#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgx n GLY 24 N 0.00 6.39 0.46 3.03 0.00 -1.26 -5.08 105.19 108.73 3kgx n GLY 24 Ca 0.00 -2.03 0.13 0.00 0.00 0.00 0.00 46.02 44.13 3kgx n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kgx n SER 25 N -0.42 1.41 -4.21 1.61 3.41 -1.26 -4.92 113.62 109.24 3kgx n SER 25 Ca 0.00 -1.52 -0.12 0.00 -0.26 0.00 0.00 58.87 56.97 3kgx n SER 25 Cb 0.00 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 63.82 3kgx n SER 25 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3kgx s TYR 26 N -1.95 1.10 0.13 7.33 2.02 -1.26 -5.16 117.35 119.57 3kgx s TYR 26 Ca 0.37 -1.10 -0.15 0.00 -0.37 0.00 0.00 57.07 55.83 3kgx s TYR 26 Cb 0.20 -0.63 -0.07 0.00 -0.40 0.00 0.00 41.96 41.06 3kgx s TYR 26 CO 0.32 -0.32 0.54 -0.65 -1.57 0.00 0.00 175.55 173.87 3kgx s GLN 27 N -3.97 3.99 -0.13 -0.62 -1.52 -1.26 -4.92 119.66 111.24 3kgx s GLN 27 Ca 0.24 0.50 -0.29 0.00 -1.95 0.00 0.00 55.36 53.86 3kgx s GLN 27 Cb 0.07 -2.97 -0.03 0.00 -0.22 0.00 0.00 33.01 29.86 3kgx s GLN 27 CO 0.03 0.50 1.45 -0.51 -0.25 0.00 0.00 175.29 176.51 3kgx s LEU 28 N -1.86 4.21 0.00 2.90 1.43 -1.26 -4.91 118.68 119.19 3kgx s LEU 28 Ca 0.36 1.90 0.10 0.00 -1.03 0.00 0.00 54.13 55.46 3kgx s LEU 28 Cb -0.15 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.43 3kgx s LEU 28 CO 0.19 -0.87 0.44 0.18 0.23 0.00 0.00 176.35 176.52 3kgx n LEU 29 N 6.97 0.52 -4.54 1.79 4.77 -1.26 -4.90 117.00 120.35 3kgx n LEU 29 Ca 0.16 -0.51 -0.38 0.00 -0.03 0.00 0.00 56.01 55.24 3kgx n LEU 29 Cb 0.44 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 3kgx n LEU 29 CO 0.59 0.13 -0.18 -0.69 -1.33 0.00 0.00 177.39 175.91 3kgx s VAL 30 N -1.92 5.10 0.56 4.08 1.01 -1.26 -5.09 120.40 122.89 3kgx s VAL 30 Ca 0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.91 3kgx s VAL 30 Cb 0.08 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 3kgx s VAL 30 CO 0.41 0.18 0.93 -2.16 0.00 0.00 0.00 175.10 174.46 3kgx s PRO 31 N 1.72 3.55 0.28 2.72 0.04 -1.26 -5.01 135.00 137.04 3kgx s PRO 31 Ca 0.06 0.51 -0.30 0.00 0.04 0.00 0.00 61.00 61.31 3kgx s PRO 31 Cb -0.16 -2.20 -0.11 0.00 0.04 0.00 0.00 34.50 32.07 3kgx s PRO 31 CO 0.09 -0.43 1.53 -1.25 0.04 0.00 0.00 177.00 176.99 3kgx s PRO 32 N -5.00 4.17 -0.09 0.56 0.04 -1.26 -4.93 135.00 128.50 3kgx s PRO 32 Ca 0.52 2.48 -0.30 0.00 0.04 0.00 0.00 61.00 63.74 3kgx s PRO 32 Cb -0.11 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 3kgx s PRO 32 CO 0.50 -0.55 1.46 -2.14 0.04 0.00 0.00 177.00 176.31 3kgx s PRO 33 N -0.51 4.22 0.44 0.56 0.02 -1.26 -4.90 135.00 133.55 3kgx s PRO 33 Ca 0.61 1.95 0.11 0.00 0.02 0.00 0.00 61.00 63.70 3kgx s PRO 33 Cb -0.46 -3.84 0.96 0.00 0.02 0.00 0.00 34.50 31.18 3kgx s PRO 33 CO 0.47 -0.75 2.02 0.93 -0.33 0.00 0.00 177.00 179.34 3kgx h GLU 34 N 8.78 0.22 -0.18 5.54 4.39 -2.04 -2.74 114.58 128.55 3kgx h GLU 34 Ca -0.34 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.38 3kgx h GLU 34 Cb 1.15 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 3kgx h GLU 34 CO 0.95 0.25 0.13 0.00 -1.16 0.00 0.00 179.01 179.18 3kgx h ALA 35 N 1.79 2.13 0.00 3.43 0.00 -1.99 -1.89 119.26 122.73 3kgx h ALA 35 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kgx h ALA 35 Cb 0.16 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kgx h ALA 35 CO 0.00 -0.22 -0.01 -0.07 0.00 0.00 0.00 179.25 178.95 3kgx h LEU 36 N 0.00 0.00 -1.06 0.00 3.38 -1.89 -3.05 115.31 112.68 3kgx h LEU 36 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3kgx h LEU 36 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3kgx h LEU 36 CO -0.00 0.01 0.00 0.77 0.09 0.00 0.00 178.44 179.31 3kgx h SER 37 N 0.00 0.00 -3.87 -0.43 4.64 -1.51 -3.45 113.55 108.92 3kgx h SER 37 Ca -0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3kgx h SER 37 Cb 0.35 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.47 3kgx h SER 37 CO 0.00 0.00 0.46 -0.54 -0.87 0.00 0.00 176.83 175.88 3kgx s LYS 38 N -3.53 4.41 0.46 4.77 -0.14 -1.16 -4.98 119.74 119.58 3kgx s LYS 38 Ca 0.03 1.73 -0.25 0.00 -1.36 0.00 0.00 55.97 56.12 3kgx s LYS 38 Cb 0.08 -2.92 -0.08 0.00 -1.68 0.00 0.00 37.83 33.23 3kgx s LYS 38 CO 0.56 0.03 1.41 -2.14 -0.76 0.00 0.00 175.35 174.44 3kgx s PRO 39 N -1.88 3.63 -0.36 -1.68 0.02 -1.26 -4.94 135.00 128.53 3kgx s PRO 39 Ca 0.50 2.38 -0.27 0.00 0.02 0.00 0.00 61.00 63.63 3kgx s PRO 39 Cb -0.29 -2.61 0.02 0.00 0.02 0.00 0.00 34.50 31.64 3kgx s PRO 39 CO 0.37 -0.84 0.98 -1.17 -0.33 0.00 0.00 177.00 176.01 3kgx s LEU 40 N -2.81 3.95 0.12 -5.54 2.96 -1.26 -5.02 118.68 111.08 3kgx s LEU 40 Ca 0.62 0.74 0.04 0.00 -0.22 0.00 0.00 54.13 55.31 3kgx s LEU 40 Cb -0.43 -3.37 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 3kgx s LEU 40 CO 0.55 -0.88 -0.11 -0.94 -1.32 0.00 0.00 176.35 173.65 3kgx s SER 41 N 1.83 1.69 0.01 3.68 1.04 -1.26 -5.17 113.70 115.53 3kgx s SER 41 Ca 0.41 -0.87 0.03 0.00 0.48 0.00 0.00 55.95 55.99 3kgx s SER 41 Cb -0.12 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 3kgx s SER 41 CO 0.18 -0.25 -0.08 0.68 0.98 0.00 0.00 173.24 174.75 3kgx s VAL 42 N -2.63 0.64 0.86 5.02 -7.23 -1.26 -5.16 120.40 110.65 3kgx s VAL 42 Ca 0.10 -0.60 -0.11 0.00 -1.81 0.00 0.00 61.98 59.56 3kgx s VAL 42 Cb -0.02 -0.59 0.11 0.00 0.56 0.00 0.00 36.38 36.45 3kgx s VAL 42 CO 0.01 0.00 1.09 -2.16 -0.31 0.00 0.00 175.10 173.73 3kgx s PRO 43 N -0.66 1.53 -0.33 4.82 0.04 -1.26 -5.00 135.00 134.15 3kgx s PRO 43 Ca -0.00 0.85 -0.17 0.00 0.04 0.00 0.00 61.00 61.72 3kgx s PRO 43 Cb -0.05 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 3kgx s PRO 43 CO 0.00 -2.06 0.45 0.99 0.04 0.00 0.00 177.00 176.42 3kgx s THR 44 N -2.96 5.09 0.03 1.26 2.01 -1.26 -5.05 115.64 114.77 3kgx s THR 44 Ca 0.63 0.34 -0.00 0.00 0.31 0.00 0.00 61.69 62.96 3kgx s THR 44 Cb -0.17 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 3kgx s THR 44 CO 0.56 -0.09 -0.03 -0.13 -0.69 0.00 0.00 174.62 174.24 3kgx s ARG 45 N 2.22 0.42 -0.33 4.92 0.52 -1.26 -4.95 118.95 120.50 3kgx s ARG 45 Ca 0.16 -0.80 -0.17 0.00 -0.52 0.00 0.00 55.73 54.40 3kgx s ARG 45 Cb -0.16 0.10 -0.01 0.00 0.52 0.00 0.00 34.95 35.39 3kgx s ARG 45 CO 0.12 -0.06 0.45 -1.17 0.02 0.00 0.00 175.30 174.66 3kgx s LEU 46 N -1.90 4.29 -0.69 2.53 2.96 -0.22 -4.98 118.68 120.66 3kgx s LEU 46 Ca -0.09 0.02 -0.20 0.00 -0.22 0.00 0.00 54.13 53.65 3kgx s LEU 46 Cb -0.05 -2.50 0.10 0.00 0.50 0.00 0.00 46.19 44.25 3kgx s LEU 46 CO -0.03 -0.37 0.88 -0.76 -1.32 0.00 0.00 176.35 174.74 3kgx s LEU 47 N 2.22 5.06 -0.31 -0.68 1.43 -1.26 -0.51 118.68 124.64 3kgx s LEU 47 Ca 0.16 -1.47 0.08 0.00 -1.03 0.00 0.00 54.13 51.87 3kgx s LEU 47 Cb -0.16 -2.35 0.47 0.00 0.03 0.00 0.00 46.19 44.18 3kgx s LEU 47 CO 0.12 -1.19 1.39 0.18 0.23 0.00 0.00 176.35 177.08 3kgx n LEU 48 N 6.71 4.39 0.00 1.79 4.77 0.46 -4.40 117.00 130.72 3kgx n LEU 48 Ca 0.00 -4.13 0.00 0.00 -0.03 0.00 0.00 56.01 51.85 3kgx n LEU 48 Cb 0.45 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3kgx n LEU 48 CO 0.57 1.56 0.00 0.61 -1.33 0.00 0.00 177.39 178.80 3kgx n GLY 49 N -0.99 1.21 0.00 -0.72 0.00 -0.95 -0.36 105.19 103.37 3kgx n GLY 49 Ca 0.36 -1.96 0.12 0.00 0.00 0.00 0.00 46.02 44.54 3kgx n GLY 49 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kgx n PRO 50 N -0.32 0.91 0.00 1.61 -0.04 -1.26 -2.95 135.00 132.96 3kgx n PRO 50 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3kgx n PRO 50 Cb 0.00 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 3kgx n PRO 50 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kgx n GLY 51 N 0.76 4.33 3.85 0.55 0.00 -1.26 -4.94 105.19 108.48 3kgx n GLY 51 Ca 0.18 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 3kgx n GLY 51 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kgx s PRO 52 N -4.01 3.18 0.47 1.61 0.04 -1.26 -5.12 135.00 129.91 3kgx s PRO 52 Ca 0.00 0.76 -0.01 0.00 0.04 0.00 0.00 61.00 61.80 3kgx s PRO 52 Cb 0.00 -2.03 -0.00 0.00 0.04 0.00 0.00 34.50 32.50 3kgx s PRO 52 CO 0.00 -0.87 0.71 -1.54 0.04 0.00 0.00 177.00 175.33 3kgx s SER 53 N -4.07 5.82 0.64 6.66 1.04 -1.24 -4.79 113.70 117.76 3kgx s SER 53 Ca 0.57 0.37 -0.16 0.00 0.48 0.00 0.00 55.95 57.21 3kgx s SER 53 Cb -0.12 -1.59 -0.01 0.00 0.10 0.00 0.00 66.02 64.40 3kgx s SER 53 CO 0.54 -0.74 1.13 0.20 0.98 0.00 0.00 173.24 175.35 3kgx s ASN 54 N -4.22 5.12 0.06 7.02 -0.87 -1.26 -4.96 114.94 115.82 3kgx s ASN 54 Ca 0.49 2.10 -0.05 0.00 -1.57 0.00 0.00 52.86 53.84 3kgx s ASN 54 Cb -0.10 -2.56 -0.05 0.00 -0.02 0.00 0.00 41.25 38.52 3kgx s ASN 54 CO 0.39 -1.63 0.29 -0.76 -2.57 0.00 0.00 177.10 172.82 3kgx s LEU 55 N -4.64 4.34 0.49 0.60 1.43 -1.26 -4.67 118.68 114.97 3kgx s LEU 55 Ca 0.70 0.51 -0.21 0.00 -1.03 0.00 0.00 54.13 54.09 3kgx s LEU 55 Cb -0.23 -2.92 -0.07 0.00 0.03 0.00 0.00 46.19 43.01 3kgx s LEU 55 CO 0.38 0.18 1.14 0.00 0.23 0.00 0.00 176.35 178.28 3kgx s ALA 56 N -1.45 2.86 0.36 4.21 0.00 -1.26 -4.79 121.76 121.69 3kgx s ALA 56 Ca 0.33 0.87 0.12 0.00 0.00 0.00 0.00 51.96 53.28 3kgx s ALA 56 Cb -0.13 -3.36 0.93 0.00 0.00 0.00 0.00 23.12 20.56 3kgx s ALA 56 CO 0.21 -0.67 1.80 -1.35 0.00 0.00 0.00 175.76 175.75 3kgx h PRO 57 N 1.69 0.55 -0.66 0.00 0.11 -1.99 -1.20 132.00 130.51 3kgx h PRO 57 Ca -0.50 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 3kgx h PRO 57 Cb 1.25 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3kgx h PRO 57 CO 0.59 0.37 0.28 0.00 -0.21 0.00 0.00 178.00 179.03 3kgx h ARG 58 N 0.57 0.96 -0.08 1.05 3.08 -1.99 -0.88 114.38 117.10 3kgx h ARG 58 Ca 0.55 -0.15 -0.14 0.00 0.07 0.00 0.00 59.98 60.31 3kgx h ARG 58 Cb 1.13 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 31.02 3kgx h ARG 58 CO -0.30 0.77 -0.52 0.28 -1.07 0.00 0.00 179.97 179.13 3kgx h VAL 59 N 0.95 1.38 -0.36 2.04 2.07 -1.66 -1.65 116.25 119.02 3kgx h VAL 59 Ca 0.23 -1.87 0.07 0.00 0.82 0.00 0.00 66.70 65.94 3kgx h VAL 59 Cb 0.16 2.29 -0.06 