#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pww h ASN 29 N 0.00 0.00 0.00 2.89 -0.73 -2.06 -3.08 115.58 112.60 1pww h ASN 29 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1pww h ASN 29 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1pww h ASN 29 CO 0.00 0.00 0.00 0.29 -0.37 0.00 0.00 177.43 177.35 1pww n LYS 30 N -2.91 0.00 0.19 6.67 4.76 -1.26 -3.75 118.16 121.86 1pww n LYS 30 Ca 0.04 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.62 1pww n LYS 30 Cb 0.84 -0.02 0.52 0.00 -1.84 0.00 0.00 35.03 34.53 1pww n LYS 30 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1pww h THR 31 N 0.00 0.00 -0.29 -0.18 2.02 -2.03 -3.15 112.91 109.28 1pww h THR 31 Ca 0.00 -0.44 0.08 0.00 0.77 0.00 0.00 66.41 66.82 1pww h THR 31 Cb 0.00 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1pww h THR 31 CO 0.00 0.00 0.28 1.56 0.37 0.00 0.00 175.52 177.73 1pww h GLN 32 N 0.00 0.00 -0.00 6.66 4.20 -1.69 0.44 115.11 124.72 1pww h GLN 32 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pww h GLN 32 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1pww h GLN 32 CO 0.00 0.00 -0.02 0.39 -0.67 0.00 0.00 178.83 178.53 1pww n GLU 33 N -3.95 0.72 0.07 1.46 -0.58 -1.19 -1.79 120.64 115.39 1pww n GLU 33 Ca 0.04 -0.07 -0.19 0.00 -0.42 0.00 0.00 57.16 56.52 1pww n GLU 33 Cb 0.43 -1.50 -0.15 0.00 -0.57 0.00 0.00 31.44 29.66 1pww n GLU 33 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1pww h GLU 34 N 0.16 0.31 -0.15 3.49 4.57 -0.34 -2.12 114.58 120.50 1pww h GLU 34 Ca 0.00 -0.53 0.05 0.00 -1.18 0.00 0.00 59.36 57.69 1pww h GLU 34 Cb 0.20 0.20 -0.06 0.00 -0.16 0.00 0.00 28.75 28.93 1pww h GLU 34 CO 0.00 1.20 -0.20 1.25 -1.18 0.00 0.00 179.01 180.07 1pww h HIS 35 N 0.09 -0.53 0.43 0.92 2.76 -1.07 1.28 115.15 119.02 1pww h HIS 35 Ca -0.27 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 57.91 1pww h HIS 35 Cb 2.05 0.26 0.00 0.00 1.55 0.00 0.00 27.41 31.27 1pww h HIS 35 CO 0.08 -0.28 -0.21 1.25 -1.30 0.00 0.00 177.93 177.47 1pww h LEU 36 N -0.25 -0.49 -1.54 0.26 5.85 -1.60 -2.02 115.31 115.52 1pww h LEU 36 Ca 0.11 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1pww h LEU 36 Cb 0.41 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 1pww h LEU 36 CO -0.30 -0.22 0.49 0.11 -0.34 0.00 0.00 178.44 178.19 1pww h LYS 37 N -0.84 0.00 0.13 1.25 1.79 -1.25 0.68 116.57 118.33 1pww h LYS 37 Ca -0.06 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.06 1pww h LYS 37 Cb 0.44 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 1pww h LYS 37 CO 0.10 0.00 -1.88 1.49 -1.08 0.00 0.00 179.45 178.08 1pww h GLU 38 N 0.00 0.27 -0.57 3.15 4.81 0.17 -3.06 114.58 119.36 1pww h GLU 38 Ca 0.00 -0.46 -0.11 0.00 -0.13 0.00 0.00 59.36 58.67 1pww h GLU 38 Cb 0.99 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 1pww h GLU 38 CO -0.00 1.16 -0.05 0.82 -0.73 0.00 0.00 179.01 180.21 1pww h ILE 39 N 0.07 1.27 -0.19 2.32 1.08 -0.16 -2.96 117.51 118.94 1pww h ILE 39 Ca -0.38 -1.21 0.02 0.00 -0.39 0.00 0.00 64.86 62.90 1pww h ILE 39 Cb 2.05 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 36.67 1pww h ILE 39 CO 0.11 0.43 0.06 0.24 -0.69 0.00 0.00 178.15 178.31 1pww h MET 40 N 0.93 0.15 0.00 2.37 2.86 -1.28 0.13 114.93 120.09 1pww h MET 40 Ca 0.15 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1pww h MET 40 Cb 0.62 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1pww h MET 40 CO 0.04 0.10 0.26 0.87 1.06 0.00 0.00 176.91 179.24 1pww h LYS 41 N 0.15 0.00 0.00 1.72 1.57 -1.41 -0.41 116.57 118.20 1pww h LYS 41 Ca 0.08 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 1pww h LYS 41 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1pww h LYS 41 CO -0.08 0.00 -1.48 1.58 -0.57 0.00 0.00 179.45 178.90 1pww n HIS 42 N -2.23 0.00 0.55 -1.35 -0.00 -0.56 -4.79 115.22 106.84 1pww n HIS 42 Ca -0.01 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.28 1pww n HIS 42 Cb 0.29 -0.32 -0.09 0.00 -0.12 0.00 0.00 29.99 29.74 1pww n HIS 42 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 1pww n ILE 43 N -2.68 0.05 -3.45 3.57 -5.35 -0.07 -4.86 119.36 106.57 1pww n ILE 43 Ca -0.14 -0.23 -0.43 0.00 -0.27 0.00 0.00 62.75 61.68 1pww n ILE 43 Cb 0.67 0.44 -0.10 0.00 -1.74 0.00 0.00 39.64 38.91 1pww n ILE 43 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1pww s VAL 44 N -3.23 5.24 -0.44 7.28 1.01 -0.18 0.12 120.40 130.19 1pww s VAL 44 Ca 0.02 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 1pww s VAL 44 Cb 0.15 -3.92 0.08 0.00 0.00 0.00 0.00 36.38 32.69 1pww s VAL 44 CO 0.86 -0.29 0.31 -0.54 0.00 0.00 0.00 175.10 175.45 1pww s LYS 45 N 1.76 2.70 -1.35 2.72 -0.14 0.15 -4.79 119.74 120.80 1pww s LYS 45 Ca 0.06 -1.48 -0.17 0.00 -1.36 0.00 0.00 55.97 53.03 1pww s LYS 45 Cb -0.18 -3.91 0.05 0.00 -1.68 0.00 0.00 37.83 32.10 1pww s LYS 45 CO 0.11 -1.02 1.95 -0.89 -0.76 0.00 0.00 175.35 174.74 1pww n ILE 46 N 5.00 3.62 -3.02 2.17 2.08 -1.26 -0.75 119.36 127.21 1pww n ILE 46 Ca -0.11 -3.52 -0.42 0.00 0.56 0.00 0.00 62.75 59.27 1pww n ILE 46 Cb 0.43 -2.45 0.00 0.00 -0.75 0.00 0.00 39.64 36.87 1pww n ILE 46 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1pww n GLU 47 N 7.40 4.39 0.00 0.38 1.02 -0.86 -4.97 120.64 128.01 1pww n GLU 47 Ca 0.50 -4.57 0.00 0.00 -0.02 0.00 0.00 57.16 53.07 1pww n GLU 47 Cb 0.43 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.36 1pww n GLU 47 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1pww n VAL 48 N 1.22 0.00 0.00 2.62 0.24 -1.25 -4.42 118.33 116.74 1pww n VAL 48 Ca 0.27 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.57 1pww n VAL 48 Cb 0.33 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 1pww n VAL 48 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1pww n LYS 49 N 0.00 2.77 0.00 7.34 4.76 -1.26 -4.84 118.16 126.93 1pww n LYS 49 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1pww n LYS 49 Cb 0.00 -0.76 0.00 0.00 -1.84 0.00 0.00 35.03 32.43 1pww n LYS 49 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pww n GLY 50 N 1.37 1.39 2.03 0.72 0.00 -1.26 -5.04 105.19 104.40 1pww n GLY 50 Ca 0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 46.02 45.27 1pww n GLY 50 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pww n GLU 51 N -0.29 -2.38 0.00 1.61 1.02 -1.26 -4.89 120.64 114.45 1pww n GLU 51 Ca 0.00 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 1pww n GLU 51 Cb 0.00 -3.56 0.00 0.00 -0.02 0.00 0.00 31.44 27.86 1pww n GLU 51 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1pww n GLU 52 N -1.94 0.47 -0.07 3.49 1.02 -1.26 -3.24 120.64 119.11 1pww n GLU 52 Ca -0.03 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.05 1pww n GLU 52 Cb 0.53 -1.25 -0.02 0.00 -0.02 0.00 0.00 31.44 30.68 1pww n GLU 52 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pww n ALA 53 N 0.52 0.57 0.13 0.62 0.00 -1.26 -4.22 120.51 116.87 1pww n ALA 53 Ca 0.00 -0.57 0.12 0.00 0.00 0.00 0.00 53.44 52.99 1pww n ALA 53 Cb 0.18 0.02 0.03 0.00 0.00 0.00 0.00 19.45 19.68 1pww n ALA 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pww h VAL 54 N -0.80 0.00 -0.13 0.00 2.07 -1.97 -2.77 116.25 112.64 1pww h VAL 54 Ca 0.00 -1.00 -0.13 0.00 0.82 0.00 0.00 66.70 66.39 1pww h VAL 54 Cb 0.64 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1pww h VAL 54 CO 0.00 0.00 -0.50 0.11 0.02 0.00 0.00 177.57 177.20 1pww h LYS 55 N 0.00 0.35 0.10 1.57 1.57 -1.81 -0.55 116.57 117.80 1pww h LYS 55 Ca 0.00 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1pww h LYS 55 Cb 1.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1pww h LYS 55 CO 0.00 0.77 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.38 1pww h LYS 56 N 0.28 -0.14 -0.15 3.15 3.64 -1.73 -2.60 116.57 119.02 1pww h LYS 56 Ca 0.01 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1pww h LYS 56 Cb 0.98 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1pww h LYS 56 CO 0.08 -0.09 0.67 1.49 -2.27 0.00 0.00 179.45 179.34 1pww h GLU 57 N -0.91 0.00 0.00 1.90 4.57 -1.56 -0.78 114.58 117.80 1pww h GLU 57 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1pww h GLU 57 Cb 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1pww h GLU 57 CO 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.85 1pww n ALA 58 N -1.84 -0.13 -0.33 2.92 0.00 -0.22 -3.57 120.51 117.34 1pww n ALA 58 Ca 0.02 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.77 1pww n ALA 58 Cb 0.74 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.77 1pww n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pww h ALA 59 N -2.00 2.17 -0.23 0.00 0.00 -0.79 -0.43 119.26 117.97 1pww h ALA 59 Ca 0.00 0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1pww h ALA 59 Cb 0.00 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1pww h ALA 59 CO 0.00 -0.92 -0.28 0.93 0.00 0.00 0.00 179.25 178.98 1pww h GLU 60 N 0.06 -0.17 0.00 0.00 4.39 -1.29 0.86 114.58 118.43 1pww h GLU 60 Ca 0.83 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.53 1pww h GLU 60 Cb 2.18 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.86 1pww h GLU 60 CO -0.73 -0.11 -0.07 -0.22 -1.16 0.00 0.00 179.01 176.72 1pww h LYS 61 N -0.18 0.00 -0.39 2.33 3.11 -1.14 0.26 116.57 120.57 1pww h LYS 61 Ca 0.04 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.72 1pww h LYS 61 Cb 0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.51 1pww h LYS 61 CO -0.31 0.07 -0.37 1.25 -2.81 0.00 0.00 179.45 177.28 1pww h LEU 62 N 0.00 0.98 0.09 5.20 5.85 -0.66 -3.25 115.31 123.52 1pww h LEU 62 Ca -0.00 -0.44 -0.29 0.00 0.84 0.00 0.00 57.88 57.99 1pww h LEU 62 Cb 0.32 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1pww h LEU 62 CO 0.01 1.23 -1.47 -0.07 -0.34 0.00 0.00 178.44 177.80 1pww h LEU 63 N 0.76 0.29 -1.51 2.25 3.38 -0.28 -3.33 115.31 116.88 1pww h LEU 63 Ca 0.06 -0.41 0.24 0.00 0.09 0.00 0.00 57.88 57.86 1pww h LEU 63 Cb 0.96 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1pww h LEU 63 CO 0.09 1.34 0.89 -0.33 0.09 0.00 0.00 178.44 180.52 1pww h GLU 64 N 0.05 0.00 -0.01 1.13 5.08 -0.54 0.51 114.58 120.80 1pww h GLU 64 Ca -0.21 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.02 1pww h GLU 64 Cb 1.98 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.21 1pww h GLU 64 CO 0.15 0.00 -0.61 0.87 -1.00 0.00 0.00 179.01 178.42 1pww h LYS 65 N 0.00 0.04 -6.53 2.33 1.79 -1.67 -3.44 116.57 109.10 1pww h LYS 65 Ca 0.39 -0.03 -0.53 0.00 -2.18 0.00 0.00 60.65 58.30 1pww h LYS 65 Cb 2.17 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.81 1pww h LYS 65 CO -0.00 0.64 0.44 0.08 -1.08 0.00 0.00 179.45 179.52 1pww s VAL 66 N -3.66 4.34 0.33 0.50 1.01 0.18 -4.98 120.40 118.12 1pww s VAL 66 Ca -0.02 1.81 -0.27 0.00 0.00 0.00 0.00 61.98 63.51 1pww s VAL 66 Cb 0.13 -4.16 -0.13 0.00 0.00 0.00 0.00 36.38 32.22 1pww s VAL 66 CO 0.77 0.22 1.03 -2.65 0.00 0.00 0.00 175.10 174.47 1pww n PRO 67 N 3.26 1.43 -0.30 2.72 -0.02 -1.26 -4.88 135.00 135.95 1pww n PRO 67 Ca 0.05 0.50 -0.02 0.00 -2.02 0.00 0.00 63.50 62.01 1pww n PRO 67 Cb 0.48 -1.94 0.15 0.00 -0.02 0.00 0.00 33.50 32.17 1pww n PRO 67 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1pww h SER 68 N 1.92 1.04 -0.34 2.55 0.87 -1.93 -1.76 113.55 115.90 1pww h SER 68 Ca -0.42 -0.07 0.09 0.00 -1.23 0.00 0.00 61.79 60.17 1pww h SER 68 Cb 1.33 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 1pww h SER 68 CO 0.60 0.80 0.24 0.44 -0.53 0.00 0.00 176.83 178.38 1pww h ASP 69 N 1.19 0.03 0.93 6.23 3.32 -1.95 0.36 116.42 126.53 1pww h ASP 69 Ca 0.31 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.30 1pww h ASP 69 Cb -0.04 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1pww h ASP 69 CO -0.06 0.02 -0.28 0.58 -1.72 0.00 0.00 179.24 177.78 1pww h VAL 70 N 0.03 0.66 0.08 -1.35 2.07 -1.67 -0.01 116.25 116.05 1pww h VAL 70 Ca 0.16 -1.28 -0.30 0.00 0.82 0.00 0.00 66.70 66.10 1pww h VAL 70 Cb 0.60 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1pww h VAL 70 CO -0.01 0.27 -1.57 -0.07 0.02 0.00 0.00 177.57 176.22 1pww h LEU 71 N 0.00 0.25 -0.28 2.57 3.38 -0.31 -2.84 115.31 118.07 1pww h LEU 71 Ca -0.00 -0.39 -0.21 0.00 0.09 0.00 0.00 57.88 57.37 1pww h LEU 71 Cb 0.82 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1pww h LEU 71 CO 0.04 1.33 -0.82 -0.08 0.09 0.00 0.00 178.44 179.00 1pww h GLU 72 N 0.04 0.45 -0.89 1.13 4.81 -0.97 -1.72 114.58 117.43 1pww h GLU 72 Ca -0.25 -0.41 -0.02 0.00 -0.13 0.00 0.00 59.36 58.55 1pww h GLU 72 Cb 1.99 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 31.43 1pww h GLU 72 CO 0.13 1.05 0.46 0.52 -0.73 0.00 0.00 179.01 180.45 1pww h MET 73 N 0.28 1.25 -0.54 1.92 2.86 -1.11 0.10 114.93 119.70 1pww h MET 73 Ca -0.05 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 1pww h MET 73 Cb 1.43 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.82 1pww h MET 73 CO 0.14 0.93 0.25 -0.92 1.06 0.00 0.00 176.91 178.37 1pww h TYR 74 N 1.25 0.80 -0.80 -0.22 3.20 -1.29 -1.60 116.97 118.31 1pww h TYR 74 Ca 0.31 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 1pww h TYR 74 Cb 0.06 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.05 1pww h TYR 74 CO 0.01 0.63 0.45 -0.22 -1.64 0.00 0.00 178.16 177.39 1pww h LYS 75 N 0.73 1.11 -0.51 1.82 3.64 -0.72 0.47 116.57 123.11 1pww h LYS 75 Ca 0.19 -0.12 0.08 0.00 -1.27 0.00 0.00 60.65 59.52 1pww h LYS 75 Cb 0.14 -0.22 -0.06 0.00 -0.41 0.00 0.00 32.23 31.68 1pww h LYS 75 CO -0.02 0.81 0.16 0.00 -2.27 0.00 0.00 179.45 178.13 1pww h ALA 76 N 1.24 0.61 0.00 5.00 0.00 0.07 0.78 119.26 126.96 1pww h ALA 76 Ca 0.28 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1pww h ALA 76 Cb 0.01 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1pww h ALA 76 CO -0.05 -0.24 0.00 -0.89 0.00 0.00 0.00 179.25 178.07 1pww n ILE 77 N -5.04 0.69 -1.79 0.00 -0.00 -0.69 -4.86 119.36 107.67 1pww n ILE 77 Ca 0.06 0.17 0.00 0.00 -0.00 0.00 0.00 62.75 62.98 1pww n ILE 77 Cb 0.22 -0.89 0.00 0.00 -0.00 0.00 0.00 39.64 38.98 1pww n ILE 77 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1pww n GLY 78 N 0.20 0.74 3.91 7.39 0.00 0.27 -4.88 105.19 112.81 1pww n GLY 78 Ca 0.06 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 1pww n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pww s GLY 79 N -2.69 1.59 -0.03 -0.02 0.00 0.16 -4.40 107.32 101.93 1pww s GLY 79 Ca 0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 44.72 44.16 1pww s GLY 79 CO 0.00 -0.29 0.02 0.54 0.00 0.00 0.00 173.10 173.37 1pww s LYS 80 N -5.00 0.07 -0.32 2.90 -0.14 -0.50 -4.65 119.74 112.11 1pww s LYS 80 Ca 0.53 0.17 -0.04 0.00 -1.36 0.00 0.00 55.97 55.27 1pww s LYS 80 Cb -0.11 -0.36 0.04 0.00 -1.68 0.00 0.00 37.83 35.72 1pww s LYS 80 CO 0.47 -0.18 0.06 0.42 -0.76 0.00 0.00 175.35 175.35 1pww s ILE 81 N 1.19 3.43 -0.34 2.17 1.01 0.32 -0.24 121.20 128.74 1pww s ILE 81 Ca -0.08 -1.22 -0.13 0.00 0.00 0.00 0.00 60.65 59.22 1pww s ILE 81 Cb -0.13 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 1pww s ILE 81 CO -0.03 -0.13 0.24 -0.31 0.00 0.00 0.00 174.94 174.71 1pww s TYR 82 N 1.34 3.23 -0.79 3.97 4.12 0.11 0.32 117.35 129.65 1pww s TYR 82 Ca -0.03 -0.28 -0.18 0.00 0.02 0.00 0.00 57.07 56.60 1pww s TYR 82 Cb -0.19 -2.48 0.14 0.00 -1.52 0.00 0.00 41.96 37.91 1pww s TYR 82 CO 0.01 -0.39 0.91 0.42 0.02 0.00 0.00 175.55 176.52 1pww s ILE 83 N 1.71 4.95 -0.01 2.71 -1.09 0.07 -0.68 121.20 128.87 1pww s ILE 83 Ca 0.06 -1.57 0.04 0.00 -2.23 0.00 0.00 60.65 56.95 1pww s ILE 83 Cb -0.18 -4.62 -0.01 0.00 -1.58 0.00 0.00 42.46 36.08 1pww s ILE 83 CO 0.10 -1.28 -0.13 0.54 -1.23 0.00 0.00 174.94 172.94 1pww s VAL 84 N 2.14 1.03 0.16 2.92 0.11 0.19 -2.03 120.40 124.91 1pww s VAL 84 Ca 0.22 -0.56 -0.08 0.00 -2.93 0.00 0.00 61.98 58.64 1pww s VAL 84 Cb -0.12 -0.86 -0.06 0.00 -1.53 0.00 0.00 36.38 33.81 1pww s VAL 84 CO -0.04 0.29 0.44 1.51 -3.33 0.00 0.00 175.10 173.98 1pww s ASP 85 N -0.29 6.57 0.00 3.54 1.47 -1.26 -2.51 116.67 124.19 1pww s ASP 85 Ca 0.05 0.75 0.00 0.00 1.18 0.00 0.00 52.55 54.53 1pww s ASP 85 Cb -0.05 -2.16 0.00 0.00 -0.34 0.00 0.00 42.92 40.37 1pww s ASP 85 CO -0.00 0.03 0.00 0.61 0.68 0.00 0.00 175.17 176.49 1pww n GLY 86 N 0.19 -0.12 3.49 2.12 0.00 -1.26 -4.86 105.19 104.75 1pww n GLY 86 Ca -0.03 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 1pww n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pww s ASP 87 N -4.00 6.29 0.38 1.61 3.68 -1.26 -4.90 116.67 118.46 1pww s ASP 87 Ca 0.00 -1.08 0.21 0.00 2.13 0.00 0.00 52.55 53.81 1pww s ASP 87 Cb 0.00 -2.47 1.28 0.00 -1.45 0.00 0.00 42.92 40.28 1pww s ASP 87 CO 0.00 -1.49 1.62 0.16 0.13 0.00 0.00 175.17 175.59 1pww h ILE 88 N 6.07 0.14 -0.92 4.11 3.07 -1.84 0.60 117.51 128.75 1pww h ILE 88 Ca -0.15 -0.05 0.21 0.00 1.55 0.00 0.00 64.86 66.43 1pww h ILE 88 Cb 1.05 -0.01 -0.07 0.00 -0.27 0.00 0.00 36.82 37.52 1pww h ILE 88 CO 1.23 0.02 0.61 0.74 -1.05 0.00 0.00 178.15 179.70 1pww h THR 89 N 0.14 0.65 -0.75 0.16 2.02 -1.91 0.00 112.91 113.23 1pww h THR 89 Ca 0.80 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.82 1pww h THR 89 Cb 2.15 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 1pww h THR 89 CO -0.61 0.07 0.34 0.50 0.37 0.00 0.00 175.52 176.19 1pww h LYS 90 N 0.37 1.09 -6.11 6.66 3.64 -0.15 -3.32 116.57 118.74 1pww h LYS 90 Ca 0.48 -0.17 -0.61 0.00 -1.27 0.00 0.00 60.65 59.07 1pww h LYS 90 Cb 1.25 -0.19 0.16 0.00 -0.41 0.00 0.00 32.23 33.04 1pww h LYS 90 CO -0.17 0.86 -0.81 1.58 -2.27 0.00 0.00 179.45 178.64 1pww n HIS 91 N -4.37 -1.73 -0.34 1.91 -0.00 -0.02 -4.81 115.22 105.86 1pww n HIS 91 Ca 0.06 0.58 0.18 0.00 0.46 0.00 0.00 57.72 59.01 1pww n HIS 91 Cb 0.15 -1.83 0.40 0.00 -0.12 0.00 0.00 29.99 28.59 1pww n HIS 91 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 1pww h ILE 92 N 0.38 0.58 0.00 3.57 1.08 -1.87 -3.26 117.51 117.98 1pww h ILE 92 Ca -0.39 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 63.88 1pww h ILE 92 Cb 1.43 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.13 1pww h ILE 92 CO 0.47 0.11 0.00 -1.54 -0.69 0.00 0.00 178.15 176.50 1pww n SER 93 N -4.79 0.00 0.00 1.72 3.41 -1.26 -3.70 113.62 109.01 1pww n SER 93 Ca 0.26 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1pww n SER 93 Cb 0.74 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.69 1pww n SER 93 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1pww n LEU 94 N -0.21 0.00 -0.18 1.04 4.77 -1.25 -4.03 117.00 117.13 1pww n LEU 94 Ca 0.00 0.03 -0.05 0.00 -0.03 0.00 0.00 56.01 55.96 1pww n LEU 94 Cb 0.00 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1pww n LEU 94 CO 0.00 -0.03 0.32 -1.84 -1.33 0.00 0.00 177.39 174.51 1pww n GLU 95 N -0.74 -0.19 0.31 3.23 0.28 -1.23 -1.38 120.64 120.92 1pww n GLU 95 Ca 0.00 0.88 0.17 0.00 -0.16 0.00 0.00 57.16 58.05 1pww n GLU 95 Cb 0.11 -1.30 0.99 0.00 1.43 0.00 0.00 31.44 32.67 1pww n GLU 95 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1pww h ALA 96 N -0.01 1.39 -0.71 -1.84 0.00 -1.88 -3.46 119.26 112.74 1pww h ALA 96 Ca 0.07 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.40 1pww h ALA 96 Cb 0.18 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.00 1pww h ALA 96 CO -0.40 0.00 0.13 1.28 0.00 0.00 0.00 179.25 180.26 1pww n LEU 97 N -3.65 0.16 0.00 0.00 4.77 -0.48 -4.93 117.00 112.87 1pww n LEU 97 Ca -0.03 0.83 0.00 0.00 -0.03 0.00 0.00 56.01 56.78 1pww n LEU 97 Cb 0.08 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 1pww n LEU 97 CO 0.26 -1.21 0.00 -1.54 -1.33 0.00 0.00 177.39 173.56 1pww n SER 98 N 1.41 0.00 0.43 -1.43 3.41 -1.26 -4.85 113.62 111.33 1pww n SER 98 Ca 0.16 -0.95 -0.17 0.00 -0.26 0.00 0.00 58.87 57.65 1pww n SER 98 Cb 0.04 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.91 1pww n SER 98 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1pww h GLU 99 N 0.00 -1.06 -0.19 4.33 4.11 -1.98 -0.25 114.58 119.54 1pww h GLU 99 Ca 0.00 0.07 0.05 0.00 0.07 0.00 0.00 59.36 59.55 1pww h GLU 99 Cb 0.00 0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 1pww h GLU 99 CO 0.00 -0.70 -0.11 0.22 0.07 0.00 0.00 179.01 178.49 1pww h ASP 100 N -1.16 -0.36 1.40 3.06 3.58 -1.96 -2.73 116.42 118.24 1pww h ASP 100 Ca -0.11 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 1pww h ASP 100 Cb 0.84 0.19 -0.00 0.00 1.72 0.00 0.00 39.33 42.08 1pww h ASP 100 CO 0.18 -0.14 -0.03 0.50 -2.88 0.00 0.00 179.24 176.87 1pww h LYS 101 N -0.10 0.00 0.00 0.28 3.64 -1.95 -3.28 116.57 115.16 1pww h LYS 101 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1pww h LYS 101 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1pww h LYS 101 CO -0.25 0.03 -0.04 1.63 -2.27 0.00 0.00 179.45 178.55 1pww n LYS 102 N -3.12 0.12 -3.31 1.90 5.02 -0.11 -4.65 118.16 114.00 1pww n LYS 102 Ca 0.02 0.09 -0.43 0.00 -2.02 0.00 0.00 58.31 55.97 1pww n LYS 102 Cb 0.41 -1.63 -0.08 0.00 -0.02 0.00 0.00 35.03 33.71 1pww n LYS 102 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1pww s LYS 103 N -3.05 3.08 0.25 1.97 -2.85 -1.23 -3.38 119.74 114.53 1pww s LYS 103 Ca 0.12 -0.83 0.11 0.00 -1.00 0.00 0.00 55.97 54.37 1pww s LYS 103 Cb 0.16 -4.00 -0.05 0.00 -2.06 0.00 0.00 37.83 31.89 1pww s LYS 103 CO 0.57 -0.90 -0.19 -1.50 0.10 0.00 0.00 175.35 173.42 1pww s ILE 104 N 2.13 2.30 0.25 3.79 1.10 -0.97 -4.99 121.20 124.82 1pww s ILE 104 Ca 0.11 -2.30 0.07 0.00 -0.51 0.00 0.00 60.65 58.02 1pww s ILE 104 Cb -0.18 -2.21 -0.03 0.00 0.15 0.00 0.00 42.46 40.19 1pww s ILE 104 CO 0.13 -0.39 0.23 -0.54 -2.11 0.00 0.00 174.94 172.25 1pww s LYS 105 N -3.39 3.01 0.51 3.50 1.02 -1.26 -1.60 119.74 121.52 1pww s LYS 105 Ca 0.27 -1.01 0.08 0.00 0.02 0.00 0.00 55.97 55.33 1pww s LYS 105 Cb -0.05 -2.62 0.04 0.00 -0.52 0.00 0.00 37.83 34.68 1pww s LYS 105 CO 0.12 0.40 0.56 0.16 -0.92 0.00 0.00 175.35 175.67 1pww s ASP 106 N -3.87 5.06 0.65 2.83 3.84 -0.29 -4.89 116.67 119.99 1pww s ASP 106 Ca 0.33 -0.85 0.13 0.00 -0.00 0.00 0.00 52.55 52.16 1pww s ASP 106 Cb -0.08 -0.03 0.60 0.00 -1.38 0.00 0.00 42.92 42.03 1pww s ASP 106 CO 0.26 -1.03 1.30 -0.29 -0.00 0.00 0.00 175.17 175.40 1pww h ILE 107 N 0.59 0.03 -0.00 2.11 -0.00 -1.92 0.49 117.51 118.81 1pww h ILE 107 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.50 1pww h ILE 107 Cb 1.29 0.17 0.00 0.00 -0.00 0.00 0.00 36.82 38.27 1pww h ILE 107 CO 0.49 0.00 -0.74 -1.22 -0.00 0.00 0.00 178.15 176.68 1pww n TYR 108 N -2.82 0.00 0.00 2.19 4.02 -1.26 -4.97 117.16 114.32 1pww n TYR 108 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 1pww n TYR 108 Cb 0.98 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.30 1pww n TYR 108 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pww n GLY 109 N 1.37 1.17 3.76 2.72 0.00 0.17 -5.09 105.19 109.30 1pww n GLY 109 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1pww n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pww s LYS 110 N -0.39 4.35 0.81 1.61 1.02 -1.26 -4.77 119.74 121.12 1pww s LYS 110 Ca 0.00 0.82 -0.11 0.00 0.02 0.00 0.00 55.97 56.70 1pww s LYS 110 Cb 0.00 -3.34 0.08 0.00 -0.52 0.00 0.00 37.83 34.05 1pww s LYS 110 CO 0.00 0.37 1.09 -0.51 -0.92 0.00 0.00 175.35 175.39 1pww s ASP 111 N -0.25 4.20 0.00 2.83 1.01 -1.26 -1.14 116.67 122.05 1pww s ASP 111 Ca 0.33 1.73 0.00 0.00 0.71 0.00 0.00 52.55 55.32 1pww s ASP 111 Cb -0.19 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1pww s ASP 111 CO 0.19 -2.21 0.00 0.00 0.21 0.00 0.00 175.17 173.35 1pww n ALA 112 N -3.63 0.00 -3.06 5.23 0.00 -0.63 -4.85 120.51 113.58 1pww n ALA 112 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.30 1pww n ALA 112 Cb 0.54 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.83 1pww n ALA 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pww s LEU 113 N 0.00 1.80 0.55 0.00 1.43 -1.26 -2.28 118.68 118.92 1pww s LEU 113 Ca 0.00 -0.26 0.49 0.00 -1.03 0.00 0.00 54.13 53.33 1pww s LEU 113 Cb 0.00 -0.74 1.72 0.00 0.03 0.00 0.00 46.19 47.20 1pww s LEU 113 CO 0.00 0.09 1.59 -0.07 0.23 0.00 0.00 176.35 178.19 1pww h LEU 114 N 6.44 0.01 0.00 1.79 3.38 -1.89 -0.16 115.31 124.88 1pww h LEU 114 Ca -0.33 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1pww h LEU 114 Cb 1.17 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1pww h LEU 114 CO 0.48 -0.01 0.00 1.57 0.09 0.00 0.00 178.44 180.57 1pww n HIS 115 N -4.00 0.00 0.18 1.13 -0.00 -1.26 -1.74 115.22 109.54 1pww n HIS 115 Ca 0.43 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.66 1pww n HIS 115 Cb 1.94 -0.41 0.33 0.00 -0.12 0.00 0.00 29.99 31.73 1pww n HIS 115 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1pww h GLU 116 N 0.00 0.00 -7.31 1.57 3.07 -1.51 -3.45 114.58 106.95 1pww h GLU 116 Ca 0.00 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 58.36 1pww h GLU 116 Cb 0.00 0.00 0.15 0.00 -0.84 0.00 0.00 28.75 28.06 1pww h GLU 116 CO 0.00 0.40 0.27 -1.58 -1.40 0.00 0.00 179.01 176.70 1pww s HIS 117 N -3.66 2.33 -1.06 4.33 2.46 -0.48 -5.02 115.29 114.19 1pww s HIS 117 Ca -0.00 1.46 0.11 0.00 0.47 0.00 0.00 55.06 57.10 1pww s HIS 117 Cb 0.11 -3.12 0.01 0.00 -0.13 0.00 0.00 32.58 29.45 1pww s HIS 117 CO 0.69 -2.20 0.69 2.48 -2.47 0.00 0.00 174.74 173.94 1pww n TYR 118 N -3.79 0.00 -3.66 3.88 4.11 -1.26 -4.71 117.16 111.73 1pww n TYR 118 Ca 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.86 1pww n TYR 118 Cb 0.54 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.80 1pww n TYR 118 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1pww s VAL 119 N -1.35 -0.00 -0.09 -3.48 0.11 -1.26 -1.20 120.40 113.13 1pww s VAL 119 Ca 0.10 0.01 -0.20 0.00 -2.93 0.00 0.00 61.98 58.95 1pww s VAL 119 Cb 0.09 -0.86 0.04 0.00 -1.53 0.00 0.00 36.38 34.13 1pww s VAL 119 CO 0.25 0.00 0.48 -0.47 -3.33 0.00 0.00 175.10 172.03 1pww s TYR 120 N 0.57 -0.44 -0.26 1.54 5.04 -1.03 -5.03 117.35 117.75 1pww s TYR 120 Ca -0.02 0.90 0.01 0.00 -2.44 0.00 0.00 57.07 55.52 1pww s TYR 120 Cb -0.05 0.21 0.07 0.00 0.35 0.00 0.00 41.96 42.54 1pww s TYR 120 CO -0.03 -0.39 -0.02 0.00 -1.34 0.00 0.00 175.55 173.77 1pww s ALA 121 N -0.67 2.01 0.23 3.97 0.00 -1.26 -0.70 121.76 125.33 1pww s ALA 121 Ca -0.08 -1.52 -0.30 0.00 0.00 0.00 0.00 51.96 50.06 1pww s ALA 121 