#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aup h LYS 2 N 0.00 0.84 0.27 -1.46 1.57 -1.98 0.32 116.57 116.13 1aup h LYS 2 Ca 0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1aup h LYS 2 Cb 0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1aup h LYS 2 CO 0.00 0.78 -0.28 -0.92 -0.57 0.00 0.00 179.45 178.45 1aup h TYR 3 N 0.75 -0.75 -0.28 -1.35 3.20 -2.01 0.48 116.97 117.01 1aup h TYR 3 Ca 0.17 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.11 1aup h TYR 3 Cb 0.29 0.30 -0.05 0.00 1.54 0.00 0.00 36.73 38.80 1aup h TYR 3 CO 0.02 -0.41 -0.07 0.28 -1.64 0.00 0.00 178.16 176.34 1aup h VAL 4 N -0.59 0.71 -0.30 1.81 2.07 -1.92 -1.88 116.25 116.15 1aup h VAL 4 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1aup h VAL 4 Cb 0.55 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1aup h VAL 4 CO -0.07 0.00 0.04 0.44 0.02 0.00 0.00 177.57 178.01 1aup h ASP 5 N -0.01 0.40 0.40 0.57 3.32 0.03 -2.54 116.42 118.59 1aup h ASP 5 Ca 0.13 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1aup h ASP 5 Cb 0.21 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1aup h ASP 5 CO -0.29 0.43 -0.19 -0.09 -1.72 0.00 0.00 179.24 177.38 1aup h ARG 6 N 0.43 -0.51 -0.88 3.56 2.43 -0.17 -2.36 114.38 116.89 1aup h ARG 6 Ca 0.10 0.03 0.21 0.00 -0.81 0.00 0.00 59.98 59.52 1aup h ARG 6 Cb 0.22 0.12 -0.16 0.00 -0.42 0.00 0.00 29.97 29.72 1aup h ARG 6 CO 0.00 -0.34 -0.01 0.28 -1.51 0.00 0.00 179.97 178.39 1aup h VAL 7 N -0.71 0.18 0.02 0.20 2.07 -1.37 0.43 116.25 117.08 1aup h VAL 7 Ca -0.05 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1aup h VAL 7 Cb 0.41 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1aup h VAL 7 CO 0.09 0.01 -0.28 0.40 0.02 0.00 0.00 177.57 177.81 1aup h ILE 8 N 0.06 0.38 -0.71 4.57 2.04 -1.48 0.16 117.51 122.53 1aup h ILE 8 Ca 0.49 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.46 1aup h ILE 8 Cb 0.92 0.38 -0.08 0.00 -0.74 0.00 0.00 36.82 37.31 1aup h ILE 8 CO -0.81 0.00 0.32 0.00 0.00 0.00 0.00 178.15 177.67 1aup h ALA 9 N 0.35 0.99 -0.29 1.87 0.00 0.22 -0.35 119.26 122.05 1aup h ALA 9 Ca 0.06 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1aup h ALA 9 Cb 0.51 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1aup h ALA 9 CO -0.23 -0.12 0.17 0.93 0.00 0.00 0.00 179.25 180.01 1aup h GLU 10 N 0.53 0.40 -0.88 0.00 5.08 0.59 -2.11 114.58 118.18 1aup h GLU 10 Ca 0.37 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.71 1aup h GLU 10 Cb 0.46 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1aup h GLU 10 CO -0.32 0.32 0.58 0.28 -1.00 0.00 0.00 179.01 178.87 1aup h VAL 11 N 0.36 1.19 -0.41 3.13 2.07 0.16 -0.26 116.25 122.48 1aup h VAL 11 Ca 0.10 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.25 1aup h VAL 11 Cb 0.03 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 29.70 1aup h VAL 11 CO -0.02 0.21 0.22 -0.08 0.02 0.00 0.00 177.57 177.92 1aup h GLU 12 N 1.16 0.42 0.00 1.57 4.81 -0.78 0.05 114.58 121.81 1aup h GLU 12 Ca 0.34 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1aup h GLU 12 Cb -0.07 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1aup h GLU 12 CO -0.09 0.28 0.00 1.17 -0.73 0.00 0.00 179.01 179.64 1aup n LYS 13 N -4.90 0.00 -0.33 1.92 0.00 -0.82 -2.22 118.16 111.80 1aup n LYS 13 Ca 0.02 0.44 0.24 0.00 0.00 0.00 0.00 58.31 59.00 1aup n LYS 13 Cb 0.09 -1.35 0.47 0.00 0.00 0.00 0.00 35.03 34.24 1aup n LYS 13 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1aup h LYS 14 N 0.00 0.25 -0.25 1.64 3.64 -1.00 -1.08 116.57 119.77 1aup h LYS 14 Ca 0.00 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 1aup h LYS 14 Cb 0.00 -0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 31.64 1aup h LYS 14 CO 0.00 0.17 -0.45 0.66 -2.27 0.00 0.00 179.45 177.56 1aup n TYR 15 N -5.11 0.88 -0.41 1.91 4.01 -0.00 -4.77 117.16 113.67 1aup n TYR 15 Ca 0.31 -1.71 0.33 0.00 -0.16 0.00 0.00 57.90 56.67 1aup n TYR 15 Cb 0.99 -0.35 0.61 0.00 -0.31 0.00 0.00 39.34 40.28 1aup n TYR 15 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1aup h ALA 16 N 1.27 2.53 0.00 -0.72 0.00 -0.71 0.63 119.26 122.26 1aup h ALA 16 Ca 0.14 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1aup h ALA 16 Cb 1.25 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1aup h ALA 16 CO 0.28 -1.15 0.00 -0.25 0.00 0.00 0.00 179.25 178.13 1aup n ASP 17 N -4.79 0.00 -3.75 0.00 8.00 -1.26 -4.02 116.55 110.74 1aup n ASP 17 Ca 0.35 0.20 -0.30 0.00 0.71 0.00 0.00 54.79 55.75 1aup n ASP 17 Cb 1.30 -0.39 -0.08 0.00 -0.02 0.00 0.00 41.12 41.93 1aup n ASP 17 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1aup n GLU 18 N -1.39 2.48 0.09 -1.24 1.02 0.22 -4.96 120.64 116.87 1aup n GLU 18 Ca 0.09 -4.58 -0.12 0.00 -0.02 0.00 0.00 57.16 52.54 1aup n GLU 18 Cb 0.25 -2.32 -0.06 0.00 -0.02 0.00 0.00 31.44 29.29 1aup n GLU 18 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1aup h PRO 19 N 4.98 -0.29 -0.67 3.49 0.13 -1.73 -1.64 132.00 136.27 1aup h PRO 19 Ca 0.18 0.02 0.14 0.00 -0.87 0.00 0.00 66.00 65.47 1aup h PRO 19 Cb 0.71 0.06 -0.10 0.00 0.13 0.00 0.00 31.00 31.81 1aup h PRO 19 CO 0.84 -0.19 0.14 0.93 -0.23 0.00 0.00 178.00 179.49 1aup h GLU 20 N -0.30 0.24 -0.52 0.86 3.07 -1.93 0.33 114.58 116.33 1aup h GLU 20 Ca 0.02 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 1aup h GLU 20 Cb 0.31 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 1aup h GLU 20 CO -0.08 0.16 0.26 0.35 -1.40 0.00 0.00 179.01 178.30 1aup h PHE 21 N 0.25 0.75 -0.39 4.33 3.57 -1.65 -0.57 116.94 123.21 1aup h PHE 21 Ca 0.37 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.83 1aup h PHE 21 Cb 0.60 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1aup h PHE 21 CO -0.27 0.58 0.24 0.28 -2.23 0.00 0.00 178.31 176.90 1aup h VAL 22 N 0.70 1.12 0.06 1.41 2.07 -0.17 -1.78 116.25 119.66 1aup h VAL 22 Ca 0.18 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1aup h VAL 22 Cb 0.10 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1aup h VAL 22 CO -0.02 0.12 -0.23 -0.61 0.02 0.00 0.00 177.57 176.85 1aup h GLN 23 N 0.52 -0.39 -0.98 1.57 4.15 0.01 -1.26 115.11 118.73 1aup h GLN 23 Ca 0.14 0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.68 1aup h GLN 23 Cb -0.01 0.09 -0.07 0.00 0.21 0.00 0.00 27.48 27.70 1aup h GLN 23 CO -0.03 -0.26 0.63 1.15 -1.93 0.00 0.00 178.83 178.39 1aup h THR 24 N -0.40 0.99 -0.18 2.39 2.02 -0.89 -2.32 112.91 114.52 1aup h THR 24 Ca 0.04 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 1aup h THR 24 Cb 0.45 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1aup h THR 24 CO -0.17 0.19 0.00 0.58 0.37 0.00 0.00 175.52 176.49 1aup h VAL 25 N 1.03 1.25 0.37 3.16 2.07 -0.62 -2.05 116.25 121.46 1aup h VAL 25 Ca 0.46 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1aup h VAL 25 Cb 0.36 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1aup h VAL 25 CO -0.21 0.25 -0.51 -0.08 0.02 0.00 0.00 177.57 177.05 1aup h GLU 26 N 0.07 -0.88 -0.45 1.57 4.81 -0.94 0.49 114.58 119.26 1aup h GLU 26 Ca 0.05 0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.40 1aup h GLU 26 Cb 0.38 0.20 -0.09 0.00 0.63 0.00 0.00 28.75 29.87 1aup h GLU 26 CO 0.01 -0.59 -0.51 1.49 -0.73 0.00 0.00 179.01 178.68 1aup h GLU 27 N -0.91 -0.34 0.19 1.92 4.22 -1.42 0.64 114.58 118.88 1aup h GLU 27 Ca -0.04 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.41 1aup h GLU 27 Cb 0.83 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1aup h GLU 27 CO -0.14 -0.22 -0.09 0.28 -2.18 0.00 0.00 179.01 176.66 1aup h VAL 28 N -0.35 0.82 -0.45 0.32 2.07 -1.15 -3.02 116.25 114.49 1aup h VAL 28 Ca 0.11 -0.02 -0.13 0.00 0.82 0.00 0.00 66.70 67.47 1aup h VAL 28 Cb 0.59 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1aup h VAL 28 CO -0.61 0.01 -0.23 -0.07 0.02 0.00 0.00 177.57 176.68 1aup h LEU 29 N -0.26 0.99 -1.96 2.57 3.38 -0.62 -2.60 115.31 116.80 1aup h LEU 29 Ca -0.03 -0.41 0.15 0.00 0.09 0.00 0.00 57.88 57.69 1aup h LEU 29 Cb 0.20 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1aup h LEU 29 CO 0.04 1.18 0.49 0.77 0.09 0.00 0.00 178.44 181.01 1aup h SER 30 N 0.80 0.00 0.82 -0.43 4.64 0.35 0.88 113.55 120.61 1aup h SER 30 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1aup h SER 30 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1aup h SER 30 CO 0.07 0.00 -0.29 -1.54 -0.87 0.00 0.00 176.83 174.20 1aup n SER 31 N -3.88 0.37 -0.22 4.97 3.41 -0.98 -4.22 113.62 113.06 1aup n SER 31 Ca 0.10 0.15 0.13 0.00 -0.26 0.00 0.00 58.87 58.99 1aup n SER 31 Cb 0.71 -0.13 0.39 0.00 -0.26 0.00 0.00 64.21 64.92 1aup n SER 31 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1aup n LEU 32 N -1.65 0.93 0.00 1.04 4.77 0.31 -4.65 117.00 117.74 1aup n LEU 32 Ca 0.06 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1aup n LEU 32 Cb 0.36 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1aup n LEU 32 CO 0.32 0.18 0.42 0.61 -1.33 0.00 0.00 177.39 177.58 1aup n GLY 33 N 1.34 -3.16 0.32 -0.72 0.00 -1.25 -2.04 105.19 99.68 1aup n GLY 33 Ca 0.12 0.62 0.06 0.00 0.00 0.00 0.00 46.02 46.82 1aup n GLY 33 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1aup n PRO 34 N -2.43 -0.08 0.22 1.61 -0.02 -1.26 -1.03 135.00 132.01 1aup n PRO 34 Ca 0.00 1.38 -0.15 0.00 -2.02 0.00 0.00 63.50 62.71 1aup n PRO 34 Cb 0.00 -2.07 -0.08 0.00 -0.02 0.00 0.00 33.50 31.32 1aup n PRO 34 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1aup h VAL 35 N 0.00 0.60 -0.82 -1.45 2.07 -1.76 -2.78 116.25 112.11 1aup h VAL 35 Ca 0.43 -0.25 0.18 0.00 0.82 0.00 0.00 66.70 67.88 1aup h VAL 35 Cb 0.67 0.72 -0.11 0.00 -1.52 0.00 0.00 31.29 31.05 1aup h VAL 35 CO -0.91 0.05 0.32 0.58 0.02 0.00 0.00 177.57 177.63 1aup h VAL 36 N -0.69 0.55 -0.37 2.57 2.07 -0.57 0.13 116.25 119.95 1aup h VAL 36 Ca -0.06 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.38 1aup h VAL 36 Cb 0.49 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1aup h VAL 36 CO 0.09 0.07 0.25 0.44 0.02 0.00 0.00 177.57 178.45 1aup h ASP 37 N 0.40 0.23 0.02 0.57 3.32 -0.90 0.81 116.42 120.88 1aup h ASP 37 Ca 0.48 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1aup h ASP 37 Cb 0.82 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.32 1aup h ASP 37 CO -0.48 0.15 -0.04 0.00 -1.72 0.00 0.00 179.24 177.16 1aup n ALA 38 N -2.53 2.65 -3.45 3.45 0.00 0.38 -4.45 120.51 116.56 1aup n ALA 38 Ca 0.05 -0.43 -0.27 0.00 0.00 0.00 0.00 53.44 52.78 1aup n ALA 38 Cb 0.25 -1.17 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 1aup n ALA 38 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1aup n HIS 39 N 0.03 0.11 0.27 0.00 8.25 0.28 -4.90 115.22 119.26 1aup n HIS 39 Ca 0.18 -3.56 0.16 0.00 -0.26 0.00 0.00 57.72 54.24 1aup n HIS 39 Cb 0.35 -0.03 0.67 0.00 1.12 0.00 0.00 29.99 32.10 1aup n HIS 39 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1aup h PRO 40 N 5.24 0.00 0.00 -0.41 0.13 -1.78 -2.35 132.00 132.84 1aup h PRO 40 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1aup h PRO 40 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1aup h PRO 40 CO 0.47 0.03 0.00 1.05 -0.23 0.00 0.00 178.00 179.32 1aup h GLU 41 N 0.00 0.00 -0.06 0.86 9.09 -1.90 -3.01 114.58 119.56 1aup h GLU 41 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 1aup h GLU 41 Cb 0.53 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.63 1aup h GLU 41 CO 0.00 0.00 0.00 1.88 0.05 0.00 0.00 179.01 180.95 1aup h TYR 42 N 0.00 0.12 -0.84 2.06 0.05 -1.77 -3.04 116.97 113.55 1aup h TYR 42 Ca 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1aup h TYR 42 Cb 0.43 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.10 1aup h TYR 42 CO 0.00 0.37 0.54 1.49 -1.05 0.00 0.00 178.16 179.51 1aup h GLU 43 N -0.16 1.12 -0.77 4.88 4.81 -1.70 -1.80 114.58 120.96 1aup h GLU 43 Ca 0.02 -0.08 0.18 0.00 -0.13 0.00 0.00 59.36 59.35 1aup h GLU 43 Cb 0.32 -0.25 -0.05 0.00 0.63 0.00 0.00 28.75 29.41 1aup h GLU 43 CO 0.00 0.76 0.53 0.93 -0.73 0.00 0.00 179.01 180.50 1aup h GLU 44 N 1.15 0.25 -0.34 1.92 5.08 -1.55 0.20 114.58 121.28 1aup h GLU 44 Ca 0.31 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.56 1aup h GLU 44 Cb -0.10 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 1aup h GLU 44 CO -0.06 0.16 0.02 1.33 -1.00 0.00 0.00 179.01 179.46 1aup n VAL 45 N -4.43 2.45 -4.10 3.13 0.24 -0.74 -4.97 118.33 109.91 1aup n VAL 45 Ca 0.15 -2.16 -0.31 0.00 -2.04 0.00 0.00 64.34 59.99 1aup n VAL 45 Cb 0.66 -0.29 -0.04 0.00 -1.47 0.00 0.00 33.84 32.70 1aup n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1aup n ALA 46 N -0.72 -2.14 0.02 2.33 0.00 0.06 -4.86 120.51 115.20 1aup n ALA 46 Ca 0.28 -0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.21 1aup n ALA 46 Cb 1.00 -1.56 -0.09 0.00 0.00 0.00 0.00 19.45 18.80 1aup n ALA 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1aup h LEU 47 N -1.94 -0.04 -0.48 0.00 5.85 -1.63 -2.09 115.31 114.99 1aup h LEU 47 Ca -0.66 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 57.79 1aup h LEU 47 Cb 1.39 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 1aup h LEU 47 CO 0.63 0.26 0.32 -0.07 -0.34 0.00 0.00 178.44 179.24 1aup h LEU 48 N -0.34 0.55 -1.63 2.25 3.38 -1.89 -1.25 115.31 116.38 1aup h LEU 48 Ca -0.00 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.03 1aup h LEU 48 Cb 0.31 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1aup h LEU 48 CO 0.01 0.40 0.37 -0.33 0.09 0.00 0.00 178.44 178.98 1aup h GLU 49 N 0.65 0.42 0.10 1.13 3.07 -1.92 -1.46 114.58 116.57 1aup h GLU 49 Ca 0.18 -0.03 -0.29 0.00 -0.50 0.00 0.00 59.36 58.72 1aup h GLU 49 Cb -0.07 -0.09 0.03 0.00 -0.84 0.00 0.00 28.75 27.77 1aup h GLU 49 CO -0.04 0.28 -1.21 0.00 -1.40 0.00 0.00 179.01 176.64 1aup h ARG 50 N 0.43 0.60 -0.58 2.33 3.08 -0.89 -3.34 114.38 116.01 1aup h ARG 50 Ca 0.25 -0.78 -0.01 0.00 0.07 0.00 0.00 59.98 59.51 1aup h ARG 50 Cb 0.41 0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 1aup h ARG 50 CO -0.07 1.35 0.32 0.52 -1.07 0.00 0.00 179.97 181.02 1aup h MET 51 N 0.27 0.79 0.00 0.04 2.86 -0.20 -2.37 114.93 116.32 1aup h MET 51 Ca -0.17 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1aup h MET 51 Cb 1.88 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.37 1aup h MET 51 CO 0.23 0.57 0.00 1.33 1.06 0.00 0.00 176.91 180.10 1aup n VAL 52 N -4.40 0.21 -3.94 -2.22 0.24 -0.88 -4.63 118.33 102.71 1aup n VAL 52 Ca 0.05 0.05 -0.35 0.00 -2.04 0.00 0.00 64.34 62.05 1aup n VAL 52 Cb 0.09 -0.62 -0.12 0.00 -1.47 0.00 0.00 33.84 31.72 1aup n VAL 52 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1aup s ILE 53 N -2.79 4.12 0.52 1.34 1.01 -0.89 -5.07 121.20 119.43 1aup s ILE 53 Ca 0.18 -0.25 -0.22 0.00 0.00 0.00 0.00 60.65 60.36 1aup s ILE 53 Cb 0.17 -2.89 -0.06 0.00 0.01 0.00 0.00 42.46 39.69 1aup s ILE 53 CO 0.43 0.40 1.30 -0.81 0.00 0.00 0.00 174.94 176.26 1aup n PRO 54 N 4.47 