#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgw s LEU 28 N 0.00 4.07 0.15 1.69 1.43 -1.26 -4.96 118.68 119.80 3kgw s LEU 28 Ca 0.00 2.20 -0.18 0.00 -1.03 0.00 0.00 54.13 55.12 3kgw s LEU 28 Cb 0.00 -4.21 0.06 0.00 0.03 0.00 0.00 46.19 42.07 3kgw s LEU 28 CO 0.00 -0.74 1.69 0.25 0.23 0.00 0.00 176.35 177.78 3kgw h LEU 29 N 2.24 -0.24 -8.52 1.79 5.85 -2.14 -3.41 115.31 110.88 3kgw h LEU 29 Ca -0.49 0.09 -0.65 0.00 0.84 0.00 0.00 57.88 57.67 3kgw h LEU 29 Cb 1.23 0.18 -0.27 0.00 0.37 0.00 0.00 40.66 42.18 3kgw h LEU 29 CO 0.61 -0.08 -0.73 -0.69 -0.34 0.00 0.00 178.44 177.21 3kgw s VAL 30 N -6.20 3.36 0.60 1.05 1.01 -1.26 -5.12 120.40 113.83 3kgw s VAL 30 Ca -0.14 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 3kgw s VAL 30 Cb 0.13 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 3kgw s VAL 30 CO 0.70 0.46 0.95 -2.16 0.00 0.00 0.00 175.10 175.06 3kgw s PRO 31 N 1.02 3.21 0.09 2.72 0.04 -1.26 -5.01 135.00 135.82 3kgw s PRO 31 Ca 0.00 0.34 -0.33 0.00 0.04 0.00 0.00 61.00 61.06 3kgw s PRO 31 Cb -0.15 -2.19 -0.12 0.00 0.04 0.00 0.00 34.50 32.09 3kgw s PRO 31 CO -0.00 -0.64 1.77 -2.30 0.04 0.00 0.00 177.00 175.87 3kgw n PRO 32 N -2.65 2.47 -1.89 0.56 -0.02 -1.26 -4.90 135.00 127.31 3kgw n PRO 32 Ca 0.05 0.90 -0.42 0.00 -2.02 0.00 0.00 63.50 62.00 3kgw n PRO 32 Cb 0.56 -2.74 -0.03 0.00 -0.02 0.00 0.00 33.50 31.27 3kgw n PRO 32 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3kgw s PRO 33 N 2.44 4.18 0.34 0.52 0.02 -1.26 -4.90 135.00 136.34 3kgw s PRO 33 Ca 0.83 2.37 0.03 0.00 0.02 0.00 0.00 61.00 64.26 3kgw s PRO 33 Cb -0.59 -3.73 0.65 0.00 0.02 0.00 0.00 34.50 30.85 3kgw s PRO 33 CO 0.40 -0.79 1.96 1.05 -0.33 0.00 0.00 177.00 179.29 3kgw h GLU 34 N 8.84 0.83 -0.75 5.54 9.09 -2.03 -2.53 114.58 133.58 3kgw h GLU 34 Ca -0.43 -0.05 0.21 0.00 0.05 0.00 0.00 59.36 59.14 3kgw h GLU 34 Cb 1.20 -0.19 -0.03 0.00 -1.65 0.00 0.00 28.75 28.08 3kgw h GLU 34 CO 0.94 0.55 0.54 0.00 0.05 0.00 0.00 179.01 181.08 3kgw h ALA 35 N 1.58 2.61 -0.00 1.06 0.00 -2.00 -1.22 119.26 121.29 3kgw h ALA 35 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3kgw h ALA 35 Cb 0.15 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kgw h ALA 35 CO -0.10 -0.83 -0.07 1.28 0.00 0.00 0.00 179.25 179.54 3kgw n LEU 36 N -4.35 0.12 0.00 0.00 4.77 -0.95 -4.17 117.00 112.41 3kgw n LEU 36 Ca 0.15 0.32 0.11 0.00 -0.03 0.00 0.00 56.01 56.56 3kgw n LEU 36 Cb 0.78 -0.37 0.49 0.00 -2.33 0.00 0.00 43.42 41.99 3kgw n LEU 36 CO 0.37 0.02 0.85 -1.54 -1.33 0.00 0.00 177.39 175.77 3kgw n SER 37 N -1.36 0.00 -4.83 -1.43 3.41 -0.46 -4.79 113.62 104.16 3kgw n SER 37 Ca 0.10 0.42 -0.28 0.00 -0.26 0.00 0.00 58.87 58.85 3kgw n SER 37 Cb 0.30 -0.47 -0.05 0.00 -0.26 0.00 0.00 64.21 63.73 3kgw n SER 37 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3kgw s LYS 38 N -2.94 3.05 0.75 4.33 -0.14 -1.26 -5.09 119.74 118.44 3kgw s LYS 38 Ca 0.12 -0.72 -0.14 0.00 -1.36 0.00 0.00 55.97 53.87 3kgw s LYS 38 Cb 0.15 -2.77 0.05 0.00 -1.68 0.00 0.00 37.83 33.58 3kgw s LYS 38 CO 0.39 0.53 1.17 -2.14 -0.76 0.00 0.00 175.35 174.54 3kgw s PRO 39 N -2.86 2.11 -0.11 -1.68 0.02 -1.26 -4.98 135.00 126.23 3kgw s PRO 39 Ca 0.32 1.61 -0.24 0.00 0.02 0.00 0.00 61.00 62.70 3kgw s PRO 39 Cb -0.11 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.54 3kgw s PRO 39 CO 0.24 -1.83 0.74 -1.17 -0.33 0.00 0.00 177.00 174.65 3kgw s LEU 40 N -5.38 4.25 0.01 -5.54 2.96 -1.26 -5.06 118.68 108.67 3kgw s LEU 40 Ca 0.71 1.15 -0.00 0.00 -0.22 0.00 0.00 54.13 55.76 3kgw s LEU 40 Cb -0.25 -3.11 -0.01 0.00 0.50 0.00 0.00 46.19 43.31 3kgw s LEU 40 CO 0.47 -0.23 -0.02 -0.94 -1.32 0.00 0.00 176.35 174.32 3kgw s SER 41 N 0.97 0.16 -0.02 3.68 1.04 -1.26 -5.16 113.70 113.11 3kgw s SER 41 Ca 0.37 -0.33 0.05 0.00 0.48 0.00 0.00 55.95 56.52 3kgw s SER 41 Cb -0.17 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.01 3kgw s SER 41 CO 0.16 -0.21 -0.18 -0.69 0.98 0.00 0.00 173.24 173.30 3kgw s VAL 42 N -0.99 1.40 0.68 5.02 1.01 -1.26 -5.14 120.40 121.12 3kgw s VAL 42 Ca -0.11 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 60.98 3kgw s VAL 42 Cb -0.07 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.15 3kgw s VAL 42 CO -0.01 0.40 1.09 -2.16 0.00 0.00 0.00 175.10 174.42 3kgw s PRO 43 N -0.37 2.76 -0.33 2.72 0.04 -1.26 -5.00 135.00 133.55 3kgw s PRO 43 Ca 0.06 1.26 -0.19 0.00 0.04 0.00 0.00 61.00 62.17 3kgw s PRO 43 Cb -0.07 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 3kgw s PRO 43 CO -0.00 -1.26 0.54 0.99 0.04 0.00 0.00 177.00 177.31 3kgw s THR 44 N -2.57 5.00 0.06 1.26 2.01 -1.26 -5.05 115.64 115.09 3kgw s THR 44 Ca 0.64 0.52 -0.00 0.00 0.31 0.00 0.00 61.69 63.16 3kgw s THR 44 Cb -0.18 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 3kgw s THR 44 CO 0.46 -0.17 -0.04 -0.13 -0.69 0.00 0.00 174.62 174.05 3kgw s ARG 45 N 2.45 0.63 -0.32 4.92 0.52 -1.26 -4.98 118.95 120.91 3kgw s ARG 45 Ca 0.21 -1.18 -0.15 0.00 -0.52 0.00 0.00 55.73 54.08 3kgw s ARG 45 Cb -0.15 0.10 -0.02 0.00 0.52 0.00 0.00 34.95 35.40 3kgw s ARG 45 CO 0.13 -0.08 0.38 -1.17 0.02 0.00 0.00 175.30 174.57 3kgw s LEU 46 N -2.79 4.31 -0.65 2.53 2.96 -0.73 -4.98 118.68 119.33 3kgw s LEU 46 Ca 0.06 -0.07 -0.16 0.00 -0.22 0.00 0.00 54.13 53.73 3kgw s LEU 46 Cb 0.05 -2.38 0.15 0.00 0.50 0.00 0.00 46.19 44.51 3kgw s LEU 46 CO -0.08 -0.31 0.66 -0.76 -1.32 0.00 0.00 176.35 174.54 3kgw s LEU 47 N 2.07 6.06 -0.34 -0.68 1.43 -1.26 -0.71 118.68 125.25 3kgw s LEU 47 Ca 0.13 -1.94 0.07 0.00 -1.03 0.00 0.00 54.13 51.36 3kgw s LEU 47 Cb -0.16 -2.24 0.48 0.00 0.03 0.00 0.00 46.19 44.29 3kgw s LEU 47 CO 0.11 -0.87 1.44 0.18 0.23 0.00 0.00 176.35 177.44 3kgw n LEU 48 N 5.29 4.77 0.00 1.79 4.77 0.36 -4.35 117.00 129.62 3kgw n LEU 48 Ca -0.04 -4.18 0.00 0.00 -0.03 0.00 0.00 56.01 51.76 3kgw n LEU 48 Cb 0.43 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3kgw n LEU 48 CO 0.50 1.58 0.00 0.61 -1.33 0.00 0.00 177.39 178.75 3kgw n GLY 49 N -0.97 1.20 0.00 -0.72 0.00 -0.91 -0.37 105.19 103.43 3kgw n GLY 49 Ca 0.40 -2.00 0.10 0.00 0.00 0.00 0.00 46.02 44.51 3kgw n GLY 49 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kgw n PRO 50 N -0.79 0.52 0.00 1.61 -0.04 -1.26 -3.05 135.00 131.98 3kgw n PRO 50 Ca 0.00 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 3kgw n PRO 50 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 3kgw n PRO 50 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kgw n GLY 51 N 0.24 4.64 3.79 0.55 0.00 -1.26 -4.93 105.19 108.22 3kgw n GLY 51 Ca 0.13 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 3kgw n GLY 51 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kgw s PRO 52 N -3.82 3.09 0.50 1.61 0.04 -1.26 -5.11 135.00 130.04 3kgw s PRO 52 Ca 0.00 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.29 3kgw s PRO 52 Cb 0.00 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.55 3kgw s PRO 52 CO 0.00 -1.00 0.72 -1.54 0.04 0.00 0.00 177.00 175.22 3kgw s SER 53 N -2.82 5.58 0.57 6.66 1.04 -0.47 -4.80 113.70 119.45 3kgw s SER 53 Ca 0.64 0.16 -0.20 0.00 0.48 0.00 0.00 55.95 57.03 3kgw s SER 53 Cb -0.17 -1.24 -0.04 0.00 0.10 0.00 0.00 66.02 64.66 3kgw s SER 53 CO 0.40 -0.90 1.22 0.20 0.98 0.00 0.00 173.24 175.14 3kgw s ASN 54 N -4.31 5.35 0.13 7.02 -0.87 -1.26 -4.86 114.94 116.14 3kgw s ASN 54 Ca 0.52 2.43 -0.29 0.00 -1.57 0.00 0.00 52.86 53.96 3kgw s ASN 54 Cb -0.10 -2.60 -0.07 0.00 -0.02 0.00 0.00 41.25 38.46 3kgw s ASN 54 CO 0.38 -1.48 0.90 -0.76 -2.57 0.00 0.00 177.10 173.57 3kgw s LEU 55 N -3.83 4.53 0.60 0.60 1.43 -1.26 -4.65 118.68 116.10 3kgw s LEU 55 Ca 0.74 1.75 -0.18 0.00 -1.03 0.00 0.00 54.13 55.41 3kgw s LEU 55 Cb -0.32 -3.50 -0.03 0.00 0.03 0.00 0.00 46.19 42.38 3kgw s LEU 55 CO 0.35 0.02 1.15 0.00 0.23 0.00 0.00 176.35 178.10 3kgw s ALA 56 N -0.35 2.56 0.26 4.21 0.00 -1.21 -4.75 121.76 122.48 3kgw s ALA 56 Ca 0.43 0.80 -0.02 0.00 0.00 0.00 0.00 51.96 53.18 3kgw s ALA 56 Cb -0.23 -3.38 0.51 0.00 0.00 0.00 0.00 23.12 20.02 3kgw s ALA 56 CO 0.29 -1.07 1.77 -1.35 0.00 0.00 0.00 175.76 175.39 3kgw h PRO 57 N 0.72 0.61 -0.21 0.00 0.11 -1.96 0.08 132.00 131.35 3kgw h PRO 57 Ca -0.49 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 3kgw h PRO 57 Cb 1.27 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3kgw h PRO 57 CO 0.55 0.41 -0.07 -0.09 -0.21 0.00 0.00 178.00 178.59 3kgw h ARG 58 N 0.63 0.32 -0.13 1.05 2.43 -1.95 0.77 114.38 117.50 3kgw h ARG 58 Ca 0.45 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.50 3kgw h ARG 58 Cb 0.61 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3kgw h ARG 58 CO -0.35 0.41 -0.14 0.28 -1.51 0.00 0.00 179.97 178.66 3kgw h VAL 59 N 0.31 1.35 -0.84 0.20 2.07 -1.61 -2.62 116.25 115.12 3kgw h VAL 59 Ca 0.07 -1.30 0.08 0.00 0.82 0.00 0.00 66.70 66.37 3kgw h VAL 59 Cb 0.32 1.90 -0.07 0.00 -1.52 0.00 0.00 31.29 31.93 3kgw h VAL 59 CO 0.02 0.38 0.50 -0.07 0.02 0.00 0.00 177.57 178.41 3kgw h LEU 60 N -0.05 0.75 -1.45 2.57 3.38 -0.38 -2.22 115.31 117.90 3kgw h LEU 60 Ca 0.02 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3kgw h LEU 60 Cb 0.67 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3kgw h LEU 60 CO 0.03 0.45 -0.04 0.00 0.09 0.00 0.00 178.44 178.97 3kgw h ALA 61 N 1.43 1.56 0.00 1.53 0.00 -0.78 -1.61 119.26 121.39 3kgw h ALA 61 Ca 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3kgw h ALA 61 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kgw h ALA 61 CO -0.21 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3kgw n ALA 62 N -2.49 2.13 0.28 0.00 0.00 -0.86 -4.09 120.51 115.48 3kgw n ALA 62 Ca -0.00 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.52 3kgw n ALA 62 Cb 0.22 -1.43 0.76 0.00 0.00 0.00 0.00 19.45 19.00 3kgw n ALA 62 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kgw h GLY 63 N 4.10 0.00 -1.61 0.00 0.00 -1.00 -2.88 103.07 101.68 3kgw h GLY 63 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 3kgw h GLY 63 CO 0.00 0.00 -0.07 -1.14 0.00 0.00 0.00 176.54 175.33 3kgw n SER 64 N -4.20 2.87 -4.78 0.19 3.41 -1.26 -5.01 113.62 104.83 3kgw n SER 64 Ca -0.03 -3.46 -0.36 0.00 -0.26 0.00 0.00 58.87 54.76 3kgw n SER 64 Cb 0.10 -0.58 -0.04 0.00 -0.26 0.00 0.00 64.21 63.43 3kgw n SER 64 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3kgw s LEU 65 N -3.07 4.07 0.80 1.04 1.43 -1.09 -5.02 118.68 116.83 3kgw s LEU 65 Ca 0.42 2.03 -0.11 0.00 -1.03 0.00 0.00 54.13 55.45 3kgw s LEU 65 Cb 0.37 -4.27 0.07 0.00 0.03 0.00 0.00 46.19 42.39 3kgw s LEU 65 CO 0.03 -0.59 1.09 -0.13 0.23 0.00 0.00 176.35 176.98 3kgw s ARG 66 N -2.67 2.02 0.47 1.70 0.52 -1.26 -5.02 118.95 114.70 3kgw s ARG 66 Ca 0.60 0.98 -0.20 0.00 -0.52 0.00 0.00 55.73 56.60 3kgw s ARG 66 Cb -0.21 -1.88 -0.09 0.00 0.52 0.00 0.00 34.95 33.28 3kgw s ARG 66 CO 0.26 -1.75 0.98 -1.64 0.02 0.00 0.00 175.30 173.17 3kgw s MET 67 N -4.96 4.03 0.12 3.54 -1.94 -1.26 -5.02 119.30 113.81 3kgw s MET 67 Ca 0.61 1.15 -0.01 0.00 -1.71 0.00 0.00 55.69 55.73 3kgw s MET 67 Cb -0.17 -2.15 -0.04 0.00 2.01 0.00 0.00 34.83 34.49 3kgw s MET 67 CO 0.56 -0.20 0.03 0.96 -0.01 0.00 0.00 175.02 176.35 3kgw s ILE 68 N -2.23 0.21 0.33 2.53 -4.36 -1.26 -5.14 121.20 111.28 3kgw s ILE 68 Ca 0.63 -1.90 -0.29 0.00 -0.26 0.00 0.00 60.65 58.83 3kgw s ILE 68 Cb -0.11 -1.92 -0.10 0.00 1.25 0.00 0.00 42.46 41.57 3kgw s ILE 68 CO 0.19 -0.60 1.40 -0.83 0.24 0.00 0.00 174.94 175.34 3kgw s GLY 69 N -3.03 2.80 0.60 6.27 0.00 -1.26 -4.90 107.32 107.80 3kgw s GLY 69 Ca 0.20 1.38 0.39 0.00 0.00 0.00 0.00 44.72 46.68 3kgw s GLY 69 CO -0.01 2.12 2.16 1.12 0.00 0.00 0.00 173.10 178.49 3kgw h HIS 70 N 3.68 0.00 -0.21 1.90 2.07 -2.00 -2.48 115.15 118.10 3kgw h HIS 70 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 3kgw h HIS 70 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 3kgw h HIS 70 CO 0.56 0.00 0.00 -1.33 -3.07 0.00 0.00 177.93 174.09 3kgw n MET 71 N -3.08 1.85 -1.44 5.12 2.81 -1.26 -4.64 117.12 116.47 3kgw n MET 71 Ca -0.01 -1.77 -0.32 0.00 -1.81 0.00 0.00 57.70 53.79 3kgw n MET 71 Cb 0.20 -1.32 0.07 0.00 -0.71 0.00 0.00 33.22 31.46 3kgw n MET 71 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3kgw s GLN 72 N -1.15 2.47 0.37 0.03 -1.52 -0.94 -4.77 119.66 114.14 3kgw s GLN 72 Ca 0.24 1.24 0.06 0.00 -1.95 0.00 0.00 55.36 54.95 3kgw s GLN 72 Cb 0.14 -1.92 0.75 0.00 -0.22 0.00 0.00 33.01 31.77 3kgw s GLN 72 CO 0.20 -1.49 1.97 1.57 -0.25 0.00 0.00 175.29 177.29 3kgw h LYS 73 N -0.71 0.71 -0.25 2.91 2.10 -1.95 -0.70 116.57 118.69 3kgw h LYS 73 Ca -0.45 -0.04 -0.12 0.00 -2.00 0.00 0.00 60.65 58.04 3kgw h LYS 73 Cb 1.24 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 32.39 3kgw h LYS 73 CO 0.52 0.47 -0.36 0.93 -2.00 0.00 0.00 179.45 179.02 3kgw h GLU 74 N 0.74 0.55 -0.30 0.07 3.07 -1.93 -0.89 114.58 115.88 3kgw h GLU 74 Ca 0.30 -0.26 -0.17 0.00 -0.50 0.00 0.00 59.36 58.73 3kgw h GLU 74 Cb 0.23 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.14 3kgw h GLU 74 CO -0.10 0.83 -0.49 1.98 -1.40 0.00 0.00 179.01 179.83 3kgw h MET 75 N 0.46 0.86 -0.69 2.33 4.05 -1.45 -1.90 114.93 118.59 3kgw h MET 75 Ca 0.05 -0.53 -0.01 0.00 -0.28 0.00 0.00 59.70 58.94 3kgw h MET 75 Cb 0.84 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.66 3kgw h MET 75 CO 0.07 1.16 0.40 -0.07 0.23 0.00 0.00 176.91 178.70 3kgw h LEU 76 N 0.64 0.83 -0.40 3.39 3.38 -0.94 -0.38 115.31 121.83 3kgw h LEU 76 Ca 0.02 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3kgw h LEU 76 Cb 1.