#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2poz s LYS 4 N 0.00 0.26 -0.06 3.23 2.20 -1.26 -4.32 119.74 119.78 2poz s LYS 4 Ca 0.00 -0.07 -0.28 0.00 -0.36 0.00 0.00 55.97 55.27 2poz s LYS 4 Cb 0.00 0.11 -0.03 0.00 -1.51 0.00 0.00 37.83 36.41 2poz s LYS 4 CO 0.00 -0.05 0.89 0.42 -0.36 0.00 0.00 175.35 176.25 2poz s ILE 5 N -0.49 4.90 -0.08 5.43 1.01 -0.42 -1.62 121.20 129.93 2poz s ILE 5 Ca -0.06 1.84 0.10 0.00 0.00 0.00 0.00 60.65 62.53 2poz s ILE 5 Cb -0.04 -4.22 -0.14 0.00 0.01 0.00 0.00 42.46 38.07 2poz s ILE 5 CO 0.00 0.13 0.09 0.35 0.00 0.00 0.00 174.94 175.52 2poz n THR 6 N 4.13 0.51 -3.48 2.92 -2.24 0.89 0.77 114.28 117.77 2poz n THR 6 Ca 0.04 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 2poz n THR 6 Cb 0.50 -0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 68.25 2poz n THR 6 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2poz s GLY 7 N -3.99 -0.55 -0.05 3.38 0.00 -1.12 -4.49 107.32 100.50 2poz s GLY 7 Ca -0.05 1.00 0.00 0.00 0.00 0.00 0.00 44.72 45.67 2poz s GLY 7 CO 0.43 0.55 -0.01 0.14 0.00 0.00 0.00 173.10 174.20 2poz s VAL 8 N -2.52 0.35 -0.09 1.40 1.01 0.59 0.23 120.40 121.37 2poz s VAL 8 Ca -0.03 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.00 2poz s VAL 8 Cb -0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 2poz s VAL 8 CO -0.03 0.20 -0.15 0.20 0.00 0.00 0.00 175.10 175.32 2poz s ASN 9 N 1.24 3.92 -0.10 3.32 0.02 -0.11 -0.51 114.94 122.72 2poz s ASN 9 Ca -0.06 -0.29 0.02 0.00 -1.02 0.00 0.00 52.86 51.50 2poz s ASN 9 Cb -0.13 -1.23 -0.01 0.00 0.02 0.00 0.00 41.25 39.89 2poz s ASN 9 CO -0.02 0.25 -0.16 -0.63 0.02 0.00 0.00 177.10 176.56 2poz s ILE 10 N -0.14 2.81 -0.13 0.60 1.01 -0.52 -0.71 121.20 124.12 2poz s ILE 10 Ca -0.01 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.89 2poz s ILE 10 Cb -0.14 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.20 2poz s ILE 10 CO 0.03 0.55 -0.21 -0.31 0.00 0.00 0.00 174.94 175.00 2poz s TYR 11 N 0.08 2.66 -0.63 3.97 2.02 -0.25 0.10 117.35 125.30 2poz s TYR 11 Ca -0.07 -1.15 -0.07 0.00 -0.37 0.00 0.00 57.07 55.41 2poz s TYR 11 Cb -0.15 -1.79 0.16 0.00 -0.40 0.00 0.00 41.96 39.78 2poz s TYR 11 CO 0.05 -0.50 0.48 -1.17 -1.57 0.00 0.00 175.55 172.84 2poz s LEU 12 N 0.62 5.71 0.69 -1.29 2.96 -0.43 -1.25 118.68 125.70 2poz s LEU 12 Ca -0.11 -2.55 -0.11 0.00 -0.22 0.00 0.00 54.13 51.14 2poz s LEU 12 Cb -0.16 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.56 2poz s LEU 12 CO 0.03 -0.50 1.06 -0.76 -1.32 0.00 0.00 176.35 174.85 2poz s LEU 13 N 0.39 3.04 -0.41 -0.68 1.02 0.46 -4.79 118.68 117.71 2poz s LEU 13 Ca 0.14 1.44 0.01 0.00 0.02 0.00 0.00 54.13 55.75 2poz s LEU 13 Cb -0.19 -4.31 0.13 0.00 0.02 0.00 0.00 46.19 41.83 2poz s LEU 13 CO -0.04 -1.35 0.20 -0.75 0.02 0.00 0.00 176.35 174.44 2poz s LYS 14 N -5.15 1.14 -0.46 1.70 2.20 -1.26 -3.71 119.74 114.21 2poz s LYS 14 Ca 0.58 -1.79 0.03 0.00 -0.36 0.00 0.00 55.97 54.43 2poz s LYS 14 Cb -0.13 -2.24 0.12 0.00 -1.51 0.00 0.00 37.83 34.07 2poz s LYS 14 CO 0.54 -1.12 0.20 0.45 -0.36 0.00 0.00 175.35 175.06 2poz s SER 15 N 0.65 4.27 1.68 1.43 0.15 -0.69 -4.71 113.70 116.48 2poz s SER 15 Ca 0.16 -2.70 0.00 0.00 0.70 0.00 0.00 55.95 54.11 2poz s SER 15 Cb -0.23 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.59 2poz s SER 15 CO -0.04 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2poz n GLY 16 N 3.51 2.79 0.00 9.45 0.00 -1.17 -1.90 105.19 117.87 2poz n GLY 16 Ca 0.05 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.92 2poz n GLY 16 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2poz n ARG 17 N 13.53 0.16 -3.87 1.61 1.85 -1.26 -4.85 116.66 123.82 2poz n ARG 17 Ca 0.00 0.08 -0.22 0.00 -1.00 0.00 0.00 57.85 56.71 2poz n ARG 17 Cb 0.00 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 29.86 2poz n ARG 17 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2poz s LEU 18 N -2.80 3.38 -0.48 2.89 1.43 -0.80 -4.96 118.68 117.34 2poz s LEU 18 Ca 0.17 -0.72 0.07 0.00 -1.03 0.00 0.00 54.13 52.61 2poz s LEU 18 Cb 0.15 -1.92 0.24 0.00 0.03 0.00 0.00 46.19 44.69 2poz s LEU 18 CO 0.39 -0.44 0.58 0.00 0.23 0.00 0.00 176.35 177.11 2poz n HIS 19 N -1.33 0.97 -1.73 0.29 1.44 0.62 -1.70 115.22 113.77 2poz n HIS 19 Ca -0.01 -3.75 -0.41 0.00 -2.01 0.00 0.00 57.72 51.54 2poz n HIS 19 Cb 0.61 -0.38 0.00 0.00 0.12 0.00 0.00 29.99 30.35 2poz n HIS 19 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 2poz n PRO 20 N 1.35 2.24 -4.08 -1.40 -0.02 -1.24 -4.32 135.00 127.52 2poz n PRO 20 Ca 0.24 0.79 -0.32 0.00 -2.02 0.00 0.00 63.50 62.19 2poz n PRO 20 Cb 0.48 -2.48 -0.15 0.00 -0.02 0.00 0.00 33.50 31.33 2poz n PRO 20 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2poz s VAL 21 N -1.15 2.13 0.31 -1.45 1.01 -1.26 -0.41 120.40 119.59 2poz s VAL 21 Ca 0.57 -1.44 0.09 0.00 0.00 0.00 0.00 61.98 61.20 2poz s VAL 21 Cb -0.51 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 2poz s VAL 21 CO 0.61 0.13 0.10 -0.76 0.00 0.00 0.00 175.10 175.17 2poz s LEU 22 N 1.16 3.26 0.02 3.92 1.43 -0.38 -1.31 118.68 126.78 2poz s LEU 22 Ca -0.05 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 2poz s LEU 22 Cb -0.18 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 2poz s LEU 22 CO -0.07 -0.19 -0.03 0.54 0.23 0.00 0.00 176.35 176.82 2poz s VAL 23 N -2.38 0.15 -0.10 -1.59 0.11 0.14 -1.10 120.40 115.63 2poz s VAL 23 Ca 0.35 -0.90 -0.03 0.00 -2.93 0.00 0.00 61.98 58.47 2poz s VAL 23 Cb -0.04 -0.29 0.04 0.00 -1.53 0.00 0.00 36.38 34.56 2poz s VAL 23 CO 0.22 -0.47 0.05 -0.70 -3.33 0.00 0.00 175.10 170.87 2poz s GLU 24 N -1.43 0.19 -0.17 1.54 2.12 0.11 -2.06 118.70 118.99 2poz s GLU 24 Ca -0.15 0.10 -0.10 0.00 0.36 0.00 0.00 54.97 55.18 2poz s GLU 24 Cb -0.10 -1.17 -0.05 0.00 0.26 0.00 0.00 34.13 33.08 2poz s GLU 24 CO -0.01 -0.46 0.17 0.42 -0.54 0.00 0.00 175.26 174.84 2poz s ILE 25 N 2.08 5.41 0.02 -3.70 1.01 -0.60 -0.93 121.20 124.49 2poz s ILE 25 Ca 0.03 0.27 0.05 0.00 0.00 0.00 0.00 60.65 61.00 2poz s ILE 25 Cb -0.14 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 2poz s ILE 25 CO -0.06 0.48 -0.10 -0.44 0.00 0.00 0.00 174.94 174.82 2poz s SER 26 N -0.00 4.35 0.21 3.58 0.01 0.14 -1.06 113.70 120.93 2poz s SER 26 Ca 0.11 -0.25 0.10 0.00 1.31 0.00 0.00 55.95 57.22 2poz s SER 26 Cb -0.12 -0.92 -0.04 0.00 0.21 0.00 0.00 66.02 65.15 2poz s SER 26 CO 0.01 0.27 -0.12 0.42 0.41 0.00 0.00 173.24 174.22 2poz s THR 27 N -0.99 2.97 -2.00 1.44 -4.23 -1.07 -0.08 115.64 111.68 2poz s THR 27 Ca 0.17 -1.86 0.05 0.00 -1.18 0.00 0.00 61.69 58.87 2poz s THR 27 Cb -0.11 -2.49 0.15 0.00 1.34 0.00 0.00 72.50 71.39 2poz s THR 27 CO 0.07 -0.19 0.76 -0.90 -0.54 0.00 0.00 174.62 173.83 2poz n ASP 28 N -0.14 0.00 -0.38 3.99 5.68 -0.64 -0.77 116.55 124.30 2poz n ASP 28 Ca -0.10 -0.20 0.06 0.00 -0.50 0.00 0.00 54.79 54.06 2poz n ASP 28 Cb 0.57 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.57 2poz n ASP 28 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2poz n GLU 29 N -0.96 1.43 0.00 0.11 -0.58 -1.26 -4.98 120.64 114.40 2poz n GLU 29 Ca 0.04 -0.93 0.00 0.00 -0.42 0.00 0.00 57.16 55.85 2poz n GLU 29 Cb 0.02 -1.19 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 2poz n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2poz n GLY 30 N 0.87 3.02 3.69 0.62 0.00 0.05 -5.02 105.19 108.42 2poz n GLY 30 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2poz n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2poz s ILE 31 N -2.46 3.12 0.30 -0.61 1.01 -1.26 -4.71 121.20 116.58 2poz s ILE 31 Ca 0.00 0.57 0.11 0.00 0.00 0.00 0.00 60.65 61.33 2poz s ILE 31 Cb 0.00 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.05 2poz s ILE 31 CO 0.00 -0.00 -0.14 0.42 0.00 0.00 0.00 174.94 175.22 2poz s THR 32 N 2.55 2.48 0.00 2.92 -4.23 -1.26 -2.61 115.64 115.50 2poz s THR 32 Ca 0.72 -2.28 0.05 0.00 -1.18 0.00 0.00 61.69 59.00 2poz s THR 32 Cb -0.39 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 70.96 2poz s THR 32 CO 0.31 -0.32 -0.17 -0.83 -0.54 0.00 0.00 174.62 173.08 2poz s GLY 33 N -3.57 0.84 0.01 3.99 0.00 -0.22 -4.47 107.32 103.90 2poz s GLY 33 Ca 0.31 -0.77 0.03 0.00 0.00 0.00 0.00 44.72 44.29 2poz s GLY 33 CO 0.16 -0.67 -0.04 0.00 0.00 0.00 0.00 173.10 172.55 2poz s ALA 34 N -0.52 3.12 0.04 3.20 0.00 -1.26 -1.56 121.76 124.78 2poz s ALA 34 Ca 0.06 -1.01 -0.22 0.00 0.00 0.00 0.00 51.96 50.79 2poz s ALA 34 Cb -0.07 -1.19 0.05 0.00 0.00 0.00 0.00 23.12 21.91 2poz s ALA 34 CO 0.00 0.63 0.50 0.20 0.00 0.00 0.00 175.76 177.10 2poz s GLY 35 N -1.55 -0.40 -0.05 0.00 0.00 -0.88 -3.13 107.32 101.32 2poz s GLY 35 Ca 0.19 0.59 0.02 0.00 0.00 0.00 0.00 44.72 45.51 2poz s GLY 35 CO 0.09 0.29 -0.08 1.85 0.00 0.00 0.00 173.10 175.26 2poz s GLU 36 N -2.32 1.14 -0.06 2.90 2.12 -1.26 -0.69 118.70 120.53 2poz s GLU 36 Ca -0.06 -0.25 -0.24 0.00 0.36 0.00 0.00 54.97 54.78 2poz s GLU 36 Cb -0.01 -1.03 -0.03 0.00 0.26 0.00 0.00 34.13 33.31 2poz s GLU 36 CO -0.01 -0.00 0.75 0.00 -0.54 0.00 0.00 175.26 175.45 2poz s ALA 37 N 0.67 3.32 -0.30 6.30 0.00 -0.43 -4.17 121.76 127.15 2poz s ALA 37 Ca -0.11 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.04 2poz s ALA 37 Cb -0.14 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2poz s ALA 37 CO 0.02 -0.14 0.36 0.41 0.00 0.00 0.00 175.76 176.40 2poz n GLY 38 N 3.09 0.77 2.85 0.00 0.00 0.59 -4.14 105.19 108.36 2poz n GLY 38 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2poz n GLY 38 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2poz n ILE 39 N 0.64 3.55 0.25 -0.61 2.08 -1.26 -4.62 119.36 119.38 2poz n ILE 39 Ca 0.00 -4.48 0.12 0.00 0.56 0.00 0.00 62.75 58.96 2poz n ILE 39 Cb 0.18 -1.26 0.22 0.00 -0.75 0.00 0.00 39.64 38.03 2poz n ILE 39 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2poz h ALA 40 N 3.00 1.00 -1.73 -1.39 0.00 -1.75 -3.38 119.26 115.01 2poz h ALA 40 Ca 0.53 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.86 2poz h ALA 40 Cb 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.82 2poz h ALA 40 CO 1.34 0.00 -0.49 1.52 0.00 0.00 0.00 179.25 181.62 2poz s TYR 41 N -3.23 1.78 0.00 0.00 -0.85 -1.26 -0.28 117.35 113.51 2poz s TYR 41 Ca 0.07 -1.40 0.00 0.00 -0.52 0.00 0.00 57.07 55.22 2poz s TYR 41 Cb 0.06 -1.09 0.00 0.00 0.38 0.00 0.00 41.96 41.30 2poz s TYR 41 CO 0.66 -0.43 0.00 0.41 -1.52 0.00 0.00 175.55 174.67 2poz n GLY 42 N -0.93 -1.06 3.21 5.49 0.00 -1.26 -4.70 105.19 105.94 2poz n GLY 42 Ca -0.05 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.40 2poz n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2poz s VAL 43 N 0.00 3.00 0.00 1.61 1.01 -1.26 -4.71 120.40 120.05 2poz s VAL 43 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.95 2poz s VAL 43 Cb 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.83 2poz s VAL 43 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.86 2poz n GLY 44 N 4.68 -0.39 0.19 4.51 0.00 -1.26 -5.03 105.19 107.88 2poz n GLY 44 Ca -0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 2poz n GLY 44 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2poz h GLY 45 N 0.00 0.61 1.03 -0.02 0.00 -1.84 0.22 103.07 103.06 2poz h GLY 45 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 2poz h GLY 45 CO 0.00 0.06 0.31 -0.84 0.00 0.00 0.00 176.54 176.07 2poz h THR 46 N 0.39 1.25 -0.58 4.70 2.02 -1.94 -1.68 112.91 117.07 2poz h THR 46 Ca 0.20 -0.75 0.04 0.00 0.77 0.00 0.00 66.41 66.67 2poz h THR 46 Cb 0.16 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 2poz h THR 46 CO -0.18 0.31 0.34 0.00 0.37 0.00 0.00 175.52 176.36 2poz h ALA 47 N 1.15 0.76 -0.55 6.16 0.00 -1.77 0.12 119.26 125.13 2poz h ALA 47 Ca 0.25 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.16 2poz h ALA 47 Cb 0.18 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2poz h ALA 47 CO -0.02 0.05 0.36 0.00 0.00 0.00 0.00 179.25 179.63 2poz h ALA 48 N 1.28 0.70 -0.65 0.00 0.00 -0.42 -2.23 119.26 117.94 2poz h ALA 48 Ca 0.24 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2poz h ALA 48 Cb 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2poz h ALA 48 CO -0.13 0.13 0.29 0.00 0.00 0.00 0.00 179.25 179.54 2poz h ALA 49 N 1.21 0.84 0.00 0.00 0.00 -0.63 -2.13 119.26 118.55 2poz h ALA 49 Ca 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2poz h ALA 49 Cb -0.08 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2poz h ALA 49 CO -0.05 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.04 2poz n GLY 50 N -0.90 0.13 0.31 0.00 0.00 0.35 -1.89 105.19 103.18 2poz n GLY 50 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2poz n GLY 50 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2poz n ILE 52 N 0.84 0.00 0.04 -0.61 5.41 -0.80 -1.71 119.36 122.52 2poz n ILE 52 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 2poz n ILE 52 Cb 0.03 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 38.88 2poz n ILE 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2poz h LYS 53 N 0.00 -0.03 -0.85 0.38 3.64 -1.65 0.44 116.57 118.50 2poz h LYS 53 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2poz h LYS 53 Cb 0.00 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 2poz h LYS 53 CO 0.00 0.12 0.52 -0.44 -2.27 0.00 0.00 179.45 177.38 2poz h ASP 54 N -0.18 1.01 -0.09 4.20 3.32 -1.60 -1.55 116.42 121.54 2poz h ASP 54 Ca -0.00 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 2poz h ASP 54 Cb 0.17 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 2poz h ASP 54 CO 0.01 0.77 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.18 2poz h LEU 55 N 1.16 0.18 -0.52 1.55 3.38 -1.80 -2.78 115.31 116.48 2poz h LEU 55 Ca 0.31 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.90 2poz h LEU 55 Cb -0.06 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2poz h LEU 55 CO -0.06 0.56 0.28 0.28 0.09 0.00 0.00 178.44 179.59 2poz h SER 56 N -0.19 0.43 0.91 -0.43 0.02 -0.77 0.38 113.55 113.91 2poz h SER 56 Ca 0.02 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2poz h SER 56 Cb 0.49 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2poz h SER 56 CO 0.01 0.30 0.00 -0.33 -1.14 0.00 0.00 176.83 175.67 2poz h GLU 57 N 0.56 0.00 0.00 3.45 5.08 -1.32 -1.91 114.58 120.44 2poz h GLU 57 Ca 0.22 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.42 2poz h GLU 57 Cb 0.