1.69 -0.12 2.79 -0.04 -1.26 -4.88 135.00 137.65 1aup n PRO 54 Ca -0.17 0.62 -0.08 0.00 -0.04 0.00 0.00 63.50 63.83 1aup n PRO 54 Cb 0.52 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 1aup n PRO 54 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1aup h GLU 55 N 1.53 0.49 -2.84 0.54 5.08 -1.09 -3.44 114.58 114.85 1aup h GLU 55 Ca -0.50 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 57.70 1aup h GLU 55 Cb 1.31 -0.11 -0.25 0.00 0.50 0.00 0.00 28.75 30.20 1aup h GLU 55 CO 0.57 0.32 -0.30 0.50 -1.00 0.00 0.00 179.01 179.10 1aup s ARG 56 N -6.16 0.41 -0.06 2.33 3.52 -0.72 -5.05 118.95 113.21 1aup s ARG 56 Ca -0.13 0.54 0.05 0.00 -0.13 0.00 0.00 55.73 56.06 1aup s ARG 56 Cb 0.11 0.16 -0.00 0.00 -1.56 0.00 0.00 34.95 33.65 1aup s ARG 56 CO 0.72 -0.07 -0.21 0.08 -0.81 0.00 0.00 175.30 175.01 1aup s VAL 57 N 0.41 1.76 -0.12 7.11 1.01 -1.26 -1.06 120.40 128.25 1aup s VAL 57 Ca -0.02 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1aup s VAL 57 Cb -0.04 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.85 1aup s VAL 57 CO -0.02 0.49 -0.13 -0.63 0.00 0.00 0.00 175.10 174.82 1aup s ILE 58 N 0.09 1.35 -0.01 2.22 1.09 -0.26 -5.00 121.20 120.68 1aup s ILE 58 Ca -0.08 -0.53 0.08 0.00 -1.10 0.00 0.00 60.65 59.02 1aup s ILE 58 Cb -0.14 -1.28 -0.02 0.00 -1.06 0.00 0.00 42.46 39.96 1aup s ILE 58 CO 0.04 0.42 -0.24 -1.61 -0.10 0.00 0.00 174.94 173.45 1aup s GLU 59 N 1.30 2.09 0.02 2.79 2.02 -1.26 -0.28 118.70 125.38 1aup s GLU 59 Ca -0.01 -0.94 -0.16 0.00 0.02 0.00 0.00 54.97 53.88 1aup s GLU 59 Cb -0.14 -2.08 0.03 0.00 0.10 0.00 0.00 34.13 32.04 1aup s GLU 59 CO -0.06 0.56 0.35 -0.59 0.02 0.00 0.00 175.26 175.54 1aup s PHE 60 N -0.68 -0.19 0.07 1.61 -0.71 0.12 -4.94 117.98 113.26 1aup s PHE 60 Ca 0.11 0.17 -0.30 0.00 -1.04 0.00 0.00 56.93 55.87 1aup s PHE 60 Cb -0.10 0.14 -0.05 0.00 -1.21 0.00 0.00 43.02 41.80 1aup s PHE 60 CO 0.00 -0.49 1.05 0.50 -1.34 0.00 0.00 175.22 174.94 1aup s ARG 61 N -2.10 4.56 -0.47 1.99 3.52 -1.26 0.59 118.95 125.79 1aup s ARG 61 Ca -0.08 1.57 0.03 0.00 -0.13 0.00 0.00 55.73 57.12 1aup s ARG 61 Cb -0.02 -3.38 0.14 0.00 -1.56 0.00 0.00 34.95 30.12 1aup s ARG 61 CO -0.00 -0.02 0.25 0.08 -0.81 0.00 0.00 175.30 174.80 1aup s VAL 62 N 0.58 1.81 0.10 7.11 1.01 0.50 -4.86 120.40 126.65 1aup s VAL 62 Ca 0.52 -2.85 -0.24 0.00 0.00 0.00 0.00 61.98 59.41 1aup s VAL 62 Cb -0.25 -2.26 -0.07 0.00 0.00 0.00 0.00 36.38 33.80 1aup s VAL 62 CO 0.30 -0.87 0.72 -2.16 0.00 0.00 0.00 175.10 173.09 1aup s PRO 63 N 0.09 4.46 0.09 2.72 0.04 -1.26 -1.04 135.00 140.10 1aup s PRO 63 Ca 0.18 1.02 -0.12 0.00 0.04 0.00 0.00 61.00 62.13 1aup s PRO 63 Cb -0.24 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 31.02 1aup s PRO 63 CO -0.01 0.48 0.27 1.67 0.04 0.00 0.00 177.00 179.46 1aup s TRP 64 N -0.74 0.01 -0.12 0.56 1.48 0.25 -4.87 118.94 115.51 1aup s TRP 64 Ca 0.35 -0.37 -0.02 0.00 -1.06 0.00 0.00 56.10 55.00 1aup s TRP 64 Cb -0.21 0.06 -0.03 0.00 -1.16 0.00 0.00 33.47 32.13 1aup s TRP 64 CO 0.23 -0.59 -0.04 -2.00 -4.06 0.00 0.00 176.95 170.50 1aup s GLU 65 N -3.69 3.35 0.89 3.25 2.12 -1.26 0.13 118.70 123.50 1aup s GLU 65 Ca 0.03 -0.50 -0.11 0.00 0.36 0.00 0.00 54.97 54.75 1aup s GLU 65 Cb 0.03 -2.83 0.18 0.00 0.26 0.00 0.00 34.13 31.78 1aup s GLU 65 CO -0.10 0.42 1.22 0.16 -0.54 0.00 0.00 175.26 176.41 1aup s ASP 66 N -0.12 3.47 0.57 -1.70 1.47 0.19 -4.90 116.67 115.66 1aup s ASP 66 Ca 0.03 0.02 0.39 0.00 1.18 0.00 0.00 52.55 54.16 1aup s ASP 66 Cb -0.13 -0.15 2.09 0.00 -0.34 0.00 0.00 42.92 44.39 1aup s ASP 66 CO 0.02 -2.48 2.18 0.44 0.68 0.00 0.00 175.17 176.02 1aup h ASP 67 N -1.29 0.00 -0.40 2.11 3.32 -1.97 -1.25 116.42 116.94 1aup h ASP 67 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1aup h ASP 67 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1aup h ASP 67 CO 0.37 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.48 1aup n ASN 68 N -2.86 3.06 0.00 6.45 5.03 -1.26 -4.90 115.26 120.78 1aup n ASN 68 Ca -0.02 -1.94 0.00 0.00 0.87 0.00 0.00 54.58 53.48 1aup n ASN 68 Cb 0.07 -0.26 0.00 0.00 -1.02 0.00 0.00 39.78 38.57 1aup n ASN 68 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1aup n GLY 69 N 1.43 0.87 3.74 7.41 0.00 -0.47 -5.01 105.19 113.15 1aup n GLY 69 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1aup n GLY 69 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aup s LYS 70 N -0.14 4.68 -0.01 1.61 2.20 -1.26 -4.75 119.74 122.08 1aup s LYS 70 Ca 0.00 1.56 -0.16 0.00 -0.36 0.00 0.00 55.97 57.01 1aup s LYS 70 Cb 0.00 -3.32 -0.06 0.00 -1.51 0.00 0.00 37.83 32.94 1aup s LYS 70 CO 0.00 0.21 0.45 0.08 -0.36 0.00 0.00 175.35 175.73 1aup s VAL 71 N -0.30 5.01 0.11 4.02 1.01 -1.26 0.57 120.40 129.56 1aup s VAL 71 Ca 0.47 0.93 0.06 0.00 0.00 0.00 0.00 61.98 63.44 1aup s VAL 71 Cb -0.26 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1aup s VAL 71 CO 0.32 0.52 -0.14 -1.00 0.00 0.00 0.00 175.10 174.80 1aup s HIS 72 N -0.73 1.36 -0.04 5.22 0.09 0.36 -4.96 115.29 116.59 1aup s HIS 72 Ca 0.25 -0.53 0.00 0.00 -0.00 0.00 0.00 55.06 54.79 1aup s HIS 72 Cb -0.17 -0.73 0.03 0.00 -0.00 0.00 0.00 32.58 31.71 1aup s HIS 72 CO 0.14 0.12 -0.01 0.54 -0.00 0.00 0.00 174.74 175.53 1aup s VAL 73 N -1.87 0.27 0.48 -0.90 0.11 -1.26 0.88 120.40 118.11 1aup s VAL 73 Ca 0.06 0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.17 1aup s VAL 73 Cb -0.06 -0.36 -0.01 0.00 -1.53 0.00 0.00 36.38 34.42 1aup s VAL 73 CO 0.03 0.17 0.07 0.20 -3.33 0.00 0.00 175.10 172.24 1aup s ASN 74 N 1.07 3.60 -0.10 3.54 -0.87 -0.21 -4.95 114.94 117.03 1aup s ASN 74 Ca -0.09 -1.71 0.02 0.00 -1.57 0.00 0.00 52.86 49.50 1aup s ASN 74 Cb -0.14 0.63 -0.02 0.00 -0.02 0.00 0.00 41.25 41.71 1aup s ASN 74 CO -0.01 -0.95 -0.16 -0.89 -2.57 0.00 0.00 177.10 172.52 1aup s THR 75 N -3.02 2.83 0.11 1.60 2.01 -1.26 -0.37 115.64 117.54 1aup s THR 75 Ca 0.11 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.36 1aup s THR 75 Cb 0.01 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 1aup s THR 75 CO 0.07 0.55 0.22 -0.83 -0.69 0.00 0.00 174.62 173.94 1aup s GLY 76 N 0.03 1.93 0.01 4.40 0.00 0.20 -3.12 107.32 110.78 1aup s GLY 76 Ca -0.06 -0.97 -0.01 0.00 0.00 0.00 0.00 44.72 43.68 1aup s GLY 76 CO 0.05 -0.96 -0.01 -0.19 0.00 0.00 0.00 173.10 171.99 1aup s TYR 77 N -1.62 0.17 -0.22 1.90 2.02 -0.01 -0.70 117.35 118.89 1aup s TYR 77 Ca 0.34 -0.35 -0.04 0.00 -0.37 0.00 0.00 57.07 56.65 1aup s TYR 77 Cb -0.12 -0.13 0.11 0.00 -0.40 0.00 0.00 41.96 41.43 1aup s TYR 77 CO 0.27 -0.15 0.33 0.50 -1.57 0.00 0.00 175.55 174.93 1aup s ARG 78 N -1.08 0.29 -0.42 -0.62 6.06 0.61 -1.75 118.95 122.04 1aup s ARG 78 Ca -0.12 0.51 -0.09 0.00 -2.50 0.00 0.00 55.73 53.53 1aup s ARG 78 Cb -0.07 -0.56 0.08 0.00 0.06 0.00 0.00 34.95 34.46 1aup s ARG 78 CO -0.01 -0.58 0.27 0.08 -2.50 0.00 0.00 175.30 172.56 1aup s VAL 79 N 2.48 4.27 -0.97 7.11 1.01 0.23 -1.10 120.40 133.43 1aup s VAL 79 Ca 0.09 -1.39 -0.15 0.00 0.00 0.00 0.00 61.98 60.53 1aup s VAL 79 Cb -0.15 -3.61 0.19 0.00 0.00 0.00 0.00 36.38 32.80 1aup s VAL 79 CO -0.14 -0.51 1.06 -1.10 0.00 0.00 0.00 175.10 174.41 1aup s GLN 80 N 1.43 3.77 -0.03 2.72 -0.21 -0.22 -1.52 119.66 125.60 1aup s GLN 80 Ca 0.03 -2.32 -0.23 0.00 0.02 0.00 0.00 55.36 52.86 1aup s GLN 80 Cb -0.23 -4.74 -0.17 0.00 1.00 0.00 0.00 33.01 28.87 1aup s GLN 80 CO 0.02 -1.55 1.07 0.35 -2.12 0.00 0.00 175.29 173.06 1aup h PHE 81 N 7.93 -0.20 -2.71 0.91 3.04 -1.64 -1.85 116.94 122.41 1aup h PHE 81 Ca 0.17 -0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.98 1aup h PHE 81 Cb 0.98 0.07 -0.28 0.00 2.56 0.00 0.00 35.95 39.28 1aup h PHE 81 CO 1.06 0.22 -0.36 1.21 -2.02 0.00 0.00 178.31 178.42 1aup s ASN 82 N -5.42 -0.37 -0.10 0.41 3.84 -1.06 -1.88 114.94 110.34 1aup s ASN 82 Ca -0.14 0.81 0.14 0.00 0.21 0.00 0.00 52.86 53.88 1aup s ASN 82 Cb 0.01 0.77 0.26 0.00 -0.55 0.00 0.00 41.25 41.74 1aup s ASN 82 CO 0.54 -0.20 1.13 0.61 -2.79 0.00 0.00 177.10 176.40 1aup n GLY 83 N 4.48 3.65 0.20 1.21 0.00 -1.26 -0.54 105.19 112.94 1aup n GLY 83 Ca -0.21 -0.89 -0.02 0.00 0.00 0.00 0.00 46.02 44.90 1aup n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aup h ALA 84 N 0.25 0.44 0.00 4.61 0.00 -1.95 -3.01 119.26 119.60 1aup h ALA 84 Ca -0.02 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1aup h ALA 84 Cb 1.16 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1aup h ALA 84 CO 0.01 -0.41 -0.87 -0.84 0.00 0.00 0.00 179.25 177.14 1aup h ILE 85 N 0.07 0.00 0.00 0.00 3.07 -1.88 -3.46 117.51 115.32 1aup h ILE 85 Ca 0.26 -0.99 0.00 0.00 1.55 0.00 0.00 64.86 65.67 1aup h ILE 85 Cb 0.39 1.56 0.00 0.00 -0.27 0.00 0.00 36.82 38.50 1aup h ILE 85 CO -0.46 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.25 1aup n GLY 86 N 1.17 -0.77 3.48 0.16 0.00 -1.14 -4.33 105.19 103.77 1aup n GLY 86 Ca 0.01 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 1aup n GLY 86 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1aup n PRO 87 N -0.35 0.61 -1.75 1.61 -0.04 -1.26 -2.00 135.00 131.82 1aup n PRO 87 Ca 0.00 0.23 -0.35 0.00 -0.04 0.00 0.00 63.50 63.34 1aup n PRO 87 Cb 0.00 -1.71 0.06 0.00 -0.04 0.00 0.00 33.50 31.81 1aup n PRO 87 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1aup s TYR 88 N -1.62 2.26 -0.10 0.54 2.02 -0.39 0.15 117.35 120.20 1aup s TYR 88 Ca 0.67 1.55 -0.07 0.00 -0.37 0.00 0.00 57.07 58.85 1aup s TYR 88 Cb -0.48 -3.47 0.04 0.00 -0.40 0.00 0.00 41.96 37.64 1aup s TYR 88 CO 0.55 -2.38 0.26 -1.17 -1.57 0.00 0.00 175.55 171.24 1aup s LEU 89 N -4.56 0.71 0.00 -1.29 2.96 -0.98 -1.18 118.68 114.34 1aup s LEU 89 Ca 0.76 0.54 0.00 0.00 -0.22 0.00 0.00 54.13 55.20 1aup s LEU 89 Cb -0.30 0.84 0.00 0.00 0.50 0.00 0.00 46.19 47.23 1aup s LEU 89 CO 0.39 -0.13 0.00 0.61 -1.32 0.00 0.00 176.35 175.90 1aup n GLY 90 N 3.55 1.45 2.08 7.98 0.00 -0.49 -1.83 105.19 117.94 1aup n GLY 90 Ca -0.19 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 1aup n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aup n GLY 91 N -0.31 0.36 3.15 -0.02 0.00 -1.26 -0.50 105.19 106.62 1aup n GLY 91 Ca 0.00 -1.94 -0.26 0.00 0.00 0.00 0.00 46.02 43.81 1aup n GLY 91 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aup s LEU 92 N 0.00 1.95 -0.15 0.99 1.43 -0.97 -1.34 118.68 120.59 1aup s LEU 92 Ca 0.36 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1aup s LEU 92 Cb -0.02 -1.00 0.01 0.00 0.03 0.00 0.00 46.19 45.21 1aup s LEU 92 CO 0.24 0.18 -0.20 -0.60 0.23 0.00 0.00 176.35 176.20 1aup s ARG 93 N -0.08 3.06 -0.50 1.70 3.52 0.58 -3.45 118.95 123.78 1aup s ARG 93 Ca -0.01 -0.83 -0.09 0.00 -0.13 0.00 0.00 55.73 54.67 1aup s ARG 93 Cb -0.11 -2.49 0.13 0.00 -1.56 0.00 0.00 34.95 30.92 1aup s ARG 93 CO 0.02 -0.03 0.37 -0.06 -0.81 0.00 0.00 175.30 174.79 1aup s PHE 94 N 0.87 3.44 -0.09 5.12 0.08 -0.22 -1.31 117.98 125.86 1aup s PHE 94 Ca -0.05 -1.92 -0.14 0.00 0.12 0.00 0.00 56.93 54.94 1aup s PHE 94 Cb -0.15 -3.51 0.03 0.00 -0.57 0.00 0.00 43.02 38.82 1aup s PHE 94 CO -0.03 -0.99 0.35 0.00 -0.10 0.00 0.00 175.22 174.45 1aup s ALA 95 N 1.24 -0.87 -0.70 5.36 0.00 -0.80 -4.30 121.76 121.68 1aup s ALA 95 Ca 0.07 0.75 0.10 0.00 0.00 0.00 0.00 51.96 52.88 1aup s ALA 95 Cb -0.25 -0.32 0.51 0.00 0.00 0.00 0.00 23.12 23.06 1aup s ALA 95 CO -0.01 -0.21 1.31 -0.35 0.00 0.00 0.00 175.76 176.50 1aup n PRO 96 N 2.20 0.06 0.00 0.00 -0.04 -1.24 -1.82 135.00 134.17 1aup n PRO 96 Ca -0.17 0.51 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 1aup n PRO 96 Cb 0.57 -1.68 0.16 0.00 -0.04 0.00 0.00 33.50 32.52 1aup n PRO 96 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1aup n SER 97 N -1.80 0.61 -4.74 3.54 3.41 -1.26 -4.88 113.62 108.50 1aup n SER 97 Ca 0.00 -0.39 -0.42 0.00 -0.26 0.00 0.00 58.87 57.81 1aup n SER 97 Cb 0.04 0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 64.39 1aup n SER 97 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1aup s VAL 98 N -3.01 2.21 0.10 -3.33 1.01 -0.76 -4.96 120.40 111.66 1aup s VAL 98 Ca 0.10 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 1aup s VAL 98 Cb 0.17 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.45 1aup s VAL 98 CO 0.74 0.02 0.16 -0.46 0.00 0.00 0.00 175.10 175.56 1aup n ASN 99 N 2.85 -0.47 -0.15 3.32 0.23 -1.26 -4.45 115.26 115.33 1aup n ASN 99 Ca 0.10 -1.49 -0.11 0.00 -0.53 0.00 0.00 54.58 52.55 1aup n ASN 99 Cb 0.37 0.83 -0.01 0.00 -2.08 0.00 0.00 39.78 38.89 1aup n ASN 99 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1aup h LEU 100 N 0.00 0.84 -0.49 -4.53 5.85 -1.99 -1.72 115.31 113.28 1aup h LEU 100 Ca -0.08 -0.36 0.06 0.00 0.84 0.00 0.00 57.88 58.34 1aup h LEU 100 Cb 0.33 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 1aup h LEU 100 CO 0.11 1.01 0.18 -1.28 -0.34 0.00 0.00 178.44 178.11 1aup h SER 101 N 0.67 0.19 -0.29 1.25 0.87 -1.94 0.11 113.55 114.42 1aup h SER 101 Ca 0.11 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 1aup h SER 101 Cb 0.63 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 1aup h SER 101 CO 0.04 0.14 -0.05 0.40 -0.53 0.00 0.00 176.83 176.84 1aup h ILE 102 N 0.36 1.27 -0.85 2.23 2.04 -1.89 0.02 117.51 120.69 1aup h ILE 102 Ca 0.23 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.01 1aup h ILE 102 Cb 0.23 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1aup h ILE 102 CO -0.23 0.33 0.40 0.24 0.00 0.00 0.00 178.15 178.90 1aup h MET 103 N 0.30 1.23 -0.53 2.37 2.86 -1.17 -1.60 114.93 118.39 1aup h MET 103 Ca 0.08 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1aup h MET 103 Cb 0.51 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1aup h MET 103 CO 0.02 0.95 0.26 0.87 1.06 0.00 0.00 176.91 180.08 1aup h LYS 104 N 1.22 0.76 -0.33 1.72 1.57 -0.50 0.44 116.57 121.45 1aup h LYS 104 Ca 0.29 -0.11 -0.17 0.00 -1.87 0.00 0.00 60.65 58.80 1aup h LYS 104 Cb 0.13 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1aup h LYS 104 CO -0.04 0.62 -0.45 0.27 -0.57 0.00 0.00 179.45 179.29 1aup h PHE 105 N 0.72 1.07 -0.19 -1.35 -5.15 -0.70 -0.61 116.94 110.72 1aup h PHE 105 Ca 0.18 -0.34 -0.04 0.00 -0.20 0.00 0.00 57.97 57.58 1aup h PHE 105 Cb 0.10 -0.22 -0.01 0.00 0.22 0.00 0.00 35.95 36.05 1aup h PHE 105 CO -0.01 1.16 -0.03 -0.07 -2.00 0.00 0.00 178.31 177.36 1aup h LEU 106 N 0.70 0.35 -0.95 2.10 3.38 -1.16 0.46 115.31 120.19 1aup h LEU 106 Ca 0.04 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 57.74 1aup h LEU 106 Cb 1.04 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 1aup h LEU 106 CO 0.10 0.62 0.60 1.23 0.09 0.00 0.00 178.44 181.08 1aup h GLY 107 N 0.08 1.48 0.80 0.83 0.00 -0.04 0.66 103.07 106.89 1aup h GLY 107 Ca 0.05 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 1aup h GLY 107 CO 0.02 0.25 -0.09 -2.75 0.00 0.00 0.00 176.54 173.97 1aup h PHE 108 N 1.04 0.47 -0.21 5.60 3.57 -0.83 -2.79 116.94 123.80 1aup h PHE 108 Ca 0.43 