#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgw n GLY 24 N 0.00 6.75 0.06 3.03 0.00 -1.26 -5.08 105.19 108.70 3kgw n GLY 24 Ca 0.00 -2.05 0.13 0.00 0.00 0.00 0.00 46.02 44.10 3kgw n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kgw n SER 25 N -0.30 0.44 -4.38 1.61 3.41 -1.26 -4.92 113.62 108.22 3kgw n SER 25 Ca 0.00 -0.25 -0.19 0.00 -0.26 0.00 0.00 58.87 58.17 3kgw n SER 25 Cb 0.00 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 63.82 3kgw n SER 25 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3kgw s TYR 26 N -2.79 1.75 0.08 7.33 2.02 -1.26 -5.15 117.35 119.33 3kgw s TYR 26 Ca 0.18 -0.92 -0.13 0.00 -0.37 0.00 0.00 57.07 55.84 3kgw s TYR 26 Cb 0.19 -1.06 -0.06 0.00 -0.40 0.00 0.00 41.96 40.63 3kgw s TYR 26 CO 0.57 -0.00 0.46 -0.65 -1.57 0.00 0.00 175.55 174.36 3kgw s GLN 27 N -3.87 3.88 -0.04 -0.62 -1.52 -1.26 -4.89 119.66 111.34 3kgw s GLN 27 Ca 0.32 0.34 -0.30 0.00 -1.95 0.00 0.00 55.36 53.77 3kgw s GLN 27 Cb 0.07 -3.03 -0.05 0.00 -0.22 0.00 0.00 33.01 29.77 3kgw s GLN 27 CO 0.12 0.56 1.52 -0.51 -0.25 0.00 0.00 175.29 176.73 3kgw s LEU 28 N -1.73 4.31 -0.01 2.90 1.43 -1.26 -4.91 118.68 119.41 3kgw s LEU 28 Ca 0.33 2.15 0.12 0.00 -1.03 0.00 0.00 54.13 55.70 3kgw s LEU 28 Cb -0.15 -3.55 -0.16 0.00 0.03 0.00 0.00 46.19 42.36 3kgw s LEU 28 CO 0.18 -0.84 0.41 0.18 0.23 0.00 0.00 176.35 176.51 3kgw n LEU 29 N 6.35 0.31 -4.60 1.79 4.77 -1.26 -4.93 117.00 119.43 3kgw n LEU 29 Ca 0.15 -0.27 -0.39 0.00 -0.03 0.00 0.00 56.01 55.47 3kgw n LEU 29 Cb 0.43 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 3kgw n LEU 29 CO 0.60 0.08 0.01 -0.69 -1.33 0.00 0.00 177.39 176.06 3kgw s VAL 30 N -2.48 5.20 0.60 4.08 1.01 -1.26 -5.08 120.40 122.47 3kgw s VAL 30 Ca 0.00 0.48 -0.10 0.00 0.00 0.00 0.00 61.98 62.36 3kgw s VAL 30 Cb 0.09 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 3kgw s VAL 30 CO 0.51 0.18 0.99 -2.16 0.00 0.00 0.00 175.10 174.62 3kgw s PRO 31 N 2.00 3.49 0.24 2.72 0.04 -1.26 -5.02 135.00 137.21 3kgw s PRO 31 Ca 0.13 0.60 -0.30 0.00 0.04 0.00 0.00 61.00 61.47 3kgw s PRO 31 Cb -0.16 -2.13 -0.11 0.00 0.04 0.00 0.00 34.50 32.15 3kgw s PRO 31 CO 0.10 -0.56 1.54 -2.14 0.04 0.00 0.00 177.00 175.97 3kgw s PRO 32 N -5.12 4.20 -0.06 0.56 0.02 -1.26 -4.92 135.00 128.42 3kgw s PRO 32 Ca 0.54 2.42 -0.30 0.00 0.02 0.00 0.00 61.00 63.68 3kgw s PRO 32 Cb -0.11 -3.09 -0.05 0.00 0.02 0.00 0.00 34.50 31.28 3kgw s PRO 32 CO 0.52 -0.55 1.48 -2.14 -0.33 0.00 0.00 177.00 175.98 3kgw s PRO 33 N 0.04 4.22 0.42 5.54 0.02 -1.26 -4.91 135.00 139.07 3kgw s PRO 33 Ca 0.64 1.99 0.12 0.00 0.02 0.00 0.00 61.00 63.77 3kgw s PRO 33 Cb -0.45 -3.79 0.89 0.00 0.02 0.00 0.00 34.50 31.17 3kgw s PRO 33 CO 0.41 -0.73 1.96 0.93 -0.33 0.00 0.00 177.00 179.24 3kgw h GLU 34 N 8.65 0.13 -0.61 5.54 4.39 -2.04 -2.85 114.58 127.79 3kgw h GLU 34 Ca -0.36 -0.03 0.11 0.00 0.34 0.00 0.00 59.36 59.43 3kgw h GLU 34 Cb 1.16 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.75 3kgw h GLU 34 CO 0.94 0.28 0.41 0.00 -1.16 0.00 0.00 179.01 179.48 3kgw h ALA 35 N 1.73 2.10 0.00 3.43 0.00 -1.99 -2.17 119.26 122.36 3kgw h ALA 35 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kgw h ALA 35 Cb 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kgw h ALA 35 CO 0.02 -0.25 0.00 -0.07 0.00 0.00 0.00 179.25 178.95 3kgw h LEU 36 N 0.34 0.00 -0.99 0.00 3.38 -1.92 -3.10 115.31 113.02 3kgw h LEU 36 Ca 0.28 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 3kgw h LEU 36 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3kgw h LEU 36 CO -0.07 0.00 -0.27 0.77 0.09 0.00 0.00 178.44 178.96 3kgw h SER 37 N 0.00 0.00 -3.59 -0.43 4.64 -1.57 -3.44 113.55 109.15 3kgw h SER 37 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 3kgw h SER 37 Cb 0.40 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.52 3kgw h SER 37 CO 0.00 0.27 0.61 -0.54 -0.87 0.00 0.00 176.83 176.30 3kgw s LYS 38 N -3.60 4.43 0.28 4.77 -0.14 -1.17 -4.96 119.74 119.35 3kgw s LYS 38 Ca 0.01 2.04 -0.30 0.00 -1.36 0.00 0.00 55.97 56.36 3kgw s LYS 38 Cb 0.10 -3.17 -0.13 0.00 -1.68 0.00 0.00 37.83 32.96 3kgw s LYS 38 CO 0.65 -0.14 1.35 -2.30 -0.76 0.00 0.00 175.35 174.15 3kgw n PRO 39 N 1.90 2.06 -2.69 -1.68 -0.02 -1.26 -4.94 135.00 128.37 3kgw n PRO 39 Ca 0.03 0.73 -0.43 0.00 -2.02 0.00 0.00 63.50 61.81 3kgw n PRO 39 Cb 0.43 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 3kgw n PRO 39 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kgw s LEU 40 N -0.35 4.15 0.05 2.45 2.96 -1.26 -5.03 118.68 121.65 3kgw s LEU 40 Ca 0.62 1.41 0.00 0.00 -0.22 0.00 0.00 54.13 55.95 3kgw s LEU 40 Cb -0.61 -3.52 -0.03 0.00 0.50 0.00 0.00 46.19 42.52 3kgw s LEU 40 CO 0.55 -0.58 -0.05 -0.94 -1.32 0.00 0.00 176.35 174.01 3kgw s SER 41 N 1.17 0.65 0.06 3.68 1.04 -1.26 -5.17 113.70 113.86 3kgw s SER 41 Ca 0.45 -0.81 0.05 0.00 0.48 0.00 0.00 55.95 56.12 3kgw s SER 41 Cb -0.16 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 3kgw s SER 41 CO 0.10 -0.43 -0.14 0.68 0.98 0.00 0.00 173.24 174.43 3kgw s VAL 42 N -2.86 1.10 0.73 5.02 -7.23 -1.26 -5.15 120.40 110.76 3kgw s VAL 42 Ca 0.00 -1.17 -0.12 0.00 -1.81 0.00 0.00 61.98 58.88 3kgw s VAL 42 Cb 0.00 -1.04 0.04 0.00 0.56 0.00 0.00 36.38 35.94 3kgw s VAL 42 CO -0.05 -0.13 1.09 -2.16 -0.31 0.00 0.00 175.10 173.54 3kgw s PRO 43 N -1.48 2.49 -0.47 4.82 0.04 -1.26 -4.99 135.00 134.15 3kgw s PRO 43 Ca -0.01 1.19 -0.19 0.00 0.04 0.00 0.00 61.00 62.03 3kgw s PRO 43 Cb -0.09 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.57 3kgw s PRO 43 CO 0.02 -1.47 0.60 0.99 0.04 0.00 0.00 177.00 177.18 3kgw s THR 44 N -2.79 4.90 0.10 1.26 2.01 -1.26 -5.03 115.64 114.82 3kgw s THR 44 Ca 0.62 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.40 3kgw s THR 44 Cb -0.17 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.08 3kgw s THR 44 CO 0.52 -0.67 -0.11 -0.13 -0.69 0.00 0.00 174.62 173.54 3kgw s ARG 45 N 2.61 0.87 -0.28 4.92 0.52 -1.26 -4.96 118.95 121.37 3kgw s ARG 45 Ca 0.17 -1.14 -0.18 0.00 -0.52 0.00 0.00 55.73 54.07 3kgw s ARG 45 Cb -0.17 -0.65 -0.02 0.00 0.52 0.00 0.00 34.95 34.63 3kgw s ARG 45 CO 0.15 0.11 0.51 -1.17 0.02 0.00 0.00 175.30 174.92 3kgw s LEU 46 N -2.32 4.09 -0.71 2.53 2.96 -0.48 -4.99 118.68 119.77 3kgw s LEU 46 Ca 0.05 0.43 -0.17 0.00 -0.22 0.00 0.00 54.13 54.22 3kgw s LEU 46 Cb -0.05 -2.65 0.15 0.00 0.50 0.00 0.00 46.19 44.14 3kgw s LEU 46 CO 0.01 -0.32 0.75 -0.76 -1.32 0.00 0.00 176.35 174.71 3kgw s LEU 47 N 2.33 5.92 -0.33 -0.68 1.43 -1.26 -0.62 118.68 125.47 3kgw s LEU 47 Ca 0.21 -1.99 0.07 0.00 -1.03 0.00 0.00 54.13 51.39 3kgw s LEU 47 Cb -0.16 -2.27 0.48 0.00 0.03 0.00 0.00 46.19 44.28 3kgw s LEU 47 CO 0.10 -0.89 1.44 0.18 0.23 0.00 0.00 176.35 177.41 3kgw n LEU 48 N 5.42 4.58 0.00 1.79 4.77 0.20 -4.35 117.00 129.41 3kgw n LEU 48 Ca 0.02 -4.08 -0.06 0.00 -0.03 0.00 0.00 56.01 51.86 3kgw n LEU 48 Cb 0.44 -0.60 0.04 0.00 -2.33 0.00 0.00 43.42 40.97 3kgw n LEU 48 CO 0.48 1.50 0.16 0.61 -1.33 0.00 0.00 177.39 178.82 3kgw n GLY 49 N -1.01 0.45 0.00 -0.72 0.00 -0.84 -0.74 105.19 102.33 3kgw n GLY 49 Ca 0.38 -1.93 0.05 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.54 0.20 0.00 1.61 -0.04 -1.26 -2.89 135.00 131.08 3kgw n PRO 50 Ca 0.04 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 3kgw n PRO 50 Cb 0.16 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 -0.33 4.54 3.82 0.55 0.00 -1.26 -4.94 105.19 107.57 3kgw n GLY 51 Ca 0.06 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.39 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 -3.44 3.13 0.46 1.61 0.04 -1.26 -5.10 135.00 130.45 3kgw s PRO 52 Ca 0.00 0.98 0.02 0.00 0.04 0.00 0.00 61.00 62.04 3kgw s PRO 52 Cb 0.00 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.53 3kgw s PRO 52 CO 0.00 -0.94 0.67 -1.54 0.04 0.00 0.00 177.00 175.22 3kgw s SER 53 N -3.60 5.68 0.61 6.66 1.04 -0.68 -4.76 113.70 118.64 3kgw s SER 53 Ca 0.59 0.09 -0.18 0.00 0.48 0.00 0.00 55.95 56.93 3kgw s SER 53 Cb -0.14 -1.24 -0.03 0.00 0.10 0.00 0.00 66.02 64.71 3kgw s SER 53 CO 0.50 -0.80 1.18 0.20 0.98 0.00 0.00 173.24 175.30 3kgw s ASN 54 N -4.28 5.14 0.17 7.02 -0.87 -1.26 -4.86 114.94 115.99 3kgw s ASN 54 Ca 0.51 2.30 -0.25 0.00 -1.57 0.00 0.00 52.86 53.85 3kgw s ASN 54 Cb -0.10 -2.59 -0.08 0.00 -0.02 0.00 0.00 41.25 38.46 3kgw s ASN 54 CO 0.37 -1.62 0.77 -0.76 -2.57 0.00 0.00 177.10 173.29 3kgw s LEU 55 N -4.27 4.58 0.52 0.60 1.43 -1.26 -4.68 118.68 115.61 3kgw s LEU 55 Ca 0.75 1.63 -0.22 0.00 -1.03 0.00 0.00 54.13 55.26 3kgw s LEU 55 Cb -0.28 -3.30 -0.06 0.00 0.03 0.00 0.00 46.19 42.59 3kgw s LEU 55 CO 0.35 0.20 1.32 0.00 0.23 0.00 0.00 176.35 178.45 3kgw s ALA 56 N -1.17 2.88 0.23 4.21 0.00 -1.19 -4.73 121.76 122.00 3kgw s ALA 56 Ca 0.36 1.25 -0.10 0.00 0.00 0.00 0.00 51.96 53.47 3kgw s ALA 56 Cb -0.23 -3.52 0.35 0.00 0.00 0.00 0.00 23.12 19.72 3kgw s ALA 56 CO 0.26 -1.19 1.62 -1.35 0.00 0.00 0.00 175.76 175.10 3kgw h PRO 57 N 1.65 0.05 0.00 0.00 0.11 -1.96 0.44 132.00 132.29 3kgw h PRO 57 Ca -0.50 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3kgw h PRO 57 Cb 1.29 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 3kgw h PRO 57 CO 0.58 0.03 -0.14 0.00 -0.21 0.00 0.00 178.00 178.26 3kgw h ARG 58 N 0.05 0.00 -0.05 1.05 3.08 -1.97 -1.98 114.38 114.55 3kgw h ARG 58 Ca 0.37 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.26 3kgw h ARG 58 Cb 0.62 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.68 3kgw h ARG 58 CO -0.69 0.14 -0.61 0.28 -1.07 0.00 0.00 179.97 178.03 3kgw h VAL 59 N 0.00 1.38 -0.45 2.04 2.07 -1.33 -1.68 116.25 118.28 3kgw h VAL 59 Ca -0.00 -1.98 0.07 0.00 0.82 0.00 0.00 66.70 65.62 3kgw h VAL 59 Cb 0.25 2.37 -0.06 0.00 -1.52 0.00 0.00 31.29 32.33 3kgw h VAL 59 CO 0.02 0.59 0.09 -0.07 0.02 0.00 0.00 177.57 178.22 3kgw h LEU 60 N 0.07 0.00 -1.17 2.57 3.38 -0.89 -2.46 115.31 116.80 3kgw h LEU 60 Ca -0.06 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3kgw h LEU 60 Cb 1.28 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 3kgw h LEU 60 CO 0.12 0.03 0.17 0.00 0.09 0.00 0.00 178.44 178.86 3kgw h ALA 61 N 1.35 1.34 0.00 1.53 0.00 -1.34 -2.38 119.26 119.76 3kgw h ALA 61 Ca 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3kgw h ALA 61 Cb 0.29 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kgw h ALA 61 CO -0.29 0.48 -0.12 0.00 0.00 0.00 0.00 179.25 179.32 3kgw h ALA 62 N 1.45 1.29 0.00 0.00 0.00 -0.83 -2.69 119.26 118.48 3kgw h ALA 62 Ca 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3kgw h ALA 62 Cb 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kgw h ALA 62 CO -0.01 0.15 -0.03 0.78 0.00 0.00 0.00 179.25 180.14 3kgw h GLY 63 N 0.85 0.00 -1.98 0.00 0.00 -1.19 -2.49 103.07 98.26 3kgw h GLY 63 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kgw h GLY 63 CO 0.02 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.00 3kgw n SER 64 N -3.95 3.07 -4.75 0.19 7.64 -1.01 -5.00 113.62 109.81 3kgw n SER 64 Ca -0.03 -1.94 -0.37 0.00 1.01 0.00 0.00 58.87 57.55 3kgw n SER 64 Cb 0.11 -0.19 0.04 0.00 -1.01 0.00 0.00 64.21 63.17 3kgw n SER 64 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3kgw s LEU 65 N -1.58 3.68 0.78 -3.43 1.43 -0.94 -4.99 118.68 113.64 3kgw s LEU 65 Ca 0.36 2.50 -0.11 0.00 -1.03 0.00 0.00 54.13 55.86 3kgw s LEU 65 Cb 0.22 -4.55 0.06 0.00 0.03 0.00 0.00 46.19 41.95 3kgw s LEU 65 CO 0.31 -1.68 1.09 -0.13 0.23 0.00 0.00 176.35 176.16 3kgw s ARG 66 N -3.26 2.17 0.37 1.70 0.52 -1.26 -5.02 118.95 114.17 3kgw s ARG 66 Ca 0.78 1.16 -0.21 0.00 -0.52 0.00 0.00 55.73 56.94 3kgw s ARG 66 Cb -0.34 -1.89 -0.10 0.00 0.52 0.00 0.00 34.95 33.14 3kgw s ARG 66 CO 0.37 -1.70 0.89 -1.64 0.02 0.00 0.00 175.30 173.24 3kgw s MET 67 N -4.90 4.25 0.10 3.54 -1.94 -1.26 -5.02 119.30 114.07 3kgw s MET 67 Ca 0.61 1.05 -0.00 0.00 -1.71 0.00 0.00 55.69 55.64 3kgw s MET 67 Cb -0.17 -2.39 -0.04 0.00 2.01 0.00 0.00 34.83 34.23 3kgw s MET 67 CO 0.56 0.09 0.00 0.96 -0.01 0.00 0.00 175.02 176.63 3kgw s ILE 68 N -1.99 0.31 0.28 2.53 -4.36 -1.26 -5.13 121.20 111.57 3kgw s ILE 68 Ca 0.57 -1.89 -0.30 0.00 -0.26 0.00 0.00 60.65 58.77 3kgw s ILE 68 Cb -0.12 -1.82 -0.11 0.00 1.25 0.00 0.00 42.46 41.66 3kgw s ILE 68 CO 0.16 -0.71 1.51 -0.83 0.24 0.00 0.00 174.94 175.31 3kgw s GLY 69 N -3.02 2.27 0.60 6.27 0.00 -1.26 -4.89 107.32 107.29 3kgw s GLY 69 Ca 0.16 1.44 0.30 0.00 0.00 0.00 0.00 44.72 46.63 3kgw s GLY 69 CO -0.03 2.39 2.13 1.12 0.00 0.00 0.00 173.10 178.71 3kgw h HIS 70 N 4.83 0.00 -0.24 1.90 2.07 -2.00 -2.34 115.15 119.37 3kgw h HIS 70 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 3kgw h HIS 70 Cb 1.