Cb -0.03 -1.51 -0.10 0.00 0.00 0.00 0.00 23.12 21.48 1pww s ALA 121 CO 0.04 -1.31 1.43 0.21 0.00 0.00 0.00 175.76 176.14 1pww s LYS 122 N 1.37 4.28 0.00 0.00 2.20 -0.64 -4.93 119.74 122.02 1pww s LYS 122 Ca -0.02 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.86 1pww s LYS 122 Cb -0.19 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1pww s LYS 122 CO -0.09 -0.42 0.00 -1.91 -0.36 0.00 0.00 175.35 172.58 1pww n GLU 123 N 2.59 0.00 0.00 4.03 2.13 -1.26 -3.76 120.64 124.38 1pww n GLU 123 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 1pww n GLU 123 Cb 0.40 -0.06 0.00 0.00 0.27 0.00 0.00 31.44 32.06 1pww n GLU 123 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pww n GLY 124 N 2.17 0.62 0.23 8.31 0.00 -1.26 -3.97 105.19 111.29 1pww n GLY 124 Ca 0.00 -0.80 0.04 0.00 0.00 0.00 0.00 46.02 45.26 1pww n GLY 124 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pww n TYR 125 N 0.00 0.00 -3.02 1.61 4.02 -1.26 -4.65 117.16 113.87 1pww n TYR 125 Ca 0.00 -0.46 -0.22 0.00 -0.01 0.00 0.00 57.90 57.21 1pww n TYR 125 Cb 0.00 -0.09 -0.03 0.00 -0.02 0.00 0.00 39.34 39.20 1pww n TYR 125 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1pww n GLU 126 N -0.64 2.17 -1.65 -0.72 4.71 -1.26 -5.02 120.64 118.23 1pww n GLU 126 Ca 0.07 -4.13 -0.46 0.00 -0.01 0.00 0.00 57.16 52.62 1pww n GLU 126 Cb 0.62 -1.97 -0.04 0.00 -1.01 0.00 0.00 31.44 29.04 1pww n GLU 126 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1pww n PRO 127 N -0.02 1.88 -4.00 3.49 -0.04 -1.25 -4.96 135.00 130.10 1pww n PRO 127 Ca 0.28 0.67 -0.08 0.00 -0.04 0.00 0.00 63.50 64.33 1pww n PRO 127 Cb 0.54 -2.35 -0.09 0.00 -0.04 0.00 0.00 33.50 31.56 1pww n PRO 127 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1pww s VAL 128 N 0.28 0.18 -0.23 0.52 -7.23 -1.25 -1.41 120.40 111.27 1pww s VAL 128 Ca 0.74 -1.52 -0.01 0.00 -1.81 0.00 0.00 61.98 59.38 1pww s VAL 128 Cb -0.71 -1.36 0.06 0.00 0.56 0.00 0.00 36.38 34.94 1pww s VAL 128 CO 0.46 -0.84 -0.00 -0.22 -0.31 0.00 0.00 175.10 174.19 1pww s LEU 129 N -2.77 2.05 -0.32 1.32 0.20 0.66 -1.63 118.68 118.20 1pww s LEU 129 Ca 0.04 -1.11 -0.13 0.00 0.69 0.00 0.00 54.13 53.63 1pww s LEU 129 Cb 0.05 -0.93 -0.03 0.00 -0.43 0.00 0.00 46.19 44.85 1pww s LEU 129 CO -0.09 -0.28 0.25 -0.69 -0.29 0.00 0.00 176.35 175.24 1pww s VAL 130 N 1.58 5.27 -0.16 1.68 1.01 0.12 0.09 120.40 129.99 1pww s VAL 130 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1pww s VAL 130 Cb -0.18 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1pww s VAL 130 CO -0.09 0.08 -0.15 -0.63 0.00 0.00 0.00 175.10 174.31 1pww s ILE 131 N 1.79 2.60 -0.29 2.22 -1.09 0.15 -2.46 121.20 124.13 1pww s ILE 131 Ca 0.08 -0.78 -0.29 0.00 -2.23 0.00 0.00 60.65 57.42 1pww s ILE 131 Cb -0.17 -2.11 -0.00 0.00 -1.58 0.00 0.00 42.46 38.61 1pww s ILE 131 CO 0.11 0.51 1.33 -1.58 -1.23 0.00 0.00 174.94 174.08 1pww s GLN 132 N 0.95 3.90 0.72 2.79 0.74 -0.34 -0.64 119.66 127.79 1pww s GLN 132 Ca -0.03 1.29 -0.16 0.00 0.05 0.00 0.00 55.36 56.51 1pww s GLN 132 Cb -0.15 -3.89 0.01 0.00 1.10 0.00 0.00 33.01 30.08 1pww s GLN 132 CO -0.02 -1.13 0.98 -1.13 -0.55 0.00 0.00 175.29 173.43 1pww n SER 133 N 7.70 0.51 0.00 6.67 3.41 -1.05 -4.90 113.62 125.95 1pww n SER 133 Ca 0.15 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.43 1pww n SER 133 Cb 0.46 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 1pww n SER 133 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pww n SER 134 N -1.73 0.00 -0.37 4.04 3.41 -1.26 -4.83 113.62 112.88 1pww n SER 134 Ca 0.13 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.83 1pww n SER 134 Cb 0.49 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.63 1pww n SER 134 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1pww n GLU 135 N -1.29 1.92 -0.15 4.33 4.07 -1.26 -4.63 120.64 123.63 1pww n GLU 135 Ca 0.00 -2.65 0.04 0.00 -0.06 0.00 0.00 57.16 54.49 1pww n GLU 135 Cb 0.00 -1.61 0.34 0.00 -0.06 0.00 0.00 31.44 30.10 1pww n GLU 135 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1pww h ASP 136 N 0.67 0.68 -0.57 4.31 5.19 -1.96 -3.13 116.42 121.61 1pww h ASP 136 Ca 0.00 -0.01 0.10 0.00 -0.62 0.00 0.00 57.03 56.51 1pww h ASP 136 Cb 1.15 -0.16 -0.10 0.00 0.18 0.00 0.00 39.33 40.40 1pww h ASP 136 CO 0.08 0.46 -0.18 -1.22 -3.12 0.00 0.00 179.24 175.27 1pww n TYR 137 N -4.46 0.13 0.06 4.55 0.53 -1.26 0.29 117.16 117.00 1pww n TYR 137 Ca 0.08 0.70 -0.04 0.00 -1.02 0.00 0.00 57.90 57.62 1pww n TYR 137 Cb 0.13 -0.78 -0.02 0.00 -1.03 0.00 0.00 39.34 37.64 1pww n TYR 137 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 1pww h VAL 138 N 0.00 0.00 0.03 -0.72 2.07 -1.94 -3.21 116.25 112.48 1pww h VAL 138 Ca 0.24 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.54 1pww h VAL 138 Cb 0.39 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1pww h VAL 138 CO -0.58 0.00 -1.04 -0.33 0.02 0.00 0.00 177.57 175.64 1pww h GLU 139 N -0.21 0.06 -2.02 1.57 4.39 -1.60 -3.31 114.58 113.46 1pww h GLU 139 Ca -0.01 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 1pww h GLU 139 Cb 0.19 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1pww h GLU 139 CO -0.02 1.04 -0.08 -1.71 -1.16 0.00 0.00 179.01 177.07 1pww n ASN 140 N -3.41 4.90 -0.60 1.42 2.85 0.84 -4.65 115.26 116.62 1pww n ASN 140 Ca -0.02 -2.33 0.45 0.00 -0.11 0.00 0.00 54.58 52.58 1pww n ASN 140 Cb 0.95 -1.11 0.70 0.00 1.24 0.00 0.00 39.78 41.55 1pww n ASN 140 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1pww n THR 141 N 1.80 -0.01 1.10 -0.44 -2.24 -1.21 0.25 114.28 113.53 1pww n THR 141 Ca 0.10 1.28 0.14 0.00 -2.27 0.00 0.00 64.05 63.30 1pww n THR 141 Cb 0.56 -2.13 0.56 0.00 -2.10 0.00 0.00 70.33 67.22 1pww n THR 141 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1pww n GLU 142 N -3.66 0.13 -0.01 -0.78 2.13 -1.26 -1.96 120.64 115.23 1pww n GLU 142 Ca 0.38 -0.03 -0.12 0.00 0.66 0.00 0.00 57.16 58.05 1pww n GLU 142 Cb 1.71 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 31.78 1pww n GLU 142 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1pww n LYS 143 N -1.41 0.66 0.09 5.31 4.81 0.69 -4.14 118.16 124.17 1pww n LYS 143 Ca 0.08 0.29 -0.13 0.00 -0.87 0.00 0.00 58.31 57.68 1pww n LYS 143 Cb 0.32 -1.78 -0.13 0.00 0.02 0.00 0.00 35.03 33.46 1pww n LYS 143 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pww h ALA 144 N 0.78 0.19 -0.00 3.14 0.00 -1.47 -3.19 119.26 118.71 1pww h ALA 144 Ca -0.32 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.68 1pww h ALA 144 Cb 2.02 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.79 1pww h ALA 144 CO 0.08 1.08 0.10 1.25 0.00 0.00 0.00 179.25 181.76 1pww h LEU 145 N 0.05 0.00 0.10 0.00 7.12 -1.55 -1.69 115.31 119.34 1pww h LEU 145 Ca -0.11 0.00 -0.30 0.00 0.13 0.00 0.00 57.88 57.61 1pww h LEU 145 Cb 1.91 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 42.03 1pww h LEU 145 CO 0.18 0.00 -1.57 0.78 -0.13 0.00 0.00 178.44 177.69 1pww h ASN 146 N 0.00 0.34 -0.95 1.25 2.35 -1.72 -2.97 115.58 113.88 1pww h ASN 146 Ca 0.00 -0.83 0.05 0.00 -0.55 0.00 0.00 56.30 54.97 1pww h ASN 146 Cb 0.21 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.41 1pww h ASN 146 CO -0.00 1.68 0.62 0.58 -1.65 0.00 0.00 177.43 178.66 1pww h VAL 147 N -0.30 1.13 -0.01 2.81 2.07 -1.41 0.20 116.25 120.74 1pww h VAL 147 Ca -0.35 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 66.70 1pww h VAL 147 Cb 1.78 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1pww h VAL 147 CO 0.03 0.21 -0.37 1.88 0.02 0.00 0.00 177.57 179.34 1pww h TYR 148 N 1.15 0.02 -0.40 1.57 0.99 -1.46 -1.83 116.97 117.01 1pww h TYR 148 Ca 0.39 -0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.99 1pww h TYR 148 Cb 0.08 -0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.79 1pww h TYR 148 CO -0.00 0.38 -0.27 -0.92 -0.00 0.00 0.00 178.16 177.35 1pww h TYR 149 N 0.01 0.96 -0.09 4.88 3.20 -0.85 -1.13 116.97 123.95 1pww h TYR 149 Ca -0.00 -0.24 -0.11 0.00 3.14 0.00 0.00 58.73 61.52 1pww h TYR 149 Cb 0.66 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1pww h TYR 149 CO 0.00 1.00 -0.43 1.49 -1.64 0.00 0.00 178.16 178.58 1pww h GLU 150 N 0.71 0.20 0.00 1.82 4.57 -0.69 0.55 114.58 121.75 1pww h GLU 150 Ca 0.09 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1pww h GLU 150 Cb 0.81 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 1pww h GLU 150 CO 0.07 0.60 0.00 -0.89 -1.18 0.00 0.00 179.01 177.61 1pww n ILE 151 N -4.01 0.01 -0.04 2.32 5.41 -0.73 -2.05 119.36 120.26 1pww n ILE 151 Ca -0.02 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.68 1pww n ILE 151 Cb 0.49 -0.54 -0.14 0.00 -0.71 0.00 0.00 39.64 38.74 1pww n ILE 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pww n GLY 152 N 0.87 -1.04 0.16 7.39 0.00 0.14 -3.50 105.19 109.21 1pww n GLY 152 Ca 0.22 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1pww n GLY 152 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pww h LYS 153 N 0.00 0.54 0.00 1.61 1.57 -1.05 -2.50 116.57 116.74 1pww h LYS 153 Ca -0.35 -0.79 -0.02 0.00 -1.87 0.00 0.00 60.65 57.62 1pww h LYS 153 Cb 1.95 0.27 -0.00 0.00 0.08 0.00 0.00 32.23 34.53 1pww h LYS 153 CO 0.05 1.36 -0.11 0.82 -0.57 0.00 0.00 179.45 181.00 1pww h ILE 154 N 0.21 1.02 0.00 1.86 1.08 -1.56 0.85 117.51 120.96 1pww h ILE 154 Ca -0.19 -0.38 -0.00 0.00 -0.39 0.00 0.00 64.86 63.90 1pww h ILE 154 Cb 1.98 1.21 0.00 0.00 -3.07 0.00 0.00 36.82 36.94 1pww h ILE 154 CO 0.24 0.11 -0.00 0.25 -0.69 0.00 0.00 178.15 178.06 1pww h LEU 155 N 0.00 -0.00 -2.19 1.44 5.85 -1.58 -1.76 115.31 117.07 1pww h LEU 155 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1pww h LEU 155 Cb 0.20 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1pww h LEU 155 CO 0.01 0.04 -0.06 0.77 -0.34 0.00 0.00 178.44 178.87 1pww h SER 156 N -0.09 0.00 0.00 1.25 4.64 -1.51 0.38 113.55 118.22 1pww h SER 156 Ca -0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.99 1pww h SER 156 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 1pww h SER 156 CO 0.00 0.06 -2.23 -1.14 -0.87 0.00 0.00 176.83 172.65 1pww n ARG 157 N -3.84 0.88 -0.01 4.77 0.63 0.28 -3.89 116.66 115.49 1pww n ARG 157 Ca -0.03 0.06 0.07 0.00 -0.92 0.00 0.00 57.85 57.03 1pww n ARG 157 Cb 0.15 -1.45 -0.11 0.00 0.45 0.00 0.00 32.46 31.51 1pww n ARG 157 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1pww n ASP 158 N -2.88 1.64 -0.06 6.15 10.43 -1.03 -4.45 116.55 126.35 1pww n ASP 158 Ca -0.33 -0.09 -0.09 0.00 2.57 0.00 0.00 54.79 56.85 1pww n ASP 158 Cb 1.00 1.58 -0.06 0.00 1.84 0.00 0.00 41.12 45.47 1pww n ASP 158 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1pww n ILE 159 N -1.92 0.75 0.12 0.53 2.08 -0.12 -4.64 119.36 116.17 1pww n ILE 159 Ca -0.02 -0.30 0.05 0.00 0.56 0.00 0.00 62.75 63.04 1pww n ILE 159 Cb 0.35 -0.94 0.02 0.00 -0.75 0.00 0.00 39.64 38.31 1pww n ILE 159 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1pww h LEU 160 N 0.00 0.00 -0.97 1.39 3.38 -0.53 -3.28 115.31 115.30 1pww h LEU 160 Ca -0.29 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 1pww h LEU 160 Cb 1.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 1pww h LEU 160 CO -0.04 0.34 -0.37 0.77 0.09 0.00 0.00 178.44 179.24 1pww h SER 161 N 0.00 0.00 0.44 -0.43 4.64 -1.55 0.57 113.55 117.22 1pww h SER 161 Ca -0.05 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1pww h SER 161 Cb 1.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1pww h SER 161 CO 0.04 0.37 -0.02 0.11 -0.87 0.00 0.00 176.83 176.45 1pww h LYS 162 N 0.00 0.00 0.00 4.77 1.79 -1.82 -2.59 116.57 118.72 1pww h LYS 162 Ca -0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1pww h LYS 162 Cb 0.87 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 1pww h LYS 162 CO 0.05 0.02 -0.38 0.44 -1.08 0.00 0.00 179.45 178.50 1pww n ILE 163 N -3.19 2.04 -2.73 1.86 -5.35 -0.96 -4.99 119.36 106.04 1pww n ILE 163 Ca -0.01 -2.89 -0.16 0.00 -0.27 0.00 0.00 62.75 59.41 1pww n ILE 163 Cb 0.19 -0.20 0.02 0.00 -1.74 0.00 0.00 39.64 37.91 1pww n ILE 163 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1pww n ASN 164 N -1.15 -4.92 -4.38 7.28 5.03 -0.97 -4.90 115.26 111.24 1pww n ASN 164 Ca 0.18 -0.18 -0.21 0.00 0.87 0.00 0.00 54.58 55.24 1pww n ASN 164 Cb 0.69 -3.82 -0.10 0.00 -1.02 0.00 0.00 39.78 35.53 1pww n ASN 164 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1pww s GLN 165 N -5.29 1.42 0.72 3.52 -0.21 0.19 -4.22 119.66 115.79 1pww s GLN 165 Ca 0.19 -1.60 -0.11 0.00 0.02 0.00 0.00 55.36 53.86 1pww s GLN 165 Cb -0.08 -1.37 0.02 0.00 1.00 0.00 0.00 33.01 32.58 1pww s GLN 165 CO 0.23 0.25 1.07 -1.25 -2.12 0.00 0.00 175.29 173.47 1pww s PRO 166 N -3.41 2.73 0.00 2.91 0.04 -1.26 -2.19 135.00 133.81 1pww s PRO 166 Ca 0.23 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1pww s PRO 166 Cb -0.03 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1pww s PRO 166 CO 0.09 -1.24 0.00 0.98 0.04 0.00 0.00 177.00 176.87 1pww n TYR 167 N -3.23 0.00 -0.29 0.56 9.36 -1.26 -4.99 117.16 117.31 1pww n TYR 167 Ca 0.08 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.24 1pww n TYR 167 Cb 0.54 0.00 0.06 0.00 -0.63 0.00 0.00 39.34 39.31 1pww n TYR 167 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 1pww h GLN 168 N 0.00 1.15 0.25 2.98 5.75 -1.92 -2.69 115.11 120.62 1pww h GLN 168 Ca 0.00 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.33 1pww h GLN 168 Cb 0.00 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.33 1pww h GLN 168 CO 0.00 0.90 -0.28 -0.22 -2.65 0.00 0.00 178.83 176.58 1pww h LYS 169 N 1.12 -0.55 -0.30 1.69 3.64 -1.96 -1.60 116.57 118.61 1pww h LYS 169 Ca 0.27 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1pww h LYS 169 Cb 0.14 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1pww h LYS 169 CO -0.03 -0.37 0.20 0.35 -2.27 0.00 0.00 179.45 177.33 1pww h PHE 170 N -0.57 0.38 -0.86 1.91 3.57 -1.94 -0.38 116.94 119.05 1pww h PHE 170 Ca -0.00 0.01 0.22 0.00 3.53 0.00 0.00 57.97 61.72 1pww h PHE 170 Cb 0.53 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 1pww h PHE 170 CO -0.19 0.24 0.59 -0.07 -2.23 0.00 0.00 178.31 176.66 1pww h LEU 171 N 0.41 0.22 -0.79 0.59 3.38 -1.26 0.47 115.31 118.32 1pww h LEU 171 Ca 0.11 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1pww h LEU 171 Cb -0.04 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1pww h LEU 171 CO -0.02 0.08 0.26 0.44 0.09 0.00 0.00 178.44 179.29 1pww h ASP 172 N 0.21 1.08 0.16 -0.43 3.32 -0.06 -0.88 116.42 119.83 1pww h ASP 172 Ca 0.43 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1pww h ASP 172 Cb 1.36 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1pww h ASP 172 CO -0.10 0.99 -0.08 0.58 -1.72 0.00 0.00 179.24 178.91 1pww h VAL 173 N 1.12 0.96 -0.84 -1.35 2.07 0.13 -0.78 116.25 117.55 1pww h VAL 173 Ca 0.25 -0.73 0.24 0.00 0.82 0.00 0.00 66.70 67.28 1pww h VAL 173 Cb 0.28 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1pww h VAL 173 CO -0.01 0.16 0.61 -0.07 0.02 0.00 0.00 177.57 178.28 1pww h LEU 174 N -0.58 0.01 0.01 2.57 3.38 -0.98 0.19 115.31 119.90 1pww h LEU 174 Ca -0.02 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.71 1pww h LEU 174 Cb 0.44 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1pww h LEU 174 CO 0.04 0.00 -1.25 0.78 0.09 0.00 0.00 178.44 178.10 1pww h ASN 175 N 0.01 0.02 -0.48 -0.43 2.35 -0.89 -0.22 115.58 115.95 1pww h ASN 175 Ca 0.40 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 56.07 1pww h ASN 175 Cb 1.60 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.94 1pww h ASN 175 CO -0.01 1.02 0.10 0.74 -1.65 0.00 0.00 177.43 177.63 1pww h THR 176 N 0.00 1.24 0.14 2.81 2.02 0.82 -2.35 112.91 117.60 1pww h THR 176 Ca -0.11 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 1pww h THR 176 Cb 1.86 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 1pww h THR 176 CO 0.12 0.31 -0.07 0.40 0.37 0.00 0.00 175.52 176.65 1pww h ILE 177 N 0.65 1.01 0.00 3.11 2.04 -1.22 -1.74 117.51 121.35 1pww h ILE 177 Ca 0.15 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1pww h ILE 177 Cb 0.35 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1pww h ILE 177 CO 0.00 0.22 0.15 1.17 0.00 0.00 0.00 178.15 179.70 1pww n LYS 178 N -4.96 0.03 0.00 2.37 4.81 -0.09 -0.46 118.16 119.85 1pww n LYS 178 Ca -0.09 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 1pww n LYS 178 Cb 0.26 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 33.56 1pww n LYS 178 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1pww n ASN 179 N -1.57 1.46 -4.75 3.14 3.02 -0.89 -5.05 115.26 110.63 1pww n ASN 179 Ca -0.00 -1.71 -0.35 0.00 -0.03 0.00 0.00 54.58 52.49 1pww n ASN 179 Cb 0.16 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.38 1pww n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pww s ALA 180 N -0.71 2.41 0.04 5.41 0.00 0.39 -4.94 121.76 124.36 1pww s ALA 180 Ca 0.00 0.89 -0.25 0.00 0.00 0.00 0.00 51.96 52.60 1pww s ALA 180 Cb 0.00 -3.43 -0.17 0.00 0.00 0.00 0.00 23.12 19.51 1pww s ALA 180 CO 0.00 -1.39 1.50 1.03 0.00 0.00 0.00 175.76 176.90 1pww h SER 181 N 0.39 -0.05 -3.24 0.00 0.87 -1.90 -3.40 113.55 106.23 1pww h SER 181 Ca -0.49 -0.21 -0.56 0.00 -1.23 0.00 0.00 61.79 59.30 1pww h SER 181 Cb 1.29 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 63.22 1pww h SER 181 CO 0.53 0.19 0.59 -0.62 -0.53 0.00 0.00 176.83 176.99 1pww s ASP 182 N -5.36 7.23 -0.15 6.23 3.68 -1.26 -4.93 116.67 122.10 1pww s ASP 182 Ca -0.14 1.53 0.07 0.00 2.13 0.00 0.00 52.55 56.14 1pww s ASP 182 Cb 0.04 -2.56 0.46 0.00 -1.45 0.00 0.00 42.92 39.41 1pww s ASP 182 CO 0.66 -0.47 1.26 -1.54 0.13 0.00 0.00 175.17 175.20 1pww n SER 183 N 5.11 3.67 0.14 -0.34 3.41 -1.26 -4.36 113.62 120.00 1pww n SER 183 Ca 0.09 -2.59 -0.13 0.00 -0.26 0.00 0.00 58.87 55.98 1pww n SER 183 Cb 0.48 -0.62 -0.08 0.00 -0.26 0.00 0.00 64.21 63.73 1pww n SER 183 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1pww h ASP 184 N 2.03 -0.32 -0.98 4.04 5.19 -1.92 -2.25 116.42 122.21 1pww h ASP 184 Ca 0.05 -0.19 0.17 0.00 -0.62 0.00 0.00 57.03 56.44 1pww h ASP 184 Cb 1.45 0.08 -0.09 0.00 0.18 0.00 0.00 39.33 40.95 1pww h ASP 184 CO 0.33 0.04 0.61 1.23 -3.12 0.00 0.00 179.24 178.33 1pww h GLY 185 N -0.73 1.56 0.74 2.75 0.00 -1.23 0.74 103.07 106.89 1pww h GLY 185 Ca -0.04 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 1pww h GLY 185 CO 0.06 0.02 -0.35 -1.61 0.00 0.00 0.00 176.54 174.66 1pww h GLN 186 N 0.77 -0.95 -0.19 4.80 4.15 -1.82 -1.13 115.11 120.74 1pww h GLN 186 Ca 0.53 0.07 0.05 0.00 0.77 0.00 0.00 58.65 60.07 1pww h GLN 186 Cb 0.81 0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 1pww h GLN 186 CO -0.30 -0.64 0.19 -0.44 -1.93 0.00 0.00 178.83 175.71 1pww h ASP 187 N -1.01 0.00 0.69 -0.69 3.45 -0.90 0.28 116.42 118.24 1pww h ASP 187 Ca -0.10 0.00 -0.26 0.00 0.43 0.00 0.00 57.03 57.09 1pww h ASP 187 Cb 0.76 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.53 1pww h ASP 187 CO 0.17 0.00 -1.21 0.25 -1.57 0.00 0.00 179.24 176.87 1pww h LEU 188 N 0.00 0.34 0.00 1.55 5.85 -0.66 -3.42 115.31 118.97 1pww h LEU 188 Ca 0.09 -0.37 -0.24 0.00 0.84 0.00 0.00 57.88 58.20 1pww h LEU 188 Cb 0.46 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1pww h LEU 188 CO -0.00 1.29 -1.82 0.18 -0.34 0.00 0.00 178.44 177.76 1pww n LEU 189 N -3.49 1.70 -4.58 2.25 4.77 -0.44 -5.05 117.00 112.15 1pww n LEU 189 Ca -0.07 0.10 -0.29 0.00 -0.03 0.00 0.00 56.01 55.71 1pww n LEU 189 Cb 1.01 -0.45 0.22 0.00 -2.33 0.00 0.00 43.42 41.87 1pww n LEU 189 CO 0.52 0.45 0.59 -0.36 -1.33 0.00 0.00 177.39 177.26 1pww s PHE 190 N -2.27 1.17 0.26 -1.77 2.99 0.91 -4.78 117.98 114.49 1pww s PHE 190 Ca -0.20 0.80 0.02 0.00 0.00 0.00 0.00 56.93 57.55 1pww s PHE 190 Cb 0.07 -3.26 0.02 0.00 0.00 0.00 0.00 43.02 39.85 1pww s PHE 190 CO 0.28 -3.63 0.17 0.25 -0.00 0.00 0.00 175.22 172.28 1pww n THR 191 N -4.67 0.00 0.24 0.64 -2.24 -1.26 -4.85 114.28 102.14 1pww n THR 191 Ca 0.08 -1.05 -0.14 0.00 -2.27 0.00 0.00 64.05 60.67 1pww n THR 191 Cb 0.58 -0.21 -0.08 0.00 -2.10 0.00 0.00 70.33 68.52 1pww n THR 191 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1pww h ASN 192 N 0.35 -0.51 -0.09 3.42 2.35 -1.99 -2.57 115.58 116.54 1pww h ASN 192 Ca -0.17 -0.09 0.04 0.00 -0.55 0.00 0.00 56.30 55.53 1pww h ASN 192 Cb 0.60 0.13 -0.06 0.00 0.05 0.00 0.00 38.32 39.04 1pww h ASN 192 CO 0.27 -0.19 -0.42 -0.61 -1.65 0.00 0.00 177.43 174.83 1pww h GLN 193 N -0.85 -0.50 -0.93 0.81 4.15 -1.97 0.12 115.11 115.93 1pww h GLN 193 Ca -0.06 0.03 0.23 0.00 0.77 0.00 0.00 58.65 59.62 1pww h GLN 193 Cb 0.57 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 28.31 1pww h GLN 193 CO 0.10 -0.34 0.63 -0.07 -1.93 0.00 0.00 178.83 177.22 1pww h LEU 194 N -0.52 0.31 -0.02 -2.39 3.38 -1.96 0.15 115.31 114.27 1pww h LEU 194 Ca 0.06 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1pww h LEU 194 Cb 0.64 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1pww h LEU 194 CO -0.37 0.11 -0.21 0.11 0.09 0.00 0.00 178.44 178.17 1pww h LYS 195 N 0.30 0.18 -0.96 1.13 1.57 -0.82 -3.23 116.57 114.74 1pww h LYS 195 Ca 0.48 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1pww h LYS 195 Cb 1.38 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.73 1pww h LYS 195 CO -0.16 0.87 0.00 0.39 -0.57 0.00 0.00 179.45 179.98 1pww n GLU 196 N -4.54 0.51 -3.61 3.15 1.02 0.30 -4.74 120.64 112.73 1pww n GLU 196 Ca -0.09 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.67 1pww n GLU 196 Cb 0.47 -1.25 -0.11 0.00 -0.02 0.00 0.00 31.44 30.53 1pww n GLU 196 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1pww s HIS 197 N -0.32 3.21 0.21 -0.32 2.46 -1.02 -4.99 115.29 114.52 1pww s HIS 197 Ca 0.00 0.08 -0.10 0.00 0.47 0.00 0.00 55.06 55.51 1pww s HIS 197 Cb 0.00 -2.37 0.29 0.00 -0.13 0.00 0.00 32.58 30.38 1pww s HIS 197 CO 0.00 -0.17 1.69 -1.00 -2.47 0.00 0.00 174.74 172.80 1pww h PRO 198 N 8.33 0.20 -5.28 2.88 0.13 -1.92 -3.45 132.00 132.88 1pww h PRO 198 Ca -0.35 -0.01 -0.57 0.00 -0.87 0.00 0.00 66.00 64.19 1pww h PRO 198 Cb 1.19 -0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.14 1pww h PRO 198 CO 0.56 0.13 -0.57 0.95 -0.23 0.00 0.00 178.00 178.84 1pww s THR 199 N -6.12 1.25 0.93 1.56 -4.23 -1.26 -5.13 115.64 102.64 1pww s THR 199 Ca -0.13 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.23 1pww s THR 199 Cb 0.18 -2.61 0.06 0.00 1.34 0.00 0.00 72.50 71.46 1pww s THR 199 CO 0.74 0.00 -0.16 0.47 -0.54 0.00 0.00 174.62 175.13 1pww n ASP 200 N -1.01 -2.70 -4.37 3.99 9.92 -1.26 -4.88 116.55 116.25 1pww n ASP 200 Ca -0.07 -0.19 -0.44 0.00 -0.53 0.00 0.00 54.79 53.55 1pww n ASP 200 Cb 0.66 -0.70 -0.07 0.00 -0.64 0.00 0.00 41.12 40.37 1pww n ASP 200 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1pww s PHE 201 N -2.07 3.26 0.68 1.24 0.40 -1.26 -5.05 117.98 115.16 1pww s PHE 201 Ca 0.33 -1.04 -0.13 0.00 -0.60 0.00 0.00 56.93 55.49 1pww s PHE 201 Cb -0.03 -3.25 0.00 0.00 0.51 0.00 0.00 43.02 40.26 1pww s PHE 201 CO 0.39 -0.84 1.07 -1.54 0.70 0.00 0.00 175.22 175.00 1pww s SER 202 N 2.71 5.30 0.60 1.36 1.04 -1.26 -4.89 113.70 118.56 1pww s SER 202 Ca 0.04 1.76 0.33 0.00 0.48 0.00 0.00 55.95 58.55 1pww s SER 202 Cb -0.25 -2.52 1.94 0.00 0.10 0.00 0.00 66.02 65.29 1pww s SER 202 CO 0.06 -1.50 2.28 1.62 0.98 0.00 0.00 173.24 176.67 1pww h VAL 203 N -0.38 0.41 0.00 5.02 3.04 -1.97 0.25 116.25 122.62 1pww h VAL 203 Ca -0.45 -0.03 -0.07 0.00 -1.01 0.00 0.00 66.70 65.15 1pww h VAL 203 Cb 1.22 1.02 -0.01 0.00 -2.01 0.00 0.00 31.29 31.51 1pww h VAL 203 CO 0.56 0.01 -0.31 -0.33 -1.01 0.00 0.00 177.57 176.48 1pww h GLU 204 N 0.00 0.00 -0.30 4.17 3.07 -2.01 -2.51 114.58 116.99 1pww h GLU 204 Ca -0.00 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.69 1pww h GLU 204 Cb 0.02 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1pww h GLU 204 CO 0.00 0.31 -0.48 0.35 -1.40 0.00 0.00 179.01 177.79 1pww h PHE 205 N 0.00 0.99 -0.01 4.33 3.04 -0.85 -2.64 116.94 121.79 1pww h PHE 205 Ca -0.00 -0.32 0.00 0.00 3.98 0.00 0.00 57.97 61.63 1pww h PHE 205 Cb 0.80 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 39.12 1pww h PHE 205 CO 0.00 1.12 0.02 1.25 -2.02 0.00 0.00 178.31 178.68 1pww h LEU 206 N 0.64 0.00 0.03 0.59 5.85 -1.24 -0.96 115.31 120.21 1pww h LEU 206 Ca 0.03 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1pww h LEU 206 Cb 1.