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.83 1aup h PHE 108 Cb 0.27 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1aup h PHE 108 CO -0.02 0.69 0.12 1.49 -2.23 0.00 0.00 178.31 178.37 1aup h GLU 109 N 0.10 0.24 -0.62 1.11 4.57 -0.06 -2.82 114.58 117.11 1aup h GLU 109 Ca 0.04 -0.01 0.18 0.00 -1.18 0.00 0.00 59.36 58.39 1aup h GLU 109 Cb 0.57 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 1aup h GLU 109 CO 0.03 0.16 0.52 0.37 -1.18 0.00 0.00 179.01 178.91 1aup h GLN 110 N 0.24 0.00 0.00 1.92 5.75 0.46 0.84 115.11 124.33 1aup h GLN 110 Ca 0.08 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.46 1aup h GLN 110 Cb -0.00 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1aup h GLN 110 CO -0.04 0.00 -0.63 0.00 -2.65 0.00 0.00 178.83 175.51 1aup h ALA 111 N 1.54 0.63 0.09 3.38 0.00 -1.23 -0.95 119.26 122.72 1aup h ALA 111 Ca 0.29 -0.54 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 1aup h ALA 111 Cb 1.33 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.07 1aup h ALA 111 CO -0.00 0.72 -0.59 0.74 0.00 0.00 0.00 179.25 180.12 1aup h PHE 112 N 0.00 0.34 -0.38 0.00 -1.00 -0.93 -1.90 116.94 113.07 1aup h PHE 112 Ca -0.02 -0.25 0.03 0.00 2.81 0.00 0.00 57.97 60.55 1aup h PHE 112 Cb 1.45 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 40.96 1aup h PHE 112 CO 0.00 1.23 0.17 -0.22 -1.61 0.00 0.00 178.31 177.88 1aup h LYS 113 N -0.60 0.35 -0.16 1.51 3.64 -1.25 -1.17 116.57 118.89 1aup h LYS 113 Ca -0.11 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.21 1aup h LYS 113 Cb 1.42 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 1aup h LYS 113 CO 0.08 0.23 -0.08 -0.44 -2.27 0.00 0.00 179.45 176.97 1aup h ASP 114 N 0.36 0.22 -0.02 4.20 5.19 -1.23 -1.96 116.42 123.18 1aup h ASP 114 Ca 0.17 -0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.42 1aup h ASP 114 Cb 0.10 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 1aup h ASP 114 CO -0.14 0.34 -0.38 -1.28 -3.12 0.00 0.00 179.24 174.66 1aup h SER 115 N 0.23 0.54 0.65 6.45 0.87 -0.45 -3.22 113.55 118.63 1aup h SER 115 Ca 0.05 -0.23 -0.11 0.00 -1.23 0.00 0.00 61.79 60.27 1aup h SER 115 Cb 0.30 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 1aup h SER 115 CO 0.01 0.87 -0.52 -0.07 -0.53 0.00 0.00 176.83 176.59 1aup h LEU 116 N 0.43 0.00 -0.82 2.23 4.07 -0.46 -3.23 115.31 117.54 1aup h LEU 116 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1aup h LEU 116 Cb 0.86 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.60 1aup h LEU 116 CO 0.07 0.52 0.00 0.35 -1.08 0.00 0.00 178.44 178.31 1aup n THR 117 N -3.76 1.18 -0.09 0.22 -2.24 -1.12 -4.81 114.28 103.66 1aup n THR 117 Ca -0.01 0.51 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 1aup n THR 117 Cb 0.56 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 1aup n THR 117 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1aup n THR 118 N -2.02 0.00 -2.64 4.28 -2.24 -1.22 -4.98 114.28 105.45 1aup n THR 118 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 1aup n THR 118 Cb 0.09 -0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.27 1aup n THR 118 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1aup s LEU 119 N 0.00 3.91 -1.15 3.22 1.43 -1.26 -4.96 118.68 119.87 1aup s LEU 119 Ca 0.00 1.86 -0.14 0.00 -1.03 0.00 0.00 54.13 54.82 1aup s LEU 119 Cb 0.00 -4.51 0.18 0.00 0.03 0.00 0.00 46.19 41.88 1aup s LEU 119 CO 0.00 -0.60 1.34 -2.16 0.23 0.00 0.00 176.35 175.15 1aup s PRO 120 N -3.13 4.02 -0.00 1.29 0.04 -1.26 -4.72 135.00 131.23 1aup s PRO 120 Ca 0.64 -2.54 0.00 0.00 0.04 0.00 0.00 61.00 59.15 1aup s PRO 120 Cb -0.14 -4.97 0.00 0.00 0.04 0.00 0.00 34.50 29.43 1aup s PRO 120 CO 0.18 -1.70 -0.01 -1.64 0.04 0.00 0.00 177.00 173.87 1aup s MET 121 N 1.38 0.14 0.20 4.56 1.00 -1.26 -4.19 119.30 121.13 1aup s MET 121 Ca 0.39 -0.04 -0.03 0.00 0.00 0.00 0.00 55.69 56.02 1aup s MET 121 Cb -0.04 -0.16 0.05 0.00 0.00 0.00 0.00 34.83 34.68 1aup s MET 121 CO -0.02 0.02 0.28 0.41 0.00 0.00 0.00 175.02 175.70 1aup n GLY 122 N 3.15 -0.61 3.25 -0.03 0.00 0.12 -4.36 105.19 106.71 1aup n GLY 122 Ca -0.14 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 1aup n GLY 122 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aup s GLY 123 N -3.45 1.23 0.26 -0.02 0.00 0.30 -2.32 107.32 103.32 1aup s GLY 123 Ca 0.16 -0.99 -0.08 0.00 0.00 0.00 0.00 44.72 43.81 1aup s GLY 123 CO 0.11 -0.62 0.42 0.00 0.00 0.00 0.00 173.10 173.01 1aup s ALA 124 N -0.16 0.25 -0.17 3.20 0.00 -0.76 -2.09 121.76 122.03 1aup s ALA 124 Ca -0.03 -1.18 -0.28 0.00 0.00 0.00 0.00 51.96 50.48 1aup s ALA 124 Cb -0.13 1.14 0.08 0.00 0.00 0.00 0.00 23.12 24.21 1aup s ALA 124 CO 0.03 -0.79 0.76 0.21 0.00 0.00 0.00 175.76 175.96 1aup s LYS 125 N -3.80 0.88 0.31 0.00 2.47 -0.57 -4.08 119.74 114.94 1aup s LYS 125 Ca 0.27 0.57 0.01 0.00 -1.56 0.00 0.00 55.97 55.26 1aup s LYS 125 Cb 0.01 0.42 -0.02 0.00 -1.46 0.00 0.00 37.83 36.78 1aup s LYS 125 CO 0.12 -0.20 0.33 0.20 0.16 0.00 0.00 175.35 175.96 1aup s GLY 126 N -0.44 1.75 0.00 5.54 0.00 -0.45 0.78 107.32 114.49 1aup s GLY 126 Ca -0.05 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 42.95 1aup s GLY 126 CO 0.04 -1.23 0.00 0.61 0.00 0.00 0.00 173.10 172.52 1aup n GLY 127 N -0.52 -0.85 3.52 0.20 0.00 -0.72 -0.31 105.19 106.51 1aup n GLY 127 Ca 0.04 -1.10 -0.15 0.00 0.00 0.00 0.00 46.02 44.80 1aup n GLY 127 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1aup s SER 128 N -4.00 -0.58 0.00 1.61 0.15 -0.43 -0.83 113.70 109.62 1aup s SER 128 Ca 0.00 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1aup s SER 128 Cb 0.00 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1aup s SER 128 CO 0.00 -0.61 0.67 -0.90 1.20 0.00 0.00 173.24 173.61 1aup n ASP 129 N 0.63 0.52 -4.76 5.45 5.68 -1.18 -1.91 116.55 120.98 1aup n ASP 129 Ca -0.16 -1.87 -0.39 0.00 -0.50 0.00 0.00 54.79 51.86 1aup n ASP 129 Cb 0.59 -0.26 -0.05 0.00 -1.14 0.00 0.00 41.12 40.26 1aup n ASP 129 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1aup s PHE 130 N -1.44 3.60 -0.38 2.11 5.36 -1.26 -3.59 117.98 122.37 1aup s PHE 130 Ca 0.00 1.73 -0.01 0.00 -0.96 0.00 0.00 56.93 57.70 1aup s PHE 130 Cb 0.00 -3.17 0.10 0.00 -0.34 0.00 0.00 43.02 39.61 1aup s PHE 130 CO 0.00 -0.33 0.15 0.34 -1.46 0.00 0.00 175.22 173.92 1aup s ASP 131 N -1.12 5.09 0.60 6.13 2.15 -1.26 -1.93 116.67 126.33 1aup s ASP 131 Ca 0.47 -2.04 0.30 0.00 0.43 0.00 0.00 52.55 51.70 1aup s ASP 131 Cb -0.28 -1.76 1.68 0.00 -0.30 0.00 0.00 42.92 42.25 1aup s ASP 131 CO 0.35 -0.48 2.08 1.55 -0.17 0.00 0.00 175.17 178.50 1aup h PRO 132 N 7.91 0.00 -6.80 4.34 0.14 -1.91 -3.42 132.00 132.26 1aup h PRO 132 Ca -0.10 0.00 -0.53 0.00 0.14 0.00 0.00 66.00 65.51 1aup h PRO 132 Cb 1.04 0.00 0.08 0.00 0.14 0.00 0.00 31.00 32.26 1aup h PRO 132 CO 0.64 0.00 0.90 -0.80 0.14 0.00 0.00 178.00 178.88 1aup s ASN 133 N -5.57 6.36 0.00 1.44 0.01 -1.26 -1.60 114.94 114.32 1aup s ASN 133 Ca -0.05 2.96 0.00 0.00 -0.71 0.00 0.00 52.86 55.06 1aup s ASN 133 Cb 0.15 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.17 1aup s ASN 133 CO 0.52 -0.93 0.00 0.61 -1.51 0.00 0.00 177.10 175.79 1aup n GLY 134 N 2.28 2.32 3.84 0.66 0.00 -1.26 -5.01 105.19 108.02 1aup n GLY 134 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1aup n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aup s LYS 135 N -0.17 4.04 0.79 1.61 -0.14 -0.63 -5.07 119.74 120.17 1aup s LYS 135 Ca 0.00 0.61 -0.11 0.00 -1.36 0.00 0.00 55.97 55.11 1aup s LYS 135 Cb 0.00 -2.75 0.07 0.00 -1.68 0.00 0.00 37.83 33.46 1aup s LYS 135 CO 0.00 0.35 1.09 -1.54 -0.76 0.00 0.00 175.35 174.49 1aup s SER 136 N -1.93 4.38 0.09 2.83 1.04 -1.26 -4.88 113.70 113.98 1aup s SER 136 Ca 0.45 1.64 -0.20 0.00 0.48 0.00 0.00 55.95 58.32 1aup s SER 136 Cb -0.14 -2.37 -0.09 0.00 0.10 0.00 0.00 66.02 63.52 1aup s SER 136 CO 0.20 -2.09 1.67 -0.78 0.98 0.00 0.00 173.24 173.21 1aup h ASP 137 N -1.17 0.22 -0.86 7.02 3.58 -1.98 -1.47 116.42 121.77 1aup h ASP 137 Ca -0.45 -0.12 0.17 0.00 0.42 0.00 0.00 57.03 57.04 1aup h ASP 137 Cb 1.25 -0.06 -0.10 0.00 1.72 0.00 0.00 39.33 42.14 1aup h ASP 137 CO 0.54 0.28 0.42 -0.09 -2.88 0.00 0.00 179.24 177.51 1aup h ARG 138 N 0.15 0.54 -0.02 0.28 9.65 -1.99 0.13 114.38 123.13 1aup h ARG 138 Ca 0.06 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.81 1aup h ARG 138 Cb 0.11 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 1aup h ARG 138 CO -0.01 0.36 -0.44 0.93 2.80 0.00 0.00 179.97 183.61 1aup h GLU 139 N 0.56 0.03 -0.16 0.20 5.08 -1.76 0.28 114.58 118.80 1aup h GLU 139 Ca 0.49 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.64 1aup h GLU 139 Cb 0.77 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.03 1aup h GLU 139 CO -0.41 0.47 -0.65 0.28 -1.00 0.00 0.00 179.01 177.69 1aup h VAL 140 N 0.03 1.30 0.12 3.13 2.07 0.07 -1.51 116.25 121.45 1aup h VAL 140 Ca -0.00 -1.88 0.01 0.00 0.82 0.00 0.00 66.70 65.65 1aup h VAL 140 Cb 0.79 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 1aup h VAL 140 CO 0.06 0.59 -0.20 -0.03 0.02 0.00 0.00 177.57 178.01 1aup h MET 141 N 0.43 -0.37 -0.84 1.57 -1.53 -0.32 0.49 114.93 114.36 1aup h MET 141 Ca -0.04 0.02 0.02 0.00 -3.44 0.00 0.00 59.70 56.27 1aup h MET 141 Cb 1.29 0.08 -0.05 0.00 -0.55 0.00 0.00 31.60 32.37 1aup h MET 141 CO 0.14 -0.24 0.55 0.00 0.14 0.00 0.00 176.91 177.49 1aup h ARG 142 N -0.38 1.05 -0.20 0.39 3.08 -0.93 0.14 114.38 117.53 1aup h ARG 142 Ca 0.02 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1aup h ARG 142 Cb 0.39 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1aup h ARG 142 CO -0.10 0.70 0.05 0.35 -1.07 0.00 0.00 179.97 179.90 1aup h PHE 143 N 1.08 0.34 -0.91 3.04 3.57 -0.58 -0.84 116.94 122.64 1aup h PHE 143 Ca 0.32 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.85 1aup h PHE 143 Cb -0.05 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.53 1aup h PHE 143 CO -0.02 0.43 0.58 0.00 -2.23 0.00 0.00 178.31 177.07 1aup h GLN 145 N 1.05 0.51 -0.43 0.00 4.20 -0.48 -0.81 115.11 119.15 1aup h GLN 145 Ca 0.40 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.98 1aup h GLN 145 Cb 0.18 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1aup h GLN 145 CO -0.18 0.58 0.26 0.00 -0.67 0.00 0.00 178.83 178.82 1aup h ALA 146 N 0.91 0.55 -0.52 3.87 0.00 -0.20 0.35 119.26 124.21 1aup h ALA 146 Ca 0.10 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.02 1aup h ALA 146 Cb 0.30 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1aup h ALA 146 CO 0.00 0.04 0.20 0.35 0.00 0.00 0.00 179.25 179.84 1aup h PHE 147 N 0.57 0.36 0.00 0.00 3.57 -0.47 -2.27 116.94 118.70 1aup h PHE 147 Ca 0.15 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 1aup h PHE 147 Cb -0.00 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1aup h PHE 147 CO -0.03 0.13 -0.32 1.98 -2.23 0.00 0.00 178.31 177.84 1aup h MET 148 N 0.40 0.00 -0.20 1.11 4.05 -0.79 -2.50 114.93 116.99 1aup h MET 148 Ca 0.25 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.73 1aup h MET 148 Cb 0.25 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 1aup h MET 148 CO -0.24 0.32 0.18 1.15 0.23 0.00 0.00 176.91 178.55 1aup h THR 149 N 0.00 0.63 0.00 -0.77 2.02 -0.31 -2.32 112.91 112.16 1aup h THR 149 Ca -0.00 0.00 -0.33 0.00 0.77 0.00 0.00 66.41 66.85 1aup h THR 149 Cb 1.09 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 68.31 1aup h THR 149 CO 0.04 0.00 -1.85 1.21 0.37 0.00 0.00 175.52 175.29 1aup n GLU 150 N -4.07 0.57 -0.26 6.66 4.07 -1.15 -4.60 120.64 121.87 1aup n GLU 150 Ca 0.02 0.41 0.12 0.00 -0.06 0.00 0.00 57.16 57.64 1aup n GLU 150 Cb 0.32 -1.61 0.38 0.00 -0.06 0.00 0.00 31.44 30.47 1aup n GLU 150 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1aup h LEU 151 N -1.00 0.64 -1.25 4.31 5.85 -1.35 -2.93 115.31 119.58 1aup h LEU 151 Ca -0.49 0.04 0.36 0.00 0.84 0.00 0.00 57.88 58.62 1aup h LEU 151 Cb 1.41 -0.09 -0.13 0.00 0.37 0.00 0.00 40.66 42.22 1aup h LEU 151 CO -0.30 0.33 0.71 0.10 -0.34 0.00 0.00 178.44 178.94 1aup h TYR 152 N 0.68 0.70 0.00 1.25 -0.00 -1.67 0.11 116.97 118.04 1aup h TYR 152 Ca 0.43 0.03 0.00 0.00 0.00 0.00 0.00 58.73 59.19 1aup h TYR 152 Cb 0.69 -0.18 0.00 0.00 0.00 0.00 0.00 36.73 37.23 1aup h TYR 152 CO -0.00 -0.14 0.00 0.07 -0.00 0.00 0.00 178.16 178.09 1aup h ARG 153 N 0.24 0.00 -0.01 0.10 0.11 -1.80 -3.10 114.38 109.91 1aup h ARG 153 Ca 0.74 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.82 1aup h ARG 153 Cb 2.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.09 1aup h ARG 153 CO -0.46 0.00 -0.64 0.72 0.10 0.00 0.00 179.97 179.69 1aup n HIS 154 N -2.79 0.00 -4.13 4.08 8.25 0.38 -4.98 115.22 116.04 1aup n HIS 154 Ca 0.02 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.42 1aup n HIS 154 Cb 0.31 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.40 1aup n HIS 154 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1aup n ILE 155 N -0.47 0.00 0.00 1.59 -5.35 -1.15 -4.59 119.36 109.39 1aup n ILE 155 Ca 0.08 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 1aup n ILE 155 Cb 0.43 0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 1aup n ILE 155 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1aup n GLY 156 N 3.81 4.07 0.06 3.28 0.00 -0.98 -4.73 105.19 110.70 1aup n GLY 156 Ca -0.04 -1.22 -0.02 0.00 0.00 0.00 0.00 46.02 44.74 1aup n GLY 156 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1aup n PRO 157 N -1.66 -0.06 -1.44 1.61 -0.02 -1.26 -0.75 135.00 131.41 1aup n PRO 157 Ca 0.00 0.64 -0.34 0.00 -2.02 0.00 0.00 63.50 61.78 1aup n PRO 157 Cb 0.00 -0.95 0.07 0.00 -0.02 0.00 0.00 33.50 32.60 1aup n PRO 157 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1aup n ASP 158 N -3.10 7.39 0.01 2.55 9.92 -1.26 -4.50 116.55 127.56 1aup n ASP 158 Ca 0.00 -3.79 0.00 0.00 -0.53 0.00 0.00 54.79 50.48 1aup n ASP 158 Cb 0.04 -0.91 0.00 0.00 -0.64 0.00 0.00 41.12 39.60 1aup n ASP 158 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1aup n ILE 159 N -0.88 0.05 -3.70 0.53 -0.00 0.07 -4.79 119.36 110.65 1aup n ILE 159 Ca 0.60 0.02 -0.13 0.00 -0.00 0.00 0.00 62.75 63.24 1aup n ILE 159 Cb 0.67 -0.47 -0.13 0.00 -0.00 0.00 0.00 39.64 39.71 1aup n ILE 159 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1aup s ASP 160 N -4.52 0.04 -0.23 4.38 -1.08 -0.34 -1.26 116.67 113.66 1aup s ASP 160 Ca 0.00 0.51 -0.02 0.00 -0.52 0.00 0.00 52.55 52.52 1aup s ASP 160 Cb 0.00 0.48 0.01 0.00 -1.46 0.00 0.00 42.92 41.95 1aup s ASP 160 CO 0.00 -0.20 -0.07 -0.69 0.52 0.00 0.00 175.17 174.73 1aup s VAL 161 N 1.73 2.93 0.45 1.11 1.01 -0.33 -2.31 120.40 125.00 1aup s VAL 161 Ca -0.05 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 1aup s VAL 161 Cb -0.11 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 1aup s VAL 161 CO -0.08 0.31 0.79 -2.16 0.00 0.00 0.00 175.10 173.96 1aup s PRO 162 N 1.37 3.66 0.11 2.72 0.04 -1.21 -1.39 135.00 140.29 1aup s PRO 162 Ca 0.03 0.36 0.02 0.00 0.04 0.00 0.00 61.00 61.44 1aup s PRO 162 Cb -0.15 -2.37 -0.01 0.00 0.04 0.00 0.00 34.50 32.01 1aup s PRO 162 CO -0.05 -0.14 0.10 0.00 0.04 0.00 0.00 177.00 176.94 1aup n ALA 163 N -1.82 0.19 -2.65 8.56 0.00 0.35 -2.35 120.51 122.78 1aup n ALA 163 Ca 0.02 -0.60 -0.23 0.00 0.00 0.00 0.00 53.44 52.63 1aup n ALA 163 Cb 0.54 0.49 -0.01 0.00 0.00 0.00 0.00 19.45 20.47 1aup n ALA 163 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1aup s GLY 164 N -1.73 1.37 0.00 0.00 0.00 -1.26 -2.30 107.32 103.39 1aup s GLY 164 Ca 0.12 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1aup s GLY 164 CO 0.09 -0.98 0.00 1.34 0.00 0.00 0.00 173.10 173.55 1aup n ASP 165 N -1.75 0.00 -4.69 1.64 -0.08 -1.05 -4.61 116.55 106.01 1aup n ASP 165 Ca -0.04 -0.56 -0.54 0.00 -1.51 0.00 0.00 54.79 52.14 1aup n ASP 165 Cb 0.57 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.96 1aup n ASP 165 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1aup n LEU 166 N 0.00 2.65 0.00 -2.67 7.94 -1.26 0.13 117.00 123.79 1aup n LEU 166 Ca 0.00 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.95 1aup n LEU 166 Cb 0.00 -1.21 0.00 0.00 0.53 0.00 0.00 43.42 42.74 1aup n LEU 166 CO 0.00 -0.36 0.00 0.61 -1.11 0.00 0.00 177.39 176.53 1aup n GLY 167 N 4.12 3.07 3.18 -3.96 0.00 -1.26 -1.06 105.19 109.28 1aup n GLY 167 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 1aup n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aup s VAL 168 N -1.89 4.18 0.55 1.61 1.01 0.12 -4.69 120.40 121.29 1aup s VAL 168 Ca 0.00 -2.41 0.07 0.00 0.00 0.00 0.00 61.98 59.64 1aup s VAL 168 Cb 0.00 -3.71 0.10 0.00 0.00 0.00 0.00 36.38 32.76 1aup s VAL 168 CO 0.00 -0.86 0.75 0.61 0.00 0.00 0.00 175.10 175.61 1aup n GLY 169 N 4.14 1.65 0.43 4.51 0.00 -1.26 -2.52 105.19 112.13 1aup n GLY 169 Ca 0.03 -2.17 0.24 0.00 0.00 0.00 0.00 46.02 44.12 1aup n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aup h ALA 170 N -0.02 2.67 -0.07 4.61 0.00 -1.98 -1.02 119.26 123.45 1aup h ALA 170 Ca -0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1aup h ALA 170 Cb 1.10 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1aup h ALA 170 CO 0.34 -0.88 -0.02 -0.09 0.00 0.00 0.00 179.25 178.60 1aup h ARG 171 N 0.02 0.14 0.07 0.00 2.43 -1.99 -0.43 114.38 114.62 1aup h ARG 171 Ca 0.35 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.48 1aup h ARG 171 Cb 1.38 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 1aup h ARG 171 CO -0.01 0.46 -0.08 0.93 -1.51 0.00 0.00 179.97 179.76 1aup h GLU 172 N -0.20 -0.17 -0.70 0.20 3.07 -1.57 -0.88 114.58 114.35 1aup h GLU 172 Ca 0.02 0.01 0.12 0.00 -0.50 0.00 0.00 59.36 59.01 1aup h GLU 172 Cb 0.41 0.04 -0.09 0.00 -0.84 0.00 0.00 28.75 28.28 1aup h GLU 172 CO 0.01 -0.11 0.27 0.82 -1.40 0.00 0.00 179.01 178.60 1aup h ILE 173 N -0.17 0.71 -0.83 3.13 1.08 -1.37 0.17 117.51 120.22 1aup h ILE 173 Ca 0.01 -0.15 -0.03 0.00 -0.39 0.00 0.00 64.86 64.30 1aup h ILE 173 Cb 0.17 0.23 -0.04 0.00 -3.07 0.00 0.00 36.82 34.12 1aup h ILE 173 CO -0.03 0.08 0.42 1.23 -0.69 0.00 0.00 178.15 179.15 1aup h GLY 174 N 0.44 1.26 1.07 5.37 0.00 -0.47 0.18 103.07 110.91 1aup h GLY 174 Ca 0.37 -0.61 -0.13 0.00 0.00 0.00 0.00 47.33 46.96 1aup h GLY 174 CO -0.36 0.58 -0.26 -0.97 0.00 0.00 0.00 176.54 175.53 1aup h TYR 175 N 1.16 1.04 -0.41 5.60 0.05 0.10 -2.20 116.97 122.32 1aup h TYR 175 Ca 0.29 -0.28 -0.09 0.00 0.05 0.00 0.00 58.73 58.70 1aup h TYR 175 Cb 0.09 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 1aup h TYR 175 CO 0.01 1.08 -0.10 0.52 -1.05 0.00 0.00 178.16 178.62 1aup h MET 176 N 0.71 0.79 -1.00 4.88 2.86 -0.31 -2.89 114.93 119.97 1aup h MET 176 Ca 0.08 -0.30 0.03 0.00 -2.06 0.00 0.00 59.70 57.45 1aup h MET 176 Cb 0.84 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.39 1aup h MET 176 CO 0.07 0.92 0.66 -0.92 1.06 0.00 0.00 176.91 178.69 1aup h TYR 177 N 0.61 1.23 -0.60 -0.22 3.20 -0.54 0.24 116.97 120.88 1aup h TYR 177 Ca 0.10 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 1aup h TYR 177 Cb 0.63 -0.41 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 1aup h TYR 177 CO 0.05 0.71 0.10 0.78 -1.64 0.00 0.00 178.16 178.16 1aup h GLY 178 N 1.27 1.06 1.00 1.82 0.00 -1.32 0.14 103.07 107.03 1aup h GLY 178 Ca 0.40 -0.68 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 1aup h GLY 178 CO -0.12 0.63 0.01 -1.61 0.00 0.00 0.00 176.54 175.45 1aup h GLN 179 N 0.92 0.85 -0.18 4.80 5.75 -1.12 -0.08 115.11 126.06 1aup h GLN 179 Ca 0.19 -0.27 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 1aup h GLN 179 Cb 0.41 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 1aup h GLN 179 CO 0.01 0.89 0.08 -0.92 -2.65 0.00 0.00 178.83 176.24 1aup h TYR 180 N 0.71 0.26 -0.88 3.99 5.03 -0.42 -0.13 116.97 125.52 1aup h TYR 180 Ca 0.14 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.44 1aup h TYR 180 Cb 0.50 -0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.66 1aup h TYR 180 CO 0.04 0.29 0.57 -0.09 -1.32 0.00 0.00 178.16 177.65 1aup h ARG 181 N 0.16 1.17 -0.50 1.82 2.43 -0.67 -1.20 114.38 117.60 1aup h ARG 181 Ca 0.06 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 1aup h ARG 181 Cb 0.13 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1aup h ARG 181 CO -0.01 0.79 -0.09 -0.22 -1.51 0.00 0.00 179.97 178.93 1aup h LYS 182 N 1.20 0.92 0.07 0.20 1.63 -0.56 -0.68 116.57 119.35 1aup h LYS 182 Ca 0.32 -0.32 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1aup h LYS 182 Cb -0.11 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.45 1aup h LYS 182 CO -0.07 0.97 -0.03 0.82 -3.45 0.00 0.00 179.45 177.69 1aup h ILE 183 N 0.82 0.00 0.00 2.00 2.04 -0.66 -3.36 117.51 118.36 1aup h ILE 183 Ca 0.14 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 1aup h ILE 183 Cb 0.62 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1aup h ILE 183 CO 0.04 0.00 -0.30 -0.37 0.00 0.00 0.00 178.15 177.52 1aup h VAL 184 N -0.51 1.02 0.00 1.67 -1.51 -1.38 -3.46 116.25 112.08 1aup h VAL 184 Ca -0.01 -1.12 0.00 0.00 -1.23 0.00 0.00 66.70 64.34 1aup h VAL 184 Cb 0.07 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 1aup h VAL 184 CO 0.02 0.30 0.00 0.61 -1.23 0.00 0.00 177.57 177.26 1aup n GLY 185 N -0.40 1.62 0.12 5.19 0.00 -0.26 -4.85 105.19 106.61 1aup n GLY 185 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 1aup n GLY 185 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1aup h GLY 186 N 0.00 -0.19 -5.41 -0.02 0.00 -1.83 -3.49 103.07 92.13 1aup h GLY 186 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 1aup h GLY 186 CO 0.00 -0.07 -0.77 0.33 0.00 0.00 0.00 176.54 176.03 1aup n PHE 187 N -4.90 -3.41 0.00 5.60 -0.00 -1.26 -5.03 117.46 108.46 1aup n PHE 187 Ca -0.03 1.43 0.00 0.00 -0.00 0.00 0.00 57.45 58.86 1aup n PHE 187 Cb 0.09 -3.68 0.00 0.00 -0.00 0.00 0.00 39.48 35.88 1aup n PHE 187 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74 1aup n TYR 188 N 0.16 0.00 -3.38 -5.13 9.36 -1.26 -5.02 117.16 111.89 1aup n TYR 188 Ca 0.05 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.12 1aup n TYR 188 Cb 0.32 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 38.94 1aup n TYR 188 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1aup s ASN 189 N -1.60 1.26 -0.16 2.98 3.84 -1.26 -5.06 114.94 114.95 1aup s ASN 189 Ca 0.00 -0.55 -0.04 0.00 0.21 0.00 0.00 52.86 52.48 1aup s ASN 189 Cb 0.00 0.67 0.01 0.00 -0.55 0.00 0.00 41.25 41.39 1aup s ASN 189 CO 0.00 -0.37 0.07 0.61 -2.79 0.00 0.00 177.10 174.62 1aup n GLY 190 N 5.33 -4.05 1.09 1.21 0.00 -1.26 -4.73 105.19 102.78 1aup n GLY 190 Ca -0.02 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1aup n GLY 190 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1aup n VAL 191 N 0.71 0.22 0.00 1.61 0.24 -1.26 -4.98 118.33 114.86 1aup n VAL 191 Ca -0.12 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1aup n VAL 191 Cb 0.18 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 31.90 1aup n VAL 191 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1aup n LEU 192 N 1.00 0.00 -3.74 1.34 4.32 -0.99 -3.35 117.00 115.58 1aup n LEU 192 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.69 1aup n LEU 192 Cb 0.10 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 41.75 1aup n LEU 192 CO 0.00 0.00 -0.34 0.00 -1.22 0.00 0.00 177.39 175.83 1aup s ARG 205 N -4.44 0.73 0.00 3.23 3.03 -1.26 -4.55 118.95 115.70 1aup s ARG 205 Ca 0.00 -1.01 0.00 0.00 2.03 0.00 0.00 55.73 56.75 1aup s ARG 205 Cb 0.00 -2.01 0.00 0.00 -1.03 0.00 0.00 34.95 31.91 1aup s ARG 205 CO 0.00 -0.95 0.00 -2.30 -1.13 0.00 0.00 175.30 170.92 1aup n PRO 206 N 4.86 0.00 0.00 3.89 -0.02 -1.26 -3.84 135.00 138.64 1aup n PRO 206 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1aup n PRO 206 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 1aup n PRO 206 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1aup n GLU 207 N 0.00 0.18 -0.06 -0.52 1.02 -1.26 -4.58 120.64 115.41 1aup n GLU 207 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1aup n GLU 207 Cb 0.00 -0.01 -0.12 0.00 -0.02 0.00 0.00 31.44 31.29 1aup n GLU 207 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1aup h ALA 208 N 0.00 -0.00 0.13 0.62 0.00 -1.92 0.64 119.26 118.73 1aup h ALA 208 Ca 0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1aup h ALA 208 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1aup h ALA 208 CO 0.00 -0.02 -0.12 1.15 0.00 0.00 0.00 179.25 180.26 1aup h THR 209 N -0.98 0.00 -0.85 0.00 2.02 -1.84 0.73 112.91 111.99 1aup h THR 209 Ca -0.00 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.40 1aup h THR 209 Cb 0.88 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.15 1aup h THR 209 CO 0.00 0.00 0.17 1.23 0.37 0.00 0.00 175.52 177.29 1aup h GLY 210 N -0.25 1.22 0.67 2.16 0.00 -1.81 -0.12 103.07 104.95 1aup h GLY 210 Ca -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1aup h GLY 210 CO -0.01 -0.35 -0.03 -0.97 0.00 0.00 0.00 176.54 175.18 1aup h TYR 211 N 0.17 0.17 -0.93 5.60 -1.99 0.65 -2.83 116.97 117.81 1aup h TYR 211 Ca 0.52 -0.04 0.10 0.00 2.00 0.00 0.00 58.73 61.30 1aup h TYR 211 Cb 1.02 -0.04 -0.07 0.00 2.00 0.00 0.00 36.73 39.64 1aup h TYR 211 CO -0.32 0.51 0.60 0.78 -0.00 0.00 0.00 178.16 179.73 1aup h GLY 212 N -0.22 1.39 0.86 3.88 0.00 0.16 0.14 103.07 109.27 1aup h GLY 212 Ca 0.02 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 46.97 1aup h GLY 212 CO 0.01 0.22 0.09 1.48 0.00 0.00 0.00 176.54 178.33 1aup h SER 213 N 0.95 0.11 -0.10 0.19 4.64 -0.94 0.25 113.55 118.66 1aup h SER 213 Ca 0.43 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.69 1aup h SER 213 Cb 0.39 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1aup h SER 213 CO -0.19 0.09 -0.18 0.58 -0.87 0.00 0.00 176.83 176.26 1aup h VAL 214 N 0.19 1.24 0.00 0.95 2.07 -0.99 -1.78 116.25 117.94 1aup h VAL 214 Ca 0.09 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 1aup h VAL 214 Cb 0.05 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1aup h VAL 214 CO -0.08 0.36 -0.21 1.88 0.02 0.00 0.00 177.57 179.54 1aup h TYR 215 N 0.44 0.00 0.03 1.57 0.05 0.31 -1.96 116.97 117.41 1aup h TYR 215 Ca 0.08 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.70 1aup h TYR 215 Cb 0.57 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.32 1aup h TYR 215 CO 0.02 0.21 -0.62 -0.92 -1.05 0.00 0.00 178.16 175.79 1aup h TYR 216 N 0.00 0.58 -0.97 4.88 5.03 -0.34 -3.16 116.97 122.99 1aup h TYR 216 Ca -0.00 -0.33 0.13 0.00 2.58 0.00 0.00 58.73 61.10 1aup h TYR 216 Cb 0.48 -0.06 -0.08 0.00 1.55 0.00 0.00 36.73 38.62 1aup h TYR 216 CO 0.00 1.17 0.61 0.28 -1.32 0.00 0.00 178.16 178.90 1aup h VAL 217 N -0.17 0.89 0.06 1.81 2.07 -0.79 -1.24 116.25 118.87 1aup h VAL 217 Ca -0.09 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.13 1aup h VAL 217 Cb 1.36 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1aup h VAL 217 CO 0.12 0.16 -0.09 -0.33 0.02 0.00 0.00 177.57 177.45 1aup h GLU 218 N 0.90 -0.18 -0.66 1.57 5.08 -1.38 0.42 114.58 120.34 1aup h GLU 218 Ca 0.48 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.95 1aup h GLU 218 Cb 0.56 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1aup h GLU 218 CO -0.25 -0.12 0.44 0.00 -1.00 0.00 0.00 179.01 178.08 1aup h ALA 219 N 0.74 1.95 -0.02 3.43 0.00 -1.23 0.30 119.26 124.42 1aup h ALA 219 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1aup h ALA 219 Cb 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1aup h ALA 219 CO -0.06 -0.09 -0.01 0.28 0.00 0.00 0.00 179.25 179.37 1aup h VAL 220 N 0.50 1.33 -0.07 0.00 2.07 -0.28 -0.95 116.25 118.85 1aup h VAL 220 Ca 0.30 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.86 1aup h VAL 220 Cb 0.53 1.98 -0.06 0.00 -1.52 0.00 0.00 31.29 32.22 1aup h VAL 220 CO -0.09 0.27 -0.29 0.24 0.02 0.00 0.00 177.57 177.71 1aup h MET 221 N -0.37 -0.38 -0.44 1.57 2.07 0.15 0.20 114.93 117.73 1aup h MET 221 Ca 0.00 0.03 0.05 0.00 -2.07 0.00 0.00 59.70 57.71 1aup h MET 221 Cb 0.44 0.09 -0.05 0.00 -1.87 0.00 0.00 31.60 30.21 1aup h MET 221 CO 0.00 -0.25 0.17 -0.22 1.07 0.00 0.00 176.91 177.68 1aup h LYS 222 N -0.40 0.34 -0.33 1.72 3.64 -0.50 0.68 116.57 121.71 1aup h LYS 222 Ca 0.08 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1aup h LYS 222 Cb 0.52 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1aup h LYS 222 CO -0.30 0.22 0.23 1.25 -2.27 0.00 0.00 179.45 178.58 1aup h HIS 223 N 0.35 0.27 -0.25 1.91 2.76 -0.46 0.74 115.15 120.47 1aup h HIS 223 Ca 0.20 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1aup h HIS 223 Cb 0.18 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.05 1aup h HIS 223 CO -0.14 0.15 0.00 0.39 -1.30 0.00 0.00 177.93 177.03 1aup n GLU 224 N -4.48 1.81 -3.86 5.26 -0.58 0.02 -4.89 120.64 113.91 1aup n GLU 224 Ca 0.03 -1.24 -0.29 0.00 -0.42 0.00 0.00 57.16 55.24 1aup n GLU 224 Cb 0.21 -1.36 0.03 0.00 -0.57 0.00 0.00 31.44 29.75 1aup n GLU 224 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1aup n ASN 225 N 0.47 -5.04 -4.00 1.62 3.02 0.25 -4.94 115.26 106.65 1aup n ASN 225 Ca 0.15 -0.74 -0.24 0.00 -0.03 0.00 0.00 54.58 53.72 1aup n ASN 225 Cb 0.34 -4.07 -0.05 0.00 -0.61 0.00 0.00 39.78 35.39 1aup n ASN 225 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1aup n ASP 226 N -2.87 2.98 -3.98 6.41 -0.08 0.22 -4.99 116.55 114.24 1aup n ASP 226 Ca 0.03 -2.63 -0.12 0.00 -1.51 0.00 0.00 54.79 50.56 1aup n ASP 226 Cb 0.53 0.24 -0.12 0.00 2.34 0.00 0.00 41.12 44.11 1aup n ASP 226 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1aup s THR 227 N -2.33 0.27 0.11 5.18 -1.32 -1.26 -4.30 115.64 111.99 1aup s THR 227 Ca 0.02 -0.68 0.03 0.00 -1.21 0.00 0.00 61.69 59.84 1aup s THR 227 Cb -0.00 -0.33 -0.22 0.00 -1.51 0.00 0.00 72.50 70.43 1aup s THR 227 CO 0.01 -0.27 1.25 -0.07 -2.21 