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 3kgw h HIS 70 CO 0.59 0.00 0.00 -0.12 -3.07 0.00 0.00 177.93 175.33 3kgw n MET 71 N -3.68 2.79 -1.81 5.12 0.00 -1.26 -4.62 117.12 113.66 3kgw n MET 71 Ca 0.00 -2.21 -0.33 0.00 -0.00 0.00 0.00 57.70 55.17 3kgw n MET 71 Cb 0.28 -1.39 0.04 0.00 0.00 0.00 0.00 33.22 32.14 3kgw n MET 71 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 3kgw s GLN 72 N -1.62 2.96 0.32 2.12 -1.52 -0.88 -4.77 119.66 116.26 3kgw s GLN 72 Ca 0.25 1.27 0.09 0.00 -1.95 0.00 0.00 55.36 55.01 3kgw s GLN 72 Cb 0.17 -1.98 0.88 0.00 -0.22 0.00 0.00 33.01 31.86 3kgw s GLN 72 CO 0.10 -1.10 1.71 1.57 -0.25 0.00 0.00 175.29 177.32 3kgw h LYS 73 N 0.03 0.47 -0.50 2.91 2.10 -1.95 -0.67 116.57 118.96 3kgw h LYS 73 Ca -0.46 -0.03 -0.09 0.00 -2.00 0.00 0.00 60.65 58.07 3kgw h LYS 73 Cb 1.23 -0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 32.44 3kgw h LYS 73 CO 0.55 0.31 -0.04 0.93 -2.00 0.00 0.00 179.45 179.20 3kgw h GLU 74 N 0.49 0.88 -0.27 0.07 3.07 -1.93 -1.50 114.58 115.39 3kgw h GLU 74 Ca 0.64 -0.27 -0.18 0.00 -0.50 0.00 0.00 59.36 59.04 3kgw h GLU 74 Cb 1.26 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 3kgw h GLU 74 CO -0.51 0.90 -0.55 1.98 -1.40 0.00 0.00 179.01 179.43 3kgw h MET 75 N 0.80 0.85 -0.65 2.33 4.05 -1.42 -1.98 114.93 118.90 3kgw h MET 75 Ca 0.14 -0.55 0.00 0.00 -0.28 0.00 0.00 59.70 59.01 3kgw h MET 75 Cb 0.54 0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.38 3kgw h MET 75 CO 0.03 1.18 0.41 -0.07 0.23 0.00 0.00 176.91 178.70 3kgw h LEU 76 N 0.62 0.76 -0.27 3.39 3.38 -1.14 0.33 115.31 122.37 3kgw h LEU 76 Ca 0.01 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3kgw h LEU 76 Cb 1.16 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3kgw h LEU 76 CO 0.12 0.57 -0.05 -0.61 0.09 0.00 0.00 178.44 178.56 3kgw h GLN 77 N 0.89 0.52 -0.75 1.13 5.75 -1.17 -1.36 115.11 120.11 3kgw h GLN 77 Ca 0.24 -0.19 0.05 0.00 -0.15 0.00 0.00 58.65 58.60 3kgw h GLN 77 Cb -0.07 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.39 3kgw h GLN 77 CO -0.05 0.71 0.45 0.82 -2.65 0.00 0.00 178.83 178.12 3kgw h ILE 78 N 0.28 1.05 -0.74 2.39 2.04 -0.83 -0.73 117.51 120.95 3kgw h ILE 78 Ca 0.07 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 3kgw h ILE 78 Cb 0.51 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 3kgw h ILE 78 CO 0.02 0.16 0.29 0.24 0.00 0.00 0.00 178.15 178.86 3kgw h MET 79 N 0.86 1.11 -0.62 2.37 2.86 -0.81 0.20 114.93 120.89 3kgw h MET 79 Ca 0.32 -0.21 -0.08 0.00 -2.06 0.00 0.00 59.70 57.67 3kgw h MET 79 Cb 0.11 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3kgw h MET 79 CO -0.15 0.92 0.08 1.49 1.06 0.00 0.00 176.91 180.30 3kgw h GLU 80 N 1.07 1.05 -0.70 1.72 4.57 -0.61 -0.16 114.58 121.52 3kgw h GLU 80 Ca 0.25 -0.29 -0.07 0.00 -1.18 0.00 0.00 59.36 58.07 3kgw h GLU 80 Cb 0.22 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 3kgw h GLU 80 CO -0.02 0.99 0.18 0.93 -1.18 0.00 0.00 179.01 179.91 3kgw h GLU 81 N 0.96 1.11 -0.35 1.92 5.08 -0.75 -2.05 114.58 120.51 3kgw h GLU 81 Ca 0.19 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3kgw h GLU 81 Cb 0.46 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3kgw h GLU 81 CO 0.02 0.97 0.15 0.82 -1.00 0.00 0.00 179.01 179.97 3kgw h ILE 82 N 1.06 1.18 -0.61 3.13 2.04 -0.69 -0.79 117.51 122.83 3kgw h ILE 82 Ca 0.22 -0.55 0.04 0.00 1.00 0.00 0.00 64.86 65.57 3kgw h ILE 82 Cb 0.35 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 3kgw h ILE 82 CO -0.00 0.20 0.35 0.11 0.00 0.00 0.00 178.15 178.81 3kgw h LYS 83 N 0.42 0.66 -0.89 2.37 1.57 -0.81 0.57 116.57 120.46 3kgw h LYS 83 Ca 0.12 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3kgw h LYS 83 Cb 0.17 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 3kgw h LYS 83 CO -0.01 0.44 0.52 1.96 -0.57 0.00 0.00 179.45 181.79 3kgw h GLN 84 N 0.68 1.23 -0.74 3.15 4.20 -1.21 -0.29 115.11 122.12 3kgw h GLN 84 Ca 0.26 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 3kgw h GLN 84 Cb 0.09 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 3kgw h GLN 84 CO -0.13 0.87 0.28 0.78 -0.67 0.00 0.00 178.83 179.96 3kgw h GLY 85 N 1.24 1.20 0.93 3.46 0.00 -0.35 -1.23 103.07 108.32 3kgw h GLY 85 Ca 0.32 -0.67 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 3kgw h GLY 85 CO -0.06 0.63 0.00 -2.22 0.00 0.00 0.00 176.54 174.89 3kgw h ILE 86 N 1.08 1.26 -0.89 2.60 2.04 -0.48 -1.02 117.51 122.09 3kgw h ILE 86 Ca 0.25 -0.99 0.04 0.00 1.00 0.00 0.00 64.86 65.16 3kgw h ILE 86 Cb 0.23 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 3kgw h ILE 86 CO -0.02 0.33 0.57 1.56 0.00 0.00 0.00 178.15 180.59 3kgw h GLN 87 N 0.48 1.06 0.31 2.37 4.20 -0.83 -0.61 115.11 122.08 3kgw h GLN 87 Ca 0.11 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3kgw h GLN 87 Cb 0.46 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3kgw h GLN 87 CO 0.02 0.70 -0.15 -0.92 -0.67 0.00 0.00 178.83 177.81 3kgw h TYR 88 N 1.09 -0.38 -0.30 2.96 3.20 -0.98 -0.07 116.97 122.49 3kgw h TYR 88 Ca 0.36 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.11 3kgw h TYR 88 Cb 0.05 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3kgw h TYR 88 CO -0.02 -0.16 -0.28 0.28 -1.64 0.00 0.00 178.16 176.34 3kgw h VAL 89 N -0.53 1.28 0.00 1.81 2.07 -0.99 -2.72 116.25 117.16 3kgw h VAL 89 Ca -0.04 -1.38 -0.08 0.00 0.82 0.00 0.00 66.70 66.01 3kgw h VAL 89 Cb 0.40 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3kgw h VAL 89 CO 0.07 0.45 -0.40 -0.26 0.02 0.00 0.00 177.57 177.45 3kgw h PHE 90 N 0.54 0.00 -5.02 1.57 -1.00 -1.20 -3.45 116.94 108.38 3kgw h PHE 90 Ca 0.07 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.63 3kgw h PHE 90 Cb 0.76 0.00 0.16 0.00 3.61 0.00 0.00 35.95 40.48 3kgw h PHE 90 CO 0.03 0.40 -0.69 1.04 -1.61 0.00 0.00 178.31 177.48 3kgw n GLN 91 N -3.33 -2.67 -4.11 1.51 1.13 -0.20 -1.42 117.38 108.29 3kgw n GLN 91 Ca 0.01 0.71 -0.15 0.00 -1.94 0.00 0.00 57.00 55.63 3kgw n GLN 91 Cb 0.61 -5.12 -0.12 0.00 0.11 0.00 0.00 30.24 25.72 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 -3.32 0.76 -2.70 5.09 -1.32 -0.29 -2.95 115.64 110.92 3kgw s THR 92 Ca 0.29 -1.14 0.23 0.00 -1.21 0.00 0.00 61.69 59.87 3kgw s THR 92 Cb -0.04 -0.78 0.28 0.00 -1.51 0.00 0.00 72.50 70.45 3kgw s THR 92 CO 0.61 -0.30 1.29 0.54 -2.21 0.00 0.00 174.62 174.55 3kgw n ARG 93 N 1.45 2.32 -1.67 7.08 5.12 -1.26 -4.60 116.66 125.10 3kgw n ARG 93 Ca -0.22 -2.04 -0.50 0.00 -1.93 0.00 0.00 57.85 53.16 3kgw n ARG 93 Cb 0.55 -1.47 -0.05 0.00 -1.16 0.00 0.00 32.46 30.32 3kgw n ARG 93 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3kgw n ASN 94 N 1.37 3.16 0.21 0.55 3.02 -1.26 -4.88 115.26 117.43 3kgw n ASN 94 Ca 0.16 0.93 0.05 0.00 -0.03 0.00 0.00 54.58 55.68 3kgw n ASN 94 Cb 0.59 -1.33 0.47 0.00 -0.61 0.00 0.00 39.78 38.90 3kgw n ASN 94 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3kgw h PRO 95 N 9.30 0.00 -4.77 3.52 0.13 -1.92 -3.32 132.00 134.94 3kgw h PRO 95 Ca -0.46 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 63.94 3kgw h PRO 95 Cb 1.28 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.27 3kgw h PRO 95 CO 0.96 0.24 1.79 -0.11 -0.23 0.00 0.00 178.00 180.64 3kgw n LEU 96 N -4.21 5.49 -3.84 1.56 0.00 -1.26 -4.71 117.00 110.03 3kgw n LEU 96 Ca -0.02 -4.34 -0.20 0.00 0.00 0.00 0.00 56.01 51.45 3kgw n LEU 96 Cb 0.29 -1.63 -0.17 0.00 0.00 0.00 0.00 43.42 41.92 3kgw n LEU 96 CO 0.37 0.72 -0.39 -0.89 0.00 0.00 0.00 177.39 177.20 3kgw s THR 97 N 2.11 0.36 0.27 1.96 2.01 -1.25 -1.05 115.64 120.05 3kgw s THR 97 Ca 0.45 0.01 -0.20 0.00 0.31 0.00 0.00 61.69 62.27 3kgw s THR 97 Cb 0.02 -0.44 0.05 0.00 0.01 0.00 0.00 72.50 72.14 3kgw s THR 97 CO 0.02 0.20 0.87 -1.48 -0.69 0.00 0.00 174.62 173.54 3kgw s LEU 98 N 1.20 -0.08 -0.13 4.42 0.05 -0.45 -4.87 118.68 118.82 3kgw s LEU 98 Ca -0.07 -0.79 -0.06 0.00 0.05 0.00 0.00 54.13 53.26 3kgw s LEU 98 Cb -0.14 2.51 -0.04 0.00 -2.05 0.00 0.00 46.19 46.48 3kgw s LEU 98 CO -0.02 -1.31 0.10 -0.69 -0.55 0.00 0.00 176.35 173.88 3kgw s VAL 99 N -2.77 5.14 -0.18 1.48 1.01 -1.26 -1.28 120.40 122.55 3kgw s VAL 99 Ca 0.16 0.07 -0.08 0.00 0.00 0.00 0.00 61.98 62.13 3kgw s VAL 99 Cb -0.04 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 3kgw s VAL 99 CO 0.07 0.58 0.07 -0.69 0.00 0.00 0.00 175.10 175.14 3kgw s VAL 100 N -0.71 4.91 -1.33 2.92 1.01 -0.31 -4.97 120.40 121.92 3kgw s VAL 100 Ca 0.13 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 3kgw s VAL 100 Cb -0.12 -3.21 0.13 0.00 0.00 0.00 0.00 36.38 33.19 3kgw s VAL 100 CO 0.03 0.47 2.09 -1.20 0.00 0.00 0.00 175.10 176.49 3kgw n SER 101 N 3.37 5.87 -3.64 3.32 7.64 -1.26 -1.30 113.62 127.61 3kgw n SER 101 Ca -0.17 -3.07 0.00 0.00 1.01 0.00 0.00 58.87 56.65 3kgw n SER 101 Cb 0.52 -1.47 -0.01 0.00 -1.01 0.00 0.00 64.21 62.25 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 1.01 -0.38 1.15 0.23 0.00 -0.93 -4.96 107.32 103.44 3kgw s GLY 102 Ca 0.45 0.64 -0.19 0.00 0.00 0.00 0.00 44.72 45.62 3kgw s GLY 102 CO -0.03 0.12 1.12 -1.14 0.00 0.00 0.00 173.10 173.17 3kgw n SER 103 N -0.47 -1.61 -0.35 1.64 3.41 -1.22 -1.84 113.62 113.18 3kgw n SER 103 Ca -0.08 -1.22 0.25 0.00 -0.26 0.00 0.00 58.87 57.56 3kgw n SER 103 Cb 0.62 -0.99 0.50 0.00 -0.26 0.00 0.00 64.21 64.09 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 -2.47 1.78 0.97 5.00 0.00 -1.86 0.77 103.07 107.26 3kgw h GLY 104 Ca -0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 3kgw h GLY 104 CO 0.27 -0.39 0.23 0.45 0.00 0.00 0.00 176.54 177.10 3kgw h HIS 105 N 0.32 0.61 -0.55 5.60 3.86 -1.98 -0.97 115.15 122.04 3kgw h HIS 105 Ca 0.72 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.94 3kgw h HIS 105 Cb 1.76 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 30.01 3kgw h HIS 105 CO -0.01 0.47 0.37 0.00 0.86 0.00 0.00 177.93 179.62 3kgw h ALA 107 N 1.68 0.42 -0.50 0.00 0.00 -0.47 -1.20 119.26 119.19 3kgw h ALA 107 Ca 0.22 -0.57 0.07 0.00 0.00 0.00 0.00 54.91 54.63 3kgw h ALA 107 Cb 0.09 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3kgw h ALA 107 CO -0.06 0.69 0.16 1.98 0.00 0.00 0.00 179.25 182.02 3kgw h MET 108 N 0.54 0.32 -0.67 0.00 4.05 -0.97 -0.60 114.93 117.59 3kgw h MET 108 Ca -0.03 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.36 3kgw h MET 108 Cb 1.30 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 32.00 3kgw h MET 108 CO 0.14 0.21 0.36 0.93 0.23 0.00 0.00 176.91 178.78 3kgw h GLU 109 N 0.32 0.93 -0.26 0.39 5.08 -1.29 -1.11 114.58 118.65 3kgw h GLU 109 Ca 0.24 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 3kgw h GLU 109 Cb 0.28 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 3kgw h GLU 109 CO -0.27 0.71 -0.04 1.15 -1.00 0.00 0.00 179.01 179.57 3kgw h THR 110 N 0.91 0.77 0.41 1.13 2.02 -0.84 0.27 112.91 117.58 3kgw h THR 110 Ca 0.23 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 3kgw h THR 110 Cb 0.06 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3kgw h THR 110 CO -0.04 0.01 -0.29 0.00 0.37 0.00 0.00 175.52 175.57 3kgw h ALA 111 N 1.25 -0.69 -0.52 6.16 0.00 -0.88 -2.50 119.26 122.08 3kgw h ALA 111 Ca 0.13 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3kgw h ALA 111 Cb 0.18 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3kgw h ALA 111 CO -0.24 -0.91 -0.01 -0.07 0.00 0.00 0.00 179.25 178.02 3kgw h LEU 112 N -0.69 0.90 -1.31 0.00 3.38 -0.99 -0.01 115.31 116.60 3kgw h LEU 112 Ca -0.04 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3kgw h LEU 112 Cb 0.58 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3kgw h LEU 112 CO 0.01 0.99 0.31 -0.26 0.09 0.00 0.00 178.44 179.59 3kgw h PHE 113 N 0.79 0.76 0.16 1.13 -1.00 -0.49 -0.87 116.94 117.43 3kgw h PHE 113 Ca 0.15 -0.01 -0.33 0.00 2.81 0.00 0.00 57.97 60.59 3kgw h PHE 113 Cb 0.54 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 39.85 3kgw h PHE 113 CO 0.04 0.54 -1.60 -0.91 -1.61 0.00 0.00 178.31 174.76 3kgw h ASN 114 N 0.79 0.53 1.03 2.17 2.35 -1.28 -3.39 115.58 117.78 3kgw h ASN 114 Ca 0.20 -0.73 -0.19 0.00 -0.55 0.00 0.00 56.30 55.04 3kgw h ASN 114 Cb 0.02 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 3kgw h ASN 114 CO -0.03 1.60 -1.00 -0.07 -1.65 0.00 0.00 177.43 176.27 3kgw h LEU 115 N 0.09 0.00 -8.97 1.61 3.38 -0.90 -3.41 115.31 107.11 3kgw h LEU 115 Ca -0.28 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.05 3kgw h LEU 115 Cb 2.07 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 42.62 3kgw h LEU 115 CO 0.18 0.84 -0.65 -0.76 0.09 0.00 0.00 178.44 178.15 3kgw s LEU 116 N -6.49 3.38 0.17 1.67 1.43 -0.34 -4.90 118.68 113.61 3kgw s LEU 116 Ca 0.01 -0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.11 3kgw s LEU 116 Cb 0.09 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 3kgw s LEU 116 CO 0.80 0.22 0.18 -1.61 0.23 0.00 0.00 176.35 176.17 3kgw s GLU 117 N 0.09 3.03 0.16 1.70 2.02 -1.26 -4.77 118.70 119.68 3kgw s GLU 117 Ca 0.01 -0.83 -0.34 0.00 0.02 0.00 0.00 54.97 53.83 3kgw s GLU 117 Cb -0.13 -2.71 -0.14 0.00 0.10 0.00 0.00 34.13 31.24 3kgw s GLU 117 CO 0.02 0.48 1.53 -2.30 0.02 0.00 0.00 175.26 175.02 3kgw n PRO 118 N -0.51 2.04 0.00 0.39 -0.02 -1.26 -1.43 135.00 134.21 3kgw n PRO 118 Ca -0.08 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3kgw n PRO 118 Cb 0.55 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 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 3.18 2.06 3.75 -1.23 0.00 -0.15 -4.95 105.19 107.85 3kgw n GLY 119 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.96 6.64 0.05 1.61 1.01 -0.51 -4.43 116.67 