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3kgw h LEU 76 CO 0.11 0.66 0.09 -0.61 0.09 0.00 0.00 178.44 178.77 3kgw h GLN 77 N 0.95 0.65 -0.74 1.13 4.15 -1.07 -1.28 115.11 118.90 3kgw h GLN 77 Ca 0.25 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 3kgw h GLN 77 Cb -0.01 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.56 3kgw h GLN 77 CO -0.04 0.68 0.46 0.82 -1.93 0.00 0.00 178.83 178.81 3kgw h ILE 78 N 0.50 1.21 -0.80 2.39 2.04 -0.81 -0.90 117.51 121.15 3kgw h ILE 78 Ca 0.12 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.56 3kgw h ILE 78 Cb 0.33 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 3kgw h ILE 78 CO 0.00 0.21 0.53 0.24 0.00 0.00 0.00 178.15 179.13 3kgw h MET 79 N 1.01 1.05 -0.52 2.37 2.86 -0.87 0.18 114.93 121.02 3kgw h MET 79 Ca 0.27 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.79 3kgw h MET 79 Cb -0.06 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.35 3kgw h MET 79 CO -0.05 0.70 0.10 1.49 1.06 0.00 0.00 176.91 180.21 3kgw h GLU 80 N 1.08 0.84 -0.46 1.72 4.57 -0.72 -0.26 114.58 121.35 3kgw h GLU 80 Ca 0.29 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 3kgw h GLU 80 Cb -0.12 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.34 3kgw h GLU 80 CO -0.06 0.82 0.22 0.93 -1.18 0.00 0.00 179.01 179.74 3kgw h GLU 81 N 0.73 0.67 -0.27 1.92 5.08 -0.86 -1.63 114.58 120.22 3kgw h GLU 81 Ca 0.16 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3kgw h GLU 81 Cb 0.37 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 3kgw h GLU 81 CO 0.01 0.57 0.08 0.82 -1.00 0.00 0.00 179.01 179.48 3kgw h ILE 82 N 0.61 0.91 -0.43 3.13 2.04 -0.77 -0.32 117.51 122.67 3kgw h ILE 82 Ca 0.16 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 66.02 3kgw h ILE 82 Cb 0.12 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 3kgw h ILE 82 CO -0.02 0.03 0.13 0.11 0.00 0.00 0.00 178.15 178.40 3kgw h LYS 83 N 0.19 0.27 -0.73 2.37 1.57 -0.73 0.72 116.57 120.23 3kgw h LYS 83 Ca 0.12 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 3kgw h LYS 83 Cb 0.10 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 3kgw h LYS 83 CO -0.14 0.18 0.46 1.96 -0.57 0.00 0.00 179.45 181.34 3kgw h GLN 84 N 0.28 0.88 -0.73 3.15 4.20 -1.02 -0.23 115.11 121.64 3kgw h GLN 84 Ca 0.21 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.88 3kgw h GLN 84 Cb 0.22 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 3kgw h GLN 84 CO -0.23 0.58 0.48 0.78 -0.67 0.00 0.00 178.83 179.77 3kgw h GLY 85 N 0.90 1.04 0.88 3.46 0.00 -0.42 -1.28 103.07 107.66 3kgw h GLY 85 Ca 0.29 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 3kgw h GLY 85 CO -0.11 0.35 0.04 -2.22 0.00 0.00 0.00 176.54 174.61 3kgw h ILE 86 N 0.96 1.23 -0.94 2.60 2.04 -0.46 -1.20 117.51 121.75 3kgw h ILE 86 Ca 0.28 -0.80 0.10 0.00 1.00 0.00 0.00 64.86 65.45 3kgw h ILE 86 Cb -0.07 1.21 -0.08 0.00 -0.74 0.00 0.00 36.82 37.14 3kgw h ILE 86 CO -0.08 0.26 0.58 1.56 0.00 0.00 0.00 178.15 180.47 3kgw h GLN 87 N 0.29 0.92 -0.02 2.37 4.20 -0.90 0.67 115.11 122.63 3kgw h GLN 87 Ca 0.09 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3kgw h GLN 87 Cb 0.34 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 3kgw h GLN 87 CO 0.01 0.61 -0.01 -0.92 -0.67 0.00 0.00 178.83 177.84 3kgw h TYR 88 N 0.94 0.05 -0.33 2.96 3.20 -0.98 -0.13 116.97 122.68 3kgw h TYR 88 Ca 0.46 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 62.18 3kgw h TYR 88 Cb 0.41 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 3kgw h TYR 88 CO -0.02 0.43 -0.33 0.28 -1.64 0.00 0.00 178.16 176.88 3kgw h VAL 89 N -0.34 1.28 0.00 1.81 2.07 -0.86 -2.33 116.25 117.87 3kgw h VAL 89 Ca 0.01 -1.47 -0.04 0.00 0.82 0.00 0.00 66.70 66.01 3kgw h VAL 89 Cb 0.42 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3kgw h VAL 89 CO 0.00 0.48 -0.19 -0.26 0.02 0.00 0.00 177.57 177.62 3kgw h PHE 90 N 0.62 0.00 -5.33 1.57 -1.00 -0.95 -3.45 116.94 108.40 3kgw h PHE 90 Ca 0.07 0.00 -0.25 0.00 2.81 0.00 0.00 57.97 60.59 3kgw h PHE 90 Cb 0.85 0.00 0.18 0.00 3.61 0.00 0.00 35.95 40.59 3kgw h PHE 90 CO 0.04 0.19 -0.79 1.04 -1.61 0.00 0.00 178.31 177.19 3kgw n GLN 91 N -3.26 -3.13 -4.10 1.51 1.13 -0.21 -1.35 117.38 107.96 3kgw n GLN 91 Ca 0.01 0.81 -0.14 0.00 -1.94 0.00 0.00 57.00 55.74 3kgw n GLN 91 Cb 0.47 -5.59 -0.11 0.00 0.11 0.00 0.00 30.24 25.11 3kgw n GLN 91 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 3kgw s THR 92 N -3.36 0.72 -2.25 5.09 -1.32 -0.34 -2.51 115.64 111.68 3kgw s THR 92 Ca 0.32 -1.22 0.22 0.00 -1.21 0.00 0.00 61.69 59.81 3kgw s THR 92 Cb -0.04 -0.83 0.46 0.00 -1.51 0.00 0.00 72.50 70.58 3kgw s THR 92 CO 0.69 -0.38 1.41 0.54 -2.21 0.00 0.00 174.62 174.67 3kgw n ARG 93 N 1.28 2.53 -1.68 7.08 1.74 -1.26 -4.56 116.66 121.79 3kgw n ARG 93 Ca -0.21 -2.35 -0.45 0.00 -0.77 0.00 0.00 57.85 54.07 3kgw n ARG 93 Cb 0.55 -1.51 -0.04 0.00 -1.02 0.00 0.00 32.46 30.44 3kgw n ARG 93 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3kgw n ASN 94 N 1.47 3.79 0.18 0.55 3.02 -1.26 -4.87 115.26 118.13 3kgw n ASN 94 Ca 0.20 0.96 0.06 0.00 -0.03 0.00 0.00 54.58 55.77 3kgw n ASN 94 Cb 0.60 -1.47 0.52 0.00 -0.61 0.00 0.00 39.78 38.82 3kgw n ASN 94 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3kgw h PRO 95 N 9.22 0.14 -3.88 3.52 0.11 -1.92 -3.32 132.00 135.86 3kgw h PRO 95 Ca -0.48 -0.02 -0.75 0.00 0.11 0.00 0.00 66.00 64.87 3kgw h PRO 95 Cb 1.25 -0.03 -0.15 0.00 0.11 0.00 0.00 31.00 32.19 3kgw h PRO 95 CO 0.94 0.18 1.98 -0.11 -0.21 0.00 0.00 178.00 180.78 3kgw n LEU 96 N -4.42 6.31 -3.88 2.35 0.00 -1.26 -4.69 117.00 111.41 3kgw n LEU 96 Ca -0.01 -4.54 -0.23 0.00 0.00 0.00 0.00 56.01 51.23 3kgw n LEU 96 Cb 0.16 -1.53 -0.17 0.00 0.00 0.00 0.00 43.42 41.88 3kgw n LEU 96 CO 0.36 1.18 -0.41 -0.89 0.00 0.00 0.00 177.39 177.62 3kgw s THR 97 N 0.98 0.66 0.31 1.96 2.01 -1.25 -0.79 115.64 119.53 3kgw s THR 97 Ca 0.41 -0.13 -0.18 0.00 0.31 0.00 0.00 61.69 62.10 3kgw s THR 97 Cb 0.07 -0.71 0.06 0.00 0.01 0.00 0.00 72.50 71.93 3kgw s THR 97 CO -0.00 0.28 0.85 -1.48 -0.69 0.00 0.00 174.62 173.57 3kgw s LEU 98 N 1.33 -0.04 -0.15 4.42 0.05 -0.35 -4.84 118.68 119.10 3kgw s LEU 98 Ca -0.04 -0.93 -0.07 0.00 0.05 0.00 0.00 54.13 53.14 3kgw s LEU 98 Cb -0.14 2.63 -0.04 0.00 -2.05 0.00 0.00 46.19 46.59 3kgw s LEU 98 CO -0.03 -1.45 0.07 -0.69 -0.55 0.00 0.00 176.35 173.71 3kgw s VAL 99 N -2.54 4.92 -0.15 1.48 1.01 -1.26 -1.39 120.40 122.47 3kgw s VAL 99 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 3kgw s VAL 99 Cb -0.04 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 3kgw s VAL 99 CO 0.09 0.52 0.29 -0.69 0.00 0.00 0.00 175.10 175.31 3kgw s VAL 100 N -0.17 5.30 -1.42 2.92 1.01 0.31 -4.96 120.40 123.39 3kgw s VAL 100 Ca 0.08 0.54 -0.09 0.00 0.00 0.00 0.00 61.98 62.51 3kgw s VAL 100 Cb -0.12 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.70 3kgw s VAL 100 CO 0.01 0.40 2.40 -1.20 0.00 0.00 0.00 175.10 176.71 3kgw n SER 101 N 3.46 6.84 -3.58 3.32 7.64 -1.26 -1.12 113.62 128.91 3kgw n SER 101 Ca -0.12 -2.93 0.03 0.00 1.01 0.00 0.00 58.87 56.85 3kgw n SER 101 Cb 0.52 -1.49 -0.00 0.00 -1.01 0.00 0.00 64.21 62.22 3kgw n SER 101 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3kgw s GLY 102 N 1.45 -0.46 0.77 0.23 0.00 -0.91 -4.96 107.32 103.44 3kgw s GLY 102 Ca 0.54 0.93 -0.13 0.00 0.00 0.00 0.00 44.72 46.06 3kgw s GLY 102 CO -0.06 0.19 0.73 -1.14 0.00 0.00 0.00 173.10 172.81 3kgw n SER 103 N -0.46 -1.43 -0.32 1.64 3.41 -1.21 -1.81 113.62 113.43 3kgw n SER 103 Ca -0.09 -0.99 0.09 0.00 -0.26 0.00 0.00 58.87 57.63 3kgw n SER 103 Cb 0.63 -0.65 0.26 0.00 -0.26 0.00 0.00 64.21 64.20 3kgw n SER 103 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3kgw h GLY 104 N -1.80 1.56 0.34 5.00 0.00 -1.86 0.20 103.07 106.50 3kgw h GLY 104 Ca -0.27 -0.30 0.14 0.00 0.00 0.00 0.00 47.33 46.90 3kgw h GLY 104 CO 0.18 -0.04 0.54 0.45 0.00 0.00 0.00 176.54 177.67 3kgw h HIS 105 N 0.70 0.97 -0.44 5.60 3.86 -1.98 -0.52 115.15 123.34 3kgw h HIS 105 Ca 0.51 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.64 3kgw h HIS 105 Cb 0.74 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 3kgw h HIS 105 CO -0.06 0.31 -0.17 0.00 0.86 0.00 0.00 177.93 178.88 3kgw h ALA 107 N 1.06 0.78 -0.47 0.00 0.00 -0.24 -0.21 119.26 120.19 3kgw h ALA 107 Ca 0.11 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.64 3kgw h ALA 107 Cb 0.69 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3kgw h ALA 107 CO 0.05 0.65 0.21 1.98 0.00 0.00 0.00 179.25 182.14 3kgw h MET 108 N 0.57 0.41 -0.65 0.00 4.05 -1.14 -0.67 114.93 117.50 3kgw h MET 108 Ca 0.05 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.37 3kgw h MET 108 Cb 0.90 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.58 3kgw h MET 108 CO 0.08 0.27 0.11 0.93 0.23 0.00 0.00 176.91 178.53 3kgw h GLU 109 N 0.42 1.08 -0.59 0.39 5.08 -1.21 -1.18 114.58 118.57 3kgw h GLU 109 Ca 0.21 -0.29 0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3kgw h GLU 109 Cb 0.15 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 3kgw h GLU 109 CO -0.17 0.99 0.29 1.15 -1.00 0.00 0.00 179.01 180.27 3kgw h THR 110 N 0.99 0.91 -0.11 1.13 2.02 -0.65 0.15 112.91 117.35 3kgw h THR 110 Ca 0.20 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 3kgw h THR 110 Cb 0.43 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3kgw h THR 110 CO 0.01 0.10 0.04 0.00 0.37 0.00 0.00 175.52 176.04 3kgw h ALA 111 N 1.34 0.14 -0.10 6.16 0.00 -0.83 -2.78 119.26 123.19 3kgw h ALA 111 Ca 0.27 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.85 3kgw h ALA 111 Cb 0.22 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.99 3kgw h ALA 111 CO -0.21 -0.26 -0.84 -0.07 0.00 0.00 0.00 179.25 177.87 3kgw h LEU 112 N 0.00 0.91 -1.37 0.00 3.38 -0.93 -1.32 115.31 115.99 3kgw h LEU 112 Ca 0.04 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.34 3kgw h LEU 112 Cb 0.19 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3kgw h LEU 112 CO -0.00 1.44 0.38 -0.26 0.09 0.00 0.00 178.44 180.09 3kgw h PHE 113 N 0.45 0.77 0.24 1.13 -1.00 -0.75 -1.47 116.94 116.31 3kgw h PHE 113 Ca -0.08 0.01 -0.33 0.00 2.81 0.00 0.00 57.97 60.38 3kgw h PHE 113 Cb 1.48 -0.26 0.04 0.00 3.61 0.00 0.00 35.95 40.82 3kgw h PHE 113 CO 0.10 0.50 -1.46 -0.91 -1.61 0.00 0.00 178.31 174.93 3kgw h ASN 114 N 0.82 0.84 0.82 2.17 2.35 -1.39 -3.39 115.58 117.80 3kgw h ASN 114 Ca 0.22 -0.89 -0.24 0.00 -0.55 0.00 0.00 56.30 54.84 3kgw h ASN 114 Cb -0.06 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.00 3kgw h ASN 114 CO -0.04 1.70 -1.23 -0.07 -1.65 0.00 0.00 177.43 176.13 3kgw h LEU 115 N 0.16 0.03 -9.06 1.61 3.38 -1.11 -3.42 115.31 106.90 3kgw h LEU 115 Ca -0.25 -0.04 -0.64 0.00 0.09 0.00 0.00 57.88 57.04 3kgw h LEU 115 Cb 2.15 -0.01 -0.18 0.00 0.09 0.00 0.00 40.66 42.71 3kgw h LEU 115 CO 0.27 1.03 -0.62 -0.76 0.09 0.00 0.00 178.44 178.46 3kgw s LEU 116 N -6.56 3.54 0.19 1.67 1.43 -0.56 -4.87 118.68 113.51 3kgw s LEU 116 Ca -0.01 0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 3kgw s LEU 116 Cb 0.09 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 3kgw s LEU 116 CO 0.82 0.23 0.14 -1.61 0.23 0.00 0.00 176.35 176.17 3kgw s GLU 117 N 0.00 2.87 0.10 1.70 2.02 -1.26 -4.79 118.70 119.34 3kgw s GLU 117 Ca 0.03 -0.95 -0.35 0.00 0.02 0.00 0.00 54.97 53.72 3kgw s GLU 117 Cb -0.13 -2.59 -0.15 0.00 0.10 0.00 0.00 34.13 31.36 3kgw s GLU 117 CO 0.02 0.46 1.51 -2.30 0.02 0.00 0.00 175.26 174.97 3kgw n PRO 118 N -0.58 1.73 0.00 0.39 -0.02 -1.26 -1.45 135.00 133.81 3kgw n PRO 118 Ca -0.08 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3kgw n PRO 118 Cb 0.56 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3kgw n PRO 118 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kgw n GLY 119 N 3.16 1.29 3.76 -1.23 0.00 0.50 -4.93 105.19 107.76 3kgw n GLY 119 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3kgw n GLY 119 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kgw s ASP 120 N -2.62 6.76 -0.07 1.61 1.01 -0.52 -4.36 116.67 118.46 3kgw s ASP 120 Ca 0.00 2.67 -0.30 0.00 0.71 0.00 0.00 52.55 55.63 3kgw s ASP 120 Cb 0.00 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 3kgw s ASP 120 CO 0.00 -0.57 1.19 -0.55 0.21 0.00 0.00 175.17 175.46 3kgw s SER 121 N -0.27 7.05 -0.04 0.27 0.15 -1.26 -0.48 113.70 119.12 3kgw s SER 121 Ca 0.51 1.78 0.03 0.00 0.70 0.00 0.00 55.95 58.97 3kgw s SER 121 Cb -0.40 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.36 3kgw s SER 121 CO 0.50 -0.60 -0.14 0.12 1.20 0.00 0.00 173.24 174.33 3kgw s PHE 122 N 2.36 1.44 -0.06 3.44 5.36 -0.39 -0.46 117.98 129.67 3kgw s PHE 122 Ca 0.55 -0.44 0.05 0.00 -0.96 0.00 0.00 56.93 56.13 3kgw s PHE 122 Cb -0.24 -1.01 -0.00 0.00 -0.34 0.00 0.00 43.02 41.43 3kgw s PHE 122 CO 0.21 -0.18 -0.21 -1.17 -1.46 0.00 0.00 175.22 172.40 3kgw s LEU 123 N 0.25 1.99 0.10 6.12 2.96 -0.51 -0.16 118.68 129.42 3kgw s LEU 123 Ca -0.07 -0.46 0.09 0.00 -0.22 0.00 0.00 54.13 53.48 3kgw s LEU 123 Cb -0.12 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 3kgw s LEU 123 CO 0.02 0.18 -0.22 0.42 -1.32 0.00 0.00 176.35 175.43 3kgw s THR 124 N 0.06 2.52 -1.01 3.68 -4.23 -0.43 -0.91 115.64 115.33 3kgw