0.00 0.00 174.62 173.33 1aup h LEU 228 N 5.10 0.17 -8.34 9.08 3.38 -1.96 -3.46 115.31 119.27 1aup h LEU 228 Ca -0.31 -0.17 -0.75 0.00 0.09 0.00 0.00 57.88 56.73 1aup h LEU 228 Cb 1.20 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1aup h LEU 228 CO 0.44 1.11 1.24 0.52 0.09 0.00 0.00 178.44 181.85 1aup n VAL 229 N -3.45 0.08 -2.42 1.22 0.31 -1.26 -1.99 118.33 110.81 1aup n VAL 229 Ca -0.03 -0.07 -0.04 0.00 -0.01 0.00 0.00 64.34 64.19 1aup n VAL 229 Cb 0.95 -0.86 0.02 0.00 -0.91 0.00 0.00 33.84 33.03 1aup n VAL 229 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1aup n GLY 230 N 6.60 0.43 3.50 2.92 0.00 -1.24 -4.92 105.19 112.49 1aup n GLY 230 Ca 0.46 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1aup n GLY 230 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aup s LYS 231 N -4.60 2.07 -0.19 1.61 -0.14 -0.84 -5.00 119.74 112.64 1aup s LYS 231 Ca 0.04 -1.01 -0.13 0.00 -1.36 0.00 0.00 55.97 53.51 1aup s LYS 231 Cb -0.02 -2.23 -0.05 0.00 -1.68 0.00 0.00 37.83 33.86 1aup s LYS 231 CO 0.13 0.53 0.28 0.95 -0.76 0.00 0.00 175.35 176.48 1aup s THR 232 N -1.04 5.30 -0.08 2.17 -4.23 -1.26 -2.47 115.64 114.02 1aup s THR 232 Ca 0.17 0.47 0.04 0.00 -1.18 0.00 0.00 61.69 61.20 1aup s THR 232 Cb -0.11 -3.61 -0.00 0.00 1.34 0.00 0.00 72.50 70.12 1aup s THR 232 CO 0.08 0.34 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.59 1aup s VAL 233 N 0.83 1.92 -0.33 2.29 1.01 -0.94 -0.93 120.40 124.26 1aup s VAL 233 Ca 0.14 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 1aup s VAL 233 Cb -0.13 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1aup s VAL 233 CO 0.04 0.53 0.21 0.00 0.00 0.00 0.00 175.10 175.88 1aup s ALA 234 N 0.21 3.43 0.30 5.51 0.00 0.65 -2.12 121.76 129.75 1aup s ALA 234 Ca -0.13 -1.36 0.06 0.00 0.00 0.00 0.00 51.96 50.53 1aup s ALA 234 Cb -0.16 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.38 1aup s ALA 234 CO 0.07 -0.91 0.44 -0.51 0.00 0.00 0.00 175.76 174.84 1aup s LEU 235 N 1.69 4.09 -0.04 0.00 1.43 -1.06 -0.70 118.68 124.10 1aup s LEU 235 Ca 0.06 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.13 1aup s LEU 235 Cb -0.17 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.23 1aup s LEU 235 CO 0.09 -0.31 -0.14 0.00 0.23 0.00 0.00 176.35 176.23 1aup s ALA 236 N -2.12 1.27 0.00 4.21 0.00 -1.22 -3.63 121.76 120.26 1aup s ALA 236 Ca 0.41 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1aup s ALA 236 Cb -0.09 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.59 1aup s ALA 236 CO 0.31 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.69 1aup n GLY 237 N 3.24 -0.70 0.76 0.00 0.00 -0.82 -2.54 105.19 105.12 1aup n GLY 237 Ca -0.18 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1aup n GLY 237 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1aup n PHE 238 N -0.69 0.00 -1.25 1.61 -1.74 -1.25 -3.13 117.46 111.01 1aup n PHE 238 Ca 0.00 -0.16 -0.03 0.00 -0.56 0.00 0.00 57.45 56.71 1aup n PHE 238 Cb 0.00 0.07 0.02 0.00 1.52 0.00 0.00 39.48 41.08 1aup n PHE 238 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1aup n GLY 239 N 0.10 -0.90 0.40 4.97 0.00 -1.26 -4.64 105.19 103.86 1aup n GLY 239 Ca -0.02 -1.71 0.20 0.00 0.00 0.00 0.00 46.02 44.49 1aup n GLY 239 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1aup h ASN 240 N -0.16 0.17 0.14 1.61 -0.73 -1.93 -0.92 115.58 113.76 1aup h ASN 240 Ca -0.04 0.01 -0.26 0.00 1.87 0.00 0.00 56.30 57.88 1aup h ASN 240 Cb 0.12 -0.02 0.02 0.00 0.27 0.00 0.00 38.32 38.70 1aup h ASN 240 CO 0.03 0.08 -1.07 1.62 -0.37 0.00 0.00 177.43 177.72 1aup h VAL 241 N 0.18 1.32 0.23 2.57 3.04 -1.86 -2.49 116.25 119.24 1aup h VAL 241 Ca 0.35 -2.38 -0.01 0.00 -1.01 0.00 0.00 66.70 63.66 1aup h VAL 241 Cb 1.13 2.48 0.00 0.00 -2.01 0.00 0.00 31.29 32.90 1aup h VAL 241 CO -0.06 0.72 -0.11 0.00 -1.01 0.00 0.00 177.57 177.11 1aup h ALA 242 N 0.47 -0.31 -0.84 3.17 0.00 -1.60 -3.14 119.26 117.01 1aup h ALA 242 Ca -0.13 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 54.76 1aup h ALA 242 Cb 1.73 0.12 -0.15 0.00 0.00 0.00 0.00 17.79 19.48 1aup h ALA 242 CO 0.20 -0.40 -0.10 2.35 0.00 0.00 0.00 179.25 181.30 1aup h TRP 243 N -0.86 -0.25 0.00 0.00 7.01 -1.30 0.64 115.95 121.19 1aup h TRP 243 Ca -0.03 0.07 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 1aup h TRP 243 Cb 0.51 0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 27.81 1aup h TRP 243 CO 0.06 -0.33 -0.15 0.78 -2.79 0.00 0.00 178.44 176.01 1aup h GLY 244 N 0.03 0.00 0.06 2.65 0.00 -1.52 -1.10 103.07 103.20 1aup h GLY 244 Ca 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.77 1aup h GLY 244 CO -0.81 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 175.70 1aup h ALA 245 N 1.85 -0.07 -0.76 3.60 0.00 0.20 -3.02 119.26 121.07 1aup h ALA 245 Ca -0.00 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 54.99 1aup h ALA 245 Cb 0.48 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.17 1aup h ALA 245 CO 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 179.25 179.19 1aup h ALA 246 N -0.86 0.77 0.28 0.00 0.00 -0.76 0.82 119.26 119.51 1aup h ALA 246 Ca -0.01 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1aup h ALA 246 Cb 0.20 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1aup h ALA 246 CO 0.01 -0.42 -0.41 -0.22 0.00 0.00 0.00 179.25 178.20 1aup h LYS 247 N 0.09 -0.72 -0.55 0.00 3.64 -1.31 0.56 116.57 118.28 1aup h LYS 247 Ca 0.41 0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.75 1aup h LYS 247 Cb 0.72 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 1aup h LYS 247 CO -0.67 -0.48 -0.02 -0.22 -2.27 0.00 0.00 179.45 175.78 1aup h LYS 248 N -0.75 0.97 0.49 1.90 1.63 -1.06 -0.63 116.57 119.11 1aup h LYS 248 Ca -0.01 -0.30 -0.02 0.00 -0.85 0.00 0.00 60.65 59.47 1aup h LYS 248 Cb 0.71 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1aup h LYS 248 CO -0.15 0.96 -0.25 -0.07 -3.45 0.00 0.00 179.45 176.50 1aup h LEU 249 N 0.88 -0.59 -0.97 5.20 3.38 0.89 0.17 115.31 124.27 1aup h LEU 249 Ca 0.16 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.30 1aup h LEU 249 Cb 0.54 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.36 1aup h LEU 249 CO 0.03 -0.41 0.58 0.00 0.09 0.00 0.00 178.44 178.73 1aup h ALA 250 N -0.16 1.52 0.00 1.53 0.00 0.33 0.95 119.26 123.42 1aup h ALA 250 Ca -0.06 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1aup h ALA 250 Cb 0.53 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1aup h ALA 250 CO 0.10 0.06 -0.16 1.49 0.00 0.00 0.00 179.25 180.74 1aup h GLU 251 N 0.83 0.00 -0.01 0.00 4.81 -0.74 -3.26 114.58 116.22 1aup h GLU 251 Ca 0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 1aup h GLU 251 Cb 0.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1aup h GLU 251 CO -0.33 0.16 -0.48 1.28 -0.73 0.00 0.00 179.01 178.91 1aup n LEU 252 N -3.20 1.58 0.00 1.64 4.77 0.55 -4.99 117.00 117.35 1aup n LEU 252 Ca 0.02 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 1aup n LEU 252 Cb 0.49 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1aup n LEU 252 CO 0.33 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1aup n GLY 253 N 1.41 3.77 0.67 -0.72 0.00 -0.63 -4.41 105.19 105.27 1aup n GLY 253 Ca 0.09 -0.81 -0.06 0.00 0.00 0.00 0.00 46.02 45.24 1aup n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aup n ALA 254 N 0.00 -0.79 -3.61 4.61 0.00 -1.00 -3.62 120.51 116.10 1aup n ALA 254 Ca 0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 53.44 53.00 1aup n ALA 254 Cb 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.36 1aup n ALA 254 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1aup s LYS 255 N -3.46 0.72 0.21 0.00 0.00 -1.03 -3.53 119.74 112.64 1aup s LYS 255 Ca 0.14 0.64 -0.19 0.00 0.00 0.00 0.00 55.97 56.55 1aup s LYS 255 Cb -0.02 0.35 -0.08 0.00 0.00 0.00 0.00 37.83 38.08 1aup s LYS 255 CO 0.11 -0.13 0.71 0.00 0.00 0.00 0.00 175.35 176.03 1aup s ALA 256 N -0.09 3.43 0.00 0.59 0.00 -1.26 -2.21 121.76 122.22 1aup s ALA 256 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1aup s ALA 256 Cb -0.04 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.29 1aup s ALA 256 CO -0.00 0.34 0.12 1.33 0.00 0.00 0.00 175.76 177.55 1aup n VAL 257 N 0.77 0.00 -4.05 0.00 0.24 -0.90 0.11 118.33 114.50 1aup n VAL 257 Ca -0.03 -0.32 -0.13 0.00 -2.04 0.00 0.00 64.34 61.82 1aup n VAL 257 Cb 0.51 1.13 -0.12 0.00 -1.47 0.00 0.00 33.84 33.89 1aup n VAL 257 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1aup s THR 258 N -0.40 0.36 -0.04 3.34 -4.23 -1.25 0.80 115.64 114.23 1aup s THR 258 Ca 0.00 -0.69 -0.06 0.00 -1.18 0.00 0.00 61.69 59.76 1aup s THR 258 Cb 0.00 -0.40 0.01 0.00 1.34 0.00 0.00 72.50 73.45 1aup s THR 258 CO 0.00 -0.22 0.15 -0.76 -0.54 0.00 0.00 174.62 173.25 1aup s LEU 259 N -0.97 1.47 0.23 4.79 1.43 -1.20 -2.55 118.68 121.88 1aup s LEU 259 Ca -0.07 0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 1aup s LEU 259 Cb -0.07 0.59 -0.05 0.00 0.03 0.00 0.00 46.19 46.69 1aup s LEU 259 CO -0.00 -0.18 -0.04 -0.94 0.23 0.00 0.00 176.35 175.43 1aup s SER 260 N -0.49 2.04 0.00 2.29 1.04 -1.18 -1.13 113.70 116.26 1aup s SER 260 Ca -0.06 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.20 1aup s SER 260 Cb -0.04 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.05 1aup s SER 260 CO 0.01 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1aup n GLY 261 N -0.41 4.29 0.06 7.32 0.00 0.33 -1.93 105.19 114.84 1aup n GLY 261 Ca -0.06 -1.27 0.13 0.00 0.00 0.00 0.00 46.02 44.82 1aup n GLY 261 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1aup n PRO 262 N 0.00 0.18 -0.24 1.61 -0.02 -1.26 -3.36 135.00 131.91 1aup n PRO 262 Ca 0.00 0.10 0.12 0.00 -2.02 0.00 0.00 63.50 61.70 1aup n PRO 262 Cb 0.00 -1.66 0.24 0.00 -0.02 0.00 0.00 33.50 32.06 1aup n PRO 262 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1aup n ASP 263 N -1.95 3.62 0.00 2.55 5.75 -1.26 -4.79 116.55 120.47 1aup n ASP 263 Ca 0.05 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 1aup n ASP 263 Cb 0.40 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 1aup n ASP 263 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aup n GLY 264 N 1.55 0.39 3.51 6.12 0.00 -1.21 0.35 105.19 115.89 1aup n GLY 264 Ca 0.21 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.24 1aup n GLY 264 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1aup s TYR 265 N -1.25 -0.05 0.16 1.61 1.13 -1.09 0.12 117.35 117.99 1aup s TYR 265 Ca 0.00 -0.30 0.10 0.00 -1.41 0.00 0.00 57.07 55.47 1aup s TYR 265 Cb 0.00 0.34 -0.04 0.00 -1.10 0.00 0.00 41.96 41.16 1aup s TYR 265 CO 0.00 -0.90 -0.23 0.96 -2.51 0.00 0.00 175.55 172.87 1aup s ILE 266 N -3.89 2.15 -0.19 -3.49 -5.25 -0.29 0.14 121.20 110.38 1aup s ILE 266 Ca 0.10 -1.89 -0.03 0.00 -0.99 0.00 0.00 60.65 57.84 1aup s ILE 266 Cb -0.01 -1.97 -0.01 0.00 2.95 0.00 0.00 42.46 43.42 1aup s ILE 266 CO -0.02 -0.11 -0.07 -0.47 -1.79 0.00 0.00 174.94 172.49 1aup s TYR 267 N -1.56 2.93 -0.24 1.37 5.04 -0.49 -3.20 117.35 121.20 1aup s TYR 267 Ca 0.17 -0.83 -0.01 0.00 -2.44 0.00 0.00 57.07 53.96 1aup s TYR 267 Cb -0.08 -2.03 0.07 0.00 0.35 0.00 0.00 41.96 40.27 1aup s TYR 267 CO 0.08 -0.43 0.01 0.34 -1.34 0.00 0.00 175.55 174.21 1aup s ASP 268 N 1.12 3.53 0.24 4.32 -1.08 0.24 -3.94 116.67 121.09 1aup s ASP 268 Ca 0.01 -1.15 0.15 0.00 -0.52 0.00 0.00 52.55 51.05 1aup s ASP 268 Cb -0.15 -0.90 0.02 0.00 -1.46 0.00 0.00 42.92 40.44 1aup s ASP 268 CO -0.01 -0.30 1.32 -0.65 0.52 0.00 0.00 175.17 176.05 1aup h PRO 269 N 8.09 0.00 0.00 4.34 0.11 -1.89 -3.09 132.00 139.56 1aup h PRO 269 Ca -0.16 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.93 1aup h PRO 269 Cb 1.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1aup h PRO 269 CO 0.40 0.46 -0.11 0.93 -0.21 0.00 0.00 178.00 179.47 1aup h GLU 270 N 0.00 0.00 0.00 1.05 5.08 -1.95 -3.48 114.58 115.28 1aup h GLU 270 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1aup h GLU 270 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1aup h GLU 270 CO 0.06 0.11 0.00 0.41 -1.00 0.00 0.00 179.01 178.59 1aup n GLY 271 N -1.04 1.89 2.64 -3.84 0.00 -1.17 -4.73 105.19 98.95 1aup n GLY 271 Ca -0.02 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 1aup n GLY 271 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1aup n ILE 272 N 1.79 4.75 -1.06 -0.61 5.41 0.30 -4.61 119.36 125.32 1aup n ILE 272 Ca 0.00 -4.22 0.09 0.00 1.00 0.00 0.00 62.75 59.63 1aup n ILE 272 Cb 0.00 -2.25 0.18 0.00 -0.71 0.00 0.00 39.64 36.86 1aup n ILE 272 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1aup n THR 273 N 2.62 2.02 -5.11 1.39 -2.24 -1.26 -4.39 114.28 107.31 1aup n THR 273 Ca 0.53 -2.17 -0.32 0.00 -2.27 0.00 0.00 64.05 59.82 1aup n THR 273 Cb 0.30 -0.25 -0.16 0.00 -2.10 0.00 0.00 70.33 68.12 1aup n THR 273 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1aup s THR 274 N -2.87 2.35 0.16 4.28 -4.23 -1.26 -4.97 115.64 109.10 1aup s THR 274 Ca 0.35 -0.93 0.09 0.00 -1.18 0.00 0.00 61.69 60.02 1aup s THR 274 Cb 0.30 -1.91 0.15 0.00 1.34 0.00 0.00 72.50 72.38 1aup s THR 274 CO 0.05 0.56 0.68 -0.62 -0.54 0.00 0.00 174.62 174.74 1aup n GLU 275 N 3.28 -0.03 0.03 3.99 -0.58 -1.26 0.62 120.64 126.69 1aup n GLU 275 Ca -0.18 0.59 -0.21 0.00 -0.42 0.00 0.00 57.16 56.94 1aup n GLU 275 Cb 0.53 -1.07 -0.14 0.00 -0.57 0.00 0.00 31.44 30.18 1aup n GLU 275 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1aup h GLU 276 N 0.00 0.29 -0.18 3.49 -0.00 -1.99 -3.06 114.58 113.13 1aup h GLU 276 Ca 0.37 -0.49 0.05 0.00 -0.00 0.00 0.00 59.36 59.29 1aup h GLU 276 Cb 0.99 0.18 -0.06 0.00 -0.00 0.00 0.00 28.75 29.86 1aup h GLU 276 CO -0.32 1.23 -0.22 0.87 -0.00 0.00 0.00 179.01 180.57 1aup h LYS 277 N -0.26 -0.25 -0.26 1.06 1.57 -0.22 -2.69 116.57 115.53 1aup h LYS 277 Ca -0.27 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1aup h LYS 277 Cb 1.79 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 34.14 1aup h LYS 277 CO 0.10 -0.16 0.14 0.82 -0.57 0.00 0.00 179.45 179.78 1aup h ILE 278 N -0.26 1.12 0.00 1.86 2.04 -1.56 -1.93 117.51 118.78 1aup h ILE 278 Ca 0.12 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1aup h ILE 278 Cb 0.43 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1aup h ILE 278 CO -0.33 0.12 0.20 0.78 0.00 0.00 0.00 178.15 178.92 1aup h ASN 279 N 0.31 0.00 0.51 1.72 2.35 -1.39 0.61 115.58 119.68 1aup h ASN 279 Ca 0.09 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.72 1aup h ASN 279 Cb 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1aup h ASN 279 CO -0.01 0.00 -0.56 0.22 -1.65 0.00 0.00 177.43 175.43 1aup h TYR 280 N 0.00 0.06 -0.89 1.19 3.20 -1.02 -2.21 116.97 117.30 1aup h TYR 280 Ca 0.00 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 61.97 1aup h TYR 280 Cb 0.40 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.59 1aup h TYR 280 CO 0.00 0.60 0.57 