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2poz h GLU 57 CO -0.13 0.00 -1.96 -2.13 -1.00 0.00 0.00 179.01 173.79 2poz n ARG 58 N -2.97 1.00 0.00 2.33 3.00 -0.76 -4.82 116.66 114.44 2poz n ARG 58 Ca 0.01 -0.08 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 2poz n ARG 58 Cb 0.28 -1.41 0.00 0.00 0.00 0.00 0.00 32.46 31.33 2poz n ARG 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2poz n PHE 59 N -2.37 0.00 -0.11 -0.14 3.72 0.13 -4.98 117.46 113.71 2poz n PHE 59 Ca -0.16 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.02 2poz n PHE 59 Cb 0.76 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.23 2poz n PHE 59 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2poz n LEU 60 N -0.83 1.70 -4.66 4.37 4.77 -0.72 -4.83 117.00 116.81 2poz n LEU 60 Ca 0.00 0.29 -0.58 0.00 -0.03 0.00 0.00 56.01 55.69 2poz n LEU 60 Cb 0.00 -0.70 -0.08 0.00 -2.33 0.00 0.00 43.42 40.32 2poz n LEU 60 CO 0.00 0.35 1.39 -0.38 -1.33 0.00 0.00 177.39 177.41 2poz n ILE 61 N -4.11 0.25 -0.16 -0.08 5.41 -1.20 -1.32 119.36 118.15 2poz n ILE 61 Ca -0.41 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.27 2poz n ILE 61 Cb 0.76 -1.16 0.00 0.00 -0.71 0.00 0.00 39.64 38.54 2poz n ILE 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2poz n GLY 62 N 4.64 1.26 3.92 7.39 0.00 0.23 -4.96 105.19 117.67 2poz n GLY 62 Ca 0.30 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.06 2poz n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2poz s LYS 63 N -0.50 3.49 -0.32 1.61 1.02 -0.43 -4.52 119.74 120.09 2poz s LYS 63 Ca 0.00 -0.01 -0.29 0.00 0.02 0.00 0.00 55.97 55.69 2poz s LYS 63 Cb 0.00 -2.48 0.01 0.00 -0.52 0.00 0.00 37.83 34.84 2poz s LYS 63 CO 0.00 -0.10 1.14 0.34 -0.92 0.00 0.00 175.35 175.81 2poz s ASP 64 N -4.09 6.85 0.40 2.83 2.15 -1.26 -1.29 116.67 122.25 2poz s ASP 64 Ca 0.45 1.07 0.29 0.00 0.43 0.00 0.00 52.55 54.78 2poz s ASP 64 Cb -0.10 -2.54 1.20 0.00 -0.30 0.00 0.00 42.92 41.18 2poz s ASP 64 CO 0.42 -0.95 1.85 1.55 -0.17 0.00 0.00 175.17 177.86 2poz h PRO 65 N 8.46 0.00 0.00 4.34 0.13 -1.93 -3.14 132.00 139.86 2poz h PRO 65 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2poz h PRO 65 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2poz h PRO 65 CO 1.04 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.47 2poz h SER 66 N 0.00 0.00 -1.38 1.44 4.64 -1.91 -3.31 113.55 113.03 2poz h SER 66 Ca 0.00 0.00 -0.75 0.00 -0.47 0.00 0.00 61.79 60.57 2poz h SER 66 Cb 0.40 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.34 2poz h SER 66 CO 0.00 0.00 2.11 0.54 -0.87 0.00 0.00 176.83 178.61 2poz n ARG 67 N -2.68 4.13 -0.01 4.77 1.74 -1.19 -4.79 116.66 118.64 2poz n ARG 67 Ca 0.01 -3.58 -0.11 0.00 -0.77 0.00 0.00 57.85 53.40 2poz n ARG 67 Cb 0.24 -2.76 -0.06 0.00 -1.02 0.00 0.00 32.46 28.85 2poz n ARG 67 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2poz h ILE 68 N 3.19 1.10 -0.30 0.55 2.04 -1.87 -1.63 117.51 120.59 2poz h ILE 68 Ca 0.52 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 66.14 2poz h ILE 68 Cb 0.48 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 2poz h ILE 68 CO 1.54 0.09 0.06 -0.33 0.00 0.00 0.00 178.15 179.51 2poz h GLU 69 N 0.03 0.17 -0.73 2.37 4.39 -1.95 -0.34 114.58 118.53 2poz h GLU 69 Ca 0.03 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.73 2poz h GLU 69 Cb 0.10 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 2poz h GLU 69 CO -0.00 0.11 0.48 1.49 -1.16 0.00 0.00 179.01 179.92 2poz h GLU 70 N 0.18 0.96 -0.41 2.33 4.81 -1.93 0.06 114.58 120.57 2poz h GLU 70 Ca 0.14 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2poz h GLU 70 Cb 0.15 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 2poz h GLU 70 CO -0.18 0.64 0.14 -0.07 -0.73 0.00 0.00 179.01 178.81 2poz h LEU 71 N 0.99 0.60 -0.14 1.64 4.07 -0.82 0.11 115.31 121.75 2poz h LEU 71 Ca 0.27 -0.20 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 2poz h LEU 71 Cb -0.10 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.47 2poz h LEU 71 CO -0.06 0.63 0.08 -0.25 -1.08 0.00 0.00 178.44 177.77 2poz h TRP 72 N 0.53 0.19 -0.94 1.13 7.01 -0.79 -2.77 115.95 120.31 2poz h TRP 72 Ca 0.13 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.16 2poz h TRP 72 Cb 0.24 -0.06 -0.05 0.00 -2.10 0.00 0.00 29.16 27.19 2poz h TRP 72 CO 0.01 0.18 0.62 1.03 -2.79 0.00 0.00 178.44 177.49 2poz h SER 73 N 0.15 1.05 0.00 2.65 0.87 -0.77 -1.26 113.55 116.23 2poz h SER 73 Ca 0.05 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2poz h SER 73 Cb 0.05 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 2poz h SER 73 CO -0.01 0.74 0.00 0.41 -0.53 0.00 0.00 176.83 177.44 2poz n THR 74 N -4.42 0.07 0.00 2.23 -1.04 0.37 -1.01 114.28 110.49 2poz n THR 74 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 2poz n THR 74 Cb 0.06 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.30 2poz n THR 74 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2poz n TYR 76 N 0.48 0.00 0.14 -1.42 9.36 -0.48 -1.18 117.16 124.06 2poz n TYR 76 Ca 0.00 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.23 2poz n TYR 76 Cb 0.09 0.00 0.33 0.00 -0.63 0.00 0.00 39.34 39.13 2poz n TYR 76 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 2poz h ASP 77 N 0.00 0.14 0.00 2.98 3.32 -1.33 -3.36 116.42 118.17 2poz h ASP 77 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2poz h ASP 77 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2poz h ASP 77 CO 0.00 0.45 -0.01 1.41 -1.72 0.00 0.00 179.24 179.37 2poz n HIS 78 N -4.14 0.00 0.52 4.55 8.25 -0.33 -4.48 115.22 119.59 2poz n HIS 78 Ca -0.01 -0.72 0.11 0.00 -0.26 0.00 0.00 57.72 56.83 2poz n HIS 78 Cb 0.38 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.40 2poz n HIS 78 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2poz n SER 79 N -0.93 0.60 0.00 0.41 3.41 -1.26 -4.96 113.62 110.88 2poz n SER 79 Ca 0.08 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 2poz n SER 79 Cb 0.45 0.86 0.00 0.00 -0.26 0.00 0.00 64.21 65.26 2poz n SER 79 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2poz n PHE 80 N -2.01 0.00 1.50 7.33 7.35 -1.26 -4.58 117.46 125.79 2poz n PHE 80 Ca 0.01 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.83 2poz n PHE 80 Cb 0.45 0.00 0.73 0.00 0.35 0.00 0.00 39.48 41.01 2poz n PHE 80 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 2poz n TRP 81 N 0.00 0.00 0.07 -5.13 7.02 -1.26 -3.36 117.44 114.78 2poz n TRP 81 Ca 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.38 2poz n TRP 81 Cb 0.00 -0.09 -0.00 0.00 -2.42 0.00 0.00 31.31 28.80 2poz n TRP 81 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2poz h ALA 82 N 3.50 0.51 -2.05 6.99 0.00 -1.81 -3.27 119.26 123.14 2poz h ALA 82 Ca 0.00 -0.67 -0.57 0.00 0.00 0.00 0.00 54.91 53.67 2poz h ALA 82 Cb 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2poz h ALA 82 CO 0.00 0.83 1.23 0.15 0.00 0.00 0.00 179.25 181.46 2poz s LYS 83 N -3.38 3.66 -1.45 0.00 1.02 -1.21 0.16 119.74 118.53 2poz s LYS 83 Ca -0.05 1.83 0.00 0.00 0.02 0.00 0.00 55.97 57.77 2poz s LYS 83 Cb 0.10 -4.14 0.00 0.00 -0.52 0.00 0.00 37.83 33.27 2poz s LYS 83 CO 0.84 -1.47 0.00 -1.71 -0.92 0.00 0.00 175.35 172.09 2poz n ASN 84 N 9.14 -4.95 -4.75 2.83 5.15 -1.26 -4.97 115.26 116.46 2poz n ASN 84 Ca 0.21 0.01 -0.30 0.00 -0.60 0.00 0.00 54.58 53.91 2poz n ASN 84 Cb 0.45 -4.04 0.11 0.00 -0.53 0.00 0.00 39.78 35.77 2poz n ASN 84 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2poz s GLY 85 N -2.28 1.64 0.00 8.20 0.00 0.12 -5.08 107.32 109.91 2poz s GLY 85 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.73 2poz s GLY 85 CO 0.00 0.44 0.00 0.61 0.00 0.00 0.00 173.10 174.15 2poz n GLY 86 N -1.33 4.17 0.30 0.20 0.00 -1.26 -4.91 105.19 102.36 2poz n GLY 86 Ca 0.08 -2.07 0.04 0.00 0.00 0.00 0.00 46.02 44.06 2poz n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2poz h ALA 87 N 0.12 1.15 0.28 4.61 0.00 -1.95 -2.29 119.26 121.18 2poz h ALA 87 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2poz h ALA 87 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2poz h ALA 87 CO 0.00 0.02 -0.13 0.82 0.00 0.00 0.00 179.25 179.95 2poz h ILE 88 N 0.70 0.76 -0.54 0.00 1.08 -1.96 0.28 117.51 117.84 2poz h ILE 88 Ca 0.40 -0.47 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 2poz h ILE 88 Cb 0.43 1.02 -0.03 0.00 -3.07 0.00 0.00 36.82 35.17 2poz h ILE 88 CO -0.28 0.10 0.30 -0.29 -0.69 0.00 0.00 178.15 177.29 2poz h ILE 89 N -0.63 1.18 0.00 -0.67 6.09 -1.92 -2.20 117.51 119.37 2poz h ILE 89 Ca -0.04 -0.45 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 2poz h ILE 89 Cb 0.45 0.49 0.00 0.00 0.47 0.00 0.00 36.82 38.23 2poz h ILE 89 CO 0.06 0.19 0.00 -0.26 -3.07 0.00 0.00 178.15 175.07 2poz h PHE 90 N 0.72 0.00 -0.19 2.19 -1.00 -1.42 -2.28 116.94 114.97 2poz h PHE 90 Ca 0.19 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.77 2poz h PHE 90 Cb 0.