#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tub n ARG 2 N 0.00 0.00 -0.74 0.03 0.00 -1.11 -4.63 116.66 110.21 1tub n ARG 2 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.68 1tub n ARG 2 Cb 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 32.46 32.59 1tub n ARG 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1tub n GLU 3 N 0.00 -1.71 -3.70 2.89 2.13 -0.27 -4.48 120.64 115.49 1tub n GLU 3 Ca 0.00 -1.03 -0.13 0.00 0.66 0.00 0.00 57.16 56.65 1tub n GLU 3 Cb 0.00 -0.86 -0.09 0.00 0.27 0.00 0.00 31.44 30.76 1tub n GLU 3 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1tub s ILE 4 N -2.28 0.00 -0.38 6.31 1.01 -1.26 -0.98 121.20 123.62 1tub s ILE 4 Ca 0.40 -0.01 -0.10 0.00 0.00 0.00 0.00 60.65 60.95 1tub s ILE 4 Cb -0.03 -0.69 0.04 0.00 0.01 0.00 0.00 42.46 41.79 1tub s ILE 4 CO 0.30 -0.00 0.21 -0.69 0.00 0.00 0.00 174.94 174.75 1tub s VAL 5 N 0.22 4.37 -0.26 2.92 1.01 -1.08 -4.93 120.40 122.66 1tub s VAL 5 Ca -0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 60.82 1tub s VAL 5 Cb -0.03 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1tub s VAL 5 CO 0.01 -0.31 0.14 -1.00 0.00 0.00 0.00 175.10 173.94 1tub s HIS 6 N 1.50 3.20 -0.17 5.22 3.76 -1.26 -0.51 115.29 127.03 1tub s HIS 6 Ca 0.02 -0.03 -0.01 0.00 -0.15 0.00 0.00 55.06 54.89 1tub s HIS 6 Cb -0.20 -2.29 0.04 0.00 1.11 0.00 0.00 32.58 31.24 1tub s HIS 6 CO 0.05 -0.16 -0.05 0.42 -0.85 0.00 0.00 174.74 174.16 1tub s ILE 7 N 1.48 1.07 -0.18 0.60 1.01 0.18 0.49 121.20 125.86 1tub s ILE 7 Ca 0.06 -0.63 -0.00 0.00 0.00 0.00 0.00 60.65 60.09 1tub s ILE 7 Cb -0.15 -1.27 0.01 0.00 0.01 0.00 0.00 42.46 41.06 1tub s ILE 7 CO 0.07 0.11 -0.16 -1.10 0.00 0.00 0.00 174.94 173.86 1tub s GLN 8 N 1.65 3.13 0.13 2.79 -0.21 -0.44 -2.62 119.66 124.09 1tub s GLN 8 Ca 0.00 -0.77 0.06 0.00 0.02 0.00 0.00 55.36 54.68 1tub s GLN 8 Cb -0.15 -2.67 -0.04 0.00 1.00 0.00 0.00 33.01 31.15 1tub s GLN 8 CO -0.08 -0.14 -0.15 0.00 -2.12 0.00 0.00 175.29 172.81 1tub s ALA 9 N 1.19 1.56 0.00 6.09 0.00 -1.17 0.28 121.76 129.71 1tub s ALA 9 Ca 0.02 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.66 1tub s ALA 9 Cb -0.14 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1tub s ALA 9 CO -0.07 0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.22 1tub n GLY 10 N 0.49 1.22 0.07 0.00 0.00 -0.99 -1.58 105.19 104.40 1tub n GLY 10 Ca -0.15 -0.68 -0.06 0.00 0.00 0.00 0.00 46.02 45.13 1tub n GLY 10 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1tub h GLN 11 N 0.00 0.00 0.00 1.61 5.75 -1.93 -3.13 115.11 117.41 1tub h GLN 11 Ca 0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1tub h GLN 11 Cb 0.00 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 1tub h GLN 11 CO 0.00 0.11 -0.05 0.00 -2.65 0.00 0.00 178.83 176.24 1tub h GLY 13 N 0.15 0.25 1.06 0.00 0.00 -1.49 0.11 103.07 103.14 1tub h GLY 13 Ca -0.00 -0.64 -0.17 0.00 0.00 0.00 0.00 47.33 46.52 1tub h GLY 13 CO 0.01 0.56 -0.54 3.43 0.00 0.00 0.00 176.54 179.99 1tub h ASN 14 N -0.53 0.85 -0.08 0.19 2.35 -1.40 -0.09 115.58 116.87 1tub h ASN 14 Ca -0.13 -0.57 -0.17 0.00 -0.55 0.00 0.00 56.30 54.89 1tub h ASN 14 Cb 1.49 -0.25 0.01 0.00 0.05 0.00 0.00 38.32 39.63 1tub h ASN 14 CO 0.10 1.26 -0.61 -0.61 -1.65 0.00 0.00 177.43 175.93 1tub h GLN 15 N 0.47 0.54 0.00 0.81 4.15 -0.87 -2.27 115.11 117.94 1tub h GLN 15 Ca -0.01 -0.48 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1tub h GLN 15 Cb 1.15 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.96 1tub h GLN 15 CO 0.12 1.11 0.09 0.82 -1.93 0.00 0.00 178.83 179.04 1tub h ILE 16 N 0.14 0.00 -0.10 2.39 1.08 -1.01 0.54 117.51 120.55 1tub h ILE 16 Ca -0.05 0.00 -0.16 0.00 -0.39 0.00 0.00 64.86 64.26 1tub h ILE 16 Cb 1.26 0.79 -0.01 0.00 -3.07 0.00 0.00 36.82 35.79 1tub h ILE 16 CO 0.12 0.00 -0.63 1.23 -0.69 0.00 0.00 178.15 178.19 1tub h GLY 17 N 0.00 0.39 1.17 5.37 0.00 -0.43 -1.74 103.07 107.83 1tub h GLY 17 Ca 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 47.33 46.85 1tub h GLY 17 CO 0.00 0.45 0.53 0.00 0.00 0.00 0.00 176.54 177.52 1tub h ALA 18 N 1.07 1.45 0.00 3.60 0.00 0.40 -2.82 119.26 122.96 1tub h ALA 18 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1tub h ALA 18 Cb 1.16 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1tub h ALA 18 CO 0.10 0.49 -1.49 1.63 0.00 0.00 0.00 179.25 179.99 1tub n LYS 19 N -4.42 0.37 0.00 0.00 4.76 -0.98 -2.79 118.16 115.10 1tub n LYS 19 Ca 0.09 -0.10 -0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1tub n LYS 19 Cb 0.05 -1.53 -0.00 0.00 -1.84 0.00 0.00 35.03 31.71 1tub n LYS 19 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1tub h PHE 20 N 0.00 -0.02 0.00 2.13 3.04 -1.33 -3.25 116.94 117.51 1tub h PHE 20 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1tub h PHE 20 Cb 0.78 0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.30 1tub h PHE 20 CO 0.00 -0.01 0.29 -1.49 -2.02 0.00 0.00 178.31 175.08 1tub h TRP 21 N -0.14 0.00 -0.13 0.41 4.06 -1.72 -1.06 115.95 117.37 1tub h TRP 21 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1tub h TRP 21 Cb 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.17 1tub h TRP 21 CO 0.02 0.00 0.00 0.39 -3.56 0.00 0.00 178.44 175.29 1tub n GLU 22 N -2.46 1.89 -0.06 0.49 1.02 -1.12 -2.38 120.64 118.02 1tub n GLU 22 Ca -0.01 -1.32 0.03 0.00 -0.02 0.00 0.00 57.16 55.84 1tub n GLU 22 Cb 0.33 -1.45 0.12 0.00 -0.02 0.00 0.00 31.44 30.42 1tub n GLU 22 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1tub n VAL 23 N 0.57 0.17 -0.06 2.62 0.31 -0.40 -3.78 118.33 117.76 1tub n VAL 23 Ca 0.17 -0.18 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1tub n VAL 23 Cb 0.41 0.07 -0.04 0.00 -0.91 0.00 0.00 33.84 33.37 1tub n VAL 23 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1tub n ILE 24 N -0.13 0.62 0.00 2.52 5.41 -1.00 -3.38 119.36 123.39 1tub n ILE 24 Ca 0.06 -0.18 0.00 0.00 1.00 0.00 0.00 62.75 63.63 1tub n ILE 24 Cb 0.12 -1.45 0.00 0.00 -0.71 0.00 0.00 39.64 37.60 1tub n ILE 24 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1tub n SER 25 N -3.32 0.00 0.29 4.38 3.41 -1.25 0.81 113.62 117.94 1tub n SER 25 Ca -0.21 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.59 1tub n SER 25 Cb 0.67 0.00 1.06 0.00 -0.26 0.00 0.00 64.21 65.68 1tub n SER 25 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1tub h ASP 26 N 0.00 0.00 -1.62 4.04 1.82 -1.77 -3.47 116.42 115.42 1tub h ASP 26 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1tub h ASP 26 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1tub h ASP 26 CO 0.00 0.00 0.00 -0.62 -1.61 0.00 0.00 179.24 177.01 1tub n GLU 27 N -2.87 0.00 0.00 0.28 1.02 4.39 -4.82 120.64 118.63 1tub n GLU 27 Ca -0.03 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1tub n GLU 27 Cb 0.06 -0.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 1tub n GLU 27 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1tub n HIS 28 N 0.01 0.00 -0.68 -0.32 1.44 -1.26 -4.11 115.22 110.29 1tub n HIS 28 Ca 0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 1tub n HIS 28 Cb 0.00 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.04 1tub n HIS 28 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1tub n GLY 29 N 0.00 -0.11 4.51 -1.39 0.00 -0.54 -3.90 105.19 103.76 1tub n GLY 29 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1tub n GLY 29 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1tub n ILE 30 N 3.54 0.00 -2.00 -0.61 5.41 -1.26 -0.85 119.36 123.59 1tub n ILE 30 Ca 0.30 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 64.02 1tub n ILE 30 Cb -0.02 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 38.88 1tub n ILE 30 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1tub n ASP 31 N 0.00 -0.50 0.00 4.38 5.75 -1.25 -4.57 116.55 120.35 1tub n ASP 31 Ca 0.00 -1.52 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 1tub n ASP 31 Cb 0.00 0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 1tub n ASP 31 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1tub n PRO 32 N 0.00 0.00 0.00 0.11 -0.04 -1.26 -4.73 135.00 129.09 1tub n PRO 32 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1tub n PRO 32 Cb 0.61 -0.73 0.00 0.00 -0.04 0.00 0.00 33.50 33.33 1tub n PRO 32 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1tub n THR 33 N -0.49 0.00 -4.03 0.52 -1.04 -1.26 -5.02 114.28 102.96 1tub n THR 33 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1tub n THR 33 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1tub n THR 33 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1tub n GLY 34 N -0.90 -1.01 7.00 3.41 0.00 -1.26 -4.82 105.19 107.61 1tub n GLY 34 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1tub n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tub n SER 35 N 0.27 0.00 0.00 1.61 3.41 -1.26 -4.34 113.62 113.31 1tub n SER 35 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1tub n SER 35 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1tub n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tub n TYR 36 N 14.00 0.00 0.11 7.33 0.18 -1.26 -3.74 117.16 133.78 1tub n TYR 36 Ca 0.00 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.80 1tub n TYR 36 Cb 0.00 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 38.95 1tub n TYR 36 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1tub h HIS 37 N 0.00 0.00 -0.73 -3.48 -0.00 -1.91 -3.39 115.15 105.63 1tub h HIS 37 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 60.05 1tub h HIS 37 Cb 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 27.41 27.15 1tub h HIS 37 CO 0.00 0.51 -0.75 0.41 -0.00 0.00 0.00 177.93 178.09 1tub n GLY 38 N 1.27 1.75 0.98 2.45 0.00 -1.25 -5.11 105.19 105.28 1tub n GLY 38 Ca -0.02 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1tub n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tub n ASP 39 N 0.11 0.00 0.00 1.61 8.00 -1.26 -5.02 116.55 119.99 1tub n ASP 39 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1tub n ASP 39 Cb 0.73 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 1tub n ASP 39 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1tub n SER 40 N -3.28 0.00 0.00 -2.24 3.41 -1.26 -4.90 113.62 105.35 1tub n SER 40 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1tub n SER 40 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1tub n SER 40 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1tub n ASP 41 N 0.00 0.00 0.00 4.04 8.00 -1.26 -4.92 116.55 122.41 1tub n ASP 41 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1tub n ASP 41 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1tub n ASP 41 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1tub n LEU 42 N 0.00 0.00 0.00 0.64 4.77 -1.26 -5.12 117.00 116.03 1tub n LEU 42 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1tub n LEU 42 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1tub n LEU 42 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 1tub n GLN 43 N -1.87 0.00 -0.83 3.23 6.02 -1.26 -4.39 117.38 118.29 1tub n GLN 43 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 1tub n GLN 43 Cb 0.00 0.00 0.21 0.00 1.02 0.00 0.00 30.24 31.47 1tub n GLN 43 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1tub n LEU 44 N 0.00 4.56 0.00 1.08 7.94 -1.25 -4.76 117.00 124.57 1tub n LEU 44 Ca 0.00 -3.62 0.00 0.00 -1.11 0.00 0.00 56.01 51.28 1tub n LEU 44 Cb 0.00 -0.66 0.00 0.00 0.53 0.00 0.00 43.42 43.29 1tub n LEU 44 CO 0.00 1.13 0.00 -0.62 -1.11 0.00 0.00 177.39 176.79 1tub n GLU 47 N -1.00 -0.90 0.00 1.96 1.02 -1.26 -4.68 120.64 115.78 1tub n GLU 47 Ca 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1tub n GLU 47 Cb 1.13 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.55 1tub n GLU 47 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1tub n ARG 48 N -0.30 0.00 -3.85 3.49 1.74 -1.25 -4.44 116.66 112.06 1tub n ARG 48 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 1tub n ARG 48 Cb 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.28 1tub n ARG 48 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1tub s ILE 49 N -1.07 1.17 -0.23 0.55 1.01 -1.26 -4.96 121.20 116.40 1tub s ILE 49 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.49 1tub s ILE 49 Cb 0.00 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.85 1tub s ILE 49 CO 0.00 -0.29 0.00 0.59 0.00 0.00 0.00 174.94 175.24 1tub n ASN 50 N 4.78 0.00 -4.60 3.58 3.02 -1.26 -4.52 115.26 116.26 1tub n ASN 50 Ca -0.08 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.13 1tub n ASN 50 Cb 0.44 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.51 1tub n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1tub s VAL 51 N -4.00 3.99 0.32 2.41 1.01 -1.26 -5.06 120.40 117.81 1tub s VAL 51 Ca 0.00 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.70 1tub s VAL 51 Cb 0.00 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 1tub s VAL 51 CO 0.00 0.57 0.22 -0.72 0.00 0.00 0.00 175.10 175.17 1tub s TYR 52 N -0.53 2.86 0.00 5.22 1.13 -1.26 -4.67 117.35 120.10 1tub s TYR 52 Ca 0.08 -0.29 0.00 0.00 -1.41 0.00 0.00 57.07 55.45 1tub s TYR 52 Cb -0.12 -1.66 0.00 0.00 -1.10 0.00 0.00 41.96 39.08 1tub s TYR 52 CO 0.02 0.30 0.00 0.66 -2.51 0.00 0.00 175.55 174.02 1tub n TYR 53 N -1.26 0.00 0.00 -3.49 4.01 -1.26 -4.99 117.16 110.17 1tub n TYR 53 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1tub n TYR 53 Cb 0.60 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 1tub n TYR 53 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1tub n ASN 54 N -0.57 0.00 0.27 7.72 3.02 -1.26 -4.10 115.26 120.34 1tub n ASN 54 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.73 1tub n ASN 54 Cb 0.00 0.00 0.83 0.00 -0.61 0.00 0.00 39.78 40.00 1tub n ASN 54 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1tub h GLU 55 N 0.00 0.00 0.00 3.52 5.08 -1.90 0.54 114.58 121.82 1tub h GLU 55 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1tub h GLU 55 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1tub h GLU 55 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1tub n ALA 56 N -2.02 2.34 0.00 3.43 0.00 -1.26 -4.69 120.51 118.32 1tub n ALA 56 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1tub n ALA 56 Cb 0.19 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1tub n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tub n ALA 57 N -0.68 0.00 -0.87 0.00 0.00 0.19 0.08 120.51 119.23 1tub n ALA 57 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.58 1tub n ALA 57 Cb 0.03 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.87 1tub n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tub n GLY 58 N 0.00 3.03 3.18 0.00 0.00 -0.87 0.27 105.19 