0.52 -1.64 0.00 0.00 178.16 178.21 1aup h MET 281 N 0.04 0.77 -0.43 1.82 2.86 0.15 0.30 114.93 120.44 1aup h MET 281 Ca -0.00 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 1aup h MET 281 Cb 1.00 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1aup h MET 281 CO 0.08 0.51 -0.05 -0.07 1.06 0.00 0.00 176.91 178.44 1aup h LEU 282 N 0.79 0.78 -0.46 1.22 3.38 -1.43 -2.44 115.31 117.15 1aup h LEU 282 Ca 0.43 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1aup h LEU 282 Cb 0.55 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1aup h LEU 282 CO -0.19 0.93 0.15 -0.08 0.09 0.00 0.00 178.44 179.34 1aup h GLU 283 N 0.62 0.71 -0.58 1.13 4.22 -0.37 -1.24 114.58 119.07 1aup h GLU 283 Ca 0.12 -0.15 -0.10 0.00 0.08 0.00 0.00 59.36 59.31 1aup h GLU 283 Cb 0.56 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1aup h GLU 283 CO 0.03 0.67 -0.03 0.52 -2.18 0.00 0.00 179.01 178.02 1aup h MET 284 N 0.60 1.04 -0.19 1.92 2.86 -0.54 -1.07 114.93 119.55 1aup h MET 284 Ca 0.15 -0.34 -0.16 0.00 -2.06 0.00 0.00 59.70 57.29 1aup h MET 284 Cb 0.25 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1aup h MET 284 CO -0.01 1.04 -0.53 -0.09 1.06 0.00 0.00 176.91 178.38 1aup h ARG 285 N 0.95 0.56 -0.00 1.72 9.65 -1.37 -2.83 114.38 123.05 1aup h ARG 285 Ca 0.16 -0.34 0.00 0.00 -1.10 0.00 0.00 59.98 58.70 1aup h ARG 285 Cb 0.59 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.20 1aup h ARG 285 CO 0.04 0.95 -0.05 0.00 2.80 0.00 0.00 179.97 183.70 1aup n ALA 286 N -2.52 2.65 1.28 2.80 0.00 -0.47 -3.29 120.51 120.96 1aup n ALA 286 Ca -0.03 -0.22 0.13 0.00 0.00 0.00 0.00 53.44 53.32 1aup n ALA 286 Cb 0.59 -1.41 0.36 0.00 0.00 0.00 0.00 19.45 18.99 1aup n ALA 286 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1aup n SER 287 N -1.05 1.50 0.00 0.00 3.41 -0.42 -4.94 113.62 112.13 1aup n SER 287 Ca 0.16 -1.28 0.00 0.00 -0.26 0.00 0.00 58.87 57.48 1aup n SER 287 Cb 0.24 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1aup n SER 287 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aup n GLY 288 N 1.29 0.00 0.23 5.00 0.00 -1.21 -4.72 105.19 105.79 1aup n GLY 288 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1aup n GLY 288 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1aup h ARG 289 N 0.00 0.00 -6.58 1.61 3.08 -1.89 -3.48 114.38 107.13 1aup h ARG 289 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 1aup h ARG 289 Cb 0.31 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.39 1aup h ARG 289 CO 0.00 0.16 -0.96 0.09 -1.07 0.00 0.00 179.97 178.19 1aup n ASN 290 N -3.27 -4.82 -3.58 7.04 5.03 -1.26 -4.97 115.26 109.43 1aup n ASN 290 Ca 0.01 -1.12 -0.13 0.00 0.87 0.00 0.00 54.58 54.20 1aup n ASN 290 Cb 0.43 -2.49 -0.12 0.00 -1.02 0.00 0.00 39.78 36.58 1aup n ASN 290 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1aup s LYS 291 N -6.49 0.20 0.25 3.52 1.02 -1.26 -4.63 119.74 112.35 1aup s LYS 291 Ca 0.43 0.63 -0.04 0.00 0.02 0.00 0.00 55.97 57.02 1aup s LYS 291 Cb -0.20 -0.32 0.30 0.00 -0.52 0.00 0.00 37.83 37.09 1aup s LYS 291 CO 0.91 -0.42 1.77 -0.24 -0.92 0.00 0.00 175.35 176.46 1aup h VAL 292 N 6.27 1.24 -0.32 3.17 3.04 -1.89 -3.12 116.25 124.64 1aup h VAL 292 Ca -0.16 -0.92 0.09 0.00 -1.01 0.00 0.00 66.70 64.70 1aup h VAL 292 Cb 1.13 0.69 -0.01 0.00 -2.01 0.00 0.00 31.29 31.08 1aup h VAL 292 CO 0.18 0.34 0.33 0.06 -1.01 0.00 0.00 177.57 177.48 1aup h GLN 293 N 0.87 0.00 -1.03 4.17 3.07 -1.94 0.19 115.11 120.44 1aup h GLN 293 Ca 0.18 0.00 0.28 0.00 0.09 0.00 0.00 58.65 59.20 1aup h GLN 293 Cb 0.37 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.87 1aup h GLN 293 CO 0.01 0.00 0.71 -0.44 0.09 0.00 0.00 178.83 179.20 1aup h ASP 294 N 0.00 0.18 -0.11 0.06 5.19 -1.97 3.38 116.42 123.16 1aup h ASP 294 Ca 0.15 0.03 -0.10 0.00 -0.62 0.00 0.00 57.03 56.49 1aup h ASP 294 Cb 0.81 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.32 1aup h ASP 294 CO -0.00 0.04 -0.34 0.22 -3.12 0.00 0.00 179.24 176.04 1aup h TYR 295 N 0.17 0.55 -0.57 4.55 3.20 -0.85 -0.41 116.97 123.61 1aup h TYR 295 Ca 0.52 -0.22 0.06 0.00 3.14 0.00 0.00 58.73 62.23 1aup h TYR 295 Cb 1.75 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.90 1aup h TYR 295 CO -0.00 0.95 0.38 0.00 -1.64 0.00 0.00 178.16 177.85 1aup h ALA 296 N 0.49 1.83 -0.22 1.82 0.00 0.55 -0.31 119.26 123.42 1aup h ALA 296 Ca -0.01 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1aup h ALA 296 Cb 0.96 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1aup h ALA 296 CO 0.07 0.08 -0.30 -0.44 0.00 0.00 0.00 179.25 178.66 1aup h ASP 297 N 0.55 0.64 0.26 0.00 3.32 0.23 -2.60 116.42 118.81 1aup h ASP 297 Ca 0.24 -0.51 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 1aup h ASP 297 Cb 0.27 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1aup h ASP 297 CO -0.07 1.02 -0.13 0.50 -1.72 0.00 0.00 179.24 178.84 1aup h LYS 298 N 0.27 -0.34 -0.85 3.56 1.63 0.57 -3.30 116.57 118.11 1aup h LYS 298 Ca 0.02 0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.70 1aup h LYS 298 Cb 0.87 0.08 -0.09 0.00 -0.60 0.00 0.00 32.23 32.49 1aup h LYS 298 CO 0.07 -0.23 0.19 1.19 -3.45 0.00 0.00 179.45 177.23 1aup n PHE 299 N -2.96 1.66 -4.00 1.91 3.72 -0.47 -4.95 117.46 112.36 1aup n PHE 299 Ca -0.04 -0.88 -0.43 0.00 -0.05 0.00 0.00 57.45 56.05 1aup n PHE 299 Cb 0.14 -0.52 0.02 0.00 -0.94 0.00 0.00 39.48 38.18 1aup n PHE 299 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aup n GLY 300 N -0.03 -0.84 2.99 1.37 0.00 -1.08 -4.99 105.19 102.61 1aup n GLY 300 Ca 0.28 0.35 -0.26 0.00 0.00 0.00 0.00 46.02 46.39 1aup n GLY 300 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1aup n VAL 301 N -4.85 0.00 -3.19 1.61 0.24 -1.00 -5.06 118.33 106.08 1aup n VAL 301 Ca -0.12 -1.94 -0.39 0.00 -2.04 0.00 0.00 64.34 59.85 1aup n VAL 301 Cb 0.57 0.34 -0.06 0.00 -1.47 0.00 0.00 33.84 33.23 1aup n VAL 301 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1aup s GLN 302 N -3.53 4.35 -0.06 7.34 -0.21 -1.25 -4.80 119.66 121.49 1aup s GLN 302 Ca 0.03 0.62 0.05 0.00 0.02 0.00 0.00 55.36 56.08 1aup s GLN 302 Cb -0.00 -3.47 -0.01 0.00 1.00 0.00 0.00 33.01 30.53 1aup s GLN 302 CO 0.02 0.05 -0.23 0.12 -2.12 0.00 0.00 175.29 173.13 1aup s PHE 303 N 0.92 2.50 -0.53 0.91 5.36 -1.26 -1.40 117.98 124.48 1aup s PHE 303 Ca 0.30 -0.63 -0.09 0.00 -0.96 0.00 0.00 56.93 55.55 1aup s PHE 303 Cb -0.16 -1.62 0.14 0.00 -0.34 0.00 0.00 43.02 41.03 1aup s PHE 303 CO 0.13 -0.16 0.40 -0.06 -1.46 0.00 0.00 175.22 174.07 1aup s PHE 304 N -0.21 3.46 -0.25 10.12 0.40 0.36 -4.96 117.98 126.90 1aup s PHE 304 Ca -0.02 -2.00 -0.34 0.00 -0.60 0.00 0.00 56.93 53.97 1aup s PHE 304 Cb -0.13 -3.50 -0.11 0.00 0.51 0.00 0.00 43.02 39.79 1aup s PHE 304 CO 0.03 -0.97 2.07 -0.35 0.70 0.00 0.00 175.22 176.70 1aup n PRO 305 N 4.62 1.51 -3.08 0.24 -0.04 -1.26 -2.45 135.00 134.54 1aup n PRO 305 Ca -0.04 0.47 -0.13 0.00 -0.04 0.00 0.00 63.50 63.77 1aup n PRO 305 Cb 0.41 -2.60 0.05 0.00 -0.04 0.00 0.00 33.50 31.32 1aup n PRO 305 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1aup n GLY 306 N 5.65 0.07 3.23 0.55 0.00 0.15 -4.87 105.19 109.97 1aup n GLY 306 Ca 0.33 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 1aup n GLY 306 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aup s GLU 307 N -5.58 1.00 -0.17 1.61 2.02 -1.03 -4.87 118.70 111.68 1aup s GLU 307 Ca 0.28 -1.31 -0.07 0.00 0.02 0.00 0.00 54.97 53.89 1aup s GLU 307 Cb -0.12 -0.71 -0.04 0.00 0.10 0.00 0.00 34.13 33.36 1aup s GLU 307 CO 0.42 0.11 0.04 0.15 0.02 0.00 0.00 175.26 176.00 1aup s LYS 308 N -3.14 3.90 0.00 1.61 1.02 -1.26 -3.41 119.74 118.46 1aup s LYS 308 Ca 0.11 -0.38 0.01 0.00 0.02 0.00 0.00 55.97 55.73 1aup s LYS 308 Cb -0.01 -3.14 0.06 0.00 -0.52 0.00 0.00 37.83 34.21 1aup s LYS 308 CO 0.01 0.28 0.39 -0.35 -0.92 0.00 0.00 175.35 174.76 1aup n PRO 309 N 3.50 0.05 0.00 -1.68 -0.04 -1.26 -3.91 135.00 131.65 1aup n PRO 309 Ca -0.17 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.34 1aup n PRO 309 Cb 0.52 -1.32 0.30 0.00 -0.04 0.00 0.00 33.50 32.97 1aup n PRO 309 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1aup n TRP 310 N -0.82 0.00 1.01 0.54 5.03 -1.26 -2.82 117.44 119.12 1aup n TRP 310 Ca 0.01 0.00 0.11 0.00 3.03 0.00 0.00 57.50 60.64 1aup n TRP 310 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 31.31 30.26 1aup n TRP 310 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1aup n GLY 311 N 0.51 -0.55 3.79 6.99 0.00 -1.25 -3.96 105.19 110.71 1aup n GLY 311 Ca 0.08 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 1aup n GLY 311 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1aup s GLN 312 N -2.75 3.90 -0.15 1.61 2.00 -1.13 -5.01 119.66 118.13 1aup s GLN 312 Ca 0.13 1.47 -0.28 0.00 -2.00 0.00 0.00 55.36 54.69 1aup s GLN 312 Cb 0.17 -2.27 -0.01 0.00 0.80 0.00 0.00 33.01 31.70 1aup s GLN 312 CO 0.72 -0.37 0.93 0.21 -0.50 0.00 0.00 175.29 176.28 1aup s LYS 313 N -2.93 4.34 0.06 1.67 2.20 -1.26 -5.01 119.74 118.81 1aup s LYS 313 Ca 0.64 1.22 -0.18 0.00 -0.36 0.00 0.00 55.97 57.29 1aup s LYS 313 Cb -0.20 -3.57 0.04 0.00 -1.51 0.00 0.00 37.83 32.59 1aup s LYS 313 CO 0.24 -0.36 0.42 0.14 -0.36 0.00 0.00 175.35 175.42 1aup s VAL 314 N 2.24 0.06 0.07 4.02 -7.23 -1.26 -5.02 120.40 113.27 1aup s VAL 314 Ca 0.43 -0.47 -0.15 0.00 -1.81 0.00 0.00 61.98 59.98 1aup s VAL 314 Cb -0.17 -1.00 -0.18 0.00 0.56 0.00 0.00 36.38 35.58 1aup s VAL 314 CO 0.14 -0.26 1.24 0.44 -0.31 0.00 0.00 175.10 176.35 1aup h ASP 315 N 2.85 0.79 -4.16 4.85 3.32 -1.53 -3.42 116.42 119.13 1aup h ASP 315 Ca -0.32 -0.66 -0.45 0.00 0.02 0.00 0.00 57.03 55.62 1aup h ASP 315 Cb 1.22 -0.23 -0.29 0.00 0.22 0.00 0.00 39.33 40.25 1aup h ASP 315 CO 0.44 1.33 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.86 1aup s ILE 316 N -3.61 0.97 -0.20 0.35 1.01 -0.10 -3.35 121.20 116.26 1aup s ILE 316 Ca -0.11 -0.55 -0.07 0.00 0.00 0.00 0.00 60.65 59.91 1aup s ILE 316 Cb 0.07 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 1aup s ILE 316 CO 0.87 0.25 0.07 -0.63 0.00 0.00 0.00 174.94 175.50 1aup s ILE 317 N -0.33 4.67 -0.40 2.92 -1.09 0.62 -0.25 121.20 127.34 1aup s ILE 317 Ca 0.04 -0.07 0.03 0.00 -2.23 0.00 0.00 60.65 58.42 1aup s ILE 317 Cb -0.05 -3.13 0.16 0.00 -1.58 0.00 0.00 42.46 37.86 1aup s ILE 317 CO -0.00 0.42 0.30 -0.04 -1.23 0.00 0.00 174.94 174.38 1aup s MET 318 N 0.74 0.86 -0.39 2.79 -1.94 0.12 0.17 119.30 121.66 1aup s MET 318 Ca 0.04 -1.88 -0.29 0.00 -1.71 0.00 0.00 55.69 51.85 1aup s MET 318 Cb -0.13 -1.51 -0.00 0.00 2.01 0.00 0.00 34.83 35.20 1aup s MET 318 CO 0.02 -1.31 1.57 -2.14 -0.01 0.00 0.00 175.02 173.15 1aup s PRO 319 N 0.36 3.45 -0.24 2.03 0.02 -1.23 -3.43 135.00 135.96 1aup s PRO 319 Ca 0.27 1.10 0.10 0.00 0.02 0.00 0.00 61.00 62.49 1aup s PRO 319 Cb -0.07 -4.11 0.44 0.00 0.02 0.00 0.00 34.50 30.78 1aup s PRO 319 CO -0.11 -1.72 1.26 0.00 -0.33 0.00 0.00 177.00 176.09 1aup n ALA 321 N -1.05 1.29 -2.37 0.00 0.00 -1.07 -4.47 120.51 112.83 1aup n ALA 321 Ca 0.25 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.50 1aup n ALA 321 Cb 0.78 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.14 1aup n ALA 321 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1aup s THR 322 N 0.00 0.48 0.52 0.00 -4.23 -1.26 -4.97 115.64 106.18 1aup s THR 322 Ca 0.00 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.33 1aup s THR 322 Cb 0.00 -2.54 -0.07 0.00 1.34 0.00 0.00 72.50 71.23 1aup s THR 322 CO 0.00 0.00 1.03 -1.10 -0.54 0.00 0.00 174.62 174.01 1aup s GLN 323 N -3.85 3.69 -0.83 3.99 1.11 -1.25 -3.44 119.66 119.09 1aup s GLN 323 Ca 0.34 1.22 0.00 0.00 0.01 0.00 0.00 55.36 56.93 1aup s GLN 323 Cb 0.05 -2.09 0.00 0.00 -1.01 0.00 0.00 33.01 29.97 1aup s GLN 323 CO 0.16 -0.51 0.00 0.09 0.01 0.00 0.00 175.29 175.05 1aup n ASN 324 N -1.42 -3.10 0.29 5.90 5.03 0.91 -4.76 115.26 118.11 1aup n ASN 324 Ca 0.08 0.26 0.15 0.00 0.87 0.00 0.00 54.58 55.95 1aup n ASN 324 Cb 0.53 -2.71 0.87 0.00 -1.02 0.00 0.00 39.78 37.44 1aup n ASN 324 CO 0.00 0.00 0.00 -0.78 -1.83 0.00 0.00 177.26 174.65 1aup h ASP 325 N 0.00 0.00 -3.59 6.41 1.82 -0.17 -3.37 116.42 117.52 1aup h ASP 325 Ca -0.22 0.00 -0.63 0.00 -0.39 0.00 0.00 57.03 55.80 1aup h ASP 325 Cb 1.08 0.00 -0.39 0.00 0.68 0.00 0.00 39.33 40.71 1aup h ASP 325 CO 0.26 0.05 -0.76 -0.69 -1.61 0.00 0.00 179.24 176.49 1aup s VAL 326 N -4.38 1.71 0.00 2.25 1.01 0.67 -4.95 120.40 116.71 1aup s VAL 326 Ca -0.04 -1.64 0.00 0.00 0.00 0.00 0.00 61.98 60.30 1aup s VAL 326 Cb 0.14 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1aup s VAL 326 CO 0.55 -0.34 0.00 -0.90 0.00 0.00 0.00 175.10 174.40 1aup n ASP 327 N 4.55 0.00 -0.04 3.32 5.68 -1.26 0.27 116.55 129.06 1aup n ASP 327 Ca -0.06 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.12 1aup n ASP 327 Cb 0.43 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.31 1aup n ASP 327 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1aup h LEU 328 N 0.00 -0.03 -0.45 -2.12 6.46 -1.91 -3.04 115.31 114.22 1aup h LEU 328 Ca 0.00 -0.70 0.09 0.00 -0.12 0.00 0.00 57.88 57.15 1aup h LEU 328 Cb 0.00 0.01 -0.10 0.00 -0.73 0.00 0.00 40.66 39.84 1aup h LEU 328 CO 0.00 0.78 -0.25 -0.08 -0.62 0.00 0.00 178.44 178.27 1aup h GLU 329 N -0.93 -0.15 -0.88 1.25 4.81 -2.00 0.13 114.58 116.80 1aup h GLU 329 Ca -0.00 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.32 1aup h GLU 329 Cb 0.73 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.08 1aup h GLU 329 CO 0.00 -0.10 0.57 0.37 -0.73 0.00 0.00 179.01 179.12 1aup h GLN 330 N -0.16 0.89 0.00 1.92 5.75 -1.95 -0.16 115.11 121.41 1aup h GLN 330 Ca 0.21 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.62 1aup h GLN 330 Cb 0.49 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 1aup h GLN 330 CO -0.54 0.59 -0.17 0.00 -2.65 0.00 0.00 178.83 176.06 1aup h ALA 331 N 1.55 1.18 -0.01 3.38 0.00 -0.68 -2.54 119.26 122.14 1aup h ALA 331 Ca 0.40 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.98 1aup h ALA 331 Cb 0.34 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1aup h ALA 331 CO -0.16 0.21 -0.78 0.87 0.00 0.00 0.00 179.25 179.38 1aup h LYS 332 N 0.00 0.11 0.00 0.00 1.57 0.26 -1.89 116.57 116.61 1aup h LYS 332 Ca -0.00 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1aup h LYS 332 Cb 0.50 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1aup h LYS 332 CO 0.02 0.83 0.00 0.87 -0.57 0.00 0.00 179.45 180.61 1aup h LYS 333 N 0.06 0.00 0.00 3.15 1.57 -1.23 -2.70 116.57 117.43 1aup h LYS 333 Ca -0.02 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1aup h LYS 333 Cb 1.38 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 1aup h LYS 333 CO 0.11 0.00 -0.54 0.82 -0.57 0.00 0.00 179.45 179.27 1aup h ILE 334 N 0.00 0.55 0.00 1.86 2.04 -1.21 -3.22 117.51 117.53 1aup h ILE 334 Ca 0.00 -1.56 -0.00 0.00 1.00 0.00 0.00 64.86 64.30 1aup h ILE 