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.60 2poz h PHE 90 CO -0.02 0.00 -0.68 0.00 -1.61 0.00 0.00 178.31 176.00 2poz h ALA 91 N 2.00 0.44 -0.44 2.45 0.00 -0.18 -0.30 119.26 123.24 2poz h ALA 91 Ca 0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 2poz h ALA 91 Cb 0.90 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2poz h ALA 91 CO 0.00 0.69 0.04 0.78 0.00 0.00 0.00 179.25 180.77 2poz h GLY 92 N 0.76 0.81 1.24 0.00 0.00 -1.29 -2.19 103.07 102.39 2poz h GLY 92 Ca -0.02 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.65 2poz h GLY 92 CO 0.14 0.52 -0.04 -2.22 0.00 0.00 0.00 176.54 174.94 2poz h ILE 93 N 0.60 1.26 -0.11 2.60 2.04 -1.34 -2.71 117.51 119.85 2poz h ILE 93 Ca 0.13 -1.13 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 2poz h ILE 93 Cb 0.43 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 2poz h ILE 93 CO 0.01 0.40 0.06 0.28 0.00 0.00 0.00 178.15 178.91 2poz h SER 94 N 0.83 0.13 -0.17 1.72 0.02 -0.87 0.53 113.55 115.74 2poz h SER 94 Ca 0.15 -0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.08 2poz h SER 94 Cb 0.55 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.00 2poz h SER 94 CO 0.03 0.16 -0.19 0.00 -1.14 0.00 0.00 176.83 175.70 2poz h ALA 95 N 0.97 -0.09 -0.42 3.77 0.00 -1.33 0.23 119.26 122.39 2poz h ALA 95 Ca 0.04 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2poz h ALA 95 Cb 0.06 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2poz h ALA 95 CO -0.01 -0.63 0.22 0.82 0.00 0.00 0.00 179.25 179.66 2poz h ILE 96 N -0.22 0.99 -0.81 0.00 2.04 -1.29 -2.20 117.51 116.02 2poz h ILE 96 Ca 0.11 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 2poz h ILE 96 Cb 0.38 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 2poz h ILE 96 CO -0.30 0.08 0.36 -0.08 0.00 0.00 0.00 178.15 178.21 2poz h GLU 97 N 0.45 1.19 -0.69 2.37 4.22 -0.22 -1.58 114.58 120.32 2poz h GLU 97 Ca 0.18 -0.20 0.04 0.00 0.08 0.00 0.00 59.36 59.46 2poz h GLU 97 Cb 0.07 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 2poz h GLU 97 CO -0.11 0.94 0.42 1.96 -2.18 0.00 0.00 179.01 180.04 2poz h GLN 98 N 1.17 0.78 -0.51 1.92 4.20 -0.17 -1.81 115.11 120.69 2poz h GLN 98 Ca 0.28 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.87 2poz h GLN 98 Cb 0.17 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 2poz h GLN 98 CO -0.03 0.52 0.04 0.00 -0.67 0.00 0.00 178.83 178.69 2poz h ALA 99 N 1.32 1.11 -0.66 3.87 0.00 -0.92 -1.94 119.26 122.03 2poz h ALA 99 Ca 0.29 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2poz h ALA 99 Cb 0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2poz h ALA 99 CO -0.13 0.58 0.18 -0.07 0.00 0.00 0.00 179.25 179.80 2poz h LEU 100 N 0.79 0.96 -0.60 0.00 3.38 -0.49 -1.41 115.31 117.94 2poz h LEU 100 Ca 0.16 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 2poz h LEU 100 Cb 0.41 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2poz h LEU 100 CO 0.01 0.91 -0.61 -0.50 0.09 0.00 0.00 178.44 178.34 2poz h TRP 101 N 0.98 0.41 -0.03 1.13 4.06 -1.17 -1.94 115.95 119.40 2poz h TRP 101 Ca 0.21 -0.16 0.01 0.00 2.06 0.00 0.00 58.89 61.02 2poz h TRP 101 Cb 0.31 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.39 2poz h TRP 101 CO 0.02 0.85 -0.05 0.22 -3.56 0.00 0.00 178.44 175.92 2poz h ASP 102 N 0.24 -0.16 -0.22 -3.49 3.58 -0.91 0.11 116.42 115.58 2poz h ASP 102 Ca -0.01 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2poz h ASP 102 Cb 1.13 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 2poz h ASP 102 CO 0.10 -0.08 0.14 0.40 -2.88 0.00 0.00 179.24 176.92 2poz h ILE 103 N -0.08 1.04 -0.87 2.25 2.04 -1.13 -1.25 117.51 119.52 2poz h ILE 103 Ca 0.03 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2poz h ILE 103 Cb 0.12 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 2poz h ILE 103 CO -0.07 0.05 0.49 0.50 0.00 0.00 0.00 178.15 179.11 2poz h LYS 104 N 0.29 1.21 -0.64 2.37 3.64 -1.08 0.01 116.57 122.36 2poz h LYS 104 Ca 0.08 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 2poz h LYS 104 Cb -0.02 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.53 2poz h LYS 104 CO -0.03 0.88 0.10 0.78 -2.27 0.00 0.00 179.45 178.91 2poz h GLY 105 N 1.21 1.15 1.28 5.01 0.00 -0.52 -1.99 103.07 109.21 2poz h GLY 105 Ca 0.31 -0.77 -0.11 0.00 0.00 0.00 0.00 47.33 46.76 2poz h GLY 105 CO -0.05 0.71 -0.16 0.50 0.00 0.00 0.00 176.54 177.54 2poz h LYS 106 N 0.98 0.84 -0.02 4.80 1.57 -0.81 0.24 116.57 124.17 2poz h LYS 106 Ca 0.19 -0.31 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 2poz h LYS 106 Cb 0.44 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2poz h LYS 106 CO 0.01 0.94 -0.22 0.00 -0.57 0.00 0.00 179.45 179.61 2poz n LEU 108 N -4.26 2.91 -3.13 0.00 4.77 -0.77 -5.00 117.00 111.51 2poz n LEU 108 Ca -0.02 -1.19 -0.23 0.00 -0.03 0.00 0.00 56.01 54.54 2poz n LEU 108 Cb 0.29 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.34 2poz n LEU 108 CO 0.37 0.55 0.07 0.61 -1.33 0.00 0.00 177.39 177.66 2poz n GLY 109 N 1.20 -0.51 3.21 -0.72 0.00 0.71 -5.01 105.19 104.07 2poz n GLY 109 Ca 0.14 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 2poz n GLY 109 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2poz s VAL 110 N -3.22 0.11 0.66 1.61 -7.23 -0.44 -4.81 120.40 107.08 2poz s VAL 110 Ca 0.38 -0.93 -0.17 0.00 -1.81 0.00 0.00 61.98 59.44 2poz s VAL 110 Cb -0.17 -1.07 -0.00 0.00 0.56 0.00 0.00 36.38 35.70 2poz s VAL 110 CO 0.47 -0.51 1.25 -2.84 -0.31 0.00 0.00 175.10 173.16 2poz s PRO 111 N -3.06 2.52 0.34 4.82 0.02 -1.24 -1.30 135.00 137.10 2poz s PRO 111 Ca -0.01 1.94 0.04 0.00 0.02 0.00 0.00 61.00 62.98 2poz s PRO 111 Cb 0.01 -1.86 0.67 0.00 0.02 0.00 0.00 34.50 33.34 2poz s PRO 111 CO -0.07 -1.59 1.95 0.28 -0.33 0.00 0.00 177.00 177.25 2poz h VAL 112 N 0.39 1.05 0.00 3.83 2.07 -1.58 -0.83 116.25 121.17 2poz h VAL 112 Ca -0.50 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2poz h VAL 112 Cb 1.32 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2poz h VAL 112 CO 0.53 0.15 0.04 0.10 0.02 0.00 0.00 177.57 178.41 2poz h TYR 113 N 0.84 0.00 0.10 1.57 -0.00 -1.86 0.23 116.97 117.86 2poz h TYR 113 Ca 0.33 0.00 -0.26 0.00 0.00 0.00 0.00 58.73 58.80 2poz h TYR 113 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.94 2poz h TYR 113 CO -0.00 0.00 -1.18 0.93 -0.00 0.00 0.00 178.16 177.91 2poz h GLU 114 N 0.00 0.23 -0.17 0.10 4.39 -1.43 0.31 114.58 118.01 2poz h GLU 114 Ca 0.00 -0.38 -0.13 0.00 0.34 0.00 0.00 59.36 59.20 2poz h GLU 114 Cb 0.09 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2poz h GLU 114 CO 0.00 1.17 -0.44 -0.07 -1.16 0.00 0.00 179.01 178.51 2poz h LEU 115 N 0.07 0.45 0.00 1.33 3.38 -0.61 -2.76 115.31 117.17 2poz h LEU 115 Ca -0.11 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2poz h LEU 115 Cb 1.91 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.53 2poz h LEU 115 CO 0.19 0.84 0.00 0.49 0.09 0.00 0.00 178.44 180.05 2poz n PHE 116 N -4.00 0.00 0.00 1.13 3.72 -0.63 -4.81 117.46 112.86 2poz n PHE 116 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2poz n PHE 116 Cb 0.52 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 2poz n PHE 116 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2poz n GLY 117 N 0.66 1.74 0.00 1.37 0.00 -1.05 -5.06 105.19 102.85 2poz n GLY 117 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2poz n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2poz n GLY 118 N -0.19 -0.60 3.93 -0.02 0.00 0.09 -4.99 105.19 103.41 2poz n GLY 118 Ca 0.00 -1.72 -0.25 0.00 0.00 0.00 0.00 46.02 44.05 2poz n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2poz s LYS 119 N -1.77 3.51 -0.00 1.61 -2.85 -1.26 -4.51 119.74 114.47 2poz s LYS 119 Ca 0.00 -0.19 0.02 0.00 -1.00 0.00 0.00 55.97 54.80 2poz s LYS 119 Cb 0.00 -2.60 -0.03 0.00 -2.06 0.00 0.00 37.83 33.15 2poz s LYS 119 CO 0.00 0.08 0.03 -0.89 0.10 0.00 0.00 175.35 174.67 2poz n ILE 120 N -1.80 0.02 -3.90 3.79 5.41 0.72 -4.98 119.36 118.61 2poz n ILE 120 Ca -0.03 -0.04 -0.09 0.00 1.00 0.00 0.00 62.75 63.58 2poz n ILE 120 Cb 0.56 0.25 -0.08 0.00 -0.71 0.00 0.00 39.64 39.65 2poz n ILE 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2poz s ARG 121 N -2.11 0.73 -0.00 0.38 1.70 -1.24 -5.05 118.95 113.36 2poz s ARG 121 Ca -0.01 -0.88 0.15 0.00 -0.47 0.00 0.00 55.73 54.52 2poz s ARG 121 Cb 0.01 0.29 -0.18 0.00 -0.57 0.00 0.00 34.95 34.51 2poz s ARG 121 CO 0.07 -0.21 0.56 -0.25 -1.08 0.00 0.00 175.30 174.39 2poz n ASP 122 N 0.28 0.87 -3.73 -2.89 8.00 -1.26 -4.81 116.55 113.01 2poz n ASP 122 Ca -0.16 -0.67 -0.12 0.00 0.71 0.00 0.00 54.79 54.55 2poz n ASP 122 Cb 0.61 1.15 -0.07 0.00 -0.02 0.00 0.00 41.12 42.79 2poz n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2poz s ARG 123 N -2.53 0.85 -0.01 -1.24 1.70 -1.26 -4.41 118.95 112.05 2poz s ARG 123 Ca 0.03 -0.50 0.02 0.00 -0.47 0.00 0.00 55.73 54.82 2poz s ARG 123 Cb 0.11 0.37 -0.00 0.00 -0.57 0.00 0.00 34.95 34.85 2poz s ARG 123 CO 0.61 -0.28 -0.07 0.14 -1.08 0.00 0.00 175.30 174.62 2poz s VAL 124 N -2.64 0.54 0.49 4.99 -7.23 -0.48 -4.94 120.40 111.14 2poz s VAL 124 Ca -0.04 -0.29 -0.16 0.00 -1.81 0.00 0.00 61.98 59.68 2poz s VAL 124 Cb -0.01 -0.46 -0.08 0.00 0.56 0.00 0.00 36.38 36.40 2poz s VAL 124 CO -0.04 0.16 0.95 -0.60 -0.31 0.00 0.00 175.10 175.26 2poz s ARG 125 N -0.14 3.95 0.14 4.82 3.52 -1.26 -0.88 118.95 129.09 2poz s ARG 125 Ca 0.02 0.90 0.03 0.00 -0.13 0.00 0.00 55.73 56.55 2poz s ARG 125 Cb -0.03 -2.18 -0.04 0.00 -1.56 0.00 0.00 34.95 31.14 2poz s ARG 125 CO -0.00 -0.22 -0.07 0.00 -0.81 0.00 0.00 175.30 174.20 2poz s ALA 126 N -2.55 1.28 0.16 6.12 0.00 -0.78 -1.62 121.76 124.37 2poz s ALA 126 Ca 0.58 -1.47 0.06 0.00 0.00 0.00 0.00 51.96 51.13 2poz s ALA 126 Cb -0.10 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2poz s ALA 126 CO 0.30 -0.19 0.05 1.52 0.00 0.00 0.00 175.76 177.44 2poz s TYR 127 N -3.49 2.98 0.02 0.00 -0.85 0.49 -4.45 117.35 112.04 2poz s TYR 127 Ca 0.16 -0.07 -0.18 0.00 -0.52 0.00 0.00 57.07 56.46 2poz s TYR 127 Cb 0.04 -1.45 -0.06 0.00 0.38 0.00 0.00 41.96 40.87 2poz s TYR 127 CO -0.01 0.51 0.52 0.00 -1.52 0.00 0.00 175.55 175.05 2poz s ALA 128 N -1.67 3.59 0.04 9.51 0.00 -0.04 -2.72 121.76 130.46 2poz s ALA 128 Ca 0.28 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.21 2poz s ALA 128 Cb -0.10 -2.58 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 2poz s ALA 128 CO 0.20 0.34 -0.09 1.21 0.00 0.00 0.00 175.76 177.43 2poz s ASN 129 N -0.77 0.96 0.00 0.00 3.84 -0.83 -1.07 114.94 117.07 2poz s ASN 129 Ca 0.27 -0.49 0.00 0.00 0.21 0.00 0.00 52.86 52.85 2poz s ASN 129 Cb -0.18 0.01 0.00 0.00 -0.55 0.00 0.00 41.25 40.53 2poz s ASN 129 CO 0.16 -0.14 0.00 0.61 -2.79 0.00 0.00 177.10 174.94 2poz n GLY 130 N 1.66 0.54 0.01 1.21 0.00 -1.26 -4.23 105.19 103.13 2poz n GLY 130 Ca -0.21 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.95 2poz n GLY 130 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2poz n TRP 131 N -2.79 0.11 0.22 1.61 4.27 -1.26 -3.08 117.44 116.51 2poz n TRP 131 Ca 0.00 0.03 0.12 0.00 -3.89 0.00 0.00 57.50 53.76 2poz n TRP 131 Cb 0.02 -0.55 0.18 0.00 -1.36 0.00 0.00 31.31 29.60 2poz n TRP 131 CO 0.00 0.00 0.00 0.10 -2.29 0.00 0.00 177.69 175.50 2poz h TYR 132 N 0.00 0.00 0.00 -2.67 -0.00 -1.90 -3.46 116.97 108.94 2poz h TYR 132 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2poz h TYR 132 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.25 2poz h TYR 132 CO 0.00 0.01 0.00 0.41 -0.00 0.00 0.00 178.16 178.58 2poz n GLY 133 N 1.08 3.59 1.96 0.10 0.00 -1.18 -0.98 105.19 109.77 2poz n GLY 133 Ca 0.04 0.10 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 2poz n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2poz n ALA 134 N 11.55 4.59 -1.66 4.61 0.00 -1.26 -5.01 120.51 133.33 2poz n ALA 134 Ca 0.00 -2.41 -0.39 0.00 0.00 0.00 0.00 53.44 50.65 2poz n ALA 134 Cb 0.00 -1.23 0.04 0.00 0.00 0.00 0.00 19.45 18.27 2poz n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2poz n ALA 135 N -0.25 0.67 0.06 0.00 0.00 -0.15 -4.93 120.51 115.91 2poz n ALA 135 Ca 0.41 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2poz n ALA 135 Cb 1.38 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2poz n ALA 135 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2poz n ASP 136 N -0.68 -0.05 -4.87 0.00 2.03 -1.26 -4.97 116.55 106.75 2poz n ASP 136 Ca 0.12 0.20 -0.31 0.00 0.52 0.00 0.00 54.79 55.32 2poz n ASP 136 Cb 0.45 0.16 0.01 0.00 -0.72 0.00 0.00 41.12 41.02 2poz n ASP 136 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2poz s THR 137 N -2.00 4.63 0.25 5.18 -4.23 -1.26 -4.91 115.64 113.30 2poz s THR 137 Ca 0.00 0.80 -0.05 0.00 -1.18 0.00 0.00 61.69 61.26 2poz s THR 137 Cb 0.00 -3.84 0.23 0.00 1.34 0.00 0.00 72.50 70.23 2poz s THR 137 CO 0.00 -1.09 1.86 -0.65 -0.54 0.00 0.00 174.62 174.20 2poz h PRO 138 N -0.30 0.98 -0.55 3.99 0.11 -1.91 -1.94 132.00 132.38 2poz h PRO 138 Ca -0.44 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.61 2poz h PRO 138 Cb 1.20 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 2poz h PRO 138 CO 0.62 0.65 0.37 0.22 -0.21 0.00 0.00 178.00 179.65 2poz h ASP 139 N 1.01 0.63 -0.65 -2.05 3.58 -1.93 -0.05 116.42 116.95 2poz h ASP 139 Ca 0.39 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.79 2poz h ASP 139 Cb 0.17 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 2poz h ASP 139 CO -0.17 0.46 0.31 -0.33 -2.88 0.00 0.00 179.24 176.62 2poz h GLU 140 N 0.75 0.97 -0.42 0.28 5.08 -1.76 0.29 114.58 119.77 2poz h GLU 140 Ca 0.20 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2poz h GLU 140 Cb -0.08 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 2poz h GLU 140 CO -0.05 0.76 -0.06 0.74 -1.00 0.00 0.00 179.01 179.41 2poz h PHE 141 N 0.96 0.87 0.14 4.33 0.04 -0.87 -1.39 116.94 121.03 2poz h PHE 141 Ca 0.23 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.84 2poz h PHE 141 Cb 0.13 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 2poz h PHE 141 CO 0.01 0.88 -0.15 0.00 -0.60 0.00 0.00 178.31 178.45 2poz h ALA 142 N 0.87 -0.29 -0.86 2.45 0.00 -0.26 -2.17 119.26 119.00 2poz h ALA 142 Ca 0.11 -0.04 0.19 0.00 0.00 0.00 0.00 54.91 55.17 2poz h ALA 142 Cb 0.57 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 18.47 2poz h ALA 142 CO 0.03 -0.69 0.40 0.00 