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1pww h LEU 206 CO 0.10 0.00 -0.01 -0.33 -0.34 0.00 0.00 178.44 177.86 1pww h GLU 207 N 0.00 -0.04 0.00 1.25 4.39 -1.39 -3.14 114.58 115.65 1pww h GLU 207 Ca 0.01 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 1pww h GLU 207 Cb 0.05 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1pww h GLU 207 CO -0.00 0.52 -0.25 1.96 -1.16 0.00 0.00 179.01 180.08 1pww h GLN 208 N -0.63 0.00 -1.98 2.33 1.08 -1.60 -3.35 115.11 110.97 1pww h GLN 208 Ca -0.00 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.06 1pww h GLN 208 Cb 0.58 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.95 1pww h GLN 208 CO 0.01 0.98 -0.16 0.09 -0.95 0.00 0.00 178.83 178.80 1pww n ASN 209 N -4.58 5.40 -0.08 1.46 3.02 -0.38 -4.64 115.26 115.46 1pww n ASN 209 Ca -0.14 -2.52 -0.05 0.00 -0.03 0.00 0.00 54.58 51.83 1pww n ASN 209 Cb 0.51 -1.28 -0.04 0.00 -0.61 0.00 0.00 39.78 38.36 1pww n ASN 209 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1pww h SER 210 N 2.16 -0.80 -0.21 6.41 4.64 -1.69 -3.04 113.55 121.03 1pww h SER 210 Ca 0.13 0.11 0.05 0.00 -0.47 0.00 0.00 61.79 61.61 1pww h SER 210 Cb 1.25 0.33 -0.05 0.00 -0.31 0.00 0.00 62.40 63.63 1pww h SER 210 CO 0.20 -0.15 -0.08 -1.13 -0.87 0.00 0.00 176.83 174.80 1pww h ASN 211 N -0.13 -0.28 -0.95 4.97 -0.73 -1.89 -2.98 115.58 113.59 1pww h ASN 211 Ca 0.04 0.08 0.25 0.00 1.87 0.00 0.00 56.30 58.53 1pww h ASN 211 Cb 0.23 0.17 -0.13 0.00 0.27 0.00 0.00 38.32 38.85 1pww h ASN 211 CO -0.27 -0.11 0.47 -0.33 -0.37 0.00 0.00 177.43 176.82 1pww h GLU 212 N -0.04 0.41 0.00 6.67 4.39 -1.91 0.17 114.58 124.27 1pww h GLU 212 Ca 0.11 -0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.61 1pww h GLU 212 Cb 0.21 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1pww h GLU 212 CO -0.25 0.27 -0.86 0.28 -1.16 0.00 0.00 179.01 177.30 1pww h VAL 213 N 0.42 1.58 -0.31 3.13 2.07 -1.48 -3.05 116.25 118.60 1pww h VAL 213 Ca 0.62 -2.97 -0.07 0.00 0.82 0.00 0.00 66.70 65.10 1pww h VAL 213 Cb 1.24 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 33.62 1pww h VAL 213 CO -0.54 0.84 -0.10 1.56 0.02 0.00 0.00 177.57 179.34 1pww h GLN 214 N 0.00 0.53 0.38 1.57 4.20 -0.57 -2.94 115.11 118.28 1pww h GLN 214 Ca -0.01 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 1pww h GLN 214 Cb 1.55 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.28 1pww h GLN 214 CO 0.11 0.63 -0.18 0.93 -0.67 0.00 0.00 178.83 179.65 1pww h GLU 215 N 0.49 -0.49 -1.19 1.46 4.39 -1.17 -2.08 114.58 115.99 1pww h GLU 215 Ca 0.09 0.03 0.34 0.00 0.34 0.00 0.00 59.36 60.17 1pww h GLU 215 Cb 0.47 0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.16 1pww h GLU 215 CO 0.03 -0.18 0.81 0.28 -1.16 0.00 0.00 179.01 178.79 1pww h VAL 216 N -0.88 0.39 0.25 3.13 2.07 -1.52 0.52 116.25 120.20 1pww h VAL 216 Ca -0.05 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1pww h VAL 216 Cb 0.54 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1pww h VAL 216 CO 0.09 0.03 -0.12 0.15 0.02 0.00 0.00 177.57 177.74 1pww h PHE 217 N 0.17 -0.31 -0.55 1.57 3.57 -1.32 -2.11 116.94 117.96 1pww h PHE 217 Ca 0.64 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 62.19 1pww h PHE 217 Cb 2.09 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 40.88 1pww h PHE 217 CO -0.00 0.01 0.28 0.00 -2.23 0.00 0.00 178.31 176.36 1pww h ALA 218 N -0.03 0.71 0.12 2.41 0.00 0.62 0.30 119.26 123.40 1pww h ALA 218 Ca -0.03 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pww h ALA 218 Cb 0.47 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1pww h ALA 218 CO 0.06 -0.08 -0.17 0.87 0.00 0.00 0.00 179.25 179.93 1pww h LYS 219 N 0.53 -0.30 -1.05 0.00 1.57 -0.87 0.68 116.57 117.14 1pww h LYS 219 Ca 0.25 0.02 0.27 0.00 -1.87 0.00 0.00 60.65 59.32 1pww h LYS 219 Cb 0.17 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.46 1pww h LYS 219 CO -0.18 -0.20 0.69 0.00 -0.57 0.00 0.00 179.45 179.19 1pww h ALA 220 N -1.38 2.35 0.46 3.86 0.00 -1.11 -0.31 119.26 123.13 1pww h ALA 220 Ca -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1pww h ALA 220 Cb 0.28 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1pww h ALA 220 CO -0.05 -0.74 -0.22 0.35 0.00 0.00 0.00 179.25 178.59 1pww h PHE 221 N 0.34 -0.57 -0.01 0.00 3.57 0.07 -2.23 116.94 118.11 1pww h PHE 221 Ca 0.58 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 62.10 1pww h PHE 221 Cb 1.59 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 40.47 1pww h PHE 221 CO -0.00 -0.24 -0.35 0.00 -2.23 0.00 0.00 178.31 175.48 1pww h ALA 222 N -0.67 -0.52 -1.01 2.41 0.00 0.07 0.31 119.26 119.85 1pww h ALA 222 Ca -0.06 -0.02 0.27 0.00 0.00 0.00 0.00 54.91 55.10 1pww h ALA 222 Cb 0.58 0.63 -0.13 0.00 0.00 0.00 0.00 17.79 18.86 1pww h ALA 222 CO 0.10 -0.87 0.60 1.88 0.00 0.00 0.00 179.25 180.96 1pww h TYR 223 N -0.50 0.96 -0.07 0.00 -1.99 -1.16 0.37 116.97 114.58 1pww h TYR 223 Ca 0.06 0.04 -0.23 0.00 2.00 0.00 0.00 58.73 60.59 1pww h TYR 223 Cb 0.59 -0.27 0.01 0.00 2.00 0.00 0.00 36.73 39.06 1pww h TYR 223 CO -0.38 -0.01 -0.88 -0.92 -0.00 0.00 0.00 178.16 175.98 1pww h TYR 224 N 0.49 0.91 -0.34 4.88 3.20 -0.09 -2.48 116.97 123.55 1pww h TYR 224 Ca 0.67 -0.45 -0.16 0.00 3.14 0.00 0.00 58.73 61.94 1pww h TYR 224 Cb 1.39 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.54 1pww h TYR 224 CO -0.01 1.27 -0.40 0.82 -1.64 0.00 0.00 178.16 178.21 1pww h ILE 225 N 0.41 1.28 -2.65 1.81 1.08 0.14 -3.40 117.51 116.17 1pww h ILE 225 Ca -0.08 -1.57 -0.54 0.00 -0.39 0.00 0.00 64.86 62.28 1pww h ILE 225 Cb 1.51 1.50 -0.06 0.00 -3.07 0.00 0.00 36.82 36.70 1pww h ILE 225 CO 0.17 0.52 1.12 -0.70 -0.69 0.00 0.00 178.15 178.57 1pww s GLU 226 N -4.32 3.21 0.23 2.37 -6.30 -0.10 -4.92 118.70 108.88 1pww s GLU 226 Ca -0.11 0.36 -0.17 0.00 -2.50 0.00 0.00 54.97 52.55 1pww s GLU 226 Cb 0.10 -4.16 0.26 0.00 0.00 0.00 0.00 34.13 30.33 1pww s GLU 226 CO 0.87 -2.06 1.55 -2.30 0.02 0.00 0.00 175.26 173.35 1pww n PRO 227 N 8.84 -0.22 -0.28 4.30 -0.02 -1.26 -1.95 135.00 144.41 1pww n PRO 227 Ca 0.12 1.54 0.01 0.00 -2.02 0.00 0.00 63.50 63.14 1pww n PRO 227 Cb 0.49 -2.29 0.21 0.00 -0.02 0.00 0.00 33.50 31.90 1pww n PRO 227 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1pww h GLN 228 N 0.00 1.08 0.00 -0.52 5.75 -1.91 -2.41 115.11 117.10 1pww h GLN 228 Ca 0.36 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.79 1pww h GLN 228 Cb 0.61 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 28.91 1pww h GLN 228 CO -1.00 0.71 -0.34 0.45 -2.65 0.00 0.00 178.83 176.01 1pww h HIS 229 N 1.11 0.00 -0.95 3.99 3.86 -1.63 -3.33 115.15 118.21 1pww h HIS 229 Ca 0.32 0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.72 1pww h HIS 229 Cb -0.06 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.32 1pww h HIS 229 CO -0.00 0.00 0.61 -0.09 0.86 0.00 0.00 177.93 179.30 1pww h ARG 230 N 0.00 0.58 0.00 2.45 2.43 -0.86 0.56 114.38 119.55 1pww h ARG 230 Ca 0.00 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1pww h ARG 230 Cb 0.78 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1pww h ARG 230 CO 0.00 0.39 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.32 1pww h ASP 231 N 0.60 0.00 -0.26 -3.80 5.19 -1.70 -1.59 116.42 114.87 1pww h ASP 231 Ca 0.51 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.73 1pww h ASP 231 Cb 0.99 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.50 1pww h ASP 231 CO -0.26 0.09 -0.58 0.58 -3.12 0.00 0.00 179.24 175.96 1pww h VAL 232 N 0.00 1.27 0.42 -1.35 2.07 -0.10 -3.00 116.25 115.56 1pww h VAL 232 Ca -0.00 -1.76 -0.02 0.00 0.82 0.00 0.00 66.70 65.74 1pww h VAL 232 Cb 0.44 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1pww h VAL 232 CO 0.01 0.57 -0.20 -0.07 0.02 0.00 0.00 177.57 177.90 1pww h LEU 233 N 0.66 -0.48 -0.02 2.57 3.38 -1.04 -2.21 115.31 118.17 1pww h LEU 233 Ca 0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1pww h LEU 233 Cb 1.19 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1pww h LEU 233 CO 0.13 -0.28 0.22 1.67 0.09 0.00 0.00 178.44 180.26 1pww n GLN 234 N -3.85 0.00 -0.02 1.13 7.27 -0.76 -0.02 117.38 121.13 1pww n GLN 234 Ca -0.07 0.29 -0.02 0.00 0.07 0.00 0.00 57.00 57.28 1pww n GLN 234 Cb 0.22 -1.72 -0.01 0.00 2.41 0.00 0.00 30.24 31.15 1pww n GLN 234 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1pww n LEU 235 N -1.30 0.51 0.02 1.69 7.94 -1.10 -4.44 117.00 120.32 1pww n LEU 235 Ca -0.00 0.29 0.11 0.00 -1.11 0.00 0.00 56.01 55.30 1pww n LEU 235 Cb 0.22 -0.59 0.04 0.00 0.53 0.00 0.00 43.42 43.61 1pww n LEU 235 CO 0.00 -0.48 0.06 -1.22 -1.11 0.00 0.00 177.39 174.64 1pww n TYR 236 N -2.94 0.18 -3.10 1.96 4.01 -0.85 -4.45 117.16 111.97 1pww n TYR 236 Ca -0.02 0.05 -0.21 0.00 -0.16 0.00 0.00 57.90 57.56 1pww n TYR 236 Cb 0.09 -0.35 -0.03 0.00 -0.31 0.00 0.00 39.34 38.74 1pww n TYR 236 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pww n ALA 237 N -1.73 2.94 0.18 -0.72 0.00 0.96 -0.93 120.51 121.21 1pww n ALA 237 Ca 0.03 -3.86 -0.15 0.00 0.00 0.00 0.00 53.44 49.46 1pww n ALA 237 Cb 0.41 -0.86 -0.07 0.00 0.00 0.00 0.00 19.45 18.92 1pww n ALA 237 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1pww h PRO 238 N 3.00 -0.66 -0.43 0.00 0.11 -1.76 0.11 132.00 132.36 1pww h PRO 238 Ca 0.11 0.05 0.12 0.00 0.11 0.00 0.00 66.00 66.39 1pww h PRO 238 Cb 0.81 0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 1pww h PRO 238 CO 0.61 -0.44 0.38 0.93 -0.21 0.00 0.00 178.00 179.27 1pww h GLU 239 N -0.69 0.00 0.06 1.05 4.39 -1.93 0.51 114.58 117.97 1pww h GLU 239 Ca -0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 1pww h GLU 239 Cb 0.66 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1pww h GLU 239 CO -0.13 0.00 -1.25 0.00 -1.16 0.00 0.00 179.01 176.47 1pww h ALA 240 N 1.65 0.30 -0.02 3.43 0.00 -1.74 -2.97 119.26 119.92 1pww h ALA 240 Ca 0.20 -1.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.11 1pww h ALA 240 Cb 0.96 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1pww h ALA 240 CO -0.00 1.18 -0.01 0.35 0.00 0.00 0.00 179.25 180.77 1pww h PHE 241 N 0.04 0.05 -0.10 0.00 3.04 0.24 -2.27 116.94 117.93 1pww h PHE 241 Ca -0.12 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 61.86 1pww h PHE 241 Cb 1.90 -0.01 -0.06 0.00 2.56 0.00 0.00 35.95 40.35 1pww h PHE 241 CO 0.03 0.47 -0.29 -0.91 -2.02 0.00 0.00 178.31 175.60 1pww h ASN 242 N -0.39 -0.88 -0.02 0.41 -0.26 -0.69 0.37 115.58 114.12 1pww h ASN 242 Ca 0.00 0.13 0.01 0.00 -0.56 0.00 0.00 56.30 55.89 1pww h ASN 242 Cb 0.46 0.38 -0.03 0.00 -1.06 0.00 0.00 38.32 38.07 1pww h ASN 242 CO 0.00 -0.34 -0.27 0.22 -1.06 0.00 0.00 177.43 175.99 1pww h TYR 243 N -0.38 -0.78 -0.61 1.19 5.03 -1.54 0.19 116.97 120.08 1pww h TYR 243 Ca 0.09 0.03 0.17 0.00 2.58 0.00 0.00 58.73 61.60 1pww h TYR 243 Cb 0.51 0.34 -0.02 0.00 1.55 0.00 0.00 36.73 39.11 1pww h TYR 243 CO -0.36 -0.28 0.44 0.52 -1.32 0.00 0.00 178.16 177.15 1pww h MET 244 N -0.32 0.01 0.39 1.82 2.86 -1.08 0.87 114.93 119.49 1pww h MET 244 Ca 0.01 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1pww h MET 244 Cb 0.35 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1pww h MET 244 CO -0.19 0.01 -0.19 0.22 1.06 0.00 0.00 176.91 177.82 1pww h ASP 245 N 0.01 -0.45 0.15 1.22 -0.00 0.98 -1.99 116.42 116.35 1pww h ASP 245 Ca 0.29 -0.11 -0.02 0.00 -0.00 0.00 0.00 57.03 57.19 1pww h ASP 245 Cb 1.15 0.12 -0.00 0.00 -0.00 0.00 0.00 39.33 40.59 1pww h ASP 245 CO -0.01 -0.02 -0.09 0.50 -0.00 0.00 0.00 179.24 179.62 1pww h LYS 246 N -1.00 0.00 0.25 0.28 3.64 0.06 -2.64 116.57 117.16 1pww h LYS 246 Ca -0.05 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1pww h LYS 246 Cb 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1pww h LYS 246 CO 0.09 0.09 -0.12 0.35 -2.27 0.00 0.00 179.45 177.59 1pww h PHE 247 N 0.00 -0.31 0.00 1.91 3.57 -0.84 -2.87 116.94 118.40 1pww h PHE 247 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1pww h PHE 247 Cb 0.19 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1pww h PHE 247 CO 0.00 -0.13 0.00 -0.91 -2.23 0.00 0.00 178.31 175.04 1pww h ASN 248 N -1.07 0.00 -0.02 0.41 2.35 -1.34 0.90 115.58 116.82 1pww h ASN 248 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1pww h ASN 248 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1pww h ASN 248 CO 0.06 0.00 -0.01 -0.62 -1.65 0.00 0.00 177.43 175.20 1pww n GLU 249 N -2.65 1.36 0.00 0.81 -0.58 -1.00 -4.81 120.64 113.77 1pww n GLU 249 Ca 0.00 -1.47 0.00 0.00 -0.42 0.00 0.00 57.16 55.27 1pww n GLU 249 Cb 0.19 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 1pww n GLU 249 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1pww n GLN 250 N 0.90 0.00 0.28 3.49 6.02 -1.00 -4.96 117.38 122.11 1pww n GLN 250 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1pww n GLN 250 Cb 0.42 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.68 1pww n GLN 250 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1pww n GLU 251 N -0.07 0.03 -0.23 -1.09 1.02 -1.10 -0.99 120.64 118.20 1pww n GLU 251 Ca 0.00 0.81 -0.03 0.00 -0.02 0.00 0.00 57.16 57.92 1pww n GLU 251 Cb 0.00 -2.30 0.16 0.00 -0.02 0.00 0.00 31.44 29.28 1pww n GLU 251 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1pww h ILE 252 N 0.00 1.23 -0.77 -3.67 6.09 -1.11 -2.35 117.51 116.92 1pww h ILE 252 Ca 0.00 -0.64 0.04 0.00 -1.37 0.00 0.00 64.86 62.89 1pww h ILE 252 Cb 1.76 0.28 -0.05 0.00 0.47 0.00 0.00 36.82 39.28 1pww h ILE 252 CO 0.00 0.27 0.48 -1.13 -3.07 0.00 0.00 178.15 174.70 1pww h ASN 253 N 1.04 0.77 -0.66 2.19 -1.24 -1.35 -1.08 115.58 115.26 1pww h ASN 253 Ca 0.26 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.25 1pww h ASN 253 Cb 0.10 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 38.96 1pww h ASN 253 CO -0.03 0.52 0.32 -0.07 -1.29 0.00 0.00 177.43 176.88 1pww h LEU 254 N 0.91 0.86 -0.78 0.34 3.38 -1.62 -0.55 115.31 117.86 1pww h LEU 254 Ca 0.32 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.23 1pww h LEU 254 Cb 0.08 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 1pww h LEU 254 CO -0.14 0.74 0.47 0.28 0.09 0.00 0.00 178.44 179.88 1pww h SER 255 N 0.91 0.72 0.17 -0.43 0.02 -0.91 0.61 113.55 114.65 1pww h SER 255 Ca 0.23 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1pww h SER 255 Cb 0.11 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1pww h SER 255 CO -0.03 0.46 -0.08 0.25 -1.14 0.00 0.00 176.83 176.29 1pww h LEU 256 N 0.85 -0.20 -0.99 5.07 6.46 -0.64 -1.66 115.31 124.21 1pww h LEU 256 Ca 0.34 0.01 0.19 0.00 -0.12 0.00 0.00 57.88 58.30 1pww h LEU 256 Cb 0.18 0.05 -0.18 0.00 -0.73 0.00 0.00 40.66 39.97 1pww h LEU 256 CO -0.18 -0.14 -0.26 1.21 -0.62 0.00 0.00 178.44 178.45 1pww n GLU 257 N -2.62 -0.11 -0.18 1.25 4.07 -0.27 0.02 120.64 122.80 1pww n GLU 257 Ca -0.03 1.54 0.01 0.00 -0.06 0.00 0.00 57.16 58.62 1pww n GLU 257 Cb 0.09 -2.29 0.26 0.00 -0.06 0.00 0.00 31.44 29.44 1pww n GLU 257 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1pww h GLU 258 N 0.00 0.93 -0.20 5.31 4.81 0.29 -1.54 114.58 124.17 1pww h GLU 258 Ca 0.46 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.47 1pww h GLU 258 Cb 0.70 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1pww h GLU 258 CO -1.01 0.63 -0.52 1.25 -0.73 0.00 0.00 179.01 178.63 1pww h LEU 259 N 0.95 0.63 -1.67 1.64 5.85 0.59 -2.75 115.31 120.55 1pww h LEU 259 Ca 0.25 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1pww h LEU 259 Cb -0.08 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1pww h LEU 259 CO -0.05 1.03 -0.06 0.11 -0.34 0.00 0.00 178.44 179.12 1pww h LYS 260 N 0.45 0.13 0.00 1.25 1.57 -0.11 -1.80 116.57 118.05 1pww h LYS 260 Ca 0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pww h LYS 260 Cb 1.05 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1pww h LYS 260 CO 0.10 0.20 0.00 -3.47 -0.57 0.00 0.00 179.45 175.71 1pww n ASP 261 N -4.39 0.00 -0.16 0.86 -0.08 -0.70 -1.96 116.55 110.12 1pww n ASP 261 Ca -0.02 0.11 0.12 0.00 -1.51 0.00 0.00 54.79 53.50 1pww n ASP 261 Cb 0.19 -0.33 0.14 0.00 2.34 0.00 0.00 41.12 43.45 1pww n ASP 261 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pww n GLN 262 N -1.33 0.45 -3.53 -0.67 1.13 -0.68 -4.86 117.38 107.89 1pww n GLN 262 Ca 0.08 -0.32 -0.38 0.00 -1.94 0.00 0.00 57.00 54.45 1pww n GLN 262 Cb 0.18 -1.49 -0.09 0.00 0.11 0.00 0.00 30.24 28.94 1pww n GLN 262 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1pww s ARG 263 N -2.77 4.07 0.00 -1.09 0.52 -0.83 -5.01 118.95 113.84 1pww s ARG 263 Ca 0.15 -0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.26 1pww s ARG 263 Cb 0.18 -3.58 0.00 0.00 0.52 0.00 0.00 34.95 32.07 1pww s ARG 263 CO 0.67 -0.06 0.99 -0.12 0.02 0.00 0.00 175.30 176.80 1pww n MET 264 N 4.64 0.00 -0.24 3.54 0.00 -1.26 -1.23 117.12 122.57 1pww n MET 264 Ca -0.12 0.75 0.32 0.00 -0.00 0.00 0.00 57.70 58.64 1pww n MET 264 Cb 0.52 -1.49 0.74 0.00 0.00 0.00 0.00 33.22 32.98 1pww n MET 264 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1pww h LEU 265 N 0.00 0.00 -0.09 -0.89 4.07 -1.95 0.49 115.31 116.94 1pww h LEU 265 Ca 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.84 1pww h LEU 265 Cb 0.00 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.75 1pww h LEU 265 CO 0.00 0.00 -0.42 0.28 -1.08 0.00 0.00 178.44 177.22 1pww h SER 266 N 0.00 0.53 -0.70 -0.43 0.02 -1.71 -1.66 113.55 109.59 1pww h SER 266 Ca 0.49 -0.64 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 1pww h SER 266 Cb 1.97 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 64.32 1pww h SER 266 CO -0.01 1.08 0.36 0.03 -1.14 0.00 0.00 176.83 177.15 1pww h ARG 267 N 0.01 1.00 -0.34 3.45 3.08 0.49 -2.13 114.38 119.93 1pww h ARG 267 Ca -0.03 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 59.77 1pww h ARG 267 Cb 1.06 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 1pww h ARG 267 CO 0.09 0.78 -0.25 -0.92 -1.07 0.00 0.00 179.97 178.59 1pww h TYR 268 N 0.98 0.91 -0.27 3.04 3.20 -1.30 -2.38 116.97 121.15 1pww h TYR 268 Ca 0.24 -0.25 0.03 0.00 3.14 0.00 0.00 58.73 61.89 1pww h TYR 268 Cb 0.09 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 1pww h TYR 268 CO 0.00 1.01 0.10 1.49 -1.64 0.00 0.00 178.16 179.12 1pww h GLU 269 N 0.55 0.22 -0.00 1.82 4.81 -1.13 -0.91 114.58 119.95 1pww h GLU 269 Ca 0.07 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1pww h GLU 269 Cb 0.82 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.11 1pww h GLU 269 CO 0.07 0.15 -0.21 -0.22 -0.73 0.00 0.00 179.01 178.07 1pww h LYS 270 N 0.23 -0.32 -0.57 1.92 3.64 -1.34 -1.92 116.57 118.22 1pww h LYS 270 Ca 0.12 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.63 1pww h LYS 270 Cb 0.07 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 31.86 1pww h LYS 270 CO -0.11 -0.21 -0.16 2.35 -2.27 0.00 0.00 179.45 179.05 1pww h TRP 271 N -0.33 -0.34 -0.32 1.91 2.91 -1.01 -1.45 115.95 117.32 1pww h TRP 271 Ca 0.06 0.05 0.07 0.00 1.13 0.00 0.00 58.89 60.20 1pww h TRP 271 Cb 0.41 0.24 -0.08 0.00 -0.51 0.00 0.00 29.16 29.22 1pww h TRP 271 CO -0.25 -0.26 -0.19 0.93 -1.03 0.00 0.00 178.44 177.64 1pww h GLU 272 N -0.02 -0.14 -0.46 2.65 4.39 -0.42 0.31 114.58 120.90 1pww h GLU 272 Ca 0.27 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.87 1pww h GLU 272 Cb 0.43 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1pww h GLU 272 CO -0.59 -0.09 -0.16 0.87 -1.16 0.00 0.00 179.01 177.87 1pww h LYS 273 N -0.15 0.88 -0.56 2.33 1.57 -0.78 0.59 116.57 120.46 1pww h LYS 273 Ca 0.17 -0.33 -0.09 0.00 -1.87 0.00 0.00 60.65 58.52 1pww h LYS 273 Cb 0.40 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1pww h LYS 273 CO -0.41 0.97 -0.01 0.82 -0.57 0.00 0.00 179.45 180.26 1pww h ILE 274 N 0.78 1.26 -0.45 1.86 1.08 -0.93 -1.00 117.51 120.11 1pww h ILE 274 Ca 0.12 -1.13 -0.12 0.00 -0.39 0.00 0.00 64.86 63.34 1pww h ILE 274 Cb 0.69 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 1pww h ILE 274 CO 0.05 0.40 -0.19 0.50 -0.69 0.00 0.00 178.15 178.23 1pww h LYS 275 N 0.87 0.93 0.41 2.37 3.64 -0.03 -2.90 116.57 121.86 1pww h LYS 275 Ca 0.16 -0.39 -0.02 0.00 -1.27 0.00 0.00 60.65 59.12 1pww h LYS 275 Cb 0.55 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1pww h LYS 275 CO 0.03 1.05 -0.20 0.37 -2.27 0.00 0.00 179.45 178.43 1pww h GLN 276 N 0.77 -0.53 -0.79 1.90 4.15 0.35 -2.46 115.11 118.49 1pww h GLN 276 Ca 0.11 0.04 0.28 0.00 0.77 0.00 0.00 58.65 59.84 1pww h GLN 276 Cb 0.76 0.12 -0.14 0.00 0.21 0.00 0.00 27.48 28.42 1pww h GLN 276 CO 0.06 -0.36 0.25 1.58 -1.93 0.00 0.00 178.83 178.43 1pww n HIS 277 N -3.68 0.74 0.81 3.99 -0.00 -0.39 0.14 115.22 116.84 1pww n HIS 277 Ca -0.07 0.94 0.09 0.00 0.46 0.00 0.00 57.72 59.14 1pww n HIS 277 Cb 0.22 -1.24 0.26 0.00 -0.12 0.00 0.00 29.99 29.12 1pww n HIS 277 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1pww n TYR 278 N -4.92 0.43 0.16 1.57 4.02 -1.10 -4.56 117.16 112.77 1pww n TYR 278 Ca 0.25 -0.22 -0.17 0.00 -0.01 0.00 0.00 57.90 57.76 1pww n TYR 278 Cb 0.84 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 40.06 1pww n TYR 278 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1pww h GLN 279 N 2.64 -0.78 -0.92 -0.72 5.75 0.18 0.19 115.11 121.45 1pww h GLN 279 Ca 0.00 0.05 0.19 0.00 -0.15 0.00 0.00 58.65 58.74 1pww h GLN 279 Cb 0.59 0.18 -0.11 0.00 1.07 0.00 0.00 27.48 29.21 1pww h GLN 279 CO 0.00 -0.52 0.49 1.25 -2.65 0.00 0.00 178.83 177.39 1pww h HIS 280 N -0.81 0.84 -0.04 3.99 2.76 -1.80 0.72 115.15 120.81 1pww h HIS 280 Ca -0.02 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1pww h HIS 280 Cb 0.78 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 29.51 1pww h HIS 280 CO -0.39 0.12 0.02 2.35 -1.30 0.00 0.00 177.93 178.74 1pww h TRP 281 N 0.60 0.06 -0.87 5.26 7.01 -1.71 -2.20 115.95 124.10 1pww h TRP 281 Ca 0.54 -0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.64 1pww h TRP 281 Cb 0.88 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.86 1pww h TRP 281 CO -0.07 0.14 0.56 0.77 -2.79 0.00 0.00 178.44 177.05 1pww h SER 282 N -0.04 0.74 -0.07 2.65 0.02 0.28 -1.01 113.55 116.12 1pww h SER 282 Ca 0.01 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1pww h SER 282 Cb 0.10 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1pww h SER 282 CO -0.00 0.42 0.00 0.47 -1.14 0.00 0.00 176.83 176.58 1pww n ASP 283 N -4.53 0.72 -0.42 3.07 8.00 0.21 -3.24 116.55 120.36 1pww n ASP 283 Ca 0.15 -1.56 0.04 0.00 0.71 0.00 0.00 54.79 54.13 1pww n ASP 283 Cb 0.35 -0.05 0.07 0.00 -0.02 0.00 0.00 41.12 41.47 1pww n ASP 283 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1pww n SER 284 N -0.30 2.19 -4.63 -2.24 3.41 -0.39 -4.99 113.62 106.67 1pww n SER 284 Ca 0.14 -1.66 -0.43 0.00 -0.26 0.00 0.00 58.87 56.67 1pww n SER 284 Cb 0.18 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.02 1pww n SER 284 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1pww s LEU 285 N -0.85 3.88 1.00 1.04 1.43 -1.19 -4.99 118.68 118.99 1pww s LEU 285 Ca 0.14 1.51 -0.12 0.00 -1.03 0.00 0.00 54.13 54.63 1pww s LEU 285 Cb 0.08 -3.53 0.19 0.00 0.03 0.00 0.00 46.19 42.96 1pww s LEU 285 CO 0.11 -1.24 1.09 -0.94 0.23 0.00 0.00 176.35 175.61 1pww s SER 286 N 3.99 2.63 0.35 2.29 1.04 -1.26 -4.78 113.70 117.96 1pww s SER 286 Ca 0.68 1.19 0.09 0.00 0.48 0.00 0.00 55.95 58.40 1pww s SER 286 Cb -0.23 -1.86 0.66 0.00 0.10 0.00 0.00 66.02 64.69 1pww s SER 286 CO 0.28 -3.13 1.83 -0.08 0.98 0.00 0.00 173.24 173.12 1pww h GLU 287 N -1.89 0.19 -0.56 4.02 4.81 -1.99 -2.24 114.58 116.92 1pww h GLU 287 Ca -0.54 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 58.52 1pww h GLU 287 Cb 1.33 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 1pww h GLU 287 CO 0.57 0.46 -0.03 1.49 -0.73 0.00 0.00 179.01 180.77 1pww h GLU 288 N 0.17 1.01 0.30 1.92 4.81 -1.98 -0.92 114.58 119.90 1pww h GLU 288 Ca 0.03 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 58.90 1pww h GLU 288 Cb 0.57 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1pww h GLU 288 CO 0.04 1.02 -0.18 0.78 -0.73 0.00 0.00 179.01 179.95 1pww h GLY 289 N 0.90 -0.65 -0.56 1.92 0.00 -1.76 0.56 103.07 103.48 1pww h GLY 289 Ca 0.15 0.26 0.35 0.00 0.00 0.00 0.00 47.33 48.10 1pww h GLY 289 CO 0.04 -0.23 0.81 3.21 0.00 0.00 0.00 176.54 180.37 1pww h ARG 290 N -0.45 0.18 -0.06 4.80 3.08 -1.45 0.65 114.38 121.13 1pww h ARG 290 Ca -0.04 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1pww h ARG 290 Cb 0.36 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1pww h ARG 290 CO 0.05 0.12 0.04 0.78 -1.07 0.00 0.00 179.97 179.89 1pww h GLY 291 N 0.19 0.09 0.53 0.04 0.00 -0.17 -1.56 103.07 102.18 1pww h GLY 291 Ca 0.67 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.94 1pww h GLY 291 CO -0.23 0.03 -0.37 1.41 0.00 0.00 0.00 176.54 177.38 1pww h LEU 292 N 0.08 -0.97 -0.89 3.11 3.38 0.25 -2.25 115.31 118.02 1pww h LEU 292 Ca 0.02 0.06 0.24 0.00 0.09 0.00 0.00 57.88 58.29 1pww h LEU 292 Cb 0.00 0.29 -0.14 0.00 0.09 0.00 0.00 40.66 40.91 1pww h LEU 292 CO -0.00 -0.55 0.32 -0.07 0.09 0.00 0.00 178.44 178.23 1pww h LEU 293 N -0.86 0.15 -0.52 1.67 3.38 -1.38 0.23 115.31 117.99 1pww h LEU 293 Ca -0.07 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1pww h LEU 293 Cb 0.70 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1pww h LEU 293 CO 0.04 -0.10 0.24 0.50 0.09 0.00 0.00 178.44 179.20 1pww h LYS 294 N 0.28 0.76 -0.73 1.13 3.64 -1.15 -2.56 116.57 117.94 1pww h LYS 294 Ca 0.57 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.81 1pww h LYS 294 Cb 1.14 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.79 1pww h LYS 294 CO -0.61 0.64 0.39 -0.22 -2.27 0.00 0.00 179.45 177.39 1pww h LYS 295 N 0.69 1.02 -0.90 1.90 3.64 0.00 -1.40 116.57 121.53 1pww h LYS 295 Ca 0.18 -0.12 0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1pww h LYS 295 Cb 0.14 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 31.70 1pww h LYS 295 CO -0.02 0.75 0.56 1.25 -2.27 0.00 0.00 179.45 179.72 1pww h LEU 296 N 1.02 0.88 0.12 5.20 5.85 -0.75 -2.95 115.31 124.68 1pww h LEU 296 Ca 0.26 0.02 -0.21 0.00 0.84 0.00 0.00 57.88 58.78 1pww h LEU 296 Cb 0.04 -0.16 0.02 0.00 0.37 0.00 0.00 40.66 40.93 1pww h LEU 296 CO -0.04 0.55 -0.91 1.56 -0.34 0.00 0.00 178.44 179.26 1pww h GLN 297 N 1.01 0.41 -4.76 1.25 4.20 -1.12 -3.43 115.11 112.66 1pww h GLN 297 Ca 0.39 -0.60 -0.68 0.00 0.06 0.00 0.00 58.65 57.82 1pww h GLN 297 Cb 0.20 0.21 -0.27 0.00 0.30 0.00 0.00 27.48 27.92 1pww h GLN 297 CO -0.18 1.26 -0.61 0.42 -0.67 0.00 0.00 178.83 179.04 1pww s ILE 298 N -2.72 3.95 0.52 2.54 -1.09 -0.56 -5.10 121.20 118.74 1pww s ILE 298 Ca -0.12 -0.80 -0.19 0.00 -2.23 0.00 0.00 60.65 57.30 1pww s ILE 298 Cb 0.03 -3.09 -0.07 0.00 -1.58 0.00 0.00 42.46 37.75 1pww s ILE 298 CO 0.86 0.00 1.07 -2.84 -1.23 0.00 0.00 174.94 172.80 1pww s PRO 299 N 1.48 3.58 -0.25 2.79 0.02 -1.25 -4.47 135.00 136.90 1pww s PRO 299 Ca 0.02 1.40 -0.23 0.00 0.02 0.00 0.00 61.00 62.20 1pww s PRO 299 Cb -0.18 -2.06 -0.01 0.00 0.02 0.00 0.00 34.50 32.28 1pww s PRO 299 CO 0.03 -0.62 0.77 0.42 -0.33 0.00 0.00 177.00 177.26 1pww s ILE 300 N -2.02 4.88 0.49 2.83 -1.09 -0.96 -4.88 121.20 120.45 1pww s ILE 300 Ca 0.68 1.42 -0.19 0.00 -2.23 0.00 0.00 60.65 60.34 1pww s ILE 300 Cb -0.18 -4.06 -0.08 0.00 -1.58 0.00 0.00 42.46 36.55 1pww s ILE 300 CO 0.25 -0.05 0.99 -1.61 -1.23 0.00 0.00 174.94 173.29 1pww s GLU 301 N 2.75 3.94 0.40 2.79 0.41 -1.26 -0.76 118.70 126.96 1pww s GLU 301 Ca 0.32 1.11 -0.26 0.00 -0.41 0.00 0.00 54.97 55.74 1pww s GLU 301 Cb -0.15 -2.13 -0.09 0.00 -1.78 0.00 0.00 34.13 29.98 1pww s GLU 301 CO 0.08 -0.29 1.26 -2.14 -0.49 0.00 0.00 175.26 173.68 1pww s PRO 302 N -3.63 4.03 -0.35 0.39 0.02 -1.26 -4.92 135.00 129.28 1pww s PRO 302 Ca 0.62 2.06 -0.15 0.00 0.02 0.00 0.00 61.00 63.54 1pww s PRO 302 Cb -0.11 -2.76 -0.01 0.00 0.02 0.00 0.00 34.50 31.64 