#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uww s LEU 2 N 0.00 2.12 0.78 0.00 1.02 -1.26 -4.49 118.68 116.85 2uww s LEU 2 Ca 0.00 -0.53 -0.14 0.00 0.02 0.00 0.00 54.13 53.48 2uww s LEU 2 Cb 0.00 -1.32 0.07 0.00 0.02 0.00 0.00 46.19 44.96 2uww s LEU 2 CO 0.00 0.29 1.21 -0.76 0.02 0.00 0.00 176.35 177.11 2uww s LEU 3 N -0.94 3.20 0.55 1.79 1.43 -1.26 -4.88 118.68 118.57 2uww s LEU 3 Ca 0.11 2.36 0.24 0.00 -1.03 0.00 0.00 54.13 55.81 2uww s LEU 3 Cb -0.10 -4.59 1.45 0.00 0.03 0.00 0.00 46.19 42.98 2uww s LEU 3 CO 0.01 -2.53 2.07 0.77 0.23 0.00 0.00 176.35 176.90 2uww h SER 4 N -0.71 0.00 -0.39 2.29 4.64 -2.07 -1.60 113.55 115.72 2uww h SER 4 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2uww h SER 4 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2uww h SER 4 CO 0.47 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 178.65 2uww n PHE 5 N -4.24 0.51 0.08 4.77 1.16 -1.26 -4.68 117.46 113.80 2uww n PHE 5 Ca 0.04 -0.37 -0.10 0.00 -1.87 0.00 0.00 57.45 55.15 2uww n PHE 5 Cb 0.38 -0.01 -0.08 0.00 -1.61 0.00 0.00 39.48 38.16 2uww n PHE 5 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 2uww h GLU 6 N 3.09 0.15 -0.87 3.97 4.81 -1.64 -3.38 114.58 120.71 2uww h GLU 6 Ca 0.00 -0.21 0.04 0.00 -0.13 0.00 0.00 59.36 59.05 2uww h GLU 6 Cb 0.81 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.21 2uww h GLU 6 CO 0.00 1.04 0.56 -0.09 -0.73 0.00 0.00 179.01 179.79 2uww h ARG 7 N 0.06 1.06 -0.00 1.92 2.43 -1.83 -1.78 114.38 116.23 2uww h ARG 7 Ca -0.06 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2uww h ARG 7 Cb 1.71 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 31.02 2uww h ARG 7 CO 0.15 0.70 0.01 1.57 -1.51 0.00 0.00 179.97 180.89 2uww h LYS 8 N 1.09 0.00 0.00 0.20 2.10 -1.96 -0.90 116.57 117.10 2uww h LYS 8 Ca 0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 2uww h LYS 8 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 2uww h LYS 8 CO -0.12 0.00 -0.55 0.66 -2.00 0.00 0.00 179.45 177.44 2uww n TYR 9 N -3.32 0.36 -1.79 0.07 4.01 -0.67 -4.59 117.16 111.24 2uww n TYR 9 Ca -0.03 0.11 -0.40 0.00 -0.16 0.00 0.00 57.90 57.42 2uww n TYR 9 Cb 0.08 -0.53 -0.01 0.00 -0.31 0.00 0.00 39.34 38.57 2uww n TYR 9 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2uww n ARG 10 N -1.90 4.09 -3.21 -0.72 1.74 -0.34 -4.89 116.66 111.43 2uww n ARG 10 Ca 0.04 -3.00 -0.20 0.00 -0.77 0.00 0.00 57.85 53.92 2uww n ARG 10 Cb 0.40 -2.76 0.01 0.00 -1.02 0.00 0.00 32.46 29.09 2uww n ARG 10 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2uww s VAL 11 N 0.39 3.88 0.55 1.55 -7.23 -1.26 -5.08 120.40 113.19 2uww s VAL 11 Ca 0.57 -0.80 -0.18 0.00 -1.81 0.00 0.00 61.98 59.76 2uww s VAL 11 Cb 0.17 -3.38 -0.06 0.00 0.56 0.00 0.00 36.38 33.68 2uww s VAL 11 CO -0.07 -0.20 1.08 -2.16 -0.31 0.00 0.00 175.10 173.44 2uww s PRO 12 N -4.36 3.46 0.00 4.82 0.04 -1.26 -4.99 135.00 132.71 2uww s PRO 12 Ca 0.48 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2uww s PRO 12 Cb -0.10 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2uww s PRO 12 CO 0.34 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 177.07 2uww n GLY 13 N -0.35 2.98 0.00 0.56 0.00 -1.26 -5.05 105.19 102.07 2uww n GLY 13 Ca 0.10 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.09 2uww n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uww n GLY 14 N -0.87 0.50 3.77 -0.02 0.00 -1.26 -4.41 105.19 102.90 2uww n GLY 14 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2uww n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2uww s THR 15 N -2.06 2.99 -0.13 2.61 -4.23 -1.26 -4.59 115.64 108.97 2uww s THR 15 Ca 0.00 0.59 0.13 0.00 -1.18 0.00 0.00 61.69 61.23 2uww s THR 15 Cb 0.00 -3.20 -0.24 0.00 1.34 0.00 0.00 72.50 70.40 2uww s THR 15 CO 0.00 -0.16 0.32 0.18 -0.54 0.00 0.00 174.62 174.41 2uww n LEU 16 N -1.60 0.71 -3.84 4.79 4.32 -1.26 -4.89 117.00 115.22 2uww n LEU 16 Ca 0.12 0.18 -0.13 0.00 -0.02 0.00 0.00 56.01 56.16 2uww n LEU 16 Cb 0.51 0.18 -0.14 0.00 -1.62 0.00 0.00 43.42 42.34 2uww n LEU 16 CO 0.44 0.50 -0.35 -0.69 -1.22 0.00 0.00 177.39 176.07 2uww s VAL 17 N -2.54 -0.01 0.00 4.08 1.01 -1.26 -4.91 120.40 116.77 2uww s VAL 17 Ca -0.10 0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2uww s VAL 17 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 36.38 36.41 2uww s VAL 17 CO 0.81 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.54 2uww n GLY 18 N 3.35 0.52 7.00 4.51 0.00 -1.26 -4.46 105.19 114.85 2uww n GLY 18 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2uww n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uww n GLY 19 N -2.00 3.56 0.12 -0.02 0.00 -1.26 -1.43 105.19 104.16 2uww n GLY 19 Ca 0.00 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.25 2uww n GLY 19 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2uww n ASN 20 N 5.66 0.53 -0.24 1.61 2.04 -1.26 -4.43 115.26 119.18 2uww n ASN 20 Ca 0.00 -0.54 0.03 0.00 -0.44 0.00 0.00 54.58 53.62 2uww n ASN 20 Cb 0.00 -0.05 0.15 0.00 -2.53 0.00 0.00 39.78 37.35 2uww n ASN 20 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 2uww h LEU 21 N 0.60 0.28 -3.15 -4.53 6.46 -1.60 -2.44 115.31 110.93 2uww h LEU 21 Ca 0.00 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2uww h LEU 21 Cb 0.40 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 2uww h LEU 21 CO 0.00 0.14 0.00 0.49 -0.62 0.00 0.00 178.44 178.45 2uww n PHE 22 N -4.98 0.54 -2.61 1.25 3.01 -1.26 -4.90 117.46 108.51 2uww n PHE 22 Ca 0.12 -0.92 -0.43 0.00 1.01 0.00 0.00 57.45 57.23 2uww n PHE 22 Cb 0.34 -0.24 -0.00 0.00 -0.01 0.00 0.00 39.48 39.57 2uww n PHE 22 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2uww s ASP 23 N -2.29 6.84 0.22 4.37 2.15 -0.92 -0.96 116.67 126.07 2uww s ASP 23 Ca 0.37 -2.44 -0.22 0.00 0.43 0.00 0.00 52.55 50.69 2uww s ASP 23 Cb 0.31 -2.56 0.06 0.00 -0.30 0.00 0.00 42.92 40.43 2uww s ASP 23 CO 0.06 -1.15 0.93 0.72 -0.17 0.00 0.00 175.17 175.56 2uww s PHE 24 N 4.04 -0.03 0.24 -5.34 -0.12 -1.26 -5.01 117.98 110.48 2uww s PHE 24 Ca 0.53 -0.38 0.11 0.00 -0.05 0.00 0.00 56.93 57.14 2uww s PHE 24 Cb 0.03 0.70 -0.05 0.00 -0.63 0.00 0.00 43.02 43.08 2uww s PHE 24 CO 0.06 -1.03 -0.20 -1.58 -0.05 0.00 0.00 175.22 172.42 2uww s TRP 25 N -2.87 2.33 -0.30 3.49 0.51 -1.26 -0.78 118.94 120.07 2uww s TRP 25 Ca 0.15 -0.33 0.03 0.00 -2.12 0.00 0.00 56.10 53.83 2uww s TRP 25 Cb -0.03 -1.08 0.09 0.00 -0.81 0.00 0.00 33.47 31.63 2uww s TRP 25 CO 0.05 0.61 0.00 0.08 -0.51 0.00 0.00 176.95 177.18 2uww s VAL 26 N -2.09 2.00 0.00 4.03 1.01 0.38 -4.93 120.40 120.80 2uww s VAL 26 Ca 0.26 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.31 2uww s VAL 26 Cb -0.07 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.95 2uww s VAL 26 CO 0.13 -0.41 0.00 0.61 0.00 0.00 0.00 175.10 175.43 2uww n GLY 27 N 4.41 3.53 0.17 4.51 0.00 -1.26 -2.05 105.19 114.50 2uww n GLY 27 Ca -0.03 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.94 2uww n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2uww h PRO 28 N 0.00 0.00 -6.35 1.61 0.13 -1.96 -3.46 132.00 121.97 2uww h PRO 28 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 2uww h PRO 28 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2uww h PRO 28 CO 0.00 0.44 0.59 -0.06 -0.23 0.00 0.00 178.00 178.74 2uww s PHE 29 N -3.28 3.39 0.48 1.56 0.08 -0.87 -5.03 117.98 114.30 2uww s PHE 29 Ca 0.02 1.40 -0.22 0.00 0.12 0.00 0.00 56.93 58.25 2uww s PHE 29 Cb 0.09 -3.32 -0.07 0.00 -0.57 0.00 0.00 43.02 39.15 2uww s PHE 29 CO 0.71 -0.85 1.12 -0.47 -0.10 0.00 0.00 175.22 175.64 2uww s TYR 30 N 1.76 2.89 0.00 0.36 5.04 -1.26 -0.47 117.35 125.66 2uww s TYR 30 Ca 0.54 1.56 0.00 0.00 -2.44 0.00 0.00 57.07 56.73 2uww s TYR 30 Cb -0.23 -3.28 0.00 0.00 0.35 0.00 0.00 41.96 38.80 2uww s TYR 30 CO 0.23 -1.31 0.00 0.28 -1.34 0.00 0.00 175.55 173.41 2uww n VAL 31 N -0.73 0.00 -0.49 3.14 0.31 0.04 -4.86 118.33 115.75 2uww n VAL 31 Ca 0.08 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.48 2uww n VAL 31 Cb 0.50 -0.58 -0.03 0.00 -0.91 0.00 0.00 33.84 32.82 2uww n VAL 31 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2uww n GLY 32 N 3.02 -2.45 0.36 2.92 0.00 -0.14 -2.07 105.19 106.83 2uww n GLY 32 Ca 0.00 -1.34 0.07 0.00 0.00 0.00 0.00 46.02 44.74 2uww n GLY 32 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2uww h PHE 33 N -0.48 1.13 0.00 1.61 3.57 -1.80 -1.91 116.94 119.06 2uww h PHE 33 Ca -0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2uww h PHE 33 Cb 0.47 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 2uww h PHE 33 CO 0.01 0.45 -0.05 0.74 -2.23 0.00 0.00 178.31 177.23 2uww h PHE 34 N 0.98 0.00 -0.39 0.41 0.04 -1.88 -0.97 116.94 115.13 2uww h PHE 34 Ca 0.49 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.20 2uww h PHE 34 Cb 0.48 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 2uww h PHE 34 CO -0.01 0.05 -0.01 0.78 -0.60 0.00 0.00 178.31 178.52 2uww h GLY 35 N 3.25 0.75 0.95 -1.45 0.00 -0.77 0.10 103.07 105.90 2uww h GLY 35 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 2uww h GLY 35 CO 0.01 0.51 0.17 -2.08 0.00 0.00 0.00 176.54 175.15 2uww h VAL 36 N 0.52 1.14 -0.21 4.60 2.07 -1.09 -1.14 116.25 122.13 2uww h VAL 36 Ca 0.11 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 2uww h VAL 36 Cb 0.49 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2uww h VAL 36 CO 0.02 0.15 0.12 0.00 0.02 0.00 0.00 177.57 177.89 2uww h ALA 37 N 1.03 0.27 -0.47 1.67 0.00 -1.15 -0.83 119.26 119.79 2uww h ALA 37 Ca 0.12 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2uww h ALA 37 Cb 0.08 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2uww h ALA 37 CO -0.02 -0.22 0.17 1.15 