119.08 3kgw s ASP 120 Ca 0.00 2.69 -0.30 0.00 0.71 0.00 0.00 52.55 55.64 3kgw s ASP 120 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 3kgw s ASP 120 CO 0.00 -0.71 1.17 -0.55 0.21 0.00 0.00 175.17 175.29 3kgw s SER 121 N 0.33 7.12 -0.04 0.27 0.15 -1.26 -0.88 113.70 119.39 3kgw s SER 121 Ca 0.59 1.96 0.02 0.00 0.70 0.00 0.00 55.95 59.22 3kgw s SER 121 Cb -0.42 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.32 3kgw s SER 121 CO 0.44 -0.44 -0.07 0.12 1.20 0.00 0.00 173.24 174.49 3kgw s PHE 122 N 1.07 0.92 -0.08 3.44 5.36 -0.43 -0.81 117.98 127.44 3kgw s PHE 122 Ca 0.58 -0.26 0.05 0.00 -0.96 0.00 0.00 56.93 56.33 3kgw s PHE 122 Cb -0.28 -0.71 -0.01 0.00 -0.34 0.00 0.00 43.02 41.68 3kgw s PHE 122 CO 0.29 -0.16 -0.24 -1.17 -1.46 0.00 0.00 175.22 172.49 3kgw s LEU 123 N 0.54 2.13 0.06 6.12 2.96 -0.64 -0.76 118.68 129.10 3kgw s LEU 123 Ca -0.08 -0.52 0.09 0.00 -0.22 0.00 0.00 54.13 53.40 3kgw s LEU 123 Cb -0.12 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 45.13 3kgw s LEU 123 CO 0.01 0.20 -0.26 0.42 -1.32 0.00 0.00 176.35 175.40 3kgw s THR 124 N 0.12 2.09 -1.05 3.68 -4.23 -0.61 -0.86 115.64 114.79 3kgw s THR 124 Ca -0.12 -1.41 -0.17 0.00 -1.18 0.00 0.00 61.69 58.81 3kgw s THR 124 Cb -0.16 -1.80 0.14 0.00 1.34 0.00 0.00 72.50 72.02 3kgw s THR 124 CO 0.07 0.31 1.28 -0.83 -0.54 0.00 0.00 174.62 174.90 3kgw s GLY 125 N -1.34 2.08 -1.18 3.99 0.00 -0.55 -1.19 107.32 109.13 3kgw s GLY 125 Ca 0.11 -2.99 -0.17 0.00 0.00 0.00 0.00 44.72 41.67 3kgw s GLY 125 CO 0.03 2.07 1.51 -1.59 0.00 0.00 0.00 173.10 175.12 3kgw s THR 126 N 2.38 4.50 -0.14 0.90 2.01 -0.54 -4.29 115.64 120.48 3kgw s THR 126 Ca 0.38 -1.97 0.18 0.00 0.31 0.00 0.00 61.69 60.58 3kgw s THR 126 Cb -0.04 -5.02 0.31 0.00 0.01 0.00 0.00 72.50 67.77 3kgw s THR 126 CO -0.05 -1.80 1.18 -0.46 -0.69 0.00 0.00 174.62 172.80 3kgw n ASN 127 N 7.22 2.57 0.00 3.53 6.94 -1.26 -1.60 115.26 132.66 3kgw n ASN 127 Ca 0.39 -3.01 0.00 0.00 -0.02 0.00 0.00 54.58 51.94 3kgw n ASN 127 Cb 0.46 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.46 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 -1.23 -0.84 0.18 4.83 0.00 -1.26 -4.21 105.19 102.65 3kgw n GLY 128 Ca 0.16 -0.87 -0.01 0.00 0.00 0.00 0.00 46.02 45.31 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 1.33 -0.25 -0.61 2.10 -1.94 -3.21 117.51 114.92 3kgw h ILE 129 Ca 0.00 -1.58 -0.11 0.00 1.08 0.00 0.00 64.86 64.25 3kgw h ILE 129 Cb 0.00 1.79 -0.00 0.00 -1.09 0.00 0.00 36.82 37.52 3kgw h ILE 129 CO 0.00 0.46 -0.26 -0.50 -1.08 0.00 0.00 178.15 176.77 3kgw h TRP 130 N 0.09 0.74 -0.71 2.19 4.06 -1.95 0.03 115.95 120.40 3kgw h TRP 130 Ca 0.00 -0.23 -0.02 0.00 2.06 0.00 0.00 58.89 60.71 3kgw h TRP 130 Cb 0.83 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.80 3kgw h TRP 130 CO 0.01 0.94 0.37 0.78 -3.56 0.00 0.00 178.44 176.98 3kgw h GLY 131 N 0.33 1.07 1.00 1.49 0.00 -1.75 -0.23 103.07 104.98 3kgw h GLY 131 Ca 0.04 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 3kgw h GLY 131 CO 0.06 0.47 0.36 -0.33 0.00 0.00 0.00 176.54 177.10 3kgw h MET 132 N 1.00 0.89 -0.20 4.80 2.86 -1.45 -0.85 114.93 121.98 3kgw h MET 132 Ca 0.25 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 3kgw h MET 132 Cb 0.06 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 3kgw h MET 132 CO -0.04 0.67 0.03 -0.09 1.06 0.00 0.00 176.91 178.54 3kgw h ARG 133 N 0.87 0.33 -0.79 1.72 9.65 -0.66 -1.61 114.38 123.90 3kgw h ARG 133 Ca 0.23 -0.09 0.08 0.00 -1.10 0.00 0.00 59.98 59.10 3kgw h ARG 133 Cb 0.03 -0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 28.51 3kgw h ARG 133 CO -0.04 0.49 0.45 0.00 2.80 0.00 0.00 179.97 183.67 3kgw h ALA 134 N 0.83 1.10 -0.78 2.80 0.00 -0.91 -1.60 119.26 120.71 3kgw h ALA 134 Ca 0.06 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3kgw h ALA 134 Cb 0.32 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3kgw h ALA 134 CO 0.00 0.10 0.34 0.00 0.00 0.00 0.00 179.25 179.69 3kgw h ALA 135 N 1.43 1.01 -0.28 0.00 0.00 -0.87 -1.31 119.26 119.23 3kgw h ALA 135 Ca 0.37 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3kgw h ALA 135 Cb 0.31 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kgw h ALA 135 CO -0.23 0.61 0.06 1.49 0.00 0.00 0.00 179.25 181.18 3kgw h GLU 136 N 1.12 0.45 -0.26 0.00 4.57 -0.92 -1.18 114.58 118.36 3kgw h GLU 136 Ca 0.26 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3kgw h GLU 136 Cb 0.17 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 3kgw h GLU 136 CO -0.03 0.54 0.16 0.82 -1.18 0.00 0.00 179.01 179.32 3kgw h ILE 137 N 0.28 1.10 -0.94 2.32 2.04 -1.16 -1.71 117.51 119.44 3kgw h ILE 137 Ca 0.09 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.73 3kgw h ILE 137 Cb 0.30 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 3kgw h ILE 137 CO 0.00 0.10 0.62 0.00 0.00 0.00 0.00 178.15 178.87 3kgw h ALA 138 N 1.05 1.24 -0.74 1.87 0.00 -1.18 -2.20 119.26 119.30 3kgw h ALA 138 Ca 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3kgw h ALA 138 Cb 0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3kgw h ALA 138 CO -0.02 0.51 0.30 0.22 0.00 0.00 0.00 179.25 180.27 3kgw h ASP 139 N 1.21 1.01 -0.15 0.00 3.58 -0.90 -1.70 116.42 119.47 3kgw h ASP 139 Ca 0.37 -0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.67 3kgw h ASP 139 Cb -0.03 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 3kgw h ASP 139 CO -0.11 0.89 0.09 0.03 -2.88 0.00 0.00 179.24 177.26 3kgw h ARG 140 N 1.07 0.22 -0.48 0.28 3.08 -0.69 -2.36 114.38 115.51 3kgw h ARG 140 Ca 0.25 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3kgw h ARG 140 Cb 0.19 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3kgw h ARG 140 CO -0.02 0.16 0.00 0.44 -1.07 0.00 0.00 179.97 179.48 3kgw n ILE 141 N -4.49 0.63 -0.75 2.04 -5.35 -1.01 -4.97 119.36 105.45 3kgw n ILE 141 Ca -0.01 -0.74 0.00 0.00 -0.27 0.00 0.00 62.75 61.74 3kgw n ILE 141 Cb 0.09 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 38.62 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 1.46 0.54 3.82 3.28 0.00 -0.89 -4.20 105.19 109.20 3kgw n GLY 142 Ca 0.20 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 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 2.77 -0.61 4.61 0.00 -0.68 -0.98 121.76 124.87 3kgw s ALA 143 Ca 0.00 0.15 -0.22 0.00 0.00 0.00 0.00 51.96 51.89 3kgw s ALA 143 Cb 0.00 -3.18 0.06 0.00 0.00 0.00 0.00 23.12 20.01 3kgw s ALA 143 CO 0.00 -1.00 0.90 1.03 0.00 0.00 0.00 175.76 176.69 3kgw s ARG 144 N -4.75 3.16 -0.16 0.00 0.52 -0.06 -4.62 118.95 113.04 3kgw s ARG 144 Ca 0.59 -0.74 -0.17 0.00 -0.52 0.00 0.00 55.73 54.89 3kgw s ARG 144 Cb -0.14 -4.17 -0.04 0.00 0.52 0.00 0.00 34.95 31.12 3kgw s ARG 144 CO 0.49 -1.64 0.45 0.08 0.02 0.00 0.00 175.30 174.70 3kgw s VAL 145 N 3.74 5.18 -0.08 3.52 1.01 -1.26 -1.32 120.40 131.19 3kgw s VAL 145 Ca 0.22 0.86 0.04 0.00 0.00 0.00 0.00 61.98 63.11 3kgw s VAL 145 Cb -0.17 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 3kgw s VAL 145 CO 0.12 0.28 -0.22 -1.00 0.00 0.00 0.00 175.10 174.28 3kgw s HIS 146 N 1.03 2.34 -0.06 5.22 3.76 0.06 -4.98 115.29 122.66 3kgw s HIS 146 Ca 0.23 -0.88 0.04 0.00 -0.15 0.00 0.00 55.06 54.31 3kgw s HIS 146 Cb -0.15 -1.57 -0.02 0.00 1.11 0.00 0.00 32.58 31.95 3kgw s HIS 146 CO 0.09 -0.34 -0.18 -0.65 -0.85 0.00 0.00 174.74 172.81 3kgw s GLN 147 N 0.24 2.60 -0.53 1.40 -0.21 -1.26 -1.57 119.66 120.34 3kgw s GLN 147 Ca -0.14 -0.77 -0.15 0.00 0.02 0.00 0.00 55.36 54.32 3kgw s GLN 147 Cb -0.16 -2.33 0.13 0.00 1.00 0.00 0.00 33.01 31.65 3kgw s GLN 147 CO 0.07 0.50 0.47 -1.64 -2.12 0.00 0.00 175.29 172.57 3kgw s MET 148 N -0.42 2.90 -0.16 2.91 -1.94 -0.34 -4.95 119.30 117.30 3kgw s MET 148 Ca 0.05 -1.73 -0.23 0.00 -1.71 0.00 0.00 55.69 52.07 3kgw s MET 148 Cb -0.12 -4.23 -0.02 0.00 2.01 0.00 0.00 34.83 32.46 3kgw s MET 148 CO 0.02 -1.31 0.74 0.42 -0.01 0.00 0.00 175.02 174.88 3kgw s ILE 149 N 1.55 4.96 0.10 2.53 1.01 -1.26 -1.46 121.20 128.63 3kgw s ILE 149 Ca 0.04 1.44 0.06 0.00 0.00 0.00 0.00 60.65 62.18 3kgw s ILE 149 Cb -0.29 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.09 3kgw s ILE 149 CO 0.02 0.09 -0.15 -0.54 0.00 0.00 0.00 174.94 174.37 3kgw s LYS 150 N 1.86 0.96 0.42 2.79 1.02 -0.63 -5.02 119.74 121.15 3kgw s LYS 150 Ca 0.35 -1.14 -0.26 0.00 0.02 0.00 0.00 55.97 54.94 3kgw s LYS 150 Cb -0.16 -0.92 -0.08 0.00 -0.52 0.00 0.00 37.83 36.15 3kgw s LYS 150 CO 0.12 0.19 1.34 0.15 -0.92 0.00 0.00 175.35 176.23 3kgw s LYS 151 N -2.30 3.85 0.25 1.68 1.02 -1.26 -4.36 119.74 118.62 3kgw s LYS 151 Ca 0.05 2.23 -0.31 0.00 0.02 0.00 0.00 55.97 57.96 3kgw s LYS 151 Cb -0.07 -2.70 -0.13 0.00 -0.52 0.00 0.00 37.83 34.40 3kgw s LYS 151 CO 0.03 -0.61 1.38 -0.35 -0.92 0.00 0.00 175.35 174.87 3kgw n PRO 152 N -0.02 1.99 -0.03 -1.68 -0.04 -1.26 -2.27 135.00 131.70 3kgw n PRO 152 Ca 0.04 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.21 3kgw n PRO 152 Cb 0.43 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 3kgw n PRO 152 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kgw n GLY 153 N 2.01 0.42 3.66 0.55 0.00 -1.26 -5.04 105.19 105.53 3kgw n GLY 153 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.97 2.33 0.43 1.61 2.02 -0.96 -4.64 118.70 118.52 3kgw s GLU 154 Ca 0.00 -1.42 0.06 0.00 0.02 0.00 0.00 54.97 53.63 3kgw s GLU 154 Cb 0.00 -2.17 -0.06 0.00 0.10 0.00 0.00 34.13 31.99 3kgw s GLU 154 CO 0.00 0.33 0.02 -3.38 0.02 0.00 0.00 175.26 172.26 3kgw s HIS 155 N -2.33 2.39 -0.06 1.61 -3.43 -1.26 -4.93 115.29 107.28 3kgw s HIS 155 Ca 0.32 -0.72 -0.13 0.00 -0.80 0.00 0.00 55.06 53.73 3kgw s HIS 155 Cb -0.06 -1.76 -0.05 0.00 -1.43 0.00 0.00 32.58 29.28 3kgw s HIS 155 CO 0.20 0.38 0.33 0.71 -2.00 0.00 0.00 174.74 174.36 3kgw s TYR 156 N -2.74 3.65 0.42 0.38 2.02 -1.26 -5.10 117.35 114.73 3kgw s TYR 156 Ca 0.30 0.82 -0.02 0.00 -0.37 0.00 0.00 57.07 57.80 3kgw s TYR 156 Cb 0.08 -2.22 -0.03 0.00 -0.40 0.00 0.00 41.96 39.40 3kgw s TYR 156 CO 0.15 0.60 0.67 0.95 -1.57 0.00 0.00 175.55 176.35 3kgw s THR 157 N -0.80 4.78 0.37 -0.71 -4.23 -1.26 -4.81 115.64 108.98 3kgw s THR 157 Ca 0.21 -0.22 0.04 0.00 -1.18 0.00 0.00 61.69 60.54 3kgw s THR 157 Cb -0.15 -3.78 0.27 0.00 1.34 0.00 0.00 72.50 70.18 3kgw s THR 157 CO 0.10 -0.62 2.01 -0.07 -0.54 0.00 0.00 174.62 175.50 3kgw h LEU 158 N 0.47 0.65 -0.26 4.79 3.38 -1.98 -2.58 115.31 119.78 3kgw h LEU 158 Ca -0.48 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 3kgw h LEU 158 Cb 1.22 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3kgw h LEU 158 CO 0.61 0.46 0.05 1.56 0.09 0.00 0.00 178.44 181.21 3kgw h GLN 159 N 0.76 0.42 -0.52 1.13 7.50 -1.99 -1.30 115.11 121.10 3kgw h GLN 159 Ca 0.23 -0.11 0.01 0.00 0.50 0.00 0.00 58.65 59.28 3kgw h GLN 159 Cb -0.02 -0.05 -0.03 0.00 0.05 0.00 0.00 27.48 27.43 3kgw h GLN 159 CO -0.05 0.53 0.34 0.93 -1.50 0.00 0.00 178.83 179.08 3kgw h GLU 160 N 0.24 0.68 -0.52 1.46 5.08 -1.93 -1.86 114.58 117.74 3kgw h GLU 160 Ca 0.08 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3kgw h GLU 160 Cb 0.31 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3kgw h GLU 160 CO 0.00 0.45 0.18 0.28 -1.00 0.00 0.00 179.01 178.92 3kgw h VAL 161 N 0.70 1.23 -0.98 3.13 2.07 -1.38 -2.33 116.25 118.69 3kgw h VAL 161 Ca 0.20 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.99 3kgw h VAL 161 Cb -0.06 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 3kgw h VAL 161 CO -0.05 0.28 0.64 -0.08 0.02 0.00 0.00 177.57 178.38 3kgw h GLU 162 N 0.71 1.24 -0.54 1.57 4.81 -0.87 0.26 114.58 121.75 3kgw h GLU 162 Ca 0.17 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 3kgw h GLU 162 Cb 0.25 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3kgw h GLU 162 CO -0.01 0.82 0.12 0.93 -0.73 0.00 0.00 179.01 180.14 3kgw h GLU 163 N 1.27 0.84 -0.28 1.92 5.08 -1.11 0.39 114.58 122.70 3kgw h GLU 163 Ca 0.37 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.42 3kgw h GLU 163 Cb -0.07 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 3kgw h GLU 163 CO -0.10 0.77 -0.36 0.78 -1.00 0.00 0.00 179.01 179.10 3kgw h GLY 164 N 0.98 0.81 1.00 -3.84 0.00 -0.79 -1.43 103.07 99.80 3kgw h GLY 164 Ca 0.18 -0.87 0.00 0.00 0.00 0.00 0.00 47.33 46.63 3kgw h GLY 164 CO 0.00 0.79 0.14 1.41 0.00 0.00 0.00 176.54 178.88 3kgw h LEU 165 N 0.49 0.25 -0.59 3.11 3.38 -0.71 -1.12 115.31 120.12 3kgw h LEU 165 Ca 0.04 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3kgw h LEU 165 Cb 0.94 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 3kgw h LEU 165 CO 0.09 0.19 0.30 0.00 0.09 0.00 0.00 178.44 179.11 3kgw h ALA 166 N 1.07 0.76 0.15 1.53 0.00 -0.93 0.55 119.26 122.39 3kgw h ALA 166 Ca 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3kgw h ALA 166 Cb -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3kgw h ALA 166 CO -0.02 0.30 -0.07 0.37 0.00 0.00 0.00 179.25 179.83 3kgw h GLN 167 N 0.80 -0.20 0.00 0.00 4.15 -1.15 -3.37 115.11 115.34 3kgw h GLN 167 Ca 0.20 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.64 3kgw h GLN 167 Cb 0.08 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3kgw