0.00 -1.52 0.00 0.00 31.29 32.15 3kgx h VAL 59 CO -0.02 0.56 -0.03 -0.07 0.02 0.00 0.00 177.57 178.03 3kgx h LEU 60 N 0.06 -0.21 -1.06 2.57 3.38 -1.17 -2.76 115.31 116.12 3kgx h LEU 60 Ca -0.04 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3kgx h LEU 60 Cb 1.18 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 3kgx h LEU 60 CO 0.11 -0.06 0.39 0.00 0.09 0.00 0.00 178.44 178.96 3kgx h ALA 61 N 1.33 1.28 0.00 1.53 0.00 -1.15 -2.40 119.26 119.86 3kgx h ALA 61 Ca 0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3kgx h ALA 61 Cb 0.26 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kgx h ALA 61 CO -0.32 0.57 -0.10 0.00 0.00 0.00 0.00 179.25 179.40 3kgx h ALA 62 N 1.38 1.60 0.00 0.00 0.00 -1.02 -2.72 119.26 118.49 3kgx h ALA 62 Ca 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kgx h ALA 62 Cb 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kgx h ALA 62 CO -0.04 0.13 -0.02 0.78 0.00 0.00 0.00 179.25 180.09 3kgx h GLY 63 N 0.43 0.00 -2.39 0.00 0.00 -1.16 -2.64 103.07 97.32 3kgx h GLY 63 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kgx h GLY 63 CO 0.01 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.99 3kgx n SER 64 N -3.50 3.59 -4.77 0.19 7.64 -1.03 -5.01 113.62 110.73 3kgx n SER 64 Ca -0.03 -1.99 -0.34 0.00 1.01 0.00 0.00 58.87 57.52 3kgx n SER 64 Cb 0.12 -0.32 0.03 0.00 -1.01 0.00 0.00 64.21 63.04 3kgx n SER 64 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3kgx s LEU 65 N -1.33 3.54 0.72 -3.43 1.43 -0.99 -5.00 118.68 113.61 3kgx s LEU 65 Ca 0.41 2.13 -0.11 0.00 -1.03 0.00 0.00 54.13 55.53 3kgx s LEU 65 Cb 0.23 -4.57 0.03 0.00 0.03 0.00 0.00 46.19 41.91 3kgx s LEU 65 CO 0.32 -1.53 1.08 -0.13 0.23 0.00 0.00 176.35 176.31 3kgx s ARG 66 N -3.72 2.65 0.42 1.70 0.52 -1.26 -4.99 118.95 114.27 3kgx s ARG 66 Ca 0.71 1.11 -0.19 0.00 -0.52 0.00 0.00 55.73 56.84 3kgx s ARG 66 Cb -0.23 -1.95 -0.10 0.00 0.52 0.00 0.00 34.95 33.19 3kgx s ARG 66 CO 0.36 -1.33 0.90 -1.64 0.02 0.00 0.00 175.30 173.61 3kgx s MET 67 N -4.82 4.12 0.08 3.54 -1.94 -1.26 -5.01 119.30 114.01 3kgx s MET 67 Ca 0.61 0.97 -0.02 0.00 -1.71 0.00 0.00 55.69 55.54 3kgx s MET 67 Cb -0.16 -2.23 -0.04 0.00 2.01 0.00 0.00 34.83 34.41 3kgx s MET 67 CO 0.53 -0.03 0.02 0.96 -0.01 0.00 0.00 175.02 176.49 3kgx s ILE 68 N -2.21 0.18 0.60 2.53 -4.36 -1.26 -5.16 121.20 111.51 3kgx s ILE 68 Ca 0.59 -1.78 -0.19 0.00 -0.26 0.00 0.00 60.65 59.01 3kgx s ILE 68 Cb -0.09 -1.67 -0.03 0.00 1.25 0.00 0.00 42.46 41.91 3kgx s ILE 68 CO 0.17 -0.80 1.21 -0.83 0.24 0.00 0.00 174.94 174.93 3kgx s GLY 69 N -2.95 2.74 0.25 6.27 0.00 -1.26 -4.96 107.32 107.41 3kgx s GLY 69 Ca 0.12 1.01 -0.02 0.00 0.00 0.00 0.00 44.72 45.83 3kgx s GLY 69 CO -0.06 1.40 1.74 0.45 0.00 0.00 0.00 173.10 176.63 3kgx h HIS 70 N 0.86 0.84 -0.00 1.90 -0.00 -2.01 -2.98 115.15 113.76 3kgx h HIS 70 Ca -0.50 -0.13 0.00 0.00 -0.00 0.00 0.00 60.37 59.73 3kgx h HIS 70 Cb 1.30 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.48 3kgx h HIS 70 CO 0.46 0.80 -0.24 -1.33 -0.00 0.00 0.00 177.93 177.63 3kgx n MET 71 N -4.20 0.57 -2.02 2.45 2.81 -1.26 -4.59 117.12 110.88 3kgx n MET 71 Ca 0.02 -0.27 -0.35 0.00 -1.81 0.00 0.00 57.70 55.29 3kgx n MET 71 Cb 0.33 -1.49 0.03 0.00 -0.71 0.00 0.00 33.22 31.37 3kgx n MET 71 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3kgx s GLN 72 N -2.62 3.03 0.29 0.03 -1.52 -1.13 -4.76 119.66 112.98 3kgx s GLN 72 Ca 0.23 1.66 0.03 0.00 -1.95 0.00 0.00 55.36 55.33 3kgx s GLN 72 Cb 0.19 -1.96 0.69 0.00 -0.22 0.00 0.00 33.01 31.72 3kgx s GLN 72 CO 0.54 -1.12 1.72 1.57 -0.25 0.00 0.00 175.29 177.74 3kgx h LYS 73 N 0.77 0.46 -0.44 2.91 2.10 -1.94 -1.06 116.57 119.37 3kgx h LYS 73 Ca -0.49 -0.03 -0.11 0.00 -2.00 0.00 0.00 60.65 58.01 3kgx h LYS 73 Cb 1.27 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 32.49 3kgx h LYS 73 CO 0.55 0.31 -0.18 0.93 -2.00 0.00 0.00 179.45 179.06 3kgx h GLU 74 N 0.48 0.86 -0.18 0.07 3.07 -1.94 -1.43 114.58 115.51 3kgx h GLU 74 Ca 0.54 -0.34 -0.08 0.00 -0.50 0.00 0.00 59.36 58.98 3kgx h GLU 74 Cb 0.97 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.83 3kgx h GLU 74 CO -0.48 0.97 -0.22 1.98 -1.40 0.00 0.00 179.01 179.86 3kgx h MET 75 N 0.76 0.46 -0.95 2.33 4.05 -1.52 -2.08 114.93 117.98 3kgx h MET 75 Ca 0.11 -0.26 0.10 0.00 -0.28 0.00 0.00 59.70 59.37 3kgx h MET 75 Cb 0.71 0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 31.46 3kgx h MET 75 CO 0.05 0.84 0.61 -0.07 0.23 0.00 0.00 176.91 178.58 3kgx h LEU 76 N 0.11 0.88 -0.40 3.39 3.38 -1.12 0.60 115.31 122.15 3kgx h LEU 76 Ca 0.02 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3kgx h LEU 76 Cb 0.78 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3kgx h LEU 76 CO 0.05 0.51 -0.05 -0.61 0.09 0.00 0.00 178.44 178.43 3kgx h GLN 77 N 0.97 0.74 -0.60 1.13 5.75 -1.21 -1.48 115.11 120.41 3kgx h GLN 77 Ca 0.45 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.69 3kgx h GLN 77 Cb 0.40 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 3kgx h GLN 77 CO -0.21 0.86 0.38 0.82 -2.65 0.00 0.00 178.83 178.03 3kgx h ILE 78 N 0.56 1.17 -0.92 2.39 2.04 -0.77 -0.61 117.51 121.37 3kgx h ILE 78 Ca 0.11 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.65 3kgx h ILE 78 Cb 0.55 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 3kgx h ILE 78 CO 0.03 0.17 0.60 0.24 0.00 0.00 0.00 178.15 179.19 3kgx h MET 79 N 0.82 1.17 -0.42 2.37 2.86 -0.78 -0.18 114.93 120.78 3kgx h MET 79 Ca 0.22 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 3kgx h MET 79 Cb -0.06 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.32 3kgx h MET 79 CO -0.04 0.78 0.11 1.49 1.06 0.00 0.00 176.91 180.30 3kgx h GLU 80 N 1.21 0.66 -0.31 1.72 4.57 -0.72 -1.57 114.58 120.13 3kgx h GLU 80 Ca 0.35 -0.15 -0.08 0.00 -1.18 0.00 0.00 59.36 58.29 3kgx h GLU 80 Cb -0.08 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.40 3kgx h GLU 80 CO -0.09 0.67 -0.15 0.93 -1.18 0.00 0.00 179.01 179.18 3kgx h GLU 81 N 0.53 0.55 -0.10 1.92 5.08 -0.81 -1.79 114.58 119.96 3kgx h GLU 81 Ca 0.13 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3kgx h GLU 81 Cb 0.30 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3kgx h GLU 81 CO -0.00 0.69 0.02 0.82 -1.00 0.00 0.00 179.01 179.55 3kgx h ILE 82 N 0.50 1.20 -0.25 3.13 2.04 -0.90 0.48 117.51 123.72 3kgx h ILE 82 Ca 0.09 -0.61 0.05 0.00 1.00 0.00 0.00 64.86 65.39 3kgx h ILE 82 Cb 0.56 1.41 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 3kgx h ILE 82 CO 0.04 0.18 -0.07 0.11 0.00 0.00 0.00 178.15 178.40 3kgx h LYS 83 N -0.04 -0.02 -0.68 2.37 1.57 -1.10 0.15 116.57 118.83 3kgx h LYS 83 Ca 0.03 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3kgx h LYS 83 Cb 0.26 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.52 3kgx h LYS 83 CO 0.00 -0.01 0.42 1.96 -0.57 0.00 0.00 179.45 181.24 3kgx h GLN 84 N -0.02 0.78 -0.83 3.15 4.20 -1.28 -0.28 115.11 120.82 3kgx h GLN 84 Ca 0.12 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 3kgx h GLN 84 Cb 0.20 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 3kgx h GLN 84 CO -0.26 0.52 0.40 0.78 -0.67 0.00 0.00 178.83 179.59 3kgx h GLY 85 N 0.80 1.29 0.93 3.46 0.00 -0.12 -1.46 103.07 107.97 3kgx h GLY 85 Ca 0.28 -0.64 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 3kgx h GLY 85 CO -0.12 0.61 -0.19 -2.22 0.00 0.00 0.00 176.54 174.62 3kgx h ILE 86 N 1.19 1.30 -0.92 2.60 2.04 -0.30 -1.62 117.51 121.80 3kgx h ILE 86 Ca 0.29 -1.31 0.11 0.00 1.00 0.00 0.00 64.86 64.95 3kgx h ILE 86 Cb 0.12 1.51 -0.08 0.00 -0.74 0.00 0.00 36.82 37.63 3kgx h ILE 86 CO -0.04 0.42 0.55 1.56 0.00 0.00 0.00 178.15 180.64 3kgx h GLN 87 N 0.40 0.84 0.13 2.37 4.20 -0.92 0.76 115.11 122.88 3kgx h GLN 87 Ca 0.06 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3kgx h GLN 87 Cb 0.72 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3kgx h GLN 87 CO 0.05 0.56 -0.06 -0.92 -0.67 0.00 0.00 178.83 177.79 3kgx h TYR 88 N 0.87 -0.16 -0.29 2.96 3.20 -1.06 0.56 116.97 123.06 3kgx h TYR 88 Ca 0.46 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.21 3kgx h TYR 88 Cb 0.47 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 3kgx h TYR 88 CO -0.04 0.15 -0.31 -0.39 -1.64 0.00 0.00 178.16 175.94 3kgx h VAL 89 N -0.49 1.28 0.00 1.81 -1.51 -1.03 -2.71 116.25 113.60 3kgx h VAL 89 Ca -0.02 -1.41 -0.08 0.00 -1.23 0.00 0.00 66.70 63.96 3kgx h VAL 89 Cb 0.39 1.39 -0.01 0.00 -2.13 0.00 0.00 31.29 30.93 3kgx h VAL 89 CO 0.03 0.45 -0.40 -0.26 -1.23 0.00 0.00 177.57 176.17 3kgx h PHE 90 N 0.51 0.00 -5.28 5.19 -1.00 -0.93 -3.45 116.94 111.98 3kgx h PHE 90 Ca 0.06 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.60 3kgx h PHE 90 Cb 0.78 0.00 0.18 0.00 3.61 0.00 0.00 35.95 40.52 3kgx h PHE 90 CO 0.03 0.40 -0.79 1.04 -1.61 0.00 0.00 178.31 177.38 3kgx n GLN 91 N -3.45 -2.50 -4.07 1.51 1.13 0.03 -1.67 117.38 108.37 3kgx n GLN 91 Ca 0.00 0.80 -0.13 0.00 -1.94 0.00 0.00 57.00 55.73 3kgx n GLN 91 Cb 0.55 -5.53 -0.12 0.00 0.11 0.00 0.00 30.24 25.25 3kgx n GLN 91 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 3kgx s THR 92 N -3.36 0.46 -1.54 5.09 -1.32 -0.29 -2.97 115.64 111.70 3kgx s THR 92 Ca 0.38 -0.85 0.19 0.00 -1.21 0.00 0.00 61.69 60.20 3kgx s THR 92 Cb -0.05 -0.50 0.58 0.00 -1.51 0.00 0.00 72.50 71.02 3kgx s THR 92 CO 0.68 -0.28 1.49 0.54 -2.21 0.00 0.00 174.62 174.85 3kgx n ARG 93 N 1.84 2.95 -1.66 7.08 1.74 -1.26 -4.61 116.66 122.74 3kgx n ARG 93 Ca -0.20 -2.58 -0.42 0.00 -0.77 0.00 0.00 57.85 53.87 3kgx n ARG 93 Cb 0.56 -1.57 -0.03 0.00 -1.02 0.00 0.00 32.46 30.39 3kgx n ARG 93 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3kgx n ASN 94 N 1.25 4.15 0.13 0.55 3.02 -1.26 -4.88 115.26 118.22 3kgx n ASN 94 Ca 0.22 0.91 0.04 0.00 -0.03 0.00 0.00 54.58 55.72 3kgx n ASN 94 Cb 0.64 -1.52 0.47 0.00 -0.61 0.00 0.00 39.78 38.75 3kgx n ASN 94 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3kgx