334 Cb 0.71 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1aup h ILE 334 CO 0.00 0.19 -0.02 -0.37 0.00 0.00 0.00 178.15 177.94 1aup h VAL 335 N -1.00 0.86 0.00 1.67 -1.51 -1.47 0.26 116.25 115.06 1aup h VAL 335 Ca -0.10 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1aup h VAL 335 Cb 0.71 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1aup h VAL 335 CO -0.06 0.02 0.00 0.00 -1.23 0.00 0.00 177.57 176.30 1aup n ALA 336 N -2.46 2.43 -0.17 5.19 0.00 -1.02 -1.29 120.51 123.19 1aup n ALA 336 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1aup n ALA 336 Cb 0.11 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1aup n ALA 336 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1aup n ASN 337 N -0.70 1.38 -3.92 0.00 5.03 0.88 -5.01 115.26 112.93 1aup n ASN 337 Ca 0.08 -1.56 -0.26 0.00 0.87 0.00 0.00 54.58 53.71 1aup n ASN 337 Cb 0.04 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 38.79 1aup n ASN 337 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1aup n ASN 338 N -0.28 -0.93 -4.70 6.41 3.02 -0.41 -4.81 115.26 113.56 1aup n ASN 338 Ca 0.00 -1.01 -0.41 0.00 -0.03 0.00 0.00 54.58 53.13 1aup n ASN 338 Cb 0.21 -3.09 -0.04 0.00 -0.61 0.00 0.00 39.78 36.26 1aup n ASN 338 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1aup s VAL 339 N -3.89 4.95 -0.53 2.41 1.01 -1.22 -4.94 120.40 118.19 1aup s VAL 339 Ca 0.06 1.67 0.24 0.00 0.00 0.00 0.00 61.98 63.95 1aup s VAL 339 Cb -0.02 -4.15 0.10 0.00 0.00 0.00 0.00 36.38 32.31 1aup s VAL 339 CO 0.89 0.16 1.34 0.50 0.00 0.00 0.00 175.10 177.99 1aup h LYS 340 N 6.93 0.00 -4.29 2.72 3.64 -1.85 -3.43 116.57 120.29 1aup h LYS 340 Ca -0.38 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.39 1aup h LYS 340 Cb 1.18 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 32.61 1aup h LYS 340 CO 0.78 0.00 -0.76 0.71 -2.27 0.00 0.00 179.45 177.90 1aup s TYR 341 N -3.21 2.62 -0.32 1.91 2.02 -1.21 0.08 117.35 119.23 1aup s TYR 341 Ca 0.05 -2.07 -0.08 0.00 -0.37 0.00 0.00 57.07 54.60 1aup s TYR 341 Cb 0.11 -1.95 0.01 0.00 -0.40 0.00 0.00 41.96 39.74 1aup s TYR 341 CO 0.72 -0.84 0.12 -0.47 -1.57 0.00 0.00 175.55 173.51 1aup s TYR 342 N 1.31 3.19 -0.30 2.71 5.04 -0.81 -0.28 117.35 128.21 1aup s TYR 342 Ca 0.01 -0.98 0.03 0.00 -2.44 0.00 0.00 57.07 53.70 1aup s TYR 342 Cb -0.19 -2.31 0.08 0.00 0.35 0.00 0.00 41.96 39.90 1aup s TYR 342 CO -0.10 -0.59 -0.01 0.42 -1.34 0.00 0.00 175.55 173.92 1aup s ILE 343 N 1.51 2.07 0.16 3.14 -1.09 0.13 -2.41 121.20 124.71 1aup s ILE 343 Ca 0.02 -1.94 -0.31 0.00 -2.23 0.00 0.00 60.65 56.19 1aup s ILE 343 Cb -0.18 -2.40 -0.09 0.00 -1.58 0.00 0.00 42.46 38.22 1aup s ILE 343 CO 0.04 -0.37 1.40 -1.61 -1.23 0.00 0.00 174.94 173.17 1aup s GLU 344 N 1.06 4.31 0.00 2.79 2.02 -1.07 -3.57 118.70 124.25 1aup s GLU 344 Ca 0.03 2.14 0.00 0.00 0.02 0.00 0.00 54.97 57.16 1aup s GLU 344 Cb -0.19 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 30.83 1aup s GLU 344 CO -0.08 -0.42 0.00 0.28 0.02 0.00 0.00 175.26 175.06 1aup n VAL 345 N 3.45 0.00 -2.89 2.63 0.31 -1.18 -3.54 118.33 117.11 1aup n VAL 345 Ca 0.10 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.13 1aup n VAL 345 Cb 0.42 -0.53 -0.03 0.00 -0.91 0.00 0.00 33.84 32.78 1aup n VAL 345 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1aup s ALA 346 N -1.75 3.35 0.26 3.52 0.00 -0.70 -4.52 121.76 121.93 1aup s ALA 346 Ca 0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.48 1aup s ALA 346 Cb 0.00 -2.71 -0.11 0.00 0.00 0.00 0.00 23.12 20.31 1aup s ALA 346 CO 0.00 0.03 1.51 -0.80 0.00 0.00 0.00 175.76 176.50 1aup s ASN 347 N -3.06 6.54 -0.22 0.00 -0.87 -1.26 -3.85 114.94 112.22 1aup s ASN 347 Ca 0.51 2.78 -0.11 0.00 -1.57 0.00 0.00 52.86 54.48 1aup s ASN 347 Cb -0.10 -2.63 0.02 0.00 -0.02 0.00 0.00 41.25 38.52 1aup s ASN 347 CO 0.30 -0.79 0.25 0.23 -2.57 0.00 0.00 177.10 174.51 1aup n MET 348 N 2.35 -0.70 -0.19 -0.60 2.81 -1.26 -4.14 117.12 115.39 1aup n MET 348 Ca 0.08 0.47 0.11 0.00 -1.81 0.00 0.00 57.70 56.54 1aup n MET 348 Cb 0.39 -0.79 0.27 0.00 -0.71 0.00 0.00 33.22 32.37 1aup n MET 348 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1aup n PRO 349 N -0.46 2.26 -4.21 0.03 -0.02 -1.25 -0.06 135.00 131.28 1aup n PRO 349 Ca -0.06 -1.91 -0.18 0.00 -2.02 0.00 0.00 63.50 59.32 1aup n PRO 349 Cb 0.27 -1.46 -0.15 0.00 -0.02 0.00 0.00 33.50 32.13 1aup n PRO 349 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1aup s THR 350 N -1.49 0.53 0.53 3.45 2.01 -1.26 0.24 115.64 119.65 1aup s THR 350 Ca 0.37 -0.21 -0.21 0.00 0.31 0.00 0.00 61.69 61.94 1aup s THR 350 Cb 0.20 -0.50 -0.05 0.00 0.01 0.00 0.00 72.50 72.17 1aup s THR 350 CO 0.28 0.18 1.24 0.42 -0.69 0.00 0.00 174.62 176.06 1aup s THR 351 N 0.31 2.62 0.58 -0.82 -4.23 0.14 -4.59 115.64 109.65 1aup s THR 351 Ca -0.04 0.44 0.28 0.00 -1.18 0.00 0.00 61.69 61.19 1aup s THR 351 Cb -0.08 -3.21 0.36 0.00 1.34 0.00 0.00 72.50 70.91 1aup s THR 351 CO -0.00 -0.03 2.11 0.78 -0.54 0.00 0.00 174.62 176.94 1aup h ASN 352 N 1.49 0.00 0.18 3.99 4.21 -1.95 -0.67 115.58 122.84 1aup h ASN 352 Ca -0.50 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.00 1aup h ASN 352 Cb 1.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.48 1aup h ASN 352 CO 0.58 0.00 -0.09 -0.08 -1.29 0.00 0.00 177.43 176.55 1aup h GLU 353 N 0.00 -0.24 -0.38 0.81 4.81 -1.94 -2.79 114.58 114.85 1aup h GLU 353 Ca 0.09 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 1aup h GLU 353 Cb 0.46 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 1aup h GLU 353 CO -0.00 0.17 -0.39 0.00 -0.73 0.00 0.00 179.01 178.06 1aup h ALA 354 N -0.32 -0.57 -0.21 2.92 0.00 -1.36 -1.48 119.26 118.24 1aup h ALA 354 Ca -0.03 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1aup h ALA 354 Cb 0.52 1.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.30 1aup h ALA 354 CO 0.04 -0.78 -0.50 1.25 0.00 0.00 0.00 179.25 179.26 1aup h LEU 355 N -0.20 -1.60 -0.80 0.00 5.85 -1.43 -0.26 115.31 116.86 1aup h LEU 355 Ca 0.06 0.20 0.17 0.00 0.84 0.00 0.00 57.88 59.16 1aup h LEU 355 Cb 0.38 0.65 -0.15 0.00 0.37 0.00 0.00 40.66 41.90 1aup h LEU 355 CO -0.47 -0.45 -0.16 0.03 -0.34 0.00 0.00 178.44 177.05 1aup h ARG 356 N -0.50 0.01 -0.17 1.25 3.08 -1.16 1.08 114.38 117.97 1aup h ARG 356 Ca 0.06 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.14 1aup h ARG 356 Cb 0.65 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.64 1aup h ARG 356 CO -0.47 0.01 -0.38 0.35 -1.07 0.00 0.00 179.97 178.41 1aup h PHE 357 N 0.01 -1.15 0.12 3.04 3.57 -0.04 0.41 116.94 122.90 1aup h PHE 357 Ca 0.40 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.96 1aup h PHE 357 Cb 0.63 0.53 -0.05 0.00 2.79 0.00 0.00 35.95 39.85 1aup h PHE 357 CO -0.60 -0.36 -0.46 -0.07 -2.23 0.00 0.00 178.31 174.59 1aup h LEU 358 N -0.35 -1.37 -1.78 0.59 3.38 0.61 0.79 115.31 117.18 1aup h LEU 358 Ca 0.03 0.15 0.46 0.00 0.09 0.00 0.00 57.88 58.61 1aup h LEU 358 Cb 0.45 0.51 -0.09 0.00 0.09 0.00 0.00 40.66 41.62 1aup h LEU 358 CO -0.35 -0.52 1.07 0.24 0.09 0.00 0.00 178.44 178.97 1aup h MET 359 N -0.69 0.05 -0.17 1.13 2.86 0.14 3.67 114.93 121.92 1aup h MET 359 Ca 0.01 -0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.49 1aup h MET 359 Cb 0.71 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1aup h MET 359 CO -0.26 0.03 -0.57 1.96 1.06 0.00 0.00 176.91 179.13 1aup h GLN 360 N 0.05 0.51 -6.24 1.72 4.20 0.50 -3.43 115.11 112.42 1aup h GLN 360 Ca 0.79 -0.33 -0.57 0.00 0.06 0.00 0.00 58.65 58.60 1aup h GLN 360 Cb 2.92 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 30.72 1aup h GLN 360 CO -0.15 0.94 1.24 -0.65 -0.67 0.00 0.00 178.83 179.53 1aup s GLN 361 N -3.95 3.61 0.53 1.46 -1.52 1.22 -4.93 119.66 116.08 1aup s GLN 361 Ca -0.07 1.78 0.18 0.00 -1.95 0.00 0.00 55.36 55.31 1aup s GLN 361 Cb 0.11 -4.15 1.35 0.00 -0.22 0.00 0.00 33.01 30.11 1aup s GLN 361 CO 0.84 -1.53 2.16 -1.00 -0.25 0.00 0.00 175.29 175.50 1aup h PRO 362 N 11.98 0.00 0.00 2.91 0.14 -1.84 -3.08 132.00 142.11 1aup h PRO 362 Ca -0.37 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.77 1aup h PRO 362 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.32 1aup h PRO 362 CO 0.99 0.00 -1.06 0.09 0.14 0.00 0.00 178.00 178.17 1aup n ASN 363 N -4.43 0.73 -4.89 1.44 5.03 -1.26 -4.95 115.26 106.92 1aup n ASN 363 Ca -0.02 0.21 -0.29 0.00 0.87 0.00 0.00 54.58 55.34 1aup n ASN 363 Cb 0.11 0.60 -0.03 0.00 -1.02 0.00 0.00 39.78 39.44 1aup n ASN 363 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1aup s MET 364 N -3.34 3.70 -0.16 3.52 0.23 -1.16 -4.83 119.30 117.25 1aup s MET 364 Ca 0.00 0.18 -0.05 0.00 -1.03 0.00 0.00 55.69 54.79 1aup s MET 364 Cb 0.11 -2.57 -0.03 0.00 -1.53 0.00 0.00 34.83 30.81 1aup s MET 364 CO 0.79 0.15 -0.00 0.08 -2.03 0.00 0.00 175.02 174.01 1aup s VAL 365 N -2.14 4.20 -0.09 5.16 1.01 0.11 -4.97 120.40 123.69 1aup s VAL 365 Ca 0.47 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.24 1aup s VAL 365 Cb -0.11 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 1aup s VAL 365 CO 0.29 0.48 -0.23 -0.69 0.00 0.00 0.00 175.10 174.96 1aup s VAL 366 N 0.35 2.21 0.01 2.92 1.01 -1.26 -1.92 120.40 123.72 1aup s VAL 366 Ca -0.02 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.04 1aup s VAL 366 Cb -0.14 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1aup s VAL 366 CO 0.02 0.56 -0.18 0.00 0.00 0.00 0.00 175.10 175.50 1aup s ALA 367 N 0.12 2.57 -0.05 5.51 0.00 -1.01 -3.81 121.76 125.09 1aup s ALA 367 Ca -0.12 -1.13 -0.12 0.00 0.00 0.00 0.00 51.96 50.59 1aup s ALA 367 Cb -0.16 -0.78 -0.05 0.00 0.00 0.00 0.00 23.12 22.13 1aup s ALA 367 CO 0.06 0.56 0.31 -1.25 0.00 0.00 0.00 175.76 175.45 1aup s PRO 368 N -1.19 3.78 0.30 0.00 0.04 -1.26 -2.58 135.00 134.08 1aup s PRO 368 Ca 0.13 0.22 0.05 0.00 0.04 0.00 0.00 61.00 61.45 1aup s PRO 368 Cb -0.10 -3.22 0.74 0.00 0.04 0.00 0.00 34.50 31.96 1aup s PRO 368 CO 0.04 0.69 1.75 0.66 0.04 0.00 0.00 177.00 180.18 1aup h SER 369 N 4.91 0.67 -0.22 6.66 4.64 -1.83 -0.39 113.55 127.99 1aup h SER 369 Ca -0.52 0.11 0.07 0.00 -0.47 0.00 0.00 61.79 60.98 1aup h SER 369 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1aup h SER 369 CO 0.61 0.19 0.17 0.07 -0.87 0.00 0.00 176.83 177.01 1aup h LYS 370 N 0.66 0.00 0.00 4.77 2.10 -1.92 0.37 116.57 122.55 1aup h LYS 370 Ca 0.58 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 59.07 1aup h LYS 370 Cb 0.96 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.27 1aup h LYS 370 CO -0.42 0.00 -1.07 0.00 -2.00 0.00 0.00 179.45 175.96 1aup n ALA 371 N -2.54 0.70 -0.21 0.07 0.00 -0.60 -4.07 120.51 113.85 1aup n ALA 371 Ca 0.02 -0.52 0.02 0.00 0.00 0.00 0.00 53.44 52.96 1aup n ALA 371 Cb 0.32 -0.28 0.13 0.00 0.00 0.00 0.00 19.45 19.61 1aup n ALA 371 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1aup h VAL 372 N -1.00 0.63 -0.55 0.00 2.07 -0.74 -2.44 116.25 114.23 1aup h VAL 372 Ca -0.24 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1aup h VAL 372 Cb 1.03 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1aup h VAL 372 CO -0.14 0.05 0.00 -0.46 0.02 0.00 0.00 177.57 177.04 1aup n ASN 373 N -5.11 4.21 -0.10 0.57 2.04 0.13 -3.54 115.26 113.45 1aup n ASN 373 Ca 0.10 -2.42 0.00 0.00 -0.44 0.00 0.00 54.58 51.82 1aup n ASN 373 Cb 0.35 -0.55 0.00 0.00 -2.53 0.00 0.00 39.78 37.05 1aup n ASN 373 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1aup n ALA 374 N 0.89 1.96 -0.01 -2.53 0.00 -0.92 -3.79 120.51 116.11 1aup n ALA 374 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.53 1aup n ALA 374 Cb 0.81 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.17 1aup n ALA 374 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1aup h GLY 375 N 3.07 0.04 0.64 0.00 0.00 -1.81 -3.08 103.07 101.92 1aup h GLY 375 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 1aup h GLY 375 CO 0.00 0.03 -0.47 -1.33 0.00 0.00 0.00 176.54 174.77 1aup h GLY 376 N -0.31 -1.27 0.79 4.60 0.00 -1.77 -2.99 103.07 102.12 1aup h GLY 376 Ca 0.00 0.55 0.10 0.00 0.00 0.00 0.00 47.33 47.99 1aup h GLY 376 CO 0.00 -0.41 0.52 -0.24 0.00 0.00 0.00 176.54 176.42 1aup h VAL 377 N -1.06 0.92 -0.03 4.60 3.04 -1.85 -1.40 116.25 120.47 1aup h VAL 377 Ca -0.08 -0.24 0.01 0.00 -1.01 0.00 0.00 66.70 65.37 1aup h VAL 377 Cb 0.88 0.16 -0.02 0.00 -2.01 0.00 0.00 31.29 30.30 1aup h VAL 377 CO 0.03 0.13 -0.16 0.25 -1.01 0.00 0.00 177.57 176.82 1aup h LEU 378 N 0.70 -0.50 -0.36 3.16 5.85 -1.43 0.27 115.31 123.01 1aup h LEU 378 Ca 0.37 0.06 0.06 0.00 0.84 0.00 0.00 57.88 59.21 1aup h LEU 378 Cb 0.50 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.64 1aup h LEU 378 CO -0.15 -0.14 -0.49 0.58 -0.34 0.00 0.00 178.44 177.91 1aup h VAL 379 N -0.17 0.06 -0.70 1.05 2.07 -1.25 -0.03 116.25 117.28 1aup h VAL 379 Ca 0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1aup h VAL 379 Cb 0.20 0.06 -0.09 0.00 -1.52 0.00 0.00 31.29 29.94 1aup h VAL 379 CO -0.12 0.00 -0.43 0.58 0.02 0.00 0.00 177.57 177.62 1aup h VAL 380 N -0.39 0.00 -0.41 2.57 2.07 -0.77 4.06 116.25 123.38 1aup h VAL 380 Ca 0.10 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.74 1aup h VAL 380 Cb 0.60 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1aup h VAL 380 CO -0.56 0.00 0.71 1.23 0.02 0.00 0.00 177.57 178.97 1aup h GLY 381 N -0.02 0.00 0.47 2.17 0.00 0.13 0.63 103.07 106.46 1aup h GLY 381 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1aup h GLY 381 CO -0.67 0.00 0.00 0.69 0.00 0.00 0.00 176.54 176.56 1aup n PHE 382 N -3.20 0.00 -3.97 5.60 3.72 1.34 -5.10 117.46 115.85 1aup n PHE 382 Ca 0.08 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.18 1aup n PHE 382 Cb 0.87 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 39.25 1aup n PHE 382 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1aup s GLU 383 N -2.00 1.85 0.00 -1.08 2.12 0.22 -5.06 118.70 114.75 1aup s GLU 383 Ca 0.13 -0.86 0.00 0.00 0.36 0.00 0.00 54.97 54.60 1aup s GLU 383 Cb 0.06 -2.43 0.00 0.00 0.26 0.00 0.00 34.13 32.02 1aup s GLU 383 CO 0.10 -0.48 0.00 0.25 -0.54 0.00 0.00 175.26 174.59 1aup n THR 394 N 4.70 0.00 0.06 -1.70 -2.24 -1.26 -5.07 114.28 108.77 1aup n THR 394 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1aup n THR 394 Cb 0.46 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.63 1aup n THR 394 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aup h ALA 395 N -2.00 0.65 0.00 6.98 0.00 -2.06 -3.37 119.26 119.46 1aup h ALA 395 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1aup h ALA 395 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1aup h ALA 395 CO 0.00 0.84 -0.48 0.39 0.00 0.00 0.00 179.25 180.01 1aup n GLU 396 N -3.00 4.08 0.28 0.00 4.71 -1.26 -2.97 120.64 122.49 1aup n GLU 396 Ca -0.06 -0.01 0.15 0.00 -0.01 0.00 0.00 57.16 57.23 1aup n GLU 396 Cb 0.81 -0.86 0.83 0.00 -1.01 0.00 0.00 31.44 31.22 1aup n GLU 