h GLN 167 CO -0.03 0.08 -1.04 0.72 -1.93 0.00 0.00 178.83 176.63 3kgw n HIS 168 N -5.06 0.00 -3.98 3.99 8.25 -0.43 -5.01 115.22 112.98 3kgw n HIS 168 Ca -0.09 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.08 3kgw n HIS 168 Cb 0.20 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.27 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 -1.53 -2.24 -2.20 -0.41 4.01 0.18 -4.90 118.16 111.08 3kgw n LYS 169 Ca 0.04 0.33 -0.34 0.00 -0.51 0.00 0.00 58.31 57.82 3kgw n LYS 169 Cb 0.34 -4.10 0.00 0.00 -0.51 0.00 0.00 35.03 30.76 3kgw n LYS 169 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 3kgw s PRO 170 N -6.68 3.35 0.39 1.97 0.04 -1.26 -4.76 135.00 128.04 3kgw s PRO 170 Ca 0.13 1.46 0.24 0.00 0.04 0.00 0.00 61.00 62.87 3kgw s PRO 170 Cb -0.06 -2.02 0.41 0.00 0.04 0.00 0.00 34.50 32.87 3kgw s PRO 170 CO 0.91 -0.83 1.62 -0.39 0.04 0.00 0.00 177.00 178.35 3kgw h VAL 171 N 0.95 0.00 -2.87 -0.36 -1.51 -1.27 -3.40 116.25 107.80 3kgw h VAL 171 Ca -0.49 -0.90 -0.15 0.00 -1.23 0.00 0.00 66.70 63.93 3kgw h VAL 171 Cb 1.24 1.88 -0.27 0.00 -2.13 0.00 0.00 31.29 32.02 3kgw h VAL 171 CO 0.57 0.00 -0.36 -0.22 -1.23 0.00 0.00 177.57 176.33 3kgw s LEU 172 N -5.87 0.38 -0.12 4.19 2.96 -1.24 -1.62 118.68 117.35 3kgw s LEU 172 Ca 0.07 0.70 -0.01 0.00 -0.22 0.00 0.00 54.13 54.68 3kgw s LEU 172 Cb 0.07 1.09 -0.02 0.00 0.50 0.00 0.00 46.19 47.82 3kgw s LEU 172 CO 0.66 -0.15 -0.10 -0.22 -1.32 0.00 0.00 176.35 175.22 3kgw s LEU 173 N 0.88 2.93 -0.23 -0.68 2.96 0.04 -1.61 118.68 122.96 3kgw s LEU 173 Ca -0.06 -0.21 -0.07 0.00 -0.22 0.00 0.00 54.13 53.57 3kgw s LEU 173 Cb -0.07 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 3kgw s LEU 173 CO -0.06 0.22 0.07 0.12 -1.32 0.00 0.00 176.35 175.37 3kgw s PHE 174 N 0.06 3.12 -0.02 5.38 5.36 -0.04 -0.80 117.98 131.04 3kgw s PHE 174 Ca -0.03 -0.28 0.04 0.00 -0.96 0.00 0.00 56.93 55.70 3kgw s PHE 174 Cb -0.14 -2.20 -0.01 0.00 -0.34 0.00 0.00 43.02 40.33 3kgw s PHE 174 CO 0.04 -0.22 -0.14 -0.51 -1.46 0.00 0.00 175.22 172.92 3kgw s LEU 175 N 1.31 1.95 -0.22 6.12 1.43 -0.49 -1.48 118.68 127.30 3kgw s LEU 175 Ca 0.05 -0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 52.73 3kgw s LEU 175 Cb -0.15 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 3kgw s LEU 175 CO 0.04 0.15 0.33 -0.69 0.23 0.00 0.00 176.35 176.41 3kgw s VAL 176 N -0.14 5.24 -0.08 -1.59 1.01 -1.26 -1.87 120.40 121.71 3kgw s VAL 176 Ca 0.02 0.55 -0.16 0.00 0.00 0.00 0.00 61.98 62.38 3kgw s VAL 176 Cb -0.08 -3.66 -0.13 0.00 0.00 0.00 0.00 36.38 32.51 3kgw s VAL 176 CO 0.00 0.27 0.61 -0.74 0.00 0.00 0.00 175.10 175.24 3kgw h HIS 177 N 7.49 -0.15 -3.47 5.22 2.76 -1.11 -3.40 115.15 122.49 3kgw h HIS 177 Ca -0.36 -0.00 -0.71 0.00 -2.20 0.00 0.00 60.37 57.10 3kgw h HIS 177 Cb 1.16 0.05 -0.31 0.00 1.55 0.00 0.00 27.41 29.86 3kgw h HIS 177 CO 0.68 0.24 -0.51 0.20 -1.30 0.00 0.00 177.93 177.25 3kgw s GLY 178 N -3.47 1.97 -0.84 5.26 0.00 -1.24 -0.88 107.32 108.12 3kgw s GLY 178 Ca -0.10 -2.33 -0.22 0.00 0.00 0.00 0.00 44.72 42.08 3kgw s GLY 178 CO 0.37 0.99 1.15 1.85 0.00 0.00 0.00 173.10 177.45 3kgw s GLU 179 N 1.29 3.40 0.56 2.90 -6.30 0.36 -4.40 118.70 116.51 3kgw s GLU 179 Ca 0.05 -1.20 0.33 0.00 -2.50 0.00 0.00 54.97 51.64 3kgw s GLU 179 Cb -0.23 -4.71 1.61 0.00 0.00 0.00 0.00 34.13 30.80 3kgw s GLU 179 CO -0.01 -1.90 2.10 0.66 0.02 0.00 0.00 175.26 176.13 3kgw h SER 180 N 9.36 0.00 1.19 -1.70 4.64 -1.96 0.65 113.55 125.74 3kgw h SER 180 Ca -0.02 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.18 3kgw h SER 180 Cb 1.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 3kgw h SER 180 CO 1.21 0.07 -0.55 0.77 -0.87 0.00 0.00 176.83 177.46 3kgw h SER 181 N 0.00 0.00 -0.00 4.97 4.64 -1.89 -3.37 113.55 117.90 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 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3kgw h SER 181 CO 0.01 0.55 -0.13 0.35 -0.87 0.00 0.00 176.83 176.74 3kgw n THR 182 N -3.36 0.00 -2.06 2.95 -2.24 -1.00 -4.50 114.28 104.07 3kgw n THR 182 Ca 0.01 -0.44 -0.09 0.00 -2.27 0.00 0.00 64.05 61.26 3kgw n THR 182 Cb 0.70 1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.94 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 0.89 0.13 3.75 3.38 0.00 0.19 -4.61 105.19 108.92 3kgw n GLY 183 Ca 0.01 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.43 4.93 -0.22 1.61 1.01 -1.12 -1.38 120.40 122.79 3kgw s VAL 184 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 3kgw s VAL 184 Cb 0.00 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 3kgw s VAL 184 CO 0.00 0.57 0.05 0.54 0.00 0.00 0.00 175.10 176.26 3kgw s VAL 185 N -0.60 4.28 -0.13 2.92 0.11 0.01 -0.48 120.40 126.50 3kgw s VAL 185 Ca 0.11 -0.19 -0.24 0.00 -2.93 0.00 0.00 61.98 58.73 3kgw s VAL 185 Cb -0.12 -2.97 -0.03 0.00 -1.53 0.00 0.00 36.38 31.74 3kgw s VAL 185 CO 0.02 0.38 0.76 -1.58 -3.33 0.00 0.00 175.10 171.35 3kgw s GLN 186 N 1.24 4.35 0.36 1.54 2.00 -0.06 -4.71 119.66 124.39 3kgw s GLN 186 Ca 0.04 0.92 -0.28 0.00 -2.00 0.00 0.00 55.36 54.04 3kgw s GLN 186 Cb -0.15 -3.52 -0.11 0.00 0.80 0.00 0.00 33.01 30.04 3kgw s GLN 186 CO 0.03 -0.15 1.46 -2.14 -0.50 0.00 0.00 175.29 173.99 3kgw s PRO 187 N 1.54 4.16 -0.01 1.67 0.02 -1.26 -4.87 135.00 136.24 3kgw s PRO 187 Ca 0.37 2.51 0.11 0.00 0.02 0.00 0.00 61.00 64.01 3kgw s PRO 187 Cb -0.17 -2.99 -0.16 0.00 0.02 0.00 0.00 34.50 31.20 3kgw s PRO 187 CO 0.15 -0.48 0.31 1.28 -0.33 0.00 0.00 177.00 177.93 3kgw n LEU 188 N 0.73 0.15 -4.74 -5.54 4.77 -1.26 -4.94 117.00 106.17 3kgw n LEU 188 Ca 0.02 -0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.43 3kgw n LEU 188 Cb 0.39 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 3kgw n LEU 188 CO 0.63 0.04 1.24 -1.81 -1.33 0.00 0.00 177.39 176.16 3kgw s ASP 189 N -2.90 6.48 0.00 -1.43 1.01 -1.26 -2.73 116.67 115.83 3kgw s ASP 189 Ca -0.02 2.80 0.00 0.00 0.71 0.00 0.00 52.55 56.05 3kgw s ASP 189 Cb 0.07 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.39 3kgw s ASP 189 CO 0.45 -0.86 0.00 0.61 0.21 0.00 0.00 175.17 175.58 3kgw n GLY 190 N 2.88 2.91 0.24 0.21 0.00 -1.26 -4.91 105.19 105.26 3kgw n GLY 190 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 0.93 0.08 1.61 -1.00 -1.81 -1.94 116.94 114.82 3kgw h PHE 191 Ca 0.00 -0.22 -0.00 0.00 2.81 0.00 0.00 57.97 60.55 3kgw h PHE 191 Cb 0.00 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.34 3kgw h PHE 191 CO 0.00 0.97 -0.04 0.78 -1.61 0.00 0.00 178.31 178.41 3kgw h GLY 192 N 0.62 -0.12 0.77 -1.45 0.00 -1.76 -0.52 103.07 100.61 3kgw h GLY 192 Ca 0.09 0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.51 3kgw h GLY 192 CO 0.05 -0.04 0.44 -2.09 0.00 0.00 0.00 176.54 174.90 3kgw h GLU 193 N -0.15 0.80 0.09 4.80 4.22 -1.79 -0.72 114.58 121.83 3kgw h GLU 193 Ca -0.01 -0.05 -0.00 0.00 0.08 0.00 0.00 59.36 59.38 3kgw h GLU 193 Cb 0.12 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 3kgw h GLU 193 CO 0.02 0.53 -0.06 1.25 -2.18 0.00 0.00 179.01 178.56 3kgw h LEU 194 N 0.82 -0.16 -0.72 1.64 5.85 -1.20 -2.05 115.31 119.48 3kgw h LEU 194 Ca 0.31 0.01 0.09 0.00 0.84 0.00 0.00 57.88 59.13 3kgw h LEU 194 Cb 0.11 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.12 3kgw h LEU 194 CO -0.15 -0.10 0.37 0.00 -0.34 0.00 0.00 178.44 178.22 3kgw h HIS 196 N 0.63 0.00 0.00 0.00 3.86 -0.81 -0.35 115.15 118.48 3kgw h HIS 196 Ca 0.35 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.54 3kgw h HIS 196 Cb 0.36 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.83 3kgw h HIS 196 CO -0.10 0.28 -0.10 0.00 0.86 0.00 0.00 177.93 178.87 3kgw h ARG 197 N 0.00 0.00 -0.52 2.45 3.08 -0.64 -2.23 114.38 116.52 3kgw h ARG 197 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kgw h ARG 197 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3kgw h ARG 197 CO 0.04 0.10 0.00 0.66 -1.07 0.00 0.00 179.97 179.69 3kgw n TYR 198 N -3.46 1.31 -3.85 3.04 4.02 -0.50 -4.97 117.16 112.77 3kgw n TYR 198 Ca -0.01 -0.67 -0.30 0.00 -0.01 0.00 0.00 57.90 56.91 3kgw n TYR 198 Cb 0.25 -0.27 0.02 0.00 -0.02 0.00 0.00 39.34 39.33 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 0.63 -5.25 -4.89 -0.72 3.00 -0.84 -4.87 117.38 104.44 3kgw n GLN 199 Ca 0.23 0.59 -0.32 0.00 -0.01 0.00 0.00 57.00 57.50 3kgw n GLN 199 Cb 0.87 -5.47 -0.14 0.00 0.00 0.00 0.00 30.24 25.51 3kgw n GLN 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3kgw s LEU 201 N -0.97 4.34 -0.23 0.00 1.43 -0.64 -3.55 118.68 119.06 3kgw s LEU 201 Ca 0.12 1.31 -0.06 0.00 -1.03 0.00 0.00 54.13 54.47 3kgw s LEU 201 Cb -0.10 -3.48 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 3kgw s LEU 201 CO 0.02 0.06 0.04 -0.22 0.23 0.00 0.00 176.35 176.48 3kgw s LEU 202 N -1.95 3.36 -0.19 1.79 2.96 -1.26 -0.78 118.68 122.60 3kgw s LEU 202 Ca 0.41 -0.20 -0.03 0.00 -0.22 0.00 0.00 54.13 54.09 3kgw s LEU 202 Cb -0.16 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 3kgw s LEU 202 CO 0.20 0.01 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.95 3kgw s LEU 203 N 1.36 2.84 -0.08 -0.68 2.96 0.02 -1.53 118.68 123.57 3kgw s LEU 203 Ca 0.05 -0.36 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 3kgw s LEU 203 Cb -0.15 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 3kgw s LEU 203 CO 0.02 0.05 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.21 3kgw s VAL 204 N 1.07 2.48 -0.33 1.68 1.01 -0.20 -1.40 120.40 124.71 3kgw s VAL 204 Ca 0.00 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 3kgw s VAL 204 Cb -0.15 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 3kgw s VAL 204 CO -0.01 0.56 0.53 -0.62 0.00 0.00 0.00 175.10 175.56 3kgw s ASP 205 N -0.11 6.35 -0.19 3.32 -1.08 -0.78 -2.22 116.67 121.95 3kgw s ASP 205 Ca -0.04 0.10 0.12 0.00 -0.52 0.00 0.00 52.55 52.22 3kgw s ASP 205 Cb -0.14 -2.28 0.40 0.00 -1.46 0.00 0.00 42.92 39.44 3kgw s ASP 205 CO 0.04 -0.45 1.21 -1.54 0.52 0.00 0.00 175.17 174.94 3kgw n SER 206 N 5.74 1.80 -0.20 -0.34 3.41 -0.30 -0.48 113.62 123.25 3kgw n SER 206 Ca -0.04 -3.74 0.00 0.00 -0.26 0.00 0.00 58.87 54.83 3kgw n SER 206 Cb 0.49 -0.51 0.11 0.00 -0.26 0.00 0.00 64.21 64.04 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 0.95 0.73 -0.01 -3.33 2.07 -1.88 -0.94 116.25 113.84 3kgw h VAL 207 Ca -0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3kgw h VAL 207 Cb 1.01 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3kgw h VAL 207 CO 0.00 0.07 -0.56 0.00 0.02 0.00 0.00 177.57 177.10 3kgw n ALA 208 N -2.50 3.75 -0.04 1.67 0.00 -1.26 -4.43 120.51 117.69 3kgw n ALA 208 Ca 0.09 -0.51 -0.04 0.00 0.00 0.00 0.00 53.44 52.98 3kgw n ALA 208 Cb 0.29 -0.95 -0.07 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.89 2.84 -4.67 0.00 3.41 -1.11 -4.75 113.62 108.45 3kgw n SER 209 Ca 0.08 0.00 -0.47 0.00 -0.26 0.00 0.00 58.87 58.22 3kgw n SER 209 Cb 0.37 0.75 -0.04 0.00 -0.26 0.00 0.00 64.21 65.02 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 -2.30 3.04 0.00 1.04 7.94 -0.37 -1.28 117.00 125.06 3kgw n LEU 210 Ca -0.14 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.83 3kgw n LEU 210 Cb 0.76 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 43.31 3kgw n LEU 210 CO 0.19 -0.31 0.00 0.61 -1.11 0.00 0.00 177.39 176.77 3kgw n GLY 211 N 3.49 3.08 0.00 -3.96 0.00 -1.26 -4.48 105.19 102.07 3kgw n GLY 211 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.33 -0.36 2.99 -0.02 0.00 -0.41 -4.10 105.19 101.96 3kgw n GLY 212 Ca 0.00 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.54 0.60 0.16 1.61 1.01 -0.53 -4.69 120.40 116.02 3kgw s VAL 213 Ca -0.01 -0.31 -0.32 0.00 0.00 0.00 0.00 61.98 61.33 3kgw s VAL 213 Cb 0.08 -0.52 -0.12 0.00 0.00 0.00 0.00 36.38 35.82 3kgw s VAL 213 CO 0.47 0.18 1.71 -2.65 0.00 0.00 0.00 175.10 174.81 3kgw n PRO 214 N 3.02 2.58 -3.82 2.72 -0.02 -1.26 -4.75 135.00 133.47 3kgw n PRO 214 Ca -0.15 0.93 -0.13 0.00 -2.02 0.00 0.00 63.50 62.13 3kgw n PRO 214 Cb 0.57 -2.77 -0.15 0.00 -0.02 0.00 0.00 33.50 31.13 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 1.56 -0.03 -0.41 4.25 1.01 -1.26 -5.05 121.20 121.28 3kgw s ILE 215 Ca 0.78 0.10 0.01 0.00 0.00 0.00 0.00 60.65 61.55 3kgw s ILE 215 Cb -0.56 -0.04 0.13 0.00 0.01 0.00 0.00 42.46 42.00 3kgw s ILE 215 CO 0.36 0.04 0.22 -0.31 0.00 0.00 0.00 174.94 175.25 3kgw s TYR 216 N 0.49 1.69 0.11 3.97 1.51 -1.26 -4.67 117.35 119.19 3kgw s TYR 216 Ca -0.04 -2.21 -0.30 0.00 -1.01 0.00 0.00 57.07 53.51 3kgw s TYR 216 Cb -0.06 -1.67 -0.11 0.00 -0.11 0.00 0.00 41.96 40.01 3kgw s TYR 216 CO -0.01 -0.80 1.61 1.98 -1.11 0.00 0.00 175.55 177.22 3kgw h MET 217 N 6.89 -0.61 -0.23 -0.62 4.05 -1.21 -0.49 114.93 122.71 3kgw h MET 217 Ca -0.00 0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.41 3kgw h MET 217 Cb 0.94 0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.87 3kgw h MET 217 CO 0.43 -0.41 -0.03 -0.44 0.23 0.00 0.00 176.91 176.70 3kgw h ASP 218 N -0.63 0.43 0.29 1.39 3.32 -1.79 -1.75 116.42 117.67 3kgw h ASP 218 Ca 0.01 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.68 3kgw h ASP 218 Cb 0.62 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3kgw