110.80 1tub n GLY 58 Ca 0.00 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 1tub n GLY 58 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1tub s ASN 59 N -0.88 1.29 0.00 1.61 3.84 0.11 -1.47 114.94 119.44 1tub s ASN 59 Ca 0.53 -0.96 0.00 0.00 0.21 0.00 0.00 52.86 52.65 1tub s ASN 59 Cb 0.40 0.06 0.00 0.00 -0.55 0.00 0.00 41.25 41.16 1tub s ASN 59 CO 0.17 -0.40 0.00 0.29 -2.79 0.00 0.00 177.10 174.37 1tub n LYS 60 N 0.08 0.00 0.08 0.43 5.02 -1.24 -3.68 118.16 118.86 1tub n LYS 60 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1tub n LYS 60 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 1tub n LYS 60 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1tub n TYR 61 N 0.00 0.00 -4.36 2.13 4.19 -1.26 -4.40 117.16 113.45 1tub n TYR 61 Ca 0.00 0.00 -0.19 0.00 3.31 0.00 0.00 57.90 61.02 1tub n TYR 61 Cb 0.00 0.00 -0.10 0.00 0.49 0.00 0.00 39.34 39.73 1tub n TYR 61 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 1tub s VAL 62 N -1.63 1.62 -0.41 2.97 1.01 -1.24 -3.84 120.40 118.87 1tub s VAL 62 Ca 0.00 -2.16 -0.16 0.00 0.00 0.00 0.00 61.98 59.66 1tub s VAL 62 Cb 0.00 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.23 1tub s VAL 62 CO 0.00 -0.50 0.36 -2.16 0.00 0.00 0.00 175.10 172.80 1tub s PRO 63 N -3.69 3.04 -0.30 2.72 0.04 -0.82 -3.86 135.00 132.13 1tub s PRO 63 Ca 0.25 -0.90 -0.20 0.00 0.04 0.00 0.00 61.00 60.19 1tub s PRO 63 Cb 0.01 -3.97 -0.01 0.00 0.04 0.00 0.00 34.50 30.57 1tub s PRO 63 CO 0.08 -0.79 0.64 0.50 0.04 0.00 0.00 177.00 177.47 1tub s ARG 64 N 1.88 3.93 0.13 4.56 3.52 0.76 -4.62 118.95 129.11 1tub s ARG 64 Ca 0.08 0.34 -0.16 0.00 -0.13 0.00 0.00 55.73 55.87 1tub s ARG 64 Cb -0.18 -3.72 0.03 0.00 -1.56 0.00 0.00 34.95 29.52 1tub s ARG 64 CO 0.12 -0.56 0.40 0.00 -0.81 0.00 0.00 175.30 174.45 1tub s ALA 65 N 2.62 -0.90 -0.23 6.12 0.00 -1.26 -4.43 121.76 123.68 1tub s ALA 65 Ca 0.26 -0.08 -0.07 0.00 0.00 0.00 0.00 51.96 52.06 1tub s ALA 65 Cb -0.15 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 1tub s ALA 65 CO 0.11 -0.65 0.07 -1.50 0.00 0.00 0.00 175.76 173.79 1tub s ILE 66 N -3.81 4.48 -0.08 0.00 2.07 1.80 -4.76 121.20 120.90 1tub s ILE 66 Ca 0.04 -0.12 0.04 0.00 -1.41 0.00 0.00 60.65 59.19 1tub s ILE 66 Cb 0.02 -3.07 -0.02 0.00 0.13 0.00 0.00 42.46 39.52 1tub s ILE 66 CO -0.11 0.37 -0.19 -0.22 -1.91 0.00 0.00 174.94 172.88 1tub s LEU 67 N 1.21 2.42 -0.20 8.50 2.96 -0.71 -1.32 118.68 131.53 1tub s LEU 67 Ca 0.05 -0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 53.55 1tub s LEU 67 Cb -0.14 -1.49 0.06 0.00 0.50 0.00 0.00 46.19 45.12 1tub s LEU 67 CO 0.03 0.25 0.04 -0.69 -1.32 0.00 0.00 176.35 174.67 1tub s VAL 68 N -0.17 0.50 0.08 1.68 1.01 0.80 -2.58 120.40 121.72 1tub s VAL 68 Ca -0.02 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.45 1tub s VAL 68 Cb -0.14 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1tub s VAL 68 CO 0.04 -0.26 -0.20 -1.81 0.00 0.00 0.00 175.10 172.87 1tub s ASP 69 N 1.86 3.71 0.00 3.32 1.01 -1.22 -2.36 116.67 123.00 1tub s ASP 69 Ca 0.00 -0.53 0.00 0.00 0.71 0.00 0.00 52.55 52.73 1tub s ASP 69 Cb -0.17 -0.51 0.00 0.00 1.01 0.00 0.00 42.92 43.25 1tub s ASP 69 CO -0.10 0.22 0.94 -0.11 0.21 0.00 0.00 175.17 176.33 1tub n LEU 70 N 1.23 1.74 -3.18 1.23 7.94 -1.26 -3.87 117.00 120.83 1tub n LEU 70 Ca -0.16 -1.74 0.02 0.00 -1.11 0.00 0.00 56.01 53.01 1tub n LEU 70 Cb 0.52 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.46 1tub n LEU 70 CO 0.27 0.44 0.07 -1.61 -1.11 0.00 0.00 177.39 175.44 1tub s GLU 71 N -0.87 0.55 0.00 1.96 2.02 -1.26 -3.50 118.70 117.60 1tub s GLU 71 Ca 0.00 0.44 0.00 0.00 0.02 0.00 0.00 54.97 55.43 1tub s GLU 71 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.38 1tub s GLU 71 CO 0.00 -1.05 0.00 -0.35 0.02 0.00 0.00 175.26 173.88 1tub n PRO 72 N 5.36 0.00 0.02 0.39 -0.04 -1.26 -4.44 135.00 135.04 1tub n PRO 72 Ca 0.05 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.37 1tub n PRO 72 Cb 0.53 -0.81 -0.02 0.00 -0.04 0.00 0.00 33.50 33.16 1tub n PRO 72 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1tub h GLY 73 N 2.51 0.63 1.79 0.55 0.00 -1.96 -3.28 103.07 103.31 1tub h GLY 73 Ca 0.00 -0.91 -0.23 0.00 0.00 0.00 0.00 47.33 46.20 1tub h GLY 73 CO 0.00 0.81 -1.04 -0.84 0.00 0.00 0.00 176.54 175.47 1tub h THR 74 N 0.38 1.56 0.00 4.70 2.02 -1.88 -3.20 112.91 116.49 1tub h THR 74 Ca -0.05 -3.00 0.00 0.00 0.77 0.00 0.00 66.41 64.13 1tub h THR 74 Cb 1.38 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 70.53 1tub h THR 74 CO 0.14 0.87 0.00 0.80 0.37 0.00 0.00 175.52 177.70 1tub n MET 75 N -3.53 0.00 -0.25 6.66 0.00 -1.24 -3.24 117.12 115.52 1tub n MET 75 Ca -0.04 0.31 -0.06 0.00 0.00 0.00 0.00 57.70 57.90 1tub n MET 75 Cb 0.92 -0.85 0.07 0.00 0.00 0.00 0.00 33.22 33.36 1tub n MET 75 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 1tub h ASP 76 N 0.00 1.06 -0.94 6.12 3.32 -1.68 0.76 116.42 125.06 1tub h ASP 76 Ca 0.00 -0.20 0.02 0.00 0.02 0.00 0.00 57.03 56.86 1tub h ASP 76 Cb 0.00 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.22 1tub h ASP 76 CO 0.00 0.99 0.62 0.77 -1.72 0.00 0.00 179.24 179.90 1tub h SER 77 N 1.08 1.06 0.00 6.45 4.64 -1.66 -3.33 113.55 121.79 1tub h SER 77 Ca 0.23 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.44 1tub h SER 77 Cb 0.32 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1tub h SER 77 CO -0.01 0.76 -1.32 0.52 -0.87 0.00 0.00 176.83 175.91 1tub n VAL 78 N -4.41 0.32 -2.35 0.95 0.31 -1.08 -4.78 118.33 107.29 1tub n VAL 78 Ca 0.11 -0.18 -0.41 0.00 -0.01 0.00 0.00 64.34 63.86 1tub n VAL 78 Cb 0.04 -0.84 -0.03 0.00 -0.91 0.00 0.00 33.84 32.11 1tub n VAL 78 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1tub s ARG 79 N -2.11 3.15 0.00 5.55 3.52 0.26 -3.69 118.95 125.63 1tub s ARG 79 Ca -0.04 0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.92 1tub s ARG 79 Cb 0.02 -4.19 0.00 0.00 -1.56 0.00 0.00 34.95 29.22 1tub s ARG 79 CO 0.17 -2.14 0.00 -1.13 -0.81 0.00 0.00 175.30 171.40 1tub n SER 80 N 10.16 0.00 0.00 -2.12 3.41 -1.26 -4.49 113.62 119.32 1tub n SER 80 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1tub n SER 80 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1tub n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tub n GLY 81 N 0.00 0.00 3.31 5.00 0.00 -1.26 -4.46 105.19 107.78 1tub n GLY 81 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1tub n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1tub n PRO 82 N -0.47 -3.35 0.10 1.61 -0.05 -1.24 -4.80 135.00 126.79 1tub n PRO 82 Ca 0.00 -0.98 0.00 0.00 -0.05 0.00 0.00 63.50 62.47 1tub n PRO 82 Cb 0.00 -1.96 0.00 0.00 -0.05 0.00 0.00 33.50 31.49 1tub n PRO 82 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 175.50 175.79 1tub n PHE 83 N -5.24 0.00 -4.25 0.54 7.35 -1.26 -4.62 117.46 109.97 1tub n PHE 83 Ca 0.06 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.63 1tub n PHE 83 Cb 0.56 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.35 1tub n PHE 83 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1tub n GLY 84 N -1.01 3.72 0.14 7.13 0.00 -1.26 -3.85 105.19 110.06 1tub n GLY 84 Ca 0.00 -2.04 -0.23 0.00 0.00 0.00 0.00 46.02 43.75 1tub n GLY 84 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tub n GLN 85 N -0.45 0.60 0.00 1.61 6.02 -1.26 -4.37 117.38 119.53 1tub n GLN 85 Ca -0.03 0.20 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1tub n GLN 85 Cb 0.29 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.07 1tub n GLN 85 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1tub n ILE 86 N -3.69 0.00 0.00 5.09 5.41 -1.26 -4.56 119.36 120.35 1tub n ILE 86 Ca -0.49 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.26 1tub n ILE 86 Cb 0.93 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.86 1tub n ILE 86 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 1tub n PHE 87 N 0.00 0.00 -3.23 1.39 -0.00 -1.26 -4.50 117.46 109.86 1tub n PHE 87 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.13 1tub n PHE 87 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 39.43 1tub n PHE 87 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1tub s ARG 88 N -2.00 3.86 -0.29 -4.13 0.52 -1.26 -4.49 118.95 111.16 1tub s ARG 88 Ca 0.00 0.43 -0.00 0.00 -0.52 0.00 0.00 55.73 55.64 1tub s ARG 88 Cb 0.00 -2.53 -0.01 0.00 0.52 0.00 0.00 34.95 32.93 1tub s ARG 88 CO 0.00 0.20 0.27 -0.35 0.02 0.00 0.00 175.30 175.44 1tub n PRO 89 N -0.43 -0.55 0.00 3.54 -0.04 -1.26 -4.82 135.00 131.44 1tub n PRO 89 Ca 0.02 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.21 1tub n PRO 89 Cb 0.53 -3.03 0.00 0.00 -0.04 0.00 0.00 33.50 30.96 1tub n PRO 89 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1tub n ASP 90 N -1.47 0.00 -4.14 3.54 8.00 -1.26 -5.05 116.55 116.18 1tub n ASP 90 Ca -0.01 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.21 1tub n ASP 90 Cb 0.51 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.44 1tub n ASP 90 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1tub s ASN 91 N 0.00 2.41 -0.25 -2.24 0.01 -1.26 -1.74 114.94 111.87 1tub s ASN 91 Ca 0.00 -0.42 -0.08 0.00 -0.71 0.00 0.00 52.86 51.66 1tub s ASN 91 Cb 0.00 -0.97 -0.03 0.00 0.41 0.00 0.00 41.25 40.66 1tub s ASN 91 CO 0.00 0.12 0.08 -0.36 -1.51 0.00 0.00 177.10 175.44 1tub s PHE 92 N 0.34 3.10 -0.12 2.20 0.40 -1.07 -4.99 117.98 117.85 1tub s PHE 92 Ca -0.13 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 55.87 1tub s PHE 92 Cb -0.15 -2.25 0.02 0.00 0.51 0.00 0.00 43.02 41.14 1tub s PHE 92 CO 0.05 -0.33 -0.15 0.08 0.70 0.00 0.00 175.22 175.57 1tub s VAL 93 N 1.61 1.54 -1.88 -0.44 1.01 -1.26 -3.43 120.40 117.55 1tub s VAL 93 Ca 0.06 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1tub s VAL 93 Cb -0.15 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1tub s VAL 93 CO 0.05 0.45 0.36 0.33 0.00 0.00 0.00 175.10 176.28 1tub n PHE 94 N 4.32 0.00 -2.39 5.22 -0.00 -1.25 -4.79 117.46 118.56 1tub n PHE 94 Ca -0.19 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.11 1tub n PHE 94 Cb 0.51 -0.00 -0.01 0.00 -0.00 0.00 0.00 39.48 39.98 1tub n PHE 94 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1tub n GLY 95 N -0.06 -0.42 0.62 7.13 0.00 -1.26 -1.58 105.19 109.61 1tub n GLY 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1tub n GLY 95 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tub n GLN 96 N -2.85 0.00 0.00 1.61 1.13 -1.26 -4.84 117.38 111.17 1tub n GLN 96 Ca -0.18 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 1tub n GLN 96 Cb 0.63 -0.35 0.00 0.00 0.11 0.00 0.00 30.24 30.64 1tub n GLN 96 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1tub n SER 97 N 0.00 0.00 0.00 1.08 3.41 -0.61 -4.00 113.62 113.50 1tub n SER 97 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1tub n SER 97 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1tub n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tub n GLY 98 N -0.55 0.78 0.92 5.00 0.00 -1.26 -4.84 105.19 105.24 1tub n GLY 98 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1tub n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tub n ALA 99 N -0.81 -1.00 -2.77 4.61 0.00 -1.23 -4.91 120.51 114.40 1tub n ALA 99 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1tub n ALA 99 Cb 0.00 -0.46 -0.16 0.00 0.00 0.00 0.00 19.45 18.84 1tub n ALA 99 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1tub s GLY 100 N -3.20 0.80 -0.24 0.00 0.00 -1.26 -5.07 107.32 98.35 1tub s GLY 100 Ca 0.00 -0.63 -0.19 0.00 0.00 0.00 0.00 44.72 43.90 1tub s GLY 100 CO 0.00 -0.40 0.55 -1.31 0.00 0.00 0.00 173.10 171.94 1tub s ASN 101 N -0.10 6.51 0.00 1.64 0.02 -1.26 -2.90 114.94 118.84 1tub s ASN 101 Ca 0.00 0.62 0.00 0.00 -1.02 0.00 0.00 52.86 52.46 1tub s ASN 101 Cb -0.09 -2.30 0.00 0.00 0.02 0.00 0.00 41.25 38.88 1tub s ASN 101 CO 0.01 -0.28 0.00 0.59 0.02 0.00 0.00 177.10 177.44 1tub n ASN 102 N 5.35 0.00 -0.19 -1.22 3.02 -1.26 -4.86 115.26 116.10 1tub n ASN 102 Ca -0.03 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.51 1tub n ASN 102 Cb 0.50 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.73 1tub n ASN 102 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 1tub h TRP 103 N 0.00 -0.20 0.00 3.10 7.01 -1.85 0.30 115.95 124.31 1tub h TRP 103 Ca 0.00 0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.05 1tub h TRP 103 Cb 0.00 0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 1tub h TRP 103 CO 0.00 -0.21 0.00 0.00 -2.79 0.00 0.00 178.44 175.44 1tub h ALA 104 N 1.55 1.00 -3.00 2.65 0.00 -1.89 -3.16 119.26 116.41 1tub h ALA 104 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1tub h ALA 104 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1tub h ALA 104 CO -0.55 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.33 1tub n LYS 105 N -3.01 0.00 0.13 0.00 5.02 0.10 -0.11 118.16 120.30 1tub n LYS 105 Ca -0.02 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.42 1tub n LYS 105 Cb 0.11 0.00 0.71 0.00 -0.02 0.00 0.00 35.03 35.82 1tub n LYS 105 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1tub h GLY 106 N 0.00 0.00 0.66 0.72 0.00 -1.75 -3.39 103.07 99.32 1tub h GLY 106 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1tub h GLY 106 CO 0.00 0.00 -0.32 0.84 0.00 0.00 0.00 176.54 177.06 1tub h HIS 107 N 0.00 -0.83 0.12 5.60 6.17 -1.26 3.56 115.15 128.52 1tub h HIS 107 Ca 0.13 -0.02 -0.18 0.00 0.71 0.00 0.00 60.37 61.01 1tub h HIS 107 Cb 0.55 0.27 0.02 0.00 2.52 0.00 0.00 27.41 30.77 1tub h HIS 107 CO 0.00 -0.51 -0.80 1.88 0.71 0.00 0.00 177.93 179.20 1tub h TYR 108 N -1.15 0.47 0.00 5.26 0.05 -0.69 -3.34 116.97 117.58 1tub h TYR 108 Ca -0.09 -0.35 0.00 0.00 0.05 0.00 0.00 58.73 58.34 1tub h TYR 108 Cb 0.68 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.40 1tub h TYR 108 CO 0.01 1.31 0.00 0.25 -1.05 0.00 0.00 178.16 178.68 1tub n THR 109 N -4.16 0.00 -0.17 -2.88 -2.24 -0.95 -4.14 114.28 99.75 1tub n THR 109 Ca -0.15 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.59 1tub n THR 109 Cb 0.80 -0.01 0.14 0.00 -2.10 0.00 0.00 70.33 69.16 1tub n THR 109 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1tub h GLU 110 N 0.00 0.92 -0.63 -0.78 5.08 -1.85 -2.78 114.58 114.54 1tub h GLU 110 Ca 0.00 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1tub h GLU 110 Cb 0.00 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1tub h GLU 110 CO 0.00 0.83 0.32 0.78 -1.00 0.00 0.00 179.01 179.94 1tub h GLY 111 N 1.01 0.96 -0.19 -3.84 0.00 0.64 -2.28 103.07 99.38 1tub h GLY 111 Ca 0.19 -0.46 0.16 0.00 0.00 0.00 0.00 47.33 47.22 1tub h GLY 111 CO 0.00 0.44 0.10 0.00 0.00 0.00 0.00 176.54 177.09 1tub h ALA 112 N 1.14 0.87 -0.42 3.60 0.00 -1.17 21.18 119.26 144.47 1tub h ALA 112 Ca 0.22 0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 1tub h ALA 112 Cb 0.09 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1tub h ALA 112 CO -0.03 -0.38 0.05 0.93 0.00 0.00 0.00 179.25 179.82 1tub h GLU 113 N 0.19 0.64 0.04 0.00 5.08 -1.54 -1.88 114.58 117.11 1tub h GLU 113 Ca 0.41 -0.13 -0.34 0.00 -1.00 0.00 0.00 59.36 58.30 1tub h GLU 113 Cb 0.72 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 1tub h GLU 113 CO -0.57 0.62 -2.01 -0.11 -1.00 0.00 0.00 179.01 175.95 1tub n LEU 114 N -4.28 1.61 0.29 1.33 7.94 -0.30 -3.59 117.00 119.99 1tub n LEU 114 Ca 0.02 0.21 0.17 0.00 -1.11 0.00 0.00 56.01 55.30 1tub n LEU 114 Cb 0.23 -0.35 0.90 0.00 0.53 0.00 0.00 43.42 44.73 1tub n LEU 114 CO 0.39 0.63 1.06 0.58 -1.11 0.00 0.00 177.39 178.95 1tub h VAL 115 N 0.02 0.00 0.09 1.96 2.07 4.96 2.25 116.25 127.60 1tub h VAL 115 Ca -0.41 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 66.81 1tub h VAL 115 Cb 2.04 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 1tub h VAL 115 CO 0.05 0.00 -1.58 0.44 0.02 0.00 0.00 177.57 176.50 1tub h ASP 116 N 0.00 0.29 1.10 0.57 3.32 -1.44 -3.34 116.42 116.93 1tub h ASP 116 Ca 0.00 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1tub h ASP 116 Cb 0.25 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1tub h ASP 116 CO 0.00 1.38 0.00 0.77 -1.72 0.00 0.00 179.24 179.67 1tub h SER 117 N 0.05 0.00 1.35 6.45 4.64 0.31 0.04 113.55 126.40 1tub h SER 117 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1tub h SER 117 Cb 2.