0.00 0.00 0.00 179.25 180.34 2uww h THR 38 N 0.25 0.85 -0.40 0.00 2.02 -0.66 -0.36 112.91 114.61 2uww h THR 38 Ca 0.08 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.16 2uww h THR 38 Cb 0.03 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 2uww h THR 38 CO -0.01 0.06 0.22 0.15 0.37 0.00 0.00 175.52 176.31 2uww h PHE 39 N 0.34 0.42 0.18 3.16 3.57 -0.87 0.52 116.94 124.26 2uww h PHE 39 Ca 0.22 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 2uww h PHE 39 Cb 0.22 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.83 2uww h PHE 39 CO -0.15 0.24 -0.09 0.35 -2.23 0.00 0.00 178.31 176.42 2uww h PHE 40 N 0.45 -0.22 -0.61 0.41 3.57 -0.58 0.11 116.94 120.07 2uww h PHE 40 Ca 0.16 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2uww h PHE 40 Cb 0.03 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 2uww h PHE 40 CO -0.08 -0.09 0.35 0.74 -2.23 0.00 0.00 178.31 177.00 2uww h PHE 41 N -0.31 0.83 -0.32 0.41 0.04 -0.96 -0.98 116.94 115.65 2uww h PHE 41 Ca -0.02 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.65 2uww h PHE 41 Cb 0.24 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 2uww h PHE 41 CO -0.05 0.58 -0.12 0.00 -0.60 0.00 0.00 178.31 178.13 2uww h ALA 42 N 1.17 0.45 0.09 2.45 0.00 -0.78 -0.56 119.26 122.08 2uww h ALA 42 Ca 0.22 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2uww h ALA 42 Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2uww h ALA 42 CO -0.04 0.32 -0.04 0.00 0.00 0.00 0.00 179.25 179.49 2uww h ALA 43 N 0.78 -0.12 -0.09 0.00 0.00 -0.62 0.73 119.26 119.94 2uww h ALA 43 Ca 0.08 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2uww h ALA 43 Cb 0.63 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2uww h ALA 43 CO 0.04 -0.56 0.01 1.25 0.00 0.00 0.00 179.25 179.99 2uww h LEU 44 N -0.14 -0.00 -0.40 0.00 6.46 -1.15 -0.60 115.31 119.48 2uww h LEU 44 Ca -0.01 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.83 2uww h LEU 44 Cb 0.11 0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.00 2uww h LEU 44 CO 0.02 0.01 0.02 1.23 -0.62 0.00 0.00 178.44 179.10 2uww h GLY 45 N 0.05 0.41 0.99 3.75 0.00 -0.92 -0.20 103.07 107.15 2uww h GLY 45 Ca 0.04 0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 2uww h GLY 45 CO -0.05 -0.09 0.04 -2.22 0.00 0.00 0.00 176.54 174.22 2uww h ILE 46 N 0.13 1.26 -0.53 2.60 2.04 -0.65 -1.28 117.51 121.07 2uww h ILE 46 Ca 0.20 -1.00 0.04 0.00 1.00 0.00 0.00 64.86 65.10 2uww h ILE 46 Cb 0.27 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 2uww h ILE 46 CO -0.31 0.35 0.29 0.40 0.00 0.00 0.00 178.15 178.87 2uww h ILE 47 N 0.68 0.98 -0.23 -0.67 2.04 -0.78 -1.05 117.51 118.48 2uww h ILE 47 Ca 0.14 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 2uww h ILE 47 Cb 0.46 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2uww h ILE 47 CO 0.02 0.10 -0.19 -0.07 0.00 0.00 0.00 178.15 178.01 2uww h LEU 48 N 0.56 0.39 -0.35 1.44 3.38 -0.82 0.00 115.31 119.92 2uww h LEU 48 Ca 0.23 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2uww h LEU 48 Cb 0.11 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2uww h LEU 48 CO -0.14 0.60 0.10 0.40 0.09 0.00 0.00 178.44 179.48 2uww h ILE 49 N 0.37 1.21 -0.92 1.22 2.04 -0.94 0.11 117.51 120.60 2uww h ILE 49 Ca 0.06 -0.71 0.05 0.00 1.00 0.00 0.00 64.86 65.26 2uww h ILE 49 Cb 0.54 1.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 2uww h ILE 49 CO 0.04 0.24 0.59 0.00 0.00 0.00 0.00 178.15 179.02 2uww h ALA 50 N 0.94 1.24 -0.55 1.87 0.00 -0.65 0.88 119.26 122.99 2uww h ALA 50 Ca 0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2uww h ALA 50 Cb 0.27 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2uww h ALA 50 CO -0.00 0.42 0.15 2.35 0.00 0.00 0.00 179.25 182.17 2uww h TRP 51 N 1.12 0.90 -0.77 0.00 7.01 -0.82 -2.05 115.95 121.35 2uww h TRP 51 Ca 0.38 -0.10 0.04 0.00 2.11 0.00 0.00 58.89 61.32 2uww h TRP 51 Cb 0.07 -0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 26.83 2uww h TRP 51 CO -0.01 0.78 0.51 1.03 -2.79 0.00 0.00 178.44 177.95 2uww h SER 52 N 0.77 0.79 -0.75 2.65 0.87 -0.24 -1.84 113.55 115.80 2uww h SER 52 Ca 0.17 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 2uww h SER 52 Cb 0.32 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 2uww h SER 52 CO -0.00 0.54 0.30 0.00 -0.53 0.00 0.00 176.83 177.13 2uww h ALA 53 N 1.56 0.98 -0.35 6.23 0.00 -0.31 0.50 119.26 127.87 2uww h ALA 53 Ca 0.31 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2uww h ALA 53 Cb 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2uww h ALA 53 CO -0.09 0.61 0.01 0.28 0.00 0.00 0.00 179.25 180.06 2uww h VAL 54 N 1.09 1.25 0.00 0.00 2.07 -0.83 0.32 116.25 120.15 2uww h VAL 54 Ca 0.25 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 2uww h VAL 54 Cb 0.22 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2uww h VAL 54 CO -0.02 0.31 -0.16 -0.07 0.02 0.00 0.00 177.57 177.65 2uww h LEU 55 N 0.43 0.00 0.00 2.57 3.38 -1.15 -2.26 115.31 118.27 2uww h LEU 55 Ca 0.10 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 2uww h LEU 55 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2uww h LEU 55 CO 0.02 0.16 -0.93 -0.61 0.09 0.00 0.00 178.44 177.16 2uww h GLN 56 N 0.00 0.00 0.00 1.13 4.15 -0.48 -3.49 115.11 116.42 2uww h GLN 56 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2uww h GLN 56 Cb 0.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.00 2uww h GLN 56 CO 0.02 0.57 0.00 0.41 -1.93 0.00 0.00 178.83 177.91 2uww n GLY 57 N 1.32 0.78 3.12 2.39 0.00 0.11 -5.08 105.19 107.83 2uww n GLY 57 Ca -0.03 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 2uww n GLY 57 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2uww s THR 58 N -2.00 0.10 -1.01 2.61 -1.32 -0.82 -5.03 115.64 108.17 2uww s THR 58 Ca 0.00 -0.84 0.08 0.00 -1.21 0.00 0.00 61.69 59.73 2uww s THR 58 Cb 0.00 -0.62 0.08 0.00 -1.51 0.00 0.00 72.50 70.45 2uww s THR 58 CO 0.00 -0.46 0.81 0.79 -2.21 0.00 0.00 174.62 173.55 2uww n TRP 59 N 1.16 0.03 -2.29 9.09 5.03 -1.26 -4.47 117.44 124.73 2uww n TRP 59 Ca -0.21 -0.05 -0.42 0.00 3.03 0.00 0.00 57.50 59.84 2uww n TRP 59 Cb 0.57 -0.00 -0.03 0.00 -1.03 0.00 0.00 31.31 30.82 2uww n TRP 59 CO 0.00 0.00 0.00 1.21 -0.03 0.00 0.00 177.69 178.87 2uww s ASN 60 N -0.73 6.89 0.43 -0.99 3.84 -1.26 -4.91 114.94 118.22 2uww s ASN 60 Ca 0.11 1.97 0.13 0.00 0.21 0.00 0.00 52.86 55.28 2uww s ASN 60 Cb 0.07 -2.55 1.01 0.00 -0.55 0.00 0.00 41.25 39.23 2uww s ASN 60 CO 0.11 -0.72 2.00 -0.65 -2.79 0.00 0.00 177.10 175.04 2uww h PRO 61 N 8.01 0.41 0.00 0.43 0.11 -1.95 0.18 132.00 139.19 2uww h PRO 61 Ca -0.35 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2uww h PRO 61 Cb 1.16 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2uww h PRO 61 CO 0.92 0.27 0.00 1.04 -0.21 0.00 0.00 178.00 180.02 2uww n GLN 62 N -4.47 0.00 -0.04 1.05 6.02 -1.26 -3.94 117.38 114.73 2uww n GLN 62 Ca 0.08 0.06 -0.05 0.00 -0.01 0.00 0.00 57.00 57.09 2uww n GLN 62 Cb 0.31 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.01 2uww n GLN 62 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2uww n LEU 63 N -1.50 0.40 -4.67 1.08 4.77 -0.04 -4.54 117.00 112.50 2uww n LEU 63 Ca 0.06 -0.01 -0.47 0.00 -0.03 0.00 0.00 56.01 55.56 2uww n LEU 63 Cb 0.30 0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 2uww n LEU 63 CO 0.24 0.27 1.25 -0.38 -1.33 0.00 0.00 177.39 177.43 2uww n ILE 64 N -2.37 0.14 -3.70 -0.08 5.41 0.43 -4.95 119.36 114.24 2uww n ILE 64 Ca -0.14 -0.03 -0.11 0.00 1.00 0.00 0.00 62.75 63.47 2uww n ILE 64 Cb 0.76 -1.56 -0.12 0.00 -0.71 0.00 0.00 39.64 38.01 2uww n ILE 64 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2uww s SER 65 N 1.67 -0.31 -0.31 4.38 0.15 -1.26 -4.31 113.70 113.71 2uww s SER 65 Ca 0.83 0.75 -0.07 0.00 0.70 0.00 0.00 55.95 58.15 2uww s SER 65 Cb -0.71 0.70 0.02 0.00 -1.71 0.00 0.00 66.02 64.32 2uww s SER 65 CO 0.42 -0.19 0.10 -0.69 1.20 0.00 0.00 173.24 174.08 2uww s VAL 66 N 1.59 4.00 0.01 4.45 1.01 -0.17 -4.94 120.40 126.35 2uww s VAL 66 Ca -0.08 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 2uww s VAL 66 Cb -0.10 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 2uww s VAL 66 CO -0.11 -0.01 0.25 -0.31 0.00 0.00 0.00 175.10 174.92 2uww s TYR 67 N 1.49 3.56 0.87 5.22 1.51 -1.26 -0.32 117.35 128.41 2uww s TYR 67 Ca 0.02 0.49 -0.12 0.00 -1.01 0.00 0.00 57.07 56.45 2uww s TYR 67 Cb -0.18 -1.93 0.11 0.00 -0.11 0.00 0.00 41.96 39.85 2uww s TYR 67 CO 0.03 0.61 1.10 -1.25 -1.11 0.00 0.00 175.55 174.93 2uww s PRO 68 N -1.91 1.50 0.31 -1.71 0.04 -1.26 -4.23 135.00 127.75 2uww s PRO 68 Ca 0.29 0.63 -0.28 0.00 0.04 0.00 0.00 61.00 61.67 2uww s PRO 68 Cb -0.13 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.43 2uww s PRO 68 CO 0.18 -2.03 1.17 -2.30 0.04 0.00 0.00 177.00 174.06 2uww n PRO 69 N -3.71 1.78 -0.78 0.56 -0.02 -1.26 -4.69 135.00 126.89 2uww n PRO 69 Ca 0.07 0.62 -0.32 0.00 -2.02 0.00 0.00 63.50 61.85 2uww n PRO 69 Cb 0.56 -2.12 0.14 0.00 -0.02 0.00 0.00 33.50 32.07 2uww n PRO 69 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2uww n ALA 70 N 0.34 -1.81 0.15 3.55 0.00 -1.26 -2.53 120.51 118.95 2uww n ALA 70 Ca 0.07 -0.57 0.15 0.00 0.00 0.00 0.00 53.44 53.09 2uww n ALA 70 Cb 0.34 -1.96 0.71 0.00 0.00 0.00 0.00 19.45 18.53 2uww n ALA 70 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2uww h LEU 71 N -1.62 0.00 -2.18 0.00 3.38 -1.92 -2.31 115.31 110.66 2uww h LEU 71 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2uww h LEU 71 Cb 1.