4.72 119.74 118.91 1mal s LYS 392 Ca 0.00 -0.58 -0.31 0.00 -1.36 0.00 0.00 55.97 53.72 1mal s LYS 392 Cb 0.00 -2.91 -0.07 0.00 -1.68 0.00 0.00 37.83 33.16 1mal s LYS 392 CO 0.00 0.56 1.36 0.00 -0.76 0.00 0.00 175.35 176.52 1mal s ALA 393 N -1.57 3.56 0.03 5.17 0.00 -1.26 -1.00 121.76 126.68 1mal s ALA 393 Ca 0.33 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 53.33 1mal s ALA 393 Cb -0.12 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 1mal s ALA 393 CO 0.26 -0.62 0.01 0.14 0.00 0.00 0.00 175.76 175.55 1mal s VAL 394 N 1.24 0.14 1.00 0.00 -7.23 0.45 -4.81 120.40 111.20 1mal s VAL 394 Ca 0.64 -1.17 -0.11 0.00 -1.81 0.00 0.00 61.98 59.53 1mal s VAL 394 Cb -0.35 -0.73 0.19 0.00 0.56 0.00 0.00 36.38 36.05 1mal s VAL 394 CO 0.30 -0.64 1.10 -2.16 -0.31 0.00 0.00 175.10 173.39 1mal s PRO 395 N -2.33 0.34 0.46 4.82 0.04 -1.26 -0.70 135.00 136.36 1mal s PRO 395 Ca -0.08 1.31 0.16 0.00 0.04 0.00 0.00 61.00 62.43 1mal s PRO 395 Cb -0.03 -1.67 1.11 0.00 0.04 0.00 0.00 34.50 33.95 1mal s PRO 395 CO -0.04 -3.01 2.00 0.00 0.04 0.00 0.00 177.00 175.98 1mal h ALA 396 N -2.14 2.10 -0.14 8.56 0.00 -1.68 -2.62 119.26 123.34 1mal h ALA 396 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1mal h ALA 396 Cb 1.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1mal h ALA 396 CO 0.45 -0.22 0.00 -0.40 0.00 0.00 0.00 179.25 179.07 1mal n ASP 397 N -4.46 2.39 -2.95 0.00 5.68 -1.26 -1.19 116.55 114.76 1mal n ASP 397 Ca 0.09 -1.69 -0.42 0.00 -0.50 0.00 0.00 54.79 52.27 1mal n ASP 397 Cb 0.39 -0.09 -0.07 0.00 -1.14 0.00 0.00 41.12 40.21 1mal n ASP 397 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1mal n PHE 398 N 0.69 1.05 -3.90 2.11 7.35 -0.99 0.09 117.46 123.86 1mal n PHE 398 Ca 0.09 0.69 -0.26 0.00 -0.76 0.00 0.00 57.45 57.21 1mal n PHE 398 Cb 0.36 -1.42 0.01 0.00 0.35 0.00 0.00 39.48 38.78 1mal n PHE 398 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1mal n ASN 399 N 2.91 -1.92 0.00 -2.13 3.02 -1.26 -2.48 115.26 113.39 1mal n ASN 399 Ca 0.22 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 1mal n ASN 399 Cb -0.04 -3.53 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 1mal n ASN 399 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mal n GLY 400 N -1.72 0.42 3.85 7.41 0.00 0.11 -4.94 105.19 110.33 1mal n GLY 400 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 1mal n GLY 400 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mal s GLY 401 N -1.71 1.68 -0.11 -0.02 0.00 -1.04 -5.02 107.32 101.11 1mal s GLY 401 Ca 0.00 -0.95 -0.00 0.00 0.00 0.00 0.00 44.72 43.77 1mal s GLY 401 CO 0.00 -0.25 -0.09 -1.35 