s THR 124 Ca -0.08 -1.52 -0.18 0.00 -1.18 0.00 0.00 61.69 58.73 3kgw s THR 124 Cb -0.14 -2.10 0.13 0.00 1.34 0.00 0.00 72.50 71.73 3kgw s THR 124 CO 0.04 0.18 1.25 -0.83 -0.54 0.00 0.00 174.62 174.72 3kgw s GLY 125 N -1.85 1.95 -1.04 3.99 0.00 -0.09 -0.95 107.32 109.34 3kgw s GLY 125 Ca 0.15 -2.85 -0.17 0.00 0.00 0.00 0.00 44.72 41.85 3kgw s GLY 125 CO 0.07 2.12 1.26 -1.59 0.00 0.00 0.00 173.10 174.95 3kgw s THR 126 N 2.74 4.79 -0.18 0.90 2.01 -0.31 -4.29 115.64 121.31 3kgw s THR 126 Ca 0.37 -1.94 0.16 0.00 0.31 0.00 0.00 61.69 60.59 3kgw s THR 126 Cb -0.04 -4.85 0.33 0.00 0.01 0.00 0.00 72.50 67.96 3kgw s THR 126 CO -0.07 -1.58 1.22 -0.46 -0.69 0.00 0.00 174.62 173.05 3kgw n ASN 127 N 6.35 2.81 0.00 3.53 6.94 -1.26 -1.86 115.26 131.77 3kgw n ASN 127 Ca 0.29 -2.89 0.00 0.00 -0.02 0.00 0.00 54.58 51.96 3kgw n ASN 127 Cb 0.47 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 3kgw n ASN 127 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kgw n GLY 128 N -0.95 -0.80 0.18 4.83 0.00 -1.26 -4.33 105.19 102.85 3kgw n GLY 128 Ca 0.16 -0.81 0.02 0.00 0.00 0.00 0.00 46.02 45.39 3kgw n GLY 128 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kgw h ILE 129 N 0.00 1.26 -0.15 -0.61 2.10 -1.95 -3.24 117.51 114.93 3kgw h ILE 129 Ca 0.00 -1.39 -0.12 0.00 1.08 0.00 0.00 64.86 64.43 3kgw h ILE 129 Cb 0.00 1.76 0.00 0.00 -1.09 0.00 0.00 36.82 37.49 3kgw h ILE 129 CO 0.00 0.40 -0.36 -0.50 -1.08 0.00 0.00 178.15 176.60 3kgw h TRP 130 N 0.00 0.65 -0.48 2.19 4.06 -1.95 -0.94 115.95 119.48 3kgw h TRP 130 Ca -0.00 -0.25 -0.06 0.00 2.06 0.00 0.00 58.89 60.64 3kgw h TRP 130 Cb 0.72 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 28.75 3kgw h TRP 130 CO 0.00 0.98 0.07 0.78 -3.56 0.00 0.00 178.44 176.71 3kgw h GLY 131 N 0.13 0.82 0.99 1.49 0.00 -1.74 -0.85 103.07 103.91 3kgw h GLY 131 Ca -0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 3kgw h GLY 131 CO 0.08 0.46 0.33 1.98 0.00 0.00 0.00 176.54 179.39 3kgw h MET 132 N 0.73 0.83 -0.59 4.80 1.85 -1.54 -1.22 114.93 119.79 3kgw h MET 132 Ca 0.15 -0.09 -0.06 0.00 -0.61 0.00 0.00 59.70 59.09 3kgw h MET 132 Cb 0.35 -0.16 -0.02 0.00 0.43 0.00 0.00 31.60 32.19 3kgw h MET 132 CO 0.01 0.63 0.15 -0.09 -0.40 0.00 0.00 176.91 177.20 3kgw h ARG 133 N 0.81 0.94 -0.91 0.39 9.65 -0.74 -1.24 114.38 123.28 3kgw h ARG 133 Ca 0.21 -0.22 0.01 0.00 -1.10 0.00 0.00 59.98 58.88 3kgw h ARG 133 Cb 0.03 -0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 28.44 3kgw h ARG 133 CO -0.03 0.86 0.60 0.00 2.80 0.00 0.00 179.97 184.20 3kgw h ALA 134 N 1.03 1.17 -0.81 2.80 0.00 -1.01 -1.20 119.26 121.24 3kgw h ALA 134 Ca 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3kgw h ALA 134 Cb 0.34 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3kgw h ALA 134 CO 0.00 0.54 0.47 0.00 0.00 0.00 0.00 179.25 180.26 3kgw h ALA 135 N 1.34 1.04 -0.26 0.00 0.00 -0.91 -1.00 119.26 119.47 3kgw h ALA 135 Ca 0.34 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3kgw h ALA 135 Cb -0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 3kgw h ALA 135 CO -0.08 0.53 0.15 1.49 0.00 0.00 0.00 179.25 181.34 3kgw h GLU 136 N 1.12 0.36 -0.46 0.00 4.57 -0.66 -0.51 114.58 119.00 3kgw h GLU 136 Ca 0.29 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 3kgw h GLU 136 Cb -0.01 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 3kgw h GLU 136 CO -0.05 0.29 0.25 0.82 -1.18 0.00 0.00 179.01 179.14 3kgw h ILE 137 N 0.32 1.16 -0.52 2.32 2.04 -0.97 -1.98 117.51 119.90 3kgw h ILE 137 Ca 0.09 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 3kgw h ILE 137 Cb 0.03 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3kgw h ILE 137 CO -0.02 0.17 0.15 0.00 0.00 0.00 0.00 178.15 178.45 3kgw h ALA 138 N 1.10 1.29 -0.67 1.87 0.00 -1.07 -2.25 119.26 119.53 3kgw h ALA 138 Ca 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3kgw h ALA 138 Cb 0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3kgw h ALA 138 CO -0.03 0.50 0.29 0.22 0.00 0.00 0.00 179.25 180.23 3kgw h ASP 139 N 0.75 0.91 -0.03 0.00 3.58 -0.77 -1.66 116.42 119.20 3kgw h ASP 139 Ca 0.17 -0.16 0.01 0.00 0.42 0.00 0.00 57.03 57.47 3kgw h ASP 139 Cb 0.24 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.06 3kgw h ASP 139 CO -0.01 0.81 0.02 0.03 -2.88 0.00 0.00 179.24 177.22 3kgw h ARG 140 N 0.94 0.00 -0.42 0.28 3.08 -0.76 -1.83 114.38 115.67 3kgw h ARG 140 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3kgw h ARG 140 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3kgw h ARG 140 CO -0.02 0.00 0.00 0.44 -1.07 0.00 0.00 179.97 179.32 3kgw n ILE 141 N -4.50 0.54 -0.69 2.04 -5.35 -1.09 -4.98 119.36 105.34 3kgw n ILE 141 Ca -0.02 -0.73 0.00 0.00 -0.27 0.00 0.00 62.75 61.73 3kgw n ILE 141 Cb 0.12 0.81 0.00 0.00 -1.74 0.00 0.00 39.64 38.83 3kgw n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kgw n GLY 142 N 1.48 0.61 3.77 3.28 0.00 -0.69 -4.06 105.19 109.58 3kgw n GLY 142 Ca 0.20 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 3kgw n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgw s ALA 143 N -2.00 2.35 -0.60 4.61 0.00 -0.65 -0.37 121.76 125.10 3kgw s ALA 143 Ca 0.00 0.31 -0.21 0.00 0.00 0.00 0.00 51.96 52.06 3kgw s ALA 143 Cb 0.00 -3.27 0.07 0.00 0.00 0.00 0.00 23.12 19.92 3kgw s ALA 143 CO 0.00 -1.59 0.85 1.03 0.00 0.00 0.00 175.76 176.05 3kgw s ARG 144 N -4.72 3.13 -0.18 0.00 1.81 0.37 -4.63 118.95 114.73 3kgw s ARG 144 Ca 0.62 -0.85 -0.17 0.00 -1.72 0.00 0.00 55.73 53.61 3kgw s ARG 144 Cb -0.18 -4.19 -0.04 0.00 -0.45 0.00 0.00 34.95 30.10 3kgw s ARG 144 CO 0.52 -1.61 0.44 0.08 -0.68 0.00 0.00 175.30 174.05 3kgw s VAL 145 N 3.53 5.18 0.08 3.52 1.01 -1.26 -1.26 120.40 131.19 3kgw s VAL 145 Ca 0.20 0.81 0.09 0.00 0.00 0.00 0.00 61.98 63.08 3kgw s VAL 145 Cb -0.18 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 3kgw s VAL 145 CO 0.11 0.26 -0.23 -1.00 0.00 0.00 0.00 175.10 174.24 3kgw s HIS 146 N 1.15 2.00 -0.01 5.22 3.76 0.77 -4.98 115.29 123.20 3kgw s HIS 146 Ca 0.22 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 54.74 3kgw s HIS 146 Cb -0.15 -1.15 0.01 0.00 1.11 0.00 0.00 32.58 32.41 3kgw s HIS 146 CO 0.09 0.18 -0.01 -0.65 -0.85 0.00 0.00 174.74 173.50 3kgw s GLN 147 N -1.58 0.21 -0.48 1.40 -0.21 -1.26 -1.31 119.66 116.43 3kgw s GLN 147 Ca 0.09 -0.02 -0.17 0.00 0.02 0.00 0.00 55.36 55.28 3kgw s GLN 147 Cb -0.10 -0.28 0.06 0.00 1.00 0.00 0.00 33.01 33.69 3kgw s GLN 147 CO 0.03 -0.02 0.50 -1.64 -2.12 0.00 0.00 175.29 172.04 3kgw s MET 148 N 0.35 3.06 -0.20 2.91 -1.94 -0.12 -4.95 119.30 118.41 3kgw s MET 148 Ca -0.03 -1.05 -0.13 0.00 -1.71 0.00 0.00 55.69 52.77 3kgw s MET 148 Cb -0.06 -4.09 -0.05 0.00 2.01 0.00 0.00 34.83 32.65 3kgw s MET 148 CO -0.01 -1.08 0.27 0.42 -0.01 0.00 0.00 175.02 174.61 3kgw s ILE 149 N 2.15 5.30 0.09 2.53 1.01 -1.26 -1.16 121.20 129.86 3kgw s ILE 149 Ca 0.10 0.45 0.04 0.00 0.00 0.00 0.00 60.65 61.24 3kgw s ILE 149 Cb -0.21 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 3kgw s ILE 149 CO 0.10 0.34 -0.11 -0.54 0.00 0.00 0.00 174.94 174.73 3kgw s LYS 150 N 0.87 0.83 0.44 2.79 1.02 -0.78 -5.02 119.74 119.90 3kgw s LYS 150 Ca 0.14 -1.08 -0.25 0.00 0.02 0.00 0.00 55.97 54.79 3kgw s LYS 150 Cb -0.13 -0.62 -0.09 0.00 -0.52 0.00 0.00 37.83 36.46 3kgw s LYS 150 CO 0.04 0.11 1.36 1.17 -0.92 0.00 0.00 175.35 177.12 3kgw n LYS 151 N 0.81 2.09 -1.83 1.68 3.00 -1.26 -4.39 118.16 118.26 3kgw n LYS 151 Ca -0.18 0.74 -0.42 0.00 -0.00 0.00 0.00 58.31 58.46 3kgw n LYS 151 Cb 0.56 -2.52 -0.02 0.00 0.00 0.00 0.00 35.03 33.05 3kgw n LYS 151 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3kgw s PRO 152 N -2.36 4.16 0.00 1.64 0.04 -1.26 -1.94 135.00 135.28 3kgw s PRO 152 Ca 0.61 2.51 0.00 0.00 0.04 0.00 0.00 61.00 64.16 3kgw s PRO 152 Cb -0.47 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 30.99 3kgw s PRO 152 CO 0.57 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 177.39 3kgw n GLY 153 N 3.06 0.58 3.84 0.56 0.00 -1.26 -5.03 105.19 106.94 3kgw n GLY 153 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 3kgw n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kgw s GLU 154 N -0.65 2.82 0.40 1.61 2.02 -0.82 -4.67 118.70 119.41 3kgw s GLU 154 Ca 0.00 -1.18 0.05 0.00 0.02 0.00 0.00 54.97 53.86 3kgw s GLU 154 Cb 0.00 -2.52 -0.06 0.00 0.10 0.00 0.00 34.13 31.65 3kgw s GLU 154 CO 0.00 0.24 0.03 -3.38 0.02 0.00 0.00 175.26 172.17 3kgw s HIS 155 N -2.22 2.24 -0.13 1.61 -3.43 -1.26 -4.92 115.29 107.18 3kgw s HIS 155 Ca 0.37 -0.82 -0.09 0.00 -0.80 0.00 0.00 55.06 53.72 3kgw s HIS 155 Cb -0.07 -1.59 -0.04 0.00 -1.43 0.00 0.00 32.58 29.45 3kgw s HIS 155 CO 0.26 0.26 0.17 0.71 -2.00 0.00 0.00 174.74 174.13 3kgw s TYR 156 N -2.92 3.56 0.50 0.38 2.02 -1.26 -5.09 117.35 114.54 3kgw s TYR 156 Ca 0.30 0.53 -0.02 0.00 -0.37 0.00 0.00 57.07 57.52 3kgw s TYR 156 Cb 0.08 -2.04 -0.00 0.00 -0.40 0.00 0.00 41.96 39.60 3kgw s TYR 156 CO 0.15 0.61 0.75 0.95 -1.57 0.00 0.00 175.55 176.44 3kgw s THR 157 N -0.66 3.90 0.38 -0.71 -4.23 -1.26 -4.80 115.64 108.26 3kgw s THR 157 Ca 0.14 -0.32 0.06 0.00 -1.18 0.00 0.00 61.69 60.39 3kgw s THR 157 Cb -0.12 -3.48 0.28 0.00 1.34 0.00 0.00 72.50 70.52 3kgw s THR 157 CO 0.04 -0.39 2.00 -0.07 -0.54 0.00 0.00 174.62 175.66 3kgw h LEU 158 N 0.21 0.61 -0.34 4.79 3.38 -1.98 -2.06 115.31 119.92 3kgw h LEU 158 Ca -0.46 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 3kgw h LEU 158 Cb 1.25 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 3kgw h LEU 158 CO 0.58 0.42 -0.08 -0.61 0.09 0.00 0.00 178.44 178.84 3kgw h GLN 159 N 0.71 0.67 -0.47 1.13 4.15 -1.99 0.10 115.11 119.41 3kgw h GLN 159 Ca 0.25 -0.26 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 3kgw h GLN 159 Cb 0.11 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 3kgw h GLN 159 CO -0.07 0.83 0.26 0.93 -1.93 0.00 0.00 178.83 178.85 3kgw h GLU 160 N 0.45 0.66 -0.51 1.69 5.08 -1.88 -1.59 114.58 118.48 3kgw h GLU 160 Ca 0.09 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3kgw h GLU 160 Cb 0.59 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3kgw h GLU 160 CO 0.03 0.53 0.23 0.28 -1.00 0.00 0.00 179.01 179.08 3kgw h VAL 161 N 0.62 1.21 -0.79 3.13 2.07 -1.19 -2.10 116.25 119.20 3kgw h VAL 161 Ca 0.17 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 67.12 3kgw h VAL 161 Cb 0.06 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 3kgw h VAL 161 CO -0.03 0.24 0.49 -0.08 0.02 0.00 0.00 177.57 178.21 3kgw h GLU 162 N 0.69 0.91 -0.92 1.57 4.81 -0.52 -1.13 114.58 119.98 3kgw h GLU 162 Ca 0.17 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3kgw h GLU 162 Cb 0.16 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 3kgw h GLU 162 CO -0.02 0.60 0.53 0.93 -0.73 0.00 0.00 179.01 180.32 3kgw h GLU 163 N 0.93 1.28 -0.44 1.92 5.08 -0.98 -0.95 114.58 121.42 3kgw h GLU 163 Ca 0.33 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 3kgw h GLU 163 Cb 0.08 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3kgw h GLU 163 CO -0.14 0.91 -0.07 0.78 -1.00 0.00 0.00 179.01 179.49 3kgw h GLY 164 N 1.29 0.89 0.89 -3.84 0.00 -0.69 -2.30 103.07 99.32 3kgw h GLY 164 Ca 0.33 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 3kgw h GLY 164 CO -0.06 0.65 0.02 1.41 0.00 0.00 0.00 176.54 178.57 3kgw h LEU 165 N 0.66 0.06 -1.07 3.11 3.38 -0.93 -0.88 115.31 119.63 3kgw h LEU 165 Ca 0.12 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3kgw h LEU 165 Cb 0.60 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 3kgw h LEU 165 CO 0.04 0.16 0.63 0.00 0.09 0.00 0.00 178.44 179.36 3kgw h ALA 166 N 0.90 1.33 -0.06 1.53 0.00 -1.20 0.34 119.26 122.10 3kgw h ALA 166 Ca 0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3kgw h ALA 166 Cb 0.12 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3kgw h ALA 166 CO -0.00 0.62 -0.15 0.37 0.00 0.00 0.00 179.25 180.09 3kgw h GLN 167 N 1.28 0.21 0.00 0.00 4.15 -1.28 -3.38 115.11 116.09 3kgw h GLN 167 Ca 0.35 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.63 3kgw h GLN 167 Cb -0.13 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.58 3kgw h GLN 167 CO -0.08 0.75 -1.35 0.72 -1.93 0.00 0.00 178.83 176.93 3kgw n HIS 168 N -4.60 0.02 -3.90 3.99 8.25 -0.35 -5.02 115.22 113.60 3kgw n HIS 168 Ca -0.08 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.09 3kgw n HIS 168 Cb 0.39 -0.20 -0.00 0.00 1.12 0.00 0.00 29.99 31.29 3kgw n HIS 168 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kgw n LYS 169 N -1.80 -2.31 -1.99 -0.41 4.76 0.11 -4.90 118.16 111.62 3kgw n LYS 169 Ca 0.01 0.37 -0.32 0.00 -2.87 0.00 0.00 58.31 55.50 3kgw n LYS 169 Cb 0.42 -4.18 0.01 0.00 -1.84 0.00 0.00 35.03 29.44 3kgw n LYS 169 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3kgw s PRO 170 N -6.51 3.31 0.30 1.97 0.04 -1.26 -4.76 135.00 128.09 3kgw s PRO 170 Ca 0.18 1.12 0.22 0.00 0.04 0.00 0.00 61.00 62.56 3kgw s PRO 170 Cb -0.07 -2.04 0.14 0.00 0.04 0.00 0.00 34.50 32.57 3kgw s PRO 170 CO 0.89 -0.81 1.29 -0.39 0.04 0.00 0.00 177.00 178.03 3kgw h VAL 171 N 0.25 0.08 -3.10 -0.36 -1.51 -1.04 -3.38 116.25 107.18 3kgw h VAL 171 Ca -0.46 -1.13 -0.17 0.00 -1.23 0.00 0.00 66.70 63.70 3kgw h VAL 171 Cb 1.21 1.79 -0.27 0.00 -2.13 0.00 0.00 31.29 31.90 3kgw h VAL 171 CO 0.58 0.05 -0.45 -0.22 -1.23 0.00 0.00 177.57 176.30 3kgw s LEU 172 N -5.81 0.86 -0.12 4.19 2.96 -1.25 -1.42 118.68 118.10 3kgw s LEU 172 Ca 0.03 0.51 -0.00 0.00 -0.22 0.00 0.00 54.13 54.44 3kgw s LEU 172 Cb 0.07 0.81 -0.02 0.00 0.50 0.00 0.00 46.19 47.56 3kgw s LEU 172 CO 0.74 -0.11 -0.12 -0.22 -1.32 0.00 0.00 176.35 175.32 3kgw s LEU 173 N 0.48 2.80 -0.25 -0.68 2.96 -0.18 -1.43 118.68 122.37 3kgw s LEU 173 Ca -0.03 -0.28 -0.08 0.00 -0.22 0.00 0.00 54.13 53.52 3kgw s LEU 173 Cb -0.04 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 3kgw s LEU 173 CO -0.02 0.19 0.10 0.12 -1.32 0.00 0.00 176.35 175.42 3kgw s PHE 174 N 0.20 3.14 -0.04 5.38 5.36 -0.08 -0.97 117.98 130.97 3kgw s PHE 174 Ca -0.07 -0.23 0.05 0.00 -0.96 0.00 0.00 56.93 55.72 3kgw s PHE 174 Cb -0.15 -2.27 -0.01 0.00 -0.34 0.00 0.00 43.02 40.26 3kgw s PHE 174 CO 0.05 -0.26 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.85 3kgw s LEU 175 N 1.56 1.96 -0.19 6.12 1.43 -0.39 -0.91 118.68 128.25 3kgw s LEU 175 Ca 0.06 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 52.64 3kgw s LEU 175 Cb -0.15 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 3kgw s LEU 175 CO 0.06 0.18 0.42 -0.69 0.23 0.00 0.00 176.35 176.55 3kgw s VAL 176 N -0.10 5.19 -0.09 -1.59 1.01 -1.26 -1.64 120.40 121.91 3kgw s VAL 176 Ca -0.01 0.76 -0.15 0.00 0.00 0.00 0.00 61.98 62.58 3kgw s VAL 176 Cb -0.11 -3.75 -0.12 0.00 0.00 0.00 0.00 36.38 32.41 3kgw s VAL 176 CO 0.02 0.25 0.51 -0.74 0.00 0.00 0.00 175.10 175.13 3kgw h HIS 177 N 7.32 -0.11 -3.49 5.22 2.76 -1.16 -3.40 115.15 122.29 3kgw h HIS 177 Ca -0.36 -0.00 -0.70 0.00 -2.20 0.00 0.00 60.37 57.10 3kgw h HIS 177 Cb 1.16 0.04 -0.32 0.00 1.55 0.00 0.00 27.41 29.84 3kgw h HIS 177 CO 0.68 0.28 -0.53 0.20 -1.30 0.00 0.00 177.93 177.26 3kgw s GLY 178 N -3.57 1.96 -0.78 5.26 0.00 -1.25 -0.93 107.32 108.01 3kgw s GLY 178 Ca -0.09 -2.32 -0.23 0.00 0.00 0.00 0.00 44.72 42.08 3kgw s GLY 178 CO 0.33 0.97 1.12 1.85 0.00 0.00 0.00 173.10 177.38 3kgw s GLU 179 N 1.26 3.29 0.57 2.90 -6.30 0.37 -4.44 118.70 116.35 3kgw s GLU 179 Ca 0.05 -0.95 0.35 0.00 -2.50 0.00 0.00 54.97 51.92 3kgw s GLU 179 Cb -0.23 -4.51 1.60 0.00 0.00 0.00 0.00 34.13 30.99 3kgw s GLU 179 CO -0.02 -1.93 2.07 0.66 0.02 0.00 0.00 175.26 176.07 3kgw h SER 180 N 9.54 0.00 0.93 -1.70 4.64 -1.95 0.16 113.55 125.16 3kgw h SER 180 Ca -0.13 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.00 3kgw h SER 180 Cb 1.05 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.11 3kgw h SER 180 CO 1.22 0.02 -0.88 0.77 -0.87 0.00 0.00 176.83 177.09 3kgw h SER 181 N 0.00 0.00 -0.00 4.97 4.64 -1.89 -3.38 113.55 117.89 3kgw h SER 181 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kgw h SER 181 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3kgw h SER 181 CO 0.00 0.88 -0.27 0.35 -0.87 0.00 0.00 176.83 176.92 3kgw n THR 182 N -3.45 0.00 -2.23 2.95 -2.24 -0.99 -4.46 114.28 103.86 3kgw n THR 182 Ca -0.00 -0.36 -0.07 0.00 -2.27 0.00 0.00 64.05 61.34 3kgw n THR 182 Cb 0.85 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 70.08 3kgw n THR 182 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kgw n GLY 183 N 1.13 0.12 3.65 3.38 0.00 0.51 -4.64 105.19 109.35 3kgw n GLY 183 Ca 0.01 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 3kgw n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kgw s VAL 184 N -2.45 4.33 -0.20 1.61 1.01 -1.12 -1.08 120.40 122.50 3kgw s VAL 184 Ca 0.03 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 3kgw s VAL 184 Cb -0.01 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 3kgw s VAL 184 CO 0.03 0.57 0.05 0.54 0.00 0.00 0.00 175.10 176.29 3kgw s VAL 185 N -0.51 4.55 -0.17 2.92 0.11 0.09 -0.48 120.40 126.91 3kgw s VAL 185 Ca 0.09 -0.11 -0.18 0.00 -2.93 0.00 0.00 61.98 58.84 3kgw s VAL 185 Cb -0.12 -3.06 -0.04 0.00 -1.53 0.00 0.00 36.38 31.63 3kgw s VAL 185 CO 0.02 0.43 0.50 -1.58 -3.33 0.00 0.00 175.10 171.14 3kgw s GLN 186 N 0.72 4.25 0.37 1.54 2.00 -0.10 -4.72 119.66 123.72 3kgw s GLN 186 Ca 0.03 0.43 -0.28 0.00 -2.00 0.00 0.00 55.36 53.53 3kgw s GLN 186 Cb -0.13 -3.51 -0.11 0.00 0.80 0.00 0.00 33.01 30.05 3kgw s GLN 186 CO 0.02 -0.03 1.52 -2.14 -0.50 0.00 0.00 175.29 174.16 3kgw s PRO 187 N 1.23 4.09 -0.01 1.67 0.02 -1.26 -4.88 135.00 135.86 3kgw s PRO 187 Ca 0.25 2.60 0.10 0.00 0.02 0.00 0.00 61.00 63.97 3kgw s PRO 187 Cb -0.15 -2.97 -0.14 0.00 0.02 0.00 0.00 34.50 31.25 3kgw s PRO 187 CO 0.10 -0.58 0.28 1.28 -0.33 0.00 0.00 177.00 177.76 3kgw n LEU 188 N 0.71 0.13 -4.73 -5.54 4.77 -1.26 -4.94 117.00 106.14 3kgw n LEU 188 Ca 0.02 -0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.44 3kgw n LEU 188 Cb 0.39 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 3kgw n LEU 188 CO 0.64 0.03 1.23 -1.81 -1.33 0.00 0.00 177.39 176.16 3kgw s ASP 189 N -2.82 6.52 0.00 -1.43 1.01 -1.26 -2.80 116.67 115.89 3kgw s ASP 189 Ca -0.02 2.73 0.00 0.00 0.71 0.00 0.00 52.55 55.97 3kgw s ASP 189 Cb 0.07 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.39 3kgw s ASP 189 CO 0.42 -0.84 0.00 0.61 0.21 0.00 0.00 175.17 175.57 3kgw n GLY 190 N 3.22 3.16 0.19 0.21 0.00 -1.26 -4.91 105.19 105.80 3kgw n GLY 190 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 3kgw n GLY 190 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kgw h PHE 191 N 0.00 0.64 -0.50 1.61 -1.00 -1.80 -1.92 116.94 113.98 3kgw h PHE 191 Ca 0.00 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.68 3kgw h PHE 191 Cb 0.00 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.36 3kgw h PHE 191 CO 0.00 0.69 0.33 0.78 -1.61 0.00 0.00 178.31 178.50 3kgw h GLY 192 N 0.41 0.71 1.91 -1.45 0.00 -1.77 -1.17 103.07 101.70 3kgw h GLY 192 Ca 0.10 -0.26 -0.11 0.00 0.00 0.00 0.00 47.33 47.06 3kgw h GLY 192 CO 0.01 0.26 -0.49 0.83 0.00 0.00 0.00 176.54 177.15 3kgw h GLU 193 N 0.68 0.10 -0.18 4.80 4.39 -1.77 -1.26 114.58 121.34 3kgw h GLU 193 Ca 0.18 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.83 3kgw h GLU 193 Cb -0.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3kgw h GLU 193 CO -0.04 0.57 0.12 1.25 -1.16 0.00 0.00 179.01 179.75 3kgw h LEU 194 N 0.08 0.21 -0.67 1.33 5.85 -1.06 -2.47 115.31 118.59 3kgw h LEU 194 Ca 0.00 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3kgw h LEU 194 Cb 0.90 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 3kgw h LEU 194 CO 0.07 0.17 0.39 0.00 -0.34 0.00 0.00 178.44 178.73 3kgw h HIS 196 N 0.75 0.15 0.00 0.00 3.86 -0.96 -0.19 115.15 118.76 3kgw h HIS 196 Ca 0.28 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.46 3kgw h HIS 196 Cb 0.11 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 3kgw h HIS 196 CO -0.06 0.23 -0.11 0.00 0.86 0.00 0.00 177.93 178.85 3kgw h ARG 197 N 0.15 0.00 -0.58 2.45 3.08 -1.09 -1.14 114.38 117.25 3kgw h ARG 197 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3kgw h ARG 197 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3kgw h ARG 197 CO 0.01 0.11 0.00 0.66 -1.07 0.00 0.00 179.97 179.68 3kgw n TYR 198 N -3.83 1.45 -3.52 3.04 4.02 -0.21 -4.95 117.16 113.16 3kgw n TYR 198 Ca -0.02 -0.65 -0.25 0.00 -0.01 0.00 0.00 57.90 56.97 3kgw n TYR 198 Cb 0.21 -0.28 0.06 0.00 -0.02 0.00 0.00 39.34 39.31 3kgw n TYR 198 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3kgw n GLN 199 N 0.84 -6.76 -5.29 -0.72 6.02 -0.43 -4.85 117.38 106.18 3kgw n GLN 199 Ca 0.25 0.80 -0.31 0.00 -0.01 0.00 0.00 57.00 57.72 3kgw n GLN 199 Cb 0.91 -5.78 -0.16 0.00 1.02 0.00 0.00 30.24 26.23 3kgw n GLN 199 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kgw s LEU 201 N -0.43 4.06 -0.23 0.00 1.43 -0.51 -3.26 118.68 119.75 3kgw s LEU 201 Ca 0.04 1.11 -0.05 0.00 -1.03 0.00 0.00 54.13 54.21 3kgw s LEU 201 Cb -0.12 -3.92 -0.01 0.00 0.03 0.00 0.00 46.19 42.18 3kgw s LEU 201 CO 0.01 -0.19 -0.01 -0.22 0.23 0.00 0.00 176.35 176.16 3kgw s LEU 202 N -3.09 3.05 -0.19 1.79 2.96 -1.26 -1.01 118.68 120.93 3kgw s LEU 202 Ca 0.51 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 54.02 3kgw s LEU 202 Cb -0.11 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 3kgw s LEU 202 CO 0.21 -0.03 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.98 3kgw s LEU 203 N 1.51 3.20 -0.09 -0.68 2.96 -0.14 -1.50 118.68 123.95 3kgw s LEU 203 Ca 0.06 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.79 3kgw s LEU 203 Cb -0.15 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 3kgw s LEU 203 CO -0.02 0.09 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.22 3kgw s VAL 204 N 0.86 2.56 -0.33 1.68 1.01 -0.33 -1.27 120.40 124.59 3kgw s VAL 204 Ca 0.00 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 60.92 3kgw s VAL 204 Cb -0.14 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 3kgw s VAL 204 CO 0.02 0.56 0.59 -0.62 0.00 0.00 0.00 175.10 175.64 3kgw s ASP 205 N 0.04 6.42 -0.23 3.32 -1.08 -0.65 -2.49 116.67 122.00 3kgw s ASP 205 Ca -0.07 0.24 0.10 0.00 -0.52 0.00 0.00 52.55 52.30 3kgw s ASP 205 Cb -0.15 -2.31 0.43 0.00 -1.46 0.00 0.00 42.92 39.43 3kgw s ASP 205 CO 0.05 -0.49 1.21 -1.54 0.52 0.00 0.00 175.17 174.92 3kgw n SER 206 N 5.86 2.38 -0.21 -0.34 3.41 -0.14 -0.54 113.62 124.04 3kgw n SER 206 Ca -0.02 -3.86 -0.01 0.00 -0.26 0.00 0.00 58.87 54.72 3kgw n SER 206 Cb 0.49 -0.49 0.10 0.00 -0.26 0.00 0.00 64.21 64.05 3kgw n SER 206 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3kgw h VAL 207 N 1.30 0.85 -0.01 -3.33 2.07 -1.89 -0.87 116.25 114.37 3kgw h VAL 207 Ca 0.08 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3kgw h VAL 207 Cb 1.12 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3kgw h VAL 207 CO 0.16 0.09 -0.37 0.00 0.02 0.00 0.00 177.57 177.47 3kgw n ALA 208 N -2.41 3.32 -0.03 1.67 0.00 -1.26 -4.40 120.51 117.40 3kgw n ALA 208 Ca 0.08 -0.51 -0.03 0.00 0.00 0.00 0.00 53.44 52.99 3kgw n ALA 208 Cb 0.24 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 3kgw n ALA 208 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kgw n SER 209 N -0.43 3.60 -4.69 0.00 3.41 -1.05 -4.75 113.62 109.71 3kgw n SER 209 Ca 0.11 -0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.28 3kgw n SER 209 Cb 0.40 0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 64.93 3kgw n SER 209 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3kgw n LEU 210 N -2.23 3.45 0.00 1.04 7.94 -0.36 -1.15 117.00 125.69 3kgw n LEU 210 Ca -0.09 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.94 3kgw n LEU 210 Cb 0.68 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 43.16 3kgw n LEU 210 CO 0.12 -0.28 0.00 0.61 -1.11 0.00 0.00 177.39 176.73 3kgw n GLY 211 N 2.37 2.91 0.00 -3.96 0.00 -1.26 -4.50 105.19 100.75 3kgw n GLY 211 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 3kgw n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgw n GLY 212 N -2.00 -0.24 2.96 -0.02 0.00 -0.30 -4.33 105.19 101.27 3kgw n GLY 212 Ca 0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 3kgw n GLY 212 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kgw s VAL 213 N -2.35 0.67 0.11 1.61 1.01 -0.64 -4.67 120.40 116.13 3kgw s VAL 213 Ca -0.02 -0.27 -0.35 0.00 0.00 0.00 0.00 61.98 61.33 3kgw s VAL 213 Cb 0.03 -0.62 -0.15 0.00 0.00 0.00 0.00 36.38 35.64 3kgw s VAL 213 CO 0.22 0.23 1.47 -2.65 0.00 0.00 0.00 175.10 174.36 3kgw n PRO 214 N 3.50 1.64 -3.78 2.72 -0.02 -1.26 -4.74 135.00 133.05 3kgw n PRO 214 Ca -0.20 0.59 -0.13 0.00 -2.02 0.00 0.00 63.50 61.74 3kgw n PRO 214 Cb 0.54 -2.30 -0.13 0.00 -0.02 0.00 0.00 33.50 31.59 3kgw n PRO 214 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kgw s ILE 215 N 0.83 -0.01 -0.42 4.25 1.01 -1.26 -5.03 121.20 120.56 3kgw s ILE 215 Ca 0.82 0.05 0.02 0.00 0.00 0.00 0.00 60.65 61.54 3kgw s ILE 215 Cb -0.82 -0.30 0.14 0.00 0.01 0.00 0.00 42.46 41.49 3kgw s ILE 215 CO 0.43 0.02 0.25 -0.31 0.00 0.00 0.00 174.94 175.34 3kgw s TYR 216 N 0.47 1.60 0.13 3.97 1.51 -1.26 -4.68 117.35 119.09 3kgw s TYR 216 Ca -0.03 -2.22 -0.25 0.00 -1.01 0.00 0.00 57.07 53.56 3kgw s TYR 216 Cb -0.04 -1.54 -0.02 0.00 -0.11 0.00 0.00 41.96 40.24 3kgw s TYR 216 CO -0.02 -0.79 1.63 1.98 -1.11 0.00 0.00 175.55 177.23 3kgw h MET 217 N 6.63 -0.34 -0.25 -0.62 4.05 -1.12 -0.33 114.93 122.95 3kgw h MET 217 Ca 0.05 0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.44 3kgw h MET 217 Cb 0.93 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.80 3kgw h MET 217 CO 0.42 -0.23 -0.03 -0.44 0.23 0.00 0.00 176.91 176.86 3kgw h ASP 218 N -0.36 0.47 0.30 1.39 5.19 -1.74 -1.89 116.42 119.77 3kgw h ASP 218 Ca 0.09 -0.34 -0.05 0.00 -0.62 0.00 0.00 57.03 56.11 3kgw h ASP 218 Cb 0.49 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 3kgw h ASP 218 CO -0.31 0.70 -0.26 1.56 -3.12 0.00 0.00 179.24 177.81 3kgw h GLN 219 N 0.23 0.00 -0.03 3.56 4.20 -1.76 -2.16 115.11 119.15 3kgw h GLN 219 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3kgw h GLN 219 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3kgw h GLN 219 CO 0.02 0.26 0.00 1.04 -0.67 0.00 0.00 178.83 179.48 3kgw n GLN 220 N -4.13 1.56 -1.87 1.46 6.02 -0.15 -4.95 117.38 115.31 3kgw n GLN 220 Ca -0.02 -0.81 -0.10 0.00 -0.01 0.00 0.00 57.00 56.06 3kgw n GLN 220 Cb 0.32 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 30.09 3kgw n GLN 220 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kgw n GLY 221 N 1.13 0.37 3.69 1.08 0.00 -0.81 -3.89 105.19 106.77 3kgw n GLY 221 Ca 0.19 