396 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1aup h GLU 397 N 0.00 0.00 0.00 3.49 5.08 -2.00 -1.91 114.58 119.24 1aup h GLU 397 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1aup h GLU 397 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1aup h GLU 397 CO 0.00 0.07 0.00 0.28 -1.00 0.00 0.00 179.01 178.36 1aup n VAL 398 N -3.60 0.00 0.00 3.13 0.31 -1.25 -2.69 118.33 114.24 1aup n VAL 398 Ca -0.02 0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1aup n VAL 398 Cb 0.18 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 1aup n VAL 398 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1aup n ASP 399 N 0.00 0.00 0.19 4.52 9.92 -1.16 0.19 116.55 130.22 1aup n ASP 399 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.18 1aup n ASP 399 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1aup n ASP 399 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 1aup h SER 400 N 0.00 -0.45 -0.32 -2.24 0.87 -1.46 -0.31 113.55 109.64 1aup h SER 400 Ca 0.00 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1aup h SER 400 Cb 0.00 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1aup h SER 400 CO 0.00 -0.30 0.18 0.11 -0.53 0.00 0.00 176.83 176.29 1aup h LYS 401 N -0.50 0.37 -0.35 2.24 1.57 0.23 0.14 116.57 120.28 1aup h LYS 401 Ca -0.05 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1aup h LYS 401 Cb 0.39 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.56 1aup h LYS 401 CO 0.07 0.24 -0.01 1.25 -0.57 0.00 0.00 179.45 180.43 1aup h LEU 402 N 0.38 -0.17 -0.10 2.94 5.85 -1.55 0.85 115.31 123.51 1aup h LEU 402 Ca 0.12 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.96 1aup h LEU 402 Cb 0.00 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1aup h LEU 402 CO -0.06 -0.05 -0.09 -0.74 -0.34 0.00 0.00 178.44 177.16 1aup h HIS 403 N 0.08 -0.23 0.07 1.25 2.76 -0.61 -0.60 115.15 117.87 1aup h HIS 403 Ca 0.17 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1aup h HIS 403 Cb 0.24 0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.31 1aup h HIS 403 CO -0.26 -0.14 -0.03 0.37 -1.30 0.00 0.00 177.93 176.57 1aup h GLN 404 N -0.11 -0.09 -0.77 5.26 4.15 0.91 -2.76 115.11 121.71 1aup h GLN 404 Ca 0.07 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.45 1aup h GLN 404 Cb 0.22 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 1aup h GLN 404 CO -0.17 0.15 0.29 0.28 -1.93 0.00 0.00 178.83 177.45 1aup h VAL 405 N -0.31 1.26 -0.95 2.39 2.07 0.65 -1.07 116.25 120.28 1aup h VAL 405 Ca -0.01 -0.84 0.19 0.00 0.82 0.00 0.00 66.70 66.86 1aup h VAL 405 Cb 0.27 0.37 -0.11 0.00 -1.52 0.00 0.00 31.29 30.30 1aup h VAL 405 CO 0.01 0.34 0.54 0.24 0.02 0.00 0.00 177.57 178.73 1aup h MET 406 N 1.12 0.66 0.11 1.57 2.86 -1.06 0.12 114.93 120.31 1aup h MET 406 Ca 0.25 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1aup h MET 406 Cb 0.24 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1aup h MET 406 CO -0.02 0.44 -0.05 1.15 1.06 0.00 0.00 176.91 179.49 1aup h THR 407 N 0.68 1.06 -0.66 2.22 2.02 -0.93 -1.70 112.91 115.59 1aup h THR 407 Ca 0.55 -0.71 0.08 0.00 0.77 0.00 0.00 66.41 67.11 1aup h THR 407 Cb 0.87 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 68.74 1aup h THR 407 CO -0.40 0.17 0.44 0.44 0.37 0.00 0.00 175.52 176.54 1aup h ASP 408 N -0.49 0.52 -0.28 4.18 3.32 -0.27 0.23 116.42 123.63 1aup h ASP 408 Ca -0.02 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1aup h ASP 408 Cb 0.40 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1aup h ASP 408 CO 0.03 0.32 0.11 0.40 -1.72 0.00 0.00 179.24 178.38 1aup h ILE 409 N 0.58 1.17 0.22 0.35 2.04 -0.58 0.39 117.51 121.67 1aup h ILE 409 Ca 0.30 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1aup h ILE 409 Cb 0.41 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1aup h ILE 409 CO -0.10 0.18 -0.10 -0.74 0.00 0.00 0.00 178.15 177.39 1aup h HIS 410 N 0.30 -0.27 -0.94 1.37 2.76 -0.08 -1.82 115.15 116.47 1aup h HIS 410 Ca 0.09 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1aup h HIS 410 Cb 0.17 0.09 -0.05 0.00 1.55 0.00 0.00 27.41 29.18 1aup h HIS 410 CO -0.01 -0.17 0.58 -0.44 -1.30 0.00 0.00 177.93 176.60 1aup h ASP 411 N -0.30 1.12 0.13 3.26 3.32 -0.45 -1.45 116.42 122.05 1aup h ASP 411 Ca -0.03 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1aup h ASP 411 Cb 0.23 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1aup h ASP 411 CO 0.05 0.84 -0.06 1.23 -1.72 0.00 0.00 179.24 179.58 1aup h GLY 412 N 1.29 -0.18 0.63 2.75 0.00 -0.09 0.18 103.07 107.65 1aup h GLY 412 Ca 0.34 0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.80 1aup h GLY 412 CO -0.07 -0.07 0.30 1.76 0.00 0.00 0.00 176.54 178.47 1aup h SER 413 N -0.26 0.42 0.09 0.19 0.02 -1.19 -0.46 113.55 112.36 1aup h SER 413 Ca -0.02 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1aup h SER 413 Cb 0.21 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1aup h SER 413 CO 0.03 0.27 -0.04 0.00 -1.14 0.00 0.00 176.83 175.95 1aup h ALA 414 N 1.34 -0.12 -0.98 3.77 0.00 -0.82 -1.89 119.26 120.57 1aup h ALA 414 Ca 0.28 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1aup h ALA 414 Cb 0.22 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1aup h ALA 414 CO -0.20 -0.57 0.64 0.00 0.00 0.00 0.00 179.25 179.12 1aup h ALA 415 N 0.79 1.30 0.22 0.00 0.00 -0.29 -2.54 119.26 118.76 1aup h ALA 415 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1aup h ALA 415 Cb 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1aup h ALA 415 CO 0.02 0.51 -0.11 0.00 0.00 0.00 0.00 179.25 179.68 1aup h ALA 416 N 1.41 -0.30 -0.66 0.00 0.00 -0.81 -1.06 119.26 117.83 1aup h ALA 416 Ca 0.39 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.28 1aup h ALA 416 Cb 0.02 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 1aup h ALA 416 CO -0.13 -0.55 0.21 0.00 0.00 0.00 0.00 179.25 178.78 1aup h ALA 417 N 0.19 0.86 0.36 0.00 0.00 -1.24 -1.80 119.26 117.63 1aup h ALA 417 Ca -0.03 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1aup h ALA 417 Cb 0.39 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1aup h ALA 417 CO 0.05 -0.25 -0.24 1.49 0.00 0.00 0.00 179.25 180.30 1aup h GLU 418 N 0.36 -0.55 -0.76 0.00 4.81 -1.37 -0.17 114.58 116.90 1aup h GLU 418 Ca 0.35 0.04 0.26 0.00 -0.13 0.00 0.00 59.36 59.88 1aup h GLU 418 Cb 0.51 0.12 -0.14 0.00 0.63 0.00 0.00 28.75 29.87 1aup h GLU 418 CO -0.38 -0.36 0.20 -2.13 -0.73 0.00 0.00 179.01 175.60 1aup n ARG 419 N -3.81 -0.05 -0.10 1.92 0.63 -0.41 0.46 116.66 115.30 1aup n ARG 419 Ca -0.07 1.10 0.06 0.00 -0.92 0.00 0.00 57.85 58.02 1aup n ARG 419 Cb 0.24 -1.85 0.21 0.00 0.45 0.00 0.00 32.46 31.51 1aup n ARG 419 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1aup n TYR 420 N -4.90 0.26 -2.98 -0.14 4.01 -0.72 -4.94 117.16 107.75 1aup n TYR 420 Ca 0.23 -0.13 -0.12 0.00 -0.16 0.00 0.00 57.90 57.72 1aup n TYR 420 Cb 0.77 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.86 1aup n TYR 420 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1aup n GLY 421 N 0.92 -0.27 0.05 2.72 0.00 1.65 -4.96 105.19 105.30 1aup n GLY 421 Ca 0.10 0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.18 1aup n GLY 421 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aup n LEU 422 N -3.16 0.94 0.00 0.99 4.77 -0.14 -4.99 117.00 115.41 1aup n LEU 422 Ca -0.17 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.90 1aup n LEU 422 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1aup n LEU 422 CO 0.44 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1aup n GLY 423 N 0.25 0.35 2.88 -0.72 0.00 -1.26 -4.05 105.19 102.65 1aup n GLY 423 Ca 0.01 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 1aup n GLY 423 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1aup n TYR 424 N 3.67 2.93 -3.50 1.61 9.36 -1.26 -3.51 117.16 126.45 1aup n TYR 424 Ca 0.00 -2.79 -0.42 0.00 3.32 0.00 0.00 57.90 58.01 1aup n TYR 424 Cb 0.00 -1.91 -0.06 0.00 -0.63 0.00 0.00 39.34 36.74 1aup n TYR 424 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1aup s ASN 425 N 0.75 6.02 0.50 2.98 3.84 -1.26 -4.83 114.94 122.94 1aup s ASN 425 Ca 0.39 -2.52 0.27 0.00 0.21 0.00 0.00 52.86 51.21 1aup s ASN 425 Cb 0.09 -2.06 1.28 0.00 -0.55 0.00 0.00 41.25 40.02 1aup s ASN 425 CO 0.01 -0.55 1.98 -0.07 -2.79 0.00 0.00 177.10 175.68 1aup h LEU 426 N 7.76 0.00 0.36 3.21 3.38 -1.90 -1.99 115.31 126.13 1aup h LEU 426 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1aup h LEU 426 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1aup h LEU 426 CO 0.78 0.15 -0.17 0.58 0.09 0.00 0.00 178.44 179.87 1aup h VAL 427 N 0.00 0.00 -0.23 1.22 2.07 -1.91 -2.42 116.25 114.98 1aup h VAL 427 Ca -0.00 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.27 1aup h VAL 427 Cb 0.49 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 1aup h VAL 427 CO 0.02 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 177.47 1aup h ALA 428 N -1.48 0.04 -0.75 1.67 0.00 -1.93 -2.18 119.26 114.63 1aup h ALA 428 Ca -0.05 0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.12 1aup h ALA 428 Cb 0.37 0.31 -0.12 0.00 0.00 0.00 0.00 17.79 18.35 1aup h ALA 428 CO 0.08 -0.55 0.11 0.78 0.00 0.00 0.00 179.25 179.67 1aup h GLY 429 N -0.12 0.98 0.96 0.00 0.00 -1.44 0.41 103.07 103.85 1aup h GLY 429 Ca 0.13 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1aup h GLY 429 CO -0.30 -0.25 -0.03 0.00 0.00 0.00 0.00 176.54 175.95 1aup h ALA 430 N 1.66 -0.09 -0.16 3.60 0.00 -0.88 -1.66 119.26 121.74 1aup h ALA 430 Ca 0.42 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.33 1aup h ALA 430 Cb 0.75 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1aup h ALA 430 CO -0.58 -0.53 -0.07 -0.91 0.00 0.00 0.00 179.25 177.16 1aup h ASN 431 N -0.13 -0.24 -0.90 0.00 2.35 -0.34 -1.96 115.58 114.35 1aup h ASN 431 Ca -0.01 0.06 0.06 0.00 -0.55 0.00 0.00 56.30 55.86 1aup h ASN 431 Cb 0.11 0.14 -0.06 0.00 0.05 0.00 0.00 38.32 38.55 1aup h ASN 431 CO 0.02 -0.09 0.57 0.40 -1.65 0.00 0.00 177.43 176.67 1aup h ILE 432 N -0.05 1.07 0.11 2.81 5.03 -0.13 0.05 117.51 126.41 1aup h ILE 432 Ca 0.09 -0.36 -0.01 0.00 -0.12 0.00 0.00 64.86 64.46 1aup h ILE 432 Cb 0.18 -0.07 0.00 0.00 -3.03 0.00 0.00 36.82 33.90 1aup h ILE 432 CO -0.19 0.19 -0.05 0.58 -0.68 0.00 0.00 178.15 178.00 1aup h VAL 433 N 1.05 1.08 -0.74 1.67 2.07 -1.04 -0.60 116.25 119.76 1aup h VAL 433 Ca 0.39 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1aup h VAL 433 Cb 0.14 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1aup h VAL 433 CO -0.16 0.21 0.43 1.23 0.02 0.00 0.00 177.57 179.30 1aup h GLY 434 N -0.59 1.08 0.93 2.17 0.00 -1.23 -2.69 103.07 102.75 1aup h GLY 434 Ca -0.02 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 1aup h GLY 434 CO 0.03 0.44 0.01 -2.75 0.00 0.00 0.00 176.54 174.26 1aup h PHE 435 N 1.01 0.72 -0.97 5.60 3.04 -1.01 -2.81 116.94 122.51 1aup h PHE 435 Ca 0.26 -0.12 0.10 0.00 3.98 0.00 0.00 57.97 62.19 1aup h PHE 435 Cb -0.02 -0.19 -0.08 0.00 2.56 0.00 0.00 35.95 38.23 1aup h PHE 435 CO -0.01 0.75 0.61 0.37 -2.02 0.00 0.00 178.31 178.01 1aup h GLN 436 N 0.48 0.99 -0.49 1.11 5.75 -0.91 0.77 115.11 122.82 1aup h GLN 436 Ca 0.11 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.46 1aup h GLN 436 Cb 0.46 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 1aup h GLN 436 CO 0.02 0.66 -0.06 -0.22 -2.65 0.00 0.00 178.83 176.58 1aup h LYS 437 N 1.02 0.86 0.16 1.69 3.64 -1.24 -2.95 116.57 119.74 1aup h LYS 437 Ca 0.46 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1aup h LYS 437 Cb 0.35 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1aup h LYS 437 CO -0.23 0.89 -0.08 0.82 -2.27 0.00 0.00 179.45 178.59 1aup h ILE 438 N 0.78 0.91 -0.53 2.00 2.04 -1.04 -3.10 117.51 118.58 1aup h ILE 438 Ca 0.14 -1.08 0.10 0.00 1.00 0.00 0.00 64.86 65.02 1aup h ILE 438 Cb 0.55 1.50 -0.11 0.00 -0.74 0.00 0.00 36.82 38.03 1aup h ILE 438 CO 0.03 0.22 -0.25 0.00 0.00 0.00 0.00 178.15 178.16 1aup h ALA 439 N -0.18 0.10 -0.42 1.87 0.00 -0.94 0.31 119.26 120.00 1aup h ALA 439 Ca -0.02 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.15 1aup h ALA 439 Cb 0.53 0.61 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 1aup h ALA 439 CO 0.04 -0.58 -0.13 -0.44 0.00 0.00 0.00 179.25 178.13 1aup h ASP 440 N -0.13 -0.46 0.47 0.00 3.32 -1.61 0.22 116.42 118.24 1aup h ASP 440 Ca 0.24 0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.41 1aup h ASP 440 Cb 0.50 0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 1aup h ASP 440 CO -0.60 -0.16 -0.31 0.00 -1.72 0.00 0.00 179.24 176.44 1aup h ALA 441 N 1.37 -0.76 -0.72 3.45 0.00 -1.07 -0.13 119.26 121.40 1aup h ALA 441 Ca 0.20 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1aup h ALA 441 Cb 0.34 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1aup h ALA 441 CO -0.45 -0.94 0.47 0.52 0.00 0.00 0.00 179.25 178.85 1aup h MET 442 N -0.75 0.56 -0.05 0.00 2.86 -0.48 -0.69 114.93 116.39 1aup h MET 442 Ca -0.05 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.42 1aup h MET 442 Cb 0.63 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1aup h MET 442 CO 0.04 0.37 -0.56 0.52 1.06 0.00 0.00 176.91 178.34 1aup h MET 443 N 0.58 0.15 0.03 1.72 2.07 0.01 -2.64 114.93 116.85 1aup h MET 443 Ca 0.33 -0.10 -0.22 0.00 -2.07 0.00 0.00 59.70 57.65 1aup h MET 443 Cb 0.52 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.25 1aup h MET 443 CO -0.12 0.67 -0.98 0.00 1.07 0.00 0.00 176.91 177.55 1aup h ALA 444 N 1.31 0.39 -0.00 6.32 0.00 0.25 -3.28 119.26 124.24 1aup h ALA 444 Ca -0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1aup h ALA 444 Cb 1.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1aup h ALA 444 CO 0.08 1.01 -0.17 1.04 0.00 0.00 0.00 179.25 181.22 1aup n GLN 445 N -3.55 0.30 -0.12 0.00 6.02 -0.39 -5.05 117.38 114.59 1aup n GLN 445 Ca -0.04 -0.10 0.02 0.00 -0.01 0.00 0.00 57.00 56.87 1aup n GLN 445 Cb 0.89 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.64 1aup n GLN 445 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1aup n GLY 446 N 1.40 -1.92 3.50 1.08 0.00 -1.01 -4.63 105.19 103.62 1aup n GLY 446 Ca 0.10 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 1aup n GLY 446 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aup s ILE 447 N -0.41 4.14 0.33 -0.61 -1.09 -1.26 -4.41 121.20 117.90 1aup s ILE 447 Ca 0.00 -0.49 0.00 0.00 -2.23 0.00 0.00 60.65 57.93 1aup s ILE 447 Cb 0.00 -4.86 0.00 0.00 -1.58 0.00 0.00 42.46 36.02 1aup s ILE 447 CO 0.00 -1.69 0.00 0.00 -1.23 0.00 0.00 174.94 172.02 1aup n ALA 448 N 8.22 2.43 0.91 9.38 0.00 -1.26 -5.28 120.51 134.91 1aup n ALA 448 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.67 1aup n ALA 448 Cb 0.48 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.03 1aup n ALA 448 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41