h PRO 95 N 10.48 0.24 -4.79 3.52 0.11 -1.87 -3.32 132.00 136.36 3kgx h PRO 95 Ca -0.50 -0.03 -0.72 0.00 0.11 0.00 0.00 66.00 64.86 3kgx h PRO 95 Cb 1.24 -0.04 -0.13 0.00 0.11 0.00 0.00 31.00 32.17 3kgx h PRO 95 CO 0.94 0.26 1.88 -0.11 -0.21 0.00 0.00 178.00 180.77 3kgx n LEU 96 N -4.40 5.53 -3.77 2.35 0.00 -1.26 -4.67 117.00 110.78 3kgx n LEU 96 Ca -0.00 -4.31 -0.21 0.00 0.00 0.00 0.00 56.01 51.49 3kgx n LEU 96 Cb 0.17 -1.64 -0.17 0.00 0.00 0.00 0.00 43.42 41.78 3kgx n LEU 96 CO 0.36 0.71 -0.38 -0.89 0.00 0.00 0.00 177.39 177.19 3kgx s THR 97 N 2.29 0.28 0.37 1.96 2.01 -1.25 -0.99 115.64 120.30 3kgx s THR 97 Ca 0.46 0.15 -0.15 0.00 0.31 0.00 0.00 61.69 62.45 3kgx s THR 97 Cb 0.03 -0.43 0.06 0.00 0.01 0.00 0.00 72.50 72.17 3kgx s THR 97 CO 0.02 0.23 0.81 0.00 -0.69 0.00 0.00 174.62 174.98 3kgx n LEU 98 N 4.91 0.00 -4.59 4.42 -0.00 -0.39 -4.83 117.00 116.53 3kgx n LEU 98 Ca -0.11 -2.46 -0.34 0.00 -0.00 0.00 0.00 56.01 53.10 3kgx n LEU 98 Cb 0.50 3.71 -0.11 0.00 -0.00 0.00 0.00 43.42 47.52 3kgx n LEU 98 CO 0.13 -0.82 -0.37 -0.69 -0.00 0.00 0.00 177.39 175.64 3kgx s VAL 99 N -2.10 3.78 0.13 1.47 1.01 -1.26 -1.05 120.40 122.37 3kgx s VAL 99 Ca 0.16 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 61.78 3kgx s VAL 99 Cb -0.05 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 3kgx s VAL 99 CO 0.11 0.59 -0.19 0.68 0.00 0.00 0.00 175.10 176.29 3kgx s VAL 100 N -0.75 1.74 0.74 2.92 -7.23 -0.60 -4.99 120.40 112.22 3kgx s VAL 100 Ca 0.11 -1.71 -0.12 0.00 -1.81 0.00 0.00 61.98 58.45 3kgx s VAL 100 Cb -0.11 -1.68 0.04 0.00 0.56 0.00 0.00 36.38 35.19 3kgx s VAL 100 CO 0.02 -0.19 1.10 -0.44 -0.31 0.00 0.00 175.10 175.28 3kgx s SER 101 N -2.27 4.62 0.00 4.85 0.01 -1.26 -1.26 113.70 118.39 3kgx s SER 101 Ca 0.11 1.91 0.00 0.00 1.31 0.00 0.00 55.95 59.27 3kgx s SER 101 Cb -0.08 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.62 3kgx s SER 101 CO 0.05 -1.96 0.00 0.61 0.41 0.00 0.00 173.24 172.35 3kgx n GLY 102 N -0.89 2.96 3.93 3.44 0.00 -1.13 -4.66 105.19 108.83 3kgx n GLY 102 Ca 0.10 -1.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.27 3kgx n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kgx s SER 103 N 0.00 4.81 1.91 1.61 1.04 -1.25 -2.84 113.70 118.98 3kgx s SER 103 Ca 0.00 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.37 3kgx s SER 103 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.33 3kgx s SER 103 CO 0.00 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.75 3kgx n GLY 104 N -1.84 3.40 1.32 7.32 0.00 -1.26 -2.14 105.19 111.99 3kgx n GLY 104 Ca 0.03 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.99 3kgx n GLY 104 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kgx n HIS 105 N 13.88 1.43 0.29 1.61 -0.00 -1.26 -4.59 115.22 126.58 3kgx n HIS 105 Ca 0.00 -0.82 0.18 0.00 -0.00 0.00 0.00 57.72 57.07 3kgx n HIS 105 Cb 0.00 -0.40 0.79 0.00 -0.00 0.00 0.00 29.99 30.38 3kgx n HIS 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kgx n ALA 107 N -2.11 0.98 0.15 0.00 0.00 -1.26 -0.65 120.51 117.61 3kgx n ALA 107 Ca -0.00 0.13 0.06 0.00 0.00 0.00 0.00 53.44 53.62 3kgx n ALA 107 Cb 0.26 -1.16 0.52 0.00 0.00 0.00 0.00 19.45 19.08 3kgx n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kgx h MET 108 N 0.00 0.22 -0.14 0.00 -0.00 -1.76 -1.54 114.93 111.72 3kgx h MET 108 Ca 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.70 59.67 3kgx h MET 108 Cb 0.07 -0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 31.61 3kgx h MET 108 CO 0.00 0.18 0.03 0.93 -0.00 0.00 0.00 176.91 178.05 3kgx h GLU 109 N 0.23 0.22 -0.54 -0.10 5.08 -1.12 0.29 114.58 118.64 3kgx h GLU 109 Ca 0.06 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 3kgx h GLU 109 Cb 0.04 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.20 3kgx h GLU 109 CO -0.01 0.40 0.21 1.15 -1.00 0.00 0.00 179.01 179.75 3kgx h THR 110 N 0.01 0.82 0.21 1.13 2.02 -1.59 0.20 112.91 115.72 3kgx h THR 110 Ca 0.04 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 3kgx h THR 110 Cb 0.28 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3kgx h THR 110 CO 0.00 0.07 -0.10 0.00 0.37 0.00 0.00 175.52 175.86 3kgx h ALA 111 N 1.36 -0.28 -0.40 6.16 0.00 -1.12 -2.81 119.26 122.16 3kgx h ALA 111 Ca 0.26 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 3kgx h ALA 111 Cb 0.29 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kgx h ALA 111 CO -0.26 -0.62 -0.36 -0.07 0.00 0.00 0.00 179.25 177.94 3kgx h LEU 112 N -0.37 1.00 -1.43 0.00 3.38 -0.75 -0.22 115.31 116.92 3kgx h LEU 112 Ca -0.03 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 3kgx h LEU 112 Cb 0.28 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3kgx h LEU 112 CO 0.05 1.25 0.30 -0.26 0.09 0.00 0.00 178.44 179.86 3kgx h PHE 113 N 0.78 0.66 0.16 1.13 0.04 -0.63 -1.26 116.94 117.81 3kgx h PHE 113 Ca 0.07 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.59 3kgx h PHE 113 Cb 0.95 -0.22 0.02 0.00 2.20 0.00 0.00 35.95 38.91 3kgx h PHE 113 CO 0.06 0.45 -1.13 -0.91 -0.60 0.00 0.00 178.31 176.17 3kgx h ASN 114 N 0.70 0.54 0.75 2.17 2.35 -1.33 -3.40 115.58 117.35 3kgx h ASN 114 Ca 0.18 -0.92 -0.21 0.00 -0.55 0.00 0.00 56.30 54.79 3kgx h ASN 114 Cb -0.02 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3kgx h ASN 114 CO -0.03 1.53 -0.99 -0.07 -1.65 0.00 0.00 177.43 176.22 3kgx h LEU 115 N -0.23 0.18 -8.85 1.61 3.38 -0.94 -3.42 115.31 107.04 3kgx h LEU 115 Ca -0.21 -0.17 -0.63 0.00 0.09 0.00 0.00 57.88 56.95 3kgx h LEU 115 Cb 1.80 -0.06 -0.21 0.00 0.09 0.00 0.00 40.66 42.29 3kgx h LEU 115 CO 0.16 1.06 -0.65 -0.76 0.09 0.00 0.00 178.44 178.34 3kgx s LEU 116 N -7.11 3.34 0.20 1.67 1.43 -0.49 -4.87 118.68 112.87 3kgx s LEU 116 Ca -0.02 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 3kgx s LEU 116 Cb 0.10 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 3kgx s LEU 116 CO 0.83 0.14 0.33 -1.61 0.23 0.00 0.00 176.35 176.28 3kgx s GLU 117 N 0.52 3.44 0.12 1.70 2.02 -1.26 -4.79 118.70 120.45 3kgx s GLU 117 Ca -0.02 -0.69 -0.35 0.00 0.02 0.00 0.00 54.97 53.93 3kgx s GLU 117 Cb -0.14 -2.92 -0.15 0.00 0.10 0.00 0.00 34.13 31.02 3kgx s GLU 117 CO 0.02 0.46 1.44 -2.30 0.02 0.00 0.00 175.26 174.91 3kgx n PRO 118 N -1.07 1.60 0.00 0.39 -0.02 -1.26 -1.49 135.00 133.16 3kgx n PRO 118 Ca -0.08 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3kgx n PRO 118 Cb 0.56 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3kgx n PRO 118 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kgx n GLY 119 N 2.91 2.14 3.74 -1.23 0.00 0.64 -4.94 105.19 108.46 3kgx n GLY 119 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3kgx n GLY 119 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kgx s ASP 120 N -1.82 6.63 0.06 1.61 1.01 -0.55 -4.38 116.67 119.23 3kgx s ASP 120 Ca 0.00 2.67 -0.31 0.00 0.71 0.00 0.00 52.55 55.62 3kgx s ASP 120 Cb 0.00 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.25 3kgx s ASP 120 CO 0.00 -0.73 1.22 -0.55 0.21 0.00 0.00 175.17 175.32 3kgx s SER 121 N 0.50 7.05 -0.03 0.27 0.15 -1.26 -0.27 113.70 120.11 3kgx s SER 121 Ca 0.61 2.04 0.03 0.00 0.70 0.00 0.00 55.95 59.32 3kgx s SER 121 Cb -0.42 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.31 3kgx s SER 121 CO 0.41 -0.50 -0.10 0.12 1.20 0.00 0.00 173.24 174.38 3kgx s PHE 122 N 1.14 1.00 -0.09 3.44 5.36 -0.30 -1.14 117.98 127.39 3kgx s PHE 122 Ca 0.59 -0.25 0.04 0.00 -0.96 0.00 0.00 56.93 56.35 3kgx s PHE 122 Cb -0.30 -0.71 -0.01 0.00 -0.34 0.00 0.00 43.02 41.67 3kgx s PHE 122 CO 0.29 -0.10 -0.21 -1.17 -1.46 0.00 0.00 175.22 172.57 3kgx s LEU 123 N 0.18 2.27 0.02 6.12 2.96 -0.56 -0.88 118.68 128.79 3kgx s LEU 123 Ca -0.03 -0.47 0.07 0.00 -0.22 0.00 0.00 54.13 53.48 3kgx s LEU 123 Cb -0.09 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.13 3kgx s LEU 123 CO 0.01 0.20 -0.20 0.42 -1.32 0.00 0.00 176.35 175.45 3kgx s THR 124 N 0.14 1.62 -1.08 3.68 -4.23 -0.70 -0.68 115.64 114.39 3kgx s THR 124 Ca -0.11 -1.05 -0.17 0.00 -1.18 0.00 0.00 61.69 59.18 3kgx s THR 124 Cb -0.16 -1.39 0.13 0.00 1.34 0.00 0.00 72.50 72.43 3kgx s THR 124 CO 0.06 0.31 1.32 -0.83 -0.54 0.00 0.00 174.62 174.94 3kgx s GLY 125 N -0.88 2.03 -1.12 3.99 0.00 -0.26 -1.30 107.32 109.77 3kgx s GLY 125 Ca 0.07 -2.96 -0.18 0.00 0.00 0.00 0.00 44.72 41.66 3kgx s GLY 125 CO 0.01 2.15 1.42 -1.59 0.00 0.00 0.00 173.10 175.09 3kgx s THR 126 N 2.60 4.56 -0.11 0.90 2.01 -0.62 -4.36 115.64 120.62 3kgx s THR 126 Ca 0.40 -1.88 0.15 0.00 0.31 0.00 0.00 61.69 60.67 3kgx s THR 126 Cb -0.03 -4.97 0.24 0.00 0.01 0.00 0.00 72.50 67.75 3kgx s THR 126 CO -0.04 -1.74 1.12 -0.46 -0.69 0.00 0.00 174.62 172.81 3kgx n ASN 127 N 7.05 2.08 0.00 3.53 6.94 -1.26 -1.98 115.26 131.61 3kgx n ASN 127 Ca 0.35 -2.87 0.00 0.00 -0.02 0.00 0.00 54.58 52.04 3kgx n ASN 127 Cb 0.47 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 3kgx n ASN 127 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kgx n GLY 128 N -1.21 -1.10 0.22 4.83 0.00 -1.26 -4.26 105.19 102.40 3kgx n GLY 128 Ca 0.13 -0.87 0.01 0.00 0.00 0.00 0.00 46.02 45.29 3kgx n GLY 128 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kgx h ILE 129 N 0.00 1.24 -0.24 -0.61 2.10 -1.94 -3.16 117.51 114.90 3kgx h ILE 129 Ca 0.00 -1.11 -0.20 0.00 1.08 0.00 0.00 64.86 64.63 3kgx h ILE 129 Cb 0.00 1.44 0.00 0.00 -1.09 0.00 0.00 36.82 37.18 3kgx h ILE 129 CO 0.00 0.33 -0.62 -0.50 -1.08 0.00 0.00 178.15 176.28 3kgx h TRP 130 N 0.18 1.07 -0.75 2.19 4.06 -1.95 -0.40 115.95 120.36 3kgx h TRP 130 Ca 0.03 -0.41 -0.05 0.00 2.06 0.00 0.00 58.89 60.51 3kgx h TRP 130 Cb 0.57 -0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 28.50 3kgx h TRP 130 CO 0.01 1.24 0.26 0.78 -3.56 0.00 0.00 178.44 177.17 3kgx h GLY 131 N 0.68 1.23 1.01 1.49 0.00 -1.76 -1.47 103.07 104.25 3kgx h GLY 131 Ca -0.01 -0.70 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 