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 2uww h LEU 71 CO 0.37 0.00 0.00 1.05 0.09 0.00 0.00 178.44 179.96 2uww h GLU 72 N 0.00 0.00 0.00 1.13 4.11 -1.99 -0.61 114.58 117.22 2uww h GLU 72 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.55 2uww h GLU 72 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2uww h GLU 72 CO -0.00 0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.74 2uww n TYR 73 N -4.28 0.16 -0.09 2.06 4.01 -0.87 -4.96 117.16 113.20 2uww n TYR 73 Ca -0.03 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2uww n TYR 73 Cb 0.09 -0.60 0.00 0.00 -0.31 0.00 0.00 39.34 38.53 2uww n TYR 73 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2uww n GLY 74 N 0.29 3.23 1.74 2.72 0.00 -0.24 -1.29 105.19 111.64 2uww n GLY 74 Ca 0.04 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.07 2uww n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2uww n LEU 75 N 0.00 5.22 -4.96 0.99 4.77 -1.23 -2.26 117.00 119.52 2uww n LEU 75 Ca 0.00 -2.64 -0.28 0.00 -0.03 0.00 0.00 56.01 53.06 2uww n LEU 75 Cb 0.00 -0.63 0.17 0.00 -2.33 0.00 0.00 43.42 40.62 2uww n LEU 75 CO 0.00 0.72 0.77 -0.83 -1.33 0.00 0.00 177.39 176.71 2uww s GLY 76 N -0.83 1.78 0.88 -0.72 0.00 -0.42 -4.98 107.32 103.05 2uww s GLY 76 Ca 0.52 -1.47 -0.12 0.00 0.00 0.00 0.00 44.72 43.66 2uww s GLY 76 CO 0.20 -0.74 1.11 -0.32 0.00 0.00 0.00 173.10 173.36 2uww s GLY 77 N -4.87 1.59 0.03 0.20 0.00 -1.26 -4.99 107.32 98.02 2uww s GLY 77 Ca 0.72 -0.34 -0.04 0.00 0.00 0.00 0.00 44.72 45.06 2uww s GLY 77 CO 0.50 0.17 0.06 0.00 0.00 0.00 0.00 173.10 173.84 2uww s ALA 78 N -3.15 -0.01 0.47 3.20 0.00 -1.26 -5.00 121.76 116.01 2uww s ALA 78 Ca 0.63 -0.55 -0.23 0.00 0.00 0.00 0.00 51.96 51.81 2uww s ALA 78 Cb -0.16 0.21 -0.09 0.00 0.00 0.00 0.00 23.12 23.08 2uww s ALA 78 CO 0.55 -0.27 1.00 -2.30 0.00 0.00 0.00 175.76 174.74 2uww n PRO 79 N 1.01 1.26 -0.12 0.00 -0.02 -1.26 -3.49 135.00 132.39 2uww n PRO 79 Ca -0.20 0.46 -0.05 0.00 -2.02 0.00 0.00 63.50 61.68 2uww n PRO 79 Cb 0.57 -2.09 0.01 0.00 -0.02 0.00 0.00 33.50 31.97 2uww n PRO 79 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2uww h LEU 80 N 1.27 -0.66 0.00 2.45 4.07 -1.94 0.24 115.31 120.74 2uww h LEU 80 Ca -0.46 0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.65 2uww h LEU 80 Cb 1.34 0.36 0.00 0.00 1.08 0.00 0.00 40.66 43.44 2uww h LEU 80 CO 0.55 -0.22 0.00 0.00 -1.08 0.00 0.00 178.44 177.69 2uww n ALA 81 N -2.86 2.13 -1.83 1.53 0.00 -1.26 -1.59 120.51 116.62 2uww n ALA 81 Ca 0.02 -0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.37 2uww n ALA 81 Cb 0.28 -1.35 0.15 0.00 0.00 0.00 0.00 19.45 18.53 2uww n ALA 81 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2uww n LYS 82 N -1.29 1.69 0.00 0.00 5.02 0.71 -4.92 118.16 119.37 2uww n LYS 82 Ca 0.10 -3.27 0.00 0.00 -2.02 0.00 0.00 58.31 53.13 2uww n LYS 82 Cb 0.17 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 2uww n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2uww n GLY 83 N -0.81 1.69 0.28 0.72 0.00 -0.99 -4.33 105.19 101.74 2uww n GLY 83 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 2uww n GLY 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2uww h GLY 84 N 0.00 1.04 1.00 -0.02 0.00 -1.09 -1.91 103.07 102.09 2uww h GLY 84 Ca 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.44 2uww h GLY 84 CO 0.00 0.80 0.37 1.41 0.00 0.00 0.00 176.54 179.12 2uww h LEU 85 N 0.82 0.84 -0.68 3.11 3.38 -1.52 -1.27 115.31 119.99 2uww h LEU 85 Ca 0.12 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.07 2uww h LEU 85 Cb 0.71 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 2uww h LEU 85 CO 0.05 0.69 0.35 -0.25 0.09 0.00 0.00 178.44 179.37 2uww h TRP 86 N 0.92 0.63 -0.68 1.13 7.01 -1.72 0.12 115.95 123.37 2uww h TRP 86 Ca 0.24 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.21 2uww h TRP 86 Cb 0.04 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 26.89 2uww h TRP 86 CO -0.01 0.26 0.21 1.96 -2.79 0.00 0.00 178.44 178.07 2uww h GLN 87 N 0.61 1.05 -0.06 2.65 4.20 -0.68 -0.30 115.11 122.59 2uww h GLN 87 Ca 0.32 -0.22 -0.16 0.00 0.06 0.00 0.00 58.65 58.65 2uww h GLN 87 Cb 0.29 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 27.93 2uww h GLN 87 CO -0.23 0.91 -0.57 0.82 -0.67 0.00 0.00 178.83 179.08 2uww h ILE 88 N 0.98 1.39 -0.98 2.54 2.04 -0.87 -2.63 117.51 119.98 2uww h ILE 88 Ca 0.22 -1.95 0.11 0.00 1.00 0.00 0.00 64.86 64.24 2uww h ILE 88 Cb 0.29 2.36 -0.08 0.00 -0.74 0.00 0.00 36.82 38.66 2uww h ILE 88 CO -0.01 0.58 0.61 0.40 0.00 0.00 0.00 178.15 179.73 2uww h ILE 89 N 0.05 0.94 -0.67 -0.67 2.04 -0.69 -0.77 117.51 117.73 2uww h ILE 89 Ca -0.06 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.40 2uww h ILE 89 Cb 1.24 -0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2uww h ILE 89 CO 0.12 0.18 0.16 0.74 0.00 0.00 0.00 178.15 179.35 2uww h THR 90 N 0.99 1.26 -0.74 -0.27 2.02 -1.00 0.26 112.91 115.42 2uww h THR 90 Ca 0.48 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 2uww h THR 90 Cb 0.44 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 2uww h THR 90 CO -0.25 0.36 0.41 0.40 0.37 0.00 0.00 175.52 176.81 2uww h ILE 91 N 1.00 1.23 -0.02 3.11 2.04 -1.06 -1.63 117.51 122.18 2uww h ILE 91 Ca 0.21 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 2uww h ILE 91 Cb 0.37 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2uww h ILE 91 CO 0.00 0.25 0.01 0.00 0.00 0.00 0.00 178.15 178.41 2uww h ALA 93 N 0.92 -0.01 -0.28 0.00 0.00 -0.49 0.16 119.26 119.57 2uww h ALA 93 Ca 0.01 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2uww h ALA 93 Cb 0.09 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2uww h ALA 93 CO -0.00 -0.60 0.16 1.15 0.00 0.00 0.00 179.25 179.96 2uww h THR 94 N -0.17 1.04 -0.53 0.00 2.02 -1.20 0.63 112.91 114.70 2uww h THR 94 Ca 0.15 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.25 2uww h THR 94 Cb 0.41 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 2uww h THR 94 CO -0.39 0.06 0.30 1.23 0.37 0.00 0.00 175.52 177.09 2uww h GLY 95 N 0.34 0.75 0.99 2.16 0.00 -0.79 -1.50 103.07 105.01 2uww h GLY 95 Ca 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 2uww h GLY 95 CO -0.05 0.17 0.27 0.00 0.00 0.00 0.00 176.54 176.93 2uww h ALA 96 N 1.25 0.74 -0.17 3.60 0.00 -0.20 0.13 119.26 124.60 2uww h ALA 96 Ca 0.22 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2uww h ALA 96 Cb 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2uww h ALA 96 CO -0.11 0.31 -0.20 0.74 0.00 0.00 0.00 179.25 179.99 2uww h PHE 97 N 0.78 0.53 -0.36 0.00 0.04 -0.69 0.04 116.94 117.28 2uww h PHE 97 Ca 0.20 -0.17 -0.09 0.00 2.80 0.00 0.00 57.97 60.71 2uww h PHE 97 Cb 0.13 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 2uww h PHE 97 CO -0.00 0.83 -0.14 0.28 -0.60 0.00 0.00 178.31 178.67 2uww h VAL 98 N 0.08 1.28 -0.78 -0.55 2.07 -1.29 -1.57 116.25 115.49 2uww h VAL 98 Ca 0.02 -1.25 0.08 0.00 0.82 0.00 0.00 66.70 66.38 2uww h VAL 98 Cb 0.75 1.34 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 2uww h VAL 98 CO 0.05 0.41 0.44 0.28 0.02 0.00 0.00 177.57 178.77 2uww h SER 99 N 0.51 0.63 -0.52 0.57 0.02 -0.95 -0.68 113.55 113.13 2uww h SER 99 Ca 0.08 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2uww h SER 99 Cb 0.68 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 2uww h SER 99 CO 0.05 0.37 0.34 -0.25 -1.14 0.00 0.00 176.83 176.20 2uww h TRP 100 N 0.76 0.65 -0.78 3.45 2.91 -0.56 -0.01 115.95 122.36 2uww h TRP 100 Ca 0.37 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.37 2uww h TRP 100 Cb 0.31 -0.22 -0.04 0.00 -0.51 0.00 0.00 29.16 28.71 2uww h TRP 100 CO -0.07 0.41 0.36 0.00 -1.03 0.00 0.00 178.44 178.10 2uww h ALA 101 N 1.19 1.01 -0.10 2.65 0.00 -1.01 -1.40 119.26 121.62 2uww h ALA 101 Ca 0.19 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 2uww h ALA 101 Cb -0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 2uww h ALA 101 CO -0.05 0.60 -0.60 -0.07 0.00 0.00 0.00 179.25 179.13 2uww h LEU 102 N 1.11 0.37 -0.63 0.00 4.07 -0.63 -1.72 115.31 117.88 2uww h LEU 102 Ca 0.27 -0.21 -0.08 0.00 0.08 0.00 0.00 57.88 57.94 2uww h LEU 102 Cb 0.15 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 2uww h LEU 102 CO -0.03 0.88 0.10 -0.09 -1.08 0.00 0.00 178.44 178.22 2uww h ARG 103 N 0.24 1.05 -0.96 1.13 2.43 -0.85 -1.94 114.38 115.48 2uww h ARG 103 Ca -0.01 -0.28 0.06 0.00 -0.81 0.00 0.00 59.98 58.94 2uww h ARG 103 Cb 1.12 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.48 2uww h ARG 103 CO 0.10 0.98 0.62 0.93 -1.51 0.00 0.00 179.97 181.09 2uww h GLU 104 N 0.96 1.11 -0.57 0.20 5.08 -0.92 -1.26 114.58 119.18 2uww h GLU 104 Ca 0.19 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2uww h GLU 104 Cb 0.44 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2uww h GLU 104 CO 0.01 0.73 0.34 0.28 -1.00 0.00 0.00 179.01 179.38 2uww h VAL 105 N 1.14 1.17 -0.71 3.13 2.07 -0.81 -0.36 116.25 121.88 2uww h VAL 105 Ca 0.40 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2uww h VAL 105 Cb 0.13 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 2uww h VAL 105 CO -0.15 0.18 0.32 -0.33 0.02 0.00 0.00 177.57 177.61 2uww h GLU 106 N 0.77 1.05 -0.47 1.57 5.08 -0.69 -1.26 114.58 120.63 2uww h GLU 106 Ca 0.21 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2uww h GLU 106 Cb -0.01 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 2uww h GLU 106 CO -0.04 0.84 0.26 0.82 -1.00 0.00 0.00 179.01 179.90 2uww h ILE 107 N 1.01 1.16 -0.54 3.13 2.04 -1.00 -1.46 117.51 121.86 2uww h ILE 107 Ca 0.24 -0.42 0.08 0.00 1.00 0.00 0.00 64.86 65.77 2uww h ILE 107 Cb 0.16 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 2uww h ILE 107 CO -0.03 0.17 0.17 0.00 0.00 0.00 0.00 178.15 178.47 2uww h ARG 109 N 0.34 1.11 -0.32 0.00 3.08 -0.88 -0.62 114.38 117.09 2uww h ARG 109 Ca 0.27 -0.26 