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.09 1tub h SER 117 CO 0.14 0.00 -0.05 0.52 -0.87 0.00 0.00 176.83 176.57 1tub n VAL 118 N -2.77 0.48 -0.17 0.95 0.31 0.37 -3.41 118.33 114.08 1tub n VAL 118 Ca 0.02 -0.24 -0.09 0.00 -0.01 0.00 0.00 64.34 64.02 1tub n VAL 118 Cb 0.32 -0.53 0.01 0.00 -0.91 0.00 0.00 33.84 32.73 1tub n VAL 118 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1tub h LEU 119 N 0.00 0.74 -0.90 7.52 3.38 -1.10 -3.20 115.31 121.74 1tub h LEU 119 Ca 0.00 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 1tub h LEU 119 Cb 0.70 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1tub h LEU 119 CO 0.00 0.77 -0.03 0.44 0.09 0.00 0.00 178.44 179.70 1tub h ASP 120 N 0.67 0.75 -0.23 -0.43 5.19 -1.65 -0.59 116.42 120.13 1tub h ASP 120 Ca 0.16 -0.19 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 1tub h ASP 120 Cb 0.31 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 1tub h ASP 120 CO -0.00 0.83 0.10 0.58 -3.12 0.00 0.00 179.24 177.63 1tub h VAL 121 N 0.72 1.15 -0.50 -1.35 2.07 -1.67 -2.18 116.25 114.49 1tub h VAL 121 Ca 0.14 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 1tub h VAL 121 Cb 0.48 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1tub h VAL 121 CO 0.02 0.15 0.06 0.58 0.02 0.00 0.00 177.57 178.41 1tub h VAL 122 N 0.23 1.25 0.03 2.57 2.07 -1.49 -2.27 116.25 118.65 1tub h VAL 122 Ca 0.08 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.65 1tub h VAL 122 Cb 0.15 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1tub h VAL 122 CO -0.01 0.34 -0.12 0.03 0.02 0.00 0.00 177.57 177.83 1tub h ARG 123 N 0.72 -0.21 -0.55 1.57 3.08 -0.90 -0.21 114.38 117.88 1tub h ARG 123 Ca 0.15 0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 1tub h ARG 123 Cb 0.42 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1tub h ARG 123 CO 0.01 -0.14 -0.01 0.87 -1.07 0.00 0.00 179.97 179.63 1tub h LYS 124 N -0.22 0.95 -0.02 0.04 1.57 -1.14 -1.20 116.57 116.55 1tub h LYS 124 Ca 0.03 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 1tub h LYS 124 Cb 0.26 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1tub h LYS 124 CO -0.10 0.95 -0.01 0.93 -0.57 0.00 0.00 179.45 180.65 1tub h GLU 125 N 0.87 0.05 -0.87 3.15 5.08 -1.34 -2.92 114.58 118.60 1tub h GLU 125 Ca 0.16 -0.02 0.22 0.00 -1.00 0.00 0.00 59.36 58.72 1tub h GLU 125 Cb 0.53 -0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.64 1tub h GLU 125 CO 0.03 0.41 0.29 0.66 -1.00 0.00 0.00 179.01 179.40 1tub h SER 126 N -0.32 0.13 0.33 1.42 4.64 -0.81 -2.66 113.55 116.27 1tub h SER 126 Ca 0.01 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1tub h SER 126 Cb 0.40 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1tub h SER 126 CO 0.00 -0.08 0.00 -0.33 -0.87 0.00 0.00 176.83 175.55 1tub h GLU 127 N 0.29 0.00 0.00 4.77 5.08 -1.01 -3.41 114.58 120.29 1tub h GLU 127 Ca 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 1tub h GLU 127 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1tub h GLU 127 CO -0.59 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.29 1tub n SER 128 N -2.92 0.06 0.00 1.42 3.41 -1.01 -4.01 113.62 110.57 1tub n SER 128 Ca -0.01 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1tub n SER 128 Cb 0.14 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 1tub n SER 128 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tub s ASP 130 N -2.05 1.40 -0.55 0.00 1.01 -1.26 -5.10 116.67 110.13 1tub s ASP 130 Ca 0.00 -0.84 -0.23 0.00 0.71 0.00 0.00 52.55 52.20 1tub s ASP 130 Cb 0.00 0.02 0.05 0.00 1.01 0.00 0.00 42.92 44.00 1tub s ASP 130 CO 0.00 -0.29 0.85 0.00 0.21 0.00 0.00 175.17 175.94 1tub s LEU 132 N 3.58 4.37 0.00 0.00 1.43 -1.26 -1.12 118.68 125.67 1tub s LEU 132 Ca 0.25 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 1tub s LEU 132 Cb -0.15 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1tub s LEU 132 CO 0.16 -0.46 0.24 1.67 0.23 0.00 0.00 176.35 178.19 1tub n GLN 133 N 3.99 2.00 -4.47 1.70 7.27 -0.15 -4.80 117.38 122.93 1tub n GLN 133 Ca 0.09 -0.24 -0.26 0.00 0.07 0.00 0.00 57.00 56.66 1tub n GLN 133 Cb 0.47 -0.70 -0.13 0.00 2.41 0.00 0.00 30.24 32.28 1tub n GLN 133 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1tub s GLY 134 N -0.35 1.27 -0.34 1.69 0.00 -1.15 -4.73 107.32 103.70 1tub s GLY 134 Ca 0.00 -1.22 0.03 0.00 0.00 0.00 0.00 44.72 43.52 1tub s GLY 134 CO 0.00 -1.19 0.08 -1.36 0.00 0.00 0.00 173.10 170.63 1tub s PHE 135 N -1.00 3.10 -0.19 1.90 0.40 -1.26 -2.63 117.98 118.30 1tub s PHE 135 Ca 0.08 -2.63 -0.06 0.00 -0.60 0.00 0.00 56.93 53.72 1tub s PHE 135 Cb -0.10 -2.55 -0.03 0.00 0.51 0.00 0.00 43.02 40.85 1tub s PHE 135 CO 0.04 -0.92 0.04 -0.65 0.70 0.00 0.00 175.22 174.43 1tub s GLN 136 N 1.04 3.83 -0.03 0.44 -0.21 0.34 -0.95 119.66 124.11 1tub s GLN 136 Ca 0.11 -0.42 -0.01 0.00 0.02 0.00 0.00 55.36 55.06 1tub s GLN 136 Cb -0.19 -3.16 0.03 0.00 1.00 0.00 0.00 33.01 30.69 1tub s GLN 136 CO -0.12 0.16 0.03 -0.51 -2.12 0.00 0.00 175.29 172.73 1tub s LEU 137 N 0.64 0.72 0.09 2.90 1.43 -1.16 0.52 118.68 123.81 1tub s LEU 137 Ca 0.02 0.02 -0.07 0.00 -1.03 0.00 0.00 54.13 53.07 1tub s LEU 137 Cb -0.13 -0.17 -0.05 0.00 0.03 0.00 0.00 46.19 45.86 1tub s LEU 137 CO 0.02 -0.17 0.36 0.42 0.23 0.00 0.00 176.35 177.21 1tub s THR 138 N 1.54 5.17 0.13 5.49 -4.23 -1.08 -1.27 115.64 121.39 1tub s THR 138 Ca -0.03 0.23 -0.25 0.00 -1.18 0.00 0.00 61.69 60.46 1tub s THR 138 Cb -0.13 -3.62 0.07 0.00 1.34 0.00 0.00 72.50 70.16 1tub s THR 138 CO -0.03 0.21 0.88 -2.28 -0.54 0.00 0.00 174.62 172.87 1tub s HIS 139 N -1.47 -0.23 -0.15 3.99 5.04 -1.20 -3.11 115.29 118.16 1tub s HIS 139 Ca 0.35 -0.04 -0.05 0.00 -1.54 0.00 0.00 55.06 53.78 1tub s HIS 139 Cb -0.13 0.61 0.06 0.00 0.04 0.00 0.00 32.58 33.16 1tub s HIS 139 CO 0.20 -0.80 0.08 -1.54 -2.34 0.00 0.00 174.74 170.34 1tub s SER 140 N -2.80 2.19 -0.12 9.88 1.04 -1.26 -1.73 113.70 120.89 1tub s SER 140 Ca 0.09 -0.52 -0.35 0.00 0.48 0.00 0.00 55.95 55.65 1tub s SER 140 Cb -0.02 -0.23 -0.12 0.00 0.10 0.00 0.00 66.02 65.75 1tub s SER 140 CO -0.01 -0.34 1.87 0.18 0.98 0.00 0.00 173.24 175.92 1tub n LEU 141 N 5.28 3.29 0.00 2.42 4.77 0.60 0.97 117.00 134.33 1tub n LEU 141 Ca -0.07 0.99 0.00 0.00 -0.03 0.00 0.00 56.01 56.90 1tub n LEU 141 Cb 0.49 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 1tub n LEU 141 CO 0.10 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1tub n GLY 142 N 4.39 0.85 0.61 -0.72 0.00 -1.26 -4.65 105.19 104.41 1tub n GLY 142 Ca 0.23 -0.59 0.11 0.00 0.00 0.00 0.00 46.02 45.78 1tub n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tub n GLY 143 N -1.73 0.39 0.04 -0.02 0.00 0.27 -4.90 105.19 99.25 1tub n GLY 143 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 46.02 45.55 1tub n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tub n GLY 144 N 1.19 -0.23 0.22 -0.02 0.00 -1.23 -4.09 105.19 101.02 1tub n GLY 144 Ca 0.17 0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.30 1tub n GLY 144 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1tub h THR 145 N 0.00 0.50 0.08 2.61 1.35 -1.72 0.77 112.91 116.50 1tub h THR 145 Ca 0.04 -0.02 -0.23 0.00 -0.55 0.00 0.00 66.41 65.65 1tub h THR 145 Cb 0.06 0.44 0.02 0.00 -1.73 0.00 0.00 68.15 66.94 1tub h THR 145 CO -0.11 0.01 -0.94 1.23 -0.25 0.00 0.00 175.52 175.47 1tub h GLY 146 N 0.06 0.56 1.22 5.82 0.00 -1.87 0.17 103.07 109.04 1tub h GLY 146 Ca 0.28 -1.14 -0.15 0.00 0.00 0.00 0.00 47.33 46.32 1tub h GLY 146 CO -0.51 1.00 -0.35 1.76 0.00 0.00 0.00 176.54 178.43 1tub h SER 147 N 0.04 0.91 0.00 0.19 0.02 -1.09 1.59 113.55 115.20 1tub h SER 147 Ca -0.14 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 1tub h SER 147 Cb 1.65 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.94 1tub h SER 147 CO 0.18 1.17 -0.71 0.61 -1.14 0.00 0.00 176.83 176.94 1tub n GLY 148 N 0.04 0.26 0.07 -3.77 0.00 0.25 -3.99 105.19 98.05 1tub n GLY 148 Ca -0.02 -0.05 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 1tub n GLY 148 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1tub h MET 149 N 0.00 0.02 -0.06 1.61 1.85 -0.07 -1.65 114.93 116.63 1tub h MET 149 Ca 0.00 -0.03 -0.16 0.00 -0.61 0.00 0.00 59.70 58.90 1tub h MET 149 Cb 0.07 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.10 1tub h MET 149 CO 0.00 0.98 -0.66 0.78 -0.40 0.00 0.00 176.91 177.61 1tub h GLY 150 N 2.82 0.27 1.63 1.39 0.00 0.24 -1.19 103.07 108.22 1tub h GLY 150 Ca -0.02 -0.36 -0.18 0.00 0.00 0.00 0.00 47.33 46.78 1tub h GLY 150 CO 0.13 0.32 -0.70 -0.91 0.00 0.00 0.00 176.54 175.37 1tub h THR 151 N 0.17 1.38 0.27 4.70 1.35 -1.69 -0.94 112.91 118.15 1tub h THR 151 Ca -0.01 -2.12 -0.01 0.00 -0.55 0.00 0.00 66.41 63.72 1tub h THR 151 Cb 1.19 2.09 -0.00 0.00 -1.73 0.00 0.00 68.15 69.70 1tub h THR 151 CO 0.10 0.63 -0.15 -0.07 -0.25 0.00 0.00 175.52 175.79 1tub h LEU 152 N 0.26 -0.37 -1.00 3.87 3.38 -1.53 -2.73 115.31 117.19 1tub h LEU 152 Ca -0.02 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1tub h LEU 152 Cb 1.27 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 42.05 1tub h LEU 152 CO 0.12 -0.25 0.64 -0.07 0.09 0.00 0.00 178.44 178.97 1tub h LEU 153 N -0.40 0.99 -0.40 1.67 3.38 -1.23 -2.75 115.31 116.58 1tub h LEU 153 Ca -0.03 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1tub h LEU 153 Cb 0.32 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1tub h LEU 153 CO 0.04 0.59 -0.37 0.40 0.09 0.00 0.00 178.44 179.19 1tub h ILE 154 N 1.10 1.27 0.10 1.22 2.04 -0.99 -2.68 117.51 119.57 1tub h ILE 154 Ca 0.46 -1.54 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 1tub h ILE 154 Cb 0.30 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1tub h ILE 154 CO -0.21 0.52 -0.05 0.77 0.00 0.00 0.00 178.15 179.18 1tub h SER 155 N 0.78 -0.12 -0.85 1.72 4.64 -1.23 0.19 113.55 118.68 1tub h SER 155 Ca 0.07 -0.42 -0.03 0.00 -0.47 0.00 0.00 61.79 60.93 1tub h SER 155 Cb 0.97 0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 63.05 1tub h SER 155 CO 0.09 0.40 0.40 0.11 -0.87 0.00 0.00 176.83 176.97 1tub h LYS 156 N -0.67 1.23 -0.19 4.77 1.57 -1.55 0.39 116.57 122.12 1tub h LYS 156 Ca -0.01 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.49 1tub h LYS 156 Cb 0.53 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1tub h LYS 156 CO 0.02 0.95 -0.27 0.82 -0.57 0.00 0.00 179.45 180.40 1tub h ILE 157 N 1.22 1.26 0.01 1.86 2.04 -1.21 0.41 117.51 123.10 1tub h ILE 157 Ca 0.29 -1.24 -0.20 0.00 1.00 0.00 0.00 64.86 64.72 1tub h ILE 157 Cb 0.13 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1tub h ILE 157 CO -0.04 0.38 -0.90 -0.09 0.00 0.00 0.00 178.15 177.51 1tub h ARG 158 N 0.31 0.15 -0.39 2.37 2.43 -0.26 0.53 114.38 119.53 1tub h ARG 158 Ca 0.05 -0.18 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 1tub h ARG 158 Cb 0.65 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1tub h ARG 158 CO 0.05 0.95 0.03 0.93 -1.51 0.00 0.00 179.97 180.41 1tub h GLU 159 N 0.08 0.67 0.00 0.20 5.08 0.10 -2.37 114.58 118.34 1tub h GLU 159 Ca -0.04 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.01 1tub h GLU 159 Cb 1.54 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 1tub h GLU 159 CO 0.13 0.75 -1.74 0.39 -1.00 0.00 0.00 179.01 177.54 1tub n GLU 160 N -4.49 0.65 -3.02 2.33 1.02 0.13 -4.41 120.64 112.85 1tub n GLU 160 Ca -0.01 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.88 1tub n GLU 160 Cb 0.26 -1.65 -0.04 0.00 -0.02 0.00 0.00 31.44 29.99 1tub n GLU 160 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1tub n TYR 161 N -2.58 3.26 -0.16 -0.32 4.02 0.19 -4.92 117.16 116.64 1tub n TYR 161 Ca -0.10 -3.97 -0.02 0.00 -0.01 0.00 0.00 57.90 53.80 1tub n TYR 161 Cb 0.74 -0.48 0.06 0.00 -0.02 0.00 0.00 39.34 39.64 1tub n TYR 161 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1tub h PRO 162 N 3.07 0.13 -0.63 -0.72 0.13 -1.59 -2.40 132.00 130.00 1tub h PRO 162 Ca 0.13 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.22 1tub h PRO 162 Cb 0.60 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.67 1tub h PRO 162 CO 0.76 0.09 0.28 -0.44 -0.23 0.00 0.00 178.00 178.45 1tub h ASP 163 N 0.13 0.81 -3.19 1.44 5.19 -1.91 -3.40 116.42 115.49 1tub h ASP 163 Ca 0.25 -0.09 -0.70 0.00 -0.62 0.00 0.00 57.03 55.87 1tub h ASP 163 Cb 0.37 -0.21 -0.19 0.00 0.18 0.00 0.00 39.33 39.48 1tub h ASP 163 CO -0.40 0.70 -0.01 -0.13 -3.12 0.00 0.00 179.24 176.28 1tub s ARG 164 N -5.48 3.08 0.32 3.56 0.52 -0.90 -4.98 118.95 115.07 1tub s ARG 164 Ca -0.10 -1.08 -0.29 0.00 -0.52 0.00 0.00 55.73 53.74 1tub s ARG 164 Cb 0.16 -4.14 -0.11 0.00 0.52 0.00 0.00 34.95 31.39 1tub s ARG 164 CO 0.79 -1.25 1.42 0.42 0.02 0.00 0.00 175.30 176.70 1tub s ILE 165 N 2.43 2.44 0.12 1.52 1.01 -1.26 -4.82 121.20 122.63 1tub s ILE 165 Ca 0.12 0.41 -0.26 0.00 0.00 0.00 0.00 60.65 60.92 1tub s ILE 165 Cb -0.21 -3.26 -0.07 0.00 0.01 0.00 0.00 42.46 38.93 1tub s ILE 165 CO 0.10 0.09 0.82 -0.04 0.00 0.00 0.00 174.94 175.90 1tub s MET 166 N -1.38 4.59 -0.35 2.79 -1.94 -1.24 -4.24 119.30 117.53 1tub s MET 166 Ca 0.54 1.20 -0.12 0.00 -1.71 0.00 0.00 55.69 55.60 1tub s MET 166 Cb -0.43 -3.32 -0.00 0.00 2.01 0.00 0.00 34.83 33.08 1tub s MET 166 CO 0.53 0.39 0.22 -0.80 -0.01 0.00 0.00 175.02 175.35 1tub s ASN 167 N -0.53 5.89 -0.09 3.03 0.01 -0.12 -0.37 114.94 122.77 1tub s ASN 167 Ca 0.39 -0.58 0.04 0.00 -0.71 0.00 0.00 52.86 51.99 1tub s ASN 167 Cb -0.22 -2.09 0.00 0.00 0.41 0.00 0.00 41.25 39.35 1tub s ASN 167 CO 0.26 -0.27 -0.20 0.42 -1.51 0.00 0.00 177.10 175.79 1tub s THR 168 N 1.67 1.77 0.39 1.60 -4.23 -1.16 -3.01 115.64 112.68 1tub s THR 168 Ca 0.05 -0.85 -0.26 0.00 -1.18 0.00 0.00 61.69 59.45 1tub s THR 168 Cb -0.18 -1.54 -0.09 0.00 1.34 0.00 0.00 72.50 72.03 1tub s THR 168 CO 0.09 0.50 1.25 -0.36 -0.54 0.00 0.00 174.62 175.56 1tub s PHE 169 N 0.41 2.94 0.15 3.99 0.08 -0.40 -0.47 117.98 124.67 1tub s PHE 169 Ca -0.17 1.47 0.09 0.00 0.12 0.00 0.00 56.93 58.44 1tub s PHE 169 Cb -0.17 -3.57 -0.04 0.00 -0.57 0.00 0.00 43.02 38.67 1tub s PHE 169 CO 0.07 -1.78 -0.21 -1.54 -0.10 0.00 0.00 175.22 171.66 1tub s SER 170 N -0.84 2.82 0.14 1.36 1.04 -0.87 -3.28 113.70 114.07 1tub s SER 170 Ca 0.56 -0.79 0.08 0.00 0.48 0.00 0.00 55.95 56.27 1tub s SER 170 Cb -0.36 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.55 1tub s SER 170 CO 0.46 0.04 -0.18 -0.69 0.98 0.00 0.00 173.24 173.85 1tub s VAL 171 N -1.60 1.66 0.00 5.02 1.01 -0.70 -3.47 120.40 122.32 1tub s VAL 171 Ca 0.13 -1.76 0.00 0.00 0.00 0.00 0.00 61.98 60.35 1tub s VAL 171 Cb -0.08 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1tub s VAL 171 CO 0.06 -0.28 0.00 0.52 0.00 0.00 0.00 175.10 175.41 1tub n VAL 172 N 0.56 0.00 -3.91 2.92 0.31 -1.26 -0.29 118.33 116.66 1tub n VAL 172 Ca -0.15 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.83 1tub n VAL 172 Cb 0.56 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.35 1tub n VAL 172 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1tub s PRO 173 N -1.62 3.20 0.39 5.55 0.04 -1.26 -4.71 135.00 136.58 1tub s PRO 173 Ca 0.00 -0.75 0.08 0.00 0.04 0.00 0.00 61.00 60.37 1tub s PRO 173 Cb 0.00 -3.03 -0.06 0.00 0.04 0.00 0.00 34.50 31.45 1tub s PRO 173 CO 0.00 -0.28 0.11 -1.54 0.04 0.00 0.00 177.00 175.33 1tub s SER 174 N 1.44 4.28 -0.80 6.66 1.04 -1.26 -4.95 113.70 120.11 1tub s SER 174 Ca 0.04 -1.10 -0.28 0.00 0.48 0.00 0.00 55.95 55.09 1tub s SER 174 Cb -0.15 -0.49 -0.28 0.00 0.10 0.00 0.00 66.02 65.21 1tub s SER 174 CO -0.03 -0.45 1.98 -0.81 0.98 0.00 0.00 173.24 174.91 1tub n PRO 175 N -1.12 0.07 0.00 4.02 -0.05 -1.26 -3.01 135.00 133.65 1tub n PRO 175 Ca -0.03 -1.52 0.00 0.00 -0.05 0.00 0.00 63.50 61.90 1tub n PRO 175 Cb 0.64 -3.57 0.00 0.00 -0.05 0.00 0.00 33.50 30.52 1tub n PRO 175 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 1tub n LYS 176 N 8.09 0.00 0.00 0.54 4.76 -1.26 -5.06 118.16 125.24 1tub n LYS 176 Ca 0.42 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.86 1tub n LYS 176 Cb 0.46 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.65 1tub n LYS 176 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1tub n VAL 177 N -1.52 0.00 -3.84 -0.18 0.24 -1.16 -5.05 118.33 106.82 1tub n VAL 177 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 1tub n VAL 177 Cb 0.00 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.27 1tub n VAL 177 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1tub s SER 178 N 0.00 -0.05 0.42 -1.34 1.04 -1.26 -5.08 113.70 107.42 1tub s SER 178 Ca 0.00 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1tub s SER 178 Cb 0.00 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1tub s SER 178 CO 0.00 -0.32 0.00 0.47 0.98 0.00 0.00 173.24 174.37 1tub n ASP 179 N 1.72 0.00 0.00 7.02 9.92 -1.26 -4.43 116.55 129.51 1tub n ASP 179 Ca -0.21 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.05 1tub n ASP 179 Cb 0.56 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.04 1tub n ASP 179 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1tub n THR 180 N 0.00 0.00 0.65 -3.53 -2.24 -1.26 -4.83 114.28 103.07 1tub n THR 180 Ca 0.00 -0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1tub n THR 180 Cb 0.00 0.48 0.44 0.00 -2.10 0.00 0.00 70.33 69.15 1tub n THR 180 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1tub n VAL 181 N -1.42 0.55 -2.09 2.28 0.31 -1.26 -3.98 118.33 112.71 1tub n VAL 181 Ca 0.00 -0.17 -0.42 0.00 -0.01 0.00 0.00 64.34 63.74 1tub n VAL 181 Cb 0.00 -0.66 -0.01 0.00 -0.91 0.00 0.00 33.84 32.27 1tub n VAL 181 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1tub n VAL 182 N -2.14 3.48 0.00 2.52 0.31 -1.26 -1.46 118.33 119.78 1tub n VAL 182 Ca 0.05 -3.35 0.00 0.00 -0.01 0.00 0.00 64.34 61.03 1tub n VAL 182 Cb 0.39 -2.45 0.00 0.00 -0.91 0.00 0.00 33.84 30.87 1tub n VAL 182 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1tub n GLU 183 N 7.31 0.00 -0.25 5.55 -0.58 -1.26 -4.89 120.64 126.54 1tub n GLU 183 Ca 0.50 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 57.21 1tub n GLU 183 Cb 0.43 -0.27 0.13 0.00 -0.57 0.00 0.00 31.44 31.16 1tub n GLU 183 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1tub h PRO 184 N 0.00 1.08 -0.57 3.49 0.11 -1.77 -2.98 132.00 131.36 1tub h PRO 184 Ca 0.00 -0.17 0.12 0.00 0.11 0.00 0.00 66.00 66.06 1tub h PRO 184 Cb 0.00 -0.19 -0.11 0.00 0.11 0.00 0.00 31.00 30.81 1tub h PRO 184 CO 0.00 0.85 -0.11 -0.92 -0.21 0.00 0.00 178.00 177.61 1tub h TYR 185 N 1.06 -0.24 -0.00 0.65 5.03 -1.60 0.87 116.97 122.75 1tub h TYR 185 Ca 0.25 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.61 1tub h TYR 185 Cb 0.15 0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.62 1tub h TYR 185 CO 0.01 -0.22 -0.11 0.09 -1.32 0.00 0.00 178.16 176.61 1tub n ASN 186 N -5.37 0.14 0.03 -2.11 3.02 -1.18 -1.52 115.26 108.28 1tub n ASN 186 Ca 0.07 0.20 -0.07 0.00 -0.03 0.00 0.00 54.58 54.75 1tub n ASN 186 Cb 0.31 -0.29 -0.12 0.00 -0.61 0.00 0.00 39.78 39.07 1tub n ASN 186 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1tub h ALA 187 N 3.09 0.57 0.05 5.41 0.00 0.68 -1.77 119.26 127.27 1tub h ALA 187 Ca 0.00 -1.10 -0.25 0.00 0.00 0.00 0.00 54.91 53.56 1tub h ALA 187 Cb 0.47 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1tub h ALA 187 CO 0.00 1.32 -1.19 1.79 0.00 0.00 0.00 179.25 181.17 1tub h THR 188 N 0.00 1.51 0.00 0.00 1.35 -0.25 0.02 112.91 115.55 1tub h THR 188 Ca -0.13 -3.19 0.00 0.00 -0.55 0.00 0.00 66.41 62.54 1tub h THR 188 Cb 1.83 2.82 0.00 0.00 -1.73 0.00 0.00 68.15 71.07 1tub h THR 188 CO 0.10 0.89 0.15 -0.07 -0.25 0.00 0.00 175.52 176.34 1tub h LEU 189 N 0.03 0.00 0.00 3.87 3.38 -1.16 -2.95 115.31 118.48 1tub h LEU 189 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1tub h LEU 189 Cb 1.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.62 1tub h LEU 189 CO 0.15 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.14 1tub n SER 190 N -2.29 0.00 -0.64 -0.43 3.41 -0.05 -2.31 113.62 111.31 1tub n SER 190 Ca -0.01 0.46 0.49 0.00 -0.26 0.00 0.00 58.87 59.56 1tub n SER 190 Cb 0.18 -0.50 0.79 0.00 -0.26 0.00 0.00 64.21 64.42 1tub n SER 190 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1tub h VAL 191 N 0.00 0.03 0.00 -3.33 2.07 -1.25 23.60 116.25 137.37 1tub h VAL 191 Ca 0.00 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1tub h VAL 191 Cb 0.00 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1tub h VAL 191 CO 0.00 0.00 -0.00 -0.74 0.02 0.00 0.00 177.57 176.85 1tub h HIS 192 N 0.01 0.00 0.00 1.57 -0.00 -1.66 -3.30 115.15 111.77 1tub h HIS 192 Ca 0.91 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 61.26 1tub h HIS 192 Cb 3.49 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 30.89 1tub h HIS 192 CO -0.00 0.00 -1.06 1.04 -0.00 0.00 0.00 177.93 177.91 1tub n GLN 193 N -3.10 0.61 0.00 5.26 6.02 7.15 -2.36 117.38 130.95 1tub n GLN 193 Ca 0.04 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 1tub n GLN 193 Cb 0.52 -1.82 0.00 0.00 1.02 0.00 0.00 30.24 29.95 1tub n GLN 193 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1tub n LEU 194 N -2.70 1.06 0.00 1.08 4.77 -1.08 -4.62 117.00 115.52 1tub n LEU 194 Ca -0.01 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1tub n LEU 194 Cb 0.58 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1tub n LEU 194 CO 0.40 -0.28 0.00 0.52 -1.33 0.00 0.00 177.39 176.70 1tub n VAL 195 N -1.35 0.00 -1.94 4.08 0.31 -1.26 -2.27 118.33 115.90 1tub n VAL 195 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 1tub n VAL 195 Cb 0.00 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 32.99 1tub n VAL 195 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1tub n GLU 196 N -1.57 0.42 -1.78 5.55 -0.58 -1.00 -4.88 120.64 116.80 1tub n GLU 196 Ca 0.00 -1.87 -0.15 0.00 -0.42 0.00 0.00 57.16 54.73 1tub n GLU 196 Cb 0.00 -0.66 -0.04 0.00 -0.57 0.00 0.00 31.44 30.17 1tub n GLU 196 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1tub n ASN 197 N -0.23 -4.62 -4.59 1.62 2.85 -1.26 -3.80 115.26 105.23 1tub n ASN 197 Ca 0.07 0.20 -0.41 0.00 -0.11 0.00 0.00 54.58 54.33 1tub n ASN 197 Cb 0.83 -3.56 -0.07 0.00 1.24 0.00 0.00 39.78 38.22 1tub n ASN 197 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1tub s THR 198 N -2.62 4.93 -0.07 -0.44 -4.23 -1.26 -3.65 115.64 108.30 1tub s THR 198 Ca 0.00 0.74 -0.05 0.00 -1.18 0.00 0.00 61.69 61.20 1tub s THR 198 Cb 0.00 -4.02 -0.03 0.00 1.34 0.00 0.00 72.50 69.80 1tub s THR 198 CO 0.00 -0.19 0.22 -0.78 -0.54 0.00 0.00 174.62 173.33 1tub h ASP 199 N 8.29 -0.15 -3.15 3.99 1.82 -1.03 -3.45 116.42 122.74 1tub h ASP 199 Ca -0.27 0.01 -0.46 0.00 -0.39 0.00 0.00 57.03 55.92 1tub h ASP 199 Cb 1.12 0.04 -0.14 0.00 0.68 0.00 0.00 39.33 41.02 1tub h ASP 199 CO 0.81 0.26 -0.69 -1.61 -1.61 0.00 0.00 179.24 176.40 1tub s GLU 200 N -2.08 1.45 -0.20 0.28 2.02 -0.98 -4.21 118.70 114.98 1tub s GLU 200 Ca -0.03 -1.71 -0.07 0.00 0.02 0.00 0.00 54.97 53.18 1tub s GLU 200 Cb 0.00 -1.07 0.09 0.00 0.10 0.00 0.00 34.13 33.25 1tub s GLU 200 CO 0.08 0.06 0.43 0.95 0.02 0.00 0.00 175.26 176.80 1tub s THR 201 N -3.06 -0.57 0.15 3.63 -4.23 -1.23 -2.96 115.64 107.37 1tub s THR 201 Ca 0.27 0.15 0.02 0.00 -1.18 0.00 0.00 61.69 60.94 1tub s THR 201 Cb 0.03 -0.68 -0.04 0.00 1.34 0.00 0.00 72.50 73.15 1tub s THR 201 CO 0.10 0.06 0.30 -0.31 -0.54 0.00 0.00 174.62 174.23 1tub s TYR 202 N 2.44 3.49 0.10 3.99 2.02 0.38 -0.94 117.35 128.83 1tub s TYR 202 Ca -0.03 0.17 0.09 0.00 -0.37 0.00 0.00 57.07 56.93 1tub s TYR 202 Cb -0.11 -1.71 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 1tub s TYR 202 CO -0.13 0.50 -0.22 0.00 -1.57 0.00 0.00 175.55 174.12 1tub n ILE 204 N 1.15 0.00 -2.04 0.00 5.41 -1.23 -4.48 119.36 118.17 1tub n ILE 204 Ca -0.19 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.15 1tub n ILE 204 Cb 0.53 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.44 1tub n ILE 204 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1tub s ASP 205 N 0.00 6.69 0.34 4.38 1.11 -1.26 -4.34 116.67 123.59 1tub s ASP 205 Ca 0.00 2.60 0.24 0.00 0.18 0.00 0.00 52.55 55.58 1tub s ASP 205 Cb 0.00 -2.61 0.56 0.00 1.07 0.00 0.00 42.92 41.94 1tub s ASP 205 CO 0.00 -0.69 1.69 0.78 1.18 0.00 0.00 175.17 178.13 1tub h ASN 206 N 5.45 0.00 1.78 0.27 2.35 -1.93 -1.70 115.58 121.80 1tub h ASN 206 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1tub h ASN 206 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.58 1tub h ASN 206 CO 0.80 0.00 -0.13 -0.08 -1.65 0.00 0.00 177.43 176.37 1tub h GLU 207 N 0.00 0.00 0.00 0.81 4.57 -1.93 -3.22 114.58 114.81 1tub h GLU 207 Ca 0.00 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.99 1tub h GLU 207 Cb 0.88 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.43 1tub h GLU 207 CO 0.00 0.00 -2.04 0.00 -1.18 0.00 0.00 179.01 175.79 1tub n ALA 208 N -2.05 2.08 0.24 2.92 0.00 -1.18 -4.24 120.51 118.27 1tub n ALA 208 Ca 0.04 -0.87 0.08 0.00 0.00 0.00 0.00 53.44 52.68 1tub n ALA 208 Cb 0.51 -0.55 0.59 0.00 0.00 0.00 0.00 19.45 20.00 1tub n ALA 208 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1tub h LEU 209 N 0.00 0.00 0.07 0.00 3.38 -1.32 -2.83 115.31 114.62 1tub h LEU 209 Ca -0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1tub h LEU 209 Cb 1.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1tub h LEU 209 CO 0.02 0.16 -0.04 1.88 0.09 0.00 0.00 178.44 180.56 1tub h TYR 210 N 0.00 -0.09 -0.98 1.13 0.05 -1.73 -1.61 116.97 113.73 1tub h TYR 210 Ca -0.00 -0.00 0.28 0.00 0.05 0.00 0.00 58.73 59.06 1tub h TYR 210 Cb 0.32 0.03 -0.18 0.00 1.01 0.00 0.00 36.73 37.91 1tub h TYR 210 CO 0.00 0.45 0.06 -0.25 -1.05 0.00 0.00 178.16 177.37 1tub n ASP 211 N -4.85 -0.07 -0.01 3.88 8.00 -1.07 -1.16 116.55 121.26 1tub n ASP 211 Ca -0.08 1.67 -0.13 0.00 0.71 0.00 0.00 54.79 56.96 1tub n ASP 211 Cb 0.29 -0.63 -0.08 0.00 -0.02 0.00 0.00 41.12 40.68 1tub n ASP 211 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1tub h ILE 212 N 0.00 1.29 0.00 0.53 2.04 -1.50 0.16 117.51 120.03 1tub h ILE 212 Ca 0.62 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1tub h ILE 212 Cb 1.32 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 1tub h ILE 212 CO -0.91 0.24 0.00 0.00 0.00 0.00 0.00 178.15 177.48 1tub n PHE 214 N 0.29 0.00 0.00 0.00 7.35 -0.84 -4.38 117.46 119.88 1tub n PHE 214 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1tub n PHE 214 Cb 0.35 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.18 1tub n PHE 214 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1tub n ARG 215 N 0.00 0.00 -0.19 -4.13 1.74 0.55 -4.54 116.66 110.09 1tub n ARG 215 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1tub n ARG 215 Cb 0.00 -0.24 0.10 0.00 -1.02 0.00 0.00 32.46 31.29 1tub n ARG 215 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1tub h THR 216 N 0.00 0.61 -2.87 0.55 1.35 -1.66 -3.41 112.91 107.48 1tub h THR 216 Ca 0.00 -0.07 -0.47 0.00 -0.55 0.00 0.00 66.41 65.32 1tub h THR 216 Cb 0.00 0.39 0.02 0.00 -1.73 0.00 0.00 68.15 66.83 1tub h THR 216 CO 0.00 0.04 -0.12 -0.76 -0.25 0.00 0.00 175.52 174.42 1tub s LEU 217 N -10.56 3.85 -0.25 3.87 1.43 -0.82 -3.81 118.68 112.38 1tub s LEU 217 Ca -0.13 0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 53.39 1tub s LEU 217 Cb 0.18 -3.33 -0.15 0.00 0.03 0.00 0.00 46.19 42.92 1tub s LEU 217 CO 0.74 -0.46 -0.26 1.17 0.23 0.00 0.00 176.35 177.76 1tub n LYS 218 N -1.94 0.60 -0.66 1.70 4.81 -1.26 -3.20 118.16 118.20 1tub n LYS 218 Ca -0.02 0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1tub n LYS 218 Cb 0.57 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 34.14 1tub n LYS 218 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1tub n LEU 219 N -3.53 0.00 0.08 3.14 4.77 -1.26 -4.68 117.00 115.52 1tub n LEU 219 Ca -0.47 0.44 -0.10 0.00 -0.03 0.00 0.00 56.01 55.86 1tub n LEU 219 Cb 