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 3kgw n GLY 221 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kgw s ILE 222 N -2.45 4.87 -0.10 -0.61 1.01 -0.72 -4.42 121.20 118.78 3kgw s ILE 222 Ca 0.00 1.86 -0.08 0.00 0.00 0.00 0.00 60.65 62.42 3kgw s ILE 222 Cb 0.00 -4.23 -0.27 0.00 0.01 0.00 0.00 42.46 37.96 3kgw s ILE 222 CO 0.00 0.09 0.45 0.44 0.00 0.00 0.00 174.94 175.92 3kgw h ASP 223 N 7.03 0.47 -3.90 3.58 3.32 -1.57 -3.42 116.42 121.93 3kgw h ASP 223 Ca -0.34 -0.95 -0.36 0.00 0.02 0.00 0.00 57.03 55.40 3kgw h ASP 223 Cb 1.17 -0.15 -0.29 0.00 0.22 0.00 0.00 39.33 40.27 3kgw h ASP 223 CO 0.81 1.83 -0.77 -0.63 -1.72 0.00 0.00 179.24 178.77 3kgw s ILE 224 N -2.56 0.55 -0.06 0.35 1.09 -0.63 -1.25 121.20 118.69 3kgw s ILE 224 Ca -0.21 -0.28 -0.09 0.00 -1.10 0.00 0.00 60.65 58.98 3kgw s ILE 224 Cb 0.06 -0.48 0.02 0.00 -1.06 0.00 0.00 42.46 41.00 3kgw s ILE 224 CO 0.79 0.17 0.23 -0.32 -0.10 0.00 0.00 174.94 175.71 3kgw s MET 225 N -0.02 0.37 0.07 2.79 1.75 -0.77 -1.18 119.30 122.31 3kgw s MET 225 Ca 0.01 0.12 0.01 0.00 -1.25 0.00 0.00 55.69 54.58 3kgw s MET 225 Cb -0.04 0.17 -0.04 0.00 2.84 0.00 0.00 34.83 37.76 3kgw s MET 225 CO -0.00 -0.07 -0.06 1.52 -0.65 0.00 0.00 175.02 175.76 3kgw s TYR 226 N -0.36 0.74 0.26 4.11 -0.85 -1.04 -1.23 117.35 118.98 3kgw s TYR 226 Ca -0.05 -0.81 -0.01 0.00 -0.52 0.00 0.00 57.07 55.68 3kgw s TYR 226 Cb -0.03 -0.45 0.00 0.00 0.38 0.00 0.00 41.96 41.86 3kgw s TYR 226 CO 0.01 -0.17 0.35 0.45 -1.52 0.00 0.00 175.55 174.67 3kgw n SER 227 N 0.46 -0.98 -4.29 -0.18 2.88 -0.37 -0.96 113.62 110.18 3kgw n SER 227 Ca -0.16 -2.43 -0.20 0.00 -1.33 0.00 0.00 58.87 54.75 3kgw n SER 227 Cb 0.59 1.84 -0.10 0.00 -0.75 0.00 0.00 64.21 65.79 3kgw n SER 227 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3kgw s SER 228 N -2.63 1.95 0.24 -3.46 1.04 -1.26 -1.27 113.70 108.31 3kgw s SER 228 Ca 0.22 -1.45 0.13 0.00 0.48 0.00 0.00 55.95 55.33 3kgw s SER 228 Cb -0.01 0.16 0.11 0.00 0.10 0.00 0.00 66.02 66.38 3kgw s SER 228 CO 0.16 -0.74 1.46 0.77 0.98 0.00 0.00 173.24 175.87 3kgw h SER 229 N 2.16 0.00 -0.45 7.02 4.64 -1.78 -3.39 113.55 121.75 3kgw h SER 229 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3kgw h SER 229 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3kgw h SER 229 CO 0.62 0.66 0.00 0.00 -0.87 0.00 0.00 176.83 177.24 3kgw n GLN 230 N -3.38 2.46 0.00 4.77 0.00 -1.24 -1.14 117.38 118.85 3kgw n GLN 230 Ca 0.01 -2.22 0.00 0.00 0.00 0.00 0.00 57.00 54.78 3kgw n GLN 230 Cb 0.75 -1.51 0.00 0.00 0.00 0.00 0.00 30.24 29.48 3kgw n GLN 230 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3kgw n LYS 231 N 1.39 0.00 0.02 2.61 4.76 -1.26 -1.37 118.16 124.31 3kgw n LYS 231 Ca 0.20 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.71 3kgw n LYS 231 Cb 0.57 0.00 0.48 0.00 -1.84 0.00 0.00 35.03 34.25 3kgw n LYS 231 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3kgw h VAL 232 N 0.00 1.03 0.00 -0.18 2.07 -1.83 -2.60 116.25 114.73 3kgw h VAL 232 Ca 0.00 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3kgw h VAL 232 Cb 0.00 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3kgw h VAL 232 CO 0.00 0.08 0.00 -0.07 0.02 0.00 0.00 177.57 177.60 3kgw h LEU 233 N 0.42 0.00 1.12 2.57 4.07 -1.83 -3.31 115.31 118.35 3kgw h LEU 233 Ca 0.16 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.76 3kgw h LEU 233 Cb 0.13 0.00 0.04 0.00 1.08 0.00 0.00 40.66 41.91 3kgw h LEU 233 CO -0.04 0.00 -0.54 0.59 -1.08 0.00 0.00 178.44 177.38 3kgw n ASN 234 N -3.07 -5.64 -4.78 -0.43 5.03 -0.98 -4.74 115.26 100.65 3kgw n ASN 234 Ca -0.01 -0.22 -0.22 0.00 0.87 0.00 0.00 54.58 54.99 3kgw n ASN 234 Cb 0.19 -4.50 -0.05 0.00 -1.02 0.00 0.00 39.78 34.40 3kgw n ASN 234 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kgw s ALA 235 N -3.09 3.67 0.54 5.41 0.00 -0.29 -3.36 121.76 124.65 3kgw s ALA 235 Ca 0.23 -1.83 -0.20 0.00 0.00 0.00 0.00 51.96 50.15 3kgw s ALA 235 Cb -0.10 -0.83 -0.05 0.00 0.00 0.00 0.00 23.12 22.14 3kgw s ALA 235 CO 0.28 -0.04 1.18 -2.14 0.00 0.00 0.00 175.76 175.05 3kgw s PRO 236 N -3.93 3.28 0.79 0.00 0.02 -1.26 -3.66 135.00 130.23 3kgw s PRO 236 Ca 0.40 1.78 -0.13 0.00 0.02 0.00 0.00 61.00 63.08 3kgw s PRO 236 Cb -0.03 -2.08 0.07 0.00 0.02 0.00 0.00 34.50 32.48 3kgw s PRO 236 CO 0.24 -0.95 1.15 -1.25 -0.33 0.00 0.00 177.00 175.87 3kgw s PRO 237 N -3.15 1.89 0.00 5.54 0.04 -1.26 -4.46 135.00 133.60 3kgw s PRO 237 Ca 0.72 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.30 3kgw s PRO 237 Cb -0.29 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3kgw s PRO 237 CO 0.32 -1.98 0.00 0.41 0.04 0.00 0.00 177.00 175.79 3kgw n GLY 238 N -0.09 1.72 3.32 0.56 0.00 -1.26 -5.03 105.19 104.41 3kgw n GLY 238 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 3kgw n GLY 238 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kgw s ILE 239 N -1.20 1.66 0.11 -0.61 -4.36 -1.23 -2.14 121.20 113.44 3kgw s ILE 239 Ca 0.00 -2.09 0.02 0.00 -0.26 0.00 0.00 60.65 58.32 3kgw s ILE 239 Cb 0.00 -1.93 -0.04 0.00 1.25 0.00 0.00 42.46 41.74 3kgw s ILE 239 CO 0.00 -0.53 -0.05 -0.44 0.24 0.00 0.00 174.94 174.15 3kgw s SER 240 N -3.08 1.12 -0.09 4.36 0.01 -0.28 -2.43 113.70 113.31 3kgw s SER 240 Ca 0.19 -1.03 0.02 0.00 1.31 0.00 0.00 55.95 56.44 3kgw s SER 240 Cb -0.02 0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.30 3kgw s SER 240 CO 0.06 -0.49 -0.16 -0.76 0.41 0.00 0.00 173.24 172.30 3kgw s LEU 241 N -3.06 2.60 -0.00 2.44 1.02 -0.40 -0.53 118.68 120.74 3kgw s LEU 241 Ca 0.14 -0.32 -0.06 0.00 0.02 0.00 0.00 54.13 53.91 3kgw s LEU 241 Cb 0.05 -1.54 0.00 0.00 0.02 0.00 0.00 46.19 44.72 3kgw s LEU 241 CO -0.04 0.24 0.12 -0.51 0.02 0.00 0.00 176.35 176.19 3kgw s ILE 242 N -0.12 0.07 -0.06 -0.59 2.07 -0.49 -1.24 121.20 120.85 3kgw s ILE 242 Ca -0.02 -0.61 -0.04 0.00 -1.41 0.00 0.00 60.65 58.57 3kgw s ILE 242 Cb -0.14 -0.38 0.03 0.00 0.13 0.00 0.00 42.46 42.11 3kgw s ILE 242 CO 0.04 -0.33 0.15 -0.55 -1.91 0.00 0.00 174.94 172.33 3kgw s SER 243 N -1.17 -0.14 -0.06 4.50 0.15 -0.37 -1.21 113.70 115.41 3kgw s SER 243 Ca -0.13 0.31 0.05 0.00 0.70 0.00 0.00 55.95 56.89 3kgw s SER 243 Cb -0.07 0.24 -0.01 0.00 -1.71 0.00 0.00 66.02 64.48 3kgw s SER 243 CO 0.01 -0.11 -0.22 -0.36 1.20 0.00 0.00 173.24 173.76 3kgw s PHE 244 N 0.78 2.20 0.83 3.44 0.40 0.03 -1.85 117.98 123.81 3kgw s PHE 244 Ca -0.06 -0.71 -0.11 0.00 -0.60 0.00 0.00 56.93 55.45 3kgw s PHE 244 Cb -0.08 -1.46 0.13 0.00 0.51 0.00 0.00 43.02 42.12 3kgw s PHE 244 CO -0.04 -0.25 1.18 0.54 0.70 0.00 0.00 175.22 177.35 3kgw s ASN 245 N 0.04 4.02 0.35 1.36 2.20 -0.38 -4.22 114.94 118.31 3kgw s ASN 245 Ca -0.07 0.38 0.07 0.00 -0.94 0.00 0.00 52.86 52.29 3kgw s ASN 245 Cb -0.14 -0.72 0.66 0.00 -2.00 0.00 0.00 41.25 39.05 3kgw s ASN 245 CO 0.04 -2.15 1.87 0.44 -2.94 0.00 0.00 177.10 174.36 3kgw h ASP 246 N -1.12 0.35 -0.84 3.54 3.32 -1.98 -0.71 116.42 118.96 3kgw h ASP 246 Ca -0.44 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 56.55 3kgw h ASP 246 Cb 1.28 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 3kgw h ASP 246 CO 0.51 0.49 0.56 0.50 -1.72 0.00 0.00 179.24 179.58 3kgw h LYS 247 N 0.34 1.10 -0.49 3.56 1.63 -1.94 0.12 116.57 120.89 3kgw h LYS 247 Ca 0.07 -0.07 -0.13 0.00 -0.85 0.00 0.00 60.65 59.67 3kgw h LYS 247 Cb 0.41 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 3kgw h LYS 247 CO 0.02 0.72 -0.21 0.00 -3.45 0.00 0.00 179.45 176.53 3kgw h ALA 248 N 1.32 0.69 -0.86 5.00 0.00 -1.76 -2.44 119.26 121.20 3kgw h ALA 248 Ca 0.31 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3kgw h ALA 248 Cb -0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3kgw h ALA 248 CO -0.08 0.68 0.46 -0.22 0.00 0.00 0.00 179.25 180.09 3kgw h LYS 249 N 0.87 1.20 -0.88 0.00 3.64 -0.83 -1.97 116.57 118.60 3kgw h LYS 249 Ca 0.11 -0.14 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 3kgw h LYS 249 Cb 0.80 -0.23 -0.06 0.00 -0.41 0.00 0.00 32.23 32.33 3kgw h LYS 249 CO 0.07 0.88 0.56 -0.92 -2.27 0.00 0.00 179.45 177.77 3kgw h TYR 250 N 1.20 1.04 -0.54 1.91 3.20 -0.57 -0.71 116.97 122.51 3kgw h TYR 250 Ca 0.30 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.20 3kgw h TYR 250 Cb 0.04 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 37.94 3kgw h TYR 250 CO 0.01 0.56 0.34 -0.22 -1.64 0.00 0.00 178.16 177.21 3kgw h LYS 251 N 1.05 0.73 -0.45 1.82 1.63 -0.89 -1.37 116.57 119.09 3kgw h LYS 251 Ca 0.37 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 60.09 3kgw h LYS 251 Cb 0.09 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 3kgw h LYS 251 CO -0.15 0.51 0.21 0.28 -3.45 0.00 0.00 179.45 176.86 3kgw h VAL 252 N 0.73 1.18 0.00 2.00 2.07 -0.77 -2.76 116.25 118.70 3kgw h VAL 252 Ca 0.20 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3kgw h VAL 252 Cb -0.04 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3kgw h VAL 252 CO -0.04 0.20 0.00 1.88 0.02 0.00 0.00 177.57 179.63 3kgw h TYR 253 N 0.58 0.00 -0.00 1.57 -1.99 -0.86 -2.69 116.97 113.58 3kgw h TYR 253 Ca 0.15 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.88 3kgw h TYR 253 Cb 0.12 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.85 3kgw h TYR 253 CO -0.01 0.00 -0.07 0.43 -0.00 0.00 0.00 178.16 178.52 3kgw n SER 254 N -2.40 0.24 -4.75 3.88 7.64 -0.54 -4.97 113.62 112.73 3kgw n SER 254 Ca 0.03 -0.37 -0.38 0.00 1.01 0.00 0.00 58.87 59.16 3kgw n SER 254 Cb 0.29 -0.17 0.04 0.00 -1.01 0.00 0.00 64.21 63.37 3kgw n SER 254 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3kgw s ARG 255 N -2.53 3.03 0.12 1.43 0.52 -1.02 -4.95 118.95 115.55 3kgw s ARG 255 Ca 0.29 2.16 0.03 0.00 -0.52 0.00 0.00 55.73 57.69 3kgw s ARG 255 Cb 0.20 -2.16 -0.18 0.00 0.52 0.00 0.00 34.95 33.33 3kgw s ARG 255 CO 0.47 -1.25 1.26 0.87 0.02 0.00 0.00 175.30 176.68 3kgw h LYS 256 N 1.26 0.11 -5.30 3.54 1.57 -1.93 -3.47 116.57 112.36 3kgw h LYS 256 Ca -0.51 -0.17 -0.39 0.00 -1.87 0.00 0.00 60.65 57.71 3kgw h LYS 256 Cb 1.31 0.06 -0.16 0.00 0.08 0.00 0.00 32.23 33.52 3kgw h LYS 256 CO 0.56 1.05 -0.73 0.95 -0.57 0.00 0.00 179.45 180.71 3kgw s THR 257 N -2.80 1.35 0.55 -0.16 -4.23 -1.26 -5.14 115.64 103.94 3kgw s THR 257 Ca -0.01 -1.97 -0.20 0.00 -1.18 0.00 0.00 61.69 58.32 3kgw s THR 257 Cb 0.09 -1.77 -0.05 0.00 1.34 0.00 0.00 72.50 72.11 3kgw s THR 257 CO 0.84 -0.59 1.22 -0.54 -0.54 0.00 0.00 174.62 175.00 3kgw s LYS 258 N -3.33 3.24 0.78 3.99 1.02 -1.26 -5.01 119.74 119.17 3kgw s LYS 258 Ca 0.15 1.87 -0.12 0.00 0.02 0.00 0.00 55.97 57.89 3kgw s LYS 258 Cb -0.01 -2.12 0.07 0.00 -0.52 0.00 0.00 37.83 35.25 3kgw s LYS 258 CO 0.03 -1.00 1.14 -1.25 -0.92 0.00 0.00 175.35 173.34 3kgw s PRO 259 N -3.08 1.95 0.53 -1.68 0.04 -1.26 -4.92 135.00 126.57 3kgw s PRO 259 Ca 0.72 1.47 0.26 0.00 0.04 0.00 0.00 61.00 63.49 3kgw s PRO 259 Cb -0.31 -1.84 1.48 0.00 0.04 0.00 0.00 34.50 33.87 3kgw s PRO 259 CO 0.36 -1.92 2.11 -0.39 0.04 0.00 0.00 177.00 177.19 3kgw h VAL 260 N -0.95 0.64 -3.35 -0.36 -1.51 -1.95 -3.41 116.25 105.35 3kgw h VAL 260 Ca -0.45 -0.41 -0.65 0.00 -1.23 0.00 0.00 66.70 63.96 3kgw h VAL 260 Cb 1.26 1.25 -0.25 0.00 -2.13 0.00 0.00 31.29 31.42 3kgw h VAL 260 CO 0.48 0.10 -0.71 -0.55 -1.23 0.00 0.00 177.57 175.66 3kgw s SER 261 N -6.28 4.43 0.05 4.19 0.15 -1.26 -5.00 113.70 109.98 3kgw s SER 261 Ca -0.04 -0.27 -0.19 0.00 0.70 0.00 0.00 55.95 56.15 3kgw s SER 261 Cb 0.14 -1.72 -0.13 0.00 -1.71 0.00 0.00 66.02 62.60 3kgw s SER 261 CO 0.59 0.10 1.36 0.15 1.20 0.00 0.00 173.24 176.65 3kgw h PHE 262 N 7.18 0.52 -0.56 3.44 3.04 -1.97 -2.86 116.94 125.73 3kgw h PHE 262 Ca -0.33 -0.15 0.11 0.00 3.98 0.00 0.00 57.97 61.58 3kgw h PHE 262 Cb 1.19 -0.11 -0.11 0.00 2.56 0.00 0.00 35.95 39.48 3kgw h PHE 262 CO 0.54 0.80 -0.24 -0.92 -2.02 0.00 0.00 178.31 176.47 3kgw h TYR 263 N 0.09 -0.63 -0.62 0.41 3.20 -1.98 -2.59 116.97 114.85 3kgw h TYR 263 Ca 0.03 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3kgw h TYR 263 Cb 0.71 0.36 0.00 0.00 1.54 0.00 0.00 36.73 39.34 3kgw h TYR 263 CO 0.08 -0.33 0.00 0.25 -1.64 0.00 0.00 178.16 176.52 3kgw n THR 264 N -5.43 1.42 -2.08 1.81 -2.24 -1.25 -4.75 114.28 101.76 3kgw n THR 264 Ca 0.05 -1.13 -0.42 0.00 -2.27 0.00 0.00 64.05 60.28 3kgw n THR 264 Cb 0.34 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 3kgw n THR 264 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kgw s ASP 265 N -1.01 6.73 0.49 3.42 -1.08 -0.98 -4.85 116.67 119.39 3kgw s ASP 265 Ca 0.46 2.21 0.29 0.00 -0.52 0.00 0.00 52.55 54.99 3kgw s ASP 265 Cb 0.27 -2.55 1.09 0.00 -1.46 0.00 0.00 42.92 40.28 3kgw s ASP 265 CO 0.26 -0.84 1.89 -0.29 0.52 0.00 0.00 175.17 176.70 3kgw h ILE 266 N 5.21 0.25 -0.23 4.11 6.09 -1.90 -0.96 117.51 130.07 3kgw h ILE 266 Ca -0.39 -0.82 -0.09 0.00 -1.37 0.00 0.00 64.86 62.19 3kgw h ILE 266 Cb 1.18 1.66 -0.01 0.00 0.47 0.00 0.00 36.82 40.11 3kgw h ILE 266 CO 0.94 0.10 -0.26 0.71 -3.07 0.00 0.00 178.15 176.56 3kgw h THR 267 N 0.00 1.27 0.04 2.19 1.35 -1.96 0.18 112.91 115.97 3kgw h THR 267 Ca -0.00 -1.27 -0.08 0.00 -0.55 0.00 0.00 66.41 64.51 3kgw h THR 267 Cb 0.65 1.38 0.01 0.00 -1.73 0.00 0.00 68.15 68.46 3kgw h THR 267 CO 0.01 0.40 -0.32 1.88 -0.25 0.00 0.00 175.52 177.24 3kgw h TYR 268 N 0.39 0.25 -0.73 4.73 -1.99 -1.55 -3.28 116.97 114.79 3kgw h TYR 268 Ca 0.06 -0.16 0.03 0.00 2.00 0.00 0.00 58.73 60.65 3kgw h TYR 268 Cb 0.67 