h ASP 218 CO -0.14 0.67 -0.17 1.56 -1.72 0.00 0.00 179.24 179.43 3kgw h GLN 219 N 0.18 0.00 -0.41 3.56 4.20 -1.79 -1.54 115.11 119.31 3kgw h GLN 219 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 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 0.17 0.00 1.04 -0.67 0.00 0.00 178.83 179.39 3kgw n GLN 220 N -3.97 2.12 -2.34 1.46 6.02 -0.21 -4.97 117.38 115.50 3kgw n GLN 220 Ca -0.02 -1.73 -0.17 0.00 -0.01 0.00 0.00 57.00 55.07 3kgw n GLN 220 Cb 0.26 -1.41 -0.01 0.00 1.02 0.00 0.00 30.24 30.10 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 1.30 -0.35 3.67 1.08 0.00 -0.58 -3.85 105.19 106.45 3kgw n GLY 221 Ca 0.17 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.87 4.90 -0.06 -0.61 1.01 -0.67 -4.36 121.20 118.53 3kgw s ILE 222 Ca 0.01 1.57 -0.13 0.00 0.00 0.00 0.00 60.65 62.10 3kgw s ILE 222 Cb -0.00 -4.11 -0.30 0.00 0.01 0.00 0.00 42.46 38.05 3kgw s ILE 222 CO 0.01 0.04 0.67 0.44 0.00 0.00 0.00 174.94 176.09 3kgw h ASP 223 N 7.36 0.58 -3.98 3.58 3.32 -1.63 -3.42 116.42 122.23 3kgw h ASP 223 Ca -0.29 -0.92 -0.43 0.00 0.02 0.00 0.00 57.03 55.41 3kgw h ASP 223 Cb 1.13 -0.19 -0.30 0.00 0.22 0.00 0.00 39.33 40.20 3kgw h ASP 223 CO 0.83 1.74 -0.79 -0.63 -1.72 0.00 0.00 179.24 178.67 3kgw s ILE 224 N -2.55 0.84 -0.05 0.35 1.09 -0.58 -1.03 121.20 119.27 3kgw s ILE 224 Ca -0.16 -0.43 -0.07 0.00 -1.10 0.00 0.00 60.65 58.89 3kgw s ILE 224 Cb 0.05 -0.72 0.01 0.00 -1.06 0.00 0.00 42.46 40.74 3kgw s ILE 224 CO 0.84 0.25 0.18 -0.32 -0.10 0.00 0.00 174.94 175.78 3kgw s MET 225 N -0.07 0.31 0.08 2.79 1.75 -0.78 -1.03 119.30 122.35 3kgw s MET 225 Ca 0.01 0.04 0.02 0.00 -1.25 0.00 0.00 55.69 54.51 3kgw s MET 225 Cb -0.06 0.14 -0.04 0.00 2.84 0.00 0.00 34.83 37.72 3kgw s MET 225 CO -0.00 -0.06 -0.07 1.52 -0.65 0.00 0.00 175.02 175.76 3kgw s TYR 226 N -0.41 0.83 0.13 4.11 -0.85 -0.94 -1.40 117.35 118.81 3kgw s TYR 226 Ca -0.05 -0.75 0.00 0.00 -0.52 0.00 0.00 57.07 55.75 3kgw s TYR 226 Cb -0.03 -0.48 0.00 0.00 0.38 0.00 0.00 41.96 41.83 3kgw s TYR 226 CO 0.01 -0.12 0.17 0.45 -1.52 0.00 0.00 175.55 174.54 3kgw n SER 227 N 0.54 -0.46 -4.28 -0.18 2.88 -0.51 -1.15 113.62 110.46 3kgw n SER 227 Ca -0.16 -1.73 -0.15 0.00 -1.33 0.00 0.00 58.87 55.49 3kgw n SER 227 Cb 0.58 0.89 -0.10 0.00 -0.75 0.00 0.00 64.21 64.83 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 -1.82 1.01 0.23 -3.46 1.04 -1.26 -1.25 113.70 108.19 3kgw s SER 228 Ca 0.12 -1.34 0.13 0.00 0.48 0.00 0.00 55.95 55.33 3kgw s SER 228 Cb -0.00 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.32 3kgw s SER 228 CO 0.08 -0.72 1.41 0.77 0.98 0.00 0.00 173.24 175.76 3kgw h SER 229 N 2.49 0.00 -0.35 7.02 4.64 -1.75 -3.40 113.55 122.20 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 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3kgw h SER 229 CO 0.60 0.65 0.00 0.00 -0.87 0.00 0.00 176.83 177.21 3kgw n GLN 230 N -3.28 2.13 0.00 4.77 0.00 -1.23 -1.51 117.38 118.25 3kgw n GLN 230 Ca 0.01 -1.72 0.00 0.00 0.00 0.00 0.00 57.00 55.30 3kgw n GLN 230 Cb 0.79 -1.43 0.00 0.00 0.00 0.00 0.00 30.24 29.60 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 0.92 0.00 0.19 2.61 4.76 -1.26 -1.69 118.16 123.69 3kgw n LYS 231 Ca 0.17 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.65 3kgw n LYS 231 Cb 0.45 0.00 0.40 0.00 -1.84 0.00 0.00 35.03 34.04 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 1.22 0.00 -0.18 2.07 -1.83 -2.70 116.25 114.83 3kgw h VAL 232 Ca 0.00 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.49 3kgw h VAL 232 Cb 0.00 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3kgw h VAL 232 CO 0.00 0.30 0.00 -0.07 0.02 0.00 0.00 177.57 177.82 3kgw h LEU 233 N 0.02 0.00 -0.33 2.57 4.07 -1.83 -3.29 115.31 116.52 3kgw h LEU 233 Ca 0.00 0.00 -0.42 0.00 0.08 0.00 0.00 57.88 57.54 3kgw h LEU 233 Cb 0.53 0.00 0.07 0.00 1.08 0.00 0.00 40.66 42.34 3kgw h LEU 233 CO 0.04 0.00 -0.67 0.59 -1.08 0.00 0.00 178.44 177.32 3kgw n ASN 234 N -2.88 -5.89 -4.65 -0.43 5.03 -1.02 -4.75 115.26 100.68 3kgw n ASN 234 Ca -0.01 -0.52 -0.23 0.00 0.87 0.00 0.00 54.58 54.69 3kgw n ASN 234 Cb 0.14 -4.68 -0.07 0.00 -1.02 0.00 0.00 39.78 34.15 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 -3.26 3.18 0.67 5.41 0.00 -0.57 -3.17 121.76 124.02 3kgw s ALA 235 Ca 0.52 -1.65 -0.16 0.00 0.00 0.00 0.00 51.96 50.68 3kgw s ALA 235 Cb -0.24 -0.79 0.01 0.00 0.00 0.00 0.00 23.12 22.10 3kgw s ALA 235 CO 0.65 0.26 1.15 -2.14 0.00 0.00 0.00 175.76 175.68 3kgw s PRO 236 N -3.68 2.61 0.66 0.00 0.02 -1.26 -3.53 135.00 129.82 3kgw s PRO 236 Ca 0.32 1.58 -0.16 0.00 0.02 0.00 0.00 61.00 62.75 3kgw s PRO 236 Cb -0.06 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.55 3kgw s PRO 236 CO 0.20 -1.43 1.17 -2.14 -0.33 0.00 0.00 177.00 174.47 3kgw s PRO 237 N -3.90 2.63 0.00 5.54 0.02 -1.26 -4.33 135.00 133.71 3kgw s PRO 237 Ca 0.71 1.65 0.00 0.00 0.02 0.00 0.00 61.00 63.38 3kgw s PRO 237 Cb -0.25 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.37 3kgw s PRO 237 CO 0.41 -1.43 0.00 0.41 -0.33 0.00 0.00 177.00 176.06 3kgw n GLY 238 N 0.11 1.24 3.22 0.52 0.00 -1.26 -5.02 105.19 104.00 3kgw n GLY 238 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.50 1.26 0.22 -0.61 -4.36 -1.20 -2.19 121.20 113.81 3kgw s ILE 239 Ca 0.00 -1.66 0.05 0.00 -0.26 0.00 0.00 60.65 58.79 3kgw s ILE 239 Cb 0.00 -1.45 -0.05 0.00 1.25 0.00 0.00 42.46 42.21 3kgw s ILE 239 CO 0.00 -0.41 -0.07 -0.44 0.24 0.00 0.00 174.94 174.26 3kgw s SER 240 N -2.36 2.18 -0.09 4.36 0.01 -0.42 -2.29 113.70 115.10 3kgw s SER 240 Ca 0.07 -1.12 0.04 0.00 1.31 0.00 0.00 55.95 56.25 3kgw s SER 240 Cb -0.05 -0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.10 3kgw s SER 240 CO 0.03 -0.36 -0.20 -0.76 0.41 0.00 0.00 173.24 172.35 3kgw s LEU 241 N -3.31 2.32 0.01 2.44 1.02 -0.38 -1.17 118.68 119.62 3kgw s LEU 241 Ca 0.25 -0.44 -0.04 0.00 0.02 0.00 0.00 54.13 53.92 3kgw s LEU 241 Cb 0.03 -1.46 -0.01 0.00 0.02 0.00 0.00 46.19 44.77 3kgw s LEU 241 CO 0.07 0.22 0.06 -0.51 0.02 0.00 0.00 176.35 176.21 3kgw s ILE 242 N 0.03 0.10 -0.05 -0.59 2.07 -0.40 -1.43 121.20 120.93 3kgw s ILE 242 Ca -0.08 -0.84 -0.04 0.00 -1.41 0.00 0.00 60.65 58.28 3kgw s ILE 242 Cb -0.15 -0.43 0.01 0.00 0.13 0.00 0.00 42.46 42.03 3kgw s ILE 242 CO 0.05 -0.46 0.13 -0.55 -1.91 0.00 0.00 174.94 172.19 3kgw s SER 243 N -1.52 -0.13 -0.05 4.50 0.15 -0.49 -1.34 113.70 114.82 3kgw s SER 243 Ca -0.14 0.25 0.04 0.00 0.70 0.00 0.00 55.95 56.80 3kgw s SER 243 Cb -0.08 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 3kgw s SER 243 CO -0.00 -0.05 -0.16 -0.36 1.20 0.00 0.00 173.24 173.86 3kgw s PHE 244 N 0.18 1.71 0.60 3.44 0.40 -0.22 -1.87 117.98 122.21 3kgw s PHE 244 Ca -0.01 -0.54 -0.06 0.00 -0.60 0.00 0.00 56.93 55.73 3kgw s PHE 244 Cb -0.02 -1.17 0.13 0.00 0.51 0.00 0.00 43.02 42.47 3kgw s PHE 244 CO -0.00 -0.21 0.81 0.27 0.70 0.00 0.00 175.22 176.79 3kgw n ASN 245 N 3.31 0.54 -0.17 1.36 6.94 -0.20 -4.24 115.26 122.81 3kgw n ASN 245 Ca -0.19 -1.59 -0.04 0.00 -0.02 0.00 0.00 54.58 52.74 3kgw n ASN 245 Cb 0.53 -0.58 0.14 0.00 -2.36 0.00 0.00 39.78 37.51 3kgw n ASN 245 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3kgw h ASP 246 N -0.80 0.87 -0.43 0.53 3.32 -1.98 0.13 116.42 118.05 3kgw h ASP 246 Ca -0.27 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 56.57 3kgw h ASP 246 Cb 0.85 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 3kgw h ASP 246 CO 0.23 0.86 0.10 0.11 -1.72 0.00 0.00 179.24 178.82 3kgw h LYS 247 N 0.88 0.70 -0.45 3.56 6.56 -1.94 -0.41 116.57 125.48 3kgw h LYS 247 Ca 0.19 -0.17 -0.09 0.00 -1.06 0.00 0.00 60.65 59.51 3kgw h LYS 247 Cb 0.34 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.89 3kgw h LYS 247 CO 0.00 0.71 -0.09 0.00 -2.06 0.00 0.00 179.45 178.02 3kgw h ALA 248 N 0.96 0.61 -0.73 3.86 0.00 -1.78 -2.68 119.26 119.50 3kgw h ALA 248 Ca 0.13 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.79 3kgw h ALA 248 Cb 0.33 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 3kgw h ALA 248 CO 0.00 0.48 0.42 -0.22 0.00 0.00 0.00 179.25 179.94 3kgw h LYS 249 N 0.68 0.74 -0.68 0.00 3.64 -0.59 -1.96 116.57 118.40 3kgw h LYS 249 Ca 0.12 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3kgw h LYS 249 Cb 0.62 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 3kgw h LYS 249 CO 0.04 0.49 0.43 -0.92 -2.27 0.00 0.00 179.45 177.23 3kgw h TYR 250 N 0.77 0.82 -0.92 1.91 3.20 -0.84 0.78 116.97 122.68 3kgw h TYR 250 Ca 0.33 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 3kgw h TYR 250 Cb 0.21 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 3kgw h TYR 250 CO -0.07 0.48 0.52 -0.22 -1.64 0.00 0.00 178.16 177.24 3kgw h LYS 251 N 0.86 1.27 0.16 1.82 1.63 -1.06 -1.77 116.57 119.49 3kgw h LYS 251 Ca 0.27 -0.14 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 3kgw h LYS 251 Cb -0.02 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.35 3kgw h LYS 251 CO -0.09 0.92 -0.08 0.28 -3.45 0.00 0.00 179.45 177.03 3kgw h VAL 252 N 1.28 0.96 0.00 2.00 2.07 -0.80 -3.27 116.25 118.48 3kgw h VAL 252 Ca 0.33 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3kgw h VAL 252 Cb 0.00 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3kgw h VAL 252 CO -0.06 0.22 0.00 -1.22 0.02 0.00 0.00 177.57 176.53 3kgw n TYR 253 N -4.96 0.00 -0.25 1.57 4.02 0.21 -2.84 117.16 114.92 3kgw n TYR 253 Ca -0.08 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.91 3kgw n TYR 253 Cb 0.26 -0.37 0.27 0.00 -0.02 0.00 0.00 39.34 39.48 3kgw n TYR 253 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3kgw n SER 254 N -1.37 3.62 -4.71 7.72 3.41 -0.67 -5.05 113.62 116.57 3kgw n SER 254 Ca 0.08 -1.99 -0.35 0.00 -0.26 0.00 0.00 58.87 56.35 3kgw n SER 254 Cb 0.20 -0.39 0.10 0.00 -0.26 0.00 0.00 64.21 63.85 3kgw n SER 254 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3kgw s ARG 255 N -1.04 2.07 -0.09 4.33 0.52 -1.13 -4.98 118.95 118.62 3kgw s ARG 255 Ca 0.41 1.90 -0.21 0.00 -0.52 0.00 0.00 55.73 57.30 3kgw s ARG 255 Cb 0.22 -1.81 -0.28 0.00 0.52 0.00 0.00 34.95 33.59 3kgw s ARG 255 CO 0.28 -1.92 0.73 0.87 0.02 0.00 0.00 175.30 175.28 3kgw h LYS 256 N -0.22 0.21 -6.20 3.54 1.57 -1.94 -3.47 116.57 110.06 3kgw h LYS 256 Ca -0.48 -0.35 -0.54 0.00 -1.87 0.00 0.00 60.65 57.41 3kgw h LYS 256 Cb 1.31 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 33.68 3kgw h LYS 256 CO 0.49 1.17 -0.60 0.95 -0.57 0.00 0.00 179.45 180.90 3kgw s THR 257 N -2.40 3.80 0.49 -0.16 -4.23 -1.26 -5.12 115.64 106.76 3kgw s THR 257 Ca -0.17 -1.72 -0.22 0.00 -1.18 0.00 0.00 61.69 58.40 3kgw s THR 257 Cb 0.01 -3.05 -0.07 0.00 1.34 0.00 0.00 72.50 70.73 3kgw s THR 257 CO 0.77 -0.36 1.20 -0.54 -0.54 0.00 0.00 174.62 175.16 3kgw s LYS 258 N -3.74 3.58 0.96 3.99 1.02 -1.26 -5.02 119.74 119.27 3kgw s LYS 258 Ca 0.32 1.86 -0.12 0.00 0.02 0.00 0.00 55.97 58.06 3kgw s LYS 258 Cb -0.07 -2.33 0.17 0.00 -0.52 0.00 0.00 37.83 35.08 3kgw s LYS 258 CO 0.22 -0.73 1.09 -1.25 -0.92 0.00 0.00 175.35 173.76 3kgw s PRO 259 N -2.80 0.73 0.35 -1.68 0.04 -1.26 -4.93 135.00 125.45 3kgw s PRO 259 Ca 0.66 0.90 0.17 0.00 0.04 0.00 0.00 61.00 62.77 3kgw s PRO 259 Cb -0.31 -1.74 0.59 0.00 0.04 0.00 0.00 34.50 33.08 3kgw s PRO 259 CO 0.37 -2.63 1.69 -0.39 0.04 0.00 0.00 177.00 176.08 3kgw h VAL 260 N -1.83 0.97 -3.60 -0.36 -1.51 -1.96 -3.41 116.25 104.55 3kgw h VAL 260 Ca -0.51 -1.67 -0.64 0.00 -1.23 0.00 0.00 66.70 62.64 3kgw h VAL 260 Cb 1.29 2.00 -0.21 0.00 -2.13 0.00 0.00 31.29 32.25 3kgw h VAL 260 CO 0.52 0.42 -0.60 -0.55 -1.23 0.00 0.00 177.57 176.13 3kgw s SER 261 N -6.50 5.31 0.10 4.19 0.15 -1.26 -4.98 113.70 110.71 3kgw s SER 261 Ca 0.00 -0.13 -0.14 0.00 0.70 0.00 0.00 55.95 56.38 3kgw s SER 261 Cb 0.11 -1.95 -0.09 0.00 -1.71 0.00 0.00 66.02 62.38 3kgw s SER 261 CO 0.70 0.01 1.41 0.15 1.20 0.00 0.00 173.24 176.71 3kgw h PHE 262 N 7.91 0.90 -0.79 3.44 3.04 -1.98 -2.79 116.94 126.67 3kgw h PHE 262 Ca -0.37 -0.29 0.19 0.00 3.98 0.00 0.00 57.97 61.48 3kgw h PHE 262 Cb 1.18 -0.18 -0.13 0.00 2.56 0.00 0.00 35.95 39.37 3kgw h PHE 262 CO 0.66 1.05 0.06 -0.92 -2.02 0.00 0.00 178.31 177.14 3kgw h TYR 263 N 0.48 0.05 -0.35 0.41 3.20 -1.99 -2.49 116.97 116.29 3kgw h TYR 263 Ca 0.04 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3kgw h TYR 263 Cb 0.93 0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.31 3kgw h TYR 263 CO 0.07 -0.23 0.00 0.25 -1.64 0.00 0.00 178.16 176.61 3kgw n THR 264 N -5.31 1.43 -2.03 1.81 -2.24 -1.25 -4.87 114.28 101.82 3kgw n THR 264 Ca 0.16 -1.27 -0.42 0.00 -2.27 0.00 0.00 64.05 60.25 3kgw n THR 264 Cb 0.52 0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 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 -1.26 6.66 0.38 3.42 -1.08 -0.94 -4.88 116.67 118.96 3kgw s ASP 265 Ca 0.31 2.19 0.12 0.00 -0.52 0.00 0.00 52.55 54.65 3kgw s ASP 265 Cb 0.20 -2.53 0.74 0.00 -1.46 0.00 0.00 42.92 39.87 3kgw s ASP 265 CO 0.15 -0.93 1.85 0.40 0.52 0.00 0.00 175.17 177.15 3kgw h ILE 266 N 5.60 1.24 -0.96 4.11 1.08 -1.90 -1.88 117.51 124.80 3kgw h ILE 266 Ca -0.38 -1.16 0.09 0.00 -0.39 0.00 0.00 64.86 63.02 3kgw h ILE 266 Cb 1.17 1.59 -0.07 0.00 -3.07 0.00 0.00 36.82 36.44 3kgw h ILE 266 CO 0.96 0.33 0.62 0.74 -0.69 0.00 0.00 178.15 180.11 3kgw h THR 267 N 0.04 1.00 0.24 -0.27 2.02 -1.97 0.36 112.91 114.33 3kgw h THR 267 Ca 0.00 -0.35 -0.32 0.00 0.77 0.00 0.00 66.41 66.51 3kgw h THR 267 Cb 0.60 -0.11 0.04 0.00 -1.74 0.00 0.00 68.15 66.94 3kgw h THR 267 CO 0.04 0.19 -1.42 1.88 0.37 0.00 0.00 175.52 176.58 3kgw h TYR 268 N 1.01 0.93 -0.47 3.16 -1.99 -1.76 -3.28 116.97 114.57 3kgw h TYR 268 Ca 0.44 -0.68 -0.07 0.00 2.00 0.00 0.00 58.73 60.43 3kgw h TYR 268 Cb 0.34 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 39.02 3kgw h TYR 268 CO -0.00 1.54 0.03 -0.07 -0.00 0.00 0.00 178.16 179.66 3kgw h LEU 269 N 0.08 0.73 -1.00 3.88 3.38 -1.19 -1.98 115.31 119.21 3kgw h LEU 269 Ca -0.25 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.61 3kgw h LEU 269 Cb 2.11 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 42.60 3kgw h LEU 269 CO 0.26 0.78 0.65 0.00 0.09 0.00 0.00 178.44 180.22 3kgw h ALA 270 N 1.31 1.35 -0.04 1.53 0.00 -1.03 -1.64 119.26 120.73 3kgw h ALA 270 Ca 0.15 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3kgw h ALA 270 Cb 0.40 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.86 3kgw h ALA 270 CO 0.01 0.51 -0.50 0.87 0.00 0.00 0.00 179.25 180.14 3kgw h LYS 271 N 1.23 0.42 -0.77 0.00 1.57 -1.52 0.20 116.57 117.69 3kgw h LYS 271 Ca 0.41 -0.39 0.15 0.00 -1.87 0.00 0.00 60.65 58.95 3kgw h LYS 271 Cb 0.06 0.10 -0.10 0.00 0.08 0.00 0.00 32.23 32.37 3kgw h LYS 271 CO -0.14 1.04 0.32 1.25 -0.57 0.00 0.00 179.45 181.35 3kgw h LEU 272 N -0.07 0.30 -1.07 2.94 5.85 -1.16 -1.96 115.31 120.15 3kgw h LEU 272 Ca -0.05 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3kgw h LEU 272 Cb 1.19 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3kgw h LEU 272 CO 0.10 0.11 0.00 0.79 -0.34 0.00 0.00 178.44 179.10 3kgw n TRP 273 N -4.99 0.28 -2.91 1.25 7.02 -0.64 -4.85 117.44 112.61 3kgw n TRP 273 Ca 0.15 -0.14 -0.15 0.00 -1.02 0.00 0.00 57.50 56.34 3kgw n TRP 273 Cb 0.43 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.36 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 1.06 -0.07 0.16 6.99 0.00 -0.74 -4.94 105.19 107.67 3kgw n GLY 274 Ca 0.14 -0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.72 0.00 -2.75 0.00 1.02 -1.26 -4.67 120.64 112.27 3kgw n GLU 276 Ca 0.18 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 57.02 3kgw n GLU 276 Cb 0.25 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.64 3kgw n GLU 276 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3kgw s THR 279 N 1.01 4.77 0.67 2.62 -1.32 -1.26 -5.09 115.64 117.04 3kgw s THR 279 Ca 0.00 0.65 -0.13 0.00 -1.21 0.00 0.00 61.69 61.00 3kgw s THR 279 Cb 0.00 -3.75 0.00 0.00 -1.51 0.00 0.00 72.50 67.24 3kgw s THR 279 CO 0.00 -0.59 1.08 -0.60 -2.21 0.00 0.00 174.62 172.30 3kgw s ARG 280 N -4.01 2.85 -0.03 7.08 3.52 -1.26 -4.81 118.95 122.30 3kgw s ARG 280 Ca 0.52 1.21 -0.11 0.00 -0.13 0.00 0.00 55.73 57.22 3kgw s ARG 280 Cb -0.10 -1.97 0.02 0.00 -1.56 0.00 0.00 34.95 31.33 3kgw s ARG 280 CO 0.33 -1.18 0.24 0.08 -0.81 0.00 0.00 175.30 173.96 3kgw s VAL 281 N -2.62 0.05 0.32 7.11 1.01 -1.25 -4.97 120.40 120.06 3kgw s VAL 281 Ca 0.63 -0.43 -0.28 0.00 0.00 0.00 0.00 61.98 61.91 3kgw s VAL 281 Cb -0.17 -0.49 -0.09 0.00 0.00 0.00 0.00 36.38 35.62 3kgw s VAL 281 CO 0.46 -0.24 1.13 0.27 0.00 0.00 0.00 175.10 176.72 3kgw s ILE 282 N -0.97 3.38 0.00 2.22 -0.00 -1.26 -4.17 121.20 120.39 3kgw s ILE 282 Ca -0.11 1.29 0.00 0.00 -0.00 0.00 0.00 60.65 61.84 3kgw s ILE 282 Cb -0.05 -3.79 0.00 0.00 -0.00 0.00 0.00 42.46 38.62 3kgw s ILE 282 CO 0.02 0.24 0.00 1.57 -0.00 0.00 0.00 174.94 176.77 3kgw n HIS 283 N 0.76 0.00 -4.51 1.37 -0.00 -1.26 -5.04 115.22 106.54 3kgw n HIS 283 Ca 0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.47 3kgw n HIS 283 Cb 0.45 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.34 3kgw n HIS 283 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 3kgw s HIS 284 N 0.12 2.40 -0.27 1.57 -3.43 -1.26 -5.10 115.29 109.32 3kgw s HIS 284 Ca 0.00 -0.46 -0.29 0.00 -0.80 0.00 0.00 55.06 53.51 3kgw s HIS 284 Cb 0.00 -1.32 0.01 0.00 -1.43 0.00 0.00 32.58 29.84 3kgw s HIS 284 CO 0.00 0.60 1.05 0.99 -2.00 0.00 0.00 174.74 175.38 3kgw s THR 285 N -2.58 4.60 0.60 -5.38 2.01 -1.26 -5.02 115.64 108.62 3kgw s THR 285 Ca 0.32 1.87 -0.16 0.00 0.31 0.00 0.00 61.69 64.03 3kgw s THR 285 Cb 0.01 -4.35 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 3kgw s THR 285 CO 0.17 -0.32 1.08 0.42 -0.69 0.00 0.00 174.62 175.28 3kgw s THR 286 N 3.40 3.57 -1.22 -0.82 -4.23 -1.26 -4.93 115.64 110.15 3kgw s THR 286 Ca 0.44 0.77 -0.19 0.00 -1.18 0.00 0.00 61.69 61.53 3kgw s THR 286 Cb -0.14 -3.29 0.07 0.00 1.34 0.00 0.00 72.50 70.49 3kgw s THR 286 CO 0.10 -0.41 1.65 -2.16 -0.54 0.00 0.00 174.62 173.26 3kgw s PRO 287 N -3.97 3.90 0.20 3.99 0.04 -1.26 -4.86 135.00 133.03 3kgw s PRO 287 Ca 0.66 -1.82 -0.17 0.00 0.04 0.00 0.00 61.00 59.70 3kgw s PRO 287 Cb -0.18 -5.46 0.18 0.00 0.04 0.00 0.00 34.50 29.08 3kgw s PRO 287 CO 0.37 -2.21 1.61 0.28 0.04 0.00 0.00 177.00 177.08 3kgw h VAL 288 N 5.81 0.27 -0.72 -0.36 2.07 -1.96 -0.69 116.25 120.67 3kgw h VAL 288 Ca 0.38 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.88 3kgw h VAL 288 Cb 0.91 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3kgw h VAL 288 CO 1.44 0.00 0.36 0.74 0.02 0.00 0.00 177.57 180.13 3kgw h THR 289 N -0.09 1.23 -0.68 2.57 2.02 -1.95 -0.74 112.91 115.27 3kgw h THR 289 Ca 0.27 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 3kgw h THR 289 Cb 0.51 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 3kgw h THR 289 CO -0.66 0.27 0.34 0.28 0.37 0.00 0.00 175.52 176.12 3kgw h SER 290 N 1.01 0.87 -0.49 4.18 0.02 -1.66 -0.88 113.55 116.60 3kgw h SER 290 Ca 0.25 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.04 3kgw h SER 290 Cb 0.09 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3kgw h SER 290 CO -0.03 0.73 0.03 -0.07 -1.14 0.00 0.00 176.83 176.34 3kgw h LEU 291 N 0.96 0.82 -0.34 5.07 3.38 -0.66 0.84 115.31 125.38 3kgw h LEU 291 Ca 0.24 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3kgw h LEU 291 Cb 0.08 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3kgw h LEU 291 CO -0.03 0.91 0.12 1.88 0.09 0.00 0.00 178.44 181.41 3kgw h TYR 292 N 0.71 0.21 -0.45 1.13 0.05 -0.49 -0.12 116.97 118.01 3kgw h TYR 292 Ca 0.14 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.95 3kgw h TYR 292 Cb 0.47 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 3kgw h TYR 292 CO 0.04 0.09 0.29 0.00 -1.05 0.00 0.00 178.16 177.53 3kgw h LEU 294 N 0.59 0.86 -0.38 0.00 5.85 -0.53 -0.69 115.31 121.01 3kgw h LEU 294 Ca 0.17 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.76 3kgw h LEU 294 Cb -0.05 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.71 3kgw h LEU 294 CO -0.05 0.82 0.08 -0.09 -0.34 0.00 0.00 178.44 178.86 3kgw h ARG 295 N 0.86 0.20 -0.68 1.25 1.12 -0.75 -0.29 114.38 116.09 3kgw h ARG 295 Ca 0.20 -0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 58.99 3kgw h ARG 295 Cb 0.25 -0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 30.13 3kgw h ARG 295 CO -0.01 0.14 0.14 0.93 -3.11 0.00 0.00 179.97 178.06 3kgw h GLU 296 N 0.21 1.10 -0.46 0.20 4.39 -1.01 0.44 114.58 119.45 3kgw h GLU 296 Ca 0.18 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3kgw h GLU 296 Cb 0.20 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3kgw h GLU 296 CO -0.23 0.99 0.29 0.77 -1.16 0.00 0.00 179.01 179.67 3kgw h SER 297 N 1.04 0.53 -0.35 1.42 0.02 -0.67 -1.10 113.55 114.45 3kgw h SER 297 Ca 0.21 -0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 61.01 3kgw h SER 297 Cb 0.39 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 3kgw h SER 297 CO 0.01 0.40 -0.24 -0.07 -1.14 0.00 0.00 176.83 175.80 3kgw h LEU 298 N 0.61 0.87 -0.84 5.07 3.38 -0.79 -2.44 115.31 121.17 3kgw h LEU 298 Ca 0.17 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.82 3kgw h LEU 298 Cb -0.04 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 3kgw h LEU 298 CO -0.03 1.06 0.56 0.00 0.09 0.00 0.00 178.44 180.12 3kgw h ALA 299 N 1.00 1.08 -0.35 1.53 0.00 -0.64 -0.77 119.26 121.10 3kgw h ALA 299 Ca 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3kgw h ALA 299 Cb 0.77 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3kgw h ALA 299 CO 0.06 0.46 0.12 -0.07 0.00 0.00 0.00 179.25 179.81 3kgw h LEU 300 N 1.12 0.51 -0.57 0.00 3.38 -0.94 -1.16 115.31 117.66 3kgw h LEU 300 Ca 0.32 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3kgw h LEU 300 Cb -0.10 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3kgw h LEU 300 CO -0.08 0.57 0.24 0.40 0.09 0.00 0.00 178.44 179.67 3kgw h ILE 301 N 0.42 1.22 -0.91 1.22 2.04 -1.26 -1.42 117.51 118.83 3kgw h ILE 301 Ca 0.11 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 3kgw h ILE 301 Cb 0.24 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3kgw h ILE 301 CO -0.00 0.26 0.53 0.00 0.00 0.00 0.00 178.15 178.93 3kgw h ALA 302 N 1.09 1.23 -0.29 1.87 0.00 -0.97 0.42 119.26 122.60 3kgw h ALA 302 Ca 0.19 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3kgw h ALA 302 Cb 0.17 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3kgw h ALA 302 CO -0.02 0.65 -0.26 1.49 0.00 0.00 0.00 179.25 181.11 3kgw h GLU 303 N 1.25 0.69 -0.30 0.00 4.81 -0.96 -3.20 114.58 116.88 3kgw h GLU 303 Ca 0.32 -0.35 -0.12 0.00 -0.13 0.00 0.00 59.36 59.08 3kgw h GLU 303 Cb -0.03 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 3kgw h GLU 303 CO -0.06 0.96 -0.28 1.96 -0.73 0.00 0.00 179.01 180.87 3kgw h GLN 304 N 0.44 0.72 0.00 1.92 4.20 -1.04 -3.50 115.11 117.84 3kgw h GLN 304 Ca 0.05 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.39 3kgw h GLN 304 Cb 0.82 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.61 3kgw h GLN 304 CO 0.07 0.99 0.00 0.41 -0.67 0.00 0.00 178.83 179.62 3kgw n GLY 305 N 0.14 0.40 0.16 3.46 0.00 0.15 -4.54 105.19 104.96 3kgw n GLY 305 Ca -0.04 -1.41 -0.05 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.18 -0.81 0.99 3.38 -1.89 -1.96 115.31 114.84 3kgw h LEU 306 Ca 0.00 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.15 3kgw h LEU 306 Cb 0.00 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 3kgw h LEU 306 CO 0.00 -0.05 0.46 -0.33 0.09 0.00 0.00 178.44 178.61 3kgw h GLU 307 N 0.08 0.77 -0.37 1.13 3.07 -1.96 0.12 114.58 117.42 3kgw h GLU 307 Ca 0.18 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.89 3kgw h GLU 307 Cb 0.26 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 3kgw h GLU 307 CO -0.32 0.51 -0.19 -0.91 -1.40 0.00 0.00 179.01 176.69 3kgw h ASN 308 N 0.79 0.72 -0.37 1.42 2.35 -1.71 -1.35 115.58 117.43 3kgw h ASN 308 Ca 0.38 -0.24 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 3kgw h ASN 308 Cb 0.32 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3kgw h ASN 308 CO -0.23 0.91 0.08 0.00 -1.65 0.00 0.00 177.43 176.53 3kgw h TRP 310 N 0.45 0.80 -0.39 0.00 6.55 -0.62 -2.60 115.95 120.13 3kgw h TRP 310 Ca 0.11 -0.04 0.01 0.00 0.95 0.00 0.00 58.89 59.93 3kgw h TRP 310 Cb 0.33 -0.25 -0.02 0.00 -0.86 0.00 0.00 29.16 28.36 3kgw h TRP 310 CO 0.02 0.61 0.24 -0.09 -1.05 0.00 0.00 178.44 178.18 3kgw h ARG 311 N 0.75 0.48 -0.15 0.49 2.43 -1.07 -1.66 114.38 115.65 3kgw h ARG 311 Ca 0.19 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 3kgw h ARG 311 Cb 0.11 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3kgw h ARG 311 CO -0.02 0.32 -0.14 0.07 -1.51 0.00 0.00 179.97 178.68 3kgw h ARG 312 N 0.50 0.24 -0.17 0.20 -0.00 -1.10 -0.44 114.38 113.61 3kgw h ARG 312 Ca 0.15 -0.06 -0.07 0.00 -0.00 0.00 0.00 59.98 60.00 3kgw h ARG 312 Cb -0.02 -0.03 -0.00 0.00 -0.00 0.00 0.00 29.97 29.91 3kgw h ARG 312 CO -0.05 0.39 -0.17 0.45 -0.00 0.00 0.00 179.97 180.59 3kgw h HIS 313 N 0.23 0.50 -0.76 4.08 3.86 -1.14 -1.10 115.15 120.81 3kgw h HIS 313 Ca 0.05 -0.15 0.02 0.00 -1.16 0.00 0.00 60.37 59.12 3kgw h HIS 313 Cb 0.40 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.72 3kgw h HIS 313 CO 0.01 0.79 0.50 0.00 0.86 0.00 0.00 177.93 180.08 3kgw h ARG 314 N 0.06 0.97 -0.16 2.45 3.08 -0.98 -1.80 114.38 118.00 3kgw h ARG 314 Ca 0.03 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3kgw h ARG 314 Cb 0.71 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3kgw h ARG 314 CO 0.04 0.64 0.04 0.93 -1.07 0.00 0.00 179.97 180.55 3kgw h GLU 315 N 1.00 0.27 -0.39 0.04 5.08 -1.05 -0.97 114.58 118.56 3kgw h GLU 315 Ca 0.29 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3kgw h GLU 315 Cb -0.08 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3kgw h GLU 315 CO -0.08 0.42 0.19 0.00 -1.00 0.00 0.00 179.01 178.55 3kgw h ALA 316 N 0.84 0.51 -0.65 3.43 0.00 -1.15 -2.49 119.26 119.75 3kgw h ALA 316 Ca 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kgw h ALA 316 Cb 0.28 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3kgw h ALA 316 CO 0.00 0.06 0.41 1.15 0.00 0.00 0.00 179.25 180.87 3kgw h THR 