0.94 -0.66 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 1tub n LEU 219 CO 0.18 -0.15 0.16 0.71 -1.33 0.00 0.00 177.39 176.96 1tub h THR 220 N 1.58 1.56 -3.03 -5.08 1.35 -1.98 -3.42 112.91 103.89 1tub h THR 220 Ca 0.00 -2.93 -0.56 0.00 -0.55 0.00 0.00 66.41 62.36 1tub h THR 220 Cb 0.00 2.67 -0.40 0.00 -1.73 0.00 0.00 68.15 68.69 1tub h THR 220 CO 0.00 0.85 -0.76 0.42 -0.25 0.00 0.00 175.52 175.77 1tub s THR 221 N -2.95 0.53 0.00 6.82 -4.23 -1.26 -5.14 115.64 109.40 1tub s THR 221 Ca -0.02 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 1tub s THR 221 Cb 0.09 -1.41 0.00 0.00 1.34 0.00 0.00 72.50 72.53 1tub s THR 221 CO 0.84 -0.68 0.00 -0.81 -0.54 0.00 0.00 174.62 173.42 1tub n PRO 222 N 5.00 1.06 -3.58 3.99 -0.04 -1.26 -5.03 135.00 135.14 1tub n PRO 222 Ca -0.04 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.36 1tub n PRO 222 Cb 0.42 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.85 1tub n PRO 222 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1tub s THR 223 N 0.00 0.00 0.23 0.52 -4.23 -1.26 -4.96 115.64 105.94 1tub s THR 223 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.49 1tub s THR 223 Cb 0.00 -1.00 0.03 0.00 1.34 0.00 0.00 72.50 72.87 1tub s THR 223 CO 0.00 0.00 1.64 1.88 -0.54 0.00 0.00 174.62 177.60 1tub h TYR 224 N 2.21 0.76 0.00 3.99 0.05 -1.99 -1.35 116.97 120.63 1tub h TYR 224 Ca -0.14 -0.18 -0.10 0.00 0.05 0.00 0.00 58.73 58.36 1tub h TYR 224 Cb 1.18 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.73 1tub h TYR 224 CO 0.27 0.87 -0.46 0.78 -1.05 0.00 0.00 178.16 178.56 1tub h GLY 225 N 0.99 0.00 2.00 3.88 0.00 -2.01 -2.98 103.07 104.96 1tub h GLY 225 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.29 1tub h GLY 225 CO 0.06 0.00 -0.55 -1.80 0.00 0.00 0.00 176.54 174.25 1tub h ASP 226 N 0.00 0.00 0.47 0.19 1.82 -1.87 -0.35 116.42 116.68 1tub h ASP 226 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1tub h ASP 226 Cb 0.93 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.94 1tub h ASP 226 CO 0.06 0.55 0.00 0.25 -1.61 0.00 0.00 179.24 178.49 1tub h LEU 227 N 0.00 0.00 -0.12 2.28 5.85 -1.09 -1.02 115.31 121.21 1tub h LEU 227 Ca -0.01 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.51 1tub h LEU 227 Cb 1.13 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1tub h LEU 227 CO 0.07 0.00 -0.96 0.78 -0.34 0.00 0.00 178.44 177.99 1tub h ASN 228 N 0.00 0.08 0.00 1.25 2.35 -1.09 -2.59 115.58 115.57 1tub h ASN 228 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1tub h ASN 228 Cb 0.23 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 1tub h ASN 228 CO 0.00 0.99 -0.00 0.45 -1.65 0.00 0.00 177.43 177.22 1tub h HIS 229 N 0.02 -0.00 -0.42 1.19 3.86 -1.18 -3.07 115.15 115.54 1tub h HIS 229 Ca -0.03 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1tub h HIS 229 Cb 1.68 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 30.10 1tub h HIS 229 CO 0.01 -0.00 -0.25 -0.11 0.86 0.00 0.00 177.93 178.44 1tub n LEU 230 N -2.40 -0.45 -0.30 2.43 7.94 -0.99 -1.42 117.00 121.81 1tub n LEU 230 Ca -0.00 0.84 -0.05 0.00 -1.11 0.00 0.00 56.01 55.69 1tub n LEU 230 Cb 0.00 -0.14 0.07 0.00 0.53 0.00 0.00 43.42 43.88 1tub n LEU 230 CO 0.00 -0.66 1.09 0.58 -1.11 0.00 0.00 177.39 177.29 1tub h VAL 231 N 0.00 1.26 -1.11 1.96 2.07 -1.62 -1.49 116.25 117.32 1tub h VAL 231 Ca 0.07 -0.76 0.31 0.00 0.82 0.00 0.00 66.70 67.15 1tub h VAL 231 Cb 0.17 0.23 -0.11 0.00 -1.52 0.00 0.00 31.29 30.07 1tub h VAL 231 CO -0.40 0.32 0.71 0.77 0.02 0.00 0.00 177.57 178.99 1tub h SER 232 N 1.18 0.39 0.16 0.57 4.64 -1.14 0.35 113.55 119.70 1tub h SER 232 Ca 0.28 0.10 0.01 0.00 -0.47 0.00 0.00 61.79 61.71 1tub h SER 232 Cb 0.15 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 1tub h SER 232 CO -0.03 0.00 -0.20 0.00 -0.87 0.00 0.00 176.83 175.73 1tub h ALA 233 N 1.63 -0.37 0.00 5.18 0.00 -1.34 0.75 119.26 125.10 1tub h ALA 233 Ca 0.66 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.47 1tub h ALA 233 Cb 1.80 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.89 1tub h ALA 233 CO -0.35 -0.74 -0.26 1.15 0.00 0.00 0.00 179.25 179.05 1tub h THR 234 N -0.41 0.94 0.07 0.00 2.02 -0.35 -2.90 112.91 112.28 1tub h THR 234 Ca 0.01 -0.97 -0.27 0.00 0.77 0.00 0.00 66.41 65.95 1tub h THR 234 Cb 0.40 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 1tub h THR 234 CO -0.08 0.25 -1.45 0.24 0.37 0.00 0.00 175.52 174.85 1tub h MET 235 N 0.00 0.15 -0.79 6.66 2.86 -1.14 -3.36 114.93 119.32 1tub h MET 235 Ca -0.00 -0.26 0.09 0.00 -2.06 0.00 0.00 59.70 57.46 1tub h MET 235 Cb 0.54 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.24 1tub h MET 235 CO 0.03 1.13 0.51 0.66 1.06 0.00 0.00 176.91 180.30 1tub h SER 236 N -0.48 0.67 -0.65 1.22 4.64 -0.65 1.69 113.55 119.99 1tub h SER 236 Ca -0.34 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 60.92 1tub h SER 236 Cb 1.64 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 63.58 1tub h SER 236 CO -0.03 0.41 0.12 1.23 -0.87 0.00 0.00 176.83 177.68 1tub h GLY 237 N 0.74 1.15 0.07 -0.77 0.00 -1.72 1.47 103.07 104.02 1tub h GLY 237 Ca 0.36 -0.75 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1tub h GLY 237 CO -0.13 0.70 -0.03 -2.08 0.00 0.00 0.00 176.54 175.00 1tub h VAL 238 N 0.98 0.43 0.17 4.60 2.07 -1.16 -2.24 116.25 121.09 1tub h VAL 238 Ca 0.20 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1tub h VAL 238 Cb 0.42 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1tub h VAL 238 CO 0.01 0.14 -0.08 0.71 0.02 0.00 0.00 177.57 178.37 1tub h THR 239 N -1.00 0.00 -0.04 2.57 1.35 0.24 -3.37 112.91 112.66 1tub h THR 239 Ca -0.01 -0.33 0.01 0.00 -0.55 0.00 0.00 66.41 65.53 1tub h THR 239 Cb 0.29 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.70 1tub h THR 239 CO 0.01 0.00 0.00 0.74 -0.25 0.00 0.00 175.52 176.02 1tub h THR 240 N -0.55 0.98 -2.99 6.82 2.02 -1.01 -3.40 112.91 114.78 1tub h THR 240 Ca -0.02 -0.01 -0.55 0.00 0.77 0.00 0.00 66.41 66.61 1tub h THR 240 Cb 0.17 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1tub h THR 240 CO 0.04 0.00 0.77 0.00 0.37 0.00 0.00 175.52 176.70 1tub n LEU 242 N 5.19 0.00 0.02 0.00 4.77 -1.26 -4.52 117.00 121.20 1tub n LEU 242 Ca 0.12 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.89 1tub n LEU 242 Cb 0.45 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.39 1tub n LEU 242 CO 0.57 0.00 -0.73 0.03 -1.33 0.00 0.00 177.39 175.93 1tub h ARG 243 N 1.74 0.27 -7.38 3.23 3.08 -1.38 -3.41 114.38 110.53 1tub h ARG 243 Ca 0.00 -0.46 -0.47 0.00 0.07 0.00 0.00 59.98 59.12 1tub h ARG 243 Cb 0.00 0.17 0.08 0.00 0.08 0.00 0.00 29.97 30.30 1tub h ARG 243 CO 0.00 1.18 0.29 0.12 -1.07 0.00 0.00 179.97 180.49 1tub s PHE 244 N -2.57 3.02 0.00 3.04 5.36 0.42 -4.98 117.98 122.28 1tub s PHE 244 Ca -0.20 0.62 0.00 0.00 -0.96 0.00 0.00 56.93 56.40 1tub s PHE 244 Cb 0.06 -3.20 0.00 0.00 -0.34 0.00 0.00 43.02 39.54 1tub s PHE 244 CO 0.79 -1.40 0.00 -2.30 -1.46 0.00 0.00 175.22 170.85 1tub n PRO 245 N -2.99 0.96 0.00 10.12 -0.01 -1.26 -4.76 135.00 137.06 1tub n PRO 245 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.56 1tub n PRO 245 Cb 0.60 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 34.09 1tub n PRO 245 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1tub n GLY 246 N 0.00 3.61 3.76 -1.23 0.00 -1.26 -4.45 105.19 105.61 1tub n GLY 246 Ca 0.00 -1.48 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 1tub n GLY 246 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tub s GLN 247 N -5.24 4.40 0.00 1.61 -0.21 -1.15 -4.42 119.66 114.65 1tub s GLN 247 Ca 0.00 0.90 0.00 0.00 0.02 0.00 0.00 55.36 56.28 1tub s GLN 247 Cb 0.00 -3.34 0.00 0.00 1.00 0.00 0.00 33.01 30.67 1tub s GLN 247 CO 0.00 0.36 0.00 -0.11 -2.12 0.00 0.00 175.29 173.42 1tub n LEU 248 N 2.62 0.00 -4.38 2.90 7.94 -1.24 -3.70 117.00 121.14 1tub n LEU 248 Ca -0.05 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.53 1tub n LEU 248 Cb 0.50 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.31 1tub n LEU 248 CO 0.45 0.00 -0.52 0.54 -1.11 0.00 0.00 177.39 176.75 1tub s ASN 249 N 0.00 3.48 -0.26 1.96 4.22 -1.26 -1.94 114.94 121.14 1tub s ASN 249 Ca 0.00 -0.36 -0.01 0.00 -2.14 0.00 0.00 52.86 50.36 1tub s ASN 249 Cb 0.00 -0.63 0.04 0.00 1.28 0.00 0.00 41.25 41.94 1tub s ASN 249 CO 0.00 0.32 -0.07 0.00 -2.04 0.00 0.00 177.10 175.31 1tub s ALA 250 N -0.59 2.67 0.61 3.54 0.00 -1.26 -5.03 121.76 121.69 1tub s ALA 250 Ca 0.09 -1.57 -0.13 0.00 0.00 0.00 0.00 51.96 50.35 1tub s ALA 250 Cb -0.11 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 1tub s ALA 250 CO 0.00 -0.95 1.03 -0.51 0.00 0.00 0.00 175.76 175.33 1tub s ASP 251 N 1.27 6.02 0.54 0.00 1.11 -1.26 -4.66 116.67 119.68 1tub s ASP 251 Ca -0.02 1.60 0.44 0.00 0.18 0.00 0.00 52.55 54.74 1tub s ASP 251 Cb -0.18 -2.50 1.64 0.00 1.07 0.00 0.00 42.92 42.95 1tub s ASP 251 CO -0.04 -1.00 1.65 -0.07 1.18 0.00 0.00 175.17 176.88 1tub h LEU 252 N 0.07 0.04 -0.83 1.23 3.38 -1.89 3.42 115.31 120.73 1tub h LEU 252 Ca -0.45 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 1tub h LEU 252 Cb 1.20 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1tub h LEU 252 CO 0.60 -0.02 -0.16 -0.09 0.09 0.00 0.00 178.44 178.86 1tub h ARG 253 N 0.02 0.00 0.00 1.13 2.43 -1.89 0.62 114.38 116.69 1tub h ARG 253 Ca 0.81 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.92 1tub h ARG 253 Cb 3.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 32.70 1tub h ARG 253 CO -0.07 0.16 -0.32 0.87 -1.51 0.00 0.00 179.97 179.10 1tub h LYS 254 N 0.00 0.00 -0.59 0.20 1.57 0.61 -1.52 116.57 116.84 1tub h LYS 254 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1tub h LYS 254 Cb 0.82 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 1tub h LYS 254 CO 0.02 0.32 0.15 -0.07 -0.57 0.00 0.00 179.45 179.30 1tub h LEU 255 N 0.00 0.85 0.00 2.94 3.38 -0.75 -0.08 115.31 121.65 1tub h LEU 255 Ca -0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1tub h LEU 255 Cb 0.61 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1tub h LEU 255 CO 0.04 0.83 -0.59 0.00 0.09 0.00 0.00 178.44 178.81 1tub h ALA 256 N 1.28 0.71 0.00 1.53 0.00 -1.08 -3.16 119.26 118.54 1tub h ALA 256 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1tub h ALA 256 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1tub h ALA 256 CO -0.00 0.01 -1.40 0.28 0.00 0.00 0.00 179.25 178.14 1tub n VAL 257 N -2.86 0.22 0.11 0.00 0.31 -1.09 -3.62 118.33 111.40 1tub n VAL 257 Ca 0.02 -0.42 -0.22 0.00 -0.01 0.00 0.00 64.34 63.71 1tub n VAL 257 Cb 0.55 0.01 -0.15 0.00 -0.91 0.00 0.00 33.84 33.34 1tub n VAL 257 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1tub h ASN 258 N 0.00 0.67 0.00 4.52 -0.26 -1.09 -3.39 115.58 116.02 1tub h ASN 258 Ca 0.00 -0.83 -0.17 0.00 -0.56 0.00 0.00 56.30 54.74 1tub h ASN 258 Cb 0.90 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.91 1tub h ASN 258 CO 0.00 1.67 -2.06 0.23 -1.06 0.00 0.00 177.43 176.21 1tub n MET 259 N -3.62 0.84 -3.54 0.81 2.81 -1.19 -4.66 117.12 108.56 1tub n MET 259 Ca -0.19 -0.09 -0.36 0.00 -1.81 0.00 0.00 57.70 55.25 1tub n MET 259 Cb 1.08 -1.46 -0.07 0.00 -0.71 0.00 0.00 33.22 32.06 1tub n MET 259 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1tub s VAL 260 N -2.87 5.31 -0.42 2.03 1.01 -1.24 -4.80 120.40 119.42 1tub s VAL 260 Ca -0.08 0.51 0.05 0.00 0.00 0.00 0.00 61.98 62.46 1tub s VAL 260 Cb 0.09 -3.62 0.43 0.00 0.00 0.00 0.00 36.38 33.28 1tub s VAL 260 CO 0.77 0.37 1.25 -0.81 0.00 0.00 0.00 175.10 176.68 1tub n PRO 261 N 3.72 3.42 0.00 2.72 -0.05 -1.26 -4.57 135.00 138.98 1tub n PRO 261 Ca -0.12 -4.25 0.00 0.00 -0.05 0.00 0.00 63.50 59.08 1tub n PRO 261 Cb 0.52 -2.27 0.00 0.00 -0.05 0.00 0.00 33.50 31.70 1tub n PRO 261 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 1tub n PHE 262 N -0.60 0.00 -0.01 0.54 3.01 -1.26 -5.07 117.46 114.07 1tub n PHE 262 Ca 0.43 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.71 1tub n PHE 262 Cb 0.75 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 40.14 1tub n PHE 262 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1tub h PRO 263 N 0.00 0.77 -7.01 -1.08 0.14 -2.00 -3.44 132.00 119.37 1tub h PRO 263 Ca 0.00 -0.66 -0.55 0.00 0.14 0.00 0.00 66.00 64.93 1tub h PRO 263 Cb 0.00 0.15 0.18 0.00 0.14 0.00 0.00 31.00 31.47 1tub h PRO 263 CO 0.00 1.26 0.12 0.54 0.14 0.00 0.00 178.00 180.06 1tub n ARG 264 N -3.94 0.34 -1.65 0.86 1.74 -1.26 -4.65 116.66 108.10 1tub n ARG 264 Ca -0.08 0.18 -0.40 0.00 -0.77 0.00 0.00 57.85 56.78 1tub n ARG 264 Cb 0.77 -2.26 -0.03 0.00 -1.02 0.00 0.00 32.46 29.92 1tub n ARG 264 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1tub s LEU 265 N -3.74 3.42 -0.05 0.55 2.96 -0.96 -4.88 118.68 115.97 1tub s LEU 265 Ca 0.72 1.36 -0.30 0.00 -0.22 0.00 0.00 54.13 55.69 1tub s LEU 265 Cb -0.32 -2.98 -0.03 0.00 0.50 0.00 0.00 46.19 43.36 1tub s LEU 265 CO 0.52 -2.40 1.11 -1.00 -1.32 0.00 0.00 176.35 173.26 1tub s HIS 266 N 10.05 3.38 0.07 5.38 3.76 -1.26 -4.84 115.29 131.82 1tub s HIS 266 Ca 0.95 1.40 0.03 0.00 -0.15 0.00 0.00 55.06 57.29 1tub s HIS 266 Cb -0.23 -3.31 -0.04 0.00 1.11 0.00 0.00 32.58 30.11 1tub s HIS 266 CO 0.30 -0.81 0.07 -0.06 -0.85 0.00 0.00 174.74 173.38 1tub s PHE 267 N 1.87 3.17 0.19 1.40 0.08 -1.26 -3.52 117.98 119.91 1tub s PHE 267 Ca 0.53 0.08 0.01 0.00 0.12 0.00 0.00 56.93 57.67 1tub s PHE 267 Cb -0.23 -1.62 -0.05 0.00 -0.57 0.00 0.00 43.02 40.56 1tub s PHE 267 CO 0.22 0.52 0.05 -0.06 -0.10 0.00 0.00 175.22 175.85 1tub s PHE 268 N -1.35 1.24 0.04 0.36 0.08 -0.11 -4.25 117.98 113.98 1tub s PHE 268 Ca 0.28 -1.13 0.07 0.00 0.12 0.00 0.00 56.93 56.27 1tub s PHE 268 Cb -0.12 -0.70 -0.03 0.00 -0.57 0.00 0.00 43.02 41.60 1tub s PHE 268 CO 0.20 -0.34 -0.18 -1.64 -0.10 0.00 0.00 175.22 173.17 1tub s MET 269 N -3.99 2.08 0.02 0.44 -1.94 -0.53 -2.71 119.30 112.67 1tub s MET 269 Ca 0.29 -0.97 -0.00 0.00 -1.71 0.00 0.00 55.69 53.30 1tub s MET 269 Cb 0.07 -2.19 -0.02 0.00 2.01 0.00 0.00 34.83 34.70 1tub s MET 269 CO 0.07 0.54 -0.03 -1.25 -0.01 0.00 0.00 175.02 174.35 1tub s PRO 270 N -1.40 0.32 0.16 2.03 0.04 -1.26 -2.59 135.00 132.30 1tub s PRO 270 Ca 0.14 -0.61 0.06 0.00 0.04 0.00 0.00 61.00 60.63 1tub s PRO 270 Cb -0.10 0.11 -0.04 0.00 0.04 0.00 0.00 34.50 34.51 1tub s PRO 270 CO 0.05 -0.05 -0.12 0.20 0.04 0.00 0.00 177.00 177.11 1tub s GLY 271 N -1.47 1.17 -0.11 0.56 0.00 -1.05 -2.41 107.32 104.01 1tub s GLY 271 Ca -0.16 -1.49 0.01 0.00 0.00 0.00 0.00 44.72 43.08 1tub s GLY 271 CO -0.01 -1.58 -0.11 -0.12 0.00 0.00 0.00 173.10 171.28 1tub s PHE 272 N -2.92 1.75 0.00 1.90 2.19 -1.26 -1.42 117.98 118.22 1tub s PHE 272 Ca 0.16 -0.87 0.06 0.00 0.33 0.00 0.00 