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 39.34 3kgw h TYR 268 CO 0.02 1.06 0.48 -0.07 -0.00 0.00 0.00 178.16 179.65 3kgw h LEU 269 N -0.63 0.78 -0.78 3.88 3.38 -1.19 -1.69 115.31 119.06 3kgw h LEU 269 Ca -0.05 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3kgw h LEU 269 Cb 1.18 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 3kgw h LEU 269 CO 0.06 0.54 0.51 0.00 0.09 0.00 0.00 178.44 179.65 3kgw h ALA 270 N 1.57 1.01 -0.15 1.53 0.00 -1.08 -1.07 119.26 121.07 3kgw h ALA 270 Ca 0.28 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3kgw h ALA 270 Cb 0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3kgw h ALA 270 CO -0.08 0.37 -0.20 0.87 0.00 0.00 0.00 179.25 180.21 3kgw h LYS 271 N 1.03 0.40 -0.58 0.00 1.57 -1.48 0.98 116.57 118.49 3kgw h LYS 271 Ca 0.30 -0.23 0.10 0.00 -1.87 0.00 0.00 60.65 58.95 3kgw h LYS 271 Cb -0.07 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.18 3kgw h LYS 271 CO -0.08 0.81 0.12 1.25 -0.57 0.00 0.00 179.45 180.98 3kgw h LEU 272 N 0.02 0.01 -0.61 2.94 5.85 -1.13 -2.16 115.31 120.23 3kgw h LEU 272 Ca 0.02 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3kgw h LEU 272 Cb 0.76 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3kgw h LEU 272 CO 0.05 0.02 0.00 0.79 -0.34 0.00 0.00 178.44 178.96 3kgw n TRP 273 N -5.12 0.15 -2.21 1.25 7.02 -0.42 -4.86 117.44 113.25 3kgw n TRP 273 Ca 0.08 -0.07 -0.11 0.00 -1.02 0.00 0.00 57.50 56.38 3kgw n TRP 273 Cb 0.30 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.18 3kgw n TRP 273 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3kgw n GLY 274 N 0.92 -0.08 0.27 6.99 0.00 -0.81 -4.93 105.19 107.55 3kgw n GLY 274 Ca 0.12 -0.43 0.14 0.00 0.00 0.00 0.00 46.02 45.85 3kgw n GLY 274 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgw n GLU 276 N -0.51 2.46 0.00 0.00 1.02 -1.26 -4.70 120.64 117.65 3kgw n GLU 276 Ca 0.15 -4.10 0.00 0.00 -0.02 0.00 0.00 57.16 53.19 3kgw n GLU 276 Cb 0.32 -1.91 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 3kgw n GLU 276 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kgw n GLY 277 N -0.22 -0.49 0.15 0.62 0.00 -1.26 -4.59 105.19 99.39 3kgw n GLY 277 Ca 0.28 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 3kgw n GLY 277 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3kgw h GLU 278 N 0.00 -0.26 -6.55 1.61 4.11 -1.99 -3.45 114.58 108.05 3kgw h GLU 278 Ca 0.00 0.02 -0.52 0.00 0.07 0.00 0.00 59.36 58.92 3kgw h GLU 278 Cb 0.00 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3kgw h GLU 278 CO 0.00 0.10 0.42 0.99 0.07 0.00 0.00 179.01 180.59 3kgw s THR 279 N -4.40 4.35 0.52 -1.06 2.01 -1.26 -4.99 115.64 110.80 3kgw s THR 279 Ca -0.14 1.88 0.01 0.00 0.31 0.00 0.00 61.69 63.75 3kgw s THR 279 Cb 0.02 -4.20 0.10 0.00 0.01 0.00 0.00 72.50 68.43 3kgw s THR 279 CO 0.56 0.25 0.72 0.54 -0.69 0.00 0.00 174.62 176.01 3kgw n ARG 280 N 3.04 0.20 -3.96 4.92 5.12 -1.26 -4.90 116.66 119.82 3kgw n ARG 280 Ca 0.04 -2.11 -0.10 0.00 -1.93 0.00 0.00 57.85 53.75 3kgw n ARG 280 Cb 0.48 -0.43 -0.12 0.00 -1.16 0.00 0.00 32.46 31.23 3kgw n ARG 280 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3kgw s VAL 281 N -2.15 0.10 0.01 1.55 1.01 -1.26 -4.94 120.40 114.72 3kgw s VAL 281 Ca 0.49 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 3kgw s VAL 281 Cb -0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 3kgw s VAL 281 CO 0.32 -0.37 1.04 -0.63 0.00 0.00 0.00 175.10 175.46 3kgw s ILE 282 N -1.08 4.65 0.00 2.22 1.09 -1.26 -4.43 121.20 122.39 3kgw s ILE 282 Ca -0.12 1.90 0.00 0.00 -1.10 0.00 0.00 60.65 61.33 3kgw s ILE 282 Cb -0.07 -4.22 0.00 0.00 -1.06 0.00 0.00 42.46 37.11 3kgw s ILE 282 CO -0.01 0.13 0.00 1.57 -0.10 0.00 0.00 174.94 176.54 3kgw n HIS 283 N 4.01 0.00 -4.03 3.97 -0.00 -1.26 -5.08 115.22 112.83 3kgw n HIS 283 Ca 0.07 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 58.01 3kgw n HIS 283 Cb 0.50 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.30 3kgw n HIS 283 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 3kgw s HIS 284 N 1.16 2.57 -0.35 1.57 -3.43 -1.26 -5.09 115.29 110.47 3kgw s HIS 284 Ca 0.00 -0.59 -0.25 0.00 -0.80 0.00 0.00 55.06 53.43 3kgw s HIS 284 Cb 0.00 -1.99 0.01 0.00 -1.43 0.00 0.00 32.58 29.17 3kgw s HIS 284 CO 0.00 0.10 0.86 0.99 -2.00 0.00 0.00 174.74 174.69 3kgw s THR 285 N -2.59 4.68 0.63 -5.38 2.01 -1.26 -5.03 115.64 108.70 3kgw s THR 285 Ca 0.42 1.14 -0.15 0.00 0.31 0.00 0.00 61.69 63.41 3kgw s THR 285 Cb 0.02 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.26 3kgw s THR 285 CO 0.23 -0.42 1.07 0.42 -0.69 0.00 0.00 174.62 175.23 3kgw s THR 286 N 3.23 3.64 -1.16 -0.82 -4.23 -1.26 -4.92 115.64 110.12 3kgw s THR 286 Ca 0.35 0.74 -0.20 0.00 -1.18 0.00 0.00 61.69 61.40 3kgw s THR 286 Cb -0.13 -3.28 0.07 0.00 1.34 0.00 0.00 72.50 70.50 3kgw s THR 286 CO 0.16 -0.49 1.57 -2.16 -0.54 0.00 0.00 174.62 173.17 3kgw s PRO 287 N -4.18 3.81 0.17 3.99 0.04 -1.26 -4.86 135.00 132.70 3kgw s PRO 287 Ca 0.64 -1.65 -0.17 0.00 0.04 0.00 0.00 61.00 59.86 3kgw s PRO 287 Cb -0.17 -5.41 0.10 0.00 0.04 0.00 0.00 34.50 29.06 3kgw s PRO 287 CO 0.40 -2.19 1.68 0.28 0.04 0.00 0.00 177.00 177.21 3kgw h VAL 288 N 6.05 0.63 -0.12 -0.36 2.07 -1.95 -0.90 116.25 121.66 3kgw h VAL 288 Ca 0.32 -0.01 -0.11 0.00 0.82 0.00 0.00 66.70 67.73 3kgw h VAL 288 Cb 0.94 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3kgw h VAL 288 CO 1.42 0.00 -0.41 0.71 0.02 0.00 0.00 177.57 179.32 3kgw h THR 289 N 0.03 1.31 -0.30 2.57 1.35 -1.95 -1.72 112.91 114.19 3kgw h THR 289 Ca 0.19 -1.52 -0.12 0.00 -0.55 0.00 0.00 66.41 64.41 3kgw h THR 289 Cb 0.29 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 3kgw h THR 289 CO -0.39 0.46 -0.30 -1.28 -0.25 0.00 0.00 175.52 173.76 3kgw h SER 290 N 0.23 0.64 -0.84 5.36 0.87 -1.77 -2.47 113.55 115.57 3kgw h SER 290 Ca 0.02 -0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.30 3kgw h SER 290 Cb 0.82 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.57 3kgw h SER 290 CO 0.06 0.90 0.39 -0.07 -0.53 0.00 0.00 176.83 177.59 3kgw h LEU 291 N 0.54 1.11 -0.44 2.23 3.38 -0.57 -0.89 115.31 120.68 3kgw h LEU 291 Ca 0.07 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3kgw h LEU 291 Cb 0.78 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 3kgw h LEU 291 CO 0.06 0.95 0.22 1.88 0.09 0.00 0.00 178.44 181.64 3kgw h TYR 292 N 1.21 0.40 -0.44 1.13 0.05 -1.03 -0.51 116.97 117.77 3kgw h TYR 292 Ca 0.29 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 59.06 3kgw h TYR 292 Cb 0.14 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 3kgw h TYR 292 CO 0.02 0.21 0.17 0.00 -1.05 0.00 0.00 178.16 177.50 3kgw h LEU 294 N 0.57 0.92 -0.57 0.00 5.85 -1.01 -0.67 115.31 120.40 3kgw h LEU 294 Ca 0.15 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.81 3kgw h LEU 294 Cb 0.21 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 3kgw h LEU 294 CO -0.01 0.78 0.25 -0.09 -0.34 0.00 0.00 178.44 179.03 3kgw h ARG 295 N 0.99 0.45 -0.62 1.25 1.12 -0.93 0.12 114.38 116.76 3kgw h ARG 295 Ca 0.25 -0.03 -0.09 0.00 -1.11 0.00 0.00 59.98 58.99 3kgw h ARG 295 Cb 0.10 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 29.94 3kgw h ARG 295 CO -0.03 0.30 0.02 0.93 -3.11 0.00 0.00 179.97 178.07 3kgw h GLU 296 N 0.46 1.08 -0.57 0.20 4.39 -1.02 -1.05 114.58 118.06 3kgw h GLU 296 Ca 0.27 -0.34 0.01 0.00 0.34 0.00 0.00 59.36 59.65 3kgw h GLU 296 Cb 0.27 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 3kgw h GLU 296 CO -0.24 1.04 0.37 1.03 -1.16 0.00 0.00 179.01 180.05 3kgw h SER 297 N 0.98 0.64 -0.45 1.42 0.87 -0.55 -1.37 113.55 115.09 3kgw h SER 297 Ca 0.18 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.62 3kgw h SER 297 Cb 0.54 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 3kgw h SER 297 CO 0.03 0.46 -0.10 -0.07 -0.53 0.00 0.00 176.83 176.62 3kgw h LEU 298 N 0.76 0.90 -0.81 2.23 3.38 -0.86 -2.76 115.31 118.14 3kgw h LEU 298 Ca 0.21 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.96 3kgw h LEU 298 Cb -0.07 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.38 3kgw h LEU 298 CO -0.05 1.02 0.50 0.00 0.09 0.00 0.00 178.44 179.99 3kgw h ALA 299 N 1.06 1.11 -0.49 1.53 0.00 -0.79 -1.08 119.26 120.60 3kgw h ALA 299 Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3kgw h ALA 299 Cb 0.62 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3kgw h ALA 299 CO 0.04 0.25 0.25 -0.07 0.00 0.00 0.00 179.25 179.71 3kgw h LEU 300 N 0.92 0.64 -0.55 0.00 3.38 -1.03 -0.56 115.31 118.12 3kgw h LEU 300 Ca 0.35 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 3kgw h LEU 300 Cb 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3kgw h LEU 300 CO -0.16 0.58 0.12 0.40 0.09 0.00 0.00 178.44 179.47 3kgw h ILE 301 N 0.66 1.25 -0.66 1.22 2.04 -1.27 -1.96 117.51 118.78 3kgw h ILE 301 Ca 0.17 -0.90 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 3kgw h ILE 301 Cb 0.10 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3kgw h ILE 301 CO -0.02 0.33 0.31 0.00 0.00 0.00 0.00 178.15 178.77 3kgw h ALA 302 N 1.01 1.30 -0.13 1.87 0.00 -0.97 0.21 119.26 122.56 3kgw h ALA 302 Ca 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3kgw h ALA 302 Cb 0.36 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kgw h ALA 302 CO 0.00 0.54 0.01 1.49 0.00 0.00 0.00 179.25 181.29 3kgw h GLU 303 N 0.94 0.21 -0.27 0.00 4.81 -0.90 -3.23 114.58 116.15 3kgw h GLU 303 Ca 0.23 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.21 3kgw h GLU 303 Cb 0.11 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3kgw h GLU 303 CO -0.03 0.44 -0.56 1.96 -0.73 0.00 0.00 179.01 180.09 3kgw h GLN 304 N -0.03 0.83 0.00 1.92 4.20 -1.23 -3.50 115.11 117.29 3kgw h GLN 304 Ca 0.04 -0.53 0.00 0.00 0.06 0.00 0.00 58.65 58.22 3kgw h GLN 304 Cb 0.33 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3kgw h GLN 304 CO 0.00 1.16 0.00 0.41 -0.67 0.00 0.00 178.83 179.74 3kgw n GLY 305 N 0.37 -0.77 0.37 3.46 0.00 0.72 -4.46 105.19 104.88 3kgw n GLY 305 Ca -0.04 -1.35 0.04 0.00 0.00 0.00 0.00 46.02 44.67 3kgw n GLY 305 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kgw h LEU 306 N 0.00 0.95 -0.44 0.99 3.38 -1.90 -1.67 115.31 116.62 3kgw h LEU 306 Ca 0.00 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kgw h LEU 306 Cb 0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3kgw h LEU 306 CO 0.00 0.61 0.27 -0.33 0.09 0.00 0.00 178.44 179.08 3kgw h GLU 307 N 1.08 0.59 -0.47 1.13 4.39 -1.96 0.93 114.58 120.28 3kgw h GLU 307 Ca 0.41 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.97 3kgw h GLU 307 Cb 0.21 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 3kgw h GLU 307 CO -0.16 0.43 -0.07 -0.91 -1.16 0.00 0.00 179.01 177.14 3kgw h ASN 308 N 0.59 0.80 -0.41 1.42 2.35 -1.70 -1.16 115.58 117.46 3kgw h ASN 308 Ca 0.16 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 3kgw h ASN 308 Cb -0.01 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3kgw h ASN 308 CO -0.03 0.91 0.17 0.00 -1.65 0.00 0.00 177.43 176.83 3kgw h TRP 310 N 0.52 1.12 -0.47 0.00 6.55 -0.63 -2.44 115.95 120.60 3kgw h TRP 310 Ca 0.14 -0.10 -0.05 0.00 0.95 0.00 0.00 58.89 59.82 3kgw h TRP 310 Cb 0.18 -0.33 -0.02 0.00 -0.86 0.00 0.00 29.16 28.14 3kgw h TRP 310 CO -0.00 0.88 0.08 -0.09 -1.05 0.00 0.00 178.44 178.26 3kgw h ARG 311 N 1.03 0.76 -0.52 0.49 2.43 -1.00 -2.38 114.38 115.20 3kgw h ARG 311 Ca 0.23 -0.20 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 3kgw h ARG 311 Cb 0.28 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3kgw h ARG 311 CO -0.01 0.77 0.05 0.07 -1.51 0.00 0.00 179.97 179.34 3kgw h ARG 312 N 0.63 0.83 -0.37 0.20 -0.00 -0.81 -0.46 114.38 114.41 3kgw h ARG 312 Ca 0.14 -0.21 -0.04 0.00 -0.00 0.00 0.00 59.98 59.87 3kgw h ARG 312 Cb 0.37 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.97 30.22 3kgw h ARG 312 CO 0.01 0.80 0.06 0.45 -0.00 0.00 0.00 179.97 181.29 3kgw h HIS 313 N 0.79 0.66 -0.52 4.08 3.86 -1.36 -1.02 115.15 121.64 3kgw h HIS 313 Ca 0.16 -0.09 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 3kgw h HIS 313 Cb 0.40 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.66 3kgw h HIS 313 CO 0.02 0.67 0.31 -0.09 0.86 0.00 0.00 177.93 179.70 3kgw h ARG 314 N 0.46 0.60 -0.31 2.45 1.12 -1.06 -0.33 114.38 117.31 3kgw h ARG 314 Ca 0.11 -0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 58.92 3kgw h ARG 314 Cb 0.36 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.17 3kgw h ARG 314 CO 0.01 0.40 0.09 1.49 -3.11 0.00 0.00 179.97 178.85 3kgw h GLU 315 N 0.62 0.50 -0.22 0.20 4.81 -0.98 -0.88 114.58 118.62 3kgw h GLU 315 Ca 0.21 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3kgw h GLU 315 Cb 0.02 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3kgw h GLU 315 CO -0.09 0.55 0.13 0.00 -0.73 0.00 0.00 179.01 178.86 3kgw h ALA 316 N 0.92 0.29 -0.72 2.92 0.00 -0.98 -2.44 119.26 119.25 3kgw h ALA 316 Ca 0.10 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3kgw h ALA 316 Cb 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3kgw h ALA 316 CO -0.00 -0.19 0.22 1.15 0.00 0.00 0.00 179.25 180.43 3kgw h THR 317 N 0.26 1.26 -0.89 0.00 2.02 -0.97 -1.23 112.91 113.35 3kgw h THR 317 Ca 0.08 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.36 3kgw h THR 317 Cb 0.06 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 