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 2uww h ARG 109 Cb 0.32 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2uww h ARG 109 CO -0.29 0.98 -0.31 -0.22 -1.07 0.00 0.00 179.97 179.05 2uww h LYS 110 N 1.06 0.68 -0.00 0.04 3.64 -0.98 -3.12 116.57 117.88 2uww h LYS 110 Ca 0.22 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2uww h LYS 110 Cb 0.36 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2uww h LYS 110 CO 0.00 0.90 -0.17 1.28 -2.27 0.00 0.00 179.45 179.19 2uww n LEU 111 N -4.07 0.34 -1.57 5.20 4.77 -0.32 -4.95 117.00 116.39 2uww n LEU 111 Ca -0.01 0.15 -0.14 0.00 -0.03 0.00 0.00 56.01 55.99 2uww n LEU 111 Cb 0.47 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 2uww n LEU 111 CO 0.45 0.07 -0.18 0.61 -1.33 0.00 0.00 177.39 177.01 2uww n GLY 112 N 1.40 -0.18 3.85 -0.72 0.00 -0.32 -5.02 105.19 104.20 2uww n GLY 112 Ca 0.10 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 2uww n GLY 112 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2uww s ILE 113 N -2.69 3.02 0.90 -0.61 -4.36 -0.72 -5.05 121.20 111.70 2uww s ILE 113 Ca 0.00 -1.39 -0.11 0.00 -0.26 0.00 0.00 60.65 58.90 2uww s ILE 113 Cb 0.00 -3.07 0.13 0.00 1.25 0.00 0.00 42.46 40.77 2uww s ILE 113 CO 0.00 -0.08 1.11 -0.83 0.24 0.00 0.00 174.94 175.37 2uww s GLY 114 N -4.05 1.65 -0.09 6.27 0.00 -1.26 -4.65 107.32 105.20 2uww s GLY 114 Ca 0.44 0.29 0.08 0.00 0.00 0.00 0.00 44.72 45.53 2uww s GLY 114 CO 0.27 0.74 1.17 -1.72 0.00 0.00 0.00 173.10 173.55 2uww n TYR 115 N -4.06 0.90 -0.14 1.90 4.01 -1.26 -4.61 117.16 113.90 2uww n TYR 115 Ca 0.09 -0.33 0.03 0.00 -0.16 0.00 0.00 57.90 57.53 2uww n TYR 115 Cb 0.53 -0.22 0.33 0.00 -0.31 0.00 0.00 39.34 39.67 2uww n TYR 115 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2uww h HIS 116 N 2.04 0.76 0.64 -0.72 3.86 -1.99 -2.68 115.15 117.07 2uww h HIS 116 Ca 0.00 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 2uww h HIS 116 Cb 1.04 -0.26 0.01 0.00 1.06 0.00 0.00 27.41 29.26 2uww h HIS 116 CO 0.47 0.46 -0.31 0.82 0.86 0.00 0.00 177.93 180.22 2uww h ILE 117 N 0.80 0.17 -0.22 2.45 2.04 -1.99 -0.24 117.51 120.51 2uww h ILE 117 Ca 0.25 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 2uww h ILE 117 Cb 0.02 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 2uww h ILE 117 CO -0.07 0.02 0.02 1.55 0.00 0.00 0.00 178.15 179.68 2uww h PRO 118 N -1.13 0.32 -0.43 2.37 0.13 -1.88 0.29 132.00 131.67 2uww h PRO 118 Ca -0.09 -0.05 0.05 0.00 -0.87 0.00 0.00 66.00 65.04 2uww h PRO 118 Cb 0.70 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.73 2uww h PRO 118 CO 0.15 0.34 0.18 0.35 -0.23 0.00 0.00 178.00 178.78 2uww h PHE 119 N 0.32 0.32 -0.48 1.56 3.57 -1.39 -0.77 116.94 120.06 2uww h PHE 119 Ca 0.08 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 2uww h PHE 119 Cb 0.19 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 2uww h PHE 119 CO 0.00 0.14 0.15 0.00 -2.23 0.00 0.00 178.31 176.37 2uww h ALA 120 N 1.26 0.64 -0.61 2.41 0.00 -0.22 -2.83 119.26 119.91 2uww h ALA 120 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2uww h ALA 120 Cb 0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2uww h ALA 120 CO -0.18 0.29 0.38 0.35 0.00 0.00 0.00 179.25 180.10 2uww h PHE 121 N 0.65 0.79 -0.15 0.00 3.57 -0.72 -2.14 116.94 118.94 2uww h PHE 121 Ca 0.16 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.71 2uww h PHE 121 Cb 0.27 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 2uww h PHE 121 CO 0.01 0.52 0.12 0.00 -2.23 0.00 0.00 178.31 176.73 2uww h ALA 122 N 1.58 1.96 -0.58 2.41 0.00 -0.88 0.31 119.26 124.07 2uww h ALA 122 Ca 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2uww h ALA 122 Cb -0.06 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2uww h ALA 122 CO -0.04 -0.20 0.27 0.74 0.00 0.00 0.00 179.25 180.02 2uww h PHE 123 N 0.00 0.85 -0.57 0.00 -1.00 -1.42 -0.64 116.94 114.15 2uww h PHE 123 Ca 0.07 -0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 2uww h PHE 123 Cb 0.31 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.58 2uww h PHE 123 CO 0.00 0.66 0.26 0.00 -1.61 0.00 0.00 178.31 177.63 2uww h ALA 124 N 1.11 0.74 -0.91 2.45 0.00 -1.02 -1.66 119.26 119.97 2uww h ALA 124 Ca 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2uww h ALA 124 Cb 0.14 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2uww h ALA 124 CO -0.02 0.32 0.51 0.82 0.00 0.00 0.00 179.25 180.88 2uww h ILE 125 N 0.78 1.26 -0.17 0.00 2.04 -1.17 -1.18 117.51 119.07 2uww h ILE 125 Ca 0.20 -0.62 -0.10 0.00 1.00 0.00 0.00 64.86 65.34 2uww h ILE 125 Cb 0.14 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 2uww h ILE 125 CO -0.02 0.28 -0.32 -0.07 0.00 0.00 0.00 178.15 178.02 2uww h LEU 126 N 1.27 0.34 -0.31 1.44 4.07 -0.79 0.24 115.31 121.57 2uww h LEU 126 Ca 0.32 -0.12 -0.08 0.00 0.08 0.00 0.00 57.88 58.08 2uww h LEU 126 Cb 0.00 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 2uww h LEU 126 CO -0.05 0.65 -0.11 0.00 -1.08 0.00 0.00 178.44 177.85 2uww h ALA 127 N 1.37 0.44 -0.43 1.53 0.00 -0.83 -0.29 119.26 121.05 2uww h ALA 127 Ca 0.04 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.68 2uww h ALA 127 Cb 0.72 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2uww h ALA 127 CO 0.05 0.30 0.21 -0.92 0.00 0.00 0.00 179.25 178.89 2uww h TYR 128 N 0.40 0.38 -0.14 0.00 3.20 -0.88 -2.73 116.97 117.19 2uww h TYR 128 Ca 0.07 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 2uww h TYR 128 Cb 0.62 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 2uww h TYR 128 CO 0.06 0.18 -0.33 -0.07 -1.64 0.00 0.00 178.16 176.36 2uww h LEU 129 N 0.41 0.28 -0.38 2.82 4.07 -0.82 -1.48 115.31 120.21 2uww h LEU 129 Ca 0.19 -0.10 0.07 0.00 0.08 0.00 0.00 57.88 58.12 2uww h LEU 129 Cb 0.12 -0.08 -0.06 0.00 1.08 0.00 0.00 40.66 41.72 2uww h LEU 129 CO -0.15 0.61 0.01 0.74 -1.08 0.00 0.00 178.44 178.57 2uww h THR 130 N 0.24 0.72 -0.07 0.22 2.02 -0.85 0.33 112.91 115.53 2uww h THR 130 Ca 0.03 -0.04 -0.18 0.00 0.77 0.00 0.00 66.41 66.99 2uww h THR 130 Cb 0.71 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2uww h THR 130 CO 0.05 0.02 -0.74 -0.07 0.37 0.00 0.00 175.52 175.15 2uww h LEU 131 N 0.11 0.45 0.00 2.58 3.38 -1.11 0.49 115.31 121.21 2uww h LEU 131 Ca 0.19 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2uww h LEU 131 Cb 0.26 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2uww h LEU 131 CO -0.31 1.04 -1.36 1.33 0.09 0.00 0.00 178.44 179.24 2uww n VAL 132 N -3.82 0.00 0.10 1.22 0.24 -0.61 -4.33 118.33 111.12 2uww n VAL 132 Ca -0.04 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2uww n VAL 132 Cb 0.71 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 33.62 2uww n VAL 132 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 2uww n LEU 133 N -1.79 0.35 -0.01 1.34 7.94 0.44 -4.76 117.00 120.51 2uww n LEU 133 Ca 0.00 0.33 -0.13 0.00 -1.11 0.00 0.00 56.01 55.11 2uww n LEU 133 Cb 0.39 0.09 -0.09 0.00 0.53 0.00 0.00 43.42 44.34 2uww n LEU 133 CO 0.38 -0.77 0.68 -0.26 -1.11 0.00 0.00 177.39 176.32 2uww h PHE 134 N 0.00 0.07 0.18 1.96 0.04 -0.52 -1.66 116.94 117.01 2uww h PHE 134 Ca 0.00 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 2uww h PHE 134 Cb 0.00 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.14 2uww h PHE 134 CO 0.00 0.43 -0.09 -0.09 -0.60 0.00 0.00 178.31 177.97 2uww h ARG 135 N -0.32 -0.24 -0.90 1.51 2.43 -1.10 -1.41 114.38 114.35 2uww h ARG 135 Ca 0.01 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.30 2uww h ARG 135 Cb 0.41 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.95 2uww h ARG 135 CO 0.00 0.01 0.58 -1.35 -1.51 0.00 0.00 179.97 177.70 2uww h PRO 136 N -0.46 0.83 -0.29 0.20 0.11 -1.77 0.28 132.00 130.90 2uww h PRO 136 Ca -0.03 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 2uww h PRO 136 Cb 0.35 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 2uww h PRO 136 CO 0.04 0.55 0.04 0.28 -0.21 0.00 0.00 178.00 178.70 2uww h VAL 137 N 0.86 1.24 -0.14 3.15 2.07 -1.12 0.19 116.25 122.49 2uww h VAL 137 Ca 0.43 -0.82 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 2uww h VAL 137 Cb 0.48 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2uww h VAL 137 CO -0.19 0.27 -0.21 0.24 0.02 0.00 0.00 177.57 177.69 2uww h MET 138 N 0.29 0.24 0.00 1.57 2.86 -0.54 -2.80 114.93 116.55 2uww h MET 138 Ca 0.09 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2uww h MET 138 Cb 0.35 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2uww h MET 138 CO 0.01 0.46 -0.55 0.52 1.06 0.00 0.00 176.91 178.40 2uww h MET 139 N 0.23 0.00 0.00 1.72 2.86 -0.77 -3.49 114.93 115.47 2uww h MET 139 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2uww h MET 139 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2uww h MET 139 CO 0.03 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.41 2uww n GLY 140 N 1.26 0.92 3.54 8.32 0.00 0.54 -5.06 105.19 114.71 2uww n GLY 140 Ca 0.03 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 2uww n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uww s ALA 141 N -2.00 -1.59 0.41 4.61 0.00 -0.45 -3.57 121.76 119.17 2uww s ALA 141 Ca 0.00 1.76 0.09 0.00 0.00 0.00 0.00 51.96 53.81 2uww s ALA 141 Cb 0.00 -0.97 0.89 0.00 0.00 0.00 0.00 23.12 23.04 2uww s ALA 141 CO 0.00 -0.31 2.03 -1.49 0.00 0.00 0.00 175.76 175.99 2uww h TRP 142 N 4.97 0.52 0.00 0.00 4.06 -1.68 -2.91 115.95 120.91 2uww h TRP 142 Ca -0.28 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.68 2uww h TRP 142 Cb 1.16 -0.17 0.00 0.00 -1.00 0.00 0.00 29.16 29.15 2uww h TRP 142 CO 0.39 0.30 0.00 0.41 -3.56 0.00 0.00 178.44 175.99 2uww n GLY 143 N -1.48 -0.80 0.00 1.49 0.00 -1.05 -1.00 105.19 102.35 