3kgx h GLY 131 CO 0.13 0.66 0.51 -0.33 0.00 0.00 0.00 176.54 177.51 3kgx h MET 132 N 1.11 1.14 -0.23 4.80 2.86 -1.45 -1.64 114.93 121.53 3kgx h MET 132 Ca 0.25 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 3kgx h MET 132 Cb 0.27 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3kgx h MET 132 CO -0.01 0.80 0.05 -0.09 1.06 0.00 0.00 176.91 178.72 3kgx h ARG 133 N 1.16 0.38 -0.62 1.72 9.65 -0.75 -1.47 114.38 124.45 3kgx h ARG 133 Ca 0.30 -0.09 0.03 0.00 -1.10 0.00 0.00 59.98 59.12 3kgx h ARG 133 Cb -0.05 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.45 3kgx h ARG 133 CO -0.06 0.50 0.37 0.00 2.80 0.00 0.00 179.97 183.58 3kgx h ALA 134 N 0.87 0.80 -0.77 2.80 0.00 -1.15 -1.75 119.26 120.06 3kgx h ALA 134 Ca 0.07 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3kgx h ALA 134 Cb 0.29 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3kgx h ALA 134 CO 0.00 0.11 0.48 0.00 0.00 0.00 0.00 179.25 179.83 3kgx h ALA 135 N 1.28 1.04 -0.09 0.00 0.00 -1.13 -0.37 119.26 119.98 3kgx h ALA 135 Ca 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3kgx h ALA 135 Cb 0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3kgx h ALA 135 CO -0.11 0.23 0.01 1.49 0.00 0.00 0.00 179.25 180.87 3kgx h GLU 136 N 0.90 0.15 -0.43 0.00 4.57 -0.92 -1.66 114.58 117.19 3kgx h GLU 136 Ca 0.33 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.46 3kgx h GLU 136 Cb 0.10 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 3kgx h GLU 136 CO -0.15 0.36 0.24 0.82 -1.18 0.00 0.00 179.01 179.11 3kgx h ILE 137 N -0.09 1.15 -0.69 2.32 2.04 -1.19 -0.94 117.51 120.12 3kgx h ILE 137 Ca 0.03 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3kgx h ILE 137 Cb 0.29 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3kgx h ILE 137 CO 0.00 0.16 0.39 0.00 0.00 0.00 0.00 178.15 178.70 3kgx h ALA 138 N 1.10 1.40 -0.46 1.87 0.00 -1.05 -2.08 119.26 120.04 3kgx h ALA 138 Ca 0.15 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3kgx h ALA 138 Cb 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3kgx h ALA 138 CO -0.03 0.51 0.11 0.22 0.00 0.00 0.00 179.25 180.06 3kgx h ASP 139 N 0.95 0.70 -0.24 0.00 3.58 -0.84 -1.56 116.42 119.01 3kgx h ASP 139 Ca 0.25 -0.24 0.03 0.00 0.42 0.00 0.00 57.03 57.49 3kgx h ASP 139 Cb -0.00 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 3kgx h ASP 139 CO -0.04 0.75 0.16 0.03 -2.88 0.00 0.00 179.24 177.26 3kgx h ARG 140 N 0.61 0.17 -0.32 0.28 3.08 -0.51 -2.23 114.38 115.46 3kgx h ARG 140 Ca 0.14 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3kgx h ARG 140 Cb 0.33 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3kgx h ARG 140 CO 0.00 0.11 0.00 0.44 -1.07 0.00 0.00 179.97 179.45 3kgx n ILE 141 N -4.49 0.41 -0.72 2.04 -5.35 -0.95 -4.96 119.36 105.34 3kgx n ILE 141 Ca 0.02 -0.55 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 3kgx n ILE 141 Cb 0.19 0.56 0.00 0.00 -1.74 0.00 0.00 39.64 38.65 3kgx n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kgx n GLY 142 N 1.29 0.59 3.80 3.28 0.00 -0.84 -4.05 105.19 109.25 3kgx n GLY 142 Ca 0.17 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 3kgx n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgx s ALA 143 N -2.00 2.68 -0.63 4.61 0.00 -0.60 -0.26 121.76 125.56 3kgx s ALA 143 Ca 0.00 0.41 -0.23 0.00 0.00 0.00 0.00 51.96 52.14 3kgx s ALA 143 Cb 0.00 -3.25 0.06 0.00 0.00 0.00 0.00 23.12 19.93 3kgx s ALA 143 CO 0.00 -0.92 0.97 1.03 0.00 0.00 0.00 175.76 176.84 3kgx s ARG 144 N -4.12 3.17 -0.13 0.00 0.52 0.63 -4.63 118.95 114.39 3kgx s ARG 144 Ca 0.64 -0.65 -0.18 0.00 -0.52 0.00 0.00 55.73 55.02 3kgx s ARG 144 Cb -0.17 -4.18 -0.04 0.00 0.52 0.00 0.00 34.95 31.08 3kgx s ARG 144 CO 0.39 -1.73 0.47 0.08 0.02 0.00 0.00 175.30 174.52 3kgx s VAL 145 N 4.09 5.19 -0.08 3.52 1.01 -1.26 -1.15 120.40 131.72 3kgx s VAL 145 Ca 0.25 0.92 0.02 0.00 0.00 0.00 0.00 61.98 63.17 3kgx s VAL 145 Cb -0.15 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.43 3kgx s VAL 145 CO 0.13 0.32 -0.15 -1.00 0.00 0.00 0.00 175.10 174.40 3kgx s HIS 146 N 0.68 1.73 -0.05 5.22 3.76 -0.06 -4.97 115.29 121.60 3kgx s HIS 146 Ca 0.25 -0.69 0.05 0.00 -0.15 0.00 0.00 55.06 54.52 3kgx s HIS 146 Cb -0.15 -1.24 -0.02 0.00 1.11 0.00 0.00 32.58 32.28 3kgx s HIS 146 CO 0.10 -0.34 -0.21 -0.65 -0.85 0.00 0.00 174.74 172.79 3kgx s GLN 147 N 0.69 2.50 -0.53 1.40 -0.21 -1.26 -1.73 119.66 120.53 3kgx s GLN 147 Ca -0.14 -0.82 -0.17 0.00 0.02 0.00 0.00 55.36 54.25 3kgx s GLN 147 Cb -0.16 -2.25 0.10 0.00 1.00 0.00 0.00 33.01 31.70 3kgx s GLN 147 CO 0.03 0.49 0.54 -1.64 -2.12 0.00 0.00 175.29 172.60 3kgx s MET 148 N -0.42 3.02 -0.20 2.91 -1.94 -0.42 -4.95 119.30 117.30 3kgx s MET 148 Ca 0.04 -1.38 -0.21 0.00 -1.71 0.00 0.00 55.69 52.43 3kgx s MET 148 Cb -0.12 -4.21 -0.02 0.00 2.01 0.00 0.00 34.83 32.48 3kgx s MET 148 CO 0.02 -1.29 0.63 0.42 -0.01 0.00 0.00 175.02 174.79 3kgx s ILE 149 N 2.06 5.02 0.21 2.53 1.01 -1.26 -1.59 121.20 129.18 3kgx s ILE 149 Ca 0.07 1.18 0.08 0.00 0.00 0.00 0.00 60.65 61.99 3kgx s ILE 149 Cb -0.25 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 3kgx s ILE 149 CO 0.06 0.11 -0.15 -0.54 0.00 0.00 0.00 174.94 174.42 3kgx s LYS 150 N 1.94 1.35 0.49 2.79 1.02 -0.84 -5.03 119.74 121.46 3kgx s LYS 150 Ca 0.29 -1.60 -0.22 0.00 0.02 0.00 0.00 55.97 54.46 3kgx s LYS 150 Cb -0.16 -1.17 -0.07 0.00 -0.52 0.00 0.00 37.83 35.92 3kgx s LYS 150 CO 0.10 0.20 1.19 0.15 -0.92 0.00 0.00 175.35 176.07 3kgx s LYS 151 N -3.62 3.59 0.28 1.68 1.02 -1.26 -4.47 119.74 116.96 3kgx s LYS 151 Ca 0.23 1.82 -0.30 0.00 0.02 0.00 0.00 55.97 57.74 3kgx s LYS 151 Cb -0.01 -2.32 -0.12 0.00 -0.52 0.00 0.00 37.83 34.86 3kgx s LYS 151 CO 0.07 -0.71 1.49 -2.30 -0.92 0.00 0.00 175.35 172.98 3kgx n PRO 152 N -0.71 2.38 -0.01 -1.68 -0.02 -1.26 -2.35 135.00 131.35 3kgx n PRO 152 Ca 0.09 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3kgx n PRO 152 Cb 0.48 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3kgx n PRO 152 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kgx n GLY 153 N 1.95 0.39 3.67 -1.23 0.00 -1.26 -5.03 105.19 103.68 3kgx n GLY 153 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 3kgx n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kgx s GLU 154 N -0.99 2.34 0.39 1.61 2.02 -0.99 -4.63 118.70 118.44 3kgx s GLU 154 Ca 0.00 -1.43 0.08 0.00 0.02 0.00 0.00 54.97 53.64 3kgx s GLU 154 Cb 0.00 -2.18 -0.07 0.00 0.10 0.00 0.00 34.13 31.98 3kgx s GLU 154 CO 0.00 0.31 -0.03 -3.38 0.02 0.00 0.00 175.26 172.18 3kgx s HIS 155 N -2.34 2.48 -0.09 1.61 -3.43 -1.26 -4.92 115.29 107.34 3kgx s HIS 155 Ca 0.33 -0.61 -0.16 0.00 -0.80 0.00 0.00 55.06 53.82 3kgx s HIS 155 Cb -0.05 -1.64 -0.05 0.00 -1.43 0.00 0.00 32.58 29.41 3kgx s HIS 155 CO 0.21 0.50 0.40 0.71 -2.00 0.00 0.00 174.74 174.56 3kgx s TYR 156 N -2.67 3.58 0.46 0.38 2.02 -1.26 -5.10 117.35 114.76 3kgx s TYR 156 Ca 0.34 0.85 -0.05 0.00 -0.37 0.00 0.00 57.07 57.84 3kgx s TYR 156 Cb 0.07 -2.40 -0.04 0.00 -0.40 0.00 0.00 41.96 39.19 3kgx s TYR 156 CO 0.18 0.36 0.76 0.95 -1.57 0.00 0.00 175.55 176.22 3kgx s THR 157 N -0.04 4.92 0.39 -0.71 -4.23 -1.26 -4.81 115.64 109.90 3kgx s THR 157 Ca 0.23 0.16 0.06 0.00 -1.18 0.00 0.00 61.69 60.96 3kgx s THR 157 Cb -0.15 -3.85 0.28 0.00 1.34 0.00 0.00 72.50 70.11 3kgx s THR 157 CO 0.10 -0.79 2.02 -0.07 -0.54 0.00 0.00 174.62 175.33 3kgx h LEU 158 N 0.37 0.57 -0.16 4.79 3.38 -1.98 -2.45 115.31 119.83 3kgx h LEU 158 Ca -0.47 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 3kgx h LEU 158 Cb 1.20 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3kgx h LEU 158 CO 0.62 0.39 0.07 -0.61 0.09 0.00 0.00 178.44 179.00 3kgx h GLN 159 N 0.66 0.23 -0.42 1.13 4.15 -1.99 -0.89 115.11 117.98 3kgx h GLN 159 Ca 0.22 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.60 3kgx h GLN 159 Cb 0.07 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 3kgx h GLN 159 CO -0.06 0.30 0.27 0.93 -1.93 0.00 0.00 178.83 178.34 3kgx h GLU 160 N 0.11 0.56 -0.62 1.69 5.08 -1.88 -1.66 114.58 117.86 3kgx h GLU 160 Ca 0.05 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3kgx h GLU 160 Cb 0.15 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3kgx h GLU 160 CO -0.01 0.39 0.19 0.28 -1.00 0.00 0.00 179.01 178.86 3kgx h VAL 161 N 0.56 1.24 -0.65 3.13 2.07 -1.36 -2.28 116.25 118.97 3kgx h VAL 161 Ca 0.15 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 3kgx h VAL 161 Cb -0.04 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3kgx h VAL 161 CO -0.03 0.32 0.35 -0.08 0.02 0.00 0.00 177.57 178.15 3kgx h GLU 162 N 0.88 0.92 -0.90 1.57 4.81 -0.86 0.56 114.58 121.56 3kgx h GLU 162 Ca 0.20 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3kgx h GLU 162 Cb 0.29 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3kgx h GLU 162 CO -0.01 0.70 0.51 0.93 -0.73 0.00 0.00 179.01 180.41 3kgx h GLU 163 N 0.89 1.24 -0.34 1.92 5.08 -1.18 0.12 114.58 122.31 3kgx h GLU 163 Ca 0.23 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3kgx h GLU 163 Cb 0.06 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3kgx h GLU 163 CO -0.04 0.89 0.05 0.78 -1.00 0.00 0.00 179.01 179.70 3kgx h GLY 164 N 1.25 0.61 0.98 -3.84 0.00 -0.86 -1.53 103.07 99.68 3kgx h GLY 164 Ca 0.32 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3kgx h GLY 164 CO -0.05 0.38 0.02 1.41 0.00 0.00 0.00 176.54 178.29 3kgx h LEU 165 N 0.40 0.04 -0.34 3.11 3.38 -0.67 -1.04 115.31 120.19 3kgx h LEU 165 Ca 0.10 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3kgx h LEU 165 Cb 0.36 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3kgx h LEU 165 CO 0.01 0.05 0.15 0.00 0.09 0.00 0.00 178.44 178.74 3kgx h ALA 166 N 0.99 0.40 0.04 1.53 0.00 -0.98 0.49 119.26 121.72 3kgx h ALA 166 Ca 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kgx h ALA 166 