3kgw h THR 317 CO -0.01 0.35 0.55 0.00 0.37 0.00 0.00 175.52 176.78 3kgw h ALA 318 N 1.16 1.28 -0.37 6.16 0.00 -1.00 0.14 119.26 126.63 3kgw h ALA 318 Ca 0.23 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3kgw h ALA 318 Cb 0.31 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3kgw h ALA 318 CO -0.01 0.62 -0.12 1.25 0.00 0.00 0.00 179.25 180.99 3kgw h HIS 319 N 1.23 0.85 -0.37 0.00 6.17 -1.00 -1.64 115.15 120.37 3kgw h HIS 319 Ca 0.32 -0.19 -0.01 0.00 0.71 0.00 0.00 60.37 61.20 3kgw h HIS 319 Cb -0.07 -0.20 -0.02 0.00 2.52 0.00 0.00 27.41 29.64 3kgw h HIS 319 CO 0.00 0.91 0.21 1.25 0.71 0.00 0.00 177.93 181.01 3kgw h LEU 320 N 0.54 0.47 -1.14 0.26 5.85 -0.80 -2.13 115.31 118.36 3kgw h LEU 320 Ca 0.09 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3kgw h LEU 320 Cb 0.65 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3kgw h LEU 320 CO 0.04 0.42 0.13 0.45 -0.34 0.00 0.00 178.44 179.14 3kgw h HIS 321 N 0.48 0.75 -0.13 1.25 3.86 -0.59 0.38 115.15 121.15 3kgw h HIS 321 Ca 0.13 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3kgw h HIS 321 Cb 0.05 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 3kgw h HIS 321 CO -0.03 0.63 0.07 -0.22 0.86 0.00 0.00 177.93 179.24 3kgw h LYS 322 N 0.72 0.19 -0.65 2.45 3.11 -1.08 -1.34 116.57 119.96 3kgw h LYS 322 Ca 0.16 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.98 3kgw h LYS 322 Cb 0.25 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.41 3kgw h LYS 322 CO -0.00 0.24 0.42 0.45 -2.81 0.00 0.00 179.45 177.74 3kgw h HIS 323 N 0.10 0.84 -0.66 1.91 -0.00 -0.87 -1.32 115.15 115.14 3kgw h HIS 323 Ca 0.05 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.43 3kgw h HIS 323 Cb 0.11 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.21 3kgw h HIS 323 CO -0.03 0.55 0.44 -0.07 -0.00 0.00 0.00 177.93 178.81 3kgw h LEU 324 N 0.88 0.76 -0.60 2.43 3.38 -0.81 -1.48 115.31 119.88 3kgw h LEU 324 Ca 0.24 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.08 3kgw h LEU 324 Cb -0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3kgw h LEU 324 CO -0.05 0.55 -0.05 -0.61 0.09 0.00 0.00 178.44 178.37 3kgw h GLN 325 N 0.90 1.06 -0.33 1.13 5.75 -1.06 -0.55 115.11 122.00 3kgw h GLN 325 Ca 0.24 -0.36 -0.07 0.00 -0.15 0.00 0.00 58.65 58.31 3kgw h GLN 325 Cb -0.10 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.35 3kgw h GLN 325 CO -0.05 1.06 -0.09 0.93 -2.65 0.00 0.00 178.83 178.02 3kgw h GLU 326 N 0.95 0.56 -0.11 1.69 5.08 -1.05 -2.28 114.58 119.42 3kgw h GLU 326 Ca 0.16 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kgw h GLU 326 Cb 0.62 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3kgw h GLU 326 CO 0.04 0.65 0.00 0.00 -1.00 0.00 0.00 179.01 178.70 3kgw n MET 327 N -4.21 1.52 -1.25 2.33 0.00 -0.58 -4.93 117.12 110.00 3kgw n MET 327 Ca 0.01 -0.78 -0.01 0.00 0.00 0.00 0.00 57.70 56.92 3kgw n MET 327 Cb 0.31 -1.38 -0.00 0.00 0.00 0.00 0.00 33.22 32.15 3kgw n MET 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3kgw n GLY 328 N 1.05 0.44 3.86 3.17 0.00 -0.86 -5.05 105.19 107.80 3kgw n GLY 328 Ca 0.16 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 3kgw n GLY 328 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kgw s LEU 329 N -0.29 4.02 0.07 0.99 1.43 -0.24 -5.03 118.68 119.64 3kgw s LEU 329 Ca 0.00 1.19 0.06 0.00 -1.03 0.00 0.00 54.13 54.35 3kgw s LEU 329 Cb 0.00 -4.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.17 3kgw s LEU 329 CO 0.00 -0.23 -0.07 -0.54 0.23 0.00 0.00 176.35 175.73 3kgw s LYS 330 N -3.17 2.32 0.05 1.70 -0.14 -1.26 -4.34 119.74 114.89 3kgw s LYS 330 Ca 0.53 -0.91 -0.24 0.00 -1.36 0.00 0.00 55.97 53.99 3kgw s LYS 330 Cb -0.10 -2.40 -0.06 0.00 -1.68 0.00 0.00 37.83 33.59 3kgw s LYS 330 CO 0.21 0.54 0.75 -0.06 -0.76 0.00 0.00 175.35 176.03 3kgw s PHE 331 N -1.17 3.74 0.18 3.18 0.08 -1.26 -0.84 117.98 121.90 3kgw s PHE 331 Ca 0.21 1.45 -0.10 0.00 0.12 0.00 0.00 56.93 58.61 3kgw s PHE 331 Cb -0.11 -2.79 0.08 0.00 -0.57 0.00 0.00 43.02 39.63 3kgw s PHE 331 CO 0.13 0.30 1.68 0.35 -0.10 0.00 0.00 175.22 177.58 3kgw h PHE 332 N 5.57 1.10 -3.54 0.36 3.57 -1.66 -3.41 116.94 118.94 3kgw h PHE 332 Ca -0.44 -0.14 -0.60 0.00 3.53 0.00 0.00 57.97 60.31 3kgw h PHE 332 Cb 1.20 -0.31 -0.10 0.00 2.79 0.00 0.00 35.95 39.54 3kgw h PHE 332 CO 0.65 0.93 0.53 0.08 -2.23 0.00 0.00 178.31 178.27 3kgw s VAL 333 N -5.25 4.60 0.20 1.41 1.01 -1.26 -4.92 120.40 116.20 3kgw s VAL 333 Ca -0.12 1.00 0.03 0.00 0.00 0.00 0.00 61.98 62.89 3kgw s VAL 333 Cb 0.14 -4.32 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 3kgw s VAL 333 CO 0.84 -0.57 1.47 0.11 0.00 0.00 0.00 175.10 176.95 3kgw h LYS 334 N 8.61 0.23 -5.97 2.72 1.79 -1.83 -3.41 116.57 118.71 3kgw h LYS 334 Ca -0.24 -0.20 -0.61 0.00 -2.18 0.00 0.00 60.65 57.42 3kgw h LYS 334 Cb 1.08 0.04 -0.12 0.00 -1.58 0.00 0.00 32.23 31.66 3kgw h LYS 334 CO 0.97 0.86 0.51 0.34 -1.08 0.00 0.00 179.45 181.05 3kgw s ASP 335 N -6.91 6.43 0.58 0.86 -1.08 -1.26 -4.93 116.67 110.35 3kgw s ASP 335 Ca -0.04 -0.07 0.28 0.00 -0.52 0.00 0.00 52.55 52.21 3kgw s ASP 335 Cb 0.11 -2.43 1.54 0.00 -1.46 0.00 0.00 42.92 40.69 3kgw s ASP 335 CO 0.81 -1.05 2.02 -0.65 0.52 0.00 0.00 175.17 176.82 3kgw h PRO 336 N 9.10 0.00 0.00 4.34 0.11 -2.00 -2.28 132.00 141.28 3kgw h PRO 336 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3kgw h PRO 336 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3kgw h PRO 336 CO 1.02 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.20 3kgw n GLU 337 N -3.91 0.20 -0.23 1.05 -0.58 -1.26 -2.62 120.64 113.30 3kgw n GLU 337 Ca 0.05 0.40 0.07 0.00 -0.42 0.00 0.00 57.16 57.27 3kgw n GLU 337 Cb 0.47 -1.87 0.17 0.00 -0.57 0.00 0.00 31.44 29.65 3kgw n GLU 337 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 3kgw n ILE 338 N -2.25 1.79 -2.61 -3.67 -5.35 -0.86 -4.96 119.36 101.46 3kgw n ILE 338 Ca 0.02 -1.75 -0.43 0.00 -0.27 0.00 0.00 62.75 60.32 3kgw n ILE 338 Cb 0.25 -0.03 -0.02 0.00 -1.74 0.00 0.00 39.64 38.10 3kgw n ILE 338 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3kgw s ARG 339 N -2.32 4.18 0.04 6.28 0.52 -1.08 -0.73 118.95 125.84 3kgw s ARG 339 Ca 0.30 1.31 -0.30 0.00 -0.52 0.00 0.00 55.73 56.52 3kgw s ARG 339 Cb 0.24 -3.69 -0.08 0.00 0.52 0.00 0.00 34.95 31.93 3kgw s ARG 339 CO 0.07 -0.74 1.87 -1.17 0.02 0.00 0.00 175.30 175.34 3kgw s LEU 340 N 3.42 4.40 0.40 2.53 2.96 -0.24 -4.65 118.68 127.50 3kgw s LEU 340 Ca 0.46 2.59 0.06 0.00 -0.22 0.00 0.00 54.13 57.03 3kgw s LEU 340 Cb -0.15 -3.54 0.82 0.00 0.50 0.00 0.00 46.19 43.82 3kgw s LEU 340 CO 0.11 -1.01 2.04 -0.65 -1.32 0.00 0.00 176.35 175.51 3kgw h PRO 341 N 9.93 0.60 0.10 0.98 0.11 -1.91 -3.20 132.00 138.61 3kgw h PRO 341 Ca -0.47 -0.04 -0.26 0.00 0.11 0.00 0.00 66.00 65.35 3kgw h PRO 341 Cb 1.22 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3kgw h PRO 341 CO 0.94 0.40 -1.18 1.79 -0.21 0.00 0.00 178.00 179.74 3kgw h THR 342 N 0.62 1.51 -3.25 -1.15 1.35 -1.85 -3.43 112.91 106.71 3kgw h THR 342 Ca 0.18 -3.03 -0.48 0.00 -0.55 0.00 0.00 66.41 62.54 3kgw h THR 342 Cb -0.01 2.88 -0.39 0.00 -1.73 0.00 0.00 68.15 68.90 3kgw h THR 342 CO -0.04 0.88 -0.77 -0.63 -0.25 0.00 0.00 175.52 174.71 3kgw s ILE 343 N -2.73 0.51 -0.20 6.82 1.01 -1.21 -0.72 121.20 124.68 3kgw s ILE 343 Ca -0.04 -0.16 -0.09 0.00 0.00 0.00 0.00 60.65 60.36 3kgw s ILE 343 Cb 0.08 -0.77 -0.05 0.00 0.01 0.00 0.00 42.46 41.73 3kgw s ILE 343 CO 0.87 0.11 0.11 -0.89 0.00 0.00 0.00 174.94 175.14 3kgw s THR 344 N 1.90 5.12 -0.24 2.92 2.01 -0.21 -4.46 115.64 122.67 3kgw s THR 344 Ca 0.03 0.09 -0.15 0.00 0.31 0.00 0.00 61.69 61.97 3kgw s THR 344 Cb -0.14 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 3kgw s THR 344 CO -0.07 0.43 0.36 0.42 -0.69 0.00 0.00 174.62 175.08 3kgw s THR 345 N 0.53 5.20 -0.17 -0.82 -4.23 -1.26 -1.74 115.64 113.15 3kgw s THR 345 Ca 0.06 0.59 -0.02 0.00 -1.18 0.00 0.00 61.69 61.14 3kgw s THR 345 Cb -0.12 -3.69 -0.01 0.00 1.34 0.00 0.00 72.50 70.02 3kgw s THR 345 CO 0.00 0.21 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.51 3kgw s VAL 346 N 1.66 3.15 0.24 2.29 1.01 0.05 -1.77 120.40 127.03 3kgw s VAL 346 Ca 0.16 -0.60 -0.31 0.00 0.00 0.00 0.00 61.98 61.23 3kgw s VAL 346 Cb -0.15 -2.37 -0.11 0.00 0.00 0.00 0.00 36.38 33.75 3kgw s VAL 346 CO 0.08 0.49 1.60 -0.89 0.00 0.00 0.00 175.10 176.39 3kgw s THR 347 N 0.80 2.23 0.20 3.92 2.01 -0.02 -0.31 115.64 124.48 3kgw s THR 347 Ca -0.04 0.18 -0.33 0.00 0.31 0.00 0.00 61.69 61.82 3kgw s THR 347 Cb -0.15 -3.12 -0.13 0.00 0.01 0.00 0.00 72.50 69.11 3kgw s THR 347 CO 0.01 0.02 1.61 0.52 -0.69 0.00 0.00 174.62 176.09 3kgw n VAL 348 N 3.02 0.20 -1.99 3.82 0.31 -0.73 -4.55 118.33 118.42 3kgw n VAL 348 Ca 0.11 -0.05 -0.41 0.00 -0.01 0.00 0.00 64.34 63.98 3kgw n VAL 348 Cb 0.37 -1.73 -0.02 0.00 -0.91 0.00 0.00 33.84 31.56 3kgw n VAL 348 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3kgw s PRO 349 N 0.72 4.26 0.27 5.55 0.04 -1.26 -4.93 135.00 139.64 3kgw s PRO 349 Ca 0.75 2.33 -0.31 0.00 0.04 0.00 0.00 61.00 63.82 3kgw s PRO 349 Cb -0.60 -3.08 -0.12 0.00 0.04 0.00 0.00 34.50 30.74 3kgw s PRO 349 CO 0.38 -0.41 1.64 0.00 0.04 0.00 0.00 177.00 178.66 3kgw s ALA 350 N -0.30 3.82 0.00 8.56 0.00 -1.26 -2.85 121.76 129.72 3kgw s ALA 350 Ca 0.57 1.59 0.00 0.00 0.00 0.00 0.00 51.96 54.12 3kgw s ALA 350 Cb -0.42 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.03 3kgw s ALA 350 CO 0.47 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.66 3kgw n GLY 351 N 2.74 3.44 3.93 0.00 0.00 -1.26 -4.91 105.19 109.13 3kgw n GLY 351 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 3kgw n GLY 351 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kgw s TYR 352 N -2.77 3.43 -0.31 1.61 2.02 -1.13 -0.17 117.35 120.03 3kgw s TYR 352 Ca 0.00 0.06 -0.21 0.00 -0.37 0.00 0.00 57.07 56.55 3kgw s TYR 352 Cb 0.00 -1.62 -0.01 0.00 -0.40 0.00 0.00 41.96 39.94 3kgw s TYR 352 CO 0.00 0.50 0.65 1.21 -1.57 0.00 0.00 175.55 176.34 3kgw s ASN 353 N -3.45 6.51 0.47 2.29 3.84 -1.26 -4.90 114.94 118.44 3kgw s ASN 353 Ca 0.34 0.42 0.17 0.00 0.21 0.00 0.00 52.86 53.99 3kgw s ASN 353 Cb -0.10 -2.34 1.15 0.00 -0.55 0.00 0.00 41.25 39.41 3kgw s ASN 353 CO 0.28 -0.52 2.02 4.11 -2.79 0.00 0.00 177.10 180.20 3kgw h TRP 354 N 8.22 0.25 -0.07 0.43 5.08 -1.94 -1.32 115.95 126.61 3kgw h TRP 354 Ca -0.26 0.01 -0.05 0.00 1.08 0.00 0.00 58.89 59.66 3kgw h TRP 354 Cb 1.11 -0.08 -0.01 0.00 -3.00 0.00 0.00 29.16 27.18 3kgw h TRP 354 CO 0.76 0.13 -0.21 0.00 -1.28 0.00 0.00 178.44 177.83 3kgw h ARG 355 N 0.24 0.11 -0.51 0.12 3.08 -1.99 -1.72 114.38 113.71 3kgw h ARG 355 Ca 0.22 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.14 3kgw h ARG 355 Cb 0.54 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3kgw h ARG 355 CO -0.04 0.32 -0.06 -0.44 -1.07 0.00 0.00 179.97 178.68 3kgw h ASP 356 N 0.10 0.93 0.02 7.04 3.32 -1.66 -0.96 116.42 125.21 3kgw h ASP 356 Ca 0.02 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 3kgw h ASP 356 Cb 0.43 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3kgw h ASP 356 CO 0.03 1.05 -0.01 0.40 -1.72 0.00 0.00 179.24 178.99 3kgw h ILE 357 N 0.80 1.11 -0.17 0.35 2.04 -1.35 -0.66 117.51 119.62 3kgw h ILE 357 Ca 0.14 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.62 3kgw h ILE 357 Cb 0.61 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 3kgw h ILE 357 CO 0.04 0.10 0.08 0.58 0.00 0.00 0.00 178.15 178.95 3kgw h VAL 358 N -0.19 1.00 -0.75 1.67 2.07 -1.32 -1.78 116.25 116.95 3kgw h VAL 358 Ca -0.00 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 3kgw h VAL 358 Cb 0.18 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3kgw h VAL 358 CO 0.00 0.03 0.33 0.28 0.02 0.00 0.00 177.57 178.24 3kgw h SER 359 N 0.18 0.99 -0.36 0.57 0.02 -1.13 -1.88 113.55 111.95 3kgw h SER 359 Ca 0.07 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 3kgw h SER 359 Cb 0.01 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 3kgw h SER 359 CO -0.05 0.86 0.13 0.22 -1.14 0.00 0.00 176.83 176.85 3kgw h TYR 360 N 1.07 0.56 -0.60 3.45 5.03 -0.86 0.13 116.97 125.75 3kgw h TYR 360 Ca 0.26 -0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.50 3kgw h TYR 360 Cb 0.15 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.24 3kgw h TYR 360 CO 0.01 0.53 0.33 0.28 -1.32 0.00 0.00 178.16 177.99 3kgw h VAL 361 N 0.43 1.19 0.23 1.81 2.07 -1.16 -0.96 116.25 119.86 3kgw h VAL 361 Ca 0.12 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 3kgw h VAL 361 Cb 0.22 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3kgw h VAL 361 CO -0.01 0.21 -0.11 0.25 0.02 0.00 0.00 177.57 177.94 3kgw h LEU 362 N 0.81 -0.26 -0.18 2.57 5.85 -1.15 -2.07 115.31 120.88 3kgw h LEU 362 Ca 0.21 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 3kgw h LEU 362 Cb 0.05 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 3kgw h LEU 362 CO -0.03 -0.09 -0.26 0.44 -0.34 0.00 0.00 178.44 178.16 3kgw h ASP 363 N -0.41 0.54 0.95 1.25 3.32 -0.62 -1.20 116.42 120.24 3kgw h ASP 363 Ca -0.03 -0.52 -0.05 0.00 0.02 0.00 0.00 57.03 56.45 3kgw h ASP 363 Cb 0.32 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3kgw h ASP 363 CO 0.05 0.95 -1.09 0.45 -1.72 0.00 0.00 179.24 177.89 3kgw h HIS 364 N 0.14 0.00 0.00 4.55 3.86 -1.31 -3.40 115.15 118.99 3kgw