2uww n GLY 143 Ca 0.06 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.37 2uww n GLY 143 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2uww n TYR 144 N -2.12 0.00 -1.56 1.61 4.01 -1.10 -4.85 117.16 113.14 2uww n TYR 144 Ca -0.01 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.43 2uww n TYR 144 Cb 0.03 -0.48 0.08 0.00 -0.31 0.00 0.00 39.34 38.66 2uww n TYR 144 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2uww s ALA 145 N -2.97 2.32 0.35 -0.72 0.00 -0.17 -4.90 121.76 115.68 2uww s ALA 145 Ca 0.13 -0.18 -0.14 0.00 0.00 0.00 0.00 51.96 51.77 2uww s ALA 145 Cb 0.17 -3.11 -0.09 0.00 0.00 0.00 0.00 23.12 20.09 2uww s ALA 145 CO 0.47 -1.65 0.77 -0.59 0.00 0.00 0.00 175.76 174.75 2uww s PHE 146 N -3.15 3.39 0.51 0.00 -0.71 -1.26 -4.84 117.98 111.92 2uww s PHE 146 Ca 0.60 1.21 -0.14 0.00 -1.04 0.00 0.00 56.93 57.57 2uww s PHE 146 Cb -0.14 -2.55 -0.07 0.00 -1.21 0.00 0.00 43.02 39.06 2uww s PHE 146 CO 0.54 0.02 0.94 -1.25 -1.34 0.00 0.00 175.22 174.14 2uww s PRO 147 N -3.23 3.83 -0.98 1.99 0.04 -1.26 -4.70 135.00 130.69 2uww s PRO 147 Ca 0.54 0.79 -0.16 0.00 0.04 0.00 0.00 61.00 62.21 2uww s PRO 147 Cb -0.10 -2.18 0.17 0.00 0.04 0.00 0.00 34.50 32.43 2uww s PRO 147 CO 0.21 -0.28 1.11 0.71 0.04 0.00 0.00 177.00 178.78 2uww s TYR 148 N -2.69 3.45 -0.11 0.56 2.02 0.56 -4.06 117.35 117.08 2uww s TYR 148 Ca 0.56 -1.80 -0.27 0.00 -0.37 0.00 0.00 57.07 55.19 2uww s TYR 148 Cb -0.10 -4.15 0.06 0.00 -0.40 0.00 0.00 41.96 37.37 2uww s TYR 148 CO 0.36 -1.31 0.63 0.20 -1.57 0.00 0.00 175.55 173.87 2uww s GLY 149 N 2.92 -0.50 0.06 0.71 0.00 -1.26 -1.00 107.32 108.25 2uww s GLY 149 Ca 0.31 1.38 -0.24 0.00 0.00 0.00 0.00 44.72 46.18 2uww s GLY 149 CO -0.07 1.07 1.62 -2.22 0.00 0.00 0.00 173.10 173.50 2uww h ILE 150 N 3.45 1.11 0.07 0.90 2.04 -1.81 -1.13 117.51 122.14 2uww h ILE 150 Ca -0.28 -0.31 -0.33 0.00 1.00 0.00 0.00 64.86 64.94 2uww h ILE 150 Cb 1.15 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 2uww h ILE 150 CO 0.29 0.08 -1.86 0.79 0.00 0.00 0.00 178.15 177.45 2uww n TRP 151 N -5.02 1.16 0.19 1.37 7.02 -1.26 -4.17 117.44 116.73 2uww n TRP 151 Ca -0.07 0.31 0.05 0.00 -1.02 0.00 0.00 57.50 56.77 2uww n TRP 151 Cb 0.09 -1.18 0.47 0.00 -2.42 0.00 0.00 31.31 28.27 2uww n TRP 151 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 2uww h THR 152 N 0.04 1.14 -0.13 -0.99 1.35 -1.90 -1.63 112.91 110.79 2uww h THR 152 Ca -0.36 -0.64 -0.07 0.00 -0.55 0.00 0.00 66.41 64.80 2uww h THR 152 Cb 2.03 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 69.70 2uww h THR 152 CO 0.09 0.19 -0.22 1.12 -0.25 0.00 0.00 175.52 176.45 2uww h HIS 153 N 0.08 0.23 -0.26 4.73 2.07 -1.34 -1.48 115.15 119.18 2uww h HIS 153 Ca 0.02 -0.04 -0.14 0.00 -2.85 0.00 0.00 60.37 57.36 2uww h HIS 153 Cb 0.32 -0.06 -0.01 0.00 2.57 0.00 0.00 27.41 30.23 2uww h HIS 153 CO 0.00 0.42 -0.43 -0.07 -3.07 0.00 0.00 177.93 174.79 2uww h LEU 154 N 0.20 0.70 -0.83 6.12 4.07 -1.49 -1.78 115.31 122.30 2uww h LEU 154 Ca 0.03 -0.32 0.02 0.00 0.08 0.00 0.00 57.88 57.69 2uww h LEU 154 Cb 0.50 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 42.00 2uww h LEU 154 CO 0.03 1.03 0.54 0.44 -1.08 0.00 0.00 178.44 179.41 2uww h ASP 155 N 0.53 0.92 -0.75 -0.43 3.32 -0.89 -0.86 116.42 118.26 2uww h ASP 155 Ca 0.04 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 2uww h ASP 155 Cb 0.96 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.25 2uww h ASP 155 CO 0.09 0.66 0.40 -0.25 -1.72 0.00 0.00 179.24 178.42 2uww h TRP 156 N 1.09 1.04 -0.41 4.55 7.01 -1.02 0.53 115.95 128.75 2uww h TRP 156 Ca 0.31 -0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.25 2uww h TRP 156 Cb -0.08 -0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 26.64 2uww h TRP 156 CO -0.02 0.73 0.10 0.28 -2.79 0.00 0.00 178.44 176.75 2uww h VAL 157 N 1.04 1.23 0.09 2.65 2.07 -0.71 0.02 116.25 122.64 2uww h VAL 157 Ca 0.26 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 2uww h VAL 157 Cb 0.05 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2uww h VAL 157 CO -0.04 0.27 -0.04 -1.28 0.02 0.00 0.00 177.57 176.50 2uww h SER 158 N 0.51 -0.10 -0.77 0.57 0.87 -0.98 -0.99 113.55 112.67 2uww h SER 158 Ca 0.13 -0.25 0.02 0.00 -1.23 0.00 0.00 61.79 60.45 2uww h SER 158 Cb 0.30 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.25 2uww h SER 158 CO 0.00 0.20 0.50 0.78 -0.53 0.00 0.00 176.83 177.79 2uww h ASN 159 N -0.42 0.86 -0.11 6.23 -0.26 -0.86 -1.44 115.58 119.58 2uww h ASN 159 Ca -0.01 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.70 2uww h ASN 159 Cb 0.35 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.40 2uww h ASN 159 CO 0.02 0.61 0.01 0.74 -1.06 0.00 0.00 177.43 177.74 2uww h THR 160 N 1.01 1.24 -0.06 2.81 2.02 -0.97 -2.40 112.91 116.57 2uww h THR 160 Ca 0.29 -0.77 0.01 0.00 0.77 0.00 0.00 66.41 66.72 2uww h THR 160 Cb -0.06 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 2uww h THR 160 CO -0.08 0.22 -0.03 1.23 0.37 0.00 0.00 175.52 177.23 2uww h GLY 161 N -0.08 0.02 2.00 2.16 0.00 -0.93 -2.73 103.07 103.51 2uww h GLY 161 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2uww h GLY 161 CO 0.00 -0.04 0.00 -1.72 0.00 0.00 0.00 176.54 174.78 2uww n TYR 162 N -5.14 0.29 0.21 5.60 4.01 -0.56 -1.54 117.16 120.03 2uww n TYR 162 Ca -0.05 0.11 0.17 0.00 -0.16 0.00 0.00 57.90 57.96 2uww n TYR 162 Cb 0.08 -0.67 0.83 0.00 -0.31 0.00 0.00 39.34 39.26 2uww n TYR 162 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2uww h THR 163 N 0.00 0.50 -0.12 -0.72 2.02 -1.10 -2.60 112.91 110.90 2uww h THR 163 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 2uww h THR 163 Cb 0.38 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2uww h THR 163 CO 0.00 0.00 -0.12 -1.22 0.37 0.00 0.00 175.52 174.55 2uww n TYR 164 N -3.85 0.39 -3.38 3.16 4.01 -0.59 -4.85 117.16 112.06 2uww n TYR 164 Ca 0.01 -1.18 0.00 0.00 -0.16 0.00 0.00 57.90 56.57 2uww n TYR 164 Cb 0.30 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 2uww n TYR 164 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2uww n GLY 165 N -1.12 -0.16 3.60 2.72 0.00 -0.98 -1.32 105.19 107.93 2uww n GLY 165 Ca 0.21 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 2uww n GLY 165 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2uww s ASN 166 N -4.00 6.15 0.25 1.61 3.84 -1.26 -3.86 114.94 117.67 2uww s ASN 166 Ca 0.00 1.01 0.19 0.00 0.21 0.00 0.00 52.86 54.26 2uww s ASN 166 Cb 0.00 -2.53 0.95 0.00 -0.55 0.00 0.00 41.25 39.11 2uww s ASN 166 CO 0.00 -1.55 1.57 0.33 -2.79 0.00 0.00 177.10 174.66 2uww n PHE 167 N 9.42 0.62 -0.08 0.43 -0.00 -1.26 -2.08 117.46 124.51 2uww n PHE 167 Ca 0.19 0.30 0.26 0.00 -0.00 0.00 0.00 57.45 58.20 2uww n PHE 167 Cb 0.47 -0.98 0.71 0.00 -0.00 0.00 0.00 39.48 39.69 2uww n PHE 167 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2uww h HIS 168 N 0.00 0.00 -0.00 -5.13 3.86 -1.95 -1.88 115.15 110.05 2uww h HIS 168 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2uww h HIS 168 Cb 0.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.56 2uww h HIS 168 CO 0.00 0.00 -0.08 0.66 0.86 0.00 0.00 177.93 179.37 2uww n TYR 169 N -3.92 0.00 -1.77 2.45 4.02 -0.88 -4.55 117.16 112.51 2uww n TYR 169 Ca 0.15 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.61 2uww n TYR 169 Cb 0.89 -0.29 -0.03 0.00 -0.02 0.00 0.00 39.34 39.89 2uww n TYR 169 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 2uww s ASN 170 N -2.66 6.08 0.34 7.72 3.04 -0.71 -4.64 114.94 124.11 2uww s ASN 170 Ca 0.24 2.12 0.13 0.00 0.04 0.00 0.00 52.86 55.40 2uww s ASN 170 Cb 0.20 -2.52 0.60 0.00 -1.54 0.00 0.00 41.25 37.98 2uww s ASN 170 CO 0.50 -1.43 1.74 1.55 -3.04 0.00 0.00 177.10 176.42 2uww h PRO 171 N 12.20 0.00 -0.02 0.43 0.13 -1.90 -1.51 132.00 141.34 2uww h PRO 171 Ca -0.42 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.61 2uww h PRO 171 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2uww h PRO 171 CO 0.96 0.46 -0.43 0.00 -0.23 0.00 0.00 178.00 178.76 2uww h ALA 172 N 1.54 1.26 -0.23 -0.56 0.00 -1.91 -2.45 119.26 116.91 2uww h ALA 172 Ca -0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.34 2uww h ALA 172 Cb 0.85 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2uww h ALA 172 CO 0.06 0.55 -0.53 1.25 0.00 0.00 0.00 179.25 180.58 2uww h HIS 173 N 0.03 0.84 -0.55 0.00 6.17 -1.66 -0.82 115.15 119.15 2uww h HIS 173 Ca -0.00 -0.29 -0.02 0.00 0.71 0.00 0.00 60.37 60.77 2uww h HIS 173 Cb 0.78 -0.16 -0.03 0.00 2.52 0.00 0.00 27.41 30.52 2uww h HIS 173 CO 0.00 1.05 0.28 0.52 0.71 0.00 0.00 177.93 180.50 2uww h MET 174 N 0.52 0.79 -0.12 5.26 2.86 -1.07 -0.17 114.93 123.00 2uww h MET 174 Ca 0.02 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 2uww h MET 174 Cb 1.09 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.60 2uww h MET 174 CO 0.11 0.63 -0.00 0.82 1.06 0.00 0.00 176.91 179.53 2uww h ILE 175 N 0.74 1.25 -0.21 -1.22 2.04 -1.27 -1.72 117.51 117.12 2uww h ILE 175 Ca 0.19 -0.82 0.06 0.00 1.00 0.00 0.00 64.86 65.29 2uww h ILE 175 Cb 0.09 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 2uww h ILE 175 CO -0.03 0.24 -0.20 0.00 0.00 0.00 0.00 178.15 178.16 2uww h ALA 176 N 0.75 -0.07 -0.73 1.87 0.00 -1.01 -1.34 119.26 118.71 2uww h ALA 176 Ca 0.03 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.08 2uww h ALA 176 Cb 0.36 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 2uww h ALA 176 CO 0.01 -0.63 0.43 0.82 0.00 0.00 0.00 179.25 179.88 2uww h ILE 177 N -0.21 0.99 -0.89 0.00 2.04 -0.99 -0.96 117.51 117.50 2uww h ILE 177 Ca 0.13 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.73 2uww h ILE 177 Cb 0.40 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 