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kgx h ALA 166 CO -0.00 -0.24 -0.02 0.37 0.00 0.00 0.00 179.25 179.36 3kgx h GLN 167 N 0.31 -0.05 0.00 0.00 4.15 -1.23 -3.37 115.11 114.93 3kgx h GLN 167 Ca 0.15 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3kgx h GLN 167 Cb 0.08 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.78 3kgx h GLN 167 CO -0.12 0.30 -1.08 0.72 -1.93 0.00 0.00 178.83 176.72 3kgx n HIS 168 N -4.94 0.12 -3.96 3.99 8.25 -0.40 -5.01 115.22 113.26 3kgx n HIS 168 Ca -0.08 0.03 -0.31 0.00 -0.26 0.00 0.00 57.72 57.10 3kgx n HIS 168 Cb 0.20 -0.28 -0.01 0.00 1.12 0.00 0.00 29.99 31.01 3kgx n HIS 168 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kgx n LYS 169 N -1.80 -1.94 -2.27 -0.41 5.02 0.16 -4.90 118.16 112.02 3kgx n LYS 169 Ca 0.02 0.32 -0.34 0.00 -2.02 0.00 0.00 58.31 56.29 3kgx n LYS 169 Cb 0.41 -3.96 -0.00 0.00 -0.02 0.00 0.00 35.03 31.45 3kgx n LYS 169 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kgx s PRO 170 N -6.68 3.43 0.39 1.97 0.04 -1.26 -4.76 135.00 128.12 3kgx s PRO 170 Ca 0.20 1.46 0.22 0.00 0.04 0.00 0.00 61.00 62.92 3kgx s PRO 170 Cb -0.09 -2.03 0.26 0.00 0.04 0.00 0.00 34.50 32.68 3kgx s PRO 170 CO 0.91 -0.76 1.51 -0.39 0.04 0.00 0.00 177.00 178.32 3kgx h VAL 171 N 1.09 0.11 -3.00 -0.36 -1.51 -1.43 -3.40 116.25 107.76 3kgx h VAL 171 Ca -0.49 -1.17 -0.17 0.00 -1.23 0.00 0.00 66.70 63.65 3kgx h VAL 171 Cb 1.24 2.00 -0.27 0.00 -2.13 0.00 0.00 31.29 32.13 3kgx h VAL 171 CO 0.57 0.07 -0.41 -0.22 -1.23 0.00 0.00 177.57 176.34 3kgx s LEU 172 N -6.14 0.64 -0.12 4.19 2.96 -1.25 -1.40 118.68 117.56 3kgx s LEU 172 Ca 0.06 0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 54.54 3kgx s LEU 172 Cb 0.06 0.92 -0.02 0.00 0.50 0.00 0.00 46.19 47.64 3kgx s LEU 172 CO 0.69 -0.13 -0.07 -0.22 -1.32 0.00 0.00 176.35 175.30 3kgx s LEU 173 N 0.67 3.07 -0.25 -0.68 2.96 -0.04 -1.50 118.68 122.91 3kgx s LEU 173 Ca -0.04 -0.16 -0.08 0.00 -0.22 0.00 0.00 54.13 53.63 3kgx s LEU 173 Cb -0.06 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 3kgx s LEU 173 CO -0.04 0.23 0.09 0.12 -1.32 0.00 0.00 176.35 175.42 3kgx s PHE 174 N 0.01 3.11 -0.06 5.38 5.36 0.14 -1.07 117.98 130.86 3kgx s PHE 174 Ca -0.01 -0.34 0.03 0.00 -0.96 0.00 0.00 56.93 55.65 3kgx s PHE 174 Cb -0.14 -2.26 0.01 0.00 -0.34 0.00 0.00 43.02 40.29 3kgx s PHE 174 CO 0.03 -0.32 -0.14 -1.17 -1.46 0.00 0.00 175.22 172.16 3kgx s LEU 175 N 1.61 1.76 -0.25 6.12 2.96 -0.50 -1.10 118.68 129.28 3kgx s LEU 175 Ca 0.06 -0.32 -0.16 0.00 -0.22 0.00 0.00 54.13 53.50 3kgx s LEU 175 Cb -0.15 -0.87 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 3kgx s LEU 175 CO 0.05 0.08 0.42 -0.69 -1.32 0.00 0.00 176.35 174.88 3kgx s VAL 176 N 0.43 5.15 -0.10 1.68 1.01 -1.26 -1.89 120.40 125.42 3kgx s VAL 176 Ca -0.11 0.70 -0.16 0.00 0.00 0.00 0.00 61.98 62.41 3kgx s VAL 176 Cb -0.14 -3.74 -0.13 0.00 0.00 0.00 0.00 36.38 32.36 3kgx s VAL 176 CO 0.03 0.17 0.49 -0.74 0.00 0.00 0.00 175.10 175.05 3kgx h HIS 177 N 7.88 -0.06 -3.50 5.22 2.76 -1.44 -3.40 115.15 122.61 3kgx h HIS 177 Ca -0.32 -0.00 -0.74 0.00 -2.20 0.00 0.00 60.37 57.11 3kgx h HIS 177 Cb 1.16 0.02 -0.30 0.00 1.55 0.00 0.00 27.41 29.83 3kgx h HIS 177 CO 0.73 0.41 -0.25 0.20 -1.30 0.00 0.00 177.93 177.72 3kgx s GLY 178 N -3.71 2.35 -0.98 5.26 0.00 -1.24 -1.08 107.32 107.91 3kgx s GLY 178 Ca -0.10 -2.96 -0.21 0.00 0.00 0.00 0.00 44.72 41.45 3kgx s GLY 178 CO 0.37 1.15 1.30 1.85 0.00 0.00 0.00 173.10 177.76 3kgx s GLU 179 N 0.62 3.60 0.54 2.90 -6.30 0.31 -4.42 118.70 115.95 3kgx s GLU 179 Ca 0.12 -1.44 0.32 0.00 -2.50 0.00 0.00 54.97 51.47 3kgx s GLU 179 Cb -0.20 -5.15 1.40 0.00 0.00 0.00 0.00 34.13 30.18 3kgx s GLU 179 CO -0.04 -2.00 2.01 0.66 0.02 0.00 0.00 175.26 175.91 3kgx h SER 180 N 9.32 0.00 0.89 -1.70 4.64 -1.94 0.58 113.55 125.34 3kgx h SER 180 Ca 0.18 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.37 3kgx h SER 180 Cb 1.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 3kgx h SER 180 CO 1.28 0.07 -0.61 0.77 -0.87 0.00 0.00 176.83 177.46 3kgx h SER 181 N 0.00 0.00 -0.00 4.97 4.64 -1.88 -3.37 113.55 117.91 3kgx h SER 181 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kgx h SER 181 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3kgx h SER 181 CO 0.01 0.61 -0.14 0.35 -0.87 0.00 0.00 176.83 176.79 3kgx n THR 182 N -3.54 0.00 -1.99 2.95 -2.24 -1.06 -4.38 114.28 104.01 3kgx n THR 182 Ca -0.00 -0.43 -0.06 0.00 -2.27 0.00 0.00 64.05 61.29 3kgx n THR 182 Cb 0.67 1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.92 3kgx n THR 182 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kgx n GLY 183 N 0.88 0.22 3.63 3.38 0.00 0.17 -4.57 105.19 108.89 3kgx n GLY 183 Ca 0.01 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 3kgx n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kgx s VAL 184 N -2.29 4.33 -0.21 1.61 1.01 -1.02 -1.04 120.40 122.78 3kgx s VAL 184 Ca 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 3kgx s VAL 184 Cb 0.00 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 3kgx s VAL 184 CO 0.00 0.55 0.01 0.54 0.00 0.00 0.00 175.10 176.20 3kgx s VAL 185 N -0.29 4.04 -0.19 2.92 0.11 -0.14 -0.53 120.40 126.34 3kgx s VAL 185 Ca 0.06 -0.28 -0.22 0.00 -2.93 0.00 0.00 61.98 58.61 3kgx s VAL 185 Cb -0.12 -2.84 -0.02 0.00 -1.53 0.00 0.00 36.38 31.87 3kgx s VAL 185 CO 0.02 0.41 0.70 -1.58 -3.33 0.00 0.00 175.10 171.33 3kgx s GLN 186 N 1.10 4.25 0.32 1.54 2.00 -0.24 -4.68 119.66 123.95 3kgx s GLN 186 Ca 0.03 0.76 -0.29 0.00 -2.00 0.00 0.00 55.36 53.86 3kgx s GLN 186 Cb -0.14 -3.57 -0.12 0.00 0.80 0.00 0.00 33.01 29.97 3kgx s GLN 186 CO 0.02 -0.27 1.50 -2.30 -0.50 0.00 0.00 175.29 173.74 3kgx n PRO 187 N 5.09 2.55 -0.01 1.67 -0.02 -1.26 -4.87 135.00 138.16 3kgx n PRO 187 Ca 0.01 0.90 0.06 0.00 -2.02 0.00 0.00 63.50 62.45 3kgx n PRO 187 Cb 0.49 -2.63 -0.10 0.00 -0.02 0.00 0.00 33.50 31.25 3kgx n PRO 187 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3kgx n LEU 188 N 1.38 0.04 -4.71 2.45 4.77 -1.26 -4.94 117.00 114.73 3kgx n LEU 188 Ca 0.06 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 3kgx n LEU 188 Cb 0.37 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 3kgx n LEU 188 CO 0.64 0.01 1.41 -1.81 -1.33 0.00 0.00 177.39 176.30 3kgx s ASP 189 N -3.37 6.40 0.00 -1.43 1.01 -1.26 -2.66 116.67 115.36 3kgx s ASP 189 Ca -0.04 2.83 0.00 0.00 0.71 0.00 0.00 52.55 56.05 3kgx s ASP 189 Cb 0.08 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.42 3kgx s ASP 189 CO 0.52 -0.98 0.00 0.61 0.21 0.00 0.00 175.17 175.53 3kgx n GLY 190 N 4.07 2.83 0.22 0.21 0.00 -1.26 -4.92 105.19 106.34 3kgx n GLY 190 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 3kgx n GLY 190 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kgx h PHE 191 N 0.00 0.92 0.35 1.61 -1.00 -1.78 -1.82 116.94 115.21 3kgx h PHE 191 Ca 0.00 -0.30 -0.02 0.00 2.81 0.00 0.00 57.97 60.47 3kgx h PHE 191 Cb 0.00 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.38 3kgx h PHE 191 CO 0.00 1.07 -0.17 0.78 -1.61 0.00 0.00 178.31 178.38 3kgx h GLY 192 N 0.50 -0.49 0.52 -1.45 0.00 -1.76 -0.37 103.07 100.02 3kgx h GLY 192 Ca 0.03 0.19 0.07 0.00 0.00 0.00 0.00 47.33 47.63 3kgx h GLY 192 CO 0.09 -0.18 0.25 -2.09 0.00 0.00 0.00 176.54 174.61 3kgx h GLU 193 N -0.47 0.45 0.06 4.80 4.22 -1.77 -1.03 114.58 120.83 3kgx h GLU 193 Ca -0.05 -0.03 0.01 0.00 0.08 0.00 0.00 59.36 59.38 3kgx h GLU 193 Cb 0.37 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3kgx h GLU 193 CO 0.07 0.30 -0.13 1.25 -2.18 0.00 0.00 179.01 178.32 3kgx h LEU 194 N 0.46 -0.38 -0.77 1.64 5.85 -1.20 -2.55 115.31 118.37 3kgx h LEU 194 Ca 0.28 0.05 0.11 0.00 0.84 0.00 0.00 57.88 59.16 3kgx h LEU 194 Cb 0.28 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.38 3kgx h LEU 194 CO -0.25 -0.20 0.39 0.00 -0.34 0.00 0.00 178.44 178.04 3kgx h HIS 196 N 0.62 0.39 0.00 0.00 3.86 -1.00 -0.69 115.15 118.33 3kgx h HIS 196 Ca 0.39 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.55 3kgx h HIS 196 Cb 0.47 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.83 3kgx h HIS 196 CO -0.10 0.45 -0.04 0.00 0.86 0.00 0.00 177.93 179.10 3kgx h ARG 197 N 0.36 0.00 -0.47 2.45 3.08 -1.00 -1.82 114.38 116.97 3kgx h ARG 197 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3kgx h ARG 197 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3kgx h ARG 197 CO 0.02 0.04 0.00 0.66 -1.07 0.00 0.00 179.97 179.62 3kgx n TYR 198 N -3.78 1.38 -3.54 3.04 4.02 -0.41 -4.97 117.16 112.89 3kgx n TYR 198 Ca -0.03 -0.72 -0.26 0.00 -0.01 0.00 0.00 57.90 56.89 3kgx n TYR 198 Cb 0.13 -0.32 0.02 0.00 -0.02 0.00 0.00 39.34 39.16 3kgx n TYR 198 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3kgx n GLN 199 N 0.41 -4.95 -4.96 -0.72 3.00 -0.68 -4.88 117.38 104.59 3kgx n GLN 199 Ca 0.23 0.65 -0.32 0.00 -0.01 0.00 0.00 57.00 57.55 3kgx n GLN 199 Cb 0.93 -5.49 -0.14 0.00 0.00 0.00 0.00 30.24 25.54 3kgx n GLN 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3kgx s LEU 201 N -0.80 4.16 -0.24 0.00 1.43 -0.50 -3.54 118.68 119.19 3kgx s LEU 201 Ca 0.12 1.21 -0.06 0.00 -1.03 0.00 0.00 54.13 54.36 3kgx s LEU 201 Cb -0.10 -3.83 -0.02 0.00 0.03 0.00 0.00 46.19 42.27 3kgx s LEU 201 CO 0.01 -0.11 0.02 -0.22 0.23 0.00 0.00 176.35 176.28 3kgx s LEU 202 N -2.68 3.27 -0.21 1.79 2.96 -1.26 -0.86 118.68 121.69 3kgx s LEU 202 Ca 0.49 -0.35 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 3kgx s LEU 202 Cb -0.12 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 3kgx s LEU 202 CO 0.19 -0.05 0.02 -0.22 -1.32 0.00 0.00 176.35 174.97 3kgx s LEU 203 N 1.54 3.39 -0.08 -0.68 2.96 -0.23 -1.24 118.68 124.35 3kgx s LEU 203 Ca 0.06 -0.16 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 3kgx s LEU 203 Cb -0.15 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 3kgx s LEU 203 CO 0.01 0.06 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.21 