0.00 0.00 0.00 179.25 178.99 2poz h ARG 143 N -0.33 0.46 0.00 0.00 2.47 -0.29 -2.30 114.38 114.40 2poz h ARG 143 Ca 0.01 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 2poz h ARG 143 Cb 0.31 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.53 2poz h ARG 143 CO -0.04 0.31 -0.05 0.00 0.56 0.00 0.00 179.97 180.74 2poz h ALA 144 N 1.64 1.21 0.00 0.04 0.00 -0.58 -3.17 119.26 118.40 2poz h ALA 144 Ca 0.51 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.31 2poz h ALA 144 Cb 0.87 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2poz h ALA 144 CO -0.46 0.06 -0.31 -0.39 0.00 0.00 0.00 179.25 178.15 2poz h VAL 145 N 0.00 1.02 -0.17 0.00 -1.51 -1.30 -3.33 116.25 110.96 2poz h VAL 145 Ca -0.00 -1.14 0.02 0.00 -1.23 0.00 0.00 66.70 64.35 2poz h VAL 145 Cb 0.21 1.65 -0.04 0.00 -2.13 0.00 0.00 31.29 30.99 2poz h VAL 145 CO 0.01 0.30 -0.28 -0.33 -1.23 0.00 0.00 177.57 176.04 2poz h GLU 146 N 0.00 -0.22 -0.35 5.19 5.08 -1.73 -2.55 114.58 120.00 2poz h GLU 146 Ca -0.00 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2poz h GLU 146 Cb 0.63 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.86 2poz h GLU 146 CO 0.04 -0.14 -0.47 -0.09 -1.00 0.00 0.00 179.01 177.34 2poz h ARG 147 N -0.22 -0.32 -0.97 2.33 2.43 -1.83 0.78 114.38 116.57 2poz h ARG 147 Ca 0.03 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.30 2poz h ARG 147 Cb 0.31 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.86 2poz h ARG 147 CO -0.28 -0.22 0.62 -1.00 -1.51 0.00 0.00 179.97 177.59 2poz h PRO 148 N -0.34 1.07 -0.32 0.20 0.13 -1.75 -0.33 132.00 130.67 2poz h PRO 148 Ca 0.06 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 65.03 2poz h PRO 148 Cb 0.50 -0.24 -0.02 0.00 0.13 0.00 0.00 31.00 31.38 2poz h PRO 148 CO -0.51 0.71 -0.19 -0.07 -0.23 0.00 0.00 178.00 177.71 2poz h LEU 149 N 1.10 0.58 -0.59 1.56 3.38 -0.98 -2.19 115.31 118.17 2poz h LEU 149 Ca 0.43 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 2poz h LEU 149 Cb 0.21 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2poz h LEU 149 CO -0.19 0.78 0.18 0.11 0.09 0.00 0.00 178.44 179.41 2poz h LYS 150 N 0.52 0.93 0.00 1.13 1.57 0.10 -2.13 116.57 118.68 2poz h LYS 150 Ca 0.08 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2poz h LYS 150 Cb 0.63 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2poz h LYS 150 CO 0.04 0.83 0.00 0.39 -0.57 0.00 0.00 179.45 180.15 2poz n GLU 151 N -4.40 0.23 -0.47 3.15 1.02 -0.23 -4.83 120.64 115.11 2poz n GLU 151 Ca 0.03 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2poz n GLU 151 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 2poz n GLU 151 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2poz n GLY 152 N -0.52 0.76 3.75 0.62 0.00 -0.80 -4.04 105.19 104.96 2poz n GLY 152 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2poz n GLY 152 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2poz s TYR 153 N -2.07 3.69 -1.87 1.61 2.02 -0.93 -3.50 117.35 116.30 2poz s TYR 153 Ca 0.00 1.75 0.19 0.00 -0.37 0.00 0.00 57.07 58.63 2poz s TYR 153 Cb 0.00 -3.20 0.03 0.00 -0.40 0.00 0.00 41.96 38.39 2poz s TYR 153 CO 0.00 -0.28 0.98 0.41 -1.57 0.00 0.00 175.55 175.10 2poz n GLY 154 N 1.41 0.12 3.18 0.71 0.00 -1.26 -4.57 105.19 104.78 2poz n GLY 154 Ca -0.01 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 2poz n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2poz s ALA 155 N -2.00 -0.68 0.07 4.61 0.00 -1.26 -1.77 121.76 120.74 2poz s ALA 155 Ca 0.17 0.56 0.07 0.00 0.00 0.00 0.00 51.96 52.76 2poz s ALA 155 Cb 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 2poz s ALA 155 CO 0.41 -0.18 -0.19 -0.51 0.00 0.00 0.00 175.76 175.30 2poz s LEU 156 N -0.43 2.24 -0.04 0.00 1.43 0.66 -0.86 118.68 121.68 2poz s LEU 156 Ca -0.05 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.47 2poz s LEU 156 Cb -0.04 -0.83 0.01 0.00 0.03 0.00 0.00 46.19 45.36 2poz s LEU 156 CO 0.02 0.07 -0.10 -0.75 0.23 0.00 0.00 176.35 175.81 2poz s LYS 157 N -1.57 1.24 0.30 1.70 2.20 -0.23 -4.26 119.74 119.12 2poz s LYS 157 Ca 0.05 -0.33 -0.01 0.00 -0.36 0.00 0.00 55.97 55.31 2poz s LYS 157 Cb -0.09 -1.10 -0.01 0.00 -1.51 0.00 0.00 37.83 35.11 2poz s LYS 157 CO 0.03 0.07 0.37 -0.59 -0.36 0.00 0.00 175.35 174.87 2poz s PHE 158 N 0.44 1.14 -0.61 4.03 -0.00 -1.26 -4.31 117.98 117.41 2poz s PHE 158 Ca -0.08 -1.32 0.04 0.00 -0.00 0.00 0.00 56.93 55.58 2poz s PHE 158 Cb -0.12 -0.27 0.15 0.00 -0.00 0.00 0.00 43.02 42.78 2poz s PHE 158 CO 0.02 -0.97 0.39 0.71 -0.00 0.00 0.00 175.22 175.37 2poz s TYR 159 N -3.46 3.20 0.62 3.49 1.51 -1.26 -1.27 117.35 120.19 2poz s TYR 159 Ca 0.33 -3.17 0.31 0.00 -1.01 0.00 0.00 57.07 53.53 2poz s TYR 159 Cb 0.01 -2.59 1.69 0.00 -0.11 0.00 0.00 41.96 40.97 2poz s TYR 159 CO 0.19 -0.64 2.02 -1.00 -1.11 0.00 0.00 175.55 175.01 2poz h PRO 160 N 5.85 0.00 0.00 -1.71 0.13 -1.91 -1.28 132.00 133.08 2poz h PRO 160 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2poz h PRO 160 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2poz h PRO 160 CO 0.67 0.00 -1.05 1.28 -0.23 0.00 0.00 178.00 178.68 2poz n LEU 161 N -3.39 0.79 -4.79 1.56 4.77 -1.26 -4.42 117.00 110.25 2poz n LEU 161 Ca 0.01 0.29 -0.30 0.00 -0.03 0.00 0.00 56.01 55.99 2poz n LEU 161 Cb 0.39 -0.06 0.11 0.00 -2.33 0.00 0.00 43.42 41.53 2poz n LEU 161 CO 0.22 -0.17 0.71 0.00 -1.33 0.00 0.00 177.39 176.82 2poz s ALA 162 N -3.36 2.04 0.00 -1.18 0.00 -0.48 -4.65 121.76 114.13 2poz s ALA 162 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.70 2poz s ALA 162 Cb 0.10 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2poz s ALA 162 CO 0.79 -1.94 0.00 1.04 0.00 0.00 0.00 175.76 175.66 2poz n GLN 163 N -3.57 3.70 -3.77 0.00 1.13 -1.26 -4.96 117.38 108.65 2poz n GLN 163 Ca 0.07 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.03 2poz n GLN 163 Cb 0.57 -0.31 -0.06 0.00 0.11 0.00 0.00 30.24 30.54 2poz n GLN 163 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 2poz s LEU 169 N -1.13 1.01 -0.19 1.08 0.05 -1.26 -4.79 118.68 113.46 2poz s LEU 169 Ca 0.00 -0.49 -0.07 0.00 0.05 0.00 0.00 54.13 53.62 2poz s LEU 169 Cb 0.00 1.35 -0.04 0.00 -2.05 0.00 0.00 46.19 45.45 2poz s LEU 169 CO 0.00 -0.76 0.06 -1.58 -0.55 0.00 0.00 176.35 173.52 2poz s GLN 170 N -3.73 3.93 0.53 1.48 0.74 -1.26 -5.10 119.66 116.25 2poz s GLN 170 Ca 0.03 -0.37 -0.02 0.00 0.05 0.00 0.00 55.36 55.05 2poz s GLN 170 Cb 0.03 -3.21 0.11 0.00 1.10 0.00 0.00 33.01 31.04 2poz s GLN 170 CO -0.11 0.22 0.73 0.72 -0.55 0.00 0.00 175.29 176.30 2poz n HIS 171 N 3.69 -3.26 -1.69 1.67 8.25 -1.26 -4.44 115.22 118.17 2poz n HIS 171 Ca -0.16 -1.12 -0.43 0.00 -0.26 0.00 0.00 57.72 55.74 2poz n HIS 171 Cb 0.52 -0.54 -0.02 0.00 1.12 0.00 0.00 29.99 31.08 2poz n HIS 171 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2poz n VAL 172 N -2.56 1.49 -3.59 1.59 0.31 -1.26 -4.91 118.33 109.40 2poz n VAL 172 Ca 0.11 -0.37 -0.37 0.00 -0.01 0.00 0.00 64.34 63.70 2poz n VAL 172 Cb 0.40 -1.57 -0.09 0.00 -0.91 0.00 0.00 33.84 31.67 2poz n VAL 172 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2poz s THR 173 N -0.58 5.32 -1.65 2.52 2.01 -1.26 -4.48 115.64 117.52 2poz s THR 173 Ca 0.61 0.32 -0.18 0.00 0.31 0.00 0.00 61.69 62.75 2poz s THR 173 Cb -0.59 -3.56 0.15 0.00 0.01 0.00 0.00 72.50 68.51 2poz s THR 173 CO 0.56 0.32 0.74 0.54 -0.69 0.00 0.00 174.62 176.10 2poz n ARG 174 N 4.33 -3.08 -2.75 4.92 1.74 -1.26 -1.71 116.66 118.85 2poz n ARG 174 Ca -0.13 0.37 -0.13 0.00 -0.77 0.00 0.00 57.85 57.18 2poz n ARG 174 Cb 0.52 -5.09 -0.01 0.00 -1.02 0.00 0.00 32.46 26.86 2poz n ARG 174 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2poz n ARG 175 N -4.27 -2.68 -4.44 5.56 1.74 -1.26 -4.98 116.66 106.33 2poz n ARG 175 Ca 0.07 0.43 -0.22 0.00 -0.77 0.00 0.00 57.85 57.36 2poz n ARG 175 Cb 0.49 -5.04 -0.09 0.00 -1.02 0.00 0.00 32.46 26.80 2poz n ARG 175 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2poz s SER 176 N -2.24 2.26 0.29 0.55 0.01 -0.69 -3.54 113.70 110.34 2poz s SER 176 Ca 0.13 -1.53 0.07 0.00 1.31 0.00 0.00 55.95 55.93 2poz s SER 176 Cb -0.07 0.27 -0.03 0.00 0.21 0.00 0.00 66.02 66.41 2poz s SER 176 CO 0.16 -0.81 0.26 -0.94 0.41 0.00 0.00 173.24 172.32 2poz s SER 178 N -3.50 5.46 0.47 2.44 1.04 -1.26 -4.36 113.70 114.00 2poz s SER 178 Ca 0.31 -0.35 0.16 0.00 0.48 0.00 0.00 55.95 56.55 2poz s SER 178 Cb 0.05 -1.21 1.11 0.00 0.10 0.00 0.00 66.02 66.07 2poz s SER 178 CO 0.15 -0.20 2.04 0.00 0.98 0.00 0.00 173.24 176.21 2poz h ALA 179 N 1.34 1.76 -0.22 5.32 0.00 -2.04 -1.69 119.26 123.72 2poz h ALA 179 Ca -0.47 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 2poz h ALA 179 Cb 1.25 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2poz h ALA 179 CO 0.59 0.16 -0.08 0.93 0.00 0.00 0.00 179.25 180.85 2poz h GLU 180 N 0.00 0.45 -0.52 0.00 3.07 -2.04 0.93 114.58 116.46 2poz h GLU 180 Ca -0.00 -0.18 -0.06 0.00 -0.50 0.00 0.00 59.36 58.62 2poz h GLU 180 Cb 0.23 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 2poz h GLU 180 CO 0.02 0.71 0.10 0.00 -1.40 0.00 0.00 179.01 178.43 2poz h ALA 181 N 0.73 0.68 -0.52 3.43 0.00 -1.88 0.19 119.26 121.89 2poz h ALA 181 Ca 0.05 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2poz h ALA 181 Cb 0.56 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2poz h ALA 181 CO 0.03 0.40 0.01 0.82 0.00 0.00 0.00 179.25 180.51 2poz h ILE 182 N 0.73 1.26 -0.67 0.00 2.04 -1.28 0.18 117.51 119.77 2poz h ILE 182 Ca 0.16 -1.08 -0.03 0.00 1.00 0.00 0.00 64.86 64.91 2poz h ILE 182 Cb 0.37 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2poz h ILE 182 CO 0.01 0.38 0.31 -0.08 0.00 0.00 0.00 178.15 178.77 2poz h GLU 183 N 0.79 0.98 -0.68 2.37 4.57 -0.61 -2.18 114.58 119.82 2poz h GLU 183 Ca 0.15 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 2poz h GLU 183 Cb 0.51 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 2poz h GLU 183 CO 0.02 0.79 0.24 1.25 -1.18 0.00 0.00 179.01 180.14 2poz h LEU 184 N 0.94 0.97 -0.64 1.64 6.46 -0.22 -2.21 115.31 122.26 2poz h LEU 184 Ca 0.23 -0.19 0.10 0.00 -0.12 0.00 0.00 57.88 57.90 2poz h LEU 184 Cb 0.14 -0.25 -0.07 0.00 -0.73 0.00 0.00 40.66 39.75 2poz h LEU 184 CO -0.03 0.90 0.25 0.00 -0.62 0.00 0.00 178.44 178.95 2poz h ALA 185 N 1.11 0.84 -0.37 1.25 0.00 -0.12 -0.51 119.26 121.46 2poz h ALA 185 Ca 0.22 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2poz h ALA 185 Cb 0.26 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2poz h ALA 185 CO -0.01 -0.17 0.23 -0.92 0.00 0.00 0.00 179.25 178.38 2poz h TYR 186 N 0.44 0.48 -0.65 0.00 3.20 -0.90 -2.63 116.97 116.91 2poz h TYR 186 Ca 0.32 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.18 2poz h TYR 186 Cb 0.40 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2poz h TYR 186 CO -0.16 0.33 0.34 0.00 -1.64 0.00 0.00 178.16 177.02 2poz h ARG 187 N 0.49 0.90 -0.40 1.82 2.47 -0.72 -1.48 114.38 117.45 2poz h ARG 187 Ca 0.13 -0.10 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2poz h ARG 187 Cb -0.02 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.10 2poz h ARG 187 CO -0.03 0.68 0.24 0.00 0.56 0.00 0.00 179.97 181.42 2poz h ARG 188 N 0.90 0.55 -0.54 0.04 3.08 -0.79 0.38 114.38 118.00 2poz h ARG 188 Ca 0.23 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.17 2poz h ARG 188 Cb 0.05 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 2poz h ARG 188 CO -0.03 0.41 0.13 0.28 -1.07 0.00 0.00 179.97 179.68 2poz h VAL 189 N 0.53 1.25 -0.30 2.04 2.07 -1.13 -1.60 116.25 119.10 2poz h VAL 189 Ca 0.14 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 2poz h VAL 189 Cb 0.01 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2poz h VAL 189 CO -0.03 0.32 -0.04 0.50 0.02 0.00 0.00 177.57 178.35 2poz h LYS 190 N 0.76 0.56 -0.77 1.57 3.64 -0.97 -1.65 116.57 119.71 2poz h LYS 190 Ca 0.17 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2poz h LYS 190 Cb 0.35 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 2poz h LYS 190 CO 0.00 0.73 0.49 0.00 -2.27 0.00 0.00 179.45 178.41 2poz h ALA 191 N 0.81 1.41 -0.40 5.00 0.00 -0.18 -0.79 119.26 125.10 2poz h ALA 191 Ca 0.08 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2poz h ALA 191 Cb 0.50 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2poz h ALA 191 CO 0.02 0.53 -0.17 0.28 0.00 0.00 0.00 179.25 179.91 2poz h VAL 192 N 1.06 1.28 -0.40 0.00 2.07 -1.06 -1.45 116.25 117.75 2poz h VAL 192 Ca 0.28 -1.30 -0.09 0.00 0.82 0.00 0.00 66.70 66.41 2poz h VAL 192 Cb -0.09 