h HIS 364 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3kgw h HIS 364 Cb 0.84 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.31 3kgw h HIS 364 CO 0.09 0.18 0.00 1.19 0.86 0.00 0.00 177.93 180.25 3kgw n PHE 365 N -2.77 0.00 -3.91 2.45 3.01 -0.80 -5.03 117.46 110.41 3kgw n PHE 365 Ca -0.03 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.13 3kgw n PHE 365 Cb 0.64 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.14 3kgw n PHE 365 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3kgw n SER 366 N -0.33 -4.45 -4.30 4.37 7.64 -0.45 -4.91 113.62 111.19 3kgw n SER 366 Ca 0.00 -0.79 -0.32 0.00 1.01 0.00 0.00 58.87 58.77 3kgw n SER 366 Cb 0.03 -3.85 -0.16 0.00 -1.01 0.00 0.00 64.21 59.23 3kgw n SER 366 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3kgw s ILE 367 N -3.34 2.42 -0.24 0.44 1.01 -1.18 -1.78 121.20 118.54 3kgw s ILE 367 Ca 0.61 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 60.20 3kgw s ILE 367 Cb -0.31 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 3kgw s ILE 367 CO 0.83 0.56 0.38 -1.61 0.00 0.00 0.00 174.94 175.10 3kgw s GLU 368 N 0.08 4.09 0.44 2.79 2.02 0.12 -2.79 118.70 125.45 3kgw s GLU 368 Ca -0.09 0.12 0.03 0.00 0.02 0.00 0.00 54.97 55.04 3kgw s GLU 368 Cb -0.15 -3.60 -0.03 0.00 0.10 0.00 0.00 34.13 30.45 3kgw s GLU 368 CO 0.06 -0.16 0.06 0.96 0.02 0.00 0.00 175.26 176.20 3kgw s ILE 369 N 1.70 1.02 0.29 -1.63 -4.36 -1.26 -0.48 121.20 116.47 3kgw s ILE 369 Ca 0.17 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.58 3kgw s ILE 369 Cb -0.15 -2.40 -0.04 0.00 1.25 0.00 0.00 42.46 41.12 3kgw s ILE 369 CO 0.09 0.00 0.15 -0.94 0.24 0.00 0.00 174.94 174.47 3kgw s SER 370 N -3.70 1.35 0.00 4.36 1.04 -0.88 -4.85 113.70 111.02 3kgw s SER 370 Ca 0.20 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 55.11 3kgw s SER 370 Cb 0.04 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.50 3kgw s SER 370 CO 0.11 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.08 3kgw n GLY 371 N -0.53 1.32 0.69 7.32 0.00 -1.26 -0.36 105.19 112.37 3kgw n GLY 371 Ca 0.01 -1.69 -0.04 0.00 0.00 0.00 0.00 46.02 44.30 3kgw n GLY 371 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgw n GLY 372 N 5.00 0.56 3.36 -0.02 0.00 -1.11 -3.66 105.19 109.31 3kgw n GLY 372 Ca 0.00 -1.94 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 3kgw n GLY 372 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kgw s LEU 373 N 0.00 0.06 0.00 0.99 2.96 -1.26 -4.59 118.68 116.84 3kgw s LEU 373 Ca 0.12 0.96 0.00 0.00 -0.22 0.00 0.00 54.13 54.99 3kgw s LEU 373 Cb -0.01 1.58 0.00 0.00 0.50 0.00 0.00 46.19 48.27 3kgw s LEU 373 CO 0.08 -0.18 0.00 0.61 -1.32 0.00 0.00 176.35 175.54 3kgw n GLY 374 N 3.30 3.64 0.27 7.98 0.00 -1.26 -1.79 105.19 117.33 3kgw n GLY 374 Ca -0.16 0.22 0.18 0.00 0.00 0.00 0.00 46.02 46.26 3kgw n GLY 374 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kgw h PRO 375 N 0.00 0.00 -0.44 1.61 0.13 -1.94 -2.01 132.00 129.34 3kgw h PRO 375 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3kgw h PRO 375 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3kgw h PRO 375 CO 0.00 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.02 3kgw n THR 376 N -2.96 0.58 -1.72 1.56 -2.24 -0.74 -4.91 114.28 103.86 3kgw n THR 376 Ca -0.00 -0.68 -0.43 0.00 -2.27 0.00 0.00 64.05 60.67 3kgw n THR 376 Cb 0.23 0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 3kgw n THR 376 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3kgw n GLU 377 N 1.10 2.54 -0.37 -0.78 2.13 -0.76 -1.48 120.64 123.02 3kgw n GLU 377 Ca 0.19 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.91 3kgw n GLU 377 Cb 0.49 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.52 3kgw n GLU 377 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3kgw n GLU 378 N 2.66 0.00 -0.04 5.31 -0.58 -1.26 -4.80 120.64 121.93 3kgw n GLU 378 Ca 0.12 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.86 3kgw n GLU 378 Cb 0.35 -2.89 -0.13 0.00 -0.57 0.00 0.00 31.44 28.19 3kgw n GLU 378 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3kgw n ARG 379 N -2.00 0.92 -4.20 3.49 1.74 -0.55 -4.91 116.66 111.14 3kgw n ARG 379 Ca 0.00 -0.09 -0.12 0.00 -0.77 0.00 0.00 57.85 56.87 3kgw n ARG 379 Cb 0.00 -1.42 -0.10 0.00 -1.02 0.00 0.00 32.46 29.92 3kgw n ARG 379 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3kgw s VAL 380 N -2.83 0.14 0.02 1.55 -7.23 -1.18 -1.77 120.40 109.10 3kgw s VAL 380 Ca -0.07 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 58.15 3kgw s VAL 380 Cb 0.08 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 3kgw s VAL 380 CO 0.70 -0.19 0.01 -0.76 -0.31 0.00 0.00 175.10 174.55 3kgw s LEU 381 N -3.14 3.52 -0.11 1.32 1.43 0.58 -2.77 118.68 119.51 3kgw s LEU 381 Ca 0.33 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.43 3kgw s LEU 381 Cb 0.07 -2.07 -0.00 0.00 0.03 0.00 0.00 46.19 44.22 3kgw s LEU 381 CO 0.08 0.26 -0.23 -0.13 0.23 0.00 0.00 176.35 176.56 3kgw s ARG 382 N -1.71 3.08 -0.17 1.70 0.52 0.51 -0.77 118.95 122.11 3kgw s ARG 382 Ca 0.21 -0.86 0.01 0.00 -0.52 0.00 0.00 55.73 54.57 3kgw s ARG 382 Cb -0.12 -2.35 0.02 0.00 0.52 0.00 0.00 34.95 33.02 3kgw s ARG 382 CO 0.12 0.16 -0.20 0.42 0.02 0.00 0.00 175.30 175.82 3kgw s ILE 383 N 0.40 2.04 -0.13 1.52 1.01 -0.71 -2.07 121.20 123.26 3kgw s ILE 383 Ca -0.17 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.51 3kgw s ILE 383 Cb -0.17 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 3kgw s ILE 383 CO 0.07 0.54 0.01 -0.83 0.00 0.00 0.00 174.94 174.73 3kgw s GLY 384 N 1.22 1.85 -0.47 6.18 0.00 0.51 -1.05 107.32 115.55 3kgw s GLY 384 Ca 0.03 -0.79 0.03 0.00 0.00 0.00 0.00 44.72 44.00 3kgw s GLY 384 CO -0.11 -0.29 0.22 1.08 0.00 0.00 0.00 173.10 174.00 3kgw s LEU 385 N -0.30 3.79 -0.24 0.66 1.43 0.10 -4.36 118.68 119.76 3kgw s LEU 385 Ca 0.07 -2.74 0.01 0.00 -1.03 0.00 0.00 54.13 50.44 3kgw s LEU 385 Cb -0.12 -1.43 0.05 0.00 0.03 0.00 0.00 46.19 44.72 3kgw s LEU 385 CO 0.02 -0.27 -0.11 -0.76 0.23 0.00 0.00 176.35 175.46 3kgw s LEU 386 N 0.12 3.16 0.00 1.79 1.43 -1.26 -4.56 118.68 119.35 3kgw s LEU 386 Ca 0.16 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.12 3kgw s LEU 386 Cb -0.24 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.41 3kgw s LEU 386 CO -0.02 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.03 3kgw n GLY 387 N 4.53 3.47 0.47 -3.19 0.00 -1.24 -1.47 105.19 107.74 3kgw n GLY 387 Ca -0.16 0.24 0.29 0.00 0.00 0.00 0.00 46.02 46.39 3kgw n GLY 387 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3kgw h TYR 388 N 0.00 0.30 -0.00 1.61 3.20 -1.90 -0.48 116.97 119.70 3kgw h TYR 388 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3kgw h TYR 388 Cb 0.00 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.18 3kgw h TYR 388 CO 0.00 0.02 -0.03 0.09 -1.64 0.00 0.00 178.16 176.61 3kgw n ASN 389 N -4.40 0.06 -4.31 -2.11 3.02 -0.54 -4.60 115.26 102.37 3kgw n ASN 389 Ca 0.25 -0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.36 3kgw n ASN 389 Cb 1.05 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.91 3kgw n ASN 389 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kgw n ALA 390 N -1.32 4.25 -2.63 5.41 0.00 -0.19 -4.53 120.51 121.50 3kgw n ALA 390 Ca 0.12 -4.15 -0.18 0.00 0.00 0.00 0.00 53.44 49.22 3kgw n ALA 390 Cb 0.28 -3.19 -0.12 0.00 0.00 0.00 0.00 19.45 16.42 3kgw n ALA 390 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3kgw s THR 391 N 1.97 1.18 0.36 0.00 -4.23 -1.26 -4.74 115.64 108.91 3kgw s THR 391 Ca 0.45 -1.44 0.10 0.00 -1.18 0.00 0.00 61.69 59.62 3kgw s THR 391 Cb 0.02 -1.22 0.10 0.00 1.34 0.00 0.00 72.50 72.74 3kgw s THR 391 CO 0.01 -0.29 1.82 0.71 -0.54 0.00 0.00 174.62 176.34 3kgw h THR 392 N 4.05 1.25 -0.33 3.99 1.35 -1.90 -2.34 112.91 118.97 3kgw h THR 392 Ca -0.41 -1.17 -0.00 0.00 -0.55 0.00 0.00 66.41 64.28 3kgw h THR 392 Cb 1.19 1.54 -0.02 0.00 -1.73 0.00 0.00 68.15 69.13 3kgw h THR 392 CO 0.43 0.35 0.19 -0.33 -0.25 0.00 0.00 175.52 175.92 3kgw h GLU 393 N 0.12 0.45 -0.79 4.72 3.07 -1.96 -0.39 114.58 119.80 3kgw h GLU 393 Ca 0.02 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 3kgw h GLU 393 Cb 0.61 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.39 3kgw h GLU 393 CO 0.04 0.35 0.32 -0.91 -1.40 0.00 0.00 179.01 177.42 3kgw h ASN 394 N 0.42 1.07 -0.46 1.42 2.35 -1.81 -2.09 115.58 116.49 3kgw h ASN 394 Ca 0.12 -0.16 0.04 0.00 -0.55 0.00 0.00 56.30 55.75 3kgw h ASN 394 Cb 0.02 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.07 3kgw h ASN 394 CO -0.02 0.94 0.23 0.58 -1.65 0.00 0.00 177.43 177.51 3kgw h VAL 395 N 1.14 0.97 -0.87 2.81 2.07 -1.14 -0.94 116.25 120.29 3kgw h VAL 395 Ca 0.26 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.66 3kgw h VAL 395 Cb 0.20 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 3kgw h VAL 395 CO -0.02 0.08 0.56 0.44 0.02 0.00 0.00 177.57 178.65 3kgw h ASP 396 N 0.46 0.94 -0.08 0.57 3.32 -0.79 0.89 116.42 121.73 3kgw h ASP 396 Ca 0.20 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 3kgw h ASP 396 Cb 0.10 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 3kgw h ASP 396 CO -0.14 0.65 0.04 0.03 -1.72 0.00 0.00 179.24 178.10 3kgw h ARG 397 N 1.10 0.11 -0.14 3.56 3.08 -0.92 -2.01 114.38 119.16 3kgw h ARG 397 Ca 0.34 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.25 3kgw h ARG 397 Cb -0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3kgw h ARG 397 CO -0.11 0.17 -0.46 -0.24 -1.07 0.00 0.00 179.97 178.26 3kgw h VAL 398 N 0.02 1.32 -0.58 2.04 3.04 -0.85 -1.91 116.25 119.33 3kgw h VAL 398 Ca 0.03 -1.65 0.00 0.00 -1.01 0.00 0.00 66.70 64.07 3kgw h VAL 398 Cb 0.10 1.72 -0.03 0.00 -2.01 0.00 0.00 31.29 31.07 3kgw h VAL 398 CO -0.00 0.50 0.37 0.00 -1.01 0.00 0.00 177.57 177.43 3kgw h ALA 399 N 1.22 0.74 -0.38 3.17 0.00 -0.81 -0.47 119.26 122.73 3kgw h ALA 399 Ca 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3kgw h ALA 399 Cb 0.92 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3kgw h ALA 399 CO 0.08 0.19 0.17 1.49 0.00 0.00 0.00 179.25 181.18 3kgw h GLU 400 N 0.79 0.56 -0.71 0.00 4.81 -1.21 -0.85 114.58 117.97 3kgw h GLU 400 Ca 0.21 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3kgw h GLU 400 Cb -0.06 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.18 3kgw h GLU 400 CO -0.04 0.52 0.46 0.00 -0.73 0.00 0.00 179.01 179.21 3kgw h ALA 401 N 1.02 0.91 -0.33 2.92 0.00 -1.08 -1.94 119.26 120.75 3kgw h ALA 401 Ca 0.13 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3kgw h ALA 401 Cb 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3kgw h ALA 401 CO -0.01 0.27 -0.18 -0.07 0.00 0.00 0.00 179.25 179.25 3kgw h LEU 402 N 0.91 0.73 -0.58 0.00 3.38 -0.90 -0.86 115.31 118.00 3kgw h LEU 402 Ca 0.27 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.86 3kgw h LEU 402 Cb -0.05 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 3kgw h LEU 402 CO -0.08 0.99 0.33 0.03 0.09 0.00 0.00 178.44 179.80 3kgw h ARG 403 N 0.48 0.63 -0.54 1.13 3.08 -1.00 -0.55 114.38 117.60 3kgw h ARG 403 Ca 0.07 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 3kgw h ARG 403 Cb 0.73 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 3kgw h ARG 403 CO 0.05 0.41 -0.02 1.49 -1.07 0.00 0.00 179.97 180.84 3kgw h GLU 404 N 0.64 0.96 -0.70 0.04 4.81 -1.24 -2.17 114.58 116.92 3kgw h GLU 404 Ca 0.24 -0.32 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3kgw h GLU 404 Cb 0.08 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 3kgw h GLU 404 CO -0.13 0.98 0.46 0.00 -0.73 0.00 0.00 179.01 179.59 3kgw h ALA 405 N 0.95 0.90 -0.64 2.92 0.00 -0.80 -1.65 119.26 120.93 3kgw h ALA 405 Ca 0.15 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3kgw h ALA 405 Cb 0.56 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3kgw h ALA 405 CO 0.03 0.27 0.17 -0.07 0.00 0.00 0.00 179.25 179.65 3kgw h LEU 406 N 0.91 0.93 -0.37 0.00 3.38 -0.88 0.21 115.31 119.50 3kgw h LEU 406 Ca 0.27 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3kgw h LEU 406 Cb -0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3kgw h LEU 406 CO -0.08 0.89 -0.30 0.06 0.09 0.00 0.00 178.44 179.11 3kgw h GLN 407 N 0.96 0.00 0.00 1.13 3.07 -1.11 -3.39 115.11 115.77 3kgw h GLN 407 Ca 0.21 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.74 3kgw h GLN 407 Cb 0.32 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.84 3kgw h GLN 407 CO -0.00 0.30 -1.76 0.72 0.09 0.00 0.00 178.83 178.17 3kgw n HIS 408 N -3.24 0.00 -1.95 0.06 8.25 -0.65 -5.02 115.22 112.67 3kgw n HIS 408 Ca 0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.08 3kgw n HIS 408 Cb 0.59 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.16 3kgw n HIS 408 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kgw n PRO 410 N 0.07 2.43 -4.41 0.00 -0.02 -1.26 -4.93 135.00 126.87 3kgw n PRO 410 Ca 0.04 0.88 -0.30 0.00 -2.02 0.00 0.00 63.50 62.10 3kgw n PRO 410 Cb 0.42 -2.69 -0.12 0.00 -0.02 0.00 0.00 33.50 31.10 3kgw n PRO 410 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3kgw s LYS 411 N 1.39 1.92 0.00 -0.52 0.00 -1.26 -4.32 119.74 116.95 3kgw s LYS 411 Ca 0.79 -1.09 0.04 0.00 0.00 0.00 0.00 55.97 55.71 3kgw s LYS 411 Cb -0.60 -2.16 0.03 0.00 0.00 0.00 0.00 37.83 35.10 3kgw s LYS 411 CO 0.37 0.50 0.63 0.09 0.00 0.00 0.00 175.35 176.94