0.00 0.00 0.00 173.10 171.41 1mal s SER 402 N -4.54 4.38 0.49 1.64 1.04 -1.26 -4.15 113.70 111.29 1mal s SER 402 Ca 0.70 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.95 1mal s SER 402 Cb -0.08 -1.43 -0.00 0.00 0.10 0.00 0.00 66.02 64.61 1mal s SER 402 CO 0.53 0.24 0.02 0.49 0.98 0.00 0.00 173.24 175.50 1mal n PHE 403 N 3.02 1.03 -1.19 5.02 3.72 -0.34 -5.01 117.46 123.71 1mal n PHE 403 Ca -0.18 -2.46 0.16 0.00 -0.05 0.00 0.00 57.45 54.92 1mal n PHE 403 Cb 0.53 -0.29 -0.05 0.00 -0.94 0.00 0.00 39.48 38.73 1mal n PHE 403 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1mal n GLY 404 N -0.90 -2.07 0.05 1.37 0.00 -1.25 -4.48 105.19 97.90 1mal n GLY 404 Ca -0.19 -1.20 0.11 0.00 0.00 0.00 0.00 46.02 44.74 1mal n GLY 404 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1mal n ARG 405 N -3.79 0.13 0.00 1.61 0.63 -1.26 -5.03 116.66 108.94 1mal n ARG 405 Ca -0.01 -0.09 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 1mal n ARG 405 Cb 0.55 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.96 1mal n ARG 405 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1mal n GLY 406 N 1.48 -1.71 2.61 5.14 0.00 -1.26 -4.76 105.19 106.69 1mal n GLY 406 Ca 0.06 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 1mal n GLY 406 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mal s ASP 407 N -4.00 3.54 0.00 1.61 2.15 -1.26 0.47 116.67 119.19 1mal s ASP 407 Ca 0.00 -1.93 0.00 0.00 0.43 0.00 0.00 52.55 51.05 1mal s ASP 407 Cb 0.00 -0.66 0.00 0.00 -0.30 0.00 0.00 42.92 41.96 1mal s ASP 407 CO 0.00 -0.36 0.00 -0.24 -0.17 0.00 0.00 175.17 174.40 1mal n SER 408 N 4.43 0.00 -3.88 -0.34 2.88 -0.77 -4.99 113.62 110.96 1mal n SER 408 Ca 0.03 -0.05 -0.09 0.00 -1.33 0.00 0.00 58.87 57.43 1mal n SER 408 Cb 0.39 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.79 1mal n SER 408 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1mal s ASP 409 N 1.23 -0.03 0.00 -3.46 2.15 -1.26 -2.40 116.67 112.90 1mal s ASP 409 Ca 0.00 -0.72 0.00 0.00 0.43 0.00 0.00 52.55 52.26 1mal s ASP 409 Cb 0.00 0.45 0.00 0.00 -0.30 0.00 0.00 42.92 43.07 1mal s ASP 409 CO 0.00 -0.90 0.00 1.21 -0.17 0.00 0.00 175.17 175.31 1mal n GLU 410 N -0.22 0.00 -3.86 4.34 4.07 -0.61 -5.01 120.64 119.35 1mal n GLU 410 Ca -0.10 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.89 1mal n GLU 410 Cb 0.63 0.00 -0.12 0.00 -0.06 0.00 0.00 31.44 31.89 1mal n GLU 410 CO 0.00 0.00 0.00 1.67 -0.06 0.00 0.00 177.13 178.74 1mal s TRP 411 N -2.00 -0.02 0.41 4.31 1.48 -1.26 -0.77 118.94 121.09 1mal s TRP 411 Ca 0.00 0.06 0.04 0.00 -1.06 0.00 0.00 56.10 55.14 1mal s TRP 411 