2uww h ILE 177 CO -0.33 0.14 0.59 0.28 0.00 0.00 0.00 178.15 178.83 2uww h SER 178 N 0.78 1.02 -0.32 1.72 0.02 -0.41 0.11 113.55 116.47 2uww h SER 178 Ca 0.33 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.16 2uww h SER 178 Cb 0.19 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2uww h SER 178 CO -0.18 0.74 -0.17 -0.26 -1.14 0.00 0.00 176.83 175.81 2uww h PHE 179 N 1.20 0.78 -0.51 3.45 0.04 -0.57 0.21 116.94 121.55 2uww h PHE 179 Ca 0.32 -0.20 0.05 0.00 2.80 0.00 0.00 57.97 60.94 2uww h PHE 179 Cb -0.14 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 37.78 2uww h PHE 179 CO 0.00 0.90 0.24 0.74 -0.60 0.00 0.00 178.31 179.60 2uww h PHE 180 N 0.43 0.44 -0.24 -0.55 0.04 -0.85 0.17 116.94 116.39 2uww h PHE 180 Ca 0.07 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.76 2uww h PHE 180 Cb 0.71 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.73 2uww h PHE 180 CO 0.06 0.20 -0.25 0.74 -0.60 0.00 0.00 178.31 178.46 2uww h PHE 181 N 0.47 0.71 -0.56 -0.55 0.04 -0.89 -2.51 116.94 113.66 2uww h PHE 181 Ca 0.23 -0.22 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 2uww h PHE 181 Cb 0.16 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 2uww h PHE 181 CO -0.11 0.93 0.10 1.15 -0.60 0.00 0.00 178.31 179.77 2uww h THR 182 N 0.30 1.24 -0.40 -1.55 2.02 -0.81 -1.76 112.91 111.94 2uww h THR 182 Ca 0.04 -0.91 0.01 0.00 0.77 0.00 0.00 66.41 66.32 2uww h THR 182 Cb 0.81 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 2uww h THR 182 CO 0.06 0.33 0.25 -1.13 0.37 0.00 0.00 175.52 175.41 2uww h ASN 183 N 0.84 0.43 -0.49 4.18 -0.73 -0.58 0.10 115.58 119.33 2uww h ASN 183 Ca 0.18 -0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.24 2uww h ASN 183 Cb 0.36 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.83 2uww h ASN 183 CO 0.01 0.31 -0.07 0.00 -0.37 0.00 0.00 177.43 177.30 2uww h ALA 184 N 1.16 0.88 0.07 1.57 0.00 -1.22 0.74 119.26 122.46 2uww h ALA 184 Ca 0.15 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2uww h ALA 184 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2uww h ALA 184 CO -0.05 0.65 -0.08 1.25 0.00 0.00 0.00 179.25 181.02 2uww h LEU 185 N 0.86 -0.21 -1.10 0.00 5.85 -1.10 -1.00 115.31 118.61 2uww h LEU 185 Ca 0.14 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 2uww h LEU 185 Cb 0.60 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2uww h LEU 185 CO 0.04 -0.12 0.07 0.00 -0.34 0.00 0.00 178.44 178.08 2uww h ALA 186 N 0.75 1.27 -0.17 1.25 0.00 -0.78 -1.82 119.26 119.77 2uww h ALA 186 Ca 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2uww h ALA 186 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2uww h ALA 186 CO -0.03 0.50 0.06 1.25 0.00 0.00 0.00 179.25 181.02 2uww h LEU 187 N 0.68 0.24 -0.25 0.00 5.85 -0.69 0.11 115.31 121.24 2uww h LEU 187 Ca 0.15 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.72 2uww h LEU 187 Cb 0.32 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2uww h LEU 187 CO 0.00 0.37 -0.03 0.00 -0.34 0.00 0.00 178.44 178.44 2uww h ALA 188 N 0.88 0.19 -0.57 1.25 0.00 -1.02 -0.91 119.26 119.08 2uww h ALA 188 Ca 0.05 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2uww h ALA 188 Cb 0.21 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2uww h ALA 188 CO -0.00 -0.45 0.09 -0.07 0.00 0.00 0.00 179.25 178.82 2uww h LEU 189 N 0.04 0.92 0.09 0.00 3.38 -1.24 0.36 115.31 118.86 2uww h LEU 189 Ca 0.12 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2uww h LEU 189 Cb 0.17 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2uww h LEU 189 CO -0.23 0.95 -0.04 -0.74 0.09 0.00 0.00 178.44 178.47 2uww h HIS 190 N 0.85 -0.11 -0.16 1.13 2.76 -0.67 0.11 115.15 119.07 2uww h HIS 190 Ca 0.17 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.37 2uww h HIS 190 Cb 0.42 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.39 2uww h HIS 190 CO 0.03 0.05 -0.03 0.78 -1.30 0.00 0.00 177.93 177.45 2uww h GLY 191 N -0.25 0.12 1.01 5.26 0.00 -1.13 -2.32 103.07 105.76 2uww h GLY 191 Ca -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 2uww h GLY 191 CO 0.02 -0.05 0.36 0.00 0.00 0.00 0.00 176.54 176.87 2uww h ALA 192 N 1.15 0.89 0.02 3.60 0.00 -0.86 -2.35 119.26 121.72 2uww h ALA 192 Ca 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2uww h ALA 192 Cb 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2uww h ALA 192 CO -0.16 0.43 -0.01 1.25 0.00 0.00 0.00 179.25 180.76 2uww h LEU 193 N 0.96 -0.03 -0.28 0.00 5.85 -0.47 0.17 115.31 121.50 2uww h LEU 193 Ca 0.24 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.65 2uww h LEU 193 Cb 0.07 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 2uww h LEU 193 CO -0.04 0.35 0.00 0.58 -0.34 0.00 0.00 178.44 179.00 2uww h VAL 194 N -0.41 0.80 -0.55 1.05 2.07 -1.48 -2.11 116.25 115.62 2uww h VAL 194 Ca -0.00 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 2uww h VAL 194 Cb 0.39 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2uww h VAL 194 CO 0.01 0.02 0.09 -0.07 0.02 0.00 0.00 177.57 177.63 2uww h LEU 195 N 0.09 0.83 -1.50 2.57 3.38 -1.33 -0.41 115.31 118.94 2uww h LEU 195 Ca 0.13 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2uww h LEU 195 Cb 0.18 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2uww h LEU 195 CO -0.22 0.84 -0.25 0.77 0.09 0.00 0.00 178.44 179.66 2uww h SER 196 N 0.83 0.00 0.15 -0.43 4.64 -0.30 0.53 113.55 118.98 2uww h SER 196 Ca 0.17 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.21 2uww h SER 196 Cb 0.37 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.49 2uww h SER 196 CO 0.01 0.25 -1.20 0.00 -0.87 0.00 0.00 176.83 175.02 2uww h ALA 197 N 1.75 -0.06 0.00 5.18 0.00 -0.92 -3.30 119.26 121.91 2uww h ALA 197 Ca -0.00 -0.77 -0.07 0.00 0.00 0.00 0.00 54.91 54.06 2uww h ALA 197 Cb 0.46 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2uww h ALA 197 CO 0.03 0.61 -0.35 0.00 0.00 0.00 0.00 179.25 179.55 2uww h ALA 198 N 0.22 0.80 -2.40 0.00 0.00 -0.90 0.01 119.26 116.98 2uww h ALA 198 Ca -0.19 -0.32 -0.59 0.00 0.00 0.00 0.00 54.91 53.80 2uww h ALA 198 Cb 1.90 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 19.23 2uww h ALA 198 CO 0.23 0.44 -0.79 0.09 0.00 0.00 0.00 179.25 179.22 2uww n ASN 199 N -3.23 1.87 -3.13 0.00 3.02 0.16 -4.82 115.26 109.13 2uww n ASN 199 Ca 0.02 -2.99 -0.18 0.00 -0.03 0.00 0.00 54.58 51.40 2uww n ASN 199 Cb 0.64 -0.66 0.13 0.00 -0.61 0.00 0.00 39.78 39.28 2uww n ASN 199 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2uww n PRO 200 N 1.66 -1.22 -1.44 3.52 -0.04 -1.24 -4.68 135.00 131.55 2uww n PRO 200 Ca 0.25 -1.17 -0.36 0.00 -0.04 0.00 0.00 63.50 62.18 2uww n PRO 200 Cb 0.44 -0.86 0.07 0.00 -0.04 0.00 0.00 33.50 33.11 2uww n PRO 200 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2uww n GLU 201 N -2.92 0.61 -1.64 0.54 1.02 -1.26 -4.81 120.64 112.18 2uww n GLU 201 Ca 0.10 0.25 -0.51 0.00 -0.02 0.00 0.00 57.16 56.98 2uww n GLU 201 Cb 0.34 -2.13 -0.05 0.00 -0.02 0.00 0.00 31.44 29.58 2uww n GLU 201 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2uww n LYS 202 N -1.37 1.55 -0.03 3.49 4.81 -1.26 -1.17 118.16 124.18 2uww n LYS 202 Ca 0.13 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 2uww n LYS 202 Cb 0.49 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.27 2uww n LYS 202 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2uww n GLY 203 N 3.20 1.96 3.90 3.14 0.00 -1.26 -5.03 105.19 111.10 2uww n GLY 203 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 2uww n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uww s LYS 204 N -0.33 3.60 0.48 1.61 1.02 -0.32 -5.06 119.74 120.75 2uww s LYS 204 Ca 0.00 0.22 -0.21 0.00 0.02 0.00 0.00 55.97 56.00 2uww s LYS 204 Cb 0.00 -2.42 -0.08 0.00 -0.52 0.00 0.00 37.83 34.81 2uww s LYS 204 CO 0.00 -0.11 1.07 -1.21 -0.92 0.00 0.00 175.35 174.18 2uww s GLU 205 N -4.40 3.77 0.20 1.68 2.02 -1.26 -4.80 118.70 115.91 2uww s GLU 205 Ca 0.48 1.49 -0.31 0.00 0.02 0.00 0.00 54.97 56.64 2uww s GLU 205 Cb -0.10 -2.19 -0.16 0.00 0.10 0.00 0.00 34.13 31.78 2uww s GLU 205 CO 0.40 -0.48 1.00 -1.33 0.02 0.00 0.00 175.26 174.87 2uww n MET 206 N -0.82 0.94 -1.61 1.61 2.81 -1.26 -4.79 117.12 114.00 2uww n MET 206 Ca 0.09 0.33 -0.29 0.00 -1.81 0.00 0.00 57.70 56.02 2uww n MET 206 Cb 0.51 -1.71 0.16 0.00 -0.71 0.00 0.00 33.22 31.48 2uww n MET 206 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2uww s ARG 207 N -0.81 0.66 0.44 0.03 3.00 -0.01 -5.04 118.95 117.22 2uww s ARG 207 Ca 0.68 -0.00 0.06 0.00 0.00 0.00 0.00 55.73 56.47 2uww s ARG 207 Cb -0.85 -1.81 -0.04 0.00 0.00 0.00 0.00 34.95 32.25 2uww s ARG 207 CO 0.55 -2.47 0.14 0.95 0.00 0.00 0.00 175.30 174.48 2uww s THR 208 N -3.44 1.99 0.52 0.02 -4.23 -1.26 -4.76 115.64 104.47 2uww s THR 208 Ca 0.68 -1.79 0.16 0.00 -1.18 0.00 0.00 61.69 59.57 2uww s THR 208 Cb -0.10 -2.78 0.27 0.00 1.34 0.00 0.00 72.50 71.23 2uww s THR 208 CO 0.53 0.00 2.14 1.55 -0.54 0.00 0.00 174.62 178.31 2uww h PRO 209 N 1.42 0.00 -0.65 3.99 0.13 -1.99 -1.84 132.00 133.06 2uww h PRO 209 Ca -0.43 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.80 2uww h PRO 209 Cb 1.26 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.32 2uww h PRO 209 CO 0.72 0.01 0.29 -0.44 -0.23 0.00 0.00 178.00 178.35 2uww h ASP 210 N 0.00 0.34 -0.05 1.44 5.19 -1.99 0.32 116.42 121.66 2uww h ASP 210 Ca -0.00 0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 56.42 2uww h ASP 210 Cb 0.02 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 2uww h ASP 210 CO 0.00 0.19 -0.13 0.45 -3.12 0.00 0.00 179.24 176.63 2uww h HIS 211 N 0.50 0.39 -0.11 4.55 3.86 -1.73 0.16 115.15 122.76 2uww h HIS 211 Ca 0.33 