1pww s PRO 302 CO 0.24 -0.41 0.37 0.21 -0.33 0.00 0.00 177.00 177.08 1pww s LYS 303 N -2.21 3.53 0.13 5.54 2.20 -1.26 -5.00 119.74 122.67 1pww s LYS 303 Ca 0.56 -0.43 -0.19 0.00 -0.36 0.00 0.00 55.97 55.55 1pww s LYS 303 Cb -0.36 -3.82 0.02 0.00 -1.51 0.00 0.00 37.83 32.16 1pww s LYS 303 CO 0.46 -0.55 1.10 0.36 -0.36 0.00 0.00 175.35 176.36 1pww n LYS 304 N 5.41 -0.27 0.06 4.03 0.00 -1.26 -1.36 118.16 124.77 1pww n LYS 304 Ca -0.09 1.08 -0.08 0.00 -0.00 0.00 0.00 58.31 59.22 1pww n LYS 304 Cb 0.49 -1.60 0.05 0.00 -0.00 0.00 0.00 35.03 33.98 1pww n LYS 304 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1pww h ASP 305 N 0.00 0.41 -0.79 -5.58 3.04 -2.00 -2.88 116.42 108.62 1pww h ASP 305 Ca 0.15 -0.26 0.16 0.00 -3.24 0.00 0.00 57.03 53.84 1pww h ASP 305 Cb 0.33 -0.12 -0.10 0.00 -1.04 0.00 0.00 39.33 38.40 1pww h ASP 305 CO -0.68 0.98 0.32 0.44 -2.04 0.00 0.00 179.24 178.25 1pww h ASP 306 N 0.24 0.29 -0.75 4.15 3.32 -1.64 0.27 116.42 122.31 1pww h ASP 306 Ca -0.02 0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.18 1pww h ASP 306 Cb 1.25 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.85 1pww h ASP 306 CO 0.12 0.09 0.47 0.40 -1.72 0.00 0.00 179.24 178.59 1pww h ILE 307 N 0.44 1.10 0.35 0.35 1.08 -1.19 -3.10 117.51 116.54 1pww h ILE 307 Ca 0.44 -0.31 -0.02 0.00 -0.39 0.00 0.00 64.86 64.58 1pww h ILE 307 Cb 0.71 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.57 1pww h ILE 307 CO -0.43 0.17 -0.17 0.40 -0.69 0.00 0.00 178.15 177.43 1pww h ILE 308 N 0.91 0.66 -0.99 -0.67 2.04 -0.34 -3.09 117.51 116.04 1pww h ILE 308 Ca 0.30 -0.31 0.23 0.00 1.00 0.00 0.00 64.86 66.08 1pww h ILE 308 Cb 0.03 0.82 -0.09 0.00 -0.74 0.00 0.00 36.82 36.84 1pww h ILE 308 CO -0.11 0.06 0.63 0.45 0.00 0.00 0.00 178.15 179.18 1pww h HIS 309 N -0.65 0.72 0.00 1.37 3.86 -1.32 0.58 115.15 119.71 1pww h HIS 309 Ca -0.05 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1pww h HIS 309 Cb 0.46 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1pww h HIS 309 CO -0.01 0.13 0.00 0.66 0.86 0.00 0.00 177.93 179.57 1pww h SER 310 N 0.49 0.00 -4.03 2.45 4.64 -1.47 -3.43 113.55 112.19 1pww h SER 310 Ca 0.55 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 61.36 1pww h SER 310 Cb 1.25 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.41 1pww h SER 310 CO -0.28 0.00 0.47 -0.76 -0.87 0.00 0.00 176.83 175.40 1pww s LEU 311 N -5.71 3.90 0.57 5.97 1.43 0.20 -5.04 118.68 120.00 1pww s LEU 311 Ca -0.00 2.30 -0.00 0.00 -1.03 0.00 0.00 54.13 55.39 1pww s LEU 311 Cb 0.10 -4.37 0.03 0.00 0.03 0.00 0.00 46.19 41.99 1pww s LEU 311 CO 0.45 -1.08 0.81 -0.94 0.23 0.00 0.00 176.35 175.82 1pww s SER 312 N -1.47 5.26 0.16 2.29 1.04 -1.26 -4.87 113.70 114.85 1pww s SER 312 Ca 0.68 0.12 -0.15 0.00 0.48 0.00 0.00 55.95 57.08 1pww s SER 312 Cb -0.28 -1.01 0.05 0.00 0.10 0.00 0.00 66.02 64.88 1pww s SER 312 CO 0.33 -1.17 1.81 1.56 0.98 0.00 0.00 173.24 176.74 1pww h GLN 313 N -0.02 0.51 -0.33 4.02 1.08 -1.97 -1.25 115.11 117.15 1pww h GLN 313 Ca -0.43 -0.03 0.07 0.00 -1.45 0.00 0.00 58.65 56.81 1pww h GLN 313 Cb 1.29 -0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 28.54 1pww h GLN 313 CO 0.54 0.34 -0.10 1.49 -0.95 0.00 0.00 178.83 180.15 1pww h GLU 314 N 0.52 -0.02 -0.18 1.46 4.22 -2.01 -2.52 114.58 116.06 1pww h GLU 314 Ca 0.17 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.64 1pww h GLU 314 Cb -0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1pww h GLU 314 CO -0.07 -0.01 0.01 0.93 -2.18 0.00 0.00 179.01 177.69 1pww h GLU 315 N -0.02 0.07 -0.18 1.92 5.08 -1.79 -1.08 114.58 118.58 1pww h GLU 315 Ca 0.16 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.57 1pww h GLU 315 Cb 0.27 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1pww h GLU 315 CO -0.35 0.05 0.27 0.87 -1.00 0.00 0.00 179.01 178.85 1pww h LYS 316 N 0.07 0.00 0.24 2.33 1.57 -0.86 -1.02 116.57 118.91 1pww h LYS 316 Ca 0.08 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1pww h LYS 316 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1pww h LYS 316 CO -0.13 0.00 -0.12 1.49 -0.57 0.00 0.00 179.45 180.12 1pww h GLU 317 N 0.00 -0.31 -0.75 3.15 4.57 -0.80 -3.18 114.58 117.26 1pww h GLU 317 Ca 0.09 0.02 0.19 0.00 -1.18 0.00 0.00 59.36 58.48 1pww h GLU 317 Cb 0.63 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.25 1pww h GLU 317 CO -0.00 -0.07 0.52 -0.07 -1.18 0.00 0.00 179.01 178.21 1pww h LEU 318 N -1.03 0.18 -1.37 1.64 3.38 -0.92 0.53 115.31 117.71 1pww h LEU 318 Ca -0.03 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1pww h LEU 318 Cb 0.39 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1pww h LEU 318 CO 0.05 0.08 -0.30 0.25 0.09 0.00 0.00 178.44 178.62 1pww h LEU 319 N 0.18 0.03 -0.05 1.67 5.85 -1.27 0.16 115.31 121.88 1pww h LEU 319 Ca 0.37 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.92 1pww h LEU 319 Cb 1.18 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 42.21 1pww h LEU 319 CO -0.07 0.33 -0.59 0.11 -0.34 0.00 0.00 178.44 177.88 1pww h LYS 320 N 0.02 0.49 0.00 1.25 1.57 -0.87 -3.36 116.57 115.67 1pww h LYS 320 Ca 0.00 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1pww h LYS 320 Cb 0.54 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1pww h LYS 320 CO 0.04 1.10 -1.00 0.54 -0.57 0.00 0.00 179.45 179.56 1pww n ARG 321 N -4.19 0.50 -2.43 3.15 1.74 -1.14 -4.93 116.66 109.36 1pww n ARG 321 Ca -0.09 0.08 -0.41 0.00 -0.77 0.00 0.00 57.85 56.65 1pww n ARG 321 Cb 0.66 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 1pww n ARG 321 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1pww s ILE 322 N -3.31 3.80 -0.49 0.55 2.07 0.55 -4.99 121.20 119.38 1pww s ILE 322 Ca 0.01 1.45 -0.17 0.00 -1.41 0.00 0.00 60.65 60.53 1pww s ILE 322 Cb 0.11 -3.92 0.07 0.00 0.13 0.00 0.00 42.46 38.85 1pww s ILE 322 CO 0.79 0.20 0.49 -1.58 -1.91 0.00 0.00 174.94 172.93 1pww s GLN 323 N 0.13 3.03 0.60 3.50 0.74 -1.26 -4.92 119.66 121.48 1pww s GLN 323 Ca 0.54 -1.21 0.30 0.00 0.05 0.00 0.00 55.36 55.03 1pww s GLN 323 Cb -0.31 -4.14 1.70 0.00 1.10 0.00 0.00 33.01 31.37 1pww s GLN 323 CO 0.34 -1.13 2.10 0.82 -0.55 0.00 0.00 175.29 176.87 1pww h ILE 324 N 5.80 0.40 0.00 -2.34 2.04 -1.97 -1.96 117.51 119.49 1pww h ILE 324 Ca -0.28 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1pww h ILE 324 Cb 1.10 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1pww h ILE 324 CO 0.93 0.00 0.00 0.47 0.00 0.00 0.00 178.15 179.55 1pww n ASP 325 N -3.68 0.00 -0.52 1.72 8.00 -1.26 -3.05 116.55 117.76 1pww n ASP 325 Ca 0.01 -1.23 0.08 0.00 0.71 0.00 0.00 54.79 54.36 1pww n ASP 325 Cb 0.32 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.46 1pww n ASP 325 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1pww n SER 326 N -0.71 2.02 -4.75 -2.24 7.64 -0.74 -4.95 113.62 109.89 1pww n SER 326 Ca 0.08 -1.51 -0.36 0.00 1.01 0.00 0.00 58.87 58.09 1pww n SER 326 Cb 0.04 0.20 -0.08 0.00 -1.01 0.00 0.00 64.21 63.35 1pww n SER 326 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1pww s SER 327 N -1.55 5.91 0.00 6.43 1.04 -1.17 -4.99 113.70 119.38 1pww s SER 327 Ca 0.16 0.26 0.19 0.00 0.48 0.00 0.00 55.95 57.04 1pww s SER 327 Cb 0.13 -1.92 0.54 0.00 0.10 0.00 0.00 66.02 64.87 1pww s SER 327 CO 0.28 0.30 1.44 -0.90 0.98 0.00 0.00 173.24 175.34 1pww n ASP 328 N 2.67 2.51 -2.38 7.02 5.68 -1.26 -4.41 116.55 126.38 1pww n ASP 328 Ca -0.18 -1.90 -0.29 0.00 -0.50 0.00 0.00 54.79 51.92 1pww n ASP 328 Cb 0.53 -0.23 0.02 0.00 -1.14 0.00 0.00 41.12 40.31 1pww n ASP 328 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 1pww n PHE 329 N 0.87 3.13 -3.71 2.11 1.16 -1.26 -4.96 117.46 114.79 1pww n PHE 329 Ca 0.17 -2.71 -0.12 0.00 -1.87 0.00 0.00 57.45 52.92 1pww n PHE 329 Cb 0.44 -0.47 -0.12 0.00 -1.61 0.00 0.00 39.48 37.71 1pww n PHE 329 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1pww s LEU 330 N -3.67 0.17 0.78 5.98 1.43 -1.26 -4.96 118.68 117.14 1pww s LEU 330 Ca 0.51 0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 54.19 1pww s LEU 330 Cb 0.42 0.99 0.06 0.00 0.03 0.00 0.00 46.19 47.69 1pww s LEU 330 CO -0.13 -0.18 1.08 -0.94 0.23 0.00 0.00 176.35 176.41 1pww s SER 331 N 1.37 4.55 0.08 2.29 1.04 -1.26 -4.68 113.70 117.10 1pww s SER 331 Ca -0.09 1.69 -0.16 0.00 0.48 0.00 0.00 55.95 57.87 1pww s SER 331 Cb -0.10 -2.43 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 1pww s SER 331 CO -0.10 -1.99 1.14 0.41 0.98 0.00 0.00 173.24 173.69 1pww n THR 332 N -3.48 -0.36 -0.05 2.02 -1.04 -1.26 -0.42 114.28 109.69 1pww n THR 332 Ca 0.08 1.77 -0.08 0.00 -2.04 0.00 0.00 64.05 63.78 1pww n THR 332 Cb 0.54 -2.24 -0.02 0.00 -1.82 0.00 0.00 70.33 66.79 1pww n THR 332 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1pww h GLU 333 N 0.00 0.14 -0.47 -2.82 5.08 -1.98 -0.92 114.58 113.62 1pww h GLU 333 Ca 0.08 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.55 1pww h GLU 333 Cb 0.21 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1pww h GLU 333 CO -0.49 0.10 0.33 0.93 -1.00 0.00 0.00 179.01 178.88 1pww h GLU 334 N 0.15 0.13 0.01 2.33 5.08 -1.35 0.13 114.58 121.06 1pww h GLU 334 Ca 0.10 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1pww h GLU 334 Cb 0.09 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1pww h GLU 334 CO -0.13 0.09 -0.13 0.87 -1.00 0.00 0.00 179.01 178.71 1pww h LYS 335 N 0.14 0.06 -0.51 2.33 1.57 -0.25 -2.64 116.57 117.27 1pww h LYS 335 Ca 0.22 -0.09 0.15 0.00 -1.87 0.00 0.00 60.65 59.07 1pww h LYS 335 Cb 0.71 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1pww h LYS 335 CO -0.03 0.95 0.53 0.93 -0.57 0.00 0.00 179.45 181.26 1pww h GLU 336 N -0.79 0.00 0.08 3.15 4.39 -0.01 -1.63 114.58 119.78 1pww h GLU 336 Ca -0.02 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.42 1pww h GLU 336 Cb 1.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 1pww h GLU 336 CO 0.02 0.00 -1.35 0.35 -1.16 0.00 0.00 179.01 176.87 1pww h PHE 337 N 0.00 0.32 0.00 4.33 3.57 -0.79 -3.32 116.94 121.05 1pww h PHE 337 Ca 0.24 -0.23 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1pww h PHE 337 Cb 1.29 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 40.02 1pww h PHE 337 CO 0.00 1.53 -0.02 -0.07 -2.23 0.00 0.00 178.31 177.52 1pww h LEU 338 N -0.46 0.00 -0.36 0.59 3.38 -0.97 -1.99 115.31 115.50 1pww h LEU 338 Ca -0.31 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.48 1pww h LEU 338 Cb 1.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 1pww h LEU 338 CO -0.00 0.02 -0.58 0.11 0.09 0.00 0.00 178.44 178.08 1pww h LYS 339 N 0.00 0.75 -0.65 1.13 1.57 -1.46 -1.81 116.57 116.10 1pww h LYS 339 Ca -0.00 -0.50 -0.08 0.00 -1.87 0.00 0.00 60.65 58.21 1pww h LYS 339 Cb 0.36 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1pww h LYS 339 CO 0.00 1.12 0.10 0.87 -0.57 0.00 0.00 179.45 180.98 1pww h LYS 340 N 0.57 1.07 -0.18 3.15 1.57 -1.47 0.11 116.57 121.38 1pww h LYS 340 Ca 0.00 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1pww h LYS 340 Cb 1.17 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1pww h LYS 340 CO 0.12 0.98 0.10 -0.07 -0.57 0.00 0.00 179.45 180.01 1pww h LEU 341 N 1.00 0.15 -0.61 2.94 3.38 -1.34 0.11 115.31 120.95 1pww h LEU 341 Ca 0.20 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.28 1pww h LEU 341 Cb 0.43 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.07 1pww h LEU 341 CO 0.01 0.12 0.18 -0.61 0.09 0.00 0.00 178.44 178.22 1pww h GLN 342 N 0.21 0.32 -0.82 1.13 4.15 -0.87 0.62 115.11 119.84 1pww h GLN 342 Ca 0.07 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 1pww h GLN 342 Cb 0.01 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.59 1pww h GLN 342 CO -0.04 0.21 0.37 0.82 -1.93 0.00 0.00 178.83 178.26 1pww h ILE 343 N 0.33 1.26 -0.28 2.39 1.08 -0.20 -0.81 117.51 121.28 1pww h ILE 343 Ca 0.32 -0.74 -0.03 0.00 -0.39 0.00 0.00 64.86 64.01 1pww h ILE 343 Cb 0.44 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 1pww h ILE 343 CO -0.36 0.31 0.05 0.44 -0.69 0.00 0.00 178.15 177.90 1pww h ASP 344 N 1.17 0.43 1.09 1.72 3.45 0.11 -2.38 116.42 122.02 1pww h ASP 344 Ca 0.28 -0.25 -0.02 0.00 0.43 0.00 0.00 57.03 57.47 1pww h ASP 344 Cb 0.14 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 38.80 1pww h ASP 344 CO -0.03 0.57 -0.08 0.40 -1.57 0.00 0.00 179.24 178.52 1pww h ILE 345 N 0.27 0.20 -0.00 0.35 2.04 -0.79 -2.63 117.51 116.95 1pww h ILE 345 Ca 0.09 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1pww h ILE 345 Cb 0.31 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1pww h ILE 345 CO 0.00 0.08 -0.20 0.54 0.00 0.00 0.00 178.15 178.58 1pww n ARG 346 N -3.20 0.49 0.20 2.37 1.74 -0.33 -4.19 116.66 113.75 1pww n ARG 346 Ca 0.01 -0.21 -0.13 0.00 -0.77 0.00 0.00 57.85 56.75 1pww n ARG 346 Cb 0.37 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.25 1pww n ARG 346 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1pww h ASP 347 N 0.51 -0.45 -3.22 0.55 3.58 -1.04 -3.46 116.42 112.89 1pww h ASP 347 Ca 0.00 -0.13 -0.45 0.00 0.42 0.00 0.00 57.03 56.87 1pww h ASP 347 Cb 0.43 0.12 0.15 0.00 1.72 0.00 0.00 39.33 41.75 1pww h ASP 347 CO 0.00 -0.05 0.32 -0.44 -2.88 0.00 0.00 179.24 176.19 1pww s SER 348 N -4.96 3.27 0.00 2.28 0.01 -1.26 -5.14 113.70 107.89 1pww s SER 348 Ca -0.13 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.05 1pww s SER 348 Cb 0.02 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.27 1pww s SER 348 CO 0.47 -2.61 0.00 0.18 0.41 0.00 0.00 173.24 171.69 1pww n LEU 349 N -3.54 0.00 -2.23 2.44 4.77 -1.26 -5.04 117.00 112.14 1pww n LEU 349 Ca 0.17 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.89 1pww n LEU 349 Cb 0.60 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.70 1pww n LEU 349 CO 0.43 0.00 0.29 -1.20 -1.33 0.00 0.00 177.39 175.57 1pww n SER 365 N 0.58 5.06 0.00 -1.43 7.64 -1.26 -5.18 113.62 119.03 1pww n SER 365 Ca 0.00 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.14 1pww n SER 365 Cb 0.00 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 1pww n SER 365 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1pww n ASN 366 N -0.63 0.00 -3.28 6.43 3.02 -1.26 -5.08 115.26 114.45 1pww n ASN 366 Ca 0.43 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.72 1pww n ASN 366 Cb 0.82 0.00 0.25 0.00 -0.61 0.00 0.00 39.78 40.25 1pww n ASN 366 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1pww n PRO 367 N 0.00 -3.98 -2.83 3.52 -0.02 -1.26 -5.00 135.00 125.44 1pww n PRO 367 Ca 0.00 -1.25 -0.11 0.00 -2.02 0.00 0.00 63.50 60.13 1pww n PRO 367 Cb 0.00 -1.75 0.06 0.00 -0.02 0.00 0.00 33.50 31.79 1pww n PRO 367 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1pww n LEU 368 N 0.00 -1.53 0.00 2.45 4.77 -1.26 -5.06 117.00 116.37 1pww n LEU 368 Ca 0.12 -3.97 0.00 0.00 -0.03 0.00 0.00 56.01 52.13 1pww n LEU 368 Cb 0.51 0.81 0.00 0.00 -2.33 0.00 0.00 43.42 42.41 1pww n LEU 368 CO 0.34 2.10 0.00 -1.54 -1.33 0.00 0.00 177.39 176.96 1pww n SER 369 N 0.26 0.00 -0.34 -1.43 3.41 -1.26 -3.79 113.62 110.46 1pww n SER 369 Ca 0.09 0.00 0.28 0.00 -0.26 0.00 0.00 58.87 58.99 1pww n SER 369 Cb 0.71 0.00 0.60 0.00 -0.26 0.00 0.00 64.21 65.25 1pww n SER 369 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1pww h GLU 370 N 0.00 0.23 -0.44 4.33 -0.00 -2.00 0.61 114.58 117.32 1pww h GLU 370 Ca 0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 59.36 59.27 1pww h GLU 370 Cb 0.00 -0.05 -0.01 0.00 -0.00 0.00 0.00 28.75 28.68 1pww h GLU 370 CO 0.00 0.16 -0.03 0.87 -0.00 0.00 0.00 179.01 180.00 1pww h LYS 371 N 0.24 0.79 -0.55 1.06 1.57 -1.99 -2.35 116.57 115.35 1pww h LYS 371 Ca 0.62 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 59.09 1pww h LYS 371 Cb 1.88 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 34.11 1pww h LYS 371 CO -0.24 0.88 0.17 0.93 -0.57 0.00 0.00 179.45 180.62 1pww h GLU 372 N 0.63 0.86 -0.52 3.15 5.08 -0.01 0.81 114.58 124.57 1pww h GLU 372 Ca 0.12 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1pww h GLU 372 Cb 0.54 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1pww h GLU 372 CO 0.03 0.78 0.26 0.87 -1.00 0.00 0.00 179.01 179.95 1pww h LYS 373 N 0.77 0.75 0.00 2.33 1.57 -1.33 0.65 116.57 121.31 1pww h LYS 373 Ca 0.18 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1pww h LYS 373 Cb 0.29 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1pww h LYS 373 CO -0.00 0.62 -0.31 1.49 -0.57 0.00 0.00 179.45 180.67 1pww h GLU 374 N 0.70 0.00 -0.06 3.15 4.81 -1.19 -0.58 114.58 121.40 1pww h GLU 374 Ca 0.18 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.21 1pww h GLU 374 Cb 0.11 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.50 1pww h GLU 374 CO -0.02 0.31 -0.74 0.35 -0.73 0.00 0.00 179.01 178.18 1pww h PHE 375 N 0.00 0.85 -0.25 0.92 3.57 0.03 -2.73 116.94 119.33 1pww h PHE 375 Ca -0.00 -0.42 -0.08 0.00 3.53 0.00 0.00 57.97 61.00 1pww h PHE 375 Cb 0.63 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1pww h PHE 375 CO 0.00 1.24 -0.15 -0.07 -2.23 0.00 0.00 178.31 177.10 1pww h LEU 376 N 0.22 0.57 -0.91 0.59 3.38 -0.67 -1.18 115.31 117.31 1pww h LEU 376 Ca -0.08 -0.43 0.11 0.00 0.09 0.00 0.00 57.88 57.57 1pww h LEU 376 Cb 1.40 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.91 1pww h LEU 376 CO 0.15 0.87 0.54 0.11 0.09 0.00 0.00 178.44 180.20 1pww h LYS 377 N 0.26 0.86 -0.11 1.13 1.57 -1.18 0.19 116.57 119.29 1pww h LYS 377 Ca 0.05 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1pww h LYS 377 Cb 0.67 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1pww h LYS 377 CO 0.04 0.57 0.03 0.87 -0.57 0.00 0.00 179.45 180.39 1pww h LYS 378 N 0.88 0.18 -0.78 3.15 1.57 -1.20 -2.99 116.57 117.38 1pww h LYS 378 Ca 0.45 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.19 1pww h LYS 378 Cb 0.43 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 1pww h LYS 378 CO -0.26 0.36 0.52 -0.07 -0.57 0.00 0.00 179.45 179.43 1pww h LEU 379 N -0.03 0.89 -0.55 2.94 3.38 -0.48 -2.69 115.31 118.76 1pww h LEU 379 Ca 0.04 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.09 1pww h LEU 379 Cb 0.26 -0.22 -0.11 0.00 0.09 0.00 0.00 40.66 40.68 1pww h LEU 379 CO 0.00 0.64 -0.22 0.50 0.09 0.00 0.00 178.44 179.45 1pww h LYS 380 N 1.05 -0.08 -0.21 1.13 3.64 -0.83 0.18 116.57 121.45 1pww h LYS 380 Ca 0.29 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1pww h LYS 380 Cb -0.09 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1pww h LYS 380 CO -0.07 -0.05 0.12 -0.07 -2.27 0.00 0.00 179.45 177.11 1pww h LEU 381 N -0.08 0.19 -1.30 5.20 3.38 -1.49 -3.00 115.31 118.20 1pww h LEU 381 Ca 0.26 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 1pww h LEU 381 Cb 0.48 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1pww h LEU 381 CO -0.61 0.14 -0.33 0.44 0.09 0.00 0.00 178.44 178.17 1pww h ASP 382 N 0.25 0.02 -0.22 -0.43 3.32 -1.12 -3.15 116.42 115.09 1pww h ASP 382 Ca 0.08 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1pww h ASP 382 Cb -0.00 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1pww h ASP 382 CO -0.04 0.36 0.00 2.30 -1.72 0.00 0.00 179.24 180.14 1pww n ILE 383 N -4.14 0.50 -3.01 0.35 -5.35 0.50 -4.89 119.36 103.32 1pww n ILE 383 Ca -0.02 -0.36 -0.31 0.00 -0.27 0.00 0.00 62.75 61.79 1pww n ILE 383 Cb 0.38 -0.05 -0.05 0.00 -1.74 0.00 0.00 39.64 38.19 1pww n ILE 383 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1pww s GLN 384 N -1.64 3.90 0.81 6.28 -1.52 -1.19 -4.74 119.66 121.55 1pww s GLN 384 Ca 0.16 0.58 -0.11 0.00 -1.95 0.00 0.00 55.36 54.03 1pww s GLN 384 Cb 0.10 -2.41 0.08 0.00 -0.22 0.00 0.00 33.01 30.55 1pww s GLN 384 CO 0.09 0.07 1.10 -2.14 -0.25 0.00 0.00 175.29 174.16 1pww s PRO 385 N -3.37 2.00 -0.67 2.91 0.02 -1.26 -4.55 135.00 130.08 1pww s PRO 385 Ca 0.53 0.65 -0.19 0.00 0.02 0.00 0.00 61.00 62.01 1pww s PRO 385 Cb -0.10 -1.91 0.12 0.00 0.02 0.00 0.00 34.50 32.63 1pww s PRO 385 CO 0.24 -1.68 0.79 -0.47 -0.33 0.00 0.00 177.00 175.54 1pww s TYR 386 N -3.14 3.07 -0.51 6.54 5.04 0.06 -4.94 117.35 123.47 1pww s TYR 386 Ca 0.61 -1.10 0.04 0.00 -2.44 0.00 0.00 57.07 54.17 1pww s TYR 386 Cb -0.15 -4.05 0.13 0.00 0.35 0.00 0.00 41.96 38.24 1pww s TYR 386 CO 0.54 -1.32 0.25 0.34 -1.34 0.00 0.00 175.55 174.03 1pww s ASP 387 N 3.48 4.38 0.21 4.32 -1.08 -1.26 -2.26 116.67 124.47 1pww s ASP 387 Ca 0.16 -2.94 -0.15 0.00 -0.52 0.00 0.00 52.55 49.10 1pww s ASP 387 Cb -0.20 -1.65 0.23 0.00 -1.46 0.00 0.00 42.92 39.84 1pww s ASP 387 CO 0.03 -0.25 1.61 0.40 0.52 0.00 0.00 175.17 177.48 1pww h ILE 388 N 5.58 0.27 0.51 4.11 2.04 -1.88 0.26 117.51 128.41 1pww h ILE 388 Ca -0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1pww h ILE 388 Cb 0.90 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1pww h ILE 388 CO 0.68 0.00 -0.40 0.78 0.00 0.00 0.00 178.15 179.20 1pww h ASN 389 N -0.05 -1.07 -0.72 1.72 2.35 -1.94 -0.83 115.58 115.04 1pww h ASN 389 Ca 0.30 0.08 0.21 0.00 -0.55 0.00 0.00 56.30 56.34 1pww h ASN 389 Cb 0.52 0.34 -0.03 0.00 0.05 0.00 0.00 38.32 39.20 1pww h ASN 389 CO -0.70 -0.59 0.62 -0.61 -1.65 0.00 0.00 177.43 174.50 1pww h GLN 390 N -0.90 0.00 0.04 0.81 5.75 -1.60 0.13 115.11 119.34 1pww h GLN 390 Ca -0.06 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1pww h GLN 390 Cb 0.77 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.32 1pww h GLN 390 CO -0.00 0.00 -0.02 -0.09 -2.65 0.00 0.00 178.83 176.07 1pww h ARG 391 N 0.00 -0.06 -0.46 1.69 1.12 0.76 -1.82 114.38 115.62 1pww h ARG 391 Ca 0.34 0.00 0.03 0.00 -1.11 0.00 0.00 59.98 59.25 1pww h ARG 391 Cb 1.58 0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 31.51 1pww h ARG 391 CO -0.00 0.53 0.25 -0.07 -3.11 0.00 0.00 179.97 177.57 1pww h LEU 392 N -0.71 0.38 -0.94 3.80 3.38 0.19 -2.58 115.31 118.82 1pww h LEU 392 Ca -0.01 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1pww h LEU 392 Cb 0.62 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1pww h LEU 392 CO 0.01 0.27 -0.05 -0.61 0.09 0.00 0.00 178.44 178.14 1pww h GLN 393 N 0.49 0.71 0.00 1.13 4.15 -0.88 0.61 115.11 121.32 1pww h GLN 393 Ca 0.19 -0.20 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 1pww h GLN 393 Cb 0.07 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.68 1pww h GLN 393 CO -0.12 0.76 -0.11 -0.44 -1.93 0.00 0.00 178.83 177.00 1pww h ASP 394 N 0.66 0.00 -0.01 -0.69 5.19 -0.98 -2.77 116.42 117.82 1pww h ASP 394 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1pww h ASP 394 Cb 0.49 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1pww h ASP 394 CO 0.03 0.11 -0.12 0.35 -3.12 0.00 0.00 179.24 176.49 1pww n THR 395 N -3.20 0.00 -3.96 0.35 -2.24 -1.00 -2.48 114.28 101.75 1pww n THR 395 Ca 0.01 -0.44 -0.26 0.00 -2.27 0.00 0.00 64.05 61.09 1pww n THR 395 Cb 0.42 1.16 -0.02 0.00 -2.10 0.00 0.00 70.33 69.79 1pww n THR 395 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pww n GLY 396 N 0.76 -0.24 1.99 3.38 0.00 0.20 -0.99 105.19 110.30 1pww n GLY 396 Ca 0.05 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1pww n GLY 396 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pww n GLY 397 N -1.94 3.24 2.55 -0.02 0.00 -0.47 -4.89 105.19 103.65 1pww n GLY 397 Ca -0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 1pww n GLY 397 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pww n LEU 398 N 0.00 7.53 -0.16 0.99 7.99 -0.16 -4.76 117.00 128.43 1pww n LEU 398 Ca 0.00 -4.14 0.28 0.00 -0.01 0.00 0.00 56.01 52.15 1pww n LEU 398 Cb 0.00 -1.57 0.72 0.00 -0.11 0.00 0.00 43.42 42.47 1pww n LEU 398 CO 0.00 1.46 1.26 0.16 -1.51 0.00 0.00 177.39 178.76 1pww h ILE 399 N 3.55 0.47 0.00 -0.08 3.07 -1.92 -0.62 117.51 121.98 1pww h ILE 399 Ca 0.70 0.00 0.00 0.00 1.55 0.00 0.00 64.86 67.11 1pww h ILE 399 Cb 0.46 0.52 0.00 0.00 -0.27 0.00 0.00 36.82 37.53 1pww h ILE 399 CO 1.83 0.00 0.00 0.47 -1.05 0.00 0.00 178.15 179.40 1pww n ASP 400 N -4.11 0.00 -4.68 2.16 10.43 -1.26 -4.88 116.55 114.21 1pww n ASP 400 Ca 0.18 -0.70 -0.46 0.00 2.57 0.00 0.00 54.79 56.39 1pww n ASP 400 Cb 0.98 -0.06 -0.04 0.00 1.84 0.00 0.00 41.12 43.84 1pww n ASP 400 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1pww n SER 401 N -1.06 3.57 -2.93 -2.24 7.64 -0.24 -4.85 113.62 113.52 1pww n SER 401 Ca 0.19 0.99 -0.18 0.00 1.01 0.00 0.00 58.87 60.88 1pww n SER 401 Cb 0.11 -1.44 -0.04 0.00 -1.01 0.00 0.00 64.21 61.84 1pww n SER 401 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1pww n PRO 402 N 5.80 1.87 0.00 1.43 -0.04 -1.26 -4.27 135.00 138.54 1pww n PRO 402 Ca 0.20 -1.24 0.07 0.00 -0.04 0.00 0.00 63.50 62.49 1pww n PRO 402 Cb 0.32 -2.29 0.03 0.00 -0.04 0.00 0.00 33.50 31.53 1pww n PRO 402 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1pww n SER 403 N 3.81 1.88 -4.01 3.54 3.41 -1.26 -4.87 113.62 116.12 1pww n SER 403 Ca 0.40 -1.44 -0.16 0.00 -0.26 0.00 0.00 58.87 57.41 1pww n SER 403 Cb 0.23 0.22 -0.09 0.00 -0.26 0.00 0.00 64.21 64.31 1pww n SER 403 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1pww s ILE 404 N -1.45 0.14 0.23 -1.33 -4.36 -1.26 -4.98 121.20 108.20 1pww s ILE 404 Ca 0.15 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.23 1pww s ILE 404 Cb 0.12 -2.52 -0.10 0.00 1.25 0.00 0.00 42.46 41.21 1pww s ILE 404 CO 0.26 0.00 1.50 0.20 0.24 0.00 0.00 174.94 177.15 1pww s ASN 405 N -3.27 6.59 0.54 4.36 0.01 -1.26 -4.82 114.94 117.08 1pww s ASN 405 Ca 0.38 2.70 0.46 0.00 -0.71 0.00 0.00 52.86 55.69 1pww s ASN 405 Cb 0.06 -2.62 1.68 0.00 0.41 0.00 0.00 41.25 40.78 1pww s ASN 405 CO 0.16 -0.77 1.60 0.25 -1.51 0.00 0.00 177.10 176.83 1pww h LEU 406 N 5.53 0.04 0.24 0.60 5.85 -1.99 -1.13 115.31 124.45 1pww h LEU 406 Ca -0.45 0.03 -0.32 0.00 0.84 0.00 0.00 57.88 57.97 1pww h LEU 406 Cb 1.21 0.03 0.04 0.00 0.37 0.00 0.00 40.66 42.31 1pww h LEU 406 CO 0.82 -0.04 -1.43 -2.24 -0.34 0.00 0.00 178.44 175.21 1pww h ASP 407 N 0.01 0.81 -0.65 1.25 2.03 -1.99 -2.70 116.42 115.17 1pww h ASP 407 Ca 0.89 -0.92 -0.08 0.00 -0.73 0.00 0.00 57.03 56.19 1pww h ASP 407 Cb 3.46 -0.26 -0.03 0.00 -0.83 0.00 0.00 39.33 41.67 1pww h ASP 407 CO -0.08 1.69 0.12 0.58 -1.03 0.00 0.00 179.24 180.51 1pww h VAL 408 N 0.09 