3kgx s VAL 204 N 1.02 2.52 -0.34 1.68 1.01 -0.18 -1.41 120.40 124.69 3kgx s VAL 204 Ca 0.03 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 3kgx s VAL 204 Cb -0.14 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 3kgx s VAL 204 CO 0.02 0.56 0.38 -0.62 0.00 0.00 0.00 175.10 175.44 3kgx s ASP 205 N -0.12 6.19 -0.20 3.32 -1.08 -0.79 -2.23 116.67 121.76 3kgx s ASP 205 Ca -0.03 -0.22 0.12 0.00 -0.52 0.00 0.00 52.55 51.90 3kgx s ASP 205 Cb -0.14 -2.20 0.41 0.00 -1.46 0.00 0.00 42.92 39.52 3kgx s ASP 205 CO 0.04 -0.36 1.21 -1.54 0.52 0.00 0.00 175.17 175.05 3kgx n SER 206 N 5.42 1.75 -0.14 -0.34 3.41 -0.36 -1.09 113.62 122.26 3kgx n SER 206 Ca -0.09 -3.78 -0.04 0.00 -0.26 0.00 0.00 58.87 54.71 3kgx n SER 206 Cb 0.49 -0.51 0.03 0.00 -0.26 0.00 0.00 64.21 63.96 3kgx n SER 206 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3kgx h VAL 207 N 1.08 0.56 -0.01 -3.33 2.07 -1.88 -0.82 116.25 113.92 3kgx h VAL 207 Ca -0.01 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3kgx h VAL 207 Cb 1.02 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3kgx h VAL 207 CO 0.00 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.32 3kgx n ALA 208 N -2.76 3.13 -0.03 1.67 0.00 -1.26 -4.40 120.51 116.86 3kgx n ALA 208 Ca 0.04 -0.47 -0.03 0.00 0.00 0.00 0.00 53.44 52.98 3kgx n ALA 208 Cb 0.25 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 3kgx n ALA 208 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kgx n SER 209 N -0.39 3.70 -4.67 0.00 3.41 -1.09 -4.75 113.62 109.82 3kgx n SER 209 Ca 0.12 -0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.27 3kgx n SER 209 Cb 0.38 0.60 -0.04 0.00 -0.26 0.00 0.00 64.21 64.89 3kgx n SER 209 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3kgx n LEU 210 N -2.21 3.25 0.00 1.04 7.94 -0.33 -1.18 117.00 125.50 3kgx n LEU 210 Ca -0.09 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.86 3kgx n LEU 210 Cb 0.67 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 43.20 3kgx n LEU 210 CO 0.11 -0.20 0.00 0.61 -1.11 0.00 0.00 177.39 176.80 3kgx n GLY 211 N 3.75 3.29 0.00 -3.96 0.00 -1.26 -4.45 105.19 102.55 3kgx n GLY 211 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 3kgx n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgx n GLY 212 N -1.96 -0.28 3.10 -0.02 0.00 -0.49 -4.14 105.19 101.41 3kgx n GLY 212 Ca 0.00 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 3kgx n GLY 212 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kgx s VAL 213 N -2.43 1.11 0.11 1.61 1.01 -0.33 -4.65 120.40 116.84 3kgx s VAL 213 Ca -0.02 -0.59 -0.34 0.00 0.00 0.00 0.00 61.98 61.02 3kgx s VAL 213 Cb 0.04 -0.93 -0.14 0.00 0.00 0.00 0.00 36.38 35.36 3kgx s VAL 213 CO 0.29 0.32 1.63 -2.65 0.00 0.00 0.00 175.10 174.68 3kgx n PRO 214 N 2.80 2.14 -3.81 2.72 -0.02 -1.26 -4.72 135.00 132.84 3kgx n PRO 214 Ca -0.15 0.77 -0.13 0.00 -2.02 0.00 0.00 63.50 61.98 3kgx n PRO 214 Cb 0.55 -2.55 -0.14 0.00 -0.02 0.00 0.00 33.50 31.34 3kgx n PRO 214 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kgx s ILE 215 N 1.47 -0.01 -0.43 4.25 1.01 -1.26 -5.04 121.20 121.18 3kgx s ILE 215 Ca 0.81 0.05 0.02 0.00 0.00 0.00 0.00 60.65 61.54 3kgx s ILE 215 Cb -0.69 -0.17 0.15 0.00 0.01 0.00 0.00 42.46 41.77 3kgx s ILE 215 CO 0.40 0.02 0.28 -0.31 0.00 0.00 0.00 174.94 175.33 3kgx s TYR 216 N 0.36 1.60 0.13 3.97 1.51 -1.26 -4.68 117.35 118.98 3kgx s TYR 216 Ca -0.03 -2.27 -0.28 0.00 -1.01 0.00 0.00 57.07 53.48 3kgx s TYR 216 Cb -0.04 -1.50 -0.06 0.00 -0.11 0.00 0.00 41.96 40.25 3kgx s TYR 216 CO -0.01 -0.78 1.60 1.98 -1.11 0.00 0.00 175.55 177.22 3kgx h MET 217 N 6.46 -0.50 -0.06 -0.62 4.05 -1.30 -0.23 114.93 122.73 3kgx h MET 217 Ca 0.08 0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.53 3kgx h MET 217 Cb 0.92 0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.83 3kgx h MET 217 CO 0.42 -0.33 -0.00 -0.44 0.23 0.00 0.00 176.91 176.79 3kgx h ASP 218 N -0.51 0.11 0.16 1.39 5.19 -1.78 -1.47 116.42 119.51 3kgx h ASP 218 Ca 0.06 -0.32 -0.03 0.00 -0.62 0.00 0.00 57.03 56.12 3kgx h ASP 218 Cb 0.61 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.09 3kgx h ASP 218 CO -0.31 0.40 -0.13 1.56 -3.12 0.00 0.00 179.24 177.64 3kgx h GLN 219 N -0.19 0.00 -0.31 3.56 4.20 -1.80 -1.70 115.11 118.87 3kgx h GLN 219 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3kgx h GLN 219 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3kgx h GLN 219 CO 0.00 0.13 0.00 1.04 -0.67 0.00 0.00 178.83 179.33 3kgx n GLN 220 N -4.22 1.98 -2.56 1.46 6.02 -0.11 -4.96 117.38 115.00 3kgx n GLN 220 Ca -0.02 -1.49 -0.18 0.00 -0.01 0.00 0.00 57.00 55.30 3kgx n GLN 220 Cb 0.21 -1.39 0.01 0.00 1.02 0.00 0.00 30.24 30.08 3kgx n GLN 220 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kgx n GLY 221 N 1.22 -0.35 3.66 1.08 0.00 -0.64 -3.63 105.19 106.53 3kgx n GLY 221 Ca 0.16 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3kgx n GLY 221 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kgx s ILE 222 N -2.96 4.88 -0.04 -0.61 1.01 -0.56 -4.38 121.20 118.53 3kgx s ILE 222 Ca 0.10 1.55 -0.09 0.00 0.00 0.00 0.00 60.65 62.21 3kgx s ILE 222 Cb -0.04 -4.11 -0.30 0.00 0.01 0.00 0.00 42.46 38.02 3kgx s ILE 222 CO 0.12 -0.01 0.70 0.44 0.00 0.00 0.00 174.94 176.20 3kgx h ASP 223 N 7.50 0.57 -3.91 3.58 3.32 -1.47 -3.42 116.42 122.60 3kgx h ASP 223 Ca -0.27 -0.85 -0.39 0.00 0.02 0.00 0.00 57.03 55.55 3kgx h ASP 223 Cb 1.12 -0.19 -0.30 0.00 0.22 0.00 0.00 39.33 40.18 3kgx h ASP 223 CO 0.84 1.72 -0.77 -0.63 -1.72 0.00 0.00 179.24 178.68 3kgx s ILE 224 N -2.59 0.64 -0.05 0.35 1.09 -0.53 -1.28 121.20 118.84 3kgx s ILE 224 Ca -0.15 -0.32 -0.08 0.00 -1.10 0.00 0.00 60.65 59.01 3kgx s ILE 224 Cb 0.06 -0.56 0.01 0.00 -1.06 0.00 0.00 42.46 40.92 3kgx s ILE 224 CO 0.85 0.19 0.19 -0.32 -0.10 0.00 0.00 174.94 175.75 3kgx s MET 225 N -0.01 0.34 0.09 2.79 1.75 -0.85 -1.01 119.30 122.40 3kgx s MET 225 Ca 0.00 0.03 0.03 0.00 -1.25 0.00 0.00 55.69 54.51 3kgx s MET 225 Cb -0.05 0.15 -0.03 0.00 2.84 0.00 0.00 34.83 37.74 3kgx s MET 225 CO -0.00 -0.07 -0.09 1.52 -0.65 0.00 0.00 175.02 175.73 3kgx s TYR 226 N -0.47 0.97 0.32 4.11 -0.85 -0.95 -1.66 117.35 118.83 3kgx s TYR 226 Ca -0.06 -0.67 -0.01 0.00 -0.52 0.00 0.00 57.07 55.82 3kgx s TYR 226 Cb -0.04 -0.54 0.00 0.00 0.38 0.00 0.00 41.96 41.77 3kgx s TYR 226 CO 0.01 -0.04 0.43 0.45 -1.52 0.00 0.00 175.55 174.88 3kgx n SER 227 N 0.64 -1.20 -4.23 -0.18 2.88 -0.45 -1.22 113.62 109.85 3kgx n SER 227 Ca -0.17 -2.77 -0.14 0.00 -1.33 0.00 0.00 58.87 54.47 3kgx n SER 227 Cb 0.58 2.27 -0.10 0.00 -0.75 0.00 0.00 64.21 66.20 3kgx n SER 227 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3kgx s SER 228 N -3.01 0.60 0.00 -3.46 1.04 -1.26 -0.67 113.70 106.94 3kgx s SER 228 Ca 0.28 -1.39 0.25 0.00 0.48 0.00 0.00 55.95 55.57 3kgx s SER 228 Cb -0.01 0.30 0.58 0.00 0.10 0.00 0.00 66.02 66.99 3kgx s SER 228 CO 0.20 -0.80 1.46 -1.54 0.98 0.00 0.00 173.24 173.53 3kgx n SER 229 N -0.37 1.08 -1.33 7.02 3.41 -0.45 -4.34 113.62 118.64 3kgx n SER 229 Ca 0.01 -0.88 0.09 0.00 -0.26 0.00 0.00 58.87 57.83 3kgx n SER 229 Cb 0.66 0.23 0.31 0.00 -0.26 0.00 0.00 64.21 65.15 3kgx n SER 229 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kgx n GLN 230 N -0.72 3.28 0.00 4.33 3.00 -1.26 -0.89 117.38 125.11 3kgx n GLN 230 Ca 0.11 -2.70 0.00 0.00 -0.01 0.00 0.00 57.00 54.40 3kgx n GLN 230 Cb 0.36 -1.70 0.00 0.00 0.00 0.00 0.00 30.24 28.90 3kgx n GLN 230 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3kgx n LYS 231 N 1.06 0.00 -0.04 -1.09 4.76 -1.26 -3.67 118.16 117.92 3kgx n LYS 231 Ca 0.23 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.74 3kgx n LYS 231 Cb 0.75 0.00 0.45 0.00 -1.84 0.00 0.00 35.03 34.38 3kgx n LYS 231 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3kgx h VAL 232 N 0.00 1.03 0.00 -0.18 2.07 -1.82 -2.82 116.25 114.53 3kgx h VAL 232 Ca 0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3kgx h VAL 232 Cb 0.00 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3kgx h VAL 232 CO 0.00 0.09 0.00 -0.07 0.02 0.00 0.00 177.57 177.61 3kgx h LEU 233 N 0.52 0.00 -1.56 2.57 4.07 -1.81 -3.33 115.31 115.77 3kgx h LEU 233 Ca 0.20 0.00 -0.45 0.00 0.08 0.00 0.00 57.88 57.71 3kgx h LEU 233 Cb 0.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.90 3kgx h LEU 233 CO -0.05 0.00 -0.82 0.59 -1.08 0.00 0.00 178.44 177.08 3kgx n ASN 234 N -2.94 -2.07 -4.86 -0.43 5.03 -1.06 -4.75 115.26 104.16 3kgx n ASN 234 Ca -0.01 -0.85 -0.21 0.00 0.87 0.00 0.00 54.58 54.38 3kgx n ASN 234 Cb 0.17 -3.81 -0.03 0.00 -1.02 0.00 0.00 39.78 35.09 3kgx n ASN 234 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kgx s ALA 235 N -3.61 3.87 0.00 5.41 0.00 -0.07 -4.51 121.76 122.85 3kgx s ALA 235 Ca 0.21 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.54 3kgx s ALA 235 Cb -0.10 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.79 3kgx s ALA 235 CO 0.83 0.01 0.00 -2.30 0.00 0.00 0.00 175.76 174.31 3kgx n PRO 236 N -1.39 0.00 -0.30 0.00 -0.02 -1.26 -4.06 135.00 127.97 3kgx n PRO 236 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3kgx n PRO 236 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.07 3kgx n PRO 236 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kgx n PRO 237 N 0.00 0.00 0.00 0.52 -0.02 -1.26 -4.15 135.00 130.09 3kgx n PRO 237 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3kgx n PRO 237 Cb 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 33.50 33.40 3kgx n PRO 237 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kgx n GLY 238 N 1.18 2.30 3.13 -1.23 0.00 -1.26 -5.01 105.19 104.30 3kgx n GLY 238 Ca 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 3kgx n GLY 238 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kgx s ILE 239 N 0.00 0.57 0.09 -0.61 -4.36 -1.24 -2.85 121.20 112.80 3kgx s ILE 239 Ca 0.00 -1.72 