317 N 0.50 1.18 -0.63 0.00 2.02 -1.28 -1.00 112.91 113.70 3kgw h THR 317 Ca 0.14 -0.39 0.05 0.00 0.77 0.00 0.00 66.41 66.98 3kgw h THR 317 Cb 0.11 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 66.73 3kgw h THR 317 CO -0.02 0.19 0.35 0.00 0.37 0.00 0.00 175.52 176.41 3kgw h ALA 318 N 1.21 0.84 -0.40 6.16 0.00 -1.02 0.12 119.26 126.18 3kgw h ALA 318 Ca 0.24 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3kgw h ALA 318 Cb -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3kgw h ALA 318 CO -0.05 0.04 0.16 1.25 0.00 0.00 0.00 179.25 180.65 3kgw h HIS 319 N 0.66 0.62 -0.10 0.00 6.17 -1.18 -1.20 115.15 120.12 3kgw h HIS 319 Ca 0.28 -0.05 0.01 0.00 0.71 0.00 0.00 60.37 61.32 3kgw h HIS 319 Cb 0.15 -0.18 -0.01 0.00 2.52 0.00 0.00 27.41 29.89 3kgw h HIS 319 CO -0.08 0.55 0.03 1.25 0.71 0.00 0.00 177.93 180.39 3kgw h LEU 320 N 0.50 0.02 -1.00 0.26 5.85 -0.77 -2.15 115.31 118.03 3kgw h LEU 320 Ca 0.13 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.88 3kgw h LEU 320 Cb 0.20 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3kgw h LEU 320 CO -0.01 0.03 0.66 0.45 -0.34 0.00 0.00 178.44 179.23 3kgw h HIS 321 N 0.07 1.25 -0.29 1.25 3.86 -0.60 -0.17 115.15 120.53 3kgw h HIS 321 Ca 0.04 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.31 3kgw h HIS 321 Cb 0.03 -0.42 -0.03 0.00 1.06 0.00 0.00 27.41 28.05 3kgw h HIS 321 CO -0.11 0.78 0.11 -0.22 0.86 0.00 0.00 177.93 179.36 3kgw h LYS 322 N 1.35 0.24 -0.50 2.45 3.64 -1.07 -1.27 116.57 121.40 3kgw h LYS 322 Ca 0.37 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.75 3kgw h LYS 322 Cb -0.14 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 3kgw h LYS 322 CO -0.08 0.16 0.31 0.45 -2.27 0.00 0.00 179.45 178.02 3kgw h HIS 323 N 0.25 0.58 -0.53 1.91 3.86 -0.71 -2.11 115.15 118.41 3kgw h HIS 323 Ca 0.12 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.30 3kgw h HIS 323 Cb 0.08 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 3kgw h HIS 323 CO -0.12 0.35 0.14 -0.07 0.86 0.00 0.00 177.93 179.09 3kgw h LEU 324 N 0.62 0.80 -0.30 2.43 3.38 -0.75 -2.19 115.31 119.29 3kgw h LEU 324 Ca 0.20 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kgw h LEU 324 Cb -0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3kgw h LEU 324 CO -0.07 0.81 0.20 1.56 0.09 0.00 0.00 178.44 181.03 3kgw h GLN 325 N 0.74 0.40 0.00 1.13 4.20 -1.22 -2.05 115.11 118.31 3kgw h GLN 325 Ca 0.17 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 3kgw h GLN 325 Cb 0.32 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3kgw h GLN 325 CO -0.00 0.28 -0.19 0.93 -0.67 0.00 0.00 178.83 179.17 3kgw h GLU 326 N 0.41 0.00 -0.30 1.46 5.08 -1.19 -2.80 114.58 117.23 3kgw h GLU 326 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3kgw h GLU 326 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3kgw h GLU 326 CO -0.02 0.19 0.00 0.00 -1.00 0.00 0.00 179.01 178.18 3kgw n MET 327 N -4.03 1.99 -0.62 2.33 0.00 -0.84 -4.96 117.12 110.99 3kgw n MET 327 Ca -0.02 -1.50 0.00 0.00 0.00 0.00 0.00 57.70 56.17 3kgw n MET 327 Cb 0.27 -1.40 0.00 0.00 0.00 0.00 0.00 33.22 32.09 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 1.23 0.76 3.78 3.17 0.00 -1.06 -5.06 105.19 108.02 3kgw n GLY 328 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 4.40 -0.01 0.99 1.43 -0.78 -5.03 118.68 119.68 3kgw s LEU 329 Ca 0.00 1.73 0.02 0.00 -1.03 0.00 0.00 54.13 54.85 3kgw s LEU 329 Cb 0.00 -3.80 -0.03 0.00 0.03 0.00 0.00 46.19 42.39 3kgw s LEU 329 CO 0.00 0.01 -0.03 -0.54 0.23 0.00 0.00 176.35 176.02 3kgw s LYS 330 N -1.85 2.69 0.05 1.70 -0.14 -1.26 -4.23 119.74 116.69 3kgw s LYS 330 Ca 0.46 -0.65 -0.30 0.00 -1.36 0.00 0.00 55.97 54.12 3kgw s LYS 330 Cb -0.19 -2.59 -0.04 0.00 -1.68 0.00 0.00 37.83 33.32 3kgw s LYS 330 CO 0.24 0.62 0.96 -0.06 -0.76 0.00 0.00 175.35 176.35 3kgw s PHE 331 N -1.02 3.73 0.32 3.18 0.08 -1.26 -0.96 117.98 122.03 3kgw s PHE 331 Ca 0.18 1.73 0.01 0.00 0.12 0.00 0.00 56.93 58.97 3kgw s PHE 331 Cb -0.11 -3.07 0.52 0.00 -0.57 0.00 0.00 43.02 39.79 3kgw s PHE 331 CO 0.08 0.10 1.89 0.35 -0.10 0.00 0.00 175.22 177.54 3kgw h PHE 332 N 6.23 0.74 -3.58 0.36 3.57 -1.65 -3.41 116.94 119.21 3kgw h PHE 332 Ca -0.42 -0.05 -0.62 0.00 3.53 0.00 0.00 57.97 60.41 3kgw h PHE 332 Cb 1.21 -0.23 -0.13 0.00 2.79 0.00 0.00 35.95 39.60 3kgw h PHE 332 CO 0.66 0.61 0.02 0.08 -2.23 0.00 0.00 178.31 177.45 3kgw s VAL 333 N -5.27 5.03 0.11 1.41 1.01 -1.26 -4.91 120.40 116.53 3kgw s VAL 333 Ca -0.09 0.79 -0.12 0.00 0.00 0.00 0.00 61.98 62.56 3kgw s VAL 333 Cb 0.16 -3.89 -0.11 0.00 0.00 0.00 0.00 36.38 32.53 3kgw s VAL 333 CO 0.78 -0.02 1.37 0.11 0.00 0.00 0.00 175.10 177.34 3kgw h LYS 334 N 8.13 0.84 -5.99 2.72 6.56 -1.82 -3.43 116.57 123.59 3kgw h LYS 334 Ca -0.28 -0.58 -0.59 0.00 -1.06 0.00 0.00 60.65 58.14 3kgw h LYS 334 Cb 1.13 0.09 -0.08 0.00 -0.57 0.00 0.00 32.23 32.80 3kgw h LYS 334 CO 0.75 1.20 0.63 0.34 -2.06 0.00 0.00 179.45 180.30 3kgw s ASP 335 N -6.97 6.87 0.42 0.86 -1.08 -1.26 -4.95 116.67 110.57 3kgw s ASP 335 Ca -0.11 1.02 0.08 0.00 -0.52 0.00 0.00 52.55 53.02 3kgw s ASP 335 Cb 0.09 -2.48 0.91 0.00 -1.46 0.00 0.00 42.92 39.99 3kgw s ASP 335 CO 0.89 -0.67 2.06 -0.65 0.52 0.00 0.00 175.17 177.32 3kgw h PRO 336 N 7.86 0.47 0.00 4.34 0.11 -1.99 -2.44 132.00 140.35 3kgw h PRO 336 Ca -0.22 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3kgw h PRO 336 Cb 1.08 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3kgw h PRO 336 CO 0.94 0.31 0.00 0.93 -0.21 0.00 0.00 178.00 179.98 3kgw h GLU 337 N 0.49 0.00 -0.54 1.05 4.39 -1.97 -2.35 114.58 115.65 3kgw h GLU 337 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3kgw h GLU 337 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3kgw h GLU 337 CO -0.03 0.00 0.00 0.44 -1.16 0.00 0.00 179.01 178.26 3kgw n ILE 338 N -2.97 1.50 -2.66 3.13 -5.35 -0.92 -4.93 119.36 107.16 3kgw n ILE 338 Ca -0.01 -1.19 -0.43 0.00 -0.27 0.00 0.00 62.75 60.85 3kgw n ILE 338 Cb 0.19 0.26 -0.02 0.00 -1.74 0.00 0.00 39.64 38.32 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 -1.57 4.31 -0.07 6.28 0.52 -0.89 -0.81 118.95 126.72 3kgw s ARG 339 Ca 0.42 1.39 -0.30 0.00 -0.52 0.00 0.00 55.73 56.72 3kgw s ARG 339 Cb 0.26 -3.61 -0.05 0.00 0.52 0.00 0.00 34.95 32.07 3kgw s ARG 339 CO 0.22 -0.53 1.62 -1.17 0.02 0.00 0.00 175.30 175.46 3kgw s LEU 340 N 2.82 4.28 0.37 2.53 2.96 -0.48 -4.68 118.68 126.48 3kgw s LEU 340 Ca 0.46 2.15 0.07 0.00 -0.22 0.00 0.00 54.13 56.59 3kgw s LEU 340 Cb -0.16 -3.53 0.78 0.00 0.50 0.00 0.00 46.19 43.77 3kgw s LEU 340 CO 0.10 -0.94 1.94 -0.65 -1.32 0.00 0.00 176.35 175.49 3kgw h PRO 341 N 9.52 0.69 -0.07 0.98 0.11 -1.90 -3.16 132.00 138.16 3kgw h PRO 341 Ca -0.38 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.51 3kgw h PRO 341 Cb 1.17 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 32.13 3kgw h PRO 341 CO 0.96 0.46 -0.66 1.79 -0.21 0.00 0.00 178.00 180.34 3kgw h THR 342 N 0.71 1.35 -3.29 -1.15 1.35 -1.85 -3.43 112.91 106.60 3kgw h THR 342 Ca 0.34 -1.98 -0.53 0.00 -0.55 0.00 0.00 66.41 63.70 3kgw h THR 342 Cb 0.39 2.28 -0.38 0.00 -1.73 0.00 0.00 68.15 68.71 3kgw h THR 342 CO -0.12 0.60 -0.79 -0.63 -0.25 0.00 0.00 175.52 174.33 3kgw s ILE 343 N -3.52 0.92 -0.16 6.82 1.01 -1.19 -0.22 121.20 124.85 3kgw s ILE 343 Ca -0.12 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 59.96 3kgw s ILE 343 Cb 0.06 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.37 3kgw s ILE 343 CO 0.85 0.14 0.18 -0.89 0.00 0.00 0.00 174.94 175.22 3kgw s THR 344 N 1.72 5.39 -0.25 2.92 2.01 -0.20 -4.40 115.64 122.84 3kgw s THR 344 Ca 0.02 0.30 -0.10 0.00 0.31 0.00 0.00 61.69 62.21 3kgw s THR 344 Cb -0.15 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 3kgw s THR 344 CO -0.07 0.48 0.16 0.42 -0.69 0.00 0.00 174.62 174.91 3kgw s THR 345 N 0.00 5.30 -0.16 -0.82 -4.23 -1.26 -1.93 115.64 112.54 3kgw s THR 345 Ca 0.12 0.16 -0.01 0.00 -1.18 0.00 0.00 61.69 60.78 3kgw s THR 345 Cb -0.12 -3.48 -0.01 0.00 1.34 0.00 0.00 72.50 70.23 3kgw s THR 345 CO 0.01 0.33 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.62 3kgw s VAL 346 N 1.19 3.05 0.21 2.29 1.01 0.16 -1.73 120.40 126.57 3kgw s VAL 346 Ca 0.07 -0.64 -0.32 0.00 0.00 0.00 0.00 61.98 61.10 3kgw s VAL 346 Cb -0.14 -2.32 -0.11 0.00 0.00 0.00 0.00 36.38 33.81 3kgw s VAL 346 CO 0.06 0.49 1.67 -0.89 0.00 0.00 0.00 175.10 176.43 3kgw s THR 347 N 0.80 2.19 0.12 3.92 2.01 -0.14 -0.28 115.64 124.26 3kgw s THR 347 Ca -0.04 0.14 -0.32 0.00 0.31 0.00 0.00 61.69 61.78 3kgw s THR 347 Cb -0.15 -3.09 -0.11 0.00 0.01 0.00 0.00 72.50 69.16 3kgw s THR 347 CO 0.01 0.01 1.82 0.52 -0.69 0.00 0.00 174.62 176.29 3kgw n VAL 348 N 3.79 0.34 -1.87 3.82 0.31 -0.87 -4.53 118.33 119.32 3kgw n VAL 348 Ca 0.15 -0.06 -0.41 0.00 -0.01 0.00 0.00 64.34 64.00 3kgw n VAL 348 Cb 0.36 -2.06 -0.01 0.00 -0.91 0.00 0.00 33.84 31.23 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 2.63 4.17 0.32 5.55 0.04 -1.26 -4.92 135.00 141.52 3kgw s PRO 349 Ca 0.82 2.49 -0.29 0.00 0.04 0.00 0.00 61.00 64.06 3kgw s PRO 349 Cb -0.51 -3.00 -0.11 0.00 0.04 0.00 0.00 34.50 30.91 3kgw s PRO 349 CO 0.38 -0.47 1.56 0.00 0.04 0.00 0.00 177.00 178.52 3kgw n ALA 350 N 0.74 2.49 0.00 8.56 0.00 -1.26 -2.75 120.51 128.29 3kgw n ALA 350 Ca 0.02 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3kgw n ALA 350 Cb 0.40 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.40 3kgw n ALA 350 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kgw n GLY 351 N 1.66 2.16 3.94 0.00 0.00 -1.26 -4.85 105.19 106.84 3kgw n GLY 351 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.31 3.49 -0.37 1.61 2.02 -1.11 -0.85 117.35 119.83 3kgw s TYR 352 Ca 0.00 0.18 -0.19 0.00 -0.37 0.00 0.00 57.07 56.69 3kgw s TYR 352 Cb 0.00 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.85 3kgw s TYR 352 CO 0.00 0.51 0.57 1.21 -1.57 0.00 0.00 175.55 176.27 3kgw s ASN 353 N -3.08 6.34 0.42 2.29 3.84 -1.26 -4.90 114.94 118.59 3kgw s ASN 353 Ca 0.35 -0.07 0.14 0.00 0.21 0.00 0.00 52.86 53.49 3kgw s ASN 353 Cb -0.11 -2.29 1.00 0.00 -0.55 0.00 0.00 41.25 39.30 3kgw s ASN 353 CO 0.28 -0.57 1.93 4.11 -2.79 0.00 0.00 177.10 180.06 3kgw h TRP 354 N 8.55 0.53 -0.81 0.43 5.08 -1.94 -0.97 115.95 126.82 3kgw h TRP 354 Ca -0.27 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 59.71 3kgw h TRP 354 Cb 1.11 -0.17 -0.04 0.00 -3.00 0.00 0.00 29.16 27.07 3kgw h TRP 354 CO 0.72 0.22 0.47 0.00 -1.28 0.00 0.00 178.44 178.57 3kgw h ARG 355 N 0.46 1.11 -0.82 0.12 3.08 -1.99 -1.64 114.38 114.71 3kgw h ARG 355 Ca 0.35 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3kgw h ARG 355 Cb 0.73 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 3kgw h ARG 355 CO -0.12 0.79 0.53 -0.44 -1.07 0.00 0.00 179.97 179.67 3kgw h ASP 356 N 1.13 0.95 0.05 7.04 3.32 -1.60 -0.85 116.42 126.46 3kgw h ASP 356 Ca 0.29 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 3kgw h ASP 356 Cb -0.01 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.30 3kgw h ASP 356 CO -0.05 0.70 -0.03 0.40 -1.72 0.00 0.00 179.24 178.54 3kgw h ILE 357 N 1.11 1.13 -0.50 0.35 2.04 -1.30 0.33 117.51 120.67 3kgw h ILE 357 Ca 0.30 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 65.59 3kgw h ILE 357 Cb -0.11 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 3kgw h ILE 357 CO -0.06 0.15 0.28 0.58 0.00 0.00 0.00 178.15 179.10 3kgw h VAL 358 N -0.34 1.02 -0.10 1.67 2.07 -1.27 -1.44 116.25 117.86 3kgw h VAL 358 Ca -0.01 -0.19 -0.13 0.00 0.82 0.00 0.00 66.70 67.20 3kgw h VAL 358 Cb 0.30 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3kgw h VAL 358 CO 0.01 0.10 -0.49 0.77 0.02 0.00 0.00 177.57 177.98 3kgw h SER 359 N 0.56 0.29 -0.17 0.57 4.64 -1.08 -2.30 113.55 116.05 3kgw h SER 359 Ca 0.21 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 3kgw h SER 359 Cb 0.06 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 3kgw h SER 359 CO -0.11 0.73 0.08 0.22 -0.87 0.00 0.00 176.83 176.88 3kgw h TYR 360 N 0.21 0.24 -0.75 4.77 5.03 -0.41 0.96 116.97 127.03 3kgw h TYR 360 Ca 0.01 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.33 3kgw h TYR 360 Cb 0.94 -0.07 -0.04 0.00 1.55 0.00 0.00 36.73 39.11 3kgw h TYR 360 CO 0.02 0.27 0.48 0.28 -1.32 0.00 0.00 178.16 177.89 3kgw h VAL 361 N 0.14 1.14 0.21 1.81 2.07 -1.21 -1.31 116.25 119.10 3kgw h VAL 361 Ca 0.06 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3kgw h VAL 361 Cb 0.12 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 3kgw h VAL 361 CO -0.01 0.18 -0.10 0.25 0.02 0.00 0.00 177.57 177.91 3kgw h LEU 362 N 0.96 -0.24 -0.40 2.57 5.85 -1.23 -2.10 115.31 120.72 3kgw h LEU 362 Ca 0.29 -0.16 -0.13 0.00 0.84 0.00 0.00 57.88 58.71 3kgw h LEU 362 Cb -0.04 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3kgw h LEU 362 CO -0.09 0.03 -0.27 0.44 -0.34 0.00 0.00 178.44 178.21 3kgw h ASP 363 N -0.53 0.93 0.67 1.25 3.32 -0.71 -1.35 116.42 120.01 3kgw h ASP 363 Ca -0.03 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3kgw h ASP 363 Cb 0.39 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3kgw