1.26 -0.46 4.15 2.07 -1.60 0.16 116.25 121.92 1pww h VAL 408 Ca -0.25 -1.01 0.09 0.00 0.82 0.00 0.00 66.70 66.35 1pww h VAL 408 Cb 2.12 0.63 -0.08 0.00 -1.52 0.00 0.00 31.29 32.44 1pww h VAL 408 CO 0.26 0.38 -0.06 -0.09 0.02 0.00 0.00 177.57 178.08 1pww h ARG 409 N 1.01 0.05 0.00 1.57 2.43 -1.43 0.20 114.38 118.21 1pww h ARG 409 Ca 0.20 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.26 1pww h ARG 409 Cb 0.42 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1pww h ARG 409 CO 0.01 0.03 -0.54 0.87 -1.51 0.00 0.00 179.97 178.83 1pww h LYS 410 N 0.05 0.00 -0.47 0.20 1.57 -1.09 -1.30 116.57 115.53 1pww h LYS 410 Ca 0.22 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1pww h LYS 410 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1pww h LYS 410 CO -0.43 0.54 0.15 1.96 -0.57 0.00 0.00 179.45 181.10 1pww h GLN 411 N 0.00 0.73 0.31 3.15 4.20 0.14 -1.40 115.11 122.24 1pww h GLN 411 Ca -0.01 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.53 1pww h GLN 411 Cb 1.11 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.79 1pww h GLN 411 CO 0.07 0.69 -0.15 1.88 -0.67 0.00 0.00 178.83 180.66 1pww h TYR 412 N 0.63 -0.38 -0.85 2.96 0.99 -0.54 -2.00 116.97 117.77 1pww h TYR 412 Ca 0.15 -0.01 0.16 0.00 2.00 0.00 0.00 58.73 61.03 1pww h TYR 412 Cb 0.27 0.13 -0.10 0.00 1.00 0.00 0.00 36.73 38.03 1pww h TYR 412 CO 0.01 -0.13 0.43 -0.22 -0.00 0.00 0.00 178.16 178.26 1pww h LYS 413 N -0.59 0.57 0.34 4.88 3.64 -1.18 0.11 116.57 124.34 1pww h LYS 413 Ca -0.04 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1pww h LYS 413 Cb 0.43 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1pww h LYS 413 CO 0.07 0.38 -0.16 -0.09 -2.27 0.00 0.00 179.45 177.38 1pww h ARG 414 N 0.59 -0.44 -0.86 1.90 2.43 -1.12 -1.67 114.38 115.22 1pww h ARG 414 Ca 0.48 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.68 1pww h ARG 414 Cb 0.71 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.31 1pww h ARG 414 CO -0.38 -0.25 0.55 -0.44 -1.51 0.00 0.00 179.97 177.94 1pww h ASP 415 N -0.52 1.01 -0.23 -3.80 3.32 -0.55 -2.94 116.42 112.70 1pww h ASP 415 Ca -0.05 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 1pww h ASP 415 Cb 0.39 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1pww h ASP 415 CO 0.08 0.75 0.04 0.40 -1.72 0.00 0.00 179.24 178.78 1pww h ILE 416 N 1.18 1.23 0.00 0.35 2.04 -0.66 -1.89 117.51 119.75 1pww h ILE 416 Ca 0.31 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1pww h ILE 416 Cb -0.10 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1pww h ILE 416 CO -0.06 0.24 0.00 1.56 0.00 0.00 0.00 178.15 179.89 1pww h GLN 417 N 0.19 0.00 0.11 2.37 4.20 -1.13 -1.49 115.11 119.36 1pww h GLN 417 Ca 0.07 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.47 1pww h GLN 417 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1pww h GLN 417 CO 0.00 0.00 -1.67 -0.91 -0.67 0.00 0.00 178.83 175.58 1pww h ASN 418 N 0.00 0.36 -0.74 1.46 2.35 -1.34 -2.99 115.58 114.68 1pww h ASN 418 Ca 0.00 -0.85 0.04 0.00 -0.55 0.00 0.00 56.30 54.94 1pww h ASN 418 Cb 0.19 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.39 1pww h ASN 418 CO 0.00 1.72 0.46 0.40 -1.65 0.00 0.00 177.43 178.36 1pww h ILE 419 N -0.21 1.08 0.06 2.81 2.04 -1.04 -1.45 117.51 120.79 1pww h ILE 419 Ca -0.37 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.19 1pww h ILE 419 Cb 1.84 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1pww h ILE 419 CO 0.04 0.16 -0.25 0.44 0.00 0.00 0.00 178.15 178.54 1pww h ASP 420 N 0.89 -0.75 0.00 1.72 3.32 -1.39 0.11 116.42 120.31 1pww h ASP 420 Ca 0.31 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1pww h ASP 420 Cb 0.06 0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1pww h ASP 420 CO -0.13 -0.26 0.00 0.00 -1.72 0.00 0.00 179.24 177.13 1pww n ALA 421 N -2.67 1.52 -0.13 3.45 0.00 -0.96 -2.06 120.51 119.66 1pww n ALA 421 Ca -0.04 -0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.20 1pww n ALA 421 Cb 0.19 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.53 1pww n ALA 421 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1pww n LEU 422 N -0.81 2.67 -4.48 0.00 7.94 0.30 -4.68 117.00 117.95 1pww n LEU 422 Ca 0.00 -0.01 -0.44 0.00 -1.11 0.00 0.00 56.01 54.46 1pww n LEU 422 Cb 0.00 -0.84 -0.00 0.00 0.53 0.00 0.00 43.42 43.11 1pww n LEU 422 CO 0.00 0.82 1.41 -0.76 -1.11 0.00 0.00 177.39 177.75 1pww s LEU 423 N -6.71 4.88 -0.01 -1.96 1.43 -0.69 -4.59 118.68 111.03 1pww s LEU 423 Ca -0.34 -2.77 0.05 0.00 -1.03 0.00 0.00 54.13 50.04 1pww s LEU 423 Cb 0.10 -2.43 -0.08 0.00 0.03 0.00 0.00 46.19 43.82 1pww s LEU 423 CO 0.54 -0.85 0.11 0.00 0.23 0.00 0.00 176.35 176.38 1pww n HIS 424 N 6.16 0.00 -2.29 0.29 1.44 -1.26 -4.48 115.22 115.08 1pww n HIS 424 Ca 0.36 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.64 1pww n HIS 424 Cb 0.44 -0.13 -0.02 0.00 0.12 0.00 0.00 29.99 30.40 1pww n HIS 424 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1pww s GLN 425 N -2.35 3.72 0.66 -1.40 -1.52 -1.26 -4.82 119.66 112.69 1pww s GLN 425 Ca -0.02 1.25 -0.16 0.00 -1.95 0.00 0.00 55.36 54.48 1pww s GLN 425 Cb 0.03 -3.99 -0.00 0.00 -0.22 0.00 0.00 33.01 28.83 1pww s GLN 425 CO 0.22 -1.37 1.16 -1.54 -0.25 0.00 0.00 175.29 173.50 1pww s SER 426 N 3.79 4.91 0.49 5.90 1.04 -1.26 -1.75 113.70 126.82 1pww s SER 426 Ca 0.63 2.20 0.27 0.00 0.48 0.00 0.00 55.95 59.54 1pww s SER 426 Cb -0.18 -2.58 1.23 0.00 0.10 0.00 0.00 66.02 64.59 1pww s SER 426 CO 0.29 -1.78 1.95 -0.29 0.98 0.00 0.00 173.24 174.40 1pww h ILE 427 N 0.22 0.46 -2.55 -1.02 6.09 -1.17 -3.46 117.51 116.08 1pww h ILE 427 Ca -0.48 -0.79 -0.60 0.00 -1.37 0.00 0.00 64.86 61.62 1pww h ILE 427 Cb 1.27 1.56 0.15 0.00 0.47 0.00 0.00 36.82 40.27 1pww h ILE 427 CO 0.53 0.15 -0.42 0.61 -3.07 0.00 0.00 178.15 175.95 1pww n GLY 428 N -0.20 -1.54 3.58 8.18 0.00 -0.78 -5.00 105.19 109.43 1pww n GLY 428 Ca -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 1pww n GLY 428 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pww s SER 429 N -1.01 -0.22 0.00 1.61 0.15 -1.26 -5.01 113.70 107.96 1pww s SER 429 Ca 0.64 -0.06 0.27 0.00 0.70 0.00 0.00 55.95 57.51 1pww s SER 429 Cb -0.55 0.28 0.91 0.00 -1.71 0.00 0.00 66.02 64.95 1pww s SER 429 CO 0.57 -0.46 1.66 0.35 1.20 0.00 0.00 173.24 176.56 1pww n THR 430 N -0.23 0.00 0.53 6.45 -2.24 -1.26 -3.69 114.28 113.83 1pww n THR 430 Ca -0.05 -0.11 0.13 0.00 -2.27 0.00 0.00 64.05 61.75 1pww n THR 430 Cb 0.60 0.25 0.35 0.00 -2.10 0.00 0.00 70.33 69.44 1pww n THR 430 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1pww h LEU 431 N 1.07 0.00 -8.09 3.22 3.38 -1.95 -3.47 115.31 109.47 1pww h LEU 431 Ca 0.00 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1pww h LEU 431 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1pww h LEU 431 CO 0.00 0.00 0.18 -0.72 0.09 0.00 0.00 178.44 177.99 1pww s TYR 432 N -3.13 0.25 0.00 1.13 -0.85 -1.24 -5.03 117.35 108.48 1pww s TYR 432 Ca 0.10 -0.83 0.00 0.00 -0.52 0.00 0.00 57.07 55.82 1pww s TYR 432 Cb 0.11 0.66 0.00 0.00 0.38 0.00 0.00 41.96 43.11 1pww s TYR 432 CO 0.61 -1.46 0.65 0.27 -1.52 0.00 0.00 175.55 174.11 1pww n ASN 433 N -1.29 0.00 -3.15 -0.18 6.94 -1.26 -4.56 115.26 111.75 1pww n ASN 433 Ca -0.06 -1.42 0.06 0.00 -0.02 0.00 0.00 54.58 53.13 1pww n ASN 433 Cb 0.60 -0.08 -0.01 0.00 -2.36 0.00 0.00 39.78 37.92 1pww n ASN 433 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1pww s LYS 434 N 0.00 0.08 -0.15 -3.83 2.20 -1.26 -5.13 119.74 111.65 1pww s LYS 434 Ca 0.00 0.12 -0.02 0.00 -0.36 0.00 0.00 55.97 55.70 1pww s LYS 434 Cb 0.00 0.06 -0.02 0.00 -1.51 0.00 0.00 37.83 36.36 1pww s LYS 434 CO 0.00 -0.10 -0.08 0.42 -0.36 0.00 0.00 175.35 175.23 1pww s ILE 435 N 2.98 3.48 -0.10 5.43 -1.09 -1.26 -5.05 121.20 125.59 1pww s ILE 435 Ca 0.05 -0.50 0.02 0.00 -2.23 0.00 0.00 60.65 57.99 1pww s ILE 435 Cb -0.06 -2.51 -0.02 0.00 -1.58 0.00 0.00 42.46 38.29 1pww s ILE 435 CO -0.13 0.50 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.62 1pww s TYR 436 N 0.50 2.74 0.10 3.97 1.51 -1.25 -1.25 117.35 123.67 1pww s TYR 436 Ca -0.06 -0.56 0.08 0.00 -1.01 0.00 0.00 57.07 55.52 1pww s TYR 436 Cb -0.15 -1.76 -0.03 0.00 -0.11 0.00 0.00 41.96 39.90 1pww s TYR 436 CO 0.03 -0.13 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.64 1pww s LEU 437 N 0.04 2.29 0.24 -1.29 1.43 -0.59 -4.86 118.68 115.94 1pww s LEU 437 Ca -0.06 -0.67 0.08 0.00 -1.03 0.00 0.00 54.13 52.46 1pww s LEU 437 Cb -0.15 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 1pww s LEU 437 CO 0.05 0.03 0.05 -0.31 0.23 0.00 0.00 176.35 176.40 1pww s TYR 438 N -1.18 2.85 -0.25 0.29 1.51 -0.31 -0.62 117.35 119.63 1pww s TYR 438 Ca 0.05 -0.17 -0.02 0.00 -1.01 0.00 0.00 57.07 55.92 1pww s TYR 438 Cb -0.10 -1.30 0.13 0.00 -0.11 0.00 0.00 41.96 40.58 1pww s TYR 438 CO 0.04 0.57 0.32 -2.00 -1.11 0.00 0.00 175.55 173.37 1pww s GLU 439 N -3.53 0.31 0.29 -0.62 2.12 -1.02 -0.56 118.70 115.70 1pww s GLU 439 Ca 0.31 0.21 -0.29 0.00 0.36 0.00 0.00 54.97 55.56 1pww s GLU 439 Cb -0.08 -0.67 -0.10 0.00 0.26 0.00 0.00 34.13 33.55 1pww s GLU 439 CO 0.21 -0.81 1.21 -0.80 -0.54 0.00 0.00 175.26 174.53 1pww s ASN 440 N 2.44 7.03 0.04 -1.70 0.02 -1.26 -1.61 114.94 119.90 1pww s ASN 440 Ca 0.10 2.45 -0.02 0.00 -1.02 0.00 0.00 52.86 54.37 1pww s ASN 440 Cb -0.15 -2.63 -0.03 0.00 0.02 0.00 0.00 41.25 38.46 1pww s ASN 440 CO -0.22 -0.35 -0.01 -0.32 0.02 0.00 0.00 177.10 176.23 1pww s MET 441 N -1.39 0.54 -0.18 -0.60 1.75 0.90 -4.95 119.30 115.36 1pww s MET 441 Ca 0.48 -1.00 -0.13 0.00 -1.25 0.00 0.00 55.69 53.78 1pww s MET 441 Cb -0.36 0.19 -0.05 0.00 2.84 0.00 0.00 34.83 37.46 1pww s MET 441 CO 0.45 -0.10 0.28 1.21 -0.65 0.00 0.00 175.02 176.21 1pww s ASN 442 N -2.46 6.39 0.46 1.11 3.84 -1.26 -1.99 114.94 121.03 1pww s ASN 442 Ca -0.00 0.45 0.19 0.00 0.21 0.00 0.00 52.86 53.70 1pww s ASN 442 Cb 0.02 -2.17 1.12 0.00 -0.55 0.00 0.00 41.25 39.67 1pww s ASN 442 CO -0.07 0.08 2.00 -0.29 -2.79 0.00 0.00 177.10 176.02 1pww h ILE 443 N 4.76 0.95 0.00 -5.21 2.10 -1.92 -1.80 117.51 116.39 1pww h ILE 443 Ca -0.40 -0.69 0.00 0.00 1.08 0.00 0.00 64.86 64.85 1pww h ILE 443 Cb 1.16 1.39 0.00 0.00 -1.09 0.00 0.00 36.82 38.28 1pww h ILE 443 CO 0.75 0.18 0.00 0.78 -1.08 0.00 0.00 178.15 178.78 1pww h ASN 444 N 0.00 0.00 -0.74 2.19 4.21 -1.90 0.58 115.58 119.92 1pww h ASN 444 Ca -0.00 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 1pww h ASN 444 Cb 0.38 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.54 1pww h ASN 444 CO 0.02 0.00 0.41 -1.13 -1.29 0.00 0.00 177.43 175.44 1pww h ASN 445 N 0.00 0.93 0.03 5.81 -0.73 -1.63 -2.85 115.58 117.13 1pww h ASN 445 Ca 0.00 -0.08 -0.36 0.00 1.87 0.00 0.00 56.30 57.73 1pww h ASN 445 Cb 0.15 -0.24 -0.05 0.00 0.27 0.00 0.00 38.32 38.45 1pww h ASN 445 CO 0.00 0.75 -2.05 0.18 -0.37 0.00 0.00 177.43 175.94 1pww n LEU 446 N -4.35 2.26 -3.37 0.34 4.32 -0.11 -4.83 117.00 111.26 1pww n LEU 446 Ca 0.08 0.25 -0.13 0.00 -0.02 0.00 0.00 56.01 56.18 1pww n LEU 446 Cb 0.10 -0.94 -0.08 0.00 -1.62 0.00 0.00 43.42 40.88 1pww n LEU 446 CO 0.38 0.62 -0.13 0.28 -1.22 0.00 0.00 177.39 177.32 1pww s THR 447 N -2.48 -0.50 0.25 -5.08 -1.32 0.00 -3.67 115.64 102.85 1pww s THR 447 Ca -0.32 -0.34 0.23 0.00 -1.21 0.00 0.00 61.69 60.04 1pww s THR 447 Cb 0.09 -0.95 0.22 0.00 -1.51 0.00 0.00 72.50 70.35 1pww s THR 447 CO 0.60 -0.34 1.88 0.00 -2.21 0.00 0.00 174.62 174.54 1pww h ALA 448 N 8.22 1.13 -0.04 11.08 0.00 -0.71 -1.47 119.26 137.46 1pww h ALA 448 Ca -0.13 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1pww h ALA 448 Cb 1.11 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1pww h ALA 448 CO 0.30 0.30 0.01 1.15 0.00 0.00 0.00 179.25 181.02 1pww h THR 449 N 0.00 1.16 -0.12 0.00 2.02 -1.81 -2.57 112.91 111.59 1pww h THR 449 Ca -0.00 -0.48 -0.16 0.00 0.77 0.00 0.00 66.41 66.53 1pww h THR 449 Cb 0.65 1.40 0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1pww h THR 449 CO 0.03 0.13 -0.56 -0.07 0.37 0.00 0.00 175.52 175.42 1pww h LEU 450 N -0.12 0.71 -1.45 2.58 3.38 -1.91 -3.04 115.31 115.46 1pww h LEU 450 Ca 0.01 -0.63 0.14 0.00 0.09 0.00 0.00 57.88 57.49 1pww h LEU 450 Cb 0.20 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1pww h LEU 450 CO -0.00 1.23 0.73 1.23 0.09 0.00 0.00 178.44 181.71 1pww h GLY 451 N 0.24 0.00 0.95 0.83 0.00 -1.23 0.13 103.07 103.99 1pww h GLY 451 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 1pww h GLY 451 CO 0.12 0.00 0.12 0.00 0.00 0.00 0.00 176.54 176.77 1pww h ALA 452 N 0.98 0.27 -0.42 3.60 0.00 -1.33 -3.22 119.26 119.14 1pww h ALA 452 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1pww h ALA 452 Cb 1.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1pww h ALA 452 CO -0.00 -0.20 0.00 -0.25 0.00 0.00 0.00 179.25 178.80 1pww n ASP 453 N -4.89 3.65 0.18 0.00 8.00 0.37 -4.71 116.55 119.16 1pww n ASP 453 Ca -0.03 -2.36 -0.14 0.00 0.71 0.00 0.00 54.79 52.96 1pww n ASP 453 Cb 0.07 -0.41 -0.08 0.00 -0.02 0.00 0.00 41.12 40.69 1pww n ASP 453 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1pww h LEU 454 N 2.57 -0.35 -9.83 0.64 5.85 -1.38 -3.43 115.31 109.38 1pww h LEU 454 Ca 0.00 0.01 -0.49 0.00 0.84 0.00 0.00 57.88 58.24 1pww h LEU 454 Cb 1.09 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1pww h LEU 454 CO 0.11 -0.24 0.42 -0.69 -0.34 0.00 0.00 178.44 177.69 1pww s VAL 455 N -6.13 3.75 -0.13 1.05 1.01 -1.26 -0.58 120.40 118.11 1pww s VAL 455 Ca -0.15 1.65 -0.29 0.00 0.00 0.00 0.00 61.98 63.19 1pww s VAL 455 Cb 0.05 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1pww s VAL 455 CO 0.64 0.31 1.85 -0.62 0.00 0.00 0.00 175.10 177.28 1pww s ASP 456 N -1.16 6.21 0.02 3.32 2.15 0.17 -4.65 116.67 122.73 1pww s ASP 456 Ca 0.47 2.03 0.06 0.00 0.43 0.00 0.00 52.55 55.54 1pww s ASP 456 Cb -0.27 -2.53 0.28 0.00 -0.30 0.00 0.00 42.92 40.10 1pww s ASP 456 CO 0.34 -1.33 1.20 -0.24 -0.17 0.00 0.00 175.17 174.97 1pww n SER 457 N 8.82 0.04 -0.11 -0.34 2.88 -1.26 -2.57 113.62 121.08 1pww n SER 457 Ca 0.21 0.51 -0.16 0.00 -1.33 0.00 0.00 58.87 58.11 1pww n SER 457 Cb 0.44 -0.52 -0.13 0.00 -0.75 0.00 0.00 64.21 63.25 1pww n SER 457 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1pww n THR 458 N -1.55 1.49 -3.63 2.46 -1.04 -1.26 -4.87 114.28 105.88 1pww n THR 458 Ca 0.01 -0.65 -0.27 0.00 -2.04 0.00 0.00 64.05 61.11 1pww n THR 458 Cb 0.07 -1.23 -0.17 0.00 -1.82 0.00 0.00 70.33 67.18 1pww n THR 458 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1pww s ASP 459 N -6.33 2.68 0.50 8.00 3.68 -1.06 -5.02 116.67 119.12 1pww s ASP 459 Ca -0.28 -0.78 0.33 0.00 2.13 0.00 0.00 52.55 53.95 1pww s ASP 459 Cb 0.08 -0.35 1.80 0.00 -1.45 0.00 0.00 42.92 43.00 1pww s ASP 459 CO 0.67 -0.35 2.02 0.78 0.13 0.00 0.00 175.17 178.41 1pww h ASN 460 N 8.37 0.00 -0.17 -0.34 4.21 -1.89 -2.01 115.58 123.75 1pww h ASN 460 Ca -0.16 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.35 1pww h ASN 460 Cb 1.12 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.32 1pww h ASN 460 CO 0.33 0.00 0.00 0.35 -1.29 0.00 0.00 177.43 176.82 1pww n THR 461 N -2.67 0.21 -4.79 2.81 -2.24 -1.26 -4.77 114.28 101.57 1pww n THR 461 Ca -0.02 -0.29 -0.24 0.00 -2.27 0.00 0.00 64.05 61.23 1pww n THR 461 Cb 0.06 0.20 -0.15 0.00 -2.10 0.00 0.00 70.33 68.34 1pww n THR 461 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1pww s LYS 462 N -1.79 1.36 0.05 -0.78 1.02 -0.76 -1.74 119.74 117.11 1pww s LYS 462 Ca 0.27 -0.61 -0.17 0.00 0.02 0.00 0.00 55.97 55.48 1pww s LYS 462 Cb 0.14 -1.32 -0.06 0.00 -0.52 0.00 0.00 37.83 36.07 1pww s LYS 462 CO 0.21 0.36 0.49 0.42 -0.92 0.00 0.00 175.35 175.92 1pww s ILE 463 N -0.41 4.88 0.41 2.17 1.01 -1.26 -0.65 121.20 127.34 1pww s ILE 463 Ca 0.06 0.99 -0.25 0.00 0.00 0.00 0.00 60.65 61.46 1pww s ILE 463 Cb -0.07 -3.80 -0.08 0.00 0.01 0.00 0.00 42.46 38.53 1pww s ILE 463 CO -0.01 0.53 1.18 0.20 0.00 0.00 0.00 174.94 176.84 1pww s ASN 464 N -1.18 6.46 0.01 3.58 0.01 0.25 -4.71 114.94 119.36 1pww s ASN 464 Ca 0.28 2.37 -0.11 0.00 -0.71 0.00 0.00 52.86 54.69 1pww s ASN 464 Cb -0.18 -2.61 -0.32 0.00 0.41 0.00 0.00 41.25 38.55 1pww s ASN 464 CO 0.17 -0.72 0.89 0.03 -1.51 0.00 0.00 177.10 175.96 1pww h ARG 465 N 2.56 0.41 0.03 -0.60 -0.00 -1.95 -3.16 114.38 111.67 1pww h ARG 465 Ca -0.49 -0.70 -0.00 0.00 -0.50 0.00 0.00 59.98 58.29 1pww h ARG 465 Cb 1.24 0.26 0.00 0.00 0.00 0.00 0.00 29.97 31.47 1pww h ARG 465 CO 0.62 1.32 -0.02 0.78 0.00 0.00 0.00 179.97 182.67 1pww h GLY 466 N 0.78 -0.05 1.18 0.04 0.00 -1.98 -1.18 103.07 101.86 1pww h GLY 466 Ca -0.27 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1pww h GLY 466 CO 0.22 -0.02 0.47 -2.22 0.00 0.00 0.00 176.54 174.99 1pww h ILE 467 N -0.12 1.22 -0.78 2.60 5.03 -1.90 -0.95 117.51 122.63 1pww h ILE 467 Ca -0.00 -0.51 0.08 0.00 -0.12 0.00 0.00 64.86 64.31 1pww h ILE 467 Cb 0.10 0.11 -0.07 0.00 -3.03 0.00 0.00 36.82 33.94 1pww h ILE 467 CO 0.01 0.24 0.44 0.15 -0.68 0.00 0.00 178.15 178.31 1pww h PHE 468 N 1.10 0.80 -0.35 1.37 3.57 -1.41 0.16 116.94 122.18 1pww h PHE 468 Ca 0.29 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.78 1pww h PHE 468 Cb -0.03 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 1pww h PHE 468 CO 0.01 0.34 0.08 -0.91 -2.23 0.00 0.00 178.31 175.60 1pww h ASN 469 N 0.76 0.54 -0.02 0.41 2.35 0.04 -2.23 115.58 117.43 1pww h ASN 469 Ca 0.37 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 1pww h ASN 469 Cb 0.31 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1pww h ASN 469 CO -0.23 0.63 -0.11 -0.08 -1.65 0.00 0.00 177.43 175.99 1pww h GLU 470 N 0.42 0.29 -0.26 0.81 4.81 -0.66 0.97 114.58 120.97 1pww h GLU 470 Ca 0.11 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1pww h GLU 470 Cb 0.31 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1pww h GLU 470 CO 0.00 0.42 0.07 0.35 -0.73 0.00 0.00 179.01 179.12 1pww h PHE 471 N 0.28 0.43 -0.37 0.92 3.57 -0.70 -3.19 116.94 117.88 1pww h PHE 471 Ca 0.06 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 1pww h PHE 471 Cb 0.38 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1pww h PHE 471 CO 0.01 0.49 -0.28 -0.22 -2.23 0.00 0.00 178.31 176.08 1pww h LYS 472 N 0.25 0.77 -0.40 1.11 3.64 -0.97 -3.39 116.57 117.58 1pww h LYS 472 Ca 0.08 -0.34 0.08 0.00 -1.27 0.00 0.00 60.65 59.20 1pww h LYS 472 Cb 0.27 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 1pww h LYS 472 CO -0.00 0.95 -0.11 1.17 -2.27 0.00 0.00 179.45 179.19 1pww n LYS 473 N -4.09 -0.05 -0.80 1.90 4.81 0.30 -1.55 118.16 118.68 1pww n LYS 473 Ca -0.00 0.62 0.05 0.00 -0.87 0.00 0.00 58.31 58.11 1pww n LYS 473 Cb 0.46 -0.92 0.13 0.00 0.02 0.00 0.00 35.03 34.72 1pww n LYS 473 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1pww n ASN 474 N -4.63 1.47 -4.44 3.14 4.13 -1.26 -4.97 115.26 108.70 1pww n ASN 474 Ca 0.06 -3.14 -0.44 0.00 1.68 0.00 0.00 54.58 52.73 1pww n ASN 474 Cb 0.19 -0.43 -0.02 0.00 -1.54 0.00 0.00 39.78 37.98 1pww n ASN 474 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1pww s PHE 475 N -2.06 3.34 -0.06 3.10 5.36 -0.60 -3.24 117.98 123.84 1pww s PHE 475 Ca 0.34 -1.73 -0.06 0.00 -0.96 0.00 0.00 56.93 54.52 1pww s PHE 475 Cb 0.34 -4.23 -0.02 0.00 -0.34 0.00 0.00 43.02 38.77 1pww s PHE 475 CO -0.08 -1.39 -0.11 1.63 -1.46 0.00 0.00 175.22 173.80 1pww n LYS 476 N 5.88 0.17 -4.17 10.12 4.76 -1.26 -4.74 118.16 128.92 1pww n LYS 476 Ca 0.27 0.07 -0.28 0.00 -2.87 0.00 0.00 58.31 55.50 1pww n LYS 476 Cb 0.47 -0.78 -0.08 0.00 -1.84 0.00 0.00 35.03 32.80 1pww n LYS 476 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 1pww s TYR 477 N -1.66 2.90 -0.01 2.13 -0.85 -1.26 0.18 117.35 118.79 1pww s TYR 477 Ca -0.09 -0.09 0.01 0.00 -0.52 0.00 0.00 57.07 56.37 1pww s TYR 477 Cb 0.01 -1.45 0.01 0.00 0.38 0.00 0.00 41.96 40.91 1pww s TYR 477 CO 0.14 0.49 -0.01 0.45 -1.52 0.00 0.00 175.55 175.10 1pww s SER 478 N -2.66 0.25 0.08 -0.18 0.15 0.40 -1.48 113.70 110.25 1pww s SER 478 Ca 0.26 -0.03 0.05 0.00 0.70 0.00 0.00 55.95 56.94 1pww s SER 478 Cb -0.10 -0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.10 1pww s SER 478 CO 0.18 -0.02 -0.01 -0.63 1.20 0.00 0.00 173.24 173.96 1pww s ILE 479 N 0.28 3.95 -0.34 6.45 1.01 0.24 0.12 121.20 132.91 1pww s ILE 479 Ca -0.02 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.67 1pww s ILE 479 Cb -0.05 -2.86 0.10 0.00 0.01 0.00 0.00 42.46 39.66 1pww s ILE 479 CO -0.01 0.15 0.08 -0.55 0.00 0.00 0.00 174.94 174.62 1pww s SER 480 N -2.20 4.43 0.13 3.58 0.15 -0.20 -1.74 113.70 117.85 1pww s SER 480 Ca 0.24 -2.02 0.02 0.00 0.70 0.00 0.00 55.95 54.89 1pww s SER 480 Cb -0.12 -1.32 -0.15 0.00 -1.71 0.00 0.00 66.02 62.72 1pww s SER 480 CO 0.17 -0.38 1.28 0.28 1.20 0.00 0.00 173.24 175.79 1pww h SER 481 N 7.70 0.21 -5.53 5.45 0.02 -1.85 -0.78 113.55 118.76 1pww h SER 481 Ca -0.08 -0.20 -0.32 0.00 -0.84 0.00 0.00 61.79 60.35 1pww h SER 481 Cb 1.01 -0.07 0.03 0.00 0.14 0.00 0.00 62.40 63.51 1pww h SER 481 CO 0.51 1.10 -0.02 -0.46 -1.14 0.00 0.00 176.83 176.82 1pww n ASN 482 N -3.52 1.31 -4.67 3.07 0.23 -1.26 -3.58 115.26 106.83 1pww n ASN 482 Ca -0.04 -1.98 -0.41 0.00 -0.53 0.00 0.00 54.58 51.62 1pww n ASN 482 Cb 0.91 -0.32 -0.04 0.00 -2.08 0.00 0.00 39.78 38.25 1pww n ASN 482 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 1pww s TYR 483 N -1.57 3.44 0.03 -2.53 1.51 -1.26 -4.39 117.35 112.57 1pww s TYR 483 Ca 0.42 1.30 -0.25 0.00 -1.01 0.00 0.00 57.07 57.54 1pww s TYR 483 Cb -0.03 -3.03 -0.05 0.00 -0.11 0.00 0.00 41.96 38.74 1pww s TYR 483 CO 0.27 -0.22 0.76 -1.64 -1.11 0.00 0.00 175.55 173.60 1pww s MET 484 N 2.08 4.48 -0.32 -0.62 -1.94 -1.23 -4.85 119.30 116.90 1pww s MET 484 Ca 0.40 1.04 -0.06 0.00 -1.71 0.00 0.00 55.69 55.36 1pww s MET 484 Cb -0.17 -3.37 0.03 0.00 2.01 0.00 0.00 34.83 33.33 1pww s MET 484 CO 0.13 0.26 0.08 0.42 -0.01 0.00 0.00 175.02 175.91 1pww s ILE 485 N 0.02 3.80 0.31 2.53 1.01 -1.26 -0.69 121.20 126.91 1pww s ILE 485 Ca 0.38 -0.95 0.10 0.00 0.00 0.00 0.00 60.65 60.19 1pww s ILE 485 Cb -0.20 -3.06 -0.06 0.00 0.01 0.00 0.00 42.46 39.15 1pww s ILE 485 CO 0.22 -0.05 -0.12 0.68 0.00 0.00 0.00 174.94 175.67 1pww s VAL 486 N 1.44 2.22 -0.10 2.92 -7.23 -0.75 -4.91 120.40 113.98 1pww s VAL 486 Ca 0.00 -2.26 -0.08 0.00 -1.81 0.00 0.00 61.98 57.83 1pww s VAL 486 Cb -0.18 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 1pww s VAL 486 CO 0.02 -0.29 0.17 -1.81 -0.31 0.00 0.00 175.10 172.89 1pww s ASP 487 N -3.55 6.44 0.24 4.85 1.01 0.27 -0.62 116.67 125.31 1pww s ASP 487 Ca 0.31 0.53 -0.03 0.00 0.71 0.00 0.00 52.55 54.07 1pww s ASP 487 Cb 0.00 -2.09 0.25 0.00 1.01 0.00 0.00 42.92 42.09 1pww s ASP 487 CO 0.15 0.40 1.70 0.40 0.21 0.00 0.00 175.17 178.03 1pww h ILE 488 N 3.95 1.26 -2.78 0.77 2.04 -1.86 -0.81 117.51 120.07 1pww h ILE 488 Ca -0.55 -1.14 -0.62 0.00 1.00 0.00 0.00 64.86 63.55 1pww h ILE 488 Cb 1.23 0.99 -0.17 0.00 -0.74 0.00 0.00 36.82 38.13 1pww h ILE 488 CO 0.58 0.39 -0.79 0.20 0.00 0.00 0.00 178.15 178.54 1pww s ASN 489 N -6.68 3.43 0.34 1.72 0.01 -1.26 -4.77 114.94 107.73 1pww s ASN 489 Ca -0.10 -0.94 -0.26 0.00 -0.71 0.00 0.00 52.86 50.85 1pww s ASN 489 Cb 0.14 -0.26 -0.09 0.00 0.41 0.00 0.00 41.25 41.44 1pww s ASN 489 CO 0.82 0.07 1.03 -0.70 -1.51 0.00 0.00 177.10 176.81 1pww s GLU 490 N -3.06 4.45 0.13 -0.60 2.12 -1.26 -4.75 118.70 115.72 1pww s GLU 490 Ca 0.24 1.55 0.05 0.00 0.36 0.00 0.00 54.97 57.18 1pww s GLU 490 Cb -0.06 -2.84 -0.04 0.00 0.26 0.00 0.00 34.13 31.45 1pww s GLU 490 CO 0.12 0.11 -0.13 1.03 -0.54 0.00 0.00 175.26 175.84 1pww s ARG 491 N -2.00 1.02 0.57 4.30 0.52 -1.26 -5.12 118.95 116.99 1pww s ARG 491 Ca 0.51 -1.29 -0.20 0.00 -0.52 0.00 0.00 55.73 54.23 1pww s ARG 491 Cb -0.24 -0.81 -0.04 0.00 0.52 0.00 0.00 34.95 34.38 1pww s ARG 491 CO 0.31 0.14 1.28 -1.25 0.02 0.00 0.00 175.30 175.80 1pww s PRO 492 N -2.94 3.01 0.40 3.54 0.04 -1.26 -4.93 135.00 132.86 1pww s PRO 492 Ca 0.11 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.26 1pww s PRO 492 Cb -0.03 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 1pww s PRO 492 CO 0.02 -1.23 0.31 0.00 0.04 0.00 0.00 177.00 176.14 1pww s ALA 493 N -1.43 3.89 0.32 8.56 0.00 -1.26 -5.07 121.76 126.78 1pww s ALA 493 Ca 0.75 -1.89 -0.18 0.00 0.00 0.00 0.00 51.96 50.65 1pww s ALA 493 Cb -0.36 -0.89 -0.09 0.00 0.00 0.00 0.00 23.12 21.78 1pww s ALA 493 CO 0.40 -0.16 0.78 -0.51 0.00 0.00 0.00 175.76 176.28 1pww s LEU 494 N -4.04 4.11 0.24 0.00 1.43 -1.26 -4.93 118.68 114.23 1pww s LEU 494 Ca 0.45 1.41 -0.04 0.00 -1.03 0.00 0.00 54.13 54.92 1pww s LEU 494 Cb -0.02 -4.06 0.48 0.00 0.03 0.00 0.00 46.19 42.62 1pww s LEU 494 CO 0.26 -0.18 1.30 0.47 0.23 0.00 0.00 176.35 178.44 1pww n ASP 495 N -0.14 -0.23 0.00 2.29 9.92 -1.26 0.19 116.55 127.33 1pww n ASP 495 Ca 0.03 1.43 0.00 0.00 -0.53 0.00 0.00 54.79 55.72 1pww n ASP 495 Cb 0.53 -0.46 0.01 0.00 -0.64 0.00 0.00 41.12 40.55 1pww n ASP 495 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1pww n ASN 496 N -5.30 0.00 -4.12 -2.24 2.04 -1.26 -4.52 115.26 99.85 1pww n ASN 496 Ca 0.16 -1.95 -0.38 0.00 -0.44 0.00 0.00 54.58 51.97 1pww n ASN 496 Cb 0.50 0.00 -0.09 0.00 -2.53 0.00 0.00 39.78 37.66 1pww n ASN 496 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1pww s GLU 497 N -2.00 2.64 0.00 -3.83 2.02 0.51 -4.12 118.70 113.92 1pww s GLU 497 Ca 0.00 -2.46 0.18 0.00 0.02 0.00 0.00 54.97 52.72 1pww s GLU 497 Cb 0.00 -3.80 0.35 0.00 0.10 0.00 0.00 34.13 30.78 1pww s GLU 497 CO 0.00 -1.18 1.27 0.54 0.02 0.00 0.00 175.26 175.92 1pww n ARG 498 N 3.65 2.25 -4.35 1.61 5.12 -1.03 -4.57 116.66 119.34 1pww n ARG 498 Ca 0.07 -2.05 -0.34 0.00 -1.93 0.00 0.00 57.85 53.60 1pww n ARG 498 Cb 0.39 -1.40 -0.11 0.00 -1.16 0.00 0.00 32.46 30.17 1pww n ARG 498 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1pww s LEU 499 N -1.24 3.37 -0.41 0.55 1.02 -0.84 -1.49 118.68 119.63 1pww s LEU 499 Ca 0.31 -0.06 0.02 0.00 0.02 0.00 0.00 54.13 54.42 1pww s LEU 499 Cb 0.18 -1.81 0.12 0.00 0.02 0.00 0.00 46.19 44.70 1pww s LEU 499 CO 0.25 0.21 0.18 -0.54 0.02 0.00 0.00 176.35 176.47 1pww s LYS 500 N 0.14 1.35 0.42 1.70 1.02 -0.95 -0.07 119.74 123.34 1pww s LYS 500 Ca -0.00 -1.92 -0.23 0.00 0.02 0.00 0.00 55.97 53.83 1pww s LYS 500 Cb -0.13 -2.61 -0.09 0.00 -0.52 0.00 0.00 37.83 34.47 1pww s LYS 500 CO 0.02 -1.08 1.04 -1.58 -0.92 0.00 0.00 175.35 172.84 1pww s TRP 501 N 0.57 3.22 -0.15 3.18 0.52 -0.63 -1.96 118.94 123.68 1pww s TRP 501 Ca 0.15 1.63 -0.01 0.00 0.02 0.00 0.00 56.10 57.89 1pww s TRP 501 Cb -0.22 -3.10 0.04 0.00 -1.15 0.00 0.00 33.47 29.03 1pww s TRP 501 CO -0.06 -0.64 -0.03 0.50 0.02 0.00 0.00 176.95 176.73 1pww s ARG 502 N -2.67 1.17 -0.03 4.98 3.52 -0.39 -2.42 118.95 123.12 1pww s ARG 502 Ca 0.60 -0.37 0.03 0.00 -0.13 0.00 0.00 55.73 55.85 1pww s ARG 502 Cb -0.20 -1.81 -0.03 0.00 -1.56 0.00 0.00 34.95 31.34 1pww s ARG 502 CO 0.25 -0.43 -0.08 0.42 -0.81 0.00 0.00 175.30 174.65 1pww s ILE 503 N 1.73 3.54 -0.29 4.11 -1.09 0.20 -1.64 121.20 127.77 1pww s ILE 503 Ca 0.01 -0.67 -0.06 0.00 -2.23 0.00 0.00 60.65 57.70 1pww s ILE 503 Cb -0.15 -2.48 0.01 0.00 -1.58 0.00 0.00 42.46 38.26 1pww s ILE 503 CO -0.07 0.50 0.06 -1.58 -1.23 0.00 0.00 174.94 172.61 1pww s GLN 504 N -1.08 3.06 0.42 2.79 0.74 -0.27 -1.54 119.66 123.76 1pww s GLN 504 Ca 0.14 -0.87 -0.22 0.00 0.05 0.00 0.00 55.36 54.46 1pww s GLN 504 Cb -0.11 -3.30 -0.10 0.00 1.10 0.00 0.00 33.01 30.59 1pww s GLN 504 CO 0.04 -0.43 0.96 -0.51 -0.55 0.00 0.00 175.29 174.80 1pww s LEU 505 N 1.47 4.01 0.20 3.68 1.43 -0.38 -1.31 118.68 127.78 1pww s LEU 505 Ca 0.02 1.75 -0.23 0.00 -1.03 0.00 0.00 54.13 54.65 1pww s LEU 505 Cb -0.17 -4.44 -0.08 0.00 0.03 0.00 0.00 46.19 41.53 1pww s LEU 505 CO 0.01 -0.35 0.76 -0.55 0.23 0.00 0.00 176.35 176.44 1pww s SER 506 N -2.04 7.23 0.15 2.29 0.15 -1.26 -4.66 113.70 115.56 1pww s SER 506 Ca 0.60 1.54 0.15 0.00 0.70 0.00 0.00 55.95 58.95 1pww s SER 506 Cb -0.12 -2.46 0.71 0.00 -1.71 0.00 0.00 66.02 62.44 1pww s SER 506 CO 0.16 0.12 1.47 -0.81 1.20 0.00 0.00 173.24 175.38 1pww n PRO 507 N 1.16 0.09 0.00 5.44 -0.04 -1.26 -1.67 135.00 138.72 1pww n PRO 507 Ca -0.04 0.45 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 1pww n PRO 507 Cb 0.50 -1.72 0.27 0.00 -0.04 0.00 0.00 33.50 32.52 1pww n PRO 507 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1pww n ASP 508 N -1.89 0.47 -4.69 3.54 10.43 -1.26 -1.87 116.55 121.29 1pww n ASP 508 Ca 0.01 -0.16 -0.42 0.00 2.57 0.00 0.00 54.79 56.79 1pww n ASP 508 Cb 0.11 0.18 -0.03 0.00 1.84 0.00 0.00 41.12 43.23 1pww n ASP 508 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1pww s THR 509 N -3.01 3.09 0.15 -3.53 2.01 -0.67 -4.79 115.64 108.89 1pww s THR 509 Ca 0.11 0.49 -0.26 0.00 0.31 0.00 0.00 61.69 62.34 1pww s THR 509 Cb 0.17 -3.32 -0.08 0.00 0.01 0.00 0.00 72.50 69.29 1pww s THR 509 CO 0.69 -0.01 0.80 -0.13 -0.69 0.00 0.00 174.62 175.28 1pww s ARG 510 N 2.84 4.59 0.29 4.92 0.52 -1.26 -1.16 118.95 129.70 1pww s ARG 510 Ca 0.74 1.19 -0.12 0.00 -0.52 0.00 0.00 55.73 57.03 1pww s ARG 510 Cb -0.39 -3.28 0.01 0.00 0.52 0.00 0.00 34.95 31.80 1pww s ARG 510 CO 0.32 0.51 0.55 0.00 0.02 0.00 0.00 175.30 176.70 1pww s ALA 511 N -0.95 -0.19 -0.01 2.13 0.00 -0.72 -1.94 121.76 120.08 1pww s ALA 511 Ca 0.37 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.42 1pww s ALA 511 Cb -0.23 1.