0.07 0.00 -0.26 0.00 0.00 60.65 58.74 3kgx s ILE 239 Cb 0.00 -1.41 -0.04 0.00 1.25 0.00 0.00 42.46 42.26 3kgx s ILE 239 CO 0.00 -0.79 -0.12 -0.44 0.24 0.00 0.00 174.94 173.83 3kgx s SER 240 N -2.70 4.28 -0.11 4.36 0.01 -0.39 -1.34 113.70 117.81 3kgx s SER 240 Ca 0.06 -0.40 -0.01 0.00 1.31 0.00 0.00 55.95 56.92 3kgx s SER 240 Cb 0.02 -0.79 -0.02 0.00 0.21 0.00 0.00 66.02 65.44 3kgx s SER 240 CO -0.05 0.19 -0.09 -0.76 0.41 0.00 0.00 173.24 172.95 3kgx s LEU 241 N -2.06 2.96 -0.02 2.44 1.02 0.15 -1.56 118.68 121.61 3kgx s LEU 241 Ca 0.20 -0.19 -0.07 0.00 0.02 0.00 0.00 54.13 54.09 3kgx s LEU 241 Cb -0.11 -1.67 0.01 0.00 0.02 0.00 0.00 46.19 44.44 3kgx s LEU 241 CO 0.12 0.23 0.15 -0.51 0.02 0.00 0.00 176.35 176.36 3kgx s ILE 242 N -0.02 0.05 -0.06 -0.59 2.07 -0.22 -1.34 121.20 121.10 3kgx s ILE 242 Ca -0.02 -0.45 -0.05 0.00 -1.41 0.00 0.00 60.65 58.72 3kgx s ILE 242 Cb -0.14 -0.37 0.02 0.00 0.13 0.00 0.00 42.46 42.10 3kgx s ILE 242 CO 0.03 -0.25 0.15 -0.55 -1.91 0.00 0.00 174.94 172.42 3kgx s SER 243 N -0.88 -0.15 -0.08 4.50 0.15 -0.66 -1.26 113.70 115.32 3kgx s SER 243 Ca -0.10 0.30 0.03 0.00 0.70 0.00 0.00 55.95 56.89 3kgx s SER 243 Cb -0.05 0.29 0.01 0.00 -1.71 0.00 0.00 66.02 64.56 3kgx s SER 243 CO 0.01 -0.06 -0.16 -0.36 1.20 0.00 0.00 173.24 173.87 3kgx s PHE 244 N 0.21 1.83 0.61 3.44 0.40 -0.17 -2.00 117.98 122.31 3kgx s PHE 244 Ca -0.01 -0.71 -0.09 0.00 -0.60 0.00 0.00 56.93 55.52 3kgx s PHE 244 Cb -0.02 -1.28 0.14 0.00 0.51 0.00 0.00 43.02 42.36 3kgx s PHE 244 CO -0.01 -0.33 0.84 0.27 0.70 0.00 0.00 175.22 176.69 3kgx n ASN 245 N 3.72 0.25 -0.27 1.36 6.94 -0.40 -4.28 115.26 122.59 3kgx n ASN 245 Ca -0.22 -1.42 -0.06 0.00 -0.02 0.00 0.00 54.58 52.86 3kgx n ASN 245 Cb 0.52 -0.62 0.06 0.00 -2.36 0.00 0.00 39.78 37.38 3kgx n ASN 245 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3kgx h ASP 246 N -0.99 1.08 -0.74 0.53 3.32 -1.99 -0.83 116.42 116.80 3kgx h ASP 246 Ca -0.27 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 3kgx h ASP 246 Cb 0.79 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 3kgx h ASP 246 CO 0.21 0.99 0.45 0.11 -1.72 0.00 0.00 179.24 179.27 3kgx h LYS 247 N 1.11 1.00 -0.40 3.56 6.56 -1.94 -1.50 116.57 124.96 3kgx h LYS 247 Ca 0.25 -0.09 -0.06 0.00 -1.06 0.00 0.00 60.65 59.69 3kgx h LYS 247 Cb 0.28 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 31.71 3kgx h LYS 247 CO -0.01 0.71 0.02 0.00 -2.06 0.00 0.00 179.45 178.10 3kgx h ALA 248 N 1.24 0.53 -0.65 3.86 0.00 -1.79 -2.93 119.26 119.52 3kgx h ALA 248 Ca 0.26 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 55.02 3kgx h ALA 248 Cb -0.04 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.53 3kgx h ALA 248 CO -0.05 0.29 0.28 0.87 0.00 0.00 0.00 179.25 180.64 3kgx h LYS 249 N 0.52 0.47 -0.95 0.00 1.57 -0.93 -2.29 116.57 114.97 3kgx h LYS 249 Ca 0.11 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.92 3kgx h LYS 249 Cb 0.44 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.58 3kgx h LYS 249 CO 0.02 0.31 0.61 -0.92 -0.57 0.00 0.00 179.45 178.90 3kgx h TYR 250 N 0.49 1.13 -0.69 -1.35 3.20 -1.10 -0.55 116.97 118.10 3kgx h TYR 250 Ca 0.32 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.19 3kgx h TYR 250 Cb 0.37 -0.37 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 3kgx h TYR 250 CO -0.14 0.60 0.31 -0.22 -1.64 0.00 0.00 178.16 177.07 3kgx h LYS 251 N 1.13 1.00 -0.25 1.82 1.63 -1.28 -2.23 116.57 118.39 3kgx h LYS 251 Ca 0.40 -0.16 -0.08 0.00 -0.85 0.00 0.00 60.65 59.96 3kgx h LYS 251 Cb 0.12 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 3kgx h LYS 251 CO -0.16 0.81 -0.15 0.28 -3.45 0.00 0.00 179.45 176.78 3kgx h VAL 252 N 0.96 1.31 0.00 2.00 2.07 -0.80 -3.19 116.25 118.59 3kgx h VAL 252 Ca 0.23 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.49 3kgx h VAL 252 Cb 0.15 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3kgx h VAL 252 CO -0.03 0.39 0.00 1.88 0.02 0.00 0.00 177.57 179.84 3kgx h TYR 253 N 0.26 0.00 -0.01 1.57 -1.99 -1.10 -3.12 116.97 112.58 3kgx h TYR 253 Ca 0.05 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.78 3kgx h TYR 253 Cb 0.67 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.40 3kgx h TYR 253 CO 0.07 0.00 -0.02 -1.13 -0.00 0.00 0.00 178.16 177.07 3kgx n SER 254 N -2.80 0.67 -4.75 3.88 3.41 -0.84 -4.94 113.62 108.26 3kgx n SER 254 Ca 0.02 -1.11 -0.42 0.00 -0.26 0.00 0.00 58.87 57.11 3kgx n SER 254 Cb 0.35 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.28 3kgx n SER 254 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3kgx n ARG 255 N -0.54 2.51 0.20 4.33 1.74 -1.18 -4.91 116.66 118.81 3kgx n ARG 255 Ca 0.20 0.88 0.12 0.00 -0.77 0.00 0.00 57.85 58.28 3kgx n ARG 255 Cb 0.24 -2.58 0.14 0.00 -1.02 0.00 0.00 32.46 29.23 3kgx n ARG 255 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3kgx h LYS 256 N 3.26 0.00 -4.90 5.56 1.57 -1.93 -3.46 116.57 116.66 3kgx h LYS 256 Ca -0.49 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 57.98 3kgx h LYS 256 Cb 1.25 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.37 3kgx h LYS 256 CO 0.67 0.01 -0.74 0.95 -0.57 0.00 0.00 179.45 179.78 3kgx s THR 257 N -3.23 0.86 0.49 -0.16 -4.23 -1.26 -5.15 115.64 102.96 3kgx s THR 257 Ca 0.06 -1.50 -0.23 0.00 -1.18 0.00 0.00 61.69 58.84 3kgx s THR 257 Cb 0.06 -1.18 -0.06 0.00 1.34 0.00 0.00 72.50 72.65 3kgx s THR 257 CO 0.69 -0.50 1.31 -0.54 -0.54 0.00 0.00 174.62 175.04 3kgx s LYS 258 N -2.47 3.47 0.81 3.99 1.02 -1.26 -5.00 119.74 120.30 3kgx s LYS 258 Ca 0.02 2.14 -0.10 0.00 0.02 0.00 0.00 55.97 58.04 3kgx s LYS 258 Cb -0.05 -2.41 0.08 0.00 -0.52 0.00 0.00 37.83 34.93 3kgx s LYS 258 CO 0.00 -0.90 1.10 -1.25 -0.92 0.00 0.00 175.35 173.39 3kgx s PRO 259 N -2.71 1.93 0.41 -1.68 0.04 -1.26 -4.94 135.00 126.79 3kgx s PRO 259 Ca 0.66 1.23 0.17 0.00 0.04 0.00 0.00 61.00 63.11 3kgx s PRO 259 Cb -0.38 -1.85 0.90 0.00 0.04 0.00 0.00 34.50 33.21 3kgx s PRO 259 CO 0.46 -1.89 1.87 -0.39 0.04 0.00 0.00 177.00 177.09 3kgx h VAL 260 N -1.32 1.02 -3.41 -0.36 -1.51 -1.95 -3.41 116.25 105.32 3kgx h VAL 260 Ca -0.44 -1.11 -0.62 0.00 -1.23 0.00 0.00 66.70 63.30 3kgx h VAL 260 Cb 1.24 1.64 -0.16 0.00 -2.13 0.00 0.00 31.29 31.88 3kgx h VAL 260 CO 0.49 0.30 -0.55 -0.55 -1.23 0.00 0.00 177.57 176.03 3kgx s SER 261 N -6.66 5.74 -0.07 4.19 0.15 -1.26 -4.99 113.70 110.80 3kgx s SER 261 Ca -0.02 0.07 -0.27 0.00 0.70 0.00 0.00 55.95 56.43 3kgx s SER 261 Cb 0.13 -2.00 -0.23 0.00 -1.71 0.00 0.00 66.02 62.21 3kgx s SER 261 CO 0.68 0.12 1.03 0.15 1.20 0.00 0.00 173.24 176.42 3kgx h PHE 262 N 7.09 0.06 0.00 3.44 3.04 -1.97 -3.07 116.94 125.53 3kgx h PHE 262 Ca -0.38 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.54 3kgx h PHE 262 Cb 1.17 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.67 3kgx h PHE 262 CO 0.60 0.78 -0.03 1.88 -2.02 0.00 0.00 178.31 179.52 3kgx h TYR 263 N -0.68 0.00 -0.29 0.41 0.05 -1.98 -2.36 116.97 112.12 3kgx h TYR 263 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3kgx h TYR 263 Cb 0.79 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.53 3kgx h TYR 263 CO 0.18 0.03 0.00 0.25 -1.05 0.00 0.00 178.16 177.57 3kgx n THR 264 N -4.07 1.88 -2.15 -2.88 -2.24 -1.26 -4.92 114.28 98.64 3kgx n THR 264 Ca -0.03 -1.59 -0.43 0.00 -2.27 0.00 0.00 64.05 59.74 3kgx n THR 264 Cb 0.12 -0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.31 3kgx n THR 264 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kgx s ASP 265 N -1.61 6.46 0.37 3.42 -1.08 -0.89 -4.87 116.67 118.47 3kgx s ASP 265 Ca 0.36 1.64 0.12 0.00 -0.52 0.00 0.00 52.55 54.16 3kgx s ASP 265 Cb 0.27 -2.53 0.73 0.00 -1.46 0.00 0.00 42.92 39.93 3kgx s ASP 265 CO 0.11 -1.19 1.84 -0.29 0.52 0.00 0.00 175.17 176.16 3kgx h ILE 266 N 6.05 1.25 0.00 4.11 6.09 -1.90 -0.70 117.51 132.41 3kgx h ILE 266 Ca -0.33 -1.21 0.00 0.00 -1.37 0.00 0.00 64.86 61.95 3kgx h ILE 266 Cb 1.15 1.64 0.00 0.00 0.47 0.00 0.00 36.82 40.07 3kgx h ILE 266 CO 1.00 0.35 0.00 0.71 -3.07 0.00 0.00 178.15 177.14 3kgx h THR 267 N 0.02 0.00 0.01 2.19 1.35 -1.97 0.17 112.91 114.68 3kgx h THR 267 Ca -0.00 -0.35 -0.39 0.00 -0.55 0.00 0.00 66.41 65.12 3kgx h THR 267 Cb 0.62 1.28 -0.06 0.00 -1.73 0.00 0.00 68.15 68.26 3kgx h THR 267 CO 0.05 0.00 -2.20 -1.22 -0.25 0.00 0.00 175.52 171.90 3kgx n TYR 268 N -2.90 0.33 0.02 4.73 4.02 -0.97 -4.49 117.16 117.90 3kgx n TYR 268 Ca 0.00 0.12 0.06 0.00 -0.01 0.00 0.00 57.90 58.08 3kgx n TYR 268 Cb 0.24 -1.04 0.47 0.00 -0.02 0.00 0.00 39.34 39.00 3kgx n TYR 268 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3kgx h LEU 269 N -0.80 0.38 -0.89 7.72 3.38 -0.91 -2.59 115.31 121.60 3kgx h LEU 269 Ca -0.59 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.38 3kgx h LEU 269 Cb 1.61 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.22 3kgx h LEU 269 CO -0.30 0.27 0.55 0.00 0.09 0.00 0.00 178.44 179.05 3kgx h ALA 270 N 1.77 1.13 -0.19 1.53 0.00 -0.91 -1.92 119.26 120.67 3kgx h ALA 270 Ca 0.15 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3kgx h ALA 270 Cb 0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3kgx h ALA 270 CO -0.04 0.58 -0.05 0.87 0.00 0.00 0.00 179.25 180.61 3kgx h LYS 271 N 1.22 0.38 -0.29 0.00 1.57 -1.70 -0.11 116.57 117.64 3kgx h LYS 271 Ca 0.32 -0.15 0.06 0.00 -1.87 0.00 0.00 60.65 59.02 3kgx h LYS 271 Cb -0.07 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.15 3kgx h LYS 271 CO -0.06 0.64 -0.14 1.25 -0.57 0.00 0.00 179.45 180.57 3kgx h LEU 272 N 0.09 -0.48 0.00 2.94 5.85 -1.38 -2.61 115.31 119.72 3kgx h LEU 272 Ca 0.05 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3kgx h LEU 272 Cb 0.51 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3kgx h LEU 272 CO 0.02 -0.18 0.00 0.79 -0.34 0.00 0.00 178.44 178.73 3kgx n TRP 273 N -5.32 0.00 -2.75 1.25 7.02 -0.73 -4.92 117.44 112.00 3kgx n TRP 273 Ca 