Cb 0.00 -0.02 -0.02 0.00 -1.16 0.00 0.00 33.47 32.27 1mal s TRP 411 CO 0.00 -0.14 0.13 0.95 -4.06 0.00 0.00 176.95 173.82 1mal s THR 412 N -0.56 0.62 -0.27 0.66 -4.23 -0.58 0.72 115.64 112.00 1mal s THR 412 Ca -0.06 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.15 1mal s THR 412 Cb -0.04 -2.34 0.18 0.00 1.34 0.00 0.00 72.50 71.64 1mal s THR 412 CO 0.00 0.00 1.30 0.72 -0.54 0.00 0.00 174.62 176.11 1mal s PHE 413 N -3.19 -0.09 -0.18 3.99 -0.12 -0.76 -0.99 117.98 116.63 1mal s PHE 413 Ca 0.23 0.15 0.00 0.00 -0.05 0.00 0.00 56.93 57.26 1mal s PHE 413 Cb 0.02 0.49 0.00 0.00 -0.63 0.00 0.00 43.02 42.90 1mal s PHE 413 CO 0.14 -0.08 0.00 0.41 -0.05 0.00 0.00 175.22 175.64 1mal n GLY 414 N 0.55 -0.78 3.01 1.99 0.00 -0.32 -1.73 105.19 107.92 1mal n GLY 414 Ca -0.02 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 1mal n GLY 414 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mal s ALA 415 N -1.00 0.64 0.13 4.61 0.00 -0.71 -0.99 121.76 124.44 1mal s ALA 415 Ca 0.00 -0.40 -0.15 0.00 0.00 0.00 0.00 51.96 51.41 1mal s ALA 415 Cb 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.02 1mal s ALA 415 CO 0.00 0.13 0.38 -1.14 0.00 0.00 0.00 175.76 175.14 1mal s GLN 416 N -0.40 1.09 0.24 0.00 0.74 -0.71 -1.87 119.66 118.74 1mal s GLN 416 Ca 0.01 -0.79 0.11 0.00 0.05 0.00 0.00 55.36 54.75 1mal s GLN 416 Cb -0.04 0.46 -0.05 0.00 1.10 0.00 0.00 33.01 34.48 1mal s GLN 416 CO -0.00 -0.42 -0.21 1.41 -0.55 0.00 0.00 175.29 175.51 1mal s MET 417 N -3.83 1.58 -0.11 1.67 -2.45 -0.82 0.08 119.30 115.42 1mal s MET 417 Ca 0.05 -1.65 -0.22 0.00 -1.25 0.00 0.00 55.69 52.62 1mal s MET 417 Cb 0.02 -1.76 0.05 0.00 1.25 0.00 0.00 34.83 34.39 1mal s MET 417 CO -0.10 0.35 0.54 -2.00 1.05 0.00 0.00 175.02 174.87 1mal s GLU 418 N -3.13 0.80 -0.29 4.11 2.12 -1.07 -3.02 118.70 118.21 1mal s GLU 418 Ca 0.25 0.38 -0.21 0.00 0.36 0.00 0.00 54.97 55.76 1mal s GLU 418 Cb -0.06 0.38 0.16 0.00 0.26 0.00 0.00 34.13 34.86 1mal s GLU 418 CO 0.12 -0.19 1.13 -1.50 -0.54 0.00 0.00 175.26 174.29 1mal s ILE 419 N -0.58 0.00 -0.04 -3.70 2.07 -0.65 -2.02 121.20 116.28 1mal s ILE 419 Ca -0.07 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.24 1mal s ILE 419 Cb -0.03 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.55 1mal s ILE 419 CO 0.05 0.00 -0.24 -1.66 -1.91 0.00 0.00 174.94 171.17 1mal s TRP 420 N 0.67 2.42 0.00 3.50 -2.14 -1.26 -1.73 118.94 120.41 1mal s TRP 420 Ca -0.02 -0.56 0.00 0.00 2.66 0.00 0.00 56.10 58.18 1mal s TRP 420 Cb -0.04 -1.57 0.00 0.00 -3.10 0.00 0.00 33.47 28.76 1mal s TRP 420 CO -0.12 -0.11 0.35 -2.67 -2.66 0.00 0.00 176.95 171.75