56.93 56.61 1tub s PHE 272 Cb -0.00 -1.34 -0.03 0.00 -1.31 0.00 0.00 43.02 40.34 1tub s PHE 272 CO 0.03 -0.51 -0.18 0.00 1.83 0.00 0.00 175.22 176.39 1tub s ALA 273 N 1.35 2.55 0.00 11.12 0.00 -1.09 -4.38 121.76 131.31 1tub s ALA 273 Ca -0.00 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1tub s ALA 273 Cb -0.14 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.20 1tub s ALA 273 CO -0.06 0.56 0.00 -0.35 0.00 0.00 0.00 175.76 175.91 1tub n PRO 274 N 1.93 0.00 -0.01 0.00 -0.04 -1.26 -3.84 135.00 131.78 1tub n PRO 274 Ca -0.16 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.17 1tub n PRO 274 Cb 0.52 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.88 1tub n PRO 274 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1tub h LEU 275 N 0.00 0.00 0.00 1.53 3.38 -1.94 -3.47 115.31 114.81 1tub h LEU 275 Ca 0.00 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1tub h LEU 275 Cb 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1tub h LEU 275 CO 0.00 0.47 0.00 0.35 0.09 0.00 0.00 178.44 179.35 1tub n THR 276 N -4.86 0.00 -0.53 0.22 -2.24 -1.26 -4.50 114.28 101.11 1tub n THR 276 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1tub n THR 276 Cb 0.24 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1tub n THR 276 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1tub n SER 277 N 0.00 -2.83 -0.23 3.42 7.64 -1.25 -4.22 113.62 116.15 1tub n SER 277 Ca 0.00 0.16 -0.09 0.00 1.01 0.00 0.00 58.87 59.95 1tub n SER 277 Cb 0.00 -0.90 -0.05 0.00 -1.01 0.00 0.00 64.21 62.25 1tub n SER 277 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1tub h ARG 278 N 0.46 -0.21 0.11 1.43 2.43 -1.94 -0.91 114.38 115.76 1tub h ARG 278 Ca 0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1tub h ARG 278 Cb 0.00 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1tub h ARG 278 CO 0.00 -0.14 -0.05 0.78 -1.51 0.00 0.00 179.97 179.05 1tub h GLY 279 N -0.21 -0.15 0.17 2.80 0.00 -2.02 -2.99 103.07 100.65 1tub h GLY 279 Ca 0.17 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1tub h GLY 279 CO -0.72 -0.06 0.00 1.44 0.00 0.00 0.00 176.54 177.20 1tub n SER 280 N -4.84 0.00 0.21 0.19 7.64 -1.12 -3.56 113.62 112.14 1tub n SER 280 Ca -0.06 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.85 1tub n SER 280 Cb 0.23 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.58 1tub n SER 280 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1tub h GLN 281 N 0.00 0.00 -0.00 1.43 3.07 -1.01 -1.44 115.11 117.15 1tub h GLN 281 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1tub h GLN 281 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1tub h GLN 281 CO 0.00 0.00 -0.70 1.04 0.09 0.00 0.00 178.83 179.26 1tub n GLN 282 N -2.04 0.13 -3.19 0.06 1.13 -1.23 -4.82 117.38 107.42 1tub n GLN 282 Ca -0.00 -0.09 -0.38 0.00 -1.94 0.00 0.00 57.00 54.58 1tub n GLN 282 Cb 0.67 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.46 1tub n GLN 282 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1tub s TYR 283 N -2.93 3.79 0.00 1.08 1.51 -0.55 -4.77 117.35 115.48 1tub s TYR 283 Ca 0.11 1.35 0.00 0.00 -1.01 0.00 0.00 57.07 57.52 1tub s TYR 283 Cb 0.17 -2.56 0.00 0.00 -0.11 0.00 0.00 41.96 39.46 1tub s TYR 283 CO 0.75 0.53 0.00 0.54 -1.11 0.00 0.00 175.55 176.26 1tub n ARG 284 N 1.48 -0.10 -0.62 -0.62 1.74 -1.26 -4.54 116.66 112.73 1tub n ARG 284 Ca -0.08 0.10 -0.39 0.00 -0.77 0.00 0.00 57.85 56.71 1tub n ARG 284 Cb 0.50 -0.32 -0.11 0.00 -1.02 0.00 0.00 32.46 31.51 1tub n ARG 284 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tub n ALA 285 N 1.81 0.71 -3.49 7.54 0.00 -1.26 -2.22 120.51 123.60 1tub n ALA 285 Ca 0.00 -2.45 -0.20 0.00 0.00 0.00 0.00 53.44 50.79 1tub n ALA 285 Cb 0.00 -3.37 0.03 0.00 0.00 0.00 0.00 19.45 16.11 1tub n ALA 285 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1tub n LEU 286 N 9.25 -4.03 -4.80 0.00 4.77 -1.26 -4.91 117.00 116.02 1tub n LEU 286 Ca 0.42 -0.72 -0.30 0.00 -0.03 0.00 0.00 56.01 55.38 1tub n LEU 286 Cb 0.41 -2.58 0.08 0.00 -2.33 0.00 0.00 43.42 39.00 1tub n LEU 286 CO 1.07 -0.02 0.71 -0.89 -1.33 0.00 0.00 177.39 176.93 1tub s THR 287 N -3.24 3.26 -0.18 -5.08 2.01 -0.94 -4.87 115.64 106.60 1tub s THR 287 Ca 0.26 0.41 -0.24 0.00 0.31 0.00 0.00 61.69 62.43 1tub s THR 287 Cb -0.08 -3.15 -0.22 0.00 0.01 0.00 0.00 72.50 69.07 1tub s THR 287 CO 0.83 -0.54 0.42 0.58 -0.69 0.00 0.00 174.62 175.22 1tub h VAL 288 N -1.02 1.21 0.00 3.82 2.07 -1.95 0.45 116.25 120.83 1tub h VAL 288 Ca -0.46 -2.25 -0.00 0.00 0.82 0.00 0.00 66.70 64.80 1tub h VAL 288 Cb 1.26 2.64 -0.00 0.00 -1.52 0.00 0.00 31.29 33.67 1tub h VAL 288 CO 0.58 0.44 -0.02 1.55 0.02 0.00 0.00 177.57 180.14 1tub h PRO 289 N -0.95 0.00 -0.34 1.57 0.13 -1.94 7.69 132.00 138.15 1tub h PRO 289 Ca -0.23 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.79 1tub h PRO 289 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1tub h PRO 289 CO -0.12 0.02 -0.21 1.49 -0.23 0.00 0.00 178.00 178.94 1tub h GLU 290 N 0.00 0.75 0.10 0.86 4.57 -1.94 0.68 114.58 119.60 1tub h GLU 290 Ca -0.00 -0.35 -0.26 0.00 -1.18 0.00 0.00 59.36 57.57 1tub h GLU 290 Cb 0.08 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1tub h GLU 290 CO 0.00 0.97 -1.21 -0.07 -1.18 0.00 0.00 179.01 177.52 1tub h LEU 291 N 0.53 0.33 -0.16 1.64 3.38 1.13 -2.35 115.31 119.81 1tub h LEU 291 Ca 0.07 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1tub h LEU 291 Cb 0.77 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1tub h LEU 291 CO 0.06 1.28 -0.06 0.71 0.09 0.00 0.00 178.44 180.52 1tub h THR 292 N 0.06 1.30 -0.76 0.22 1.35 1.45 -3.17 112.91 113.35 1tub h THR 292 Ca -0.11 -1.07 0.16 0.00 -0.55 0.00 0.00 66.41 64.84 1tub h THR 292 Cb 1.93 1.67 -0.14 0.00 -1.73 0.00 0.00 68.15 69.88 1tub h THR 292 CO 0.19 0.32 -0.12 -0.61 -0.25 0.00 0.00 175.52 175.04 1tub h GLN 293 N 0.02 0.03 -0.00 4.72 5.75 0.40 -0.85 115.11 125.18 1tub h GLN 293 Ca 0.04 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1tub h GLN 293 Cb 0.52 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.06 1tub h GLN 293 CO 0.02 0.02 -0.17 0.94 -2.65 0.00 0.00 178.83 176.99 1tub n GLN 294 N -5.45 0.30 0.00 1.69 7.27 -0.89 -3.11 117.38 117.19 1tub n GLN 294 Ca 0.12 -0.10 0.13 0.00 0.07 0.00 0.00 57.00 57.22 1tub n GLN 294 Cb 0.43 -1.50 0.44 0.00 2.41 0.00 0.00 30.24 32.02 1tub n GLN 294 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1tub n MET 295 N -1.26 0.40 0.00 3.69 2.81 -0.33 -4.17 117.12 118.26 1tub n MET 295 Ca 0.10 -0.19 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 1tub n MET 295 Cb 0.31 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 1tub n MET 295 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1tub n PHE 296 N -1.14 0.00 -1.30 2.03 3.01 -1.19 -4.90 117.46 113.96 1tub n PHE 296 Ca 0.10 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.18 1tub n PHE 296 Cb 0.32 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.82 1tub n PHE 296 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1tub n ASP 297 N -1.45 -2.74 -0.27 4.37 9.92 -1.18 -4.72 116.55 120.48 1tub n ASP 297 Ca 0.00 0.65 0.33 0.00 -0.53 0.00 0.00 54.79 55.24 1tub n ASP 297 Cb 0.22 -0.98 0.74 0.00 -0.64 0.00 0.00 41.12 40.45 1tub n ASP 297 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1tub h ALA 298 N -0.02 3.01 -0.02 2.24 0.00 -1.95 -3.18 119.26 119.34 1tub h ALA 298 Ca -0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1tub h ALA 298 Cb 1.41 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1tub h ALA 298 CO 0.42 -1.38 -0.26 1.63 0.00 0.00 0.00 179.25 179.66 1tub n LYS 299 N -4.09 1.62 -0.07 0.00 5.02 -1.26 -3.88 118.16 115.48 1tub n LYS 299 Ca 0.23 -1.25 0.03 0.00 -2.02 0.00 0.00 58.31 55.30 1tub n LYS 299 Cb 1.19 -1.40 0.07 0.00 -0.02 0.00 0.00 35.03 34.86 1tub n LYS 299 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1tub n ASN 300 N 0.43 2.37 -4.76 4.39 4.05 -1.20 -4.63 115.26 115.92 1tub n ASN 300 Ca 0.10 -2.11 -0.40 0.00 0.45 0.00 0.00 54.58 52.62 1tub n ASN 300 Cb 0.46 -0.12 -0.06 0.00 1.23 0.00 0.00 39.78 41.30 1tub n ASN 300 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 177.26 174.17 1tub s MET 301 N -1.20 4.60 -0.60 1.20 -1.94 -1.25 -4.52 119.30 115.58 1tub s MET 301 Ca 0.11 1.20 -0.03 0.00 -1.71 0.00 0.00 55.69 55.26 1tub s MET 301 Cb 0.07 -3.31 0.15 0.00 2.01 0.00 0.00 34.83 33.76 1tub s MET 301 CO 0.05 0.44 2.53 -0.12 -0.01 0.00 0.00 175.02 177.91 1tub n MET 302 N 2.07 2.60 -4.20 2.03 0.00 -1.01 -4.83 117.12 113.78 1tub n MET 302 Ca -0.03 -2.76 -0.16 0.00 0.00 0.00 0.00 57.70 54.74 1tub n MET 302 Cb 0.49 -2.20 -0.07 0.00 0.00 0.00 0.00 33.22 31.44 1tub n MET 302 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1tub s ALA 303 N -2.45 1.34 -2.61 -5.12 0.00 -1.26 -3.72 121.76 107.93 1tub s ALA 303 Ca 0.56 -1.80 0.24 0.00 0.00 0.00 0.00 51.96 50.96 1tub s ALA 303 Cb 0.39 1.35 0.14 0.00 0.00 0.00 0.00 23.12 25.01 1tub s ALA 303 CO -0.28 -0.70 1.21 0.00 0.00 0.00 0.00 175.76 175.99 1tub n ALA 304 N -0.54 2.89 -2.60 0.00 0.00 -1.26 -4.38 120.51 114.62 1tub n ALA 304 Ca 0.04 -0.67 -0.38 0.00 0.00 0.00 0.00 53.44 52.44 1tub n ALA 304 Cb 0.63 -0.81 -0.06 0.00 0.00 0.00 0.00 19.45 19.20 1tub n ALA 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tub s ASP 306 N -1.03 6.19 0.56 0.00 1.01 -1.26 -4.94 116.67 117.20 1tub s ASP 306 Ca 0.22 -1.53 0.37 0.00 0.71 0.00 0.00 52.55 52.31 1tub s ASP 306 Cb -0.16 -2.26 1.77 0.00 1.01 0.00 0.00 42.92 43.29 1tub s ASP 306 CO 0.11 -0.97 2.11 1.55 0.21 0.00 0.00 175.17 178.18 1tub h PRO 307 N 9.03 0.00 -1.05 8.23 0.14 -1.91 -2.98 132.00 143.46 1tub h PRO 307 Ca -0.29 0.00 0.28 0.00 0.14 0.00 0.00 66.00 66.12 1tub h PRO 307 Cb 1.09 0.00 -0.11 0.00 0.14 0.00 0.00 31.00 32.13 1tub h PRO 307 CO 1.05 0.00 0.65 -0.09 0.14 0.00 0.00 178.00 179.76 1tub h ARG 308 N 0.00 0.41 -5.77 0.86 9.65 -1.92 -3.08 114.38 114.53 1tub h ARG 308 Ca 0.00 -0.02 -0.41 0.00 -1.10 0.00 0.00 59.98 58.45 1tub h ARG 308 Cb 0.26 -0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 28.68 1tub h ARG 308 CO 0.00 0.27 1.13 -1.58 2.80 0.00 0.00 179.97 182.59 1tub s HIS 309 N -5.57 2.10 -3.84 2.20 2.46 -1.13 -4.75 115.29 106.76 1tub s HIS 309 Ca -0.09 0.03 0.00 0.00 0.47 0.00 0.00 55.06 55.47 1tub s HIS 309 Cb 0.26 -4.26 0.00 0.00 -0.13 0.00 0.00 32.58 28.46 1tub s HIS 309 CO 0.80 -1.68 0.00 0.41 -2.47 0.00 0.00 174.74 171.80 1tub n GLY 310 N 6.49 0.67 3.36 1.59 0.00 -1.17 -3.53 105.19 112.61 1tub n GLY 310 Ca 0.40 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 1tub n GLY 310 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tub s ARG 311 N -1.54 1.96 0.49 1.61 0.52 -1.26 -4.48 118.95 116.25 1tub s ARG 311 Ca 0.00 -1.02 -0.20 0.00 -0.52 0.00 0.00 55.73 53.99 1tub s ARG 311 Cb 0.00 -2.05 -0.08 0.00 0.52 0.00 0.00 34.95 33.34 1tub s ARG 311 CO 0.00 0.53 1.03 0.71 0.02 0.00 0.00 175.30 177.59 1tub s TYR 312 N -0.78 3.04 -0.30 -0.53 1.51 -1.03 0.79 117.35 120.06 1tub s TYR 312 Ca 0.12 1.57 0.02 0.00 -1.01 0.00 0.00 57.07 57.77 1tub s TYR 312 Cb -0.10 -3.03 0.09 0.00 -0.11 0.00 0.00 41.96 38.80 1tub s TYR 312 CO 0.02 -0.77 0.01 -0.51 -1.11 0.00 0.00 175.55 173.19 1tub s LEU 313 N -3.56 3.67 0.00 -1.29 1.43 9.49 -3.65 118.68 124.76 1tub s LEU 313 Ca 0.66 -1.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.02 1tub s LEU 313 Cb -0.15 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.67 1tub s LEU 313 CO 0.21 -0.32 0.00 0.35 0.23 0.00 0.00 176.35 176.82 1tub n THR 314 N 4.47 -0.78 -3.72 5.49 -2.24 -1.22 -3.16 114.28 113.12 1tub n THR 314 Ca -0.03 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.47 1tub n THR 314 Cb 0.42 -0.55 -0.17 0.00 -2.10 0.00 0.00 70.33 67.94 1tub n THR 314 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1tub s VAL 315 N -1.07 0.43 -0.38 2.28 1.01 -0.38 -2.49 120.40 119.80 1tub s VAL 315 Ca 0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.37 1tub s VAL 315 Cb 0.00 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.45 1tub s VAL 315 CO 0.00 -0.20 0.25 0.00 0.00 0.00 0.00 175.10 175.15 1tub s ALA 316 N 1.90 3.41 0.05 5.51 0.00 -0.37 -0.90 121.76 131.37 1tub s ALA 316 Ca -0.00 -1.64 0.06 0.00 0.00 0.00 0.00 51.96 50.38 1tub s ALA 316 Cb -0.17 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1tub s ALA 316 CO -0.08 -1.31 -0.13 0.00 0.00 0.00 0.00 175.76 174.24 1tub s ALA 317 N 1.65 2.81 -0.05 0.00 0.00 -0.14 0.31 121.76 126.33 1tub s ALA 317 Ca 0.04 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1tub s ALA 317 Cb -0.19 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 22.07 1tub s ALA 317 CO 0.09 0.60 -0.03 0.08 0.00 0.00 0.00 175.76 176.51 1tub s VAL 318 N -1.03 0.44 -0.11 0.00 1.01 0.37 -1.70 120.40 119.38 1tub s VAL 318 Ca 0.17 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 1tub s VAL 318 Cb -0.11 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.79 1tub s VAL 318 CO 0.08 0.22 -0.09 -0.36 0.00 0.00 0.00 175.10 174.95 1tub s PHE 319 N 1.17 1.57 -0.55 5.22 0.40 -0.69 0.45 117.98 125.55 1tub s PHE 319 Ca -0.07 -0.78 0.07 0.00 -0.60 0.00 0.00 56.93 55.55 1tub s PHE 319 Cb -0.14 -1.26 0.30 0.00 0.51 0.00 0.00 43.02 42.43 1tub s PHE 319 CO -0.01 -0.51 0.80 2.89 0.70 0.00 0.00 175.22 179.08 1tub n ARG 320 N 4.79 2.39 -0.00 0.44 1.85 -1.10 -3.70 116.66 121.33 1tub n ARG 320 Ca -0.14 -4.41 0.05 0.00 -1.00 0.00 0.00 57.85 52.35 1tub n ARG 320 Cb 0.50 -2.05 -0.08 0.00 -1.05 0.00 0.00 32.46 29.78 1tub n ARG 320 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1tub n GLY 321 N 0.42 -0.43 0.00 2.89 0.00 -1.26 -2.74 105.19 104.07 1tub n GLY 321 Ca 0.29 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1tub n GLY 321 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tub n ARG 322 N -1.82 0.00 -1.86 1.61 1.74 -1.26 -4.71 116.66 110.36 1tub n ARG 322 Ca -0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.77 1tub n ARG 322 Cb 0.25 0.00 0.16 0.00 -1.02 0.00 0.00 32.46 31.86 1tub n ARG 322 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1tub s MET 323 N 0.00 0.91 0.17 5.56 1.75 -1.26 -4.95 119.30 121.49 1tub s MET 323 Ca 0.00 -0.22 -0.33 0.00 -1.25 0.00 0.00 55.69 53.89 1tub s MET 323 Cb 0.00 -1.86 -0.13 0.00 2.84 0.00 0.00 34.83 35.68 1tub s MET 323 CO 0.00 -2.26 1.62 -1.13 -0.65 0.00 0.00 175.02 172.60 1tub n SER 324 N -3.70 3.34 0.23 1.11 3.41 -1.26 -4.86 113.62 111.88 1tub n SER 324 Ca 0.13 1.08 0.16 0.00 -0.26 0.00 0.00 58.87 59.97 1tub n SER 324 Cb 0.60 -1.47 0.67 0.00 -0.26 0.00 0.00 64.21 63.75 1tub n SER 324 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1tub h MET 325 N 6.17 0.00 0.11 4.33 2.86 -1.98 -1.92 114.93 124.50 1tub h MET 325 Ca -0.44 