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.45 2uww h HIS 211 Cb 0.37 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.73 2uww h HIS 211 CO -0.14 0.50 -0.04 0.93 0.86 0.00 0.00 177.93 180.04 2uww h GLU 212 N 0.35 0.22 -0.51 2.45 5.08 -0.93 0.70 114.58 121.93 2uww h GLU 212 Ca 0.07 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2uww h GLU 212 Cb 0.45 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 2uww h GLU 212 CO 0.03 0.54 0.22 -0.44 -1.00 0.00 0.00 179.01 178.36 2uww h ASP 213 N -0.12 0.28 -0.19 1.42 3.32 -0.84 -2.66 116.42 117.62 2uww h ASP 213 Ca 0.03 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2uww h ASP 213 Cb 0.47 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 2uww h ASP 213 CO 0.01 0.19 0.13 0.74 -1.72 0.00 0.00 179.24 178.59 2uww h THR 214 N 0.43 1.05 -0.57 0.35 2.02 -0.84 -1.15 112.91 114.20 2uww h THR 214 Ca 0.24 -0.11 0.07 0.00 0.77 0.00 0.00 66.41 67.39 2uww h THR 214 Cb 0.21 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.34 2uww h THR 214 CO -0.21 0.05 0.25 0.15 0.37 0.00 0.00 175.52 176.13 2uww h PHE 215 N 0.26 0.45 -0.06 3.16 3.57 -0.68 0.89 116.94 124.52 2uww h PHE 215 Ca 0.07 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.39 2uww h PHE 215 Cb -0.02 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.61 2uww h PHE 215 CO -0.06 0.17 -0.83 0.74 -2.23 0.00 0.00 178.31 176.09 2uww h PHE 216 N 0.46 0.67 -0.30 0.41 -1.00 -1.20 -0.87 116.94 115.11 2uww h PHE 216 Ca 0.27 -0.32 -0.01 0.00 2.81 0.00 0.00 57.97 60.72 2uww h PHE 216 Cb 0.27 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.73 2uww h PHE 216 CO -0.14 1.12 0.14 0.00 -1.61 0.00 0.00 178.31 177.82 2uww h ARG 217 N 0.30 0.44 -0.72 1.51 3.08 -1.04 0.53 114.38 118.48 2uww h ARG 217 Ca -0.06 -0.07 0.10 0.00 0.07 0.00 0.00 59.98 60.02 2uww h ARG 217 Cb 1.44 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 31.34 2uww h ARG 217 CO 0.15 0.43 0.36 -0.44 -1.07 0.00 0.00 179.97 179.39 2uww h ASP 218 N 0.35 0.46 0.09 7.04 3.32 -0.72 0.17 116.42 127.13 2uww h ASP 218 Ca 0.10 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 2uww h ASP 218 Cb 0.14 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2uww h ASP 218 CO -0.01 0.26 -0.04 0.25 -1.72 0.00 0.00 179.24 177.97 2uww h LEU 219 N 0.60 -0.10 -0.62 1.55 5.85 -0.73 -3.40 115.31 118.46 2uww h LEU 219 Ca 0.36 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2uww h LEU 219 Cb 0.39 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2uww h LEU 219 CO -0.28 0.51 0.00 1.33 -0.34 0.00 0.00 178.44 179.66 2uww n VAL 220 N -4.85 0.00 -0.67 1.05 0.24 0.14 -5.01 118.33 109.23 2uww n VAL 220 Ca -0.08 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 2uww n VAL 220 Cb 0.29 1.24 0.00 0.00 -1.47 0.00 0.00 33.84 33.90 2uww n VAL 220 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2uww n GLY 221 N 0.10 0.68 3.45 7.63 0.00 0.60 -5.00 105.19 112.65 2uww n GLY 221 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2uww n GLY 221 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2uww s TYR 222 N -2.08 -0.55 -0.05 1.61 5.04 -1.24 -4.88 117.35 115.20 2uww s TYR 222 Ca 0.00 1.06 0.01 0.00 -2.44 0.00 0.00 57.07 55.71 2uww s TYR 222 Cb 0.00 0.29 0.02 0.00 0.35 0.00 0.00 41.96 42.62 2uww s TYR 222 CO 0.00 -0.49 -0.06 0.45 -1.34 0.00 0.00 175.55 174.12 2uww s SER 223 N -0.83 1.12 0.46 4.32 0.15 -1.26 -3.56 113.70 114.09 2uww s SER 223 Ca -0.09 -0.16 0.26 0.00 0.70 0.00 0.00 55.95 56.66 2uww s SER 223 Cb -0.02 -0.52 0.93 0.00 -1.71 0.00 0.00 66.02 64.70 2uww s SER 223 CO 0.06 -0.04 1.82 -0.29 1.20 0.00 0.00 173.24 176.00 2uww h ILE 224 N 6.11 0.39 0.00 6.45 2.10 -1.97 -3.50 117.51 127.10 2uww h ILE 224 Ca -0.36 -1.03 0.00 0.00 1.08 0.00 0.00 64.86 64.55 2uww h ILE 224 Cb 1.16 1.76 0.00 0.00 -1.09 0.00 0.00 36.82 38.65 2uww h ILE 224 CO 0.47 0.17 0.00 0.61 -1.08 0.00 0.00 178.15 178.31 2uww n GLY 225 N 0.26 0.63 0.13 8.18 0.00 -1.26 -4.07 105.19 109.05 2uww n GLY 225 Ca 0.01 -1.84 -0.07 0.00 0.00 0.00 0.00 46.02 44.12 2uww n GLY 225 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2uww h THR 226 N 0.00 1.50 -0.01 2.61 1.35 -1.96 -1.11 112.91 115.28 2uww h THR 226 Ca 0.00 -2.54 -0.01 0.00 -0.55 0.00 0.00 66.41 63.31 2uww h THR 226 Cb 0.00 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2uww h THR 226 CO 0.00 0.74 -0.04 0.25 -0.25 0.00 0.00 175.52 176.21 2uww h LEU 227 N 0.08 0.06 -0.78 3.87 5.85 -2.02 -3.35 115.31 119.03 2uww h LEU 227 Ca -0.03 -0.62 0.17 0.00 0.84 0.00 0.00 57.88 58.25 2uww h LEU 227 Cb 1.41 -0.02 -0.11 0.00 0.37 0.00 0.00 40.66 42.31 2uww h LEU 227 CO 0.12 0.67 0.24 1.23 -0.34 0.00 0.00 178.44 180.36 2uww h GLY 228 N -0.54 1.16 1.57 3.75 0.00 -1.67 -1.90 103.07 105.45 2uww h GLY 228 Ca -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 2uww h GLY 228 CO 0.01 -0.20 0.11 1.19 0.00 0.00 0.00 176.54 177.65 2uww h ILE 229 N 0.32 1.17 0.08 2.60 6.09 -1.34 0.22 117.51 126.65 2uww h ILE 229 Ca 0.45 -0.57 -0.26 0.00 -1.37 0.00 0.00 64.86 63.11 2uww h ILE 229 Cb 0.78 0.76 0.01 0.00 0.47 0.00 0.00 36.82 38.84 2uww h ILE 229 CO -0.51 0.21 -1.13 0.45 -3.07 0.00 0.00 178.15 174.10 2uww h HIS 230 N 0.54 0.68 -0.64 2.19 3.86 -1.52 0.05 115.15 120.31 2uww h HIS 230 Ca 0.13 -0.43 0.01 0.00 -1.16 0.00 0.00 60.37 58.92 2uww h HIS 230 Cb 0.18 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.56 2uww h HIS 230 CO 0.01 1.29 0.42 0.00 0.86 0.00 0.00 177.93 180.50 2uww h ARG 231 N 0.19 0.81 0.07 2.45 3.08 -0.98 -2.27 114.38 117.73 2uww h ARG 231 Ca -0.13 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 2uww h ARG 231 Cb 1.81 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.68 2uww h ARG 231 CO 0.20 0.54 -0.04 1.25 -1.07 0.00 0.00 179.97 180.85 2uww h LEU 232 N 0.84 -0.09 -0.80 3.04 5.85 -0.46 -0.65 115.31 123.04 2uww h LEU 232 Ca 0.24 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2uww h LEU 232 Cb -0.05 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 2uww h LEU 232 CO -0.07 0.19 0.51 1.23 -0.34 0.00 0.00 178.44 179.96 2uww h GLY 233 N -0.37 1.17 0.94 3.75 0.00 -0.96 0.17 103.07 107.76 2uww h GLY 233 Ca -0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 2uww h GLY 233 CO 0.02 0.31 0.12 -2.00 0.00 0.00 0.00 176.54 174.99 2uww h LEU 234 N 0.97 0.31 -0.60 3.11 5.85 -1.30 -2.03 115.31 121.62 2uww h LEU 234 Ca 0.33 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 2uww h LEU 234 Cb 0.04 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2uww h LEU 234 CO -0.12 0.32 0.10 0.25 -0.34 0.00 0.00 178.44 178.65 2uww h LEU 235 N 0.26 0.95 -0.33 2.25 5.85 -0.16 -1.24 115.31 122.89 2uww h LEU 235 Ca 0.08 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 2uww h LEU 235 Cb 0.09 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2uww h LEU 235 CO -0.01 0.96 0.00 -0.07 -0.34 0.00 0.00 178.44 178.98 2uww h LEU 236 N 0.89 0.57 -0.26 2.25 3.38 -0.64 -0.11 115.31 121.40 2uww h LEU 236 Ca 0.18 -0.31 -0.18 0.00 0.09 0.00 0.00 57.88 57.67 2uww h LEU 236 Cb 0.42 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2uww h LEU 236 CO 0.01 0.74 -0.52 0.77 0.09 0.00 0.00 178.44 179.53 2uww h SER 237 N 0.39 0.91 0.05 -0.43 4.64 -1.24 -1.17 113.55 116.70 2uww h SER 237 Ca 0.09 -0.54 -0.12 0.00 -0.47 0.00 0.00 61.79 60.75 2uww h SER 237 Cb 0.45 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2uww h SER 237 CO 0.02 1.28 -0.39 -0.07 -0.87 0.00 0.00 176.83 176.79 2uww h LEU 238 N 0.57 0.47 -0.35 5.97 3.38 -1.22 -2.76 115.31 121.37 2uww h LEU 238 Ca 0.01 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 2uww h LEU 238 Cb 1.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2uww h LEU 238 CO 0.12 0.82 -0.01 0.28 0.09 0.00 0.00 178.44 179.73 2uww h SER 239 N 0.37 0.61 -0.68 -0.43 0.02 -0.94 0.12 113.55 112.62 2uww h SER 239 Ca 0.03 -0.31 0.12 0.00 -0.84 0.00 0.00 61.79 60.79 2uww h SER 239 Cb 0.86 -0.16 -0.09 0.00 0.14 0.00 0.00 62.40 63.15 2uww h SER 239 CO 0.07 0.78 0.25 0.00 -1.14 0.00 0.00 176.83 176.79 2uww h ALA 240 N 0.86 0.91 0.04 3.77 0.00 -1.16 -0.30 119.26 123.36 2uww h ALA 240 Ca 0.10 0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.88 2uww h ALA 240 Cb 0.47 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2uww h ALA 240 CO 0.02 -0.21 -1.01 0.28 0.00 0.00 0.00 179.25 178.33 2uww h VAL 241 N 0.41 1.47 -0.31 0.00 2.07 -1.28 -1.20 116.25 117.40 2uww h VAL 241 Ca 0.36 -2.70 -0.01 0.00 0.82 0.00 0.00 66.70 65.16 2uww h VAL 241 Cb 0.51 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 2uww h VAL 241 CO -0.37 0.79 0.14 0.15 0.02 0.00 0.00 177.57 178.31 2uww h PHE 242 N 0.14 0.46 0.00 1.57 3.57 -0.34 -1.06 116.94 121.28 2uww h PHE 242 Ca -0.08 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.32 2uww h PHE 242 Cb 1.67 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 40.26 2uww h PHE 242 CO 0.05 0.42 -0.34 0.74 -2.23 0.00 0.00 178.31 176.95 2uww h PHE 243 N 0.37 0.00 0.58 0.41 0.04 -1.07 -0.96 116.94 116.31 2uww h PHE 243 Ca 0.11 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.85 2uww h PHE 243 Cb 0.14 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.30 2uww h PHE 243 CO -0.01 0.34 -0.28 0.77 -0.60 0.00 0.00 178.31 178.53 2uww h SER 244 N 0.00 -0.66 -0.51 2.17 0.02 -0.95 0.73 113.55 114.35 2uww h SER 244 Ca -0.00 -0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.01 2uww h SER 244 Cb 0.80 0.17 -0.06 0.00 0.14 0.00 0.00 62.40 63.46 2uww h SER 244 CO 0.04 -0.42 0.18 0.00 -1.14 0.00 0.00 176.83 175.50 2uww h ALA 245 N -0.50 0.62 -0.28 3.77 0.00 -1.06 -2.44 119.26 119.37 2uww h ALA 245 Ca -0.08 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2uww h ALA 245 Cb 0.63 