h ASP 363 CO 0.05 1.16 -1.33 1.41 -1.72 0.00 0.00 179.24 178.81 3kgw n HIS 364 N -4.16 0.66 -0.27 4.55 8.25 -0.50 -4.56 115.22 119.19 3kgw n HIS 364 Ca -0.02 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 3kgw n HIS 364 Cb 0.48 -0.81 0.00 0.00 1.12 0.00 0.00 29.99 30.78 3kgw n HIS 364 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3kgw n PHE 365 N -2.54 0.00 -3.71 4.41 3.01 -0.80 -5.04 117.46 112.79 3kgw n PHE 365 Ca -0.01 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.19 3kgw n PHE 365 Cb 0.56 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.09 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 -0.19 -5.51 -4.19 4.37 7.64 -0.51 -4.90 113.62 110.32 3kgw n SER 366 Ca 0.00 -0.64 -0.30 0.00 1.01 0.00 0.00 58.87 58.94 3kgw n SER 366 Cb 0.07 -4.61 -0.17 0.00 -1.01 0.00 0.00 64.21 58.49 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 -3.32 1.86 -0.23 0.44 1.01 -1.20 -1.38 121.20 118.38 3kgw s ILE 367 Ca 0.57 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 60.17 3kgw s ILE 367 Cb -0.27 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 3kgw s ILE 367 CO 0.77 0.52 0.35 -1.61 0.00 0.00 0.00 174.94 174.96 3kgw s GLU 368 N 0.30 4.11 0.46 2.79 2.02 0.21 -2.84 118.70 125.75 3kgw s GLU 368 Ca -0.15 0.07 0.03 0.00 0.02 0.00 0.00 54.97 54.94 3kgw s GLU 368 Cb -0.17 -3.57 -0.02 0.00 0.10 0.00 0.00 34.13 30.47 3kgw s GLU 368 CO 0.07 -0.10 0.07 0.96 0.02 0.00 0.00 175.26 176.29 3kgw s ILE 369 N 1.50 0.82 0.27 -1.63 -4.36 -1.26 -0.63 121.20 115.92 3kgw s ILE 369 Ca 0.16 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.58 3kgw s ILE 369 Cb -0.15 -2.23 -0.03 0.00 1.25 0.00 0.00 42.46 41.30 3kgw s ILE 369 CO 0.08 0.00 0.21 -0.94 0.24 0.00 0.00 174.94 174.53 3kgw s SER 370 N -3.74 1.03 0.00 4.36 1.04 -0.96 -4.84 113.70 110.59 3kgw s SER 370 Ca 0.14 -1.59 0.00 0.00 0.48 0.00 0.00 55.95 54.98 3kgw s SER 370 Cb 0.02 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.61 3kgw s SER 370 CO 0.09 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.96 3kgw n GLY 371 N -0.47 1.61 1.12 7.32 0.00 -1.26 -0.42 105.19 113.09 3kgw n GLY 371 Ca 0.05 -1.73 -0.07 0.00 0.00 0.00 0.00 46.02 44.28 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 0.85 3.41 -0.02 0.00 -1.14 -3.79 105.19 109.49 3kgw n GLY 372 Ca 0.00 -1.99 -0.11 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.22 0.00 0.99 2.96 -1.26 -4.57 118.68 116.58 3kgw s LEU 373 Ca 0.19 1.08 0.00 0.00 -0.22 0.00 0.00 54.13 55.18 3kgw s LEU 373 Cb -0.01 1.73 0.00 0.00 0.50 0.00 0.00 46.19 48.41 3kgw s LEU 373 CO 0.13 -0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.57 3kgw n GLY 374 N 3.67 3.70 0.14 7.98 0.00 -1.26 -1.82 105.19 117.60 3kgw n GLY 374 Ca -0.19 0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.17 3kgw n GLY 374 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kgw n PRO 375 N 12.19 0.18 -0.18 1.61 -0.04 -1.26 -1.88 135.00 145.62 3kgw n PRO 375 Ca 0.00 0.48 0.12 0.00 -0.04 0.00 0.00 63.50 64.05 3kgw n PRO 375 Cb 0.00 -1.90 0.23 0.00 -0.04 0.00 0.00 33.50 31.79 3kgw n PRO 375 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kgw n THR 376 N -2.25 0.49 -1.66 0.52 -2.24 -0.75 -4.91 114.28 103.47 3kgw n THR 376 Ca 0.01 -0.72 -0.46 0.00 -2.27 0.00 0.00 64.05 60.62 3kgw n THR 376 Cb 0.18 0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 69.31 3kgw n THR 376 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kgw n GLU 377 N 1.41 1.94 -0.30 -0.78 1.02 -0.79 -1.37 120.64 121.77 3kgw n GLU 377 Ca 0.19 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 58.02 3kgw n GLU 377 Cb 0.59 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 3kgw n GLU 377 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3kgw n GLU 378 N 2.36 0.00 -0.06 3.49 -0.58 -1.26 -4.79 120.64 119.79 3kgw n GLU 378 Ca 0.14 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.85 3kgw n GLU 378 Cb 0.30 -2.99 -0.15 0.00 -0.57 0.00 0.00 31.44 28.03 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 0.87 -4.14 3.49 1.74 -0.47 -4.91 116.66 111.24 3kgw n ARG 379 Ca 0.00 -0.07 -0.09 0.00 -0.77 0.00 0.00 57.85 56.91 3kgw n ARG 379 Cb 0.00 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 29.87 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 -2.77 0.13 0.01 1.55 -7.23 -1.19 -2.05 120.40 108.85 3kgw s VAL 380 Ca -0.08 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 3kgw s VAL 380 Cb 0.08 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 3kgw s VAL 380 CO 0.77 -0.52 0.03 -0.76 -0.31 0.00 0.00 175.10 174.31 3kgw s LEU 381 N -3.04 3.64 -0.11 1.32 1.43 0.61 -2.90 118.68 119.64 3kgw s LEU 381 Ca 0.22 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.38 3kgw s LEU 381 Cb 0.07 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 44.15 3kgw s LEU 381 CO 0.01 0.26 -0.22 -0.13 0.23 0.00 0.00 176.35 176.49 3kgw s ARG 382 N -1.75 2.92 -0.14 1.70 0.52 0.44 -0.66 118.95 121.97 3kgw s ARG 382 Ca 0.22 -0.83 0.01 0.00 -0.52 0.00 0.00 55.73 54.61 3kgw s ARG 382 Cb -0.12 -2.26 0.02 0.00 0.52 0.00 0.00 34.95 33.11 3kgw s ARG 382 CO 0.13 0.11 -0.17 0.42 0.02 0.00 0.00 175.30 175.82 3kgw s ILE 383 N 0.50 1.72 -0.13 1.52 1.01 -0.81 -2.28 121.20 122.74 3kgw s ILE 383 Ca -0.15 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 3kgw s ILE 383 Cb -0.17 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 3kgw s ILE 383 CO 0.06 0.48 -0.02 -0.83 0.00 0.00 0.00 174.94 174.63 3kgw s GLY 384 N 1.21 1.77 -0.51 6.18 0.00 0.08 -1.03 107.32 115.03 3kgw s GLY 384 Ca -0.00 -0.81 0.04 0.00 0.00 0.00 0.00 44.72 43.95 3kgw s GLY 384 CO -0.07 -0.27 0.25 1.08 0.00 0.00 0.00 173.10 174.08 3kgw s LEU 385 N -0.14 4.34 -0.22 0.66 1.43 0.69 -4.38 118.68 121.06 3kgw s LEU 385 Ca 0.04 -2.96 -0.00 0.00 -1.03 0.00 0.00 54.13 50.17 3kgw s LEU 385 Cb -0.13 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.48 3kgw s LEU 385 CO 0.02 -0.24 -0.12 -0.76 0.23 0.00 0.00 176.35 175.48 3kgw s LEU 386 N -0.22 2.72 0.00 1.79 1.43 -1.26 -4.61 118.68 118.54 3kgw s LEU 386 Ca 0.17 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 3kgw s LEU 386 Cb -0.26 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.38 3kgw s LEU 386 CO -0.01 -0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.12 3kgw n GLY 387 N 4.64 2.93 0.43 -3.19 0.00 -1.24 -1.82 105.19 106.94 3kgw n GLY 387 Ca -0.18 0.28 0.30 0.00 0.00 0.00 0.00 46.02 46.42 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 0.62 -0.00 1.61 3.20 -1.90 0.89 116.97 121.39 3kgw h TYR 388 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3kgw h TYR 388 Cb 0.00 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.11 3kgw h TYR 388 CO 0.00 -0.11 -0.04 0.09 -1.64 0.00 0.00 178.16 176.46 3kgw n ASN 389 N -4.71 0.08 -4.23 -2.11 3.02 -0.76 -4.57 115.26 101.97 3kgw n ASN 389 Ca 0.32 0.09 -0.43 0.00 -0.03 0.00 0.00 54.58 54.53 3kgw n ASN 389 Cb 1.18 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 40.03 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 -1.36 4.40 -2.37 5.41 0.00 0.30 -4.63 120.51 122.27 3kgw n ALA 390 Ca 0.11 -4.01 -0.15 0.00 0.00 0.00 0.00 53.44 49.39 3kgw n ALA 390 Cb 0.29 -3.39 -0.10 0.00 0.00 0.00 0.00 19.45 16.25 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 2.86 1.17 0.12 0.00 -4.23 -1.26 -4.80 115.64 109.50 3kgw s THR 391 Ca 0.48 -1.88 -0.20 0.00 -1.18 0.00 0.00 61.69 58.91 3kgw s THR 391 Cb 0.06 -1.66 -0.08 0.00 1.34 0.00 0.00 72.50 72.17 3kgw s THR 391 CO 0.01 -0.62 1.77 0.74 -0.54 0.00 0.00 174.62 175.98 3kgw h THR 392 N 3.14 1.04 -0.61 3.99 2.02 -1.94 -2.00 112.91 118.55 3kgw h THR 392 Ca -0.38 -0.08 0.08 0.00 0.77 0.00 0.00 66.41 66.80 3kgw h THR 392 Cb 1.19 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 68.32 3kgw h THR 392 CO 0.58 0.04 0.27 -0.08 0.37 0.00 0.00 175.52 176.70 3kgw h GLU 393 N 0.23 0.48 -0.56 6.66 4.81 -1.97 -0.49 114.58 123.75 3kgw h GLU 393 Ca 0.07 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 3kgw h GLU 393 Cb -0.02 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 3kgw h GLU 393 CO -0.02 0.32 -0.04 -0.91 -0.73 0.00 0.00 179.01 177.63 3kgw h ASN 394 N 0.49 0.97 -0.27 1.04 2.35 -1.74 -0.06 115.58 118.37 3kgw h ASN 394 Ca 0.30 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3kgw h ASN 394 Cb 0.31 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3kgw h ASN 394 CO -0.26 1.05 0.16 0.58 -1.65 0.00 0.00 177.43 177.31 3kgw h VAL 395 N 0.90 1.11 -0.85 2.81 2.07 -1.05 -1.60 116.25 119.64 3kgw h VAL 395 Ca 0.16 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 3kgw h VAL 395 Cb 0.58 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3kgw h VAL 395 CO 0.03 0.11 0.51 0.44 0.02 0.00 0.00 177.57 178.68 3kgw h ASP 396 N 0.33 1.01 -0.06 0.57 3.32 -0.86 -0.14 116.42 120.59 3kgw h ASP 396 Ca 0.10 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3kgw h ASP 396 Cb 0.03 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 3kgw h ASP 396 CO -0.02 0.77 0.04 0.03 -1.72 0.00 0.00 179.24 178.35 3kgw h ARG 397 N 1.16 0.08 -0.09 3.56 3.08 -0.75 -2.07 114.38 119.36 3kgw h ARG 397 Ca 0.30 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 60.19 3kgw h ARG 397 Cb -0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3kgw h ARG 397 CO -0.06 0.06 -0.63 -0.24 -1.07 0.00 0.00 179.97 178.04 3kgw h VAL 398 N 0.08 1.38 -0.24 2.04 3.04 -1.07 -2.13 116.25 119.35 3kgw h VAL 398 Ca 0.02 -2.00 -0.00 0.00 -1.01 0.00 0.00 66.70 63.71 3kgw h VAL 398 Cb -0.00 1.99 -0.01 0.00 -2.01 0.00 0.00 31.29 31.26 3kgw h VAL 398 CO -0.00 0.60 0.14 0.00 -1.01 0.00 0.00 177.57 177.29 3kgw h ALA 399 N 1.09 0.30 -0.40 3.17 0.00 -0.99 0.42 119.26 122.86 3kgw h ALA 399 Ca -0.01 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3kgw h ALA 399 Cb 1.16 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3kgw h ALA 399 CO 0.10 -0.18 0.16 1.49 0.00 0.00 0.00 179.25 180.82 3kgw h GLU 400 N 0.28 0.32 -0.68 0.00 4.81 -1.28 0.50 114.58 118.52 3kgw h GLU 400 Ca 0.08 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3kgw h GLU 400 Cb 0.05 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 3kgw h GLU 400 CO -0.01 0.21 0.45 0.00 -0.73 0.00 0.00 179.01 178.93 3kgw h ALA 401 N 1.24 0.86 -0.32 2.92 0.00 -1.10 -1.69 119.26 121.17 3kgw h ALA 401 Ca 0.18 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3kgw h ALA 401 Cb 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3kgw h ALA 401 CO -0.17 0.29 -0.06 -0.07 0.00 0.00 0.00 179.25 179.24 3kgw h LEU 402 N 0.93 0.61 -0.70 0.00 3.38 -0.60 -0.81 115.31 118.11 3kgw h LEU 402 Ca 0.25 -0.36 0.06 0.00 0.09 0.00 0.00 57.88 57.92 3kgw h LEU 402 Cb -0.11 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.42 3kgw h LEU 402 CO -0.05 0.83 0.40 0.03 0.09 0.00 0.00 178.44 179.74 3kgw h ARG 403 N 0.39 0.72 -0.49 1.13 3.08 -0.73 -1.10 114.38 117.38 3kgw h ARG 403 Ca 0.08 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.96 3kgw h ARG 403 Cb 0.55 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3kgw h ARG 403 CO 0.03 0.48 -0.20 1.49 -1.07 0.00 0.00 179.97 180.70 3kgw h GLU 404 N 0.74 1.00 -0.75 0.04 4.81 -1.21 -2.35 114.58 116.86 3kgw h GLU 404 Ca 0.31 -0.42 0.07 0.00 -0.13 0.00 0.00 59.36 59.19 3kgw h GLU 404 Cb 0.19 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.47 3kgw h GLU 404 CO -0.18 1.10 0.43 0.00 -0.73 0.00 0.00 179.01 179.63 3kgw h ALA 405 N 0.87 1.03 -0.32 2.92 0.00 -0.71 -0.94 119.26 122.12 3kgw h ALA 405 Ca 0.11 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3kgw h ALA 405 Cb 0.78 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3kgw h ALA 405 CO 0.06 0.11 -0.05 -0.07 0.00 0.00 0.00 179.25 179.31 3kgw h LEU 406 N 0.78 0.48 -0.38 0.00 3.38 -1.03 0.69 115.31 119.23 3kgw h LEU 406 Ca 0.34 -0.10 -0.18 0.00 0.09 0.00 0.00 57.88 58.02 3kgw h LEU 406 Cb 0.23 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3kgw h LEU 406 CO -0.20 0.59 -0.66 1.56 0.09 0.00 0.00 178.44 179.82 3kgw h GLN 407 N 0.48 0.58 0.00 1.13 1.08 -0.87 -3.39 115.11 114.12 3kgw h GLN 407 Ca 0.10 -0.43 0.00 0.00 -1.45 0.00 0.00 58.65 56.87 3kgw h GLN 407 Cb 0.39 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 3kgw h GLN 407 CO 0.02 1.05 -1.32 0.72 -0.95 0.00 0.00 178.83 178.35 3kgw n HIS 408 N -3.92 0.00 -2.50 2.96 8.25 -0.41 -4.98 115.22 114.62 3kgw n HIS 408 Ca -0.05 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.02 3kgw n HIS 408 Cb 0.67 -0.20 -0.04 0.00 1.12 0.00 0.00 29.99 31.54 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 0.89 2.71 -4.70 0.00 -0.02 -1.26 -4.93 135.00 127.68 3kgw n PRO 410 Ca 0.00 0.97 -0.26 0.00 -2.02 0.00 0.00 63.50 62.19 3kgw n PRO 410 Cb 0.46 -2.76 -0.17 0.00 -0.02 0.00 0.00 33.50 31.01 3kgw n PRO 410 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3kgw s LYS 411 N -0.17 1.93 0.00 -0.52 2.20 -1.26 -4.38 119.74 117.55 3kgw s LYS 411 Ca 0.66 -0.50 0.28 0.00 -0.36 0.00 0.00 55.97 56.05 3kgw s LYS 411 Cb -0.50 -1.56 0.94 0.00 -1.51 0.00 0.00 37.83 35.20 3kgw s LYS 411 CO 0.45 0.06 1.69 0.09 -0.36 0.00 0.00 175.35 177.28