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 56.88 1tub h MET 325 Cb 1.24 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 1tub h MET 325 CO 0.91 0.00 -1.65 0.87 1.06 0.00 0.00 176.91 178.09 1tub h LYS 326 N 0.00 0.24 -0.24 1.72 1.57 -2.00 -3.36 116.57 114.51 1tub h LYS 326 Ca 0.00 -0.42 -0.07 0.00 -1.87 0.00 0.00 60.65 58.29 1tub h LYS 326 Cb 0.39 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1tub h LYS 326 CO 0.00 1.09 -0.14 1.49 -0.57 0.00 0.00 179.45 181.32 1tub h GLU 327 N 0.07 0.52 -0.22 3.15 4.57 -1.86 -0.83 114.58 119.97 1tub h GLU 327 Ca -0.29 -0.24 -0.07 0.00 -1.18 0.00 0.00 59.36 57.59 1tub h GLU 327 Cb 2.03 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.60 1tub h GLU 327 CO 0.14 0.80 -0.13 0.28 -1.18 0.00 0.00 179.01 178.92 1tub h VAL 328 N 0.23 1.31 -0.15 0.32 2.07 -1.57 -2.32 116.25 116.15 1tub h VAL 328 Ca 0.05 -1.22 -0.14 0.00 0.82 0.00 0.00 66.70 66.21 1tub h VAL 328 Cb 0.65 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1tub h VAL 328 CO 0.04 0.38 -0.50 0.44 0.02 0.00 0.00 177.57 177.94 1tub h ASP 329 N 0.19 0.44 0.50 0.57 5.19 -1.70 -1.65 116.42 119.96 1tub h ASP 329 Ca 0.05 -0.22 -0.10 0.00 -0.62 0.00 0.00 57.03 56.14 1tub h ASP 329 Cb 0.64 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 1tub h ASP 329 CO 0.04 0.87 -0.46 -0.33 -3.12 0.00 0.00 179.24 176.24 1tub h GLU 330 N 0.32 0.00 0.13 3.56 5.08 -1.16 -3.25 114.58 119.25 1tub h GLU 330 Ca 0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.09 1tub h GLU 330 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1tub h GLU 330 CO 0.09 0.46 -1.41 1.96 -1.00 0.00 0.00 179.01 179.11 1tub h GLN 331 N 0.00 0.28 0.00 2.33 1.08 -0.73 -3.25 115.11 114.83 1tub h GLN 331 Ca -0.00 -0.48 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 1tub h GLN 331 Cb 0.83 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.44 1tub h GLN 331 CO 0.06 1.23 0.33 0.52 -0.95 0.00 0.00 178.83 180.02 1tub h MET 332 N -0.24 0.00 -0.25 1.46 2.86 -1.47 -3.31 114.93 113.98 1tub h MET 332 Ca -0.29 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.24 1tub h MET 332 Cb 1.81 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.47 1tub h MET 332 CO 0.09 0.00 -0.27 1.25 1.06 0.00 0.00 176.91 179.04 1tub h LEU 333 N 0.00 0.67 -1.90 1.22 5.85 -1.67 -3.16 115.31 116.32 1tub h LEU 333 Ca 0.00 -0.48 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 1tub h LEU 333 Cb 0.66 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 1tub h LEU 333 CO 0.00 1.02 -0.10 0.78 -0.34 0.00 0.00 178.44 179.79 1tub h ASN 334 N 0.34 0.00 -0.54 1.25 2.35 -1.76 0.56 115.58 117.78 1tub h ASN 334 Ca 0.04 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.67 1tub h ASN 334 Cb 0.84 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.19 1tub h ASN 334 CO 0.07 0.10 -0.12 0.58 -1.65 0.00 0.00 177.43 176.41 1tub h VAL 335 N 0.00 1.27 0.00 2.81 2.07 -1.73 -3.30 116.25 117.37 1tub h VAL 335 Ca -0.00 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1tub h VAL 335 Cb 0.21 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1tub h VAL 335 CO 0.01 0.45 0.00 0.00 0.02 0.00 0.00 177.57 178.06 1tub n GLN 336 N -4.14 0.13 -0.03 1.57 6.02 0.19 -3.58 117.38 117.54 1tub n GLN 336 Ca 0.01 0.20 0.01 0.00 -0.01 0.00 0.00 57.00 57.21 1tub n GLN 336 Cb 0.41 -1.68 -0.09 0.00 1.02 0.00 0.00 30.24 29.90 1tub n GLN 336 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1tub n ASN 337 N -1.90 2.17 -3.17 1.08 3.02 -1.00 -4.00 115.26 111.46 1tub n ASN 337 Ca 0.05 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.20 1tub n ASN 337 Cb 0.32 1.23 0.03 0.00 -0.61 0.00 0.00 39.78 40.75 1tub n ASN 337 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1tub n LYS 338 N -2.14 3.73 -0.10 3.52 5.02 -1.24 -4.52 118.16 122.43 1tub n LYS 338 Ca -0.09 -3.96 0.00 0.00 -2.02 0.00 0.00 58.31 52.24 1tub n LYS 338 Cb 0.56 -2.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 1tub n LYS 338 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1tub n ASN 339 N -0.37 0.00 0.00 4.39 3.02 -1.24 -4.94 115.26 116.13 1tub n ASN 339 Ca 0.51 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1tub n ASN 339 Cb 0.25 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 1tub n ASN 339 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1tub n SER 340 N 0.00 0.00 0.06 6.41 3.41 -1.26 0.71 113.62 122.96 1tub n SER 340 Ca 0.00 0.71 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 1tub n SER 340 Cb 0.24 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1tub n SER 340 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1tub n SER 341 N -1.67 0.00 -1.63 4.04 3.41 -1.26 0.34 113.62 116.85 1tub n SER 341 Ca 0.00 0.09 0.10 0.00 -0.26 0.00 0.00 58.87 58.79 1tub n SER 341 Cb 0.00 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.32 1tub n SER 341 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1tub n TYR 342 N -1.25 1.52 -3.68 7.33 4.02 3.46 -4.19 117.16 124.38 1tub n TYR 342 Ca 0.00 -0.61 -0.14 0.00 -0.01 0.00 0.00 57.90 57.14 1tub n TYR 342 Cb 0.58 -0.25 -0.14 0.00 -0.02 0.00 0.00 39.34 39.51 1tub n TYR 342 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1tub s PHE 343 N -1.85 -0.35 -0.10 -0.72 0.08 1.03 -2.45 117.98 113.62 1tub s PHE 343 Ca 0.52 0.85 0.00 0.00 0.12 0.00 0.00 56.93 58.42 1tub s PHE 343 Cb 0.34 -0.07 0.00 0.00 -0.57 0.00 0.00 43.02 42.72 1tub s PHE 343 CO 0.25 -0.31 0.00 0.28 -0.10 0.00 0.00 175.22 175.34 1tub n VAL 344 N 5.10 0.00 0.00 -0.44 0.31 -1.24 -4.84 118.33 117.21 1tub n VAL 344 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1tub n VAL 344 Cb 0.50 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 1tub n VAL 344 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1tub n GLU 345 N 0.63 0.00 -3.07 5.55 1.02 -1.26 -4.57 120.64 118.94 1tub n GLU 345 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 1tub n GLU 345 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 1tub n GLU 345 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 1tub s TRP 346 N -0.28 3.51 0.00 -0.32 1.48 -1.26 -4.71 118.94 117.36 1tub s TRP 346 Ca 0.00 0.68 0.00 0.00 -1.06 0.00 0.00 56.10 55.72 1tub s TRP 346 Cb 0.00 -2.16 0.00 0.00 -1.16 0.00 0.00 33.47 30.15 1tub s TRP 346 CO 0.00 -0.01 0.00 -0.89 -4.06 0.00 0.00 176.95 171.99 1tub n ILE 347 N -1.57 -0.64 -5.26 0.66 5.41 -1.26 -5.01 119.36 111.69 1tub n ILE 347 Ca -0.01 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.42 1tub n ILE 347 Cb 0.55 -0.87 -0.17 0.00 -0.71 0.00 0.00 39.64 38.44 1tub n ILE 347 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1tub s PRO 348 N -1.82 2.64 -0.01 0.38 0.05 -1.26 -4.63 135.00 130.36 1tub s PRO 348 Ca 0.00 -0.90 -0.01 0.00 0.05 0.00 0.00 61.00 60.14 1tub s PRO 348 Cb 0.00 -2.19 0.00 0.00 0.05 0.00 0.00 34.50 32.36 1tub s PRO 348 CO 0.00 0.35 0.01 0.09 0.05 0.00 0.00 177.00 177.50 1tub n ASN 349 N 3.05 -2.08 0.02 6.66 4.13 -1.26 -5.03 115.26 120.75 1tub n ASN 349 Ca -0.18 0.10 0.11 0.00 1.68 0.00 0.00 54.58 56.29 1tub n ASN 349 Cb 0.52 -1.28 0.03 0.00 -1.54 0.00 0.00 39.78 37.52 1tub n ASN 349 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1tub n ASN 350 N 0.11 0.65 -3.78 6.41 2.85 -1.26 -4.84 115.26 115.40 1tub n ASN 350 Ca -0.02 -0.36 -0.21 0.00 -0.11 0.00 0.00 54.58 53.88 1tub n ASN 350 Cb 0.03 0.76 -0.17 0.00 1.24 0.00 0.00 39.78 41.63 1tub n ASN 350 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1tub s VAL 351 N -3.13 0.31 -0.01 3.44 1.01 -1.26 -1.25 120.40 119.51 1tub s VAL 351 Ca 0.06 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 1tub s VAL 351 Cb 0.15 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1tub s VAL 351 CO 0.80 0.23 0.20 -0.75 0.00 0.00 0.00 175.10 175.58 1tub s LYS 352 N 1.75 3.47 -0.04 2.72 2.20 -0.08 -5.02 119.74 124.74 1tub s LYS 352 Ca 0.01 -0.25 0.02 0.00 -0.36 0.00 0.00 55.97 55.39 1tub s LYS 352 Cb -0.13 -3.10 0.01 0.00 -1.51 0.00 0.00 37.83 33.11 1tub s LYS 352 CO -0.04 0.68 -0.09 0.99 -0.36 0.00 0.00 175.35 176.53 1tub s THR 353 N -1.30 0.85 0.03 3.43 2.01 -1.25 -0.97 115.64 118.44 1tub s THR 353 Ca 0.26 -0.34 0.09 0.00 0.31 0.00 0.00 61.69 62.01 1tub s THR 353 Cb -0.13 -0.79 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 1tub s THR 353 CO 0.17 0.28 -0.26 0.00 -0.69 0.00 0.00 174.62 174.12 1tub s ALA 354 N 0.55 2.24 -0.04 7.40 0.00 -0.69 -5.00 121.76 126.22 1tub s ALA 354 Ca -0.10 -1.22 0.03 0.00 0.00 0.00 0.00 51.96 50.67 1tub s ALA 354 Cb -0.13 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.49 1tub s ALA 354 CO 0.02 0.53 -0.13 0.08 0.00 0.00 0.00 175.76 176.26 1tub s VAL 355 N -0.75 1.13 0.49 0.00 1.01 -0.82 -1.70 120.40 119.76 1tub s VAL 355 Ca 0.11 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1tub s VAL 355 Cb -0.10 -0.99 0.04 0.00 0.00 0.00 0.00 36.38 35.32 1tub s VAL 355 CO 0.01 0.34 0.29 0.00 0.00 0.00 0.00 175.10 175.75 1tub n ASP 357 N -1.73 1.33 -3.64 0.00 8.00 -1.26 -4.28 116.55 114.97 1tub n ASP 357 Ca -0.05 -1.73 -0.16 0.00 0.71 0.00 0.00 54.79 53.56 1tub n ASP 357 Cb 0.57 -0.02 -0.15 0.00 -0.02 0.00 0.00 41.12 41.50 1tub n ASP 357 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1tub s ILE 358 N -0.74 -0.31 -0.00 0.53 1.01 -1.26 -4.86 121.20 115.56 1tub s ILE 358 Ca 0.01 0.25 -0.20 0.00 0.00 0.00 0.00 60.65 60.71 1tub s ILE 358 Cb 0.01 -0.40 -0.05 0.00 0.01 0.00 0.00 42.46 42.02 1tub s ILE 358 CO 0.00 0.07 0.58 -2.16 0.00 0.00 0.00 174.94 173.43 1tub s PRO 359 N 2.33 4.29 0.05 2.79 0.04 -1.11 -4.74 135.00 138.65 1tub s PRO 359 Ca 0.03 0.70 -0.18 0.00 0.04 0.00 0.00 61.00 61.60 1tub s PRO 359 Cb -0.13 -3.33 -0.10 0.00 0.04 0.00 0.00 34.50 30.98 1tub s PRO 359 CO -0.08 0.39 0.41 -2.30 0.04 0.00 0.00 177.00 175.47 1tub n PRO 360 N 2.66 0.00 -1.39 0.56 -0.02 -1.26 -4.40 135.00 131.14 1tub n PRO 360 Ca -0.07 0.00 -0.52 0.00 -2.02 0.00 0.00 63.50 60.89 1tub n PRO 360 Cb 0.51 -0.65 -0.09 0.00 -0.02 0.00 0.00 33.50 33.25 1tub n PRO 360 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1tub n ARG 369 N 0.65 0.60 -1.06 -0.52 0.63 -1.26 -1.99 116.66 113.71 1tub n ARG 369 Ca 0.10 0.15 -0.02 0.00 -0.92 0.00 0.00 57.85 57.15 1tub n ARG 369 Cb 0.08 -2.10 -0.01 0.00 0.45 0.00 0.00 32.46 30.88 1tub n ARG 369 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1tub n GLY 370 N 6.82 0.55 0.09 5.14 0.00 -1.26 -4.90 105.19 111.62 1tub n GLY 370 Ca 0.48 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 1tub n GLY 370 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1tub n LEU 371 N -0.24 0.63 0.00 0.99 7.94 -0.84 -5.00 117.00 120.48 1tub n LEU 371 Ca -0.02 0.30 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 1tub n LEU 371 Cb 0.08 0.26 0.00 0.00 0.53 0.00 0.00 43.42 44.29 1tub n LEU 371 CO 0.03 0.41 0.00 0.29 -1.11 0.00 0.00 177.39 177.01 1tub n LYS 372 N -2.95 0.00 -3.74 1.96 4.76 -1.24 -4.89 118.16 112.05 1tub n LYS 372 Ca -0.21 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.11 1tub n LYS 372 Cb 1.07 -0.03 -0.11 0.00 -1.84 0.00 0.00 35.03 34.11 1tub n LYS 372 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1tub s MET 373 N 0.00 0.33 0.28 1.97 1.75 -1.26 -4.44 119.30 117.92 1tub s MET 373 Ca 0.00 0.52 0.08 0.00 -1.25 0.00 0.00 55.69 55.03 1tub s MET 373 Cb 0.00 0.07 -0.06 0.00 2.84 0.00 0.00 34.83 37.68 1tub s MET 373 CO 0.00 -0.09 -0.09 -1.54 -0.65 0.00 0.00 175.02 172.64 1tub s SER 374 N 0.66 2.96 -0.20 1.11 1.04 -1.26 -4.84 113.70 113.17 1tub s SER 374 Ca -0.04 -1.15 -0.05 0.00 0.48 0.00 0.00 55.95 55.19 1tub s SER 374 Cb -0.05 -0.20 0.10 0.00 0.10 0.00 0.00 66.02 65.96 1tub s SER 374 CO -0.04 -0.25 0.39 0.00 0.98 0.00 0.00 173.24 174.31 1tub s ALA 375 N -2.89 -1.05 0.12 5.32 0.00 -1.25 -2.71 121.76 119.30 1tub s ALA 375 Ca 0.29 1.25 0.10 0.00 0.00 0.00 0.00 51.96 53.60 1tub s ALA 375 Cb 0.02 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 1tub s ALA 375 CO 0.12 -0.89 -0.22 0.99 0.00 0.00 0.00 175.76 175.76 1tub s THR 376 N 2.57 2.55 0.01 0.00 2.01 1.58 -2.68 115.64 121.69 1tub s THR 376 Ca 0.03 -1.63 0.01 0.00 0.31 0.00 0.00 61.69 60.41 1tub s THR 376 Cb -0.13 -2.15 -0.01 0.00 0.01 0.00 0.00 72.50 70.22 1tub s THR 376 CO -0.13 0.10 -0.04 0.12 -0.69 0.00 0.00 174.62 173.98 1tub s PHE 377 N -1.10 0.32 0.13 4.92 2.19 -0.51 0.14 117.98 124.07 1tub s PHE 377 Ca 0.16 -0.21 0.02 0.00 0.33 0.00 0.00 56.93 57.23 1tub s PHE 377 Cb -0.10 -0.20 -0.04 0.00 -1.31 0.00 0.00 43.02 41.36 1tub s PHE 377 CO 0.08 -0.05 -0.03 0.42 1.83 0.00 0.00 175.22 177.47 1tub s ILE 378 N -0.53 0.66 0.00 3.12 -1.09 0.90 -2.53 121.20 121.73 1tub s ILE 378 Ca -0.04 -1.95 0.00 0.00 -2.23 0.00 0.00 60.65 56.43 1tub s ILE 378 Cb -0.04 -1.88 0.00 0.00 -1.58 0.00 0.00 42.46 38.96 1tub s ILE 378 CO -0.00 -0.69 0.00 0.61 -1.23 0.00 0.00 174.94 173.63 1tub n GLY 379 N -0.13 2.83 2.95 6.18 0.00 -1.07 -1.23 105.19 114.72 1tub n GLY 379 Ca -0.09 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 1tub n GLY 379 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1tub s ASN 380 N 0.00 2.65 0.54 1.61 0.01 -1.04 -1.45 114.94 117.26 1tub s ASN 380 Ca 0.00 -0.52 0.06 0.00 -0.71 0.00 0.00 52.86 51.69 1tub s ASN 380 Cb 0.00 -1.02 0.06 0.00 0.41 0.00 0.00 41.25 40.70 1tub s ASN 380 CO 0.00 -0.12 0.49 -1.54 -1.51 0.00 0.00 177.10 174.42 1tub n SER 381 N 4.84 2.53 0.17 -1.22 3.41 -1.25 1.18 113.62 123.27 1tub n SER 381 Ca -0.14 -2.74 0.13 0.00 -0.26 0.00 0.00 58.87 55.86 1tub n SER 381 Cb 0.49 -0.13 0.53 0.00 -0.26 0.00 0.00 64.21 64.84 1tub n SER 381 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1tub h THR 382 N 0.52 0.00 -0.02 6.66 2.02 2.99 -3.32 112.91 121.76 1tub h THR 382 Ca -0.32 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 1tub h THR 382 Cb 1.22 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 68.75 1tub h THR 382 CO 0.49 0.00 -0.10 0.00 0.37 0.00 0.00 175.52 176.28 1tub h ALA 383 N 2.21 1.80 0.00 6.16 0.00 -1.67 -2.25 119.26 125.51 1tub h ALA 383 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1tub h ALA 383 Cb 0.42 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1tub h ALA 383 CO 0.00 0.15 -0.22 0.82 0.00 0.00 0.00 179.25 180.00 1tub h ILE 384 N 0.03 0.67 0.00 0.00 1.08 -1.87 0.36 117.51 117.77 1tub h ILE 384 Ca 0.01 -0.98 0.00 0.00 -0.39 0.00 0.00 64.86 63.50 1tub h ILE 384 Cb 0.19 1.63 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 1tub h ILE 384 CO 0.01 0.22 0.26 1.67 -0.69 0.00 0.00 178.15 179.62 1tub n GLN 385 N -3.56 0.00 0.00 2.37 7.27 -0.85 -0.27 117.38 122.35 1tub n GLN 385 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 1tub n GLN 385 Cb 0.37 -1.68 0.00 0.00 2.41 0.00 0.00 30.24 31.33 1tub n GLN 385 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1tub n GLU 386 N -0.74 0.00 0.01 3.69 1.02 0.13 -2.77 120.64 121.99 1tub n GLU 386 Ca 0.00 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1tub n GLU 386 Cb 0.26 -0.