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 1pww s ALA 511 CO 0.27 -0.88 -0.12 0.20 0.00 0.00 0.00 175.76 175.23 1pww s GLY 512 N -3.07 0.58 0.09 0.00 0.00 0.18 -4.29 107.32 100.81 1pww s GLY 512 Ca 0.22 -0.49 -0.21 0.00 0.00 0.00 0.00 44.72 44.24 1pww s GLY 512 CO 0.12 -0.37 0.64 -0.47 0.00 0.00 0.00 173.10 173.02 1pww s TYR 513 N -0.19 3.82 -0.08 1.90 5.04 -1.26 0.65 117.35 127.22 1pww s TYR 513 Ca 0.03 1.37 0.04 0.00 -2.44 0.00 0.00 57.07 56.07 1pww s TYR 513 Cb -0.05 -2.60 0.00 0.00 0.35 0.00 0.00 41.96 39.66 1pww s TYR 513 CO -0.00 0.52 -0.22 -0.51 -1.34 0.00 0.00 175.55 174.00 1pww s LEU 514 N -0.95 2.00 0.64 6.97 1.43 -0.28 -4.92 118.68 123.58 1pww s LEU 514 Ca 0.31 -0.50 0.32 0.00 -1.03 0.00 0.00 54.13 53.24 1pww s LEU 514 Cb -0.20 -1.28 1.76 0.00 0.03 0.00 0.00 46.19 46.50 1pww s LEU 514 CO 0.21 0.15 1.98 -0.08 0.23 0.00 0.00 176.35 178.84 1pww h GLU 515 N 6.64 0.00 -0.26 1.70 4.57 -1.98 0.11 114.58 125.36 1pww h GLU 515 Ca -0.24 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 1pww h GLU 515 Cb 1.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1pww h GLU 515 CO 0.47 0.00 0.00 0.27 -1.18 0.00 0.00 179.01 178.57 1pww n ASN 516 N -2.86 0.26 -1.86 1.04 2.04 -1.26 -4.83 115.26 107.79 1pww n ASN 516 Ca -0.02 -1.95 -0.06 0.00 -0.44 0.00 0.00 54.58 52.11 1pww n ASN 516 Cb 0.29 -0.13 0.03 0.00 -2.53 0.00 0.00 39.78 37.44 1pww n ASN 516 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1pww n GLY 517 N 0.35 0.18 3.24 4.83 0.00 0.36 -5.02 105.19 109.13 1pww n GLY 517 Ca 0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 1pww n GLY 517 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pww s LYS 518 N -4.30 1.18 -0.03 1.61 1.02 -0.96 -2.98 119.74 115.28 1pww s LYS 518 Ca 0.02 -1.60 0.03 0.00 0.02 0.00 0.00 55.97 54.45 1pww s LYS 518 Cb -0.00 -0.11 -0.00 0.00 -0.52 0.00 0.00 37.83 37.19 1pww s LYS 518 CO 0.25 -0.23 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.81 1pww s LEU 519 N -3.19 1.89 -0.26 3.17 1.43 0.21 -1.12 118.68 120.81 1pww s LEU 519 Ca 0.30 -0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 53.05 1pww s LEU 519 Cb 0.07 -0.69 -0.05 0.00 0.03 0.00 0.00 46.19 45.55 1pww s LEU 519 CO 0.07 0.12 0.16 -0.51 0.23 0.00 0.00 176.35 176.42 1pww s ILE 520 N 0.01 5.21 0.14 -0.59 1.10 0.21 -1.81 121.20 125.47 1pww s ILE 520 Ca -0.01 0.13 0.00 0.00 -0.51 0.00 0.00 60.65 60.26 1pww s ILE 520 Cb -0.08 -3.46 -0.04 0.00 0.15 0.00 0.00 42.46 39.03 1pww s ILE 520 CO 0.01 0.30 0.30 -0.76 -2.11 0.00 0.00 174.94 172.68 1pww s LEU 521 N 1.42 4.31 0.87 8.50 1.43 0.13 0.51 118.68 135.84 1pww s LEU 521 Ca 0.07 0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 53.37 1pww s LEU 521 Cb -0.15 -3.04 0.12 0.00 0.03 0.00 0.00 46.19 43.15 1pww s LEU 521 CO 0.07 0.06 1.16 0.00 0.23 0.00 0.00 176.35 177.88 1pww s GLN 522 N -2.99 1.31 0.93 1.70 -2.07 -0.82 -3.57 119.66 114.16 1pww s GLN 522 Ca 0.36 1.60 -0.13 0.00 -1.82 0.00 0.00 55.36 55.37 1pww s GLN 522 Cb -0.12 -1.76 0.19 0.00 -1.09 0.00 0.00 33.01 30.24 1pww s GLN 522 CO 0.28 -2.42 1.27 -0.98 -1.32 0.00 0.00 175.29 172.12 1pww s ARG 523 N -4.48 0.75 -1.17 9.60 1.70 -1.26 -4.52 118.95 119.56 1pww s ARG 523 Ca 0.69 -0.58 -0.10 0.00 -0.47 0.00 0.00 55.73 55.27 1pww s ARG 523 Cb -0.24 -1.93 -0.02 0.00 -0.57 0.00 0.00 34.95 32.18 1pww s ARG 523 CO 0.55 -2.29 0.80 0.09 -1.08 0.00 0.00 175.30 173.37 1pww n ASN 524 N -3.62 -4.25 -4.62 -2.89 5.03 -0.38 -4.99 115.26 99.54 1pww n ASN 524 Ca 0.16 -0.86 -0.34 0.00 0.87 0.00 0.00 54.58 54.40 1pww n ASN 524 Cb 0.60 -4.12 -0.10 0.00 -1.02 0.00 0.00 39.78 35.13 1pww n ASN 524 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1pww s ILE 525 N -3.51 4.01 -0.13 2.41 1.01 -0.73 -4.60 121.20 119.66 1pww s ILE 525 Ca 0.31 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.53 1pww s ILE 525 Cb -0.08 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 1pww s ILE 525 CO 0.81 0.59 0.14 -0.83 0.00 0.00 0.00 174.94 175.65 1pww s GLY 526 N -0.72 2.14 -0.13 6.18 0.00 -1.07 -1.03 107.32 112.69 1pww s GLY 526 Ca 0.11 -0.65 -0.01 0.00 0.00 0.00 0.00 44.72 44.18 1pww s GLY 526 CO 0.02 -0.32 -0.05 1.08 0.00 0.00 0.00 173.10 173.83 1pww s LEU 527 N -0.86 1.24 -0.23 0.66 1.43 0.32 -1.22 118.68 120.01 1pww s LEU 527 Ca 0.14 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 52.69 1pww s LEU 527 Cb -0.12 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 1pww s LEU 527 CO 0.03 -0.16 0.33 -0.70 0.23 0.00 0.00 176.35 176.09 1pww s GLU 528 N 1.73 4.09 -0.42 1.70 2.12 -0.35 0.15 118.70 127.72 1pww s GLU 528 Ca 0.03 0.03 -0.27 0.00 0.36 0.00 0.00 54.97 55.12 1pww s GLU 528 Cb -0.14 -3.58 0.02 0.00 0.26 0.00 0.00 34.13 30.70 1pww s GLU 528 CO -0.08 -0.10 1.02 0.42 -0.54 0.00 0.00 175.26 175.99 1pww s ILE 529 N 1.51 4.41 0.04 -3.70 1.09 0.48 -0.64 121.20 124.38 1pww s ILE 529 Ca 0.15 1.16 0.04 0.00 -1.10 0.00 0.00 60.65 60.90 1pww s ILE 529 Cb -0.15 -4.47 -0.24 0.00 -1.06 0.00 0.00 42.46 36.54 1pww s ILE 529 CO 0.08 -0.78 0.97 0.11 -0.10 0.00 0.00 174.94 175.22 1pww h LYS 530 N 8.85 0.11 -2.11 2.79 1.79 -0.74 -3.46 116.57 123.80 1pww h LYS 530 Ca -0.23 -0.18 -0.04 0.00 -2.18 0.00 0.00 60.65 58.02 1pww h LYS 530 Cb 1.07 0.07 -0.18 0.00 -1.58 0.00 0.00 32.23 31.60 1pww h LYS 530 CO 1.05 0.93 0.23 0.34 -1.08 0.00 0.00 179.45 180.93 1pww s ASP 531 N -6.69 -0.61 -0.32 0.86 3.68 -1.11 -5.00 116.67 107.47 1pww s ASP 531 Ca -0.04 0.57 0.01 0.00 2.13 0.00 0.00 52.55 55.22 1pww s ASP 531 Cb 0.08 0.52 0.14 0.00 -1.45 0.00 0.00 42.92 42.22 1pww s ASP 531 CO 0.84 -0.64 0.32 -0.69 0.13 0.00 0.00 175.17 175.13 1pww s VAL 532 N -1.59 -0.36 0.24 1.11 1.01 -1.26 -1.33 120.40 118.21 1pww s VAL 532 Ca -0.08 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.24 1pww s VAL 532 Cb -0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 1pww s VAL 532 CO 0.05 -0.53 -0.07 0.00 0.00 0.00 0.00 175.10 174.56 1pww s GLN 533 N 1.98 1.41 -0.44 2.72 -2.07 -1.12 -4.98 119.66 117.16 1pww s GLN 533 Ca 0.12 -1.69 -0.23 0.00 -1.82 0.00 0.00 55.36 51.75 1pww s GLN 533 Cb -0.15 -0.97 0.02 0.00 -1.09 0.00 0.00 33.01 30.82 1pww s GLN 533 CO -0.21 0.04 0.77 0.42 -1.32 0.00 0.00 175.29 174.99 1pww s ILE 534 N -3.13 4.68 0.53 3.63 1.01 -1.26 -0.45 121.20 126.21 1pww s ILE 534 Ca 0.26 0.45 0.07 0.00 0.00 0.00 0.00 60.65 61.43 1pww s ILE 534 Cb 0.03 -4.29 0.04 0.00 0.01 0.00 0.00 42.46 38.25 1pww s ILE 534 CO 0.09 -0.66 0.47 0.27 0.00 0.00 0.00 174.94 175.10 1pww s ILE 535 N 3.21 1.88 -0.11 2.92 -4.36 -0.39 -4.03 121.20 120.31 1pww s ILE 535 Ca 0.29 -1.39 -0.01 0.00 -0.26 0.00 0.00 60.65 59.28 1pww s ILE 535 Cb -0.12 -2.26 0.03 0.00 1.25 0.00 0.00 42.46 41.35 1pww s ILE 535 CO 0.21 0.00 -0.02 -0.75 0.24 0.00 0.00 174.94 174.62 1pww s LYS 536 N -4.33 0.95 -0.06 0.37 2.20 -1.26 -1.82 119.74 115.79 1pww s LYS 536 Ca 0.41 -0.13 0.03 0.00 -0.36 0.00 0.00 55.97 55.93 1pww s LYS 536 Cb -0.03 -1.40 0.00 0.00 -1.51 0.00 0.00 37.83 34.90 1pww s LYS 536 CO 0.25 -0.35 -0.16 -1.14 -0.36 0.00 0.00 175.35 173.59 1pww s GLN 537 N 1.85 1.95 -1.52 4.03 0.74 -0.42 -4.68 119.66 121.60 1pww s GLN 537 Ca 0.04 -0.56 -0.07 0.00 0.05 0.00 0.00 55.36 54.81 1pww s GLN 537 Cb -0.13 -1.60 0.06 0.00 1.10 0.00 0.00 33.01 32.43 1pww s GLN 537 CO -0.07 0.14 0.56 0.43 -0.55 0.00 0.00 175.29 175.80 1pww n SER 538 N 3.50 -1.54 -1.55 6.67 7.64 -1.26 -1.28 113.62 125.81 1pww n SER 538 Ca -0.20 -1.01 -0.20 0.00 1.01 0.00 0.00 58.87 58.47 1pww n SER 538 Cb 0.52 -2.94 -0.08 0.00 -1.01 0.00 0.00 64.21 60.71 1pww n SER 538 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1pww n GLU 539 N -4.42 -1.37 -4.50 1.43 -0.58 -1.26 -4.98 120.64 104.96 1pww n GLU 539 Ca -0.16 1.17 -0.20 0.00 -0.42 0.00 0.00 57.16 57.55 1pww n GLU 539 Cb 0.61 -5.52 -0.15 0.00 -0.57 0.00 0.00 31.44 25.82 1pww n GLU 539 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1pww s LYS 540 N -3.75 0.95 0.11 3.49 2.20 -0.41 -4.92 119.74 117.42 1pww s LYS 540 Ca 0.00 -0.47 -0.25 0.00 -0.36 0.00 0.00 55.97 54.89 1pww s LYS 540 Cb 0.00 -0.92 -0.07 0.00 -1.51 0.00 0.00 37.83 35.33 1pww s LYS 540 CO 0.00 0.25 0.76 -1.21 -0.36 0.00 0.00 175.35 174.79 1pww s GLU 541 N -0.40 4.52 0.13 4.03 2.02 -0.71 -1.30 118.70 126.99 1pww s GLU 541 Ca 0.04 1.10 0.01 0.00 0.02 0.00 0.00 54.97 56.15 1pww s GLU 541 Cb -0.05 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.83 1pww s GLU 541 CO -0.00 0.45 -0.02 0.71 0.02 0.00 0.00 175.26 176.42 1pww s TYR 542 N -0.67 0.99 -0.48 1.61 1.51 -0.76 -4.77 117.35 114.79 1pww s TYR 542 Ca 0.37 -1.02 -0.16 0.00 -1.01 0.00 0.00 57.07 55.25 1pww s TYR 542 Cb -0.22 -0.57 0.07 0.00 -0.11 0.00 0.00 41.96 41.13 1pww s TYR 542 CO 0.25 -0.25 0.43 0.42 -1.11 0.00 0.00 175.55 175.29 1pww s ILE 543 N -3.72 5.19 0.35 2.71 1.01 -0.56 -1.26 121.20 124.91 1pww s ILE 543 Ca 0.18 -0.99 -0.27 0.00 0.00 0.00 0.00 60.65 59.57 1pww s ILE 543 Cb 0.06 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 38.29 1pww s ILE 543 CO -0.01 -0.61 1.23 -0.60 0.00 0.00 0.00 174.94 174.96 1pww s ARG 544 N 1.78 4.27 -0.26 2.79 6.06 0.40 -2.24 118.95 131.75 1pww s ARG 544 Ca 0.06 2.03 -0.02 0.00 -2.50 0.00 0.00 55.73 55.29 1pww s ARG 544 Cb -0.24 -2.94 0.08 0.00 0.06 0.00 0.00 34.95 31.92 1pww s ARG 544 CO 0.07 -0.20 0.08 0.42 -2.50 0.00 0.00 175.30 173.18 1pww s ILE 545 N -1.24 0.52 -0.24 4.11 1.01 -0.83 -2.80 121.20 121.74 1pww s ILE 545 Ca 0.51 -0.91 -0.20 0.00 0.00 0.00 0.00 60.65 60.05 1pww s ILE 545 Cb -0.36 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 1pww s ILE 545 CO 0.46 -0.49 0.63 -1.81 0.00 0.00 0.00 174.94 173.73 1pww s ASP 546 N 1.82 6.61 0.06 3.58 1.01 -0.44 -1.26 116.67 128.05 1pww s ASP 546 Ca 0.05 0.75 0.04 0.00 0.71 0.00 0.00 52.55 54.11 1pww s ASP 546 Cb -0.17 -2.34 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 1pww s ASP 546 CO -0.20 -0.34 -0.13 0.00 0.21 0.00 0.00 175.17 174.71 1pww s ALA 547 N 2.30 1.05 -0.06 5.23 0.00 -0.65 -0.03 121.76 129.59 1pww s ALA 547 Ca 0.27 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.39 1pww s ALA 547 Cb -0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 1pww s ALA 547 CO 0.09 0.15 -0.22 0.21 0.00 0.00 0.00 175.76 175.99 1pww s LYS 548 N -1.49 2.62 0.38 0.00 2.20 0.19 -1.12 119.74 122.52 1pww s LYS 548 Ca -0.02 -0.84 -0.26 0.00 -0.36 0.00 0.00 55.97 54.48 1pww s LYS 548 Cb -0.09 -2.25 -0.09 0.00 -1.51 0.00 0.00 37.83 33.89 1pww s LYS 548 CO 0.02 0.42 1.20 0.08 -0.36 0.00 0.00 175.35 176.71 1pww s VAL 549 N -0.23 3.04 0.11 4.02 1.01 -0.43 -1.21 120.40 126.71 1pww s VAL 549 Ca -0.01 0.92 -0.18 0.00 0.00 0.00 0.00 61.98 62.71 1pww s VAL 549 Cb -0.13 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.75 1pww s VAL 549 CO 0.03 0.13 0.44 0.68 0.00 0.00 0.00 175.10 176.38 1pww s VAL 550 N -1.32 0.05 -0.05 2.92 -7.23 -0.35 -4.71 120.40 109.71 1pww s VAL 550 Ca 0.54 -0.45 -0.37 0.00 -1.81 0.00 0.00 61.98 59.89 1pww s VAL 550 Cb -0.33 -1.10 -0.15 0.00 0.56 0.00 0.00 36.38 35.36 1pww s VAL 550 CO 0.43 -0.25 1.61 -2.65 -0.31 0.00 0.00 175.10 173.92 1pww n PRO 551 N -0.09 1.49 -0.26 4.82 -0.02 -1.26 -2.61 135.00 137.07 1pww n PRO 551 Ca -0.17 0.54 0.10 0.00 -2.02 0.00 0.00 63.50 61.95 1pww n PRO 551 Cb 0.63 -2.25 0.35 0.00 -0.02 0.00 0.00 33.50 32.21 1pww n PRO 551 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1pww h LYS 552 N 6.46 0.74 -0.92 -0.52 3.64 -1.88 -0.84 116.57 123.25 1pww h LYS 552 Ca -0.47 -0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.02 1pww h LYS 552 Cb 1.31 -0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 32.88 1pww h LYS 552 CO 0.88 0.49 0.59 0.66 -2.27 0.00 0.00 179.45 179.80 1pww h SER 553 N 0.76 0.67 -0.46 4.20 4.64 -1.93 0.29 113.55 121.72 1pww h SER 553 Ca 0.42 0.05 0.01 0.00 -0.47 0.00 0.00 61.79 61.80 1pww h SER 553 Cb 0.57 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 1pww h SER 553 CO -0.19 0.32 0.30 0.11 -0.87 0.00 0.00 176.83 176.50 1pww h LYS 554 N 0.70 0.59 -0.48 4.77 1.57 -1.50 -0.68 116.57 121.53 1pww h LYS 554 Ca 0.47 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 59.10 1pww h LYS 554 Cb 0.77 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1pww h LYS 554 CO -0.23 0.39 -0.15 0.82 -0.57 0.00 0.00 179.45 179.71 1pww h ILE 555 N 0.60 1.27 -0.24 1.86 2.04 -0.74 -2.86 117.51 119.45 1pww h ILE 555 Ca 0.17 -1.29 0.05 0.00 1.00 0.00 0.00 64.86 64.79 1pww h ILE 555 Cb -0.05 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 1pww h ILE 555 CO -0.05 0.45 -0.11 0.44 0.00 0.00 0.00 178.15 178.87 1pww h ASP 556 N 0.79 -0.38 -0.78 1.72 3.45 0.00 -2.38 116.42 118.84 1pww h ASP 556 Ca 0.12 0.09 0.03 0.00 0.43 0.00 0.00 57.03 57.70 1pww h ASP 556 Cb 0.71 0.21 -0.05 0.00 -0.56 0.00 0.00 39.33 39.64 1pww h ASP 556 CO 0.05 -0.14 0.50 0.74 -1.57 0.00 0.00 179.24 178.82 1pww h THR 557 N -0.08 1.13 -0.43 0.35 2.02 -1.03 -1.46 112.91 113.41 1pww h THR 557 Ca 0.13 -0.34 0.07 0.00 0.77 0.00 0.00 66.41 67.03 1pww h THR 557 Cb 0.27 0.06 -0.06 0.00 -1.74 0.00 0.00 68.15 66.68 1pww h THR 557 CO -0.29 0.18 0.10 0.11 0.37 0.00 0.00 175.52 175.99 1pww h LYS 558 N 0.99 0.23 -0.13 6.66 1.57 -1.25 -0.23 116.57 124.41 1pww h LYS 558 Ca 0.31 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.12 1pww h LYS 558 Cb -0.02 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.18 1pww h LYS 558 CO -0.10 0.15 -0.29 0.82 -0.57 0.00 0.00 179.45 179.46 1pww h ILE 559 N 0.23 0.34 -0.49 1.86 1.08 -0.84 0.26 117.51 119.95 1pww h ILE 559 Ca 0.21 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.75 1pww h ILE 559 Cb 0.25 0.34 -0.06 0.00 -3.07 0.00 0.00 36.82 34.28 1pww h ILE 559 CO -0.26 0.00 0.16 -0.61 -0.69 0.00 0.00 178.15 176.75 1pww h GLN 560 N -0.36 0.32 -0.73 2.37 4.15 -0.55 -0.48 115.11 119.82 1pww h GLN 560 Ca 0.10 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1pww h GLN 560 Cb 0.51 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.10 1pww h GLN 560 CO -0.34 0.21 0.41 0.93 -1.93 0.00 0.00 178.83 178.12 1pww h GLU 561 N 0.33 1.00 -0.38 1.69 5.08 -0.34 -0.62 114.58 121.34 1pww h GLU 561 Ca 0.24 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1pww h GLU 561 Cb 0.26 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1pww h GLU 561 CO -0.25 0.73 0.12 0.00 -1.00 0.00 0.00 179.01 178.60 1pww h ALA 562 N 1.44 0.50 -0.15 3.43 0.00 -0.11 -0.87 119.26 123.50 1pww h ALA 562 Ca 0.26 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1pww h ALA 562 Cb 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1pww h ALA 562 CO -0.04 0.14 -0.06 0.37 0.00 0.00 0.00 179.25 179.65 1pww h GLN 563 N 0.47 -0.04 -0.28 0.00 4.15 -0.11 0.19 115.11 119.48 1pww h GLN 563 Ca 0.12 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.58 1pww h GLN 563 Cb 0.26 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 1pww h GLN 563 CO -0.00 -0.03 0.08 1.25 -1.93 0.00 0.00 178.83 178.20 1pww h LEU 564 N -0.04 0.08 0.66 -2.39 5.85 -0.97 -2.62 115.31 115.87 1pww h LEU 564 Ca 0.08 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1pww h LEU 564 Cb 0.16 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1pww h LEU 564 CO -0.18 0.08 -0.34 -1.13 -0.34 0.00 0.00 178.44 176.53 1pww h ASN 565 N 0.20 -0.82 -0.22 1.25 -0.73 -0.53 -2.30 115.58 112.42 1pww h ASN 565 Ca 0.13 0.03 0.06 0.00 1.87 0.00 0.00 56.30 58.39 1pww h ASN 565 Cb 0.11 0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.91 1pww h ASN 565 CO -0.14 -0.57 0.28 -0.29 -0.37 0.00 0.00 177.43 176.35 1pww h ILE 566 N -0.92 0.35 0.00 2.57 2.10 -0.58 0.18 117.51 121.21 1pww h ILE 566 Ca -0.09 0.00 -0.17 0.00 1.08 0.00 0.00 64.86 65.68 1pww h ILE 566 Cb 0.72 0.76 -0.03 0.00 -1.09 0.00 0.00 36.82 37.19 1pww h ILE 566 CO 0.13 0.00 -0.86 0.78 -1.08 0.00 0.00 178.15 177.12 1pww h ASN 567 N 0.00 0.00 0.00 2.19 2.35 -1.19 -2.72 115.58 116.21 1pww h ASN 567 Ca 0.10 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1pww h ASN 567 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1pww h ASN 567 CO -0.00 0.78 -0.02 1.56 -1.65 0.00 0.00 177.43 178.10 1pww h GLN 568 N 0.00 0.01 -0.74 0.81 4.20 -0.17 -1.33 115.11 117.90 1pww h GLN 568 Ca -0.03 -0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.78 1pww h GLN 568 Cb 1.62 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 29.32 1pww h GLN 568 CO 0.10 0.82 0.34 1.49 -0.67 0.00 0.00 178.83 180.91 1pww h GLU 569 N -0.79 0.53 0.10 1.46 4.81 -1.16 -2.71 114.58 116.83 1pww h GLU 569 Ca -0.00 -0.03 -0.30 0.00 -0.13 0.00 0.00 59.36 58.90 1pww h GLU 569 Cb 0.83 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1pww h GLU 569 CO 0.00 0.35 -1.50 -1.49 -0.73 0.00 0.00 179.01 175.65 1pww h TRP 570 N 0.55 0.40 -0.98 0.92 4.06 -1.55 -2.86 115.95 116.49 1pww h TRP 570 Ca 0.38 -0.29 0.19 0.00 2.06 0.00 0.00 58.89 61.22 1pww h TRP 570 Cb 0.48 -0.02 -0.09 0.00 -1.00 0.00 0.00 29.16 28.53 1pww h TRP 570 CO -0.13 1.34 0.61 -0.91 -3.56 0.00 0.00 178.44 175.79 1pww h ASN 571 N 0.06 0.71 0.64 -3.49 -0.26 -1.09 -0.83 115.58 111.32 1pww h ASN 571 Ca -0.23 0.08 -0.03 0.00 -0.56 0.00 0.00 56.30 55.56 1pww h ASN 571 Cb 2.00 -0.05 0.01 0.00 -1.06 0.00 0.00 38.32 39.21 1pww h ASN 571 CO 0.16 0.27 -0.31 0.50 -1.06 0.00 0.00 177.43 176.99 1pww h LYS 572 N 0.70 -0.83 0.00 0.81 3.64 -1.52 0.57 116.57 119.94 1pww h LYS 572 Ca 0.55 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.98 1pww h LYS 572 Cb 0.93 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1pww h LYS 572 CO -0.32 -0.55 0.17 0.00 -2.27 0.00 0.00 179.45 176.47 1pww h ALA 573 N -1.34 1.13 -0.00 5.00 0.00 -1.08 -0.01 119.26 122.96 1pww h ALA 573 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1pww h ALA 573 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1pww h ALA 573 CO 0.14 -0.13 -0.45 1.28 0.00 0.00 0.00 179.25 180.10 1pww n LEU 574 N -2.42 0.82 -0.93 0.00 4.77 -0.40 -4.98 117.00 113.86 1pww n LEU 574 Ca -0.02 -0.59 -0.08 0.00 -0.03 0.00 0.00 56.01 55.29 1pww n LEU 574 Cb 0.21 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1pww n LEU 574 CO 0.10 0.18 -0.10 0.61 -1.33 0.00 0.00 177.39 176.85 1pww n GLY 575 N 1.18 0.06 3.85 -0.72 0.00 -0.02 -4.90 105.19 104.63 1pww n GLY 575 Ca 0.03 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 1pww n GLY 575 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pww s LEU 576 N -2.35 3.90 1.03 0.99 1.43 0.12 -5.02 118.68 118.77 1pww s LEU 576 Ca 0.00 1.40 -0.21 0.00 -1.03 0.00 0.00 54.13 54.29 1pww s LEU 576 Cb 0.00 -4.26 -0.06 0.00 0.03 0.00 0.00 46.19 41.90 1pww s LEU 576 CO 0.00 -0.36 -0.65 -2.65 0.23 0.00 0.00 176.35 172.92 1pww n PRO 577 N -0.87 -0.57 -2.84 1.29 -0.02 -1.26 -4.65 135.00 126.07 1pww n PRO 577 Ca 0.05 -0.16 -0.40 0.00 -2.02 0.00 0.00 63.50 60.97 1pww n PRO 577 Cb 0.54 -1.35 -0.06 0.00 -0.02 0.00 0.00 33.50 32.61 1pww n PRO 577 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1pww s LYS 578 N -2.70 4.70 -0.46 -0.52 2.20 -1.26 -3.70 119.74 118.01 1pww s LYS 578 Ca 0.46 1.33 -0.00 0.00 -0.36 0.00 0.00 55.97 57.41 1pww s LYS 578 Cb -0.06 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 1pww s LYS 578 CO 0.69 0.45 0.01 0.66 -0.36 0.00 0.00 175.35 176.79 1pww n TYR 579 N 1.94 -0.27 -2.80 4.03 0.53 -1.26 -5.03 117.16 114.30 1pww n TYR 579 Ca -0.02 0.01 -0.33 0.00 -1.02 0.00 0.00 57.90 56.53 1pww n TYR 579 Cb 0.48 -1.77 -0.07 0.00 -1.03 0.00 0.00 39.34 36.96 1pww n TYR 579 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 1pww s THR 580 N -2.29 4.37 -0.75 -0.72 2.01 -1.24 -5.01 115.64 112.02 1pww s THR 580 Ca 0.00 1.47 -0.00 0.00 0.31 0.00 0.00 61.69 63.47 1pww s THR 580 Cb -0.00 -3.60 0.19 0.00 0.01 0.00 0.00 72.50 69.10 1pww s THR 580 CO 0.00 -0.32 0.58 -0.54 -0.69 0.00 0.00 174.62 173.65 1pww s LYS 581 N -3.19 2.81 -0.25 4.92 1.02 -1.26 -4.87 119.74 118.91 1pww s LYS 581 Ca 0.62 -3.01 -0.04 0.00 0.02 0.00 0.00 55.97 53.56 1pww s LYS 581 Cb -0.09 -3.74 -0.16 0.00 -0.52 0.00 0.00 37.83 33.31 1pww s LYS 581 CO 0.14 -1.23 -0.21 -0.11 -0.92 0.00 0.00 175.35 173.01 1pww n LEU 582 N 2.69 2.61 -4.87 3.17 7.94 -1.26 -4.84 117.00 122.45 1pww n LEU 582 Ca 0.16 0.05 -0.37 0.00 -1.11 0.00 0.00 56.01 54.73 1pww n LEU 582 Cb 0.37 -0.90 -0.06 0.00 0.53 0.00 0.00 43.42 43.36 1pww n LEU 582 CO 0.34 0.80 -0.11 -0.63 -1.11 0.00 0.00 177.39 176.68 1pww s ILE 583 N -2.51 5.39 0.00 1.96 1.09 -1.26 -0.61 121.20 125.26 1pww s ILE 583 Ca -0.35 0.34 0.04 0.00 -1.10 0.00 0.00 60.65 59.58 1pww s ILE 583 Cb 0.11 -3.48 -0.01 0.00 -1.06 0.00 0.00 42.46 38.02 1pww s ILE 583 CO 0.58 0.60 -0.12 -0.89 -0.10 0.00 0.00 174.94 175.01 1pww s THR 584 N -1.05 0.95 -0.36 2.92 2.01 -0.20 -4.91 115.64 115.00 1pww s THR 584 Ca 0.18 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.54 1pww s THR 584 Cb -0.13 -0.82 0.09 0.00 0.01 0.00 0.00 72.50 71.65 1pww s THR 584 CO 0.07 0.18 0.09 -0.36 -0.69 0.00 0.00 174.62 173.91 1pww s PHE 585 N -0.45 3.58 -0.84 4.92 2.99 -1.26 -1.33 117.98 125.59 1pww s PHE 585 Ca 0.03 -2.54 -0.09 0.00 0.00 0.00 0.00 56.93 54.34 1pww s PHE 585 Cb -0.05 -2.85 0.22 0.00 0.00 0.00 0.00 43.02 40.33 1pww s PHE 585 CO 0.00 -0.93 0.75 1.21 -0.00 0.00 0.00 175.22 176.25 1pww s ASN 586 N 1.35 6.37 -0.07 1.36 3.84 -0.66 -5.02 114.94 122.11 1pww s ASN 586 Ca 0.06 -3.05 0.05 0.00 0.21 0.00 0.00 52.86 50.13 1pww s ASN 586 Cb -0.21 -2.08 -0.00 0.00 -0.55 0.00 0.00 41.25 38.41 1pww s ASN 586 CO -0.05 -0.41 -0.24 -0.69 -2.79 0.00 0.00 177.10 172.92 1pww s VAL 587 N -0.38 1.98 0.00 -5.21 1.01 -1.26 -2.86 120.40 113.68 1pww s VAL 587 Ca 0.21 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1pww s VAL 587 Cb -0.12 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1pww s VAL 587 CO -0.08 0.55 0.01 1.41 0.00 0.00 0.00 175.10 176.99 1pww n HIS 588 N 3.24 0.00 -1.98 5.22 8.25 -1.26 -5.02 115.22 123.66 1pww n HIS 588 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1pww n HIS 588 Cb 0.52 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.65 1pww n HIS 588 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1pww n ASN 589 N 0.00 0.48 -0.17 0.41 4.13 -1.26 -3.60 115.26 115.24 1pww n ASN 589 Ca 0.00 0.00 0.09 0.00 1.68 0.00 0.00 54.58 56.35 1pww n ASN 589 Cb 0.26 0.00 0.44 0.00 -1.54 0.00 0.00 39.78 38.94 1pww n ASN 589 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1pww n ARG 590 N 0.00 1.22 -1.52 3.52 5.12 -0.71 0.82 116.66 125.12 1pww n ARG 590 Ca 0.00 -0.34 0.04 0.00 -1.93 0.00 0.00 57.85 55.62 1pww n ARG 590 Cb 0.00 -1.29 0.04 0.00 -1.16 0.00 0.00 32.46 30.05 1pww n ARG 590 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 1pww n TYR 591 N -0.42 0.14 -0.25 -1.55 9.36 -1.26 -4.64 117.16 118.53 1pww n TYR 591 Ca 0.13 -0.77 -0.10 0.00 3.32 0.00 0.00 57.90 60.48 1pww n TYR 591 Cb 0.14 -0.17 -0.07 0.00 -0.63 0.00 0.00 39.34 38.61 1pww n TYR 591 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1pww h ALA 592 N 1.15 -0.50 -0.73 2.98 