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2poz h VAL 192 CO -0.06 0.44 -0.12 -0.09 0.02 0.00 0.00 177.57 177.76 2poz h ARG 193 N 0.64 0.71 -0.45 1.57 9.65 -0.87 -1.03 114.38 124.60 2poz h ARG 193 Ca 0.09 -0.23 -0.08 0.00 -1.10 0.00 0.00 59.98 58.66 2poz h ARG 193 Cb 0.72 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.23 2poz h ARG 193 CO 0.05 0.80 -0.03 -0.44 2.80 0.00 0.00 179.97 183.15 2poz h ASP 194 N 0.64 0.80 0.30 -3.80 3.32 -1.02 -2.15 116.42 114.52 2poz h ASP 194 Ca 0.11 -0.33 -0.20 0.00 0.02 0.00 0.00 57.03 56.63 2poz h ASP 194 Cb 0.57 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 2poz h ASP 194 CO 0.04 0.94 -0.83 0.00 -1.72 0.00 0.00 179.24 177.66 2poz h ALA 195 N 0.89 0.48 0.00 3.45 0.00 -1.11 -3.28 119.26 119.68 2poz h ALA 195 Ca 0.12 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2poz h ALA 195 Cb 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2poz h ALA 195 CO 0.03 0.79 -0.16 0.00 0.00 0.00 0.00 179.25 179.92 2poz h ALA 196 N 0.84 0.92 0.00 0.00 0.00 -1.20 -3.48 119.26 116.34 2poz h ALA 196 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2poz h ALA 196 Cb 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2poz h ALA 196 CO 0.14 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.80 2poz n GLY 197 N 1.14 -0.46 0.00 0.00 0.00 -0.81 -4.37 105.19 100.70 2poz n GLY 197 Ca 0.04 -1.69 0.10 0.00 0.00 0.00 0.00 46.02 44.46 2poz n GLY 197 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2poz n PRO 198 N -0.36 0.20 0.05 1.61 -0.04 -1.26 -3.49 135.00 131.71 2poz n PRO 198 Ca 0.00 0.12 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 2poz n PRO 198 Cb 0.00 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.03 2poz n PRO 198 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2poz n GLU 199 N -1.35 0.33 -3.07 0.54 1.02 -1.26 -4.91 120.64 111.95 2poz n GLU 199 Ca 0.08 0.04 -0.39 0.00 -0.02 0.00 0.00 57.16 56.86 2poz n GLU 199 Cb 0.18 -1.65 -0.05 0.00 -0.02 0.00 0.00 31.44 29.90 2poz n GLU 199 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2poz s ILE 200 N -3.21 4.72 0.04 -3.67 -1.09 -1.23 -5.00 121.20 111.76 2poz s ILE 200 Ca 0.04 1.50 -0.28 0.00 -2.23 0.00 0.00 60.65 59.68 2poz s ILE 200 Cb 0.13 -4.05 -0.05 0.00 -1.58 0.00 0.00 42.46 36.92 2poz s ILE 200 CO 0.77 0.42 0.88 -1.61 -1.23 0.00 0.00 174.94 174.17 2poz s GLU 201 N -0.36 4.57 0.43 2.79 2.02 -0.73 -4.95 118.70 122.47 2poz s GLU 201 Ca 0.35 1.26 0.01 0.00 0.02 0.00 0.00 54.97 56.61 2poz s GLU 201 Cb -0.20 -3.40 0.01 0.00 0.10 0.00 0.00 34.13 30.64 2poz s GLU 201 CO 0.22 0.14 0.11 1.28 0.02 0.00 0.00 175.26 177.03 2poz n LEU 202 N 3.23 0.00 -3.21 1.80 4.77 -1.26 -0.24 117.00 122.08 2poz n LEU 202 Ca 0.01 -2.55 0.04 0.00 -0.03 0.00 0.00 56.01 53.48 2poz n LEU 202 Cb 0.50 0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.75 2poz n LEU 202 CO 0.50 -0.43 0.69 -0.69 -1.33 0.00 0.00 177.39 176.13 2poz s VAL 204 N -2.43 -0.27 -0.26 4.08 1.01 -0.83 -0.96 120.40 120.74 2poz s VAL 204 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 2poz s VAL 204 Cb -0.01 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 2poz s VAL 204 CO 0.05 0.00 0.24 -0.62 0.00 0.00 0.00 175.10 174.77 2poz s ASP 205 N 2.63 6.14 0.00 3.32 -1.08 -0.39 -0.39 116.67 126.90 2poz s ASP 205 Ca -0.02 0.15 0.23 0.00 -0.52 0.00 0.00 52.55 52.38 2poz s ASP 205 Cb -0.07 -2.14 0.03 0.00 -1.46 0.00 0.00 42.92 39.27 2poz s ASP 205 CO -0.13 -0.04 1.11 0.18 0.52 0.00 0.00 175.17 176.80 2poz n LEU 206 N 4.80 1.86 -4.20 -1.34 4.77 -0.43 -4.31 117.00 118.15 2poz n LEU 206 Ca -0.13 -0.70 -0.36 0.00 -0.03 0.00 0.00 56.01 54.79 2poz n LEU 206 Cb 0.52 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 2poz n LEU 206 CO 0.35 0.35 -0.06 -0.24 -1.33 0.00 0.00 177.39 176.46 2poz n SER 207 N -0.21 -2.88 0.00 -1.43 2.88 -1.24 -1.01 113.62 109.75 2poz n SER 207 Ca 0.09 -0.98 0.00 0.00 -1.33 0.00 0.00 58.87 56.65 2poz n SER 207 Cb 0.45 -2.39 0.00 0.00 -0.75 0.00 0.00 64.21 61.52 2poz n SER 207 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2poz n GLY 208 N -1.25 2.13 7.00 0.46 0.00 0.85 -4.88 105.19 109.50 2poz n GLY 208 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2poz n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2poz n GLY 209 N -0.24 1.13 0.00 -0.02 0.00 -0.18 -2.96 105.19 102.92 2poz n GLY 209 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2poz n GLY 209 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2poz n LEU 210 N 0.00 0.00 -4.84 0.99 4.77 -1.26 -4.64 117.00 112.01 2poz n LEU 210 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 2poz n LEU 210 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 2poz n LEU 210 CO 0.00 0.00 0.55 0.42 -1.33 0.00 0.00 177.39 177.03 2poz s THR 211 N 2.45 4.59 0.15 -5.08 -4.23 -1.23 -4.78 115.64 107.50 2poz s THR 211 Ca 0.00 1.09 -0.17 0.00 -1.18 0.00 0.00 61.69 61.44 2poz s THR 211 Cb 0.00 -3.66 0.09 0.00 1.34 0.00 0.00 72.50 70.27 2poz s THR 211 CO 0.00 -0.40 1.14 0.41 -0.54 0.00 0.00 174.62 175.22 2poz n THR 212 N -0.90 -0.43 0.00 3.99 -1.04 -1.26 -1.32 114.28 113.32 2poz n THR 212 Ca 0.05 1.74 -0.10 0.00 -2.04 0.00 0.00 64.05 63.71 2poz n THR 212 Cb 0.54 -2.25 -0.04 0.00 -1.82 0.00 0.00 70.33 66.76 2poz n THR 212 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 2poz h ASP 213 N 0.00 -0.33 -0.19 8.00 2.03 -2.00 -1.02 116.42 122.90 2poz h ASP 213 Ca 0.20 0.07 -0.09 0.00 -0.73 0.00 0.00 57.03 56.47 2poz h ASP 213 Cb 0.39 0.16 -0.02 0.00 -0.83 0.00 0.00 39.33 39.04 2poz h ASP 213 CO -0.72 -0.14 -0.19 -0.33 -1.03 0.00 0.00 179.24 176.83 2poz h GLU 214 N -0.13 0.62 -0.48 4.15 4.39 -1.67 -2.40 114.58 119.06 2poz h GLU 214 Ca 0.08 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 2poz h GLU 214 Cb 0.24 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2poz h GLU 214 CO -0.19 0.77 0.21 1.15 -1.16 0.00 0.00 179.01 179.80 2poz h THR 215 N 0.56 1.20 -0.38 1.13 2.02 -0.89 -1.39 112.91 115.15 2poz h THR 215 Ca 0.09 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 2poz h THR 215 Cb 0.63 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 2poz h THR 215 CO 0.04 0.23 0.19 0.40 0.37 0.00 0.00 175.52 176.75 2poz h ILE 216 N 0.63 1.17 -0.44 3.11 2.04 -1.04 -0.84 117.51 122.14 2poz h ILE 216 Ca 0.16 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.56 2poz h ILE 216 Cb 0.16 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2poz h ILE 216 CO -0.02 0.18 0.29 -0.09 0.00 0.00 0.00 178.15 178.51 2poz h ARG 217 N 0.48 0.57 -0.25 2.37 2.43 -1.25 -1.21 114.38 117.52 2poz h ARG 217 Ca 0.13 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2poz h ARG 217 Cb 0.11 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2poz h ARG 217 CO -0.02 0.37 0.11 0.35 -1.51 0.00 0.00 179.97 179.28 2poz h PHE 218 N 0.58 0.36 -0.47 2.20 3.57 -1.06 -1.16 116.94 120.96 2poz h PHE 218 Ca 0.16 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.66 2poz h PHE 218 Cb -0.06 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 2poz h PHE 218 CO -0.05 0.36 0.31 0.00 -2.23 0.00 0.00 178.31 176.70 2poz h ARG 220 N 0.57 0.81 -0.65 0.00 3.08 -0.92 -2.91 114.38 114.35 2poz h ARG 220 Ca 0.18 -0.58 -0.01 0.00 0.07 0.00 0.00 59.98 59.65 2poz h ARG 220 Cb 0.04 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 2poz h ARG 220 CO -0.04 1.20 0.38 -0.22 -1.07 0.00 0.00 179.97 180.22 2poz h LYS 221 N 0.55 0.89 -0.17 0.04 3.64 -0.39 -1.67 116.57 119.47 2poz h LYS 221 Ca -0.02 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2poz h LYS 221 Cb 1.25 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2poz h LYS 221 CO 0.13 0.63 0.00 0.44 -2.27 0.00 0.00 179.45 178.39 2poz n ILE 222 N -4.39 0.21 -0.34 2.00 -5.35 -0.82 -4.25 119.36 106.42 2poz n ILE 222 Ca 0.06 -0.38 0.02 0.00 -0.27 0.00 0.00 62.75 62.18 2poz n ILE 222 Cb 0.08 0.47 0.16 0.00 -1.74 0.00 0.00 39.64 38.60 2poz n ILE 222 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2poz h GLY 223 N 4.95 1.41 2.00 3.28 0.00 -1.09 -0.98 103.07 112.63 2poz h GLY 223 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2poz h GLY 223 CO 0.00 0.30 0.00 1.18 0.00 0.00 0.00 176.54 178.02 2poz n GLU 224 N -4.57 0.03 -0.27 4.80 4.71 -1.26 -2.21 120.64 121.87 2poz n GLU 224 Ca 0.14 0.38 0.06 0.00 -0.01 0.00 0.00 57.16 57.73 2poz n GLU 224 Cb 0.18 -1.57 0.19 0.00 -1.01 0.00 0.00 31.44 29.23 2poz n GLU 224 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2poz n LEU 225 N -1.62 2.47 -3.28 -4.62 4.77 -0.37 -4.97 117.00 109.37 2poz n LEU 225 Ca 0.02 -1.24 -0.20 0.00 -0.03 0.00 0.00 56.01 54.56 2poz n LEU 225 Cb 0.10 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 40.86 2poz n LEU 225 CO 0.09 0.51 -0.06 -0.67 -1.33 0.00 0.00 177.39 175.93 2poz n ASP 226 N 0.58 -6.56 -4.69 -1.43 2.03 -0.94 -4.95 116.55 100.59 2poz n ASP 226 Ca 0.14 -0.08 -0.38 0.00 0.52 0.00 0.00 54.79 54.98 2poz n ASP 226 Cb 0.44 -3.48 -0.07 0.00 -0.72 0.00 0.00 41.12 37.29 2poz n ASP 226 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2poz s ILE 227 N -2.39 5.18 0.11 5.18 -1.09 -1.26 -4.59 121.20 122.34 2poz s ILE 227 Ca 0.20 0.82 -0.23 0.00 -2.23 0.00 0.00 60.65 59.21 2poz s ILE 227 Cb -0.03 -3.77 -0.07 0.00 -1.58 0.00 0.00 42.46 37.00 2poz s ILE 227 CO 0.82 0.26 1.69 0.00 -1.23 0.00 0.00 174.94 176.49 2poz s PHE 229 N -6.16 -0.24 -0.17 0.00 -0.12 -1.25 -4.43 117.98 105.61 2poz s PHE 229 Ca -0.14 0.27 -0.04 0.00 -0.05 0.00 0.00 56.93 56.97 2poz s PHE 229 Cb 0.09 0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 42.95 2poz s PHE 229 CO 0.67 -0.30 -0.02 0.54 -0.05 0.00 0.00 175.22 176.06 2poz s VAL 230 N -2.01 3.97 -0.09 -2.49 0.11 -0.52 -1.96 120.40 117.41 2poz s VAL 230 Ca 0.05 -0.32 -0.11 0.00 -2.93 0.00 0.00 61.98 58.67 2poz s VAL 230 Cb -0.01 -2.76 -0.05 0.00 -1.53 0.00 0.00 36.38 32.04 2poz s VAL 230 CO -0.04 0.47 0.26 -0.70 -3.33 0.00 0.00 175.10 171.75 2poz s GLU 231 N 0.56 3.78 -1.09 1.54 2.12 0.47 -1.47 118.70 124.61 2poz s GLU 231 Ca -0.02 0.09 -0.24 0.00 0.36 0.00 0.00 54.97 55.16 2poz s GLU 231 Cb -0.14 -3.25 0.03 0.00 0.26 0.00 0.00 34.13 31.03 2poz s GLU 231 CO 0.02 0.63 0.66 0.39 -0.54 0.00 0.00 175.26 176.43 2poz n GLU 232 N 2.29 -0.67 0.19 4.30 1.02 -0.25 -1.31 120.64 126.20 2poz n GLU 232 Ca -0.16 0.30 0.14 0.00 -0.02 0.00 0.00 57.16 57.42 2poz n GLU 232 Cb 0.53 -2.49 0.66 0.00 -0.02 0.00 0.00 31.44 30.12 2poz n GLU 232 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2poz h PRO 233 N -1.87 0.00 -4.05 3.49 0.13 -1.84 0.24 132.00 128.10 2poz h PRO 233 Ca -0.69 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.31 2poz h PRO 233 Cb 1.40 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.41 2poz h PRO 233 CO 0.47 0.00 -0.39 0.00 -0.23 0.00 0.00 178.00 177.85 2poz n ASP 235 N -0.24 2.59 0.28 0.00 -0.08 -1.16 -4.34 116.55 113.61 2poz n ASP 235 Ca -0.04 1.10 0.18 0.00 -1.51 0.00 0.00 54.79 54.51 2poz n ASP 235 Cb 0.63 -1.35 0.92 0.00 2.34 0.00 0.00 41.12 43.67 2poz n ASP 235 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2poz h PRO 236 N 5.42 0.00 0.00 -0.67 0.11 -1.94 -1.09 132.00 133.84 2poz h PRO 236 Ca -0.46 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.53 2poz h PRO 236 Cb 1.28 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 2poz h PRO 236 CO 0.85 0.00 -0.58 0.35 -0.21 0.00 0.00 178.00 178.41 2poz h PHE 237 N 0.00 0.00 -3.74 0.65 -0.00 -1.94 -3.40 116.94 108.51 2poz h PHE 237 Ca 0.04 0.00 -0.78 0.00 -0.00 0.00 0.00 57.97 57.23 2poz h PHE 237 Cb 0.47 0.00 -0.27 0.00 -0.00 0.00 0.00 35.95 36.14 2poz h PHE 237 CO 0.00 0.58 0.14 0.34 -0.00 0.00 0.00 178.31 179.37 2poz s ASP 238 N -6.81 6.76 0.16 0.41 -1.08 -0.41 -4.87 116.67 110.83 2poz s ASP 238 Ca -0.01 -2.94 0.24 0.00 -0.52 0.00 0.00 52.55 49.32 2poz s ASP 238 Cb 0.13 -2.18 0.91 0.00 -1.46 0.00 0.00 42.92 40.32 2poz s ASP 238 CO 0.75 -0.48 1.74 0.59 0.52 0.00 0.00 175.17 178.29 2poz n ASN 239 N 3.60 0.52 -0.05 -0.34 3.02 -1.26 -2.70 115.26 118.05 2poz n ASN 239 Ca 0.16 0.58 -0.14 0.00 -0.03 0.00 0.00 54.58 55.15 2poz n ASN 239 Cb 0.44 -0.71 -0.07 0.00 -0.61 0.00 0.00 39.78 38.83 2poz n ASN 239 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2poz h GLY 240 N 3.56 0.51 1.69 7.41 0.00 -1.96 -2.72 103.07 111.57 2poz h GLY 240 Ca 0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 47.33 46.64 2poz h GLY 240 CO 0.00 0.54 -0.25 0.00 0.00 0.00 0.00 176.54 176.82 2poz h ALA 241 N 0.56 1.20 -0.47 3.60 0.00 -1.92 -2.52 119.26 119.72 2poz h ALA 241 Ca 