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2uww h ALA 245 CO 0.13 -0.22 0.05 1.25 0.00 0.00 0.00 179.25 180.47 2uww h LEU 246 N 0.35 0.00 -2.21 0.00 6.46 -1.16 0.55 115.31 119.31 2uww h LEU 246 Ca 0.24 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 58.04 2uww h LEU 246 Cb 0.27 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.26 2uww h LEU 246 CO -0.25 0.04 -0.05 0.00 -0.62 0.00 0.00 178.44 177.55 2uww n MET 248 N -3.84 0.72 0.24 0.00 2.81 -0.96 -3.80 117.12 112.28 2uww n MET 248 Ca -0.03 0.24 0.08 0.00 -1.81 0.00 0.00 57.70 56.18 2uww n MET 248 Cb 0.14 -1.69 0.58 0.00 -0.71 0.00 0.00 33.22 31.54 2uww n MET 248 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 2uww h ILE 249 N 0.05 0.96 0.00 2.02 6.09 -0.69 -2.03 117.51 123.90 2uww h ILE 249 Ca -0.42 -0.60 0.00 0.00 -1.37 0.00 0.00 64.86 62.46 2uww h ILE 249 Cb 2.02 1.34 0.00 0.00 0.47 0.00 0.00 36.82 40.65 2uww h ILE 249 CO 0.06 0.16 -0.42 2.30 -3.07 0.00 0.00 178.15 177.19 2uww n ILE 250 N -4.10 0.27 -3.17 2.19 -5.35 -1.06 -4.60 119.36 103.54 2uww n ILE 250 Ca -0.02 -0.18 -0.41 0.00 -0.27 0.00 0.00 62.75 61.87 2uww n ILE 250 Cb 0.24 -0.16 -0.07 0.00 -1.74 0.00 0.00 39.64 37.91 2uww n ILE 250 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2uww s THR 251 N -3.10 4.99 0.00 7.28 2.01 -0.76 -1.07 115.64 124.99 2uww s THR 251 Ca 0.09 0.80 0.00 0.00 0.31 0.00 0.00 61.69 62.89 2uww s THR 251 Cb 0.15 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.72 2uww s THR 251 CO 0.67 -0.08 0.00 0.61 -0.69 0.00 0.00 174.62 175.13 2uww n GLY 252 N 4.46 0.68 0.12 4.40 0.00 0.13 -4.90 105.19 110.09 2uww n GLY 252 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2uww n GLY 252 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2uww n THR 253 N -2.00 0.00 0.04 2.61 -2.24 -1.23 -4.83 114.28 106.63 2uww n THR 253 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 2uww n THR 253 Cb 0.00 -0.47 -0.12 0.00 -2.10 0.00 0.00 70.33 67.64 2uww n THR 253 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 2uww h ILE 254 N 0.00 1.38 -3.34 2.28 3.07 -1.77 -3.44 117.51 115.70 2uww h ILE 254 Ca 0.00 -3.12 -0.58 0.00 1.55 0.00 0.00 64.86 62.71 2uww h ILE 254 Cb 0.00 2.68 -0.34 0.00 -0.27 0.00 0.00 36.82 38.89 2uww h ILE 254 CO 0.00 0.79 -0.84 0.86 -1.05 0.00 0.00 178.15 177.91 2uww s TRP 255 N -2.69 1.88 0.00 0.16 -0.11 -0.23 -5.01 118.94 112.95 2uww s TRP 255 Ca -0.01 -0.79 0.00 0.00 1.22 0.00 0.00 56.10 56.52 2uww s TRP 255 Cb 0.09 -1.34 0.00 0.00 -1.50 0.00 0.00 33.47 30.72 2uww s TRP 255 CO 0.82 -0.38 0.22 1.97 -4.62 0.00 0.00 176.95 174.95 2uww n PHE 256 N 3.91 0.00 -1.56 5.86 1.16 -1.26 0.21 117.46 125.78 2uww n PHE 256 Ca -0.20 -0.01 0.00 0.00 -1.87 0.00 0.00 57.45 55.37 2uww n PHE 256 Cb 0.52 -0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.39 2uww n PHE 256 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 2uww n ASP 257 N -0.01 0.00 -4.67 5.98 8.00 -1.26 -4.91 116.55 119.68 2uww n ASP 257 Ca 0.00 -0.32 -0.43 0.00 0.71 0.00 0.00 54.79 54.75 2uww n ASP 257 Cb 0.33 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.41 2uww n ASP 257 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2uww s GLN 258 N 0.50 4.33 0.38 -1.24 -1.52 -1.26 -4.68 119.66 116.18 2uww s GLN 258 Ca 0.00 1.46 0.11 0.00 -1.95 0.00 0.00 55.36 54.97 2uww s GLN 258 Cb 0.00 -3.60 0.88 0.00 -0.22 0.00 0.00 33.01 30.07 2uww s GLN 258 CO 0.00 -0.49 1.90 -1.49 -0.25 0.00 0.00 175.29 174.96 2uww h TRP 259 N 7.40 0.70 -0.89 0.91 4.06 -1.50 -1.30 115.95 125.34 2uww h TRP 259 Ca -0.27 0.02 0.20 0.00 2.06 0.00 0.00 58.89 60.90 2uww h TRP 259 Cb 1.11 -0.22 -0.07 0.00 -1.00 0.00 0.00 29.16 28.99 2uww h TRP 259 CO 0.74 0.28 0.59 -0.24 -3.56 0.00 0.00 178.44 176.24 2uww h VAL 260 N 0.61 0.69 0.00 1.49 3.04 -1.82 -1.29 116.25 118.98 2uww h VAL 260 Ca 0.40 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.95 2uww h VAL 260 Cb 0.70 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.21 2uww h VAL 260 CO -0.16 0.08 0.00 0.44 -1.01 0.00 0.00 177.57 176.91 2uww h ASP 261 N 0.42 0.00 -0.44 3.17 3.32 -1.63 -2.85 116.42 118.41 2uww h ASP 261 Ca 0.46 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.54 2uww h ASP 261 Cb 1.12 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 2uww h ASP 261 CO -0.18 0.00 0.29 -0.25 -1.72 0.00 0.00 179.24 177.39 2uww h TRP 262 N 0.00 0.48 0.00 4.55 7.01 -1.33 -2.43 115.95 124.24 2uww h TRP 262 Ca 0.00 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.01 2uww h TRP 262 Cb 0.58 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.48 2uww h TRP 262 CO 0.00 0.28 0.00 -1.49 -2.79 0.00 0.00 178.44 174.44 2uww h TRP 263 N 0.50 0.00 -0.06 2.65 4.06 -1.65 -3.09 115.95 118.36 2uww h TRP 263 Ca 0.18 0.00 0.02 0.00 2.06 0.00 0.00 58.89 61.14 2uww h TRP 263 Cb 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.24 2uww h TRP 263 CO -0.00 0.00 0.06 1.96 -3.56 0.00 0.00 178.44 176.90 2uww h GLN 264 N 0.00 0.00 -0.77 0.49 4.20 -1.62 -2.67 115.11 114.73 2uww h GLN 264 Ca 0.00 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.87 2uww h GLN 264 Cb 0.44 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 2uww h GLN 264 CO 0.00 0.00 0.52 0.11 -0.67 0.00 0.00 178.83 178.79 2uww h TRP 265 N 0.00 0.49 0.03 2.96 5.08 -1.76 0.45 115.95 123.21 2uww h TRP 265 Ca 0.03 0.01 -0.14 0.00 1.08 0.00 0.00 58.89 59.88 2uww h TRP 265 Cb 0.16 -0.16 0.01 0.00 -3.00 0.00 0.00 29.16 26.17 2uww h TRP 265 CO 0.00 0.18 -0.55 2.35 -1.28 0.00 0.00 178.44 179.14 2uww h TRP 266 N 0.42 0.50 -0.52 0.12 2.91 -1.75 -3.23 115.95 114.40 2uww h TRP 266 Ca 0.38 -0.29 -0.06 0.00 1.13 0.00 0.00 58.89 60.05 2uww h TRP 266 Cb 0.89 -0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 29.47 2uww h TRP 266 CO -0.00 1.14 0.08 0.28 -1.03 0.00 0.00 178.44 178.91 2uww h VAL 267 N -0.28 1.23 -0.10 2.65 2.07 -1.42 -2.90 116.25 117.51 2uww h VAL 267 Ca -0.08 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.56 2uww h VAL 267 Cb 1.31 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2uww h VAL 267 CO 0.11 0.32 0.00 0.29 0.02 0.00 0.00 177.57 178.31 2uww n LYS 268 N -4.25 1.26 -1.90 1.57 4.01 0.08 -3.78 118.16 115.14 2uww n LYS 268 Ca 0.03 -0.40 -0.42 0.00 -0.51 0.00 0.00 58.31 57.02 2uww n LYS 268 Cb 0.25 -1.18 -0.02 0.00 -0.51 0.00 0.00 35.03 33.58 2uww n LYS 268 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2uww s LEU 269 N -1.21 4.37 0.24 -0.35 1.43 -1.10 -4.67 118.68 117.39 2uww s LEU 269 Ca 0.16 2.78 -0.04 0.00 -1.03 0.00 0.00 54.13 55.99 2uww s LEU 269 Cb 0.08 -3.62 0.44 0.00 0.03 0.00 0.00 46.19 43.11 2uww s LEU 269 CO 0.12 -0.81 1.76 1.55 0.23 0.00 0.00 176.35 179.20 2uww h PRO 270 N 5.28 0.54 -0.54 1.29 0.13 -1.92 0.60 132.00 137.38 2uww h PRO 270 Ca -0.46 -0.03 0.16 0.00 -0.87 0.00 0.00 66.00 64.80 2uww h PRO 270 Cb 1.22 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 2uww h PRO 270 CO 0.81 0.36 0.49 0.11 -0.23 0.00 0.00 178.00 179.54 2uww h TRP 271 N 0.56 0.00 0.00 1.56 5.08 -1.97 -3.27 115.95 117.91 2uww h TRP 271 Ca 0.41 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.38 2uww h TRP 271 Cb 0.54 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.70 2uww h TRP 271 CO -0.12 0.00 0.00 -2.67 -1.28 0.00 0.00 178.44 174.37 2uww n TRP 272 N -3.91 0.00 -0.30 0.12 2.14 -0.57 -4.86 117.44 110.05 2uww n TRP 272 Ca 0.10 0.00 0.30 0.00 2.07 0.00 0.00 57.50 59.97 2uww n TRP 272 Cb 0.70 0.00 0.65 0.00 -0.81 0.00 0.00 31.31 31.86 2uww n TRP 272 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2uww h ALA 273 N 0.00 2.74 -0.10 -1.67 0.00 -0.97 -2.65 119.26 116.61 2uww h ALA 273 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2uww h ALA 273 Cb 0.21 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2uww h ALA 273 CO 0.00 -1.10 0.00 0.09 0.00 0.00 0.00 179.25 178.24 2uww n ASN 274 N -4.37 2.12 -4.70 0.00 3.02 -1.26 -4.94 115.26 105.14 2uww n ASN 274 Ca 0.24 -1.59 -0.42 0.00 -0.03 0.00 0.00 54.58 52.78 2uww n ASN 274 Cb 1.07 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 40.15 2uww n ASN 274 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2uww s ILE 275 N -0.87 4.01 0.80 2.41 1.01 -1.00 -5.02 121.20 122.54 2uww s ILE 275 Ca 0.14 1.40 -0.11 0.00 0.00 0.00 0.00 60.65 62.08 2uww s ILE 275 Cb 0.09 -3.90 0.07 0.00 0.01 0.00 0.00 42.46 38.73 2uww s ILE 275 CO 0.13 0.05 1.10 -2.84 0.00 0.00 0.00 174.94 173.38 2uww s PRO 276 N 1.69 2.09 0.00 2.79 0.02 -1.26 -4.64 135.00 135.68 2uww s PRO 276 Ca 0.59 0.63 0.00 0.00 0.02 0.00 0.00 61.00 62.24 2uww s PRO 276 Cb -0.29 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.31 2uww s PRO 276 CO 0.26 -1.62 0.00 0.41 -0.33 0.00 0.00 177.00 175.73 2uww n GLY 277 N -2.11 -3.66 7.00 0.52 0.00 -1.26 -4.95 105.19 100.72 2uww n GLY 277 Ca 0.07 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2uww n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uww n GLY 278 N -0.35 -0.07 0.12 -0.02 0.00 -1.26 -2.72 105.19 100.89 2uww n GLY 278 Ca 0.00 -1.00 -0.18 0.00 0.00 0.00 0.00 46.02 44.84 2uww n GLY 278 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2uww h ILE 279 N 0.00 0.92 -0.54 -0.61 1.08 -1.99 -3.37 117.51 113.01 2uww h ILE 279 Ca 0.00 -2.61 -0.13 0.00 -0.39 0.00 0.00 64.86 61.73 2uww h ILE 279 Cb 0.00 2.64 -0.08 0.00 -3.07 0.00 0.00 36.82 36.31 2uww h ILE 279 CO 0.00 0.80 0.12 0.59 -0.69 0.00 0.00 178.15 178.97 2uww n ASN 280 N -3.42 4.38 0.00 1.72 3.02 -1.26 -5.26 115.26 114.43 2uww n ASN 280 Ca -0.22 -3.21 0.00 0.00 -0.03 0.00 0.00 54.58 51.12 2uww n ASN 280 Cb 1.05 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 2uww n ASN 280 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25