0.00 -1.65 -1.23 119.26 119.27 1pww h ALA 592 Ca -0.19 0.09 0.16 0.00 0.00 0.00 0.00 54.91 54.97 1pww h ALA 592 Cb 1.74 1.13 -0.12 0.00 0.00 0.00 0.00 17.79 20.54 1pww h ALA 592 CO 0.10 -0.93 0.06 0.66 0.00 0.00 0.00 179.25 179.15 1pww h SER 593 N -0.21 -0.22 0.82 0.00 4.64 -1.54 0.71 113.55 117.74 1pww h SER 593 Ca 0.15 0.17 -0.06 0.00 -0.47 0.00 0.00 61.79 61.58 1pww h SER 593 Cb 0.54 0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.91 1pww h SER 593 CO -0.74 -0.13 -0.31 -1.13 -0.87 0.00 0.00 176.83 173.65 1pww h ASN 594 N 0.15 0.00 -0.44 4.97 -0.73 -1.22 -2.42 115.58 115.89 1pww h ASN 594 Ca 0.40 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.55 1pww h ASN 594 Cb 0.70 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.27 1pww h ASN 594 CO -0.60 0.31 0.20 0.40 -0.37 0.00 0.00 177.43 177.37 1pww h ILE 595 N 0.00 1.19 0.02 2.57 1.08 -0.14 -1.92 117.51 120.30 1pww h ILE 595 Ca -0.00 -0.55 -0.00 0.00 -0.39 0.00 0.00 64.86 63.91 1pww h ILE 595 Cb 0.80 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 1pww h ILE 595 CO 0.04 0.21 -0.01 0.58 -0.69 0.00 0.00 178.15 178.28 1pww h VAL 596 N 0.58 1.24 0.35 1.67 2.07 -1.32 -3.13 116.25 117.70 1pww h VAL 596 Ca 0.15 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1pww h VAL 596 Cb 0.14 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1pww h VAL 596 CO -0.02 0.21 -0.43 -0.33 0.02 0.00 0.00 177.57 177.02 1pww h GLU 597 N -0.38 -0.79 -0.96 1.57 4.39 -1.38 -2.30 114.58 114.73 1pww h GLU 597 Ca -0.00 0.05 0.30 0.00 0.34 0.00 0.00 59.36 60.05 1pww h GLU 597 Cb 0.36 0.18 -0.15 0.00 -0.10 0.00 0.00 28.75 29.04 1pww h GLU 597 CO 0.00 -0.53 0.43 0.66 -1.16 0.00 0.00 179.01 178.42 1pww h SER 598 N -0.82 0.29 -0.94 1.42 4.64 -1.42 0.26 113.55 116.98 1pww h SER 598 Ca -0.03 0.20 0.27 0.00 -0.47 0.00 0.00 61.79 61.77 1pww h SER 598 Cb 0.75 0.21 -0.14 0.00 -0.31 0.00 0.00 62.40 62.90 1pww h SER 598 CO -0.11 -0.17 0.39 0.00 -0.87 0.00 0.00 176.83 176.07 1pww h ALA 599 N 1.84 1.57 -0.25 5.18 0.00 -1.35 0.57 119.26 126.82 1pww h ALA 599 Ca 0.68 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.77 1pww h ALA 599 Cb 1.51 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1pww h ALA 599 CO -0.65 -0.50 0.09 1.88 0.00 0.00 0.00 179.25 180.07 1pww h TYR 600 N 0.28 0.40 -0.40 0.00 -1.99 -1.03 -1.61 116.97 112.61 1pww h TYR 600 Ca 0.63 -0.04 -0.03 0.00 2.00 0.00 0.00 58.73 61.30 1pww h TYR 600 Cb 1.34 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 39.94 1pww h TYR 600 CO -0.15 0.43 0.15 -0.07 -0.00 0.00 0.00 178.16 178.52 1pww h LEU 601 N 0.25 0.55 0.21 3.88 3.38 -0.26 -1.64 115.31 121.69 1pww h LEU 601 Ca 0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1pww h LEU 601 Cb 0.21 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1pww h LEU 601 CO -0.00 0.58 -0.13 0.40 0.09 0.00 0.00 178.44 179.38 1pww h ILE 602 N 0.49 0.72 -0.84 1.22 2.04 -0.07 -2.46 117.51 118.60 1pww h ILE 602 Ca 0.13 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.11 1pww h ILE 602 Cb 0.21 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 1pww h ILE 602 CO -0.01 0.00 0.55 -0.07 0.00 0.00 0.00 178.15 178.62 1pww h LEU 603 N -0.33 0.67 -0.02 1.44 3.38 -1.17 -0.81 115.31 118.47 1pww h LEU 603 Ca -0.02 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pww h LEU 603 Cb 0.28 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1pww h LEU 603 CO 0.02 0.37 0.01 0.78 0.09 0.00 0.00 178.44 179.71 1pww h ASN 604 N 0.72 0.03 -0.41 -0.43 2.35 -0.93 -1.14 115.58 115.77 1pww h ASN 604 Ca 0.40 -0.17 0.08 0.00 -0.55 0.00 0.00 56.30 56.07 1pww h ASN 604 Cb 0.56 -0.01 -0.07 0.00 0.05 0.00 0.00 38.32 38.86 1pww h ASN 604 CO -0.17 0.19 -0.01 -0.33 -1.65 0.00 0.00 177.43 175.46 1pww h GLU 605 N -0.12 0.09 -0.37 0.81 4.39 -0.97 0.59 114.58 119.00 1pww h GLU 605 Ca 0.01 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.78 1pww h GLU 605 Cb 0.17 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.71 1pww h GLU 605 CO -0.00 0.06 -0.24 2.35 -1.16 0.00 0.00 179.01 180.02 1pww h TRP 606 N 0.09 -0.64 -0.22 4.33 7.01 -0.86 -0.57 115.95 125.09 1pww h TRP 606 Ca 0.20 0.05 -0.18 0.00 2.11 0.00 0.00 58.89 61.07 1pww h TRP 606 Cb 0.29 0.34 0.00 0.00 -2.10 0.00 0.00 29.16 27.69 1pww h TRP 606 CO -0.28 -0.32 -0.57 -0.22 -2.79 0.00 0.00 178.44 174.26 1pww h LYS 607 N -0.19 0.78 0.00 2.65 1.63 -0.52 -2.76 116.57 118.15 1pww h LYS 607 Ca 0.18 -0.54 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 1pww h LYS 607 Cb 0.47 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1pww h LYS 607 CO -0.48 1.17 0.00 -0.91 -3.45 0.00 0.00 179.45 175.78 1pww h ASN 608 N 0.52 0.00 -0.00 4.20 -0.26 0.64 -3.12 115.58 117.55 1pww h ASN 608 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1pww h ASN 608 Cb 1.19 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.45 1pww h ASN 608 CO 0.12 0.00 -0.29 0.59 -1.06 0.00 0.00 177.43 176.79 1pww n ASN 609 N -2.86 0.61 -4.09 5.81 5.03 -0.26 -4.99 115.26 114.51 1pww n ASN 609 Ca -0.01 -0.81 -0.29 0.00 0.87 0.00 0.00 54.58 54.34 1pww n ASN 609 Cb 0.15 0.81 -0.17 0.00 -1.02 0.00 0.00 39.78 39.56 1pww n ASN 609 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1pww s ILE 610 N -1.53 1.59 -0.13 2.41 1.01 -1.05 -4.87 121.20 118.63 1pww s ILE 610 Ca 0.04 -0.71 -0.30 0.00 0.00 0.00 0.00 60.65 59.68 1pww s ILE 610 Cb 0.06 -1.43 -0.14 0.00 0.01 0.00 0.00 42.46 40.96 1pww s ILE 610 CO 0.27 0.46 0.89 1.67 0.00 0.00 0.00 174.94 178.23 1pww n GLN 611 N 4.02 0.00 -0.34 2.79 0.00 -1.26 -4.73 117.38 117.86 1pww n GLN 611 Ca -0.20 0.00 0.17 0.00 -0.00 0.00 0.00 57.00 56.97 1pww n GLN 611 Cb 0.52 -1.05 0.37 0.00 0.00 0.00 0.00 30.24 30.07 1pww n GLN 611 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1pww h SER 612 N 2.63 0.63 -0.26 1.69 0.87 -1.97 -2.39 113.55 114.75 1pww h SER 612 Ca -0.34 0.14 -0.16 0.00 -1.23 0.00 0.00 61.79 60.19 1pww h SER 612 Cb 0.99 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1pww h SER 612 CO 0.54 0.10 -0.46 0.44 -0.53 0.00 0.00 176.83 176.92 1pww h ASP 613 N 0.56 0.90 -0.41 6.23 5.19 -1.99 -1.92 116.42 124.97 1pww h ASP 613 Ca 0.63 -0.44 0.05 0.00 -0.62 0.00 0.00 57.03 56.65 1pww h ASP 613 Cb 1.18 -0.25 -0.05 0.00 0.18 0.00 0.00 39.33 40.39 1pww h ASP 613 CO -0.48 1.21 0.15 0.25 -3.12 0.00 0.00 179.24 177.25 1pww h LEU 614 N 0.66 0.15 0.55 1.55 5.85 -1.77 0.31 115.31 122.60 1pww h LEU 614 Ca 0.04 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1pww h LEU 614 Cb 1.04 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1pww h LEU 614 CO 0.10 0.12 -0.41 0.40 -0.34 0.00 0.00 178.44 178.31 1pww h ILE 615 N 0.31 0.00 -0.25 4.05 1.08 -1.42 -1.37 117.51 119.91 1pww h ILE 615 Ca 0.19 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.71 1pww h ILE 615 Cb 0.18 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.88 1pww h ILE 615 CO -0.20 0.00 -0.05 0.11 -0.69 0.00 0.00 178.15 177.33 1pww h LYS 616 N -0.92 0.02 0.22 2.37 1.57 -1.09 0.84 116.57 119.58 1pww h LYS 616 Ca -0.07 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1pww h LYS 616 Cb 0.77 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 1pww h LYS 616 CO 0.02 0.01 -0.32 0.87 -0.57 0.00 0.00 179.45 179.46 1pww h LYS 617 N 0.02 -0.59 0.11 3.15 1.79 -0.37 -1.41 116.57 119.28 1pww h LYS 617 Ca 0.12 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 1pww h LYS 617 Cb 0.18 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1pww h LYS 617 CO -0.24 -0.39 -0.05 0.28 -1.08 0.00 0.00 179.45 177.96 1pww h VAL 618 N -0.61 0.91 -0.81 0.50 2.07 -1.08 -2.91 116.25 114.32 1pww h VAL 618 Ca 0.01 -0.08 0.14 0.00 0.82 0.00 0.00 66.70 67.58 1pww h VAL 618 Cb 0.59 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 1pww h VAL 618 CO -0.13 0.02 0.53 0.74 0.02 0.00 0.00 177.57 178.75 1pww h THR 619 N -0.19 0.84 -0.45 2.57 2.02 -0.73 -0.71 112.91 116.26 1pww h THR 619 Ca -0.02 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1pww h THR 619 Cb 0.15 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 1pww h THR 619 CO 0.03 0.10 0.22 0.78 0.37 0.00 0.00 175.52 177.02 1pww h ASN 620 N 0.57 0.58 -0.34 4.18 2.35 -1.06 0.12 115.58 121.97 1pww h ASN 620 Ca 0.40 -0.12 0.07 0.00 -0.55 0.00 0.00 56.30 56.10 1pww h ASN 620 Cb 0.73 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.89 1pww h ASN 620 CO -0.15 0.53 -0.06 0.22 -1.65 0.00 0.00 177.43 176.31 1pww h TYR 621 N 0.58 -0.14 -0.43 1.19 3.20 -1.04 0.92 116.97 121.25 1pww h TYR 621 Ca 0.15 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1pww h TYR 621 Cb 0.10 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1pww h TYR 621 CO -0.01 -0.12 0.29 -0.07 -1.64 0.00 0.00 178.16 176.60 1pww h LEU 622 N 0.03 0.50 -1.48 2.82 3.38 -0.89 -1.62 115.31 118.04 1pww h LEU 622 Ca 0.16 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1pww h LEU 622 Cb 0.25 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1pww h LEU 622 CO -0.33 0.36 -0.25 0.58 0.09 0.00 0.00 178.44 178.89 1pww h VAL 623 N 0.59 0.90 0.00 1.22 2.07 0.61 0.49 116.25 122.12 1pww h VAL 623 Ca 0.16 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1pww h VAL 623 Cb -0.07 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1pww h VAL 623 CO -0.03 0.25 0.00 0.44 0.02 0.00 0.00 177.57 178.24 1pww h ASP 624 N 0.00 0.00 -0.33 0.57 3.32 0.18 -1.79 116.42 118.37 1pww h ASP 624 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pww h ASP 624 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1pww h ASP 624 CO 0.03 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.16 1pww n GLY 625 N 0.43 3.77 3.62 2.75 0.00 -0.55 -4.93 105.19 110.28 1pww n GLY 625 Ca 0.03 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.79 1pww n GLY 625 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pww n ASN 626 N -0.22 -4.85 -3.84 1.61 2.85 -0.67 -4.78 115.26 105.35 1pww n ASN 626 Ca 0.22 -0.59 -0.30 0.00 -0.11 0.00 0.00 54.58 53.80 1pww n ASN 626 Cb 0.93 -3.90 0.23 0.00 1.24 0.00 0.00 39.78 38.28 1pww n ASN 626 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1pww s GLY 627 N -3.06 1.66 0.09 8.20 0.00 0.16 -4.98 107.32 109.39 1pww s GLY 627 Ca 0.54 -1.09 -0.09 0.00 0.00 0.00 0.00 44.72 44.08 1pww s GLY 627 CO 0.67 -0.22 0.20 0.50 0.00 0.00 0.00 173.10 174.25 1pww s ARG 628 N -5.61 0.86 -0.40 2.90 1.81 -1.25 -4.76 118.95 112.49 1pww s ARG 628 Ca 0.73 -0.93 -0.01 0.00 -1.72 0.00 0.00 55.73 53.79 1pww s ARG 628 Cb -0.07 0.35 0.11 0.00 -0.45 0.00 0.00 34.95 34.89 1pww s ARG 628 CO 0.55 -0.28 0.18 -0.06 -0.68 0.00 0.00 175.30 175.01 1pww s PHE 629 N -3.83 3.62 -0.15 -0.53 2.99 0.21 -1.59 117.98 118.70 1pww s PHE 629 Ca 0.05 -2.57 -0.15 0.00 0.00 0.00 0.00 56.93 54.25 1pww s PHE 629 Cb 0.05 -3.15 -0.04 0.00 0.00 0.00 0.00 43.02 39.87 1pww s PHE 629 CO -0.11 -0.96 0.36 0.08 -0.00 0.00 0.00 175.22 174.59 1pww s VAL 630 N 1.02 5.26 -0.17 -0.44 1.01 -0.20 -1.04 120.40 125.84 1pww s VAL 630 Ca 0.09 0.69 -0.00 0.00 0.00 0.00 0.00 61.98 62.76 1pww s VAL 630 Cb -0.22 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1pww s VAL 630 CO -0.05 0.36 -0.15 -0.36 0.00 0.00 0.00 175.10 174.90 1pww s PHE 631 N 0.59 2.81 0.19 5.22 0.40 -0.44 -1.10 117.98 125.64 1pww s PHE 631 Ca 0.20 -1.18 -0.16 0.00 -0.60 0.00 0.00 56.93 55.19 1pww s PHE 631 Cb -0.14 -1.94 0.02 0.00 0.51 0.00 0.00 43.02 41.48 1pww s PHE 631 CO 0.06 -0.58 0.47 -0.08 0.70 0.00 0.00 175.22 175.80 1pww s THR 632 N 1.06 0.03 -0.30 0.64 -1.32 -0.96 -1.65 115.64 113.14 1pww s THR 632 Ca -0.01 -0.94 0.03 0.00 -1.21 0.00 0.00 61.69 59.57 1pww s THR 632 Cb -0.14 -1.66 0.04 0.00 -1.51 0.00 0.00 72.50 69.23 1pww s THR 632 CO -0.04 -0.15 0.78 -0.90 -2.21 0.00 0.00 174.62 172.10 1pww n ASP 633 N -0.32 1.65 -4.92 8.08 5.75 -1.13 -0.84 116.55 124.82 1pww n ASP 633 Ca -0.09 -1.48 -0.28 0.00 -0.01 0.00 0.00 54.79 52.93 1pww n ASP 633 Cb 0.62 -0.02 -0.04 0.00 -1.03 0.00 0.00 41.12 40.65 1pww n ASP 633 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1pww s ILE 634 N -0.55 5.23 0.37 2.12 -4.36 -1.26 -4.85 121.20 117.91 1pww s ILE 634 Ca 0.04 -0.65 -0.28 0.00 -0.26 0.00 0.00 60.65 59.51 1pww s ILE 634 Cb 0.03 -3.65 -0.11 0.00 1.25 0.00 0.00 42.46 39.98 1pww s ILE 634 CO 0.04 -0.02 1.47 0.35 0.24 0.00 0.00 174.94 177.02 1pww n THR 635 N -0.26 1.99 -0.33 8.37 -2.24 -1.03 -4.92 114.28 115.86 1pww n THR 635 Ca -0.07 -0.50 0.14 0.00 -2.27 0.00 0.00 64.05 61.35 1pww n THR 635 Cb 0.53 -1.94 0.33 0.00 -2.10 0.00 0.00 70.33 67.15 1pww n THR 635 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1pww h LEU 636 N 2.93 0.63 -1.41 3.22 4.07 -1.89 0.84 115.31 123.70 1pww h LEU 636 Ca -0.50 0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.58 1pww h LEU 636 Cb 1.25 0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.01 1pww h LEU 636 CO 0.64 0.16 0.32 -0.65 -1.08 0.00 0.00 178.44 177.83 1pww h PRO 637 N 0.62 0.00 -0.63 1.13 0.11 -1.91 0.11 132.00 131.43 1pww h PRO 637 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 1pww h PRO 637 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1pww h PRO 637 CO -0.44 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.44 1pww n ASN 638 N -2.47 4.31 -4.46 -2.05 4.13 0.29 -4.57 115.26 110.44 1pww n ASN 638 Ca -0.01 -2.29 -0.38 0.00 1.68 0.00 0.00 54.58 53.57 1pww n ASN 638 Cb 0.36 -0.52 -0.12 0.00 -1.54 0.00 0.00 39.78 37.96 1pww n ASN 638 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1pww s ILE 639 N -1.55 4.65 0.52 2.41 1.09 0.37 -4.99 121.20 123.70 1pww s ILE 639 Ca 0.47 -0.31 0.35 0.00 -1.10 0.00 0.00 60.65 60.06 1pww s ILE 639 Cb 0.29 -3.32 0.54 0.00 -1.06 0.00 0.00 42.46 38.91 1pww s ILE 639 CO 0.26 0.13 1.77 0.00 -0.10 0.00 0.00 174.94 177.00 1pww h ALA 640 N 8.34 3.03 -0.01 9.38 0.00 -1.90 0.57 119.26 138.67 1pww h ALA 640 Ca -0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1pww h ALA 640 Cb 1.16 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1pww h ALA 640 CO 0.60 -1.42 0.09 0.93 0.00 0.00 0.00 179.25 179.46 1pww h GLU 641 N 0.06 0.00 0.00 0.00 3.07 -1.94 0.06 114.58 115.84 1pww h GLU 641 Ca 0.61 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 1pww h GLU 641 Cb 2.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.20 1pww h GLU 641 CO -0.07 0.00 -0.69 0.94 -1.40 0.00 0.00 179.01 177.79 1pww n GLN 642 N -3.13 0.37 0.28 2.33 7.27 0.20 -4.66 117.38 120.03 1pww n GLN 642 Ca -0.02 0.14 0.13 0.00 0.07 0.00 0.00 57.00 57.32 1pww n GLN 642 Cb 0.16 -1.13 0.80 0.00 2.41 0.00 0.00 30.24 32.48 1pww n GLN 642 CO 0.00 0.00 0.00 0.10 0.07 0.00 0.00 177.06 177.23 1pww h TYR 643 N -0.69 0.00 0.00 3.69 -0.00 -1.36 -2.09 116.97 116.52 1pww h TYR 643 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1pww h TYR 643 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.42 1pww h TYR 643 CO -0.30 0.04 0.00 0.25 -0.00 0.00 0.00 178.16 178.16 1pww n THR 644 N -3.94 0.22 -2.23 -0.90 -2.24 0.00 -2.69 114.28 102.51 1pww n THR 644 Ca -0.03 0.06 -0.26 0.00 -2.27 0.00 0.00 64.05 61.55 1pww n THR 644 Cb 0.13 -0.62 0.01 0.00 -2.10 0.00 0.00 70.33 67.75 1pww n THR 644 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1pww n HIS 645 N -1.42 3.08 -5.14 4.78 8.25 -0.79 -5.01 115.22 118.97 1pww n HIS 645 Ca 0.08 -2.66 -0.31 0.00 -0.26 0.00 0.00 57.72 54.57 1pww n HIS 645 Cb 0.26 -0.24 -0.17 0.00 1.12 0.00 0.00 29.99 30.96 1pww n HIS 645 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1pww s GLN 646 N -3.58 2.85 0.03 -0.41 -0.21 -1.09 -5.01 119.66 112.23 1pww s GLN 646 Ca 0.50 -0.82 -0.28 0.00 0.02 0.00 0.00 55.36 54.78 1pww s GLN 646 Cb 0.41 -2.17 -0.16 0.00 1.00 0.00 0.00 33.01 32.09 1pww s GLN 646 CO -0.08 0.17 1.28 -0.44 -2.12 0.00 0.00 175.29 174.10 1pww h ASP 647 N 6.72 -0.86 -3.01 5.90 3.32 -1.95 -3.45 116.42 123.08 1pww h ASP 647 Ca -0.21 0.03 -0.60 0.00 0.02 0.00 0.00 57.03 56.27 1pww h ASP 647 Cb 1.23 0.22 -0.17 0.00 0.22 0.00 0.00 39.33 40.83 1pww h ASP 647 CO 0.47 -0.56 -0.79 -1.61 -1.72 0.00 0.00 179.24 175.03 1pww s GLU 648 N -5.01 1.49 0.47 3.56 0.41 -1.26 -5.02 118.70 113.33 1pww s GLU 648 Ca -0.15 -1.57 0.32 0.00 -0.41 0.00 0.00 54.97 53.16 1pww s GLU 648 Cb 0.01 -1.66 1.67 0.00 -1.78 0.00 0.00 34.13 32.38 1pww s GLU 648 CO 0.45 0.34 1.96 0.82 -0.49 0.00 0.00 175.26 178.34 1pww h ILE 649 N 2.92 0.00 -0.02 -1.63 1.08 -1.89 -2.78 117.51 115.19 1pww h ILE 649 Ca -0.43 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 1pww h ILE 649 Cb 1.22 0.77 0.00 0.00 -3.07 0.00 0.00 36.82 35.75 1pww h ILE 649 CO 0.53 0.00 -0.13 0.00 -0.69 0.00 0.00 178.15 177.86 1pww n TYR 650 N -2.62 0.00 1.00 1.37 0.18 -1.26 -4.09 117.16 111.74 1pww n TYR 650 Ca -0.02 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.89 1pww n TYR 650 Cb 0.08 -0.03 0.42 0.00 -0.38 0.00 0.00 39.34 39.43 1pww n TYR 650 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1pww n GLU 651 N 0.25 0.00 -1.03 -3.48 1.02 -1.05 -4.74 120.64 111.62 1pww n GLU 651 Ca 0.15 -0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.93 1pww n GLU 651 Cb 0.43 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.40 1pww n GLU 651 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pww n GLN 652 N -1.50 -0.02 -3.94 3.49 10.64 -1.26 -5.04 117.38 119.75 1pww n GLN 652 Ca 0.06 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.14 1pww n GLN 652 Cb 0.34 -1.12 -0.11 0.00 -0.86 0.00 0.00 30.24 28.49 1pww n GLN 652 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1pww s VAL 653 N -2.04 0.09 -0.07 -0.39 1.01 -1.26 -5.07 120.40 112.68 1pww s VAL 653 Ca 0.45 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 1pww s VAL 653 Cb -0.24 -0.29 0.04 0.00 0.00 0.00 0.00 36.38 35.89 1pww s VAL 653 CO 0.78 -0.43 0.13 -2.28 0.00 0.00 0.00 175.10 173.30 1pww s HIS 654 N -1.33 -0.10 0.14 5.22 5.04 -1.26 -3.49 115.29 119.50 1pww s HIS 654 Ca -0.15 0.50 -0.03 0.00 -1.54 0.00 0.00 55.06 53.84 1pww s HIS 654 Cb -0.09 -0.32 0.01 0.00 0.04 0.00 0.00 32.58 32.23 1pww s HIS 654 CO -0.00 -0.24 0.25 -1.13 -2.34 0.00 0.00 174.74 171.28 1pww n SER 655 N 5.25 -0.72 -0.14 9.88 3.41 -1.26 -5.04 113.62 125.01 1pww n SER 655 Ca -0.05 -1.66 -0.10 0.00 -0.26 0.00 0.00 58.87 56.80 1pww n SER 655 Cb 0.50 1.25 -0.01 0.00 -0.26 0.00 0.00 64.21 65.69 1pww n SER 655 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1pww h LYS 656 N 0.00 0.65 -4.92 4.33 1.63 -1.92 -3.39 116.57 112.96 1pww h LYS 656 Ca -0.12 -0.18 -0.36 0.00 -0.85 0.00 0.00 60.65 59.15 1pww h LYS 656 Cb 0.46 -0.08 -0.14 0.00 -0.60 0.00 0.00 32.23 31.87 1pww h LYS 656 CO 0.15 0.71 -0.62 0.20 -3.45 0.00 0.00 179.45 176.44 1pww s GLY 657 N -3.17 1.72 -0.29 5.01 0.00 -1.26 -0.10 107.32 109.23 1pww s GLY 657 Ca -0.13 -1.86 -0.16 0.00 0.00 0.00 0.00 44.72 42.57 1pww s GLY 657 CO 0.78 -1.61 1.00 -2.27 0.00 0.00 0.00 173.10 170.99 1pww s LEU 658 N -3.32 -0.48 -0.25 0.66 2.96 -0.70 -4.96 118.68 112.60 1pww s LEU 658 Ca 0.37 0.75 -0.06 0.00 -0.22 0.00 0.00 54.13 54.97 1pww s LEU 658 Cb 0.08 1.68 -0.01 0.00 0.50 0.00 0.00 46.19 48.44 1pww s LEU 658 CO 0.13 -0.12 0.03 -0.47 -1.32 0.00 0.00 176.35 174.60 1pww s TYR 659 N 1.41 3.05 -0.45 5.38 5.04 -1.26 -0.89 117.35 129.64 1pww s TYR 659 Ca -0.08 -0.78 -0.11 0.00 -2.44 0.00 0.00 57.07 53.67 1pww s TYR 659 Cb -0.04 -2.19 0.09 0.00 0.35 0.00 0.00 41.96 40.18 1pww s TYR 659 CO -0.15 -0.49 0.32 0.08 -1.34 0.00 0.00 175.55 173.97 1pww s VAL 660 N 1.53 4.43 0.17 3.14 1.01 -0.66 -4.98 120.40 125.03 1pww s VAL 660 Ca 0.05 -1.46 -0.16 0.00 0.00 0.00 0.00 61.98 60.41 1pww s VAL 660 Cb -0.15 -3.76 0.08 0.00 0.00 0.00 0.00 36.38 32.54 1pww s VAL 660 CO 0.00 -0.61 1.69 -0.65 0.00 0.00 0.00 175.10 175.53 1pww h PRO 661 N 8.50 0.09 -0.39 2.72 0.11 -1.95 0.65 132.00 141.72 1pww h PRO 661 Ca -0.24 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.94 1pww h PRO 661 Cb 1.09 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1pww h PRO 661 CO 0.82 0.06 0.27 0.93 -0.21 0.00 0.00 178.00 179.87 1pww h GLU 662 N 0.09 0.20 -0.01 1.05 3.07 -1.95 -0.94 114.58 116.08 1pww h GLU 662 Ca 0.20 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 1pww h GLU 662 Cb 0.28 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1pww h GLU 662 CO -0.34 0.13 -0.18 -1.13 -1.40 0.00 0.00 179.01 176.09 1pww n SER 663 N -4.47 1.62 -3.97 1.42 3.41 -1.01 -5.00 113.62 105.63 1pww n SER 663 Ca 0.05 -1.31 -0.29 0.00 -0.26 0.00 0.00 58.87 57.06 1pww n SER 663 Cb 0.31 0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1pww n SER 663 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pww n ARG 664 N 0.11 -4.26 -4.29 4.33 1.74 0.22 -4.02 116.66 110.49 1pww n ARG 664 Ca 0.06 0.49 -0.19 0.00 -0.77 0.00 0.00 57.85 57.44 1pww n ARG 664 Cb 0.29 -5.09 -0.11 0.00 -1.02 0.00 0.00 32.46 26.53 1pww n ARG 664 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1pww s SER 665 N -3.75 2.33 -0.12 0.55 0.01 -1.00 -3.75 113.70 107.98 1pww s SER 665 Ca 0.41 -0.88 -0.00 0.00 1.31 0.00 0.00 55.95 56.79 1pww s SER 665 Cb -0.21 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 65.89 1pww s SER 665 CO 0.87 -0.12 -0.11 -0.63 0.41 0.00 0.00 173.24 173.66 1pww s ILE 666 N -2.32 3.28 -0.04 1.44 1.01 -0.62 -1.66 121.20 122.29 1pww s ILE 666 Ca 0.14 -0.59 0.06 0.00 0.00 0.00 0.00 60.65 60.27 1pww s ILE 666 Cb -0.04 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 1pww s ILE 666 CO 0.05 0.53 -0.23 -0.76 0.00 0.00 0.00 174.94 174.53 1pww s LEU 667 N 0.11 2.20 -0.15 2.97 1.43 -0.07 -1.03 118.68 124.14 1pww s LEU 667 Ca -0.05 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1pww s LEU 667 Cb -0.14 -1.39 0.03 0.00 0.03 0.00 0.00 46.19 44.71 1pww s LEU 667 CO 0.04 0.30 -0.12 -0.22 0.23 0.00 0.00 176.35 176.58 1pww s LEU 668 N -0.48 1.68 -0.01 1.79 2.96 -0.26 -1.72 118.68 122.64 1pww s LEU 668 Ca 0.06 -0.51 -0.24 0.00 -0.22 0.00 0.00 54.13 53.21 1pww s LEU 668 Cb -0.11 -1.13 -0.05 0.00 0.50 0.00 0.00 46.19 45.40 1pww s LEU 668 CO 0.01 -0.08 0.74 -2.28 -1.32 0.00 0.00 176.35 173.42 1pww s HIS 669 N 1.51 3.66 0.00 5.38 5.65 0.86 -2.27 115.29 130.09 1pww s HIS 669 Ca 0.04 1.38 0.00 0.00 0.25 0.00 0.00 55.06 56.73 1pww s HIS 669 Cb -0.13 -2.82 0.00 0.00 -1.18 0.00 0.00 32.58 28.45 1pww s HIS 669 CO -0.10 0.19 0.28 0.41 -0.65 0.00 0.00 174.74 174.87 1pww n GLY 670 N 2.71 -0.60 0.18 1.59 0.00 -0.02 -4.23 105.19 104.82 1pww n GLY 670 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1pww n GLY 670 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pww h PRO 671 N 0.00 0.00 -6.63 1.61 0.11 -1.84 -3.43 132.00 121.82 1pww h PRO 671 Ca 0.00 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.64 1pww h PRO 671 Cb 0.00 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.13 1pww h PRO 671 CO 0.00 0.00 -0.12 -1.54 -0.21 0.00 0.00 178.00 176.13 1pww s SER 672 N -3.25 6.16 -0.27 -2.05 1.04 -1.26 -0.78 113.70 113.29 1pww s SER 672 Ca -0.01 0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.90 1pww s SER 672 Cb 0.03 -1.93 0.05 0.00 0.10 0.00 0.00 66.02 64.27 1pww s SER 672 CO 0.10 -0.45 -0.06 -0.75 0.98 0.00 0.00 173.24 173.06 1pww s LYS 673 N -4.45 2.47 0.35 4.02 2.20 -1.26 -4.59 119.74 118.48 1pww s LYS 673 Ca 0.43 -1.22 -0.29 0.00 -0.36 0.00 0.00 55.97 54.54 1pww s LYS 673 Cb -0.10 -3.01 -0.11 0.00 -1.51 0.00 0.00 37.83 33.10 1pww s LYS 673 CO 0.38 -0.54 1.53 0.41 -0.36 0.00 0.00 175.35 176.77 1pww n GLY 674 N 4.56 1.26 3.71 5.54 0.00 -1.26 -4.89 105.19 114.11 1pww n GLY 674 Ca -0.15 0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1pww n GLY 674 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pww s VAL 675 N -0.76 2.81 -0.82 1.61 1.01 -1.26 -3.15 120.40 119.84 1pww s VAL 675 Ca 0.57 0.53 -0.02 0.00 0.00 0.00 0.00 61.98 63.06 1pww s VAL 675 Cb -0.48 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1pww s VAL 675 CO 0.59 0.03 0.73 -0.62 0.00 0.00 0.00 175.10 175.83 1pww n GLU 676 N 4.26 -1.48 -3.64 2.72 -0.58 -1.26 -5.03 120.64 115.63 1pww n GLU 676 Ca 0.14 1.26 -0.02 0.00 -0.42 0.00 0.00 57.16 58.12 1pww n GLU 676 Cb 0.39 -5.30 -0.07 0.00 -0.57 0.00 0.00 31.44 25.90 1pww n GLU 676 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1pww s LEU 677 N -4.46 -0.49 -0.00 -4.62 1.43 -1.19 -5.07 118.68 104.28 1pww s LEU 677 Ca 0.10 0.79 0.16 0.00 -1.03 0.00 0.00 54.13 54.15 1pww s LEU 677 Cb -0.02 1.72 -0.19 0.00 0.03 0.00 0.00 46.19 47.73 1pww s LEU 677 CO 0.77 -0.12 0.66 -2.11 0.23 0.00 0.00 176.35 175.77 1pww n ARG 678 N 3.66 1.41 -3.97 1.70 1.85 -1.26 -4.67 116.66 115.39 1pww n ARG 678 Ca -0.18 -0.02 -0.12 0.00 -1.00 0.00 0.00 57.85 56.53 1pww n ARG 678 Cb 0.58 -1.30 -0.13 0.00 -1.05 0.00 0.00 32.46 30.56 1pww n ARG 678 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1pww s ASN 679 N -2.75 0.25 0.62 2.89 0.01 -1.26 -4.97 114.94 109.73 1pww s ASN 679 Ca 0.05 -0.22 0.34 0.00 -0.71 0.00 0.00 52.86 52.32 1pww s ASN 679 Cb 0.12 0.02 1.98 0.00 0.41 0.00 0.00 41.25 43.79 1pww s ASN 679 CO 0.68 -0.10 2.26 0.44 -1.51 0.00 0.00 177.10 178.87 1pww h ASP 680 N 5.51 0.00 -0.07 -1.22 3.45 -1.96 -0.18 116.42 121.95 1pww h ASP 680 Ca -0.28 0.00 0.01 0.00 0.43 0.00 0.00 57.03 57.19 1pww h ASP 680 Cb 1.21 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.97 1pww h ASP 680 CO 0.47 0.00 0.01 0.28 -1.57 0.00 0.00 179.24 178.43 1pww h SER 681 N 0.00 -0.01 -0.61 6.45 0.02 -1.93 0.12 113.55 117.59 1pww h SER 681 Ca 0.01 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1pww h SER 681 Cb 0.09 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 1pww h SER 681 CO -0.00 0.01 0.37 -0.33 -1.14 0.00 0.00 176.83 175.73 1pww h GLU 682 N 0.04 0.84 0.13 3.45 5.08 -1.44 0.02 114.58 122.69 1pww h GLU 682 Ca 0.03 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1pww h GLU 682 Cb 0.03 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1pww h GLU 682 CO -0.05 0.59 -0.06 0.78 -1.00 0.00 0.00 179.01 179.28 1pww h GLY 683 N 0.89 -0.18 1.19 -3.84 0.00 -0.97 -0.80 103.07 99.36 1pww h GLY 683 Ca 0.22 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 1pww h GLY 683 CO -0.04 -0.07 0.32 -2.75 0.00 0.00 0.00 176.54 174.00 1pww h PHE 684 N -0.26 1.05 -0.24 5.60 3.57 -0.26 -2.53 116.94 123.87 1pww h PHE 684 Ca -0.02 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1pww h PHE 684 Cb 0.21 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1pww h PHE 684 CO -0.04 0.78 0.06 0.82 -2.23 0.00 0.00 178.31 177.70 1pww h ILE 685 N 1.03 1.21 -0.51 1.41 2.04 -0.85 -1.04 117.51 120.80 1pww h ILE 685 Ca 0.25 -0.68 0.10 0.00 1.00 0.00 0.00 64.86 65.53 1pww h ILE 685 Cb 0.14 1.20 -0.09 0.00 -0.74 0.00 0.00 36.82 37.34 1pww h ILE 685 CO -0.03 0.22 -0.03 -0.74 0.00 0.00 0.00 178.15 177.57 1pww h HIS 686 N 0.21 -0.10 -0.53 1.37 2.76 -0.97 0.96 115.15 118.86 1pww h HIS 686 Ca 0.08 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1pww h HIS 686 Cb 0.27 0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.33 1pww h HIS 686 CO 0.01 -0.15 0.20 0.00 -1.30 0.00 0.00 177.93 176.70 1pww h PHE 688 N 0.75 1.10 -0.79 0.00 3.57 0.39 -0.70 116.94 121.25 1pww h PHE 688 Ca 0.18 -0.03 0.18 0.00 3.53 0.00 0.00 57.97 61.84 1pww h PHE 688 Cb 0.16 -0.35 -0.12 0.00 2.79 0.00 0.00 35.95 38.43 1pww h PHE 688 CO 0.01 0.77 0.21 0.78 -2.23 0.00 0.00 178.31 177.84 1pww h GLY 689 N 1.11 1.15 2.00 2.40 0.00 0.86 1.00 103.07 111.59 1pww h GLY 689 Ca 0.28 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 1pww h GLY 689 CO -0.05 -0.25 -0.16 0.45 0.00 0.00 0.00 176.54 176.54 1pww h HIS 690 N 0.27 0.00 0.00 5.60 3.86 -0.75 -1.82 115.15 122.31 1pww h HIS 690 Ca 0.46 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.55 1pww h HIS 690 Cb 0.84 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.29 1pww h HIS 690 CO -0.26 0.16 -0.56 0.00 0.86 0.00 0.00 177.93 178.13 1pww h ALA 691 N 1.84 0.74 -0.46 2.45 0.00 0.16 -1.81 119.26 122.17 1pww h ALA 691 Ca -0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 1pww h ALA 691 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1pww h ALA 691 CO 0.02 0.70 -0.19 0.28 0.00 0.00 0.00 179.25 180.06 1pww h VAL 692 N 0.00 1.27 -0.31 0.00 2.07 -0.08 -0.71 116.25 118.49 1pww h VAL 692 Ca -0.01 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 1pww h VAL 692 Cb 1.28 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1pww h VAL 692 CO 0.07 0.46 0.18 -0.78 0.02 0.00 0.00 177.57 177.52 1pww h ASP 693 N 0.79 0.39 -0.12 0.57 -0.00 -1.26 0.46 116.42 117.25 1pww h ASP 693 Ca 0.11 -0.08 -0.09 0.00 -0.00 0.00 0.00 57.03 56.97 1pww h ASP 693 Cb 0.77 -0.10 -0.01 0.00 -0.00 0.00 0.00 39.33 39.98 1pww h ASP 693 CO 0.06 0.36 -0.20 -0.78 -0.00 0.00 0.00 179.24 178.68 1pww h ASP 694 N 0.39 0.53 0.22 2.28 1.82 -1.18 -2.81 116.42 117.67 1pww h ASP 694 Ca 0.11 -0.16 -0.30 0.00 -0.39 0.00 0.00 57.03 56.28 1pww h ASP 694 Cb 0.05 -0.14 0.04 0.00 0.68 0.00 0.00 39.33 39.95 1pww h ASP 694 CO -0.02 0.73 -1.32 0.22 -1.61 0.00 0.00 179.24 177.24 1pww h TYR 695 N 0.48 0.91 -0.51 0.28 3.20 -0.79 -2.79 116.97 117.74 1pww h TYR 695 Ca 0.08 -0.65 -0.03 0.00 3.14 0.00 0.00 58.73 61.27 1pww h TYR 695 Cb 0.61 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1pww h TYR 695 CO 0.02 1.51 0.21 0.00 -1.64 0.00 0.00 178.16 178.26 1pww h ALA 696 N 0.15 0.67 -0.70 1.82 0.00 -0.96 -1.93 119.26 118.30 1pww h ALA 696 Ca -0.23 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1pww h ALA 696 Cb 2.