0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2poz h ALA 241 Cb 0.88 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2poz h ALA 241 CO 0.07 0.52 0.28 1.25 0.00 0.00 0.00 179.25 181.36 2poz h LEU 242 N 0.33 0.56 -0.27 0.00 5.85 -1.43 -0.22 115.31 120.13 2poz h LEU 242 Ca 0.05 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2poz h LEU 242 Cb 0.63 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2poz h LEU 242 CO 0.04 0.45 0.08 0.50 -0.34 0.00 0.00 178.44 179.18 2poz h LYS 243 N 0.62 0.42 -0.17 1.25 1.63 -1.30 -1.47 116.57 117.55 2poz h LYS 243 Ca 0.17 -0.09 0.02 0.00 -0.85 0.00 0.00 60.65 59.89 2poz h LYS 243 Cb -0.00 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 2poz h LYS 243 CO -0.03 0.49 0.04 0.28 -3.45 0.00 0.00 179.45 176.78 2poz h VAL 244 N 0.27 0.93 -0.43 2.00 2.07 -1.22 -2.44 116.25 117.43 2poz h VAL 244 Ca 0.09 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.58 2poz h VAL 244 Cb 0.25 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2poz h VAL 244 CO -0.00 0.02 0.26 0.40 0.02 0.00 0.00 177.57 178.27 2poz h ILE 245 N 0.11 1.07 -0.09 4.57 2.04 -0.96 -2.27 117.51 121.97 2poz h ILE 245 Ca 0.08 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.78 2poz h ILE 245 Cb 0.06 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2poz h ILE 245 CO -0.10 0.10 0.07 0.77 0.00 0.00 0.00 178.15 178.99 2poz h SER 246 N 0.53 0.01 0.81 1.72 4.64 -0.97 -0.46 113.55 119.83 2poz h SER 246 Ca 0.16 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2poz h SER 246 Cb -0.02 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2poz h SER 246 CO -0.06 0.00 -0.32 -0.62 -0.87 0.00 0.00 176.83 174.96 2poz n GLU 247 N -4.51 0.07 0.00 4.77 1.02 -0.90 -4.06 120.64 117.04 2poz n GLU 247 Ca -0.01 0.03 0.05 0.00 -0.02 0.00 0.00 57.16 57.22 2poz n GLU 247 Cb 0.17 -1.56 -0.04 0.00 -0.02 0.00 0.00 31.44 29.99 2poz n GLU 247 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2poz n GLN 248 N -1.67 2.83 -4.38 3.49 1.13 -0.26 -5.03 117.38 113.49 2poz n GLN 248 Ca 0.06 -0.23 -0.26 0.00 -1.94 0.00 0.00 57.00 54.63 2poz n GLN 248 Cb 0.36 -1.07 -0.10 0.00 0.11 0.00 0.00 30.24 29.54 2poz n GLN 248 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 2poz s ILE 249 N -1.88 2.69 -2.33 5.09 -4.36 -0.74 -4.96 121.20 114.71 2poz s ILE 249 Ca 0.06 -1.98 0.26 0.00 -0.26 0.00 0.00 60.65 58.74 2poz s ILE 249 Cb 0.09 -2.34 0.57 0.00 1.25 0.00 0.00 42.46 42.04 2poz s ILE 249 CO 0.41 -0.18 1.76 -0.81 0.24 0.00 0.00 174.94 176.36 2poz n PRO 250 N -0.02 1.54 -3.77 0.37 -0.04 -1.26 -4.90 135.00 126.92 2poz n PRO 250 Ca -0.10 -0.79 -0.37 0.00 -0.04 0.00 0.00 63.50 62.19 2poz n PRO 250 Cb 0.57 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 32.52 2poz n PRO 250 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2poz s LEU 251 N -1.85 4.38 0.55 1.53 1.43 -1.26 -5.07 118.68 118.39 2poz s LEU 251 Ca 0.37 0.55 -0.20 0.00 -1.03 0.00 0.00 54.13 53.82 2poz s LEU 251 Cb 0.20 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 2poz s LEU 251 CO 0.31 0.35 1.16 -2.84 0.23 0.00 0.00 176.35 175.56 2poz s PRO 252 N -0.82 3.31 0.07 1.29 0.02 -1.26 -4.85 135.00 132.76 2poz s PRO 252 Ca 0.16 1.69 0.06 0.00 0.02 0.00 0.00 61.00 62.93 2poz s PRO 252 Cb -0.13 -2.04 -0.04 0.00 0.02 0.00 0.00 34.50 32.32 2poz s PRO 252 CO 0.05 -0.90 -0.08 0.42 -0.33 0.00 0.00 177.00 176.15 2poz s ILE 253 N -1.69 3.49 -0.02 2.83 1.01 -1.26 -1.44 121.20 124.12 2poz s ILE 253 Ca 0.73 -1.09 0.02 0.00 0.00 0.00 0.00 60.65 60.31 2poz s ILE 253 Cb -0.26 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.61 2poz s ILE 253 CO 0.30 0.21 -0.06 0.00 0.00 0.00 0.00 174.94 175.38 2poz s ALA 254 N -1.15 0.61 0.28 9.38 0.00 -0.54 -2.90 121.76 127.44 2poz s ALA 254 Ca 0.20 -0.24 -0.09 0.00 0.00 0.00 0.00 51.96 51.83 2poz s ALA 254 Cb -0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.79 2poz s ALA 254 CO 0.12 0.11 0.46 0.14 0.00 0.00 0.00 175.76 176.59 2poz s VAL 255 N 0.11 0.00 0.00 0.00 -7.23 -1.06 -1.09 120.40 111.13 2poz s VAL 255 Ca -0.01 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 2poz s VAL 255 Cb -0.06 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.50 2poz s VAL 255 CO -0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 2poz n GLY 256 N -0.43 1.23 0.31 2.32 0.00 -1.26 0.22 105.19 107.59 2poz n GLY 256 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 2poz n GLY 256 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2poz h GLU 257 N 0.00 0.55 -0.55 1.61 4.81 -1.87 -2.93 114.58 116.19 2poz h GLU 257 Ca 0.00 -0.04 -0.40 0.00 -0.13 0.00 0.00 59.36 58.80 2poz h GLU 257 Cb 0.00 -0.12 -0.30 0.00 0.63 0.00 0.00 28.75 28.96 2poz h GLU 257 CO 0.00 0.37 -0.60 0.54 -0.73 0.00 0.00 179.01 178.59 2poz n ARG 258 N -4.46 2.95 -4.98 1.92 1.74 -1.26 -4.80 116.66 107.78 2poz n ARG 258 Ca 0.03 -3.85 -0.28 0.00 -0.77 0.00 0.00 57.85 52.99 2poz n ARG 258 Cb 0.07 -2.09 -0.16 0.00 -1.02 0.00 0.00 32.46 29.26 2poz n ARG 258 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2poz s VAL 259 N -4.19 1.63 -0.05 1.55 1.01 -1.11 -5.00 120.40 114.25 2poz s VAL 259 Ca 0.48 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.67 2poz s VAL 259 Cb 0.41 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 35.39 2poz s VAL 259 CO 0.01 0.46 -0.18 -0.31 0.00 0.00 0.00 175.10 175.07 2poz s TYR 260 N -0.06 1.86 0.32 5.22 1.51 -1.26 -4.61 117.35 120.33 2poz s TYR 260 Ca -0.03 -0.56 0.00 0.00 -1.01 0.00 0.00 57.07 55.47 2poz s TYR 260 Cb -0.12 -1.25 0.00 0.00 -0.11 0.00 0.00 41.96 40.48 2poz s TYR 260 CO 0.02 -0.20 0.00 0.25 -1.11 0.00 0.00 175.55 174.52 2poz n THR 261 N 3.18 0.00 -0.29 -0.71 -2.24 0.04 -2.04 114.28 112.22 2poz n THR 261 Ca -0.18 0.30 0.02 0.00 -2.27 0.00 0.00 64.05 61.92 2poz n THR 261 Cb 0.53 -0.63 0.15 0.00 -2.10 0.00 0.00 70.33 68.27 2poz n THR 261 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2poz h ARG 262 N -0.93 0.81 -0.47 -0.78 3.08 -1.85 -1.59 114.38 112.65 2poz h ARG 262 Ca -0.05 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2poz h ARG 262 Cb 0.91 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 2poz h ARG 262 CO 0.03 0.54 0.31 0.74 -1.07 0.00 0.00 179.97 180.51 2poz h PHE 263 N 0.84 0.60 0.03 3.04 0.05 -1.98 0.07 116.94 119.59 2poz h PHE 263 Ca 0.38 0.01 -0.19 0.00 3.82 0.00 0.00 57.97 61.99 2poz h PHE 263 Cb 0.27 -0.20 0.02 0.00 2.00 0.00 0.00 35.95 38.04 2poz h PHE 263 CO -0.05 0.38 -0.76 0.78 -0.18 0.00 0.00 178.31 178.48 2poz h GLY 264 N 0.65 0.52 2.00 -1.45 0.00 -0.73 -3.28 103.07 100.79 2poz h GLY 264 Ca 0.17 -0.97 -0.02 0.00 0.00 0.00 0.00 47.33 46.52 2poz h GLY 264 CO -0.04 0.85 -0.08 0.74 0.00 0.00 0.00 176.54 178.02 2poz h PHE 265 N -0.03 0.00 -0.79 5.60 -1.00 -0.90 -2.71 116.94 117.11 2poz h PHE 265 Ca -0.10 0.00 0.10 0.00 2.81 0.00 0.00 57.97 60.78 2poz h PHE 265 Cb 1.48 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.97 2poz h PHE 265 CO 0.14 0.08 0.43 -0.09 -1.61 0.00 0.00 178.31 177.26 2poz h ARG 266 N 0.00 0.68 -0.24 1.51 2.43 -1.04 0.15 114.38 117.87 2poz h ARG 266 Ca -0.00 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2poz h ARG 266 Cb 0.54 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2poz h ARG 266 CO 0.01 0.45 0.04 0.87 -1.51 0.00 0.00 179.97 179.83 2poz h LYS 267 N 0.70 0.34 0.00 0.20 1.57 -1.63 -1.56 116.57 116.20 2poz h LYS 267 Ca 0.39 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 59.08 2poz h LYS 267 Cb 0.40 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2poz h LYS 267 CO -0.27 0.34 -0.16 0.82 -0.57 0.00 0.00 179.45 179.61 2poz h ILE 268 N 0.34 1.59 -0.38 1.86 1.08 -1.09 -3.28 117.51 117.63 2poz h ILE 268 Ca 0.08 -1.95 0.07 0.00 -0.39 0.00 0.00 64.86 62.67 2poz h ILE 268 Cb 0.17 2.85 -0.06 0.00 -3.07 0.00 0.00 36.82 36.71 2poz h ILE 268 CO -0.00 0.52 -0.00 -0.26 -0.69 0.00 0.00 178.15 177.72 2poz h PHE 269 N -0.63 -0.03 0.00 1.37 0.05 -0.56 -1.36 116.94 115.78 2poz h PHE 269 Ca -0.02 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.80 2poz h PHE 269 Cb 0.94 0.07 0.00 0.00 2.00 0.00 0.00 35.95 38.96 2poz h PHE 269 CO 0.19 -0.08 0.00 0.93 -0.18 0.00 0.00 178.31 179.18 2poz h GLU 270 N 0.10 0.00 0.00 1.51 5.08 -1.41 -1.48 114.58 118.38 2poz h GLU 270 Ca 0.18 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.33 2poz h GLU 270 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2poz h GLU 270 CO -0.31 0.00 -0.92 -0.07 -1.00 0.00 0.00 179.01 176.71 2poz h LEU 271 N 0.00 0.43 -1.39 1.33 3.38 -1.30 -3.47 115.31 114.29 2poz h LEU 271 Ca 0.00 -0.35 -0.41 0.00 0.09 0.00 0.00 57.88 57.21 2poz h LEU 271 Cb 0.10 -0.13 0.07 0.00 0.09 0.00 0.00 40.66 40.79 2poz h LEU 271 CO 0.00 1.15 -0.77 1.67 0.09 0.00 0.00 178.44 180.57 2poz n GLN 272 N -3.71 -5.94 -0.00 1.13 -0.06 -0.56 -4.90 117.38 103.33 2poz n GLN 272 Ca -0.06 0.70 0.07 0.00 -2.00 0.00 0.00 57.00 55.71 2poz n GLN 272 Cb 0.83 -5.52 -0.10 0.00 -4.06 0.00 0.00 30.24 21.39 2poz n GLN 272 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2poz n ALA 273 N -4.48 2.77 -2.30 1.69 0.00 -1.26 -5.04 120.51 111.88 2poz n ALA 273 Ca -0.16 -0.34 -0.16 0.00 0.00 0.00 0.00 53.44 52.79 2poz n ALA 273 Cb 0.62 -0.47 -0.10 0.00 0.00 0.00 0.00 19.45 19.49 2poz n ALA 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2poz n GLY 275 N -0.40 -0.05 2.91 0.00 0.00 -1.14 -4.99 105.19 101.51 2poz n GLY 275 Ca -0.02 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 2poz n GLY 275 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2poz s ILE 276 N -1.53 0.54 0.08 -0.61 1.01 -1.17 -1.30 121.20 118.22 2poz s ILE 276 Ca 0.06 -0.15 0.06 0.00 0.00 0.00 0.00 60.65 60.62 2poz s ILE 276 Cb 0.07 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 2poz s ILE 276 CO 0.29 0.22 -0.07 0.27 0.00 0.00 0.00 174.94 175.65 2poz s ILE 277 N 0.77 3.56 -0.50 2.92 -4.36 -0.84 -2.55 121.20 120.19 2poz s ILE 277 Ca -0.10 -1.11 0.08 0.00 -0.26 0.00 0.00 60.65 59.25 2poz s ILE 277 Cb -0.13 -2.65 0.32 0.00 1.25 0.00 0.00 42.46 41.25 2poz s ILE 277 CO 0.00 0.17 0.81 0.00 0.24 0.00 0.00 174.94 176.16 2poz n GLN 278 N 0.84 2.17 -1.44 0.37 6.02 0.13 -1.68 117.38 123.80 2poz n GLN 278 Ca -0.13 -4.20 -0.33 0.00 -0.01 0.00 0.00 57.00 52.33 2poz n GLN 278 Cb 0.52 -1.97 0.08 0.00 1.02 0.00 0.00 30.24 29.89 2poz n GLN 278 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2poz s PRO 279 N -2.78 2.31 -0.19 -1.09 0.04 -1.26 -2.66 135.00 129.36 2poz s PRO 279 Ca 0.44 1.45 -0.00 0.00 0.04 0.00 0.00 61.00 62.92 2poz s PRO 279 Cb 0.27 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.95 2poz s PRO 279 CO -0.10 -1.64 -0.16 0.34 0.04 0.00 0.00 177.00 175.48 2poz s ASP 280 N -2.64 3.47 0.37 6.66 -1.08 -1.26 -0.88 116.67 121.32 2poz s ASP 280 Ca 0.67 -0.61 0.24 0.00 -0.52 0.00 0.00 52.55 52.33 2poz s ASP 280 Cb -0.22 -1.55 1.30 0.00 -1.46 0.00 0.00 42.92 41.00 2poz s ASP 280 CO 0.48 -0.01 1.73 0.16 0.52 0.00 0.00 175.17 178.04 2poz h ILE 281 N 5.91 0.00 -0.01 4.11 3.07 -1.84 0.41 117.51 129.17 2poz h ILE 281 Ca -0.44 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.97 2poz h ILE 281 Cb 1.14 0.53 0.00 0.00 -0.27 0.00 0.00 36.82 38.22 2poz h ILE 281 CO 0.63 0.00 -0.20 0.61 -1.05 0.00 0.00 178.15 178.14 2poz n GLY 282 N -1.27 -0.83 0.00 0.16 0.00 -1.26 -2.82 105.19 99.17 2poz n GLY 282 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2poz n GLY 282 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2poz n THR 283 N -0.88 0.00 0.29 2.61 -2.24 0.41 -0.30 114.28 114.18 2poz n THR 283 Ca 0.13 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.08 2poz n THR 283 Cb 0.31 -0.15 0.83 0.00 -2.10 0.00 0.00 70.33 69.23 2poz n THR 283 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2poz h ALA 284 N 0.00 1.00 0.00 6.98 0.00 -0.55 -3.37 119.26 123.32 2poz h ALA 284 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2poz h ALA 284 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2poz h ALA 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2poz n GLY 285 N -0.67 0.49 0.00 0.00 0.00 -1.26 -0.78 105.19 102.97 2poz n GLY 285 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2poz n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2poz n GLY 286 N 0.00 0.78 0.19 -0.02 0.00 -1.13 -4.15 105.19 100.87 2poz n GLY 286 Ca 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.86 2poz n GLY 286 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2poz n LEU 287 N 0.00 0.20 0.00 0.99 4.77 -1.26 -1.58 117.00 120.11 2poz n LEU 287 Ca 0.00 