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 1tub n GLU 386 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1tub n LEU 387 N -2.16 0.00 -0.00 -4.62 7.94 0.63 -0.33 117.00 118.46 1tub n LEU 387 Ca 0.00 0.05 -0.01 0.00 -1.11 0.00 0.00 56.01 54.95 1tub n LEU 387 Cb 0.00 -0.03 -0.01 0.00 0.53 0.00 0.00 43.42 43.91 1tub n LEU 387 CO 0.00 -0.05 -0.53 0.49 -1.11 0.00 0.00 177.39 176.18 1tub n PHE 388 N -1.09 0.00 0.27 1.96 3.72 -0.98 -4.16 117.46 117.17 1tub n PHE 388 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1tub n PHE 388 Cb 0.49 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 1tub n PHE 388 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1tub n LYS 389 N -2.19 0.14 -0.04 -1.08 5.02 0.55 0.15 118.16 120.72 1tub n LYS 389 Ca -0.02 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.21 1tub n LYS 389 Cb 0.53 -1.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.50 1tub n LYS 389 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1tub n ARG 390 N -0.48 0.20 0.19 1.97 0.63 -1.10 -4.04 116.66 114.02 1tub n ARG 390 Ca 0.00 0.05 0.12 0.00 -0.92 0.00 0.00 57.85 57.10 1tub n ARG 390 Cb 0.00 -1.12 0.22 0.00 0.45 0.00 0.00 32.46 32.01 1tub n ARG 390 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1tub h ILE 391 N -0.04 0.00 0.14 5.15 2.04 0.12 -2.91 117.51 122.02 1tub h ILE 391 Ca -0.18 -0.87 -0.35 0.00 1.00 0.00 0.00 64.86 64.45 1tub h ILE 391 Cb 1.26 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 1tub h ILE 391 CO -0.04 0.00 -1.85 0.77 0.00 0.00 0.00 178.15 177.03 1tub h SER 392 N 0.00 0.47 -0.34 1.72 4.64 -1.11 0.51 113.55 119.44 1tub h SER 392 Ca 0.00 -0.86 0.07 0.00 -0.47 0.00 0.00 61.79 60.52 1tub h SER 392 Cb 0.94 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.86 1tub h SER 392 CO 0.00 1.75 0.24 -0.33 -0.87 0.00 0.00 176.83 177.62 1tub h GLU 393 N 0.08 0.17 0.07 4.77 4.39 -1.70 -1.15 114.58 121.22 1tub h GLU 393 Ca -0.37 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.32 1tub h GLU 393 Cb 2.06 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.67 1tub h GLU 393 CO 0.13 0.11 -0.04 1.96 -1.16 0.00 0.00 179.01 180.01 1tub h GLN 394 N 0.17 -0.10 0.12 2.33 1.08 -1.41 -2.49 115.11 114.82 1tub h GLN 394 Ca 0.15 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 1tub h GLN 394 Cb 0.40 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1tub h GLN 394 CO -0.02 0.35 -0.06 0.35 -0.95 0.00 0.00 178.83 178.50 1tub h PHE 395 N -0.59 -0.15 -0.90 2.96 3.57 0.26 0.61 116.94 122.69 1tub h PHE 395 Ca -0.01 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.52 1tub h PHE 395 Cb 0.49 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 1tub h PHE 395 CO 0.08 0.06 0.59 1.15 -2.23 0.00 0.00 178.31 177.97 1tub h THR 396 N -0.35 1.14 0.00 4.41 2.02 -1.20 -1.20 112.91 117.73 1tub h THR 396 Ca -0.02 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1tub h THR 396 Cb 0.28 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1tub h THR 396 CO 0.03 0.20 -0.59 0.00 0.37 0.00 0.00 175.52 175.53 1tub n ALA 397 N -2.40 3.14 -2.07 6.16 0.00 -0.94 -1.41 120.51 122.99 1tub n ALA 397 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1tub n ALA 397 Cb 0.11 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1tub n ALA 397 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1tub n MET 398 N -1.88 0.00 -0.36 0.00 0.00 0.21 -4.55 117.12 110.54 1tub n MET 398 Ca 0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 57.70 57.66 1tub n MET 398 Cb 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.58 1tub n MET 398 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 175.97 176.71 1tub h PHE 399 N 0.00 -1.54 -0.01 1.12 0.04 -1.71 -2.73 116.94 112.11 1tub h PHE 399 Ca 0.00 0.11 -0.20 0.00 2.80 0.00 0.00 57.97 60.68 1tub h PHE 399 Cb 0.00 0.79 -0.01 0.00 2.20 0.00 0.00 35.95 38.94 1tub h PHE 399 CO 0.00 -0.40 -0.86 -0.09 -0.60 0.00 0.00 178.31 176.37 1tub h ARG 400 N -0.06 0.26 0.00 1.51 2.43 -1.59 -2.00 114.38 114.93 1tub h ARG 400 Ca 0.22 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1tub h ARG 400 Cb 0.50 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1tub h ARG 400 CO -0.90 0.97 0.00 -2.13 -1.51 0.00 0.00 179.97 176.40 1tub n ARG 401 N -3.71 0.00 -0.65 0.20 3.00 -0.50 -4.57 116.66 110.44 1tub n ARG 401 Ca -0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.69 1tub n ARG 401 Cb 0.79 0.00 0.07 0.00 0.00 0.00 0.00 32.46 33.32 1tub n ARG 401 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1tub n LYS 402 N 0.00 1.63 -0.98 -0.14 5.02 -1.24 -4.97 118.16 117.47 1tub n LYS 402 Ca 0.00 -1.41 -0.33 0.00 -2.02 0.00 0.00 58.31 54.55 1tub n LYS 402 Cb 0.00 -1.55 -0.01 0.00 -0.02 0.00 0.00 35.03 33.44 1tub n LYS 402 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tub n ALA 403 N -0.08 -2.44 -3.54 7.82 0.00 -1.24 -5.07 120.51 115.95 1tub n ALA 403 Ca 0.28 0.21 -0.27 0.00 0.00 0.00 0.00 53.44 53.66 1tub n ALA 403 Cb 0.92 -1.12 -0.09 0.00 0.00 0.00 0.00 19.45 19.16 1tub n ALA 403 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1tub n PHE 404 N -0.34 3.41 -2.20 0.00 7.35 -0.75 -4.85 117.46 120.08 1tub n PHE 404 Ca 0.11 -4.18 -0.01 0.00 -0.76 0.00 0.00 57.45 52.61 1tub n PHE 404 Cb 0.23 -0.56 -0.02 0.00 0.35 0.00 0.00 39.48 39.48 1tub n PHE 404 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1tub n LEU 405 N 1.17 0.07 0.18 -2.13 7.94 -1.26 -4.76 117.00 118.21 1tub n LEU 405 Ca 0.27 -1.74 0.03 0.00 -1.11 0.00 0.00 56.01 53.47 1tub n LEU 405 Cb 0.40 0.00 0.34 0.00 0.53 0.00 0.00 43.42 44.69 1tub n LEU 405 CO 0.36 0.86 0.68 0.45 -1.11 0.00 0.00 177.39 178.63 1tub h HIS 406 N 0.40 0.00 -0.07 1.96 3.86 -1.95 4.82 115.15 124.17 1tub h HIS 406 Ca -0.28 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 58.80 1tub h HIS 406 Cb 1.56 0.00 0.01 0.00 1.06 0.00 0.00 27.41 30.03 1tub h HIS 406 CO -0.01 0.41 -0.44 -1.49 0.86 0.00 0.00 177.93 177.26 1tub h TRP 407 N 0.00 0.57 0.06 2.45 4.06 -2.00 -2.81 115.95 118.27 1tub h TRP 407 Ca -0.00 -0.26 -0.23 0.00 2.06 0.00 0.00 58.89 60.45 1tub h TRP 407 Cb 0.80 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.86 1tub h TRP 407 CO 0.00 1.03 -1.08 1.88 -3.56 0.00 0.00 178.44 176.72 1tub h TYR 408 N -0.06 0.27 0.00 0.49 0.05 -1.74 -3.33 116.97 112.65 1tub h TYR 408 Ca -0.04 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 58.56 1tub h TYR 408 Cb 1.10 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.83 1tub h TYR 408 CO 0.13 1.11 0.19 1.15 -1.05 0.00 0.00 178.16 179.69 1tub h THR 409 N 0.05 0.00 0.00 -2.88 2.02 0.98 0.74 112.91 113.82 1tub h THR 409 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1tub h THR 409 Cb 1.80 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 1tub h THR 409 CO 0.16 0.00 -0.98 0.61 0.37 0.00 0.00 175.52 175.68 1tub n GLY 410 N -1.18 -1.30 0.06 2.16 0.00 -1.12 -4.52 105.19 99.30 1tub n GLY 410 Ca -0.02 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 1tub n GLY 410 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1tub h GLU 411 N 0.00 0.01 0.00 1.61 4.39 0.36 -3.48 114.58 117.47 1tub h GLU 411 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1tub h GLU 411 Cb 0.81 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1tub h GLU 411 CO 0.00 0.93 0.00 0.41 -1.16 0.00 0.00 179.01 179.19 1tub n GLY 412 N 1.39 -1.71 2.75 -3.84 0.00 -1.25 -4.20 105.19 98.32 1tub n GLY 412 Ca -0.03 0.75 -0.22 0.00 0.00 0.00 0.00 46.02 46.52 1tub n GLY 412 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1tub s MET 413 N 0.00 0.41 -0.07 1.61 -1.94 -1.26 -4.98 119.30 113.07 1tub s MET 413 Ca 0.00 0.18 0.04 0.00 -1.71 0.00 0.00 55.69 54.20 1tub s MET 413 Cb 0.00 -0.82 0.00 0.00 2.01 0.00 0.00 34.83 36.02 1tub s MET 413 CO 0.00 -0.30 -0.19 -0.51 -0.01 0.00 0.00 175.02 174.01 1tub s ASP 414 N 1.96 2.49 0.00 3.03 1.01 -1.26 -4.44 116.67 119.46 1tub s ASP 414 Ca 0.04 -0.43 0.00 0.00 0.71 0.00 0.00 52.55 52.87 1tub s ASP 414 Cb -0.12 -0.92 0.00 0.00 1.01 0.00 0.00 42.92 42.89 1tub s ASP 414 CO -0.04 0.14 0.00 -0.62 0.21 0.00 0.00 175.17 174.86 1tub n GLU 415 N 3.37 0.00 -2.82 8.23 4.71 -1.26 -4.81 120.64 128.06 1tub n GLU 415 Ca -0.19 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 56.61 1tub n GLU 415 Cb 0.53 0.00 -0.07 0.00 -1.01 0.00 0.00 31.44 30.89 1tub n GLU 415 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 1tub s MET 416 N 0.00 4.38 0.00 3.49 -1.94 -1.26 -2.91 119.30 121.06 1tub s MET 416 Ca 0.00 1.20 0.00 0.00 -1.71 0.00 0.00 55.69 55.18 1tub s MET 416 Cb 0.00 -2.48 0.00 0.00 2.01 0.00 0.00 34.83 34.36 1tub s MET 416 CO 0.00 0.12 0.00 0.39 -0.01 0.00 0.00 175.02 175.52 1tub n GLU 417 N -0.06 0.00 0.04 2.03 -0.58 -1.26 -4.75 120.64 116.05 1tub n GLU 417 Ca 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1tub n GLU 417 Cb 0.52 -2.04 0.00 0.00 -0.57 0.00 0.00 31.44 29.35 1tub n GLU 417 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1tub n PHE 418 N -2.65 -0.21 -0.05 -0.32 3.72 -1.25 -4.58 117.46 112.11 1tub n PHE 418 Ca 0.00 0.04 -0.10 0.00 -0.05 0.00 0.00 57.45 57.34 1tub n PHE 418 Cb 0.00 0.07 0.05 0.00 -0.94 0.00 0.00 39.48 38.67 1tub n PHE 418 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1tub h THR 419 N 0.00 1.29 0.00 4.37 2.02 -1.82 -1.80 112.91 116.97 1tub h THR 419 Ca 0.00 -1.57 -0.14 0.00 0.77 0.00 0.00 66.41 65.47 1tub h THR 419 Cb 0.00 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1tub h THR 419 CO 0.00 0.51 -0.69 -0.33 0.37 0.00 0.00 175.52 175.38 1tub h GLU 420 N 0.59 0.00 0.00 6.66 5.08 -1.88 -2.56 114.58 122.46 1tub h GLU 420 Ca 0.05 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1tub h GLU 420 Cb 0.94 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1tub h GLU 420 CO 0.09 0.69 -0.41 0.00 -1.00 0.00 0.00 179.01 178.38 1tub h ALA 421 N 1.31 0.75 0.20 3.43 0.00 -1.69 -2.35 119.26 120.91 1tub h ALA 421 Ca -0.01 -0.37 -0.33 0.00 0.00 0.00 0.00 54.91 54.20 1tub h ALA 421 Cb 1.23 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.98 1tub h ALA 421 CO 0.09 0.51 -1.56 1.49 0.00 0.00 0.00 179.25 179.78 1tub h GLU 422 N 0.00 0.42 0.03 0.00 4.81 -1.27 -3.24 114.58 115.34 1tub h GLU 422 Ca -0.00 -0.72 -0.22 0.00 -0.13 0.00 0.00 59.36 58.28 1tub h GLU 422 Cb 1.28 0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.92 1tub h GLU 422 CO 0.05 1.33 -0.98 0.66 -0.73 0.00 0.00 179.01 179.34 1tub h SER 423 N 0.12 0.32 0.39 1.04 4.64 -1.53 0.13 113.55 118.65 1tub h SER 423 Ca -0.27 -0.28 -0.32 0.00 -0.47 0.00 0.00 61.79 60.45 1tub h SER 423 Cb 2.11 -0.10 0.02 0.00 -0.31 0.00 0.00 62.40 64.12 1tub h SER 423 CO 0.22 1.12 -1.45 -1.13 -0.87 0.00 0.00 176.83 174.73 1tub h ASN 424 N 0.11 0.65 1.71 4.97 -0.00 -1.61 -2.70 115.58 118.71 1tub h ASN 424 Ca -0.07 -0.74 -0.04 0.00 -0.00 0.00 0.00 56.30 55.46 1tub h ASN 424 Cb 1.65 -0.21 -0.01 0.00 -0.00 0.00 0.00 38.32 39.75 1tub h ASN 424 CO 0.15 1.59 -0.30 -0.03 -0.00 0.00 0.00 177.43 178.84 1tub h MET 425 N 0.11 0.00 0.00 6.67 4.05 -1.67 -3.32 114.93 120.77 1tub h MET 425 Ca -0.23 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.19 1tub h MET 425 Cb 2.09 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.89 1tub h MET 425 CO 0.23 0.16 0.00 -1.71 0.23 0.00 0.00 176.91 175.83 1tub n ASN 426 N -3.09 0.00 0.17 1.39 4.05 0.03 -2.99 115.26 114.82 1tub n ASN 426 Ca 0.02 0.58 0.09 0.00 0.45 0.00 0.00 54.58 55.72 1tub n ASN 426 Cb 0.61 -0.30 0.16 0.00 1.23 0.00 0.00 39.78 41.47 1tub n ASN 426 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 177.26 174.65 1tub h ASP 427 N 0.00 0.00 -0.94 1.20 3.32 -1.67 16.75 116.42 135.08 1tub h ASP 427 Ca 0.00 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.16 1tub h ASP 427 Cb 0.00 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.47 1tub h ASP 427 CO 0.00 0.00 0.57 0.25 -1.72 0.00 0.00 179.24 178.34 1tub h LEU 428 N 0.00 0.83 -0.27 1.55 5.85 -1.63 7.26 115.31 128.89 1tub h LEU 428 Ca 0.15 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 1tub h LEU 428 Cb 2.23 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 43.14 1tub h LEU 428 CO -0.00 0.44 -0.10 0.58 -0.34 0.00 0.00 178.44 179.02 1tub h VAL 429 N 0.91 1.29 -0.05 1.05 2.07 3.84 0.16 116.25 125.52 1tub h VAL 429 Ca 0.46 -1.16 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 1tub h VAL 429 Cb 0.46 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1tub h VAL 429 CO -0.27 0.37 -0.27 0.77 0.02 0.00 0.00 177.57 178.19 1tub h SER 430 N 0.30 0.33 -0.68 0.57 4.64 -0.65 -2.23 113.55 115.84 1tub h SER 430 Ca 0.07 -0.66 -0.05 0.00 -0.47 0.00 0.00 61.79 60.68 1tub h SER 430 Cb 0.59 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 1tub h SER 430 CO 0.03 0.94 0.25 -0.33 -0.87 0.00 0.00 176.83 176.85 1tub h GLU 431 N -0.25 1.05 0.12 4.77 5.08 1.51 0.14 114.58 127.00 1tub h GLU 431 Ca -0.02 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1tub h GLU 431 Cb 0.94 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1tub h GLU 431 CO 0.06 0.87 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.96 1tub h TYR 432 N 1.02 -0.15 -0.51 4.33 3.20 -0.72 -2.03 116.97 122.12 1tub h TYR 432 Ca 0.23 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.19 1tub h TYR 432 Cb 0.24 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 1tub h TYR 432 CO 0.02 -0.04 0.34 0.37 -1.64 0.00 0.00 178.16 177.21 1tub h GLN 433 N -0.21 0.30 -1.28 1.82 4.15 -1.04 -1.71 115.11 117.14 1tub h GLN 433 Ca -0.02 -0.02 0.42 0.00 0.77 0.00 0.00 58.65 59.81 1tub h GLN 433 Cb 0.17 -0.07 -0.13 0.00 0.21 0.00 0.00 27.48 27.66 1tub h GLN 433 CO 0.03 0.20 0.82 1.96 -1.93 0.00 0.00 178.83 179.90 1tub h GLN 434 N 0.31 0.10 -6.33 1.69 4.20 0.05 -3.11 115.11 112.01 1tub h GLN 434 Ca 0.23 -0.01 -0.57 0.00 0.06 0.00 0.00 58.65 58.37 1tub h GLN 434 Cb 0.52 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.22 1tub h GLN 434 CO -0.05 0.06 0.93 0.71 -0.67 0.00 0.00 178.83 179.82 1tub s TYR 435 N -5.33 2.81 -0.56 2.96 1.51 -0.64 -3.90 117.35 114.19 1tub s TYR 435 Ca -0.08 0.96 -0.03 0.00 -1.01 0.00 0.00 57.07 56.91 1tub s TYR 435 Cb 0.30 -3.83 -0.03 0.00 -0.11 0.00 0.00 41.96 38.29 1tub s TYR 435 CO 0.82 -1.49 0.50 0.00 -1.11 0.00 0.00 175.55 174.27 1tub n GLN 436 N 7.15 -1.18 0.00 -0.62 -0.00 -1.19 -4.90 117.38 116.65 1tub n GLN 436 Ca 0.14 0.59 0.11 0.00 -0.00 0.00 0.00 57.00 57.83 1tub n GLN 436 Cb 0.47 -3.94 0.09 0.00 -0.00 0.00 0.00 30.24 26.86 1tub n GLN 436 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81