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.60 1pww h ALA 696 CO 0.25 0.27 0.21 0.78 0.00 0.00 0.00 179.25 180.76 1pww h GLY 697 N 0.69 1.17 0.93 0.00 0.00 -1.62 -1.76 103.07 102.48 1pww h GLY 697 Ca 0.17 -0.68 0.01 0.00 0.00 0.00 0.00 47.33 46.83 1pww h GLY 697 CO -0.01 0.64 0.23 -1.82 0.00 0.00 0.00 176.54 175.58 1pww h TYR 698 N 1.04 0.43 -0.05 5.60 5.03 -1.19 -2.48 116.97 125.35 1pww h TYR 698 Ca 0.23 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.57 1pww h TYR 698 Cb 0.30 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.43 1pww h TYR 698 CO 0.02 0.26 -0.04 -0.07 -1.32 0.00 0.00 178.16 177.01 1pww h LEU 699 N 0.47 -0.14 -0.70 2.82 3.38 -1.02 0.12 115.31 120.25 1pww h LEU 699 Ca 0.15 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.28 1pww h LEU 699 Cb -0.01 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 40.68 1pww h LEU 699 CO -0.06 -0.06 -0.27 -0.07 0.09 0.00 0.00 178.44 178.07 1pww h LEU 700 N -0.05 -0.95 -6.76 1.67 3.38 -0.89 -3.22 115.31 108.49 1pww h LEU 700 Ca 0.04 0.23 -0.60 0.00 0.09 0.00 0.00 57.88 57.64 1pww h LEU 700 Cb 0.11 0.53 -0.40 0.00 0.09 0.00 0.00 40.66 41.00 1pww h LEU 700 CO -0.09 -0.27 -0.80 -0.62 0.09 0.00 0.00 178.44 176.75 1pww s ASP 701 N -5.22 3.09 0.00 -0.43 -1.08 -1.01 -4.95 116.67 107.07 1pww s ASP 701 Ca -0.14 -2.85 0.00 0.00 -0.52 0.00 0.00 52.55 49.03 1pww s ASP 701 Cb 0.19 -0.84 0.00 0.00 -1.46 0.00 0.00 42.92 40.81 1pww s ASP 701 CO 0.72 -0.22 0.30 0.29 0.52 0.00 0.00 175.17 176.78 1pww n LYS 702 N 3.21 0.00 -0.06 4.34 5.02 0.01 -2.30 118.16 128.37 1pww n LYS 702 Ca 0.17 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.35 1pww n LYS 702 Cb 0.39 -1.33 -0.05 0.00 -0.02 0.00 0.00 35.03 34.02 1pww n LYS 702 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1pww n ASN 703 N -0.78 1.70 -4.14 4.39 2.85 -1.26 -4.90 115.26 113.11 1pww n ASN 703 Ca 0.00 0.07 -0.38 0.00 -0.11 0.00 0.00 54.58 54.16 1pww n ASN 703 Cb 0.00 -0.29 -0.10 0.00 1.24 0.00 0.00 39.78 40.63 1pww n ASN 703 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1pww s GLN 704 N -2.22 2.26 0.20 1.20 0.74 -0.97 -5.09 119.66 115.78 1pww s GLN 704 Ca -0.16 -1.97 -0.28 0.00 0.05 0.00 0.00 55.36 52.99 1pww s GLN 704 Cb 0.06 -3.71 -0.08 0.00 1.10 0.00 0.00 33.01 30.37 1pww s GLN 704 CO 0.23 -1.13 0.89 0.45 -0.55 0.00 0.00 175.29 175.18 1pww s SER 705 N 1.80 7.55 -0.28 6.67 0.15 -1.26 -4.65 113.70 123.68 1pww s SER 705 Ca 0.10 1.83 -0.28 0.00 0.70 0.00 0.00 55.95 58.30 1pww s SER 705 Cb -0.23 -2.57 0.18 0.00 -1.71 0.00 0.00 66.02 61.70 1pww s SER 705 CO -0.03 0.16 1.34 -0.62 1.20 0.00 0.00 173.24 175.29 1pww s ASP 706 N -1.06 -0.09 0.54 5.45 2.15 -1.26 -5.06 116.67 117.35 1pww s ASP 706 Ca 0.40 0.12 -0.19 0.00 0.43 0.00 0.00 52.55 53.31 1pww s ASP 706 Cb -0.25 0.11 -0.09 0.00 -0.30 0.00 0.00 42.92 42.39 1pww s ASP 706 CO 0.30 -0.06 0.55 0.18 -0.17 0.00 0.00 175.17 175.97 1pww n LEU 707 N 0.93 0.74 0.14 -1.34 4.77 -1.26 -4.38 117.00 116.61 1pww n LEU 707 Ca -0.05 0.78 0.01 0.00 -0.03 0.00 0.00 56.01 56.71 1pww n LEU 707 Cb 0.58 -1.17 0.13 0.00 -2.33 0.00 0.00 43.42 40.63 1pww n LEU 707 CO 0.06 -2.96 0.47 1.62 -1.33 0.00 0.00 177.39 175.26 1pww h VAL 708 N 0.38 1.20 0.00 4.08 3.04 -1.87 -2.67 116.25 120.41 1pww h VAL 708 Ca -0.45 -2.23 0.00 0.00 -1.01 0.00 0.00 66.70 63.02 1pww h VAL 708 Cb 1.40 2.28 0.00 0.00 -2.01 0.00 0.00 31.29 32.96 1pww h VAL 708 CO 0.48 0.58 0.00 0.35 -1.01 0.00 0.00 177.57 177.98 1pww n THR 709 N -3.49 0.77 -0.05 3.17 -2.24 -1.26 -2.03 114.28 109.15 1pww n THR 709 Ca 0.00 0.19 -0.05 0.00 -2.27 0.00 0.00 64.05 61.92 1pww n THR 709 Cb 0.68 -0.92 0.14 0.00 -2.10 0.00 0.00 70.33 68.12 1pww n THR 709 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pww n ASN 710 N -1.42 3.38 -4.87 3.42 2.85 -1.01 -4.32 115.26 113.30 1pww n ASN 710 Ca 0.05 -2.66 -0.30 0.00 -0.11 0.00 0.00 54.58 51.56 1pww n ASN 710 Cb 0.17 -0.64 -0.05 0.00 1.24 0.00 0.00 39.78 40.50 1pww n ASN 710 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1pww s SER 711 N -0.25 6.05 0.23 1.20 1.04 -0.86 -5.00 113.70 116.11 1pww s SER 711 Ca 0.28 0.15 -0.06 0.00 0.48 0.00 0.00 55.95 56.79 1pww s SER 711 Cb 0.23 -1.78 0.21 0.00 0.10 0.00 0.00 66.02 64.78 1pww s SER 711 CO 0.07 0.15 1.79 0.11 0.98 0.00 0.00 173.24 176.33 1pww h LYS 712 N 2.95 1.13 -0.16 4.02 1.79 -1.90 -1.96 116.57 122.46 1pww h LYS 712 Ca -0.46 -0.21 0.04 0.00 -2.18 0.00 0.00 60.65 57.84 1pww h LYS 712 Cb 1.17 -0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 31.60 1pww h LYS 712 CO 0.71 0.93 -0.08 -0.22 -1.08 0.00 0.00 179.45 179.71 1pww h LYS 713 N 1.10 -0.07 -0.46 3.15 3.64 -1.95 -2.76 116.57 119.23 1pww h LYS 713 Ca 0.25 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1pww h LYS 713 Cb 0.23 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1pww h LYS 713 CO -0.02 -0.04 0.20 0.35 -2.27 0.00 0.00 179.45 177.67 1pww h PHE 714 N -0.07 0.68 -1.13 1.91 3.57 -1.81 -2.89 116.94 117.20 1pww h PHE 714 Ca 0.09 -0.04 0.32 0.00 3.53 0.00 0.00 57.97 61.87 1pww h PHE 714 Cb 0.20 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.67 1pww h PHE 714 CO -0.22 0.57 0.79 0.82 -2.23 0.00 0.00 178.31 178.03 1pww h ILE 715 N 0.60 0.44 0.07 1.41 2.04 -1.06 0.86 117.51 121.86 1pww h ILE 715 Ca 0.16 -0.04 -0.27 0.00 1.00 0.00 0.00 64.86 65.71 1pww h ILE 715 Cb 0.16 0.31 0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1pww h ILE 715 CO -0.02 0.02 -1.12 0.44 0.00 0.00 0.00 178.15 177.47 1pww h ASP 716 N 0.12 0.70 -0.89 1.72 3.45 -1.41 -1.31 116.42 118.80 1pww h ASP 716 Ca 0.58 -0.62 0.05 0.00 0.43 0.00 0.00 57.03 57.46 1pww h ASP 716 Cb 2.03 -0.22 -0.06 0.00 -0.56 0.00 0.00 39.33 40.52 1pww h ASP 716 CO -0.11 1.44 0.56 0.40 -1.57 0.00 0.00 179.24 179.96 1pww h ILE 717 N 0.25 1.10 -0.49 0.35 1.08 0.64 0.20 117.51 120.63 1pww h ILE 717 Ca -0.14 -0.37 -0.10 0.00 -0.39 0.00 0.00 64.86 63.87 1pww h ILE 717 Cb 1.79 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 35.46 1pww h ILE 717 CO 0.20 0.19 -0.10 0.15 -0.69 0.00 0.00 178.15 177.90 1pww h PHE 718 N 1.06 0.99 -0.02 1.37 -0.00 -0.56 0.08 116.94 119.87 1pww h PHE 718 Ca 0.37 -0.19 -0.10 0.00 -0.00 0.00 0.00 57.97 58.05 1pww h PHE 718 Cb 0.08 -0.25 -0.01 0.00 -0.00 0.00 0.00 35.95 35.77 1pww h PHE 718 CO -0.02 0.95 -0.44 0.87 -0.00 0.00 0.00 178.31 179.67 1pww h LYS 719 N 0.81 0.04 0.08 1.11 1.79 0.01 0.34 116.57 120.76 1pww h LYS 719 Ca 0.13 -0.02 -0.30 0.00 -2.18 0.00 0.00 60.65 58.28 1pww h LYS 719 Cb 0.63 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.26 1pww h LYS 719 CO 0.04 0.48 -1.61 1.49 -1.08 0.00 0.00 179.45 178.77 1pww h GLU 720 N 0.04 0.18 -0.00 3.15 4.81 -0.76 -3.41 114.58 118.58 1pww h GLU 720 Ca -0.00 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1pww h GLU 720 Cb 0.79 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.29 1pww h GLU 720 CO 0.06 1.15 -0.33 0.39 -0.73 0.00 0.00 179.01 179.55 1pww n GLU 721 N -3.90 2.83 0.22 1.92 1.02 -0.01 -4.74 120.64 117.99 1pww n GLU 721 Ca -0.30 -0.34 0.00 0.00 -0.02 0.00 0.00 57.16 56.50 1pww n GLU 721 Cb 0.89 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 31.28 1pww n GLU 721 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pww n GLY 722 N 1.05 -0.33 0.17 0.62 0.00 0.12 0.15 105.19 106.97 1pww n GLY 722 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1pww n GLY 722 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pww n SER 723 N -2.00 1.80 -0.84 1.61 2.88 -1.26 -3.85 113.62 111.96 1pww n SER 723 Ca 0.00 -2.84 0.12 0.00 -1.33 0.00 0.00 58.87 54.82 1pww n SER 723 Cb 0.83 -0.38 0.29 0.00 -0.75 0.00 0.00 64.21 64.20 1pww n SER 723 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1pww n ASN 724 N -1.10 2.53 0.00 -3.46 4.13 0.12 -4.90 115.26 112.58 1pww n ASN 724 Ca 0.12 -1.84 0.00 0.00 1.68 0.00 0.00 54.58 54.54 1pww n ASN 724 Cb 0.65 -0.13 0.00 0.00 -1.54 0.00 0.00 39.78 38.76 1pww n ASN 724 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1pww n LEU 725 N 0.91 0.00 -4.82 3.41 4.77 -1.26 -4.81 117.00 115.20 1pww n LEU 725 Ca 0.17 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.82 1pww n LEU 725 Cb 0.48 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 1pww n LEU 725 CO 0.15 0.00 0.66 0.42 -1.33 0.00 0.00 177.39 177.29 1pww s THR 726 N 3.98 4.32 0.30 -5.08 -4.23 -1.26 -4.95 115.64 108.73 1pww s THR 726 Ca 0.00 1.43 0.02 0.00 -1.18 0.00 0.00 61.69 61.96 1pww s THR 726 Cb 0.00 -3.59 0.29 0.00 1.34 0.00 0.00 72.50 70.54 1pww s THR 726 CO 0.00 -0.33 1.88 0.77 -0.54 0.00 0.00 174.62 176.41 1pww h SER 727 N 1.82 0.88 0.08 3.99 4.64 -1.97 -1.10 113.55 121.89 1pww h SER 727 Ca -0.49 0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 60.72 1pww h SER 727 Cb 1.19 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1pww h SER 727 CO 0.61 0.52 -0.44 0.22 -0.87 0.00 0.00 176.83 176.87 1pww h TYR 728 N 0.97 0.53 0.00 4.77 3.20 -1.96 -2.28 116.97 122.21 1pww h TYR 728 Ca 0.43 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 1pww h TYR 728 Cb 0.36 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 1pww h TYR 728 CO -0.00 0.81 -0.06 0.78 -1.64 0.00 0.00 178.16 178.05 1pww h GLY 729 N 1.14 0.00 2.00 1.82 0.00 -1.47 -1.28 103.07 105.28 1pww h GLY 729 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1pww h GLY 729 CO 0.08 0.00 0.00 -0.09 0.00 0.00 0.00 176.54 176.53 1pww h ARG 730 N 0.00 0.00 -0.18 4.80 2.43 -1.02 -2.46 114.38 117.95 1pww h ARG 730 Ca -0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1pww h ARG 730 Cb 0.16 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.64 1pww h ARG 730 CO 0.01 0.00 -0.49 1.15 -1.51 0.00 0.00 179.97 179.13 1pww h THR 731 N 0.00 0.07 -1.71 0.20 2.02 -1.34 -3.48 112.91 108.67 1pww h THR 731 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1pww h THR 731 Cb 0.21 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1pww h THR 731 CO 0.00 0.00 0.00 -0.46 0.37 0.00 0.00 175.52 175.43 1pww n ASN 732 N -5.43 0.00 0.19 4.18 0.23 -1.25 -5.03 115.26 108.15 1pww n ASN 732 Ca -0.04 -0.96 -0.08 0.00 -0.53 0.00 0.00 54.58 52.97 1pww n ASN 732 Cb 0.37 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.03 1pww n ASN 732 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1pww h GLU 733 N 0.00 -0.47 -0.82 -3.83 3.07 -1.91 0.04 114.58 110.65 1pww h GLU 733 Ca 0.00 0.03 0.19 0.00 -0.50 0.00 0.00 59.36 59.08 1pww h GLU 733 Cb 0.00 0.11 -0.15 0.00 -0.84 0.00 0.00 28.75 27.87 1pww h GLU 733 CO 0.00 -0.32 -0.03 0.00 -1.40 0.00 0.00 179.01 177.27 1pww h ALA 734 N -1.77 0.83 -0.44 3.43 0.00 -1.95 0.13 119.26 119.48 1pww h ALA 734 Ca -0.05 0.28 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1pww h ALA 734 Cb 0.38 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1pww h ALA 734 CO 0.08 -0.45 0.09 0.93 0.00 0.00 0.00 179.25 179.91 1pww h GLU 735 N 0.07 0.72 -0.55 0.00 4.39 -1.84 -2.05 114.58 115.32 1pww h GLU 735 Ca 0.45 -0.18 0.02 0.00 0.34 0.00 0.00 59.36 59.99 1pww h GLU 735 Cb 0.81 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.34 1pww h GLU 735 CO -0.76 0.73 0.33 0.35 -1.16 0.00 0.00 179.01 178.51 1pww h PHE 736 N 0.59 0.62 0.52 4.33 3.57 0.90 -0.74 116.94 126.73 1pww h PHE 736 Ca 0.14 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1pww h PHE 736 Cb 0.35 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1pww h PHE 736 CO 0.02 0.36 -0.49 0.35 -2.23 0.00 0.00 178.31 176.32 1pww h PHE 737 N 0.66 -1.36 -0.94 0.41 3.57 -1.02 0.20 116.94 118.48 1pww h PHE 737 Ca 0.22 0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.91 1pww h PHE 737 Cb 0.02 0.52 -0.11 0.00 2.79 0.00 0.00 35.95 39.18 1pww h PHE 737 CO -0.06 -0.66 0.52 0.00 -2.23 0.00 0.00 178.31 175.88 1pww h ALA 738 N -0.96 1.51 -0.24 2.41 0.00 -1.15 0.29 119.26 121.12 1pww h ALA 738 Ca -0.07 0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1pww h ALA 738 Cb 0.86 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1pww h ALA 738 CO -0.05 -0.12 -0.57 0.93 0.00 0.00 0.00 179.25 179.44 1pww h GLU 739 N 0.65 0.75 -0.51 0.00 4.39 -0.74 0.60 114.58 119.72 1pww h GLU 739 Ca 0.54 -0.49 -0.12 0.00 0.34 0.00 0.00 59.36 59.64 1pww h GLU 739 Cb 0.86 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 1pww h GLU 739 CO -0.40 1.11 -0.13 0.00 -1.16 0.00 0.00 179.01 178.43 1pww h ALA 740 N 0.78 0.71 0.76 3.43 0.00 0.80 -1.97 119.26 123.77 1pww h ALA 740 Ca 0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1pww h ALA 740 Cb 1.16 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.77 1pww h ALA 740 CO 0.12 0.64 -0.37 0.35 0.00 0.00 0.00 179.25 179.99 1pww h PHE 741 N 0.86 -0.95 -0.73 0.00 3.57 -0.39 -0.81 116.94 118.49 1pww h PHE 741 Ca 0.13 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.73 1pww h PHE 741 Cb 0.70 0.31 -0.13 0.00 2.79 0.00 0.00 35.95 39.62 1pww h PHE 741 CO 0.05 -0.58 -0.35 -0.09 -2.23 0.00 0.00 178.31 175.11 1pww h ARG 742 N -1.09 -0.10 -0.28 1.11 1.12 -0.80 -0.16 114.38 114.17 1pww h ARG 742 Ca -0.10 0.01 -0.09 0.00 -1.11 0.00 0.00 59.98 58.68 1pww h ARG 742 Cb 0.80 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.77 1pww h ARG 742 CO 0.17 -0.07 -0.22 -0.07 -3.11 0.00 0.00 179.97 176.67 1pww h LEU 743 N -0.10 0.53 -0.41 3.80 3.38 -1.30 -1.52 115.31 119.69 1pww h LEU 743 Ca 0.28 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1pww h LEU 743 Cb 0.57 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1pww h LEU 743 CO -0.79 0.76 0.00 0.23 0.09 0.00 0.00 178.44 178.73 1pww n MET 744 N -4.13 0.07 -0.08 1.13 2.81 -0.13 -1.60 117.12 115.19 1pww n MET 744 Ca -0.00 0.41 0.04 0.00 -1.81 0.00 0.00 57.70 56.34 1pww n MET 744 Cb 0.40 -1.67 0.05 0.00 -0.71 0.00 0.00 33.22 31.29 1pww n MET 744 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1pww n HIS 745 N -1.81 0.00 -1.41 2.03 8.25 -0.82 -4.90 115.22 116.55 1pww n HIS 745 Ca 0.02 -0.59 -0.36 0.00 -0.26 0.00 0.00 57.72 56.52 1pww n HIS 745 Cb 0.13 -0.08 0.07 0.00 1.12 0.00 0.00 29.99 31.23 1pww n HIS 745 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1pww n SER 746 N -0.76 0.23 0.01 0.41 2.88 -0.63 -4.87 113.62 110.89 1pww n SER 746 Ca 0.06 0.69 -0.13 0.00 -1.33 0.00 0.00 58.87 58.16 1pww n SER 746 Cb 0.48 -1.36 -0.09 0.00 -0.75 0.00 0.00 64.21 62.48 1pww n SER 746 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1pww h THR 747 N -0.08 1.28 -2.67 2.46 2.02 -1.90 -3.42 112.91 110.60 1pww h THR 747 Ca -0.47 -0.93 -0.52 0.00 0.77 0.00 0.00 66.41 65.26 1pww h THR 747 Cb 1.35 1.90 0.04 0.00 -1.74 0.00 0.00 68.15 69.70 1pww h THR 747 CO 0.47 0.24 1.00 -0.62 0.37 0.00 0.00 175.52 176.98 1pww s ASP 748 N -5.57 6.48 0.44 4.18 3.68 -1.26 -4.90 116.67 119.72 1pww s ASP 748 Ca -0.15 2.72 0.23 0.00 2.13 0.00 0.00 52.55 57.48 1pww s ASP 748 Cb 0.02 -2.58 0.38 0.00 -1.45 0.00 0.00 42.92 39.29 1pww s ASP 748 CO 0.66 -0.93 1.62 0.45 0.13 0.00 0.00 175.17 177.10 1pww h HIS 749 N 7.51 0.00 -0.05 -5.34 3.86 -1.97 -3.27 115.15 115.89 1pww h HIS 749 Ca -0.44 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.77 1pww h HIS 749 Cb 1.21 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.67 1pww h HIS 749 CO 0.70 0.00 0.01 0.00 0.86 0.00 0.00 177.93 179.50 1pww h ALA 750 N 2.00 0.07 -0.97 2.45 0.00 -1.96 -2.65 119.26 118.20 1pww h ALA 750 Ca -0.00 -0.15 0.25 0.00 0.00 0.00 0.00 54.91 55.02 1pww h ALA 750 Cb 0.98 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.62 1pww h ALA 750 CO 0.00 -0.29 0.52 0.93 0.00 0.00 0.00 179.25 180.41 1pww h GLU 751 N -0.17 0.46 -0.18 0.00 4.39 -1.89 0.11 114.58 117.30 1pww h GLU 751 Ca 0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1pww h GLU 751 Cb 0.28 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1pww h GLU 751 CO 0.00 0.30 0.11 0.00 -1.16 0.00 0.00 179.01 178.27 1pww h ARG 752 N 0.47 0.24 -0.27 2.33 3.08 -1.52 -2.84 114.38 115.87 1pww h ARG 752 Ca 0.63 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.61 1pww h ARG 752 Cb 1.26 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 1pww h ARG 752 CO -0.52 0.19 -0.07 -0.07 -1.07 0.00 0.00 179.97 178.43 1pww h LEU 753 N 0.23 0.41 -1.35 3.04 3.38 -0.62 -2.41 115.31 117.99 1pww h LEU 753 Ca 0.07 -0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.04 1pww h LEU 753 Cb 0.00 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1pww h LEU 753 CO -0.01 0.53 0.52 0.50 0.09 0.00 0.00 178.44 180.06 1pww h LYS 754 N 0.41 0.71 0.36 1.13 3.64 -0.99 0.90 116.57 122.74 1pww h LYS 754 Ca 0.09 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1pww h LYS 754 Cb 0.38 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1pww h LYS 754 CO 0.02 0.47 -0.17 0.28 -2.27 0.00 0.00 179.45 177.78 1pww h VAL 755 N 0.74 0.61 -0.82 2.00 2.07 -1.38 -0.79 116.25 118.68 1pww h VAL 755 Ca 0.36 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 67.42 1pww h VAL 755 Cb 0.43 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 1pww h VAL 755 CO -0.14 0.10 0.49 -0.61 0.02 0.00 0.00 177.57 177.43 1pww h GLN 756 N -0.80 0.85 -0.44 1.57 4.15 -1.36 0.99 115.11 120.07 1pww h GLN 756 Ca -0.05 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.22 1pww h GLN 756 Cb 0.52 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1pww h GLN 756 CO 0.08 0.57 -0.12 0.87 -1.93 0.00 0.00 178.83 178.29 1pww h LYS 757 N 0.88 0.86 0.00 1.69 1.57 -0.83 -3.19 116.57 117.55 1pww h LYS 757 Ca 0.37 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1pww h LYS 757 Cb 0.23 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1pww h LYS 757 CO -0.20 0.98 -1.19 0.09 -0.57 0.00 0.00 179.45 178.56 1pww n ASN 758 N -4.26 0.79 -2.72 0.86 3.02 -0.30 -4.65 115.26 108.01 1pww n ASN 758 Ca -0.01 -0.77 -0.10 0.00 -0.03 0.00 0.00 54.58 53.67 1pww n ASN 758 Cb 0.39 1.21 0.02 0.00 -0.61 0.00 0.00 39.78 40.80 1pww n ASN 758 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pww n ALA 759 N -1.65 3.27 -0.35 5.41 0.00 0.34 -4.80 120.51 122.72 1pww n ALA 759 Ca 0.02 -3.16 -0.09 0.00 0.00 0.00 0.00 53.44 50.21 1pww n ALA 759 Cb 0.37 -0.94 -0.07 0.00 0.00 0.00 0.00 19.45 18.82 1pww n ALA 759 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1pww h PRO 760 N 3.00 -0.07 -0.24 0.00 0.11 -1.66 0.10 132.00 133.23 1pww h PRO 760 Ca -0.08 0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.10 1pww h PRO 760 Cb 1.16 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.21 1pww h PRO 760 CO 0.50 -0.05 -0.32 0.87 -0.21 0.00 0.00 178.00 178.79 1pww h LYS 761 N -0.08 -0.32 0.17 1.05 1.79 -1.94 -1.69 116.57 115.56 1pww h LYS 761 Ca 0.19 0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.69 1pww h LYS 761 Cb 0.49 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 31.17 1pww h LYS 761 CO -0.88 -0.21 -0.38 1.15 -1.08 0.00 0.00 179.45 178.05 1pww h THR 762 N -0.33 0.22 -0.74 -0.16 2.02 -1.66 -0.99 112.91 111.27 1pww h THR 762 Ca 0.13 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.43 1pww h THR 762 Cb 0.53 0.22 -0.13 0.00 -1.74 0.00 0.00 68.15 67.04 1pww h THR 762 CO -0.42 0.00 -0.36 0.15 0.37 0.00 0.00 175.52 175.25 1pww h PHE 763 N -0.64 -1.02 -0.72 3.16 3.57 -0.60 0.19 116.94 120.88 1pww h PHE 763 Ca 0.02 0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 1pww h PHE 763 Cb 0.65 0.56 -0.03 0.00 2.79 0.00 0.00 35.95 39.92 1pww h PHE 763 CO -0.31 -0.39 0.20 0.37 -2.23 0.00 0.00 178.31 175.95 1pww h GLN 764 N -0.11 1.13 -0.46 1.11 4.15 -1.09 -2.37 115.11 117.47 1pww h GLN 764 Ca 0.27 -0.26 0.04 0.00 0.77 0.00 0.00 58.65 59.47 1pww h GLN 764 Cb 0.57 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.06 1pww h GLN 764 CO -0.80 0.98 0.23 0.35 -1.93 0.00 0.00 178.83 177.67 1pww h PHE 765 N 1.07 0.42 -0.18 3.99 3.57 0.66 -0.08 116.94 126.40 1pww h PHE 765 Ca 0.23 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1pww h PHE 765 Cb 0.34 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1pww h PHE 765 CO 0.03 0.21 0.09 0.82 -2.23 0.00 0.00 178.31 177.23 1pww h ILE 766 N 0.46 1.12 -0.60 1.41 5.03 -0.82 -1.31 117.51 122.80 1pww h ILE 766 Ca 0.20 -0.34 -0.02 0.00 -0.12 0.00 0.00 64.86 64.58 1pww h ILE 766 Cb 0.11 1.02 -0.03 0.00 -3.03 0.00 0.00 36.82 34.88 1pww h ILE 766 CO -0.14 0.11 0.30 0.78 -0.68 0.00 0.00 178.15 178.52 1pww h ASN 767 N 0.17 0.76 -0.09 1.72 -0.26 -1.12 0.22 115.58 116.98 1pww h ASN 767 Ca 0.06 -0.07 -0.10 0.00 -0.56 0.00 0.00 56.30 55.64 1pww h ASN 767 Cb 0.10 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 1pww h ASN 767 CO -0.01 0.64 -0.24 0.44 -1.06 0.00 0.00 177.43 177.19 1pww h ASP 768 N 0.84 0.53 -0.45 5.81 3.32 -0.77 0.51 116.42 126.22 1pww h ASP 768 Ca 0.21 -0.18 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 1pww h ASP 768 Cb 0.07 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1pww h ASP 768 CO -0.03 0.77 -0.23 1.56 -1.72 0.00 0.00 179.24 179.59 1pww h GLN 769 N 0.46 0.97 0.57 3.56 1.08 -0.02 -0.51 115.11 121.22 1pww h GLN 769 Ca 0.07 -0.42 -0.03 0.00 -1.45 0.00 0.00 58.65 56.82 1pww h GLN 769 Cb 0.67 -0.03 0.01 0.00 -0.05 0.00 0.00 27.48 28.08 1pww h GLN 769 CO 0.05 1.09 -0.27 0.82 -0.95 0.00 0.00 178.83 179.57 1pww h ILE 770 N 0.83 0.42 -0.99 2.54 2.04 -0.14 -2.49 117.51 119.72 1pww h ILE 770 Ca 0.10 -0.13 0.20 0.00 1.00 0.00 0.00 64.86 66.03 1pww h ILE 770 Cb 0.81 0.47 -0.10 0.00 -0.74 0.00 0.00 36.82 37.26 1pww h ILE 770 CO 0.07 0.02 0.62 0.11 0.00 0.00 0.00 178.15 178.96 1pww h LYS 771 N -0.85 0.66 -0.63 2.37 1.57 -0.82 0.24 116.57 119.11 1pww h LYS 771 Ca -0.08 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1pww h LYS 771 Cb 0.62 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1pww h LYS 771 CO 0.13 0.44 0.42 0.35 -0.57 0.00 0.00 179.45 180.21 1pww h PHE 772 N 0.68 0.53 0.00 -1.35 3.57 -0.65 -1.35 116.94 118.37 1pww h PHE 772 Ca 0.57 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.99 1pww h PHE 772 Cb 0.99 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 1pww h PHE 772 CO -0.00 0.26 -0.48 0.82 -2.23 0.00 0.00 178.31 176.67 1pww h ILE 773 N 0.51 1.41 0.00 1.41 2.04 -0.24 -3.32 117.51 119.32 1pww h ILE 773 Ca 0.28 -2.24 0.00 0.00 1.00 0.00 0.00 64.86 63.90 1pww h ILE 773 Cb 0.45 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 39.38 1pww h ILE 773 CO -0.09 0.48 0.00 -0.38 0.00 0.00 0.00 178.15 178.16 1pww n ILE 774 N -4.55 0.00 -2.62 -0.67 5.41 -0.52 -3.06 119.36 113.35 1pww n ILE 774 Ca -0.18 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.52 1pww n ILE 774 Cb 0.54 -0.67 0.05 0.00 -0.71 0.00 0.00 39.64 38.85 1pww n ILE 774 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1pww n ASN 775 N -0.86 2.22 0.00 4.38 3.02 -0.52 -5.04 115.26 118.46 1pww n ASN 775 Ca 0.07 -2.41 0.00 0.00 -0.03 0.00 0.00 54.58 52.20 1pww n ASN 775 Cb 0.03 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 1pww n ASN 775 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10