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2poz n LEU 287 Cb 0.00 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2poz n LEU 287 CO 0.00 0.05 0.00 1.21 -1.33 0.00 0.00 177.39 177.32 2poz n GLU 289 N -0.22 0.00 -0.08 3.23 4.07 -1.26 -0.82 120.64 125.56 2poz n GLU 289 Ca 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.04 2poz n GLU 289 Cb 0.05 0.00 0.12 0.00 -0.06 0.00 0.00 31.44 31.55 2poz n GLU 289 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 2poz h THR 290 N 0.00 1.26 -0.79 6.31 2.02 -1.60 -0.39 112.91 119.72 2poz h THR 290 Ca 0.00 -1.24 -0.04 0.00 0.77 0.00 0.00 66.41 65.91 2poz h THR 290 Cb 0.00 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 2poz h THR 290 CO 0.00 0.42 0.35 0.50 0.37 0.00 0.00 175.52 177.16 2poz h LYS 291 N 0.67 1.15 -0.40 6.66 3.64 -1.23 0.61 116.57 127.67 2poz h LYS 291 Ca 0.11 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 2poz h LYS 291 Cb 0.65 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 2poz h LYS 291 CO 0.05 0.91 0.19 0.87 -2.27 0.00 0.00 179.45 179.19 2poz h LYS 292 N 1.12 0.58 -0.40 1.90 1.57 -1.69 -0.81 116.57 118.84 2poz h LYS 292 Ca 0.27 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.99 2poz h LYS 292 Cb 0.16 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 2poz h LYS 292 CO -0.03 0.52 0.17 0.82 -0.57 0.00 0.00 179.45 180.37 2poz h ILE 293 N 0.51 0.93 -0.63 1.86 2.04 -0.49 -2.06 117.51 119.67 2poz h ILE 293 Ca 0.14 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 2poz h ILE 293 Cb 0.14 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 2poz h ILE 293 CO -0.02 0.07 0.30 0.00 0.00 0.00 0.00 178.15 178.50 2poz n ALA 295 N -2.44 1.53 0.00 0.00 0.00 -0.34 -2.43 120.51 116.83 2poz n ALA 295 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2poz n ALA 295 Cb 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2poz n ALA 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2poz n ALA 297 N 0.61 0.00 0.08 0.00 0.00 -0.39 -3.58 120.51 117.23 2poz n ALA 297 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2poz n ALA 297 Cb 0.09 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.84 2poz n ALA 297 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2poz h GLU 298 N 0.00 0.32 0.00 0.00 5.08 -1.76 -0.99 114.58 117.23 2poz h GLU 298 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2poz h GLU 298 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2poz h GLU 298 CO 0.00 0.51 0.00 0.00 -1.00 0.00 0.00 179.01 178.52 2poz n ALA 299 N -2.48 1.97 -1.23 3.43 0.00 -1.23 -2.25 120.51 118.70 2poz n ALA 299 Ca -0.00 -0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.43 2poz n ALA 299 Cb 0.33 -1.28 0.12 0.00 0.00 0.00 0.00 19.45 18.63 2poz n ALA 299 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2poz n TYR 300 N -1.23 0.00 -2.94 0.00 4.02 -0.39 -5.20 117.16 111.42 2poz n TYR 300 Ca 0.09 -0.89 -0.07 0.00 -0.01 0.00 0.00 57.90 57.02 2poz n TYR 300 Cb 0.12 -0.14 0.01 0.00 -0.02 0.00 0.00 39.34 39.31 2poz n TYR 300 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2poz n ASN 301 N -1.22 -7.82 -3.90 7.72 5.15 -0.96 -5.04 115.26 109.20 2poz n ASN 301 Ca 0.14 0.32 -0.09 0.00 -0.60 0.00 0.00 54.58 54.35 2poz n ASN 301 Cb 0.65 -5.24 -0.05 0.00 -0.53 0.00 0.00 39.78 34.61 2poz n ASN 301 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2poz s ARG 303 N -2.75 1.33 -0.08 1.20 1.70 -0.42 -4.94 118.95 114.98 2poz s ARG 303 Ca 0.18 -1.09 0.05 0.00 -0.47 0.00 0.00 55.73 54.39 2poz s ARG 303 Cb -0.05 0.45 -0.01 0.00 -0.57 0.00 0.00 34.95 34.77 2poz s ARG 303 CO 0.77 -0.53 -0.24 0.08 -1.08 0.00 0.00 175.30 174.30 2poz s VAL 304 N -3.95 2.14 -0.57 4.99 1.01 0.11 -1.99 120.40 122.13 2poz s VAL 304 Ca 0.16 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.17 2poz s VAL 304 Cb 0.01 -1.80 0.16 0.00 0.00 0.00 0.00 36.38 34.75 2poz s VAL 304 CO 0.01 0.56 0.40 0.00 0.00 0.00 0.00 175.10 176.07 2poz s ALA 305 N 0.13 2.87 0.15 5.51 0.00 -0.68 -3.75 121.76 125.99 2poz s ALA 305 Ca -0.12 -3.23 -0.34 0.00 0.00 0.00 0.00 51.96 48.27 2poz s ALA 305 Cb -0.16 -1.97 -0.16 0.00 0.00 0.00 0.00 23.12 20.83 2poz s ALA 305 CO 0.07 -2.05 1.26 -2.30 0.00 0.00 0.00 175.76 172.73 2poz n PRO 306 N 2.53 1.29 -3.12 0.00 -0.02 -1.26 -4.27 135.00 130.15 2poz n PRO 306 Ca 0.20 0.46 -0.39 0.00 -2.02 0.00 0.00 63.50 61.75 2poz n PRO 306 Cb 0.38 -2.03 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 2poz n PRO 306 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2poz s HIS 307 N 0.08 3.73 -0.14 6.00 2.46 -0.06 -4.23 115.29 123.14 2poz s HIS 307 Ca 0.76 1.34 -0.06 0.00 0.47 0.00 0.00 55.06 57.57 2poz s HIS 307 Cb -0.86 -2.68 0.06 0.00 -0.13 0.00 0.00 32.58 28.98 2poz s HIS 307 CO 0.50 0.37 0.31 0.14 -2.47 0.00 0.00 174.74 173.58 2poz s VAL 308 N -0.33 -0.28 -0.48 0.89 -7.23 -1.26 -4.35 120.40 107.36 2poz s VAL 308 Ca 0.34 0.19 0.07 0.00 -1.81 0.00 0.00 61.98 60.77 2poz s VAL 308 Cb -0.20 -0.49 0.18 0.00 0.56 0.00 0.00 36.38 36.44 2poz s VAL 308 CO 0.20 0.08 0.65 0.00 -0.31 0.00 0.00 175.10 175.73 2poz n GLY 310 N 3.35 3.59 3.91 0.00 0.00 -1.26 -4.54 105.19 110.24 2poz n GLY 310 Ca 0.17 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 2poz n GLY 310 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2poz s SER 311 N 1.99 4.50 0.60 1.61 1.04 -1.26 -4.92 113.70 117.26 2poz s SER 311 Ca 0.00 0.64 0.30 0.00 0.48 0.00 0.00 55.95 57.37 2poz s SER 311 Cb 0.00 -1.15 1.72 0.00 0.10 0.00 0.00 66.02 66.70 2poz s SER 311 CO 0.00 -1.87 2.12 0.28 0.98 0.00 0.00 173.24 174.74 2poz h SER 312 N -0.96 0.00 0.50 7.02 0.02 -1.97 -2.74 113.55 115.42 2poz h SER 312 Ca -0.45 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.47 2poz h SER 312 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 2poz h SER 312 CO 0.62 0.00 -0.24 0.25 -1.14 0.00 0.00 176.83 176.32 2poz h LEU 313 N 0.00 -0.57 -1.50 5.07 5.85 -1.93 -1.76 115.31 120.47 2poz h LEU 313 Ca 0.07 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 2poz h LEU 313 Cb 0.44 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2poz h LEU 313 CO -0.00 -0.32 -0.25 -0.29 -0.34 0.00 0.00 178.44 177.24 2poz h ILE 314 N -0.80 1.18 -0.06 4.05 2.10 -1.86 -1.13 117.51 121.00 2poz h ILE 314 Ca -0.07 -0.85 -0.15 0.00 1.08 0.00 0.00 64.86 64.86 2poz h ILE 314 Cb 0.57 1.46 -0.01 0.00 -1.09 0.00 0.00 36.82 37.75 2poz h ILE 314 CO 0.11 0.24 -0.64 -0.08 -1.08 0.00 0.00 178.15 176.70 2poz h GLU 315 N 0.00 0.24 -0.16 2.19 4.81 -1.47 -1.44 114.58 118.75 2poz h GLU 315 Ca -0.00 -0.18 -0.14 0.00 -0.13 0.00 0.00 59.36 58.91 2poz h GLU 315 Cb 0.44 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2poz h GLU 315 CO 0.03 0.81 -0.44 1.15 -0.73 0.00 0.00 179.01 179.82 2poz h THR 316 N 0.18 1.34 -0.22 0.32 2.02 -0.78 -2.86 112.91 112.91 2poz h THR 316 Ca -0.01 -1.71 -0.02 0.00 0.77 0.00 0.00 66.41 65.44 2poz h THR 316 Cb 1.17 2.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 2poz h THR 316 CO 0.10 0.52 0.04 0.00 0.37 0.00 0.00 175.52 176.55 2poz h ALA 317 N 0.55 1.66 -0.35 6.16 0.00 -1.14 -1.53 119.26 124.61 2poz h ALA 317 Ca -0.01 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2poz h ALA 317 Cb 1.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2poz h ALA 317 CO 0.10 0.26 -0.15 1.15 0.00 0.00 0.00 179.25 180.60 2poz h THR 318 N 0.31 1.25 -0.53 0.00 2.02 -1.15 -2.58 112.91 112.23 2poz h THR 318 Ca 0.08 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.11 2poz h THR 318 Cb 0.15 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 2poz h THR 318 CO -0.00 0.38 0.35 -0.07 0.37 0.00 0.00 175.52 176.55 2poz h LEU 319 N 0.56 0.61 -0.10 2.58 3.38 -1.05 -0.94 115.31 120.36 2poz h LEU 319 Ca 0.10 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.09 2poz h LEU 319 Cb 0.58 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2poz h LEU 319 CO 0.04 0.44 -0.15 1.56 0.09 0.00 0.00 178.44 180.42 2poz h GLN 320 N 0.72 -0.20 0.33 1.13 1.08 -1.36 -1.00 115.11 115.80 2poz h GLN 320 Ca 0.19 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 2poz h GLN 320 Cb -0.08 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 2poz h GLN 320 CO -0.04 -0.13 -0.23 1.25 -0.95 0.00 0.00 178.83 178.72 2poz h LEU 321 N -0.21 -0.60 -2.42 1.46 5.85 -1.35 -2.80 115.31 115.24 2poz h LEU 321 Ca 0.08 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2poz h LEU 321 Cb 0.33 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2poz h LEU 321 CO -0.22 -0.36 0.10 -0.33 -0.34 0.00 0.00 178.44 177.29 2poz h GLU 322 N -0.56 0.00 0.00 1.25 5.08 -0.84 0.18 114.58 119.69 2poz h GLU 322 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2poz h GLU 322 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2poz h GLU 322 CO 0.01 0.00 -0.40 0.00 -1.00 0.00 0.00 179.01 177.62 2poz n ALA 323 N -1.96 3.04 -0.06 3.43 0.00 -0.41 -4.42 120.51 120.13 2poz n ALA 323 Ca -0.02 -0.25 -0.09 0.00 0.00 0.00 0.00 53.44 53.08 2poz n ALA 323 Cb 0.15 -1.23 -0.06 0.00 0.00 0.00 0.00 19.45 18.32 2poz n ALA 323 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2poz n ASN 324 N -1.72 2.98 -4.77 0.00 2.85 0.55 -0.20 115.26 114.95 2poz n ASN 324 Ca 0.05 -0.06 -0.41 0.00 -0.11 0.00 0.00 54.58 54.05 2poz n ASN 324 Cb 0.37 -0.14 -0.01 0.00 1.24 0.00 0.00 39.78 41.23 2poz n ASN 324 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 2poz s ILE 325 N -2.25 2.47 0.20 -1.44 -4.36 -0.75 -4.70 121.20 110.37 2poz s ILE 325 Ca -0.16 0.47 0.06 0.00 -0.26 0.00 0.00 60.65 60.76 2poz s ILE 325 Cb 0.04 -3.30 -0.11 0.00 1.25 0.00 0.00 42.46 40.35 2poz s ILE 325 CO 0.30 0.11 1.46 0.71 0.24 0.00 0.00 174.94 177.76 2poz h THR 326 N 3.03 1.51 -1.25 8.37 1.35 -1.95 -3.31 112.91 120.66 2poz h THR 326 Ca -0.50 -2.53 -0.69 0.00 -0.55 0.00 0.00 66.41 62.14 2poz h THR 326 Cb 1.23 2.38 -0.30 0.00 -1.73 0.00 0.00 68.15 69.73 2poz h THR 326 CO 0.65 0.73 0.75 -0.46 -0.25 0.00 0.00 175.52 176.95 2poz n ASN 327 N -3.67 7.38 -4.76 5.36 6.94 -1.26 -5.09 115.26 120.15 2poz n ASN 327 Ca -0.02 -3.80 -0.29 0.00 -0.02 0.00 0.00 54.58 50.45 2poz n ASN 327 Cb 0.74 -0.94 0.14 0.00 -2.36 0.00 0.00 39.78 37.36 2poz n ASN 327 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2poz s PHE 328 N -3.87 2.47 0.30 -2.53 5.36 -1.25 0.07 117.98 118.53 2poz s PHE 328 Ca 0.60 0.94 0.01 0.00 -0.96 0.00 0.00 56.93 57.52 2poz s PHE 328 Cb 0.48 -3.31 -0.03 0.00 -0.34 0.00 0.00 43.02 39.81 2poz s PHE 328 CO -0.11 -2.39 0.49 -1.50 -1.46 0.00 0.00 175.22 170.25 2poz s ILE 330 N -3.18 5.15 -0.03 3.12 2.07 -1.25 -4.76 121.20 122.32 2poz s ILE 330 Ca 0.64 -0.51 -0.02 0.00 -1.41 0.00 0.00 60.65 59.34 2poz s ILE 330 Cb -0.16 -3.83 -0.04 0.00 0.13 0.00 0.00 42.46 38.56 2poz s ILE 330 CO 0.54 -0.44 0.13 -2.28 -1.91 0.00 0.00 174.94 170.99 2poz s HIS 331 N -2.16 3.44 -0.20 3.50 5.65 -0.64 -4.13 115.29 120.75 2poz s HIS 331 Ca 0.39 0.32 -0.08 0.00 0.25 0.00 0.00 55.06 55.93 2poz s HIS 331 Cb -0.10 -1.81 -0.04 0.00 -1.18 0.00 0.00 32.58 29.45 2poz s HIS 331 CO 0.33 0.62 0.09 -2.00 -0.65 0.00 0.00 174.74 173.13 2poz s GLU 332 N -1.67 4.01 0.02 2.88 2.12 -1.26 -0.38 118.70 124.42 2poz s GLU 332 Ca 0.23 -0.32 0.01 0.00 0.36 0.00 0.00 54.97 55.25 2poz s GLU 332 Cb -0.12 -3.31 -0.01 0.00 0.26 0.00 0.00 34.13 30.94 2poz s GLU 332 CO 0.14 0.21 -0.05 -1.58 -0.54 0.00 0.00 175.26 173.44 2poz s HIS 333 N 0.56 0.44 -0.62 5.30 2.46 -1.10 -4.72 115.29 117.60 2poz s HIS 333 Ca 0.05 -0.32 0.02 0.00 0.47 0.00 0.00 55.06 55.27 2poz s HIS 333 Cb -0.12 -0.28 0.16 0.00 -0.13 0.00 0.00 32.58 32.20 2poz s HIS 333 CO 0.01 -0.07 0.41 0.71 -2.47 0.00 0.00 174.74 173.32 2poz s TYR 334 N -0.86 3.39 0.45 3.88 2.02 -1.26 -1.97 117.35 123.00 2poz s TYR 334 Ca -0.06 -3.07 0.37 0.00 -0.37 0.00 0.00 57.07 53.93 2poz s TYR 334 Cb -0.06 -2.94 1.88 0.00 -0.40 0.00 0.00 41.96 40.44 2poz s TYR 334 CO -0.00 -0.73 2.19 -1.00 -1.57 0.00 0.00 175.55 174.44 2poz h PRO 335 N 6.37 0.00 -0.44 -1.71 0.13 -1.95 -2.96 132.00 131.44 2poz h PRO 335 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2poz h PRO 335 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2poz h PRO 335 CO 0.72 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.51 2poz n ALA 336 N -2.14 2.48 0.03 -0.56 0.00 -1.26 -3.97 120.51 115.09 2poz n ALA 336 Ca -0.02 -0.76 0.06 0.00 0.00 0.00 0.00 53.44 52.73 2poz n ALA 336 Cb 0.18 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 18.57 2poz n ALA 336 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2poz n PHE 337 N 0.71 0.64 0.97 0.00 3.01 -1.12 -3.87 117.46 117.80 2poz n PHE 337 Ca 0.14 0.20 0.12 0.00 1.01 0.00 0.00 57.45 58.92 2poz n PHE 337 Cb 0.38 -0.89 0.56 0.00 -0.01 0.00 0.00 39.48 39.52 2poz n PHE 337 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2poz n LYS 338 N -2.64 0.16 -0.02 -1.08 4.01 -1.25 -2.92 118.16 114.42 2poz n LYS 338 Ca -0.07 0.07 0.09 0.00 -0.51 0.00 0.00 58.31 57.89 2poz n LYS 338 Cb 0.70 -1.50 -0.16 0.00 -0.51 0.00 0.00 35.03 33.56 2poz n LYS 338 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2poz n ALA 339 N -1.40 2.68 -1.48 7.82 0.00 -1.25 -4.94 120.51 121.94 2poz n ALA 339 Ca 0.08 -0.56 -0.40 0.00 0.00 0.00 0.00 53.44 52.56 2poz n ALA 339 Cb 0.24 -0.68 0.02 0.00 0.00 0.00 0.00 19.45 19.03 2poz n ALA 339 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2poz n ASP 340 N -2.27 -0.64 -4.70 0.00 9.92 -1.15 -4.88 116.55 112.83 2poz n ASP 340 Ca -0.06 0.85 -0.42 0.00 -0.53 0.00 0.00 54.79 54.63 2poz n ASP 340 Cb 0.59 -1.18 -0.03 0.00 -0.64 0.00 0.00 41.12 39.87 2poz n ASP 340 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2poz s ASP 341 N -1.02 7.02 0.00 -2.24 1.01 -1.26 -2.41 116.67 117.77 2poz s ASP 341 Ca 0.66 1.97 0.00 0.00 0.71 0.00 0.00 52.55 55.89 2poz s ASP 341 Cb -0.52 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 40.84 2poz s ASP 341 CO 0.56 -0.55 0.00 0.61 0.21 0.00 0.00 175.17 176.00 2poz n GLY 342 N 3.34 0.64 3.62 0.21 0.00 -1.26 -3.79 105.19 107.96 2poz n GLY 342 Ca 0.10 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 2poz n GLY 342 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2poz n TYR 343 N -2.00 1.58 -3.96 1.61 9.36 -1.01 -3.05 117.16 119.69 2poz n TYR 343 Ca 0.00 0.64 -0.31 0.00 3.32 0.00 0.00 57.90 61.55 2poz n TYR 343 Cb 0.00 -2.31 -0.15 0.00 -0.63 0.00 0.00 39.34 36.24 2poz n TYR 343 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2poz s VAL 344 N -0.81 1.73 -0.03 2.97 1.01 -1.26 -4.88 120.40 119.13 2poz s VAL 344 Ca 0.61 -1.49 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 2poz s VAL 344 Cb -0.69 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2poz s VAL 344 CO 0.58 -0.20 1.26 -0.70 0.00 0.00 0.00 175.10 176.04 2poz s GLU 345 N 1.28 4.34 -0.01 2.72 2.56 -1.26 -4.90 118.70 123.43 2poz s GLU 345 Ca -0.03 1.77 0.18 0.00 0.00 0.00 0.00 54.97 56.90 2poz s GLU 345 Cb -0.19 -3.54 -0.24 0.00 2.00 0.00 0.00 34.13 32.16 2poz s GLU 345 CO -0.08 -0.47 0.63 1.33 -0.56 0.00 0.00 175.26 176.11 2poz n VAL 346 N 4.57 0.00 -4.68 3.70 0.24 -1.26 -4.80 118.33 116.09 2poz n VAL 346 Ca 0.11 -0.21 -0.34 0.00 -2.04 0.00 0.00 64.34 61.86 2poz n VAL 346 Cb 0.45 0.63 -0.12 0.00 -1.47 0.00 0.00 33.84 33.34 2poz n VAL 346 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2poz s LEU 347 N -3.44 3.08 0.33 1.34 1.43 -1.26 -1.20 118.68 118.96 2poz s LEU 347 Ca 0.01 -0.06 0.26 0.00 -1.03 0.00 0.00 54.13 53.32 2poz s LEU 347 Cb 0.13 -1.66 1.07 0.00 0.03 0.00 0.00 46.19 45.76 2poz s LEU 347 CO 0.76 0.36 1.78 -0.08 0.23 0.00 0.00 176.35 179.40 2poz h GLU 348 N 5.27 0.00 -1.02 1.70 4.57 -0.73 -3.35 114.58 121.03 2poz h GLU 348 Ca -0.48 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.35 2poz h GLU 348 Cb 1.17 0.00 -0.24 0.00 -0.16 0.00 0.00 28.75 29.52 2poz h GLU 348 CO 0.52 0.00 -0.72 0.27 -1.18 0.00 0.00 179.01 177.89 2poz n ASN 349 N -2.46 -1.85 -4.73 1.04 0.23 -1.26 -5.05 115.26 101.18 2poz n ASN 349 Ca 0.02 -2.96 -0.30 0.00 -0.53 0.00 0.00 54.58 50.81 2poz n ASN 349 Cb 0.26 0.84 0.12 0.00 -2.08 0.00 0.00 39.78 38.92 2poz n ASN 349 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2poz s PRO 350 N 0.12 1.63 0.09 -0.53 0.04 -1.26 -4.90 135.00 130.20 2poz s PRO 350 Ca 0.33 1.08 -0.31 0.00 0.04 0.00 0.00 61.00 62.13 2poz s PRO 350 Cb 0.15 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.78 2poz s PRO 350 CO -0.17 -2.05 1.37 -1.25 0.04 0.00 0.00 177.00 174.94 2poz s PRO 351 N -4.87 4.33 -0.12 0.56 0.04 -1.26 -5.02 135.00 128.66 2poz s PRO 351 Ca 0.63 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.70 2poz s PRO 351 Cb -0.18 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 2poz s PRO 351 CO 0.57 -0.43 -0.16 -1.54 0.04 0.00 0.00 177.00 175.48 2poz s SER 352 N 1.20 3.78 0.63 6.66 1.04 -1.26 -5.11 113.70 120.64 2poz s SER 352 Ca 0.64 -0.38 -0.15 0.00 0.48 0.00 0.00 55.95 56.53 2poz s SER 352 Cb -0.35 -1.56 -0.01 0.00 0.10 0.00 0.00 66.02 64.20 2poz s SER 352 CO 0.30 0.17 1.09 -0.63 0.98 0.00 0.00 173.24 175.14 2poz s ILE 353 N 0.34 3.43 -0.40 -1.02 1.09 -1.26 -4.69 121.20 118.69 2poz s ILE 353 Ca -0.13 0.67 0.03 0.00 -1.10 0.00 0.00 60.65 60.13 2poz s ILE 353 Cb -0.16 -3.20 0.16 0.00 -1.06 0.00 0.00 42.46 38.20 2poz s ILE 353 CO 0.07 -0.41 0.36 -0.55 -0.10 0.00 0.00 174.94 174.31 2poz s SER 354 N -2.64 1.42 -0.98 3.58 0.15 -0.28 -4.89 113.70 110.07 2poz s SER 354 Ca 0.66 -2.45 -0.05 0.00 0.70 0.00 0.00 55.95 54.81 2poz s SER 354 Cb -0.19 0.01 -0.06 0.00 -1.71 0.00 0.00 66.02 64.07 2poz s SER 354 CO 0.40 -0.21 0.85 -1.20 1.20 0.00 0.00 173.24 174.28 2poz n SER 355 N 3.39 -5.77 -2.70 5.45 7.64 -1.26 -3.06 113.62 117.30 2poz n SER 355 Ca 0.21 -0.64 -0.21 0.00 1.01 0.00 0.00 58.87 59.24 2poz n SER 355 Cb 0.46 -4.81 0.01 0.00 -1.01 0.00 0.00 64.21 58.86 2poz n SER 355 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2poz n GLY 356 N -1.24 -0.51 2.85 0.23 0.00 -1.23 -4.78 105.19 100.52 2poz n GLY 356 Ca -0.09 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2poz n GLY 356 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2poz s TYR 357 N -3.05 -0.00 -0.13 1.61 2.02 -1.17 -1.87 117.35 114.76 2poz s TYR 357 Ca 0.14 0.06 0.01 0.00 -0.37 0.00 0.00 57.07 56.92 2poz s TYR 357 Cb -0.07 -0.06 -0.01 0.00 -0.40 0.00 0.00 41.96 41.42 2poz s TYR 357 CO 0.18 -0.03 -0.17 -0.06 -1.57 0.00 0.00 175.55 173.90 2poz s PHE 358 N 0.32 2.73 0.00 2.71 0.08 -0.06 -1.13 117.98 122.63 2poz s PHE 358 Ca -0.03 -0.84 0.00 0.00 0.12 0.00 0.00 56.93 56.19 2poz s PHE 358 Cb -0.04 -1.81 0.00 0.00 -0.57 0.00 0.00 43.02 40.60 2poz s PHE 358 CO -0.01 -0.32 0.00 0.39 -0.10 0.00 0.00 175.22 175.18 2poz n GLU 359 N 3.62 0.00 -5.25 0.44 -0.58 -1.26 -1.38 120.64 116.22 2poz n GLU 359 Ca -0.19 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.24 2poz n GLU 359 Cb 0.53 0.00 -0.17 0.00 -0.57 0.00 0.00 31.44 31.23 2poz n GLU 359 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2poz s PRO 361 N 0.39 2.73 0.00 3.49 0.04 -1.26 -4.93 135.00 135.46 2poz s PRO 361 Ca 0.00 -0.90 0.23 0.00 0.04 0.00 0.00 61.00 60.37 2poz s PRO 361 Cb 0.00 -2.21 0.11 0.00 0.04 0.00 0.00 34.50 32.44 2poz s PRO 361 CO 0.00 0.31 1.15 0.09 0.04 0.00 0.00 177.00 178.59 2poz n ASN 362 N 3.15 1.52 -4.73 6.66 5.03 -1.26 -4.94 115.26 120.69 2poz n ASN 362 Ca -0.18 -1.21 -0.30 0.00 0.87 0.00 0.00 54.58 53.76 2poz n ASN 362 Cb 0.52 0.52 0.12 0.00 -1.02 0.00 0.00 39.78 39.93 2poz n ASN 362 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2poz s GLY 363 N -2.64 1.65 0.76 7.41 0.00 -1.26 -4.64 107.32 108.61 2poz s GLY 363 Ca 0.17 0.18 -0.11 0.00 0.00 0.00 0.00 44.72 44.95 2poz s GLY 363 CO 0.64 0.60 1.10 2.56 0.00 0.00 0.00 173.10 178.00 2poz s PRO 364 N -4.86 2.28 6.94 2.90 0.04 -1.26 -3.73 135.00 137.31 2poz s PRO 364 Ca 0.63 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2poz s PRO 364 Cb -0.19 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2poz s PRO 364 CO 0.57 -1.63 0.00 0.41 0.04 0.00 0.00 177.00 176.39 2poz n GLY 365 N -1.03 2.93 0.00 0.56 0.00 -0.42 -1.09 105.19 106.14 2poz n GLY 365 Ca 0.09 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 45.97 2poz n GLY 365 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2poz n LEU 366 N 0.00 0.00 -3.40 0.99 4.77 -1.26 -1.55 117.00 116.55 2poz n LEU 366 Ca 0.00 0.26 -0.22 0.00 -0.03 0.00 0.00 56.01 56.02 2poz n LEU 366 Cb 0.00 -0.26 0.07 0.00 -2.33 0.00 0.00 43.42 40.90 2poz n LEU 366 CO 0.00 -0.02 0.23 0.61 -1.33 0.00 0.00 177.39 176.89 2poz n GLY 367 N 1.11 -0.45 2.79 -0.72 0.00 -0.25 -4.64 105.19 103.03 2poz n GLY 367 Ca 0.14 0.20 -0.17 0.00 0.00 0.00 0.00 46.02 46.19 2poz n GLY 367 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2poz s ALA 368 N -3.30 -0.00 -0.22 4.61 0.00 -1.26 -4.72 121.76 116.86 2poz s ALA 368 Ca 0.55 0.41 -0.08 0.00 0.00 0.00 0.00 51.96 52.84 2poz s ALA 368 Cb -0.24 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 2poz s ALA 368 CO 0.68 -0.38 0.09 0.08 0.00 0.00 0.00 175.76 176.23 2poz s VAL 369 N 1.82 4.74 0.48 0.00 1.01 -1.26 -4.96 120.40 122.23 2poz s VAL 369 Ca -0.01 -0.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.74 2poz s VAL 369 Cb -0.12 -3.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.98 2poz s VAL 369 CO -0.04 0.38 1.00 -0.76 0.00 0.00 0.00 175.10 175.67 2poz s LEU 370 N 1.07 3.81 -0.81 3.92 1.43 -1.26 -0.02 118.68 126.82 2poz s LEU 370 Ca 0.05 1.77 -0.11 0.00 -1.03 0.00 0.00 54.13 54.81 2poz s LEU 370 Cb -0.14 -4.54 0.21 0.00 0.03 0.00 0.00 46.19 41.75 2poz s LEU 370 CO 0.04 -0.64 0.72 -0.63 0.23 0.00 0.00 176.35 176.07 2poz s ILE 371 N -2.20 5.21 0.41 -0.59 1.01 -0.34 -4.72 121.20 119.98 2poz s ILE 371 Ca 0.64 -2.68 0.20 0.00 0.00 0.00 0.00 60.65 58.81 2poz s ILE 371 Cb -0.13 -4.24 0.41 0.00 0.01 0.00 0.00 42.46 38.51 2poz s ILE 371 CO 0.21 -1.01 1.77 0.11 0.00 0.00 0.00 174.94 176.02 2poz h LYS 372 N 7.49 0.34 -0.39 2.79 1.79 -1.95 -0.13 116.57 126.52 2poz h LYS 372 Ca 0.09 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.50 2poz h LYS 372 Cb 1.00 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.56 2poz h LYS 372 CO 0.76 0.23 0.07 -0.09 -1.08 0.00 0.00 179.45 179.33 2poz h ARG 373 N 0.35 0.59 0.00 3.15 2.43 -1.99 -1.00 114.38 117.92 2poz h ARG 373 Ca 0.60 -0.11 -0.13 0.00 -0.81 0.00 0.00 59.98 59.53 2poz h ARG 373 Cb 1.60 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 31.04 2poz h ARG 373 CO -0.28 0.57 -0.61 -0.91 -1.51 0.00 0.00 179.97 177.23 2poz h ASN 374 N 0.58 0.00 0.02 -3.80 4.21 -1.33 -3.33 115.58 111.92 2poz h ASN 374 Ca 0.13 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.64 2poz h ASN 374 Cb 0.26 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.46 2poz h ASN 374 CO 0.00 0.61 -1.85 2.30 -1.29 0.00 0.00 177.43 177.19 2poz n ILE 375 N -3.36 0.01 -0.33 2.81 -5.35 -1.14 -4.43 119.36 107.57 2poz n ILE 375 Ca 0.01 -0.44 0.12 0.00 -0.27 0.00 0.00 62.75 62.17 2poz n ILE 375 Cb 0.73 0.12 0.34 0.00 -1.74 0.00 0.00 39.64 39.08 2poz n ILE 375 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2poz h GLU 376 N 0.00 0.74 0.00 6.28 4.57 -1.29 0.30 114.58 125.18 2poz h GLU 376 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2poz h GLU 376 Cb 0.94 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 2poz h GLU 376 CO 0.00 0.49 0.00 -2.30 -1.18 0.00 0.00 179.01 176.02 2poz n PRO 377 N -4.67 0.10 -0.28 0.92 -0.02 -1.26 -2.16 135.00 127.63 2poz n PRO 377 Ca 0.21 0.52 0.07 0.00 -2.02 0.00 0.00 63.50 62.28 2poz n PRO 377 Cb 0.53 -1.79 0.19 0.00 -0.02 0.00 0.00 33.50 32.41 2poz n PRO 377 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2poz n TYR 378 N -2.00 0.62 -1.68 6.00 4.01 0.10 -5.00 117.16 119.22 2poz n TYR 378 Ca 0.00 -0.69 -0.47 0.00 -0.16 0.00 0.00 57.90 56.58 2poz n TYR 378 Cb 0.08 -0.16 -0.04 0.00 -0.31 0.00 0.00 39.34 38.91 2poz n TYR 378 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 2poz n LEU 379 N -0.08 3.33 -0.11 7.72 7.94 -0.92 -1.31 117.00 133.57 2poz n LEU 379 Ca 0.15 1.01 -0.14 0.00 -1.11 0.00 0.00 56.01 55.93 2poz n LEU 379 Cb 0.63 -1.39 -0.12 0.00 0.53 0.00 0.00 43.42 43.06 2poz n LEU 379 CO 0.10 -0.14 -1.20 1.87 -1.11 0.00 0.00 177.39 176.91 2poz n TRP 380 N 5.46 0.00 -3.45 1.96 -0.00 0.11 -4.84 117.44 116.68 2poz n TRP 380 Ca 0.20 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.57 2poz n TRP 380 Cb 0.29 -0.90 -0.03 0.00 -0.00 0.00 0.00 31.31 30.67 2poz n TRP 380 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2poz s ALA 381 N -2.46 -1.66 -0.02 5.87 0.00 -1.06 -5.02 121.76 117.41 2poz s ALA 381 Ca -0.23 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.49 2poz s ALA 381 Cb 0.07 0.60 0.02 0.00 0.00 0.00 0.00 23.12 23.81 2poz s ALA 381 CO 0.61 -0.64 0.01 -1.12 0.00 0.00 0.00 175.76 174.62 2poz s SER 382 N -2.27 0.27 -0.10 0.00 0.01 -1.26 -1.43 113.70 108.93 2poz s SER 382 Ca -0.02 -0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.26 2poz s SER 382 Cb -0.01 -0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.09 2poz s SER 382 CO -0.06 -0.09 -0.18 0.00 0.41 0.00 0.00 173.24 173.32