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.35 3kgx n TRP 273 Cb 0.23 -0.01 0.02 0.00 -2.42 0.00 0.00 31.31 29.13 3kgx n TRP 273 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3kgx n GLY 274 N 0.71 0.02 0.28 6.99 0.00 -0.98 -4.96 105.19 107.24 3kgx n GLY 274 Ca 0.20 -0.25 0.14 0.00 0.00 0.00 0.00 46.02 46.10 3kgx n GLY 274 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgx n GLU 276 N -0.31 0.00 0.00 0.00 0.28 -1.26 -4.42 120.64 114.93 3kgx n GLU 276 Ca 0.20 -0.47 0.00 0.00 -0.16 0.00 0.00 57.16 56.73 3kgx n GLU 276 Cb 0.24 -0.48 0.00 0.00 1.43 0.00 0.00 31.44 32.63 3kgx n GLU 276 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kgx n GLY 277 N 0.00 2.98 3.19 -1.84 0.00 -1.26 -4.96 105.19 103.30 3kgx n GLY 277 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3kgx n GLY 277 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kgx s GLU 278 N -0.01 2.54 0.06 1.61 2.02 -1.26 -5.08 118.70 118.58 3kgx s GLU 278 Ca 0.00 -1.99 -0.15 0.00 0.02 0.00 0.00 54.97 52.84 3kgx s GLU 278 Cb 0.00 -3.89 -0.06 0.00 0.10 0.00 0.00 34.13 30.27 3kgx s GLU 278 CO 0.00 -1.18 0.49 0.99 0.02 0.00 0.00 175.26 175.57 3kgx s THR 279 N 0.94 4.91 -0.23 3.63 2.01 -1.26 -4.70 115.64 120.94 3kgx s THR 279 Ca 0.09 0.91 -0.03 0.00 0.31 0.00 0.00 61.69 62.97 3kgx s THR 279 Cb -0.23 -3.76 0.10 0.00 0.01 0.00 0.00 72.50 68.62 3kgx s THR 279 CO -0.03 0.46 0.24 -0.13 -0.69 0.00 0.00 174.62 174.47 3kgx s ARG 280 N -1.38 0.22 -1.07 4.92 0.52 -1.25 -5.04 118.95 115.87 3kgx s ARG 280 Ca 0.30 0.09 -0.19 0.00 -0.52 0.00 0.00 55.73 55.41 3kgx s ARG 280 Cb -0.17 -1.07 -0.07 0.00 0.52 0.00 0.00 34.95 34.16 3kgx s ARG 280 CO 0.17 -0.76 2.05 0.28 0.02 0.00 0.00 175.30 177.06 3kgx n VAL 281 N 5.31 2.52 -2.39 3.52 0.31 -1.26 -3.77 118.33 122.58 3kgx n VAL 281 Ca -0.05 -2.22 -0.41 0.00 -0.01 0.00 0.00 64.34 61.65 3kgx n VAL 281 Cb 0.48 -2.44 -0.03 0.00 -0.91 0.00 0.00 33.84 30.94 3kgx n VAL 281 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3kgx s ILE 282 N 4.34 3.64 0.01 2.52 1.01 -1.26 -4.96 121.20 126.50 3kgx s ILE 282 Ca 0.53 1.35 -0.02 0.00 0.00 0.00 0.00 60.65 62.52 3kgx s ILE 282 Cb 0.14 -3.87 -0.00 0.00 0.01 0.00 0.00 42.46 38.74 3kgx s ILE 282 CO 0.03 0.20 0.99 0.00 0.00 0.00 0.00 174.94 176.17 3kgx n HIS 283 N 2.66 -0.03 0.00 3.97 -0.00 -1.26 -4.78 115.22 115.78 3kgx n HIS 283 Ca 0.05 0.08 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 3kgx n HIS 283 Cb 0.45 -0.49 0.00 0.00 -0.00 0.00 0.00 29.99 29.95 3kgx n HIS 283 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3kgx n HIS 284 N -3.10 0.00 -3.62 -1.40 8.25 -1.26 -4.90 115.22 109.19 3kgx n HIS 284 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 3kgx n HIS 284 Cb 0.02 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.11 3kgx n HIS 284 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3kgx s THR 285 N 0.00 0.00 -0.35 1.59 -1.32 -1.26 -5.11 115.64 109.19 3kgx s THR 285 Ca 0.00 -0.01 0.06 0.00 -1.21 0.00 0.00 61.69 60.53 3kgx s THR 285 Cb 0.00 -1.16 0.18 0.00 -1.51 0.00 0.00 72.50 70.01 3kgx s THR 285 CO 0.00 0.00 0.58 -0.89 -2.21 0.00 0.00 174.62 172.10 3kgx s THR 286 N -2.15 -0.93 -1.05 5.08 2.01 -1.26 -5.09 115.64 112.25 3kgx s THR 286 Ca 0.12 -0.09 -0.22 0.00 0.31 0.00 0.00 61.69 61.80 3kgx s THR 286 Cb 0.00 -0.52 0.03 0.00 0.01 0.00 0.00 72.50 72.02 3kgx s THR 286 CO -0.03 -0.06 1.61 -2.16 -0.69 0.00 0.00 174.62 173.28 3kgx s PRO 287 N 2.27 3.41 0.13 4.92 0.04 -1.26 -4.91 135.00 139.60 3kgx s PRO 287 Ca 0.13 -1.11 -0.29 0.00 0.04 0.00 0.00 61.00 59.77 3kgx s PRO 287 Cb -0.08 -5.33 -0.07 0.00 0.04 0.00 0.00 34.50 29.07 3kgx s PRO 287 CO -0.16 -2.51 1.59 0.28 0.04 0.00 0.00 177.00 176.23 3kgx h VAL 288 N 6.66 0.16 -0.87 -0.36 2.07 -1.98 -1.19 116.25 120.75 3kgx h VAL 288 Ca 0.22 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.78 3kgx h VAL 288 Cb 0.98 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 3kgx h VAL 288 CO 1.38 0.00 0.57 0.74 0.02 0.00 0.00 177.57 180.28 3kgx h THR 289 N -0.53 1.14 -0.40 2.57 2.02 -1.94 -1.44 112.91 114.33 3kgx h THR 289 Ca 0.06 -0.37 0.08 0.00 0.77 0.00 0.00 66.41 66.95 3kgx h THR 289 Cb 0.63 -0.03 -0.08 0.00 -1.74 0.00 0.00 68.15 66.94 3kgx h THR 289 CO -0.35 0.20 -0.14 0.77 0.37 0.00 0.00 175.52 176.37 3kgx h SER 290 N 1.07 -0.48 -0.49 4.18 4.64 -1.82 -2.05 113.55 118.60 3kgx h SER 290 Ca 0.35 0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 61.74 3kgx h SER 290 Cb 0.04 0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3kgx h SER 290 CO -0.11 -0.17 0.08 -0.07 -0.87 0.00 0.00 176.83 175.69 3kgx h LEU 291 N -0.05 0.83 0.05 5.97 3.38 -0.29 -1.23 115.31 123.97 3kgx h LEU 291 Ca 0.19 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kgx h LEU 291 Cb 0.35 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3kgx h LEU 291 CO -0.44 0.85 -0.04 1.88 0.09 0.00 0.00 178.44 180.78 3kgx h TYR 292 N 0.83 -0.10 -0.37 1.13 0.05 -0.92 0.94 116.97 118.53 3kgx h TYR 292 Ca 0.17 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.93 3kgx h TYR 292 Cb 0.38 0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 3kgx h TYR 292 CO 0.02 -0.06 0.16 0.00 -1.05 0.00 0.00 178.16 177.23 3kgx h LEU 294 N 0.45 0.78 -0.54 0.00 5.85 -1.03 -1.20 115.31 119.62 3kgx h LEU 294 Ca 0.12 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.87 3kgx h LEU 294 Cb 0.16 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 3kgx h LEU 294 CO -0.01 0.56 0.28 -0.09 -0.34 0.00 0.00 178.44 178.83 3kgx h ARG 295 N 0.92 0.51 -0.47 1.25 1.12 -0.57 0.10 114.38 117.24 3kgx h ARG 295 Ca 0.25 -0.03 -0.08 0.00 -1.11 0.00 0.00 59.98 59.02 3kgx h ARG 295 Cb -0.09 -0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 29.73 3kgx h ARG 295 CO -0.06 0.34 -0.00 0.93 -3.11 0.00 0.00 179.97 178.07 3kgx h GLU 296 N 0.53 0.83 -0.23 0.20 4.39 -1.11 0.13 114.58 119.32 3kgx h GLU 296 Ca 0.24 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.68 3kgx h GLU 296 Cb 0.15 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3kgx h GLU 296 CO -0.17 0.88 0.13 0.77 -1.16 0.00 0.00 179.01 179.47 3kgx h SER 297 N 0.68 0.22 -0.71 1.42 0.02 -0.90 0.17 113.55 114.45 3kgx h SER 297 Ca 0.13 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 3kgx h SER 297 Cb 0.51 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 3kgx h SER 297 CO 0.02 0.16 0.20 -0.07 -1.14 0.00 0.00 176.83 176.01 3kgx h LEU 298 N 0.28 1.06 -0.65 5.07 3.38 -0.81 -1.93 115.31 121.71 3kgx h LEU 298 Ca 0.09 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.89 3kgx h LEU 298 Cb -0.01 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 3kgx h LEU 298 CO -0.04 1.00 0.38 0.00 0.09 0.00 0.00 178.44 179.87 3kgx h ALA 299 N 1.13 0.86 -0.77 1.53 0.00 -0.70 -1.23 119.26 120.08 3kgx h ALA 299 Ca 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3kgx h ALA 299 Cb 0.34 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3kgx h ALA 299 CO -0.00 0.09 0.35 -0.07 0.00 0.00 0.00 179.25 179.62 3kgx h LEU 300 N 0.72 1.02 -0.35 0.00 3.38 -0.46 -0.77 115.31 118.84 3kgx h LEU 300 Ca 0.28 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 3kgx h LEU 300 Cb 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3kgx h LEU 300 CO -0.15 0.88 -0.17 0.40 0.09 0.00 0.00 178.44 179.48 3kgx h ILE 301 N 1.09 1.29 -0.75 1.22 2.04 -1.22 -1.43 117.51 119.74 3kgx h ILE 301 Ca 0.26 -1.30 -0.05 0.00 1.00 0.00 0.00 64.86 64.77 3kgx h ILE 301 Cb 0.14 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 3kgx h ILE 301 CO -0.03 0.43 0.27 0.00 0.00 0.00 0.00 178.15 178.81 3kgx h ALA 302 N 0.79 0.98 -0.09 1.87 0.00 -1.11 0.47 119.26 122.16 3kgx h ALA 302 Ca 0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kgx h ALA 302 Cb 0.72 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3kgx h ALA 302 CO 0.05 0.63 0.05 1.49 0.00 0.00 0.00 179.25 181.48 3kgx h GLU 303 N 1.10 0.13 -0.25 0.00 4.81 -1.09 -3.19 114.58 116.08 3kgx h GLU 303 Ca 0.25 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.27 3kgx h GLU 303 Cb 0.26 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.62 3kgx h GLU 303 CO -0.01 0.16 -0.59 1.96 -0.73 0.00 0.00 179.01 179.80 3kgx h GLN 304 N 0.06 0.82 0.00 1.92 4.20 -1.15 -3.50 115.11 117.46 3kgx h GLN 304 Ca 0.03 -0.54 0.00 0.00 0.06 0.00 0.00 58.65 58.20 3kgx h GLN 304 Cb 0.07 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3kgx h GLN 304 CO -0.01 1.17 0.00 0.41 -0.67 0.00 0.00 178.83 179.74 3kgx n GLY 305 N 0.41 0.04 0.30 3.46 0.00 0.16 -4.53 105.19 105.03 3kgx n GLY 305 Ca -0.05 -1.36 0.06 0.00 0.00 0.00 0.00 46.02 44.67 3kgx n GLY 305 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kgx h LEU 306 N 0.00 0.52 -0.41 0.99 3.38 -1.89 -2.39 115.31 115.51 3kgx h LEU 306 Ca 0.00 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3kgx h LEU 306 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3kgx h LEU 306 CO 0.00 0.24 0.15 -0.33 0.09 0.00 0.00 178.44 178.59 3kgx h GLU 307 N 0.63 0.31 -0.55 1.13 3.07 -1.95 -0.66 114.58 116.56 3kgx h GLU 307 Ca 0.44 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 59.21 3kgx h GLU 307 Cb 0.58 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.40 3kgx h GLU 307 CO -0.34 0.20 0.05 -0.91 -1.40 0.00 0.00 179.01 176.61 3kgx h ASN 308 N 0.32 0.87 -0.18 1.42 2.35 -1.70 -1.70 115.58 116.96 3kgx h ASN 308 Ca 0.19 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3kgx h ASN 308 Cb 0.17 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3kgx h ASN 308 CO -0.19 0.91 0.08 0.00 -1.65 0.00 0.00 177.43 176.58 3kgx h TRP 310 N 0.15 1.00 -0.18 0.00 6.55 -1.01 -2.56 115.95 119.91 3kgx h TRP 310 Ca 0.06 0.02 0.01 0.00 0.95 0.00 0.00 58.89 59.94 3kgx h TRP 310 Cb 0.14 -0.34 -0.01 0.00 -0.86 0.00 0.00 29.16 28.08 3kgx h TRP 310 CO -0.02 0.62 0.08 -0.09 -1.05 0.00 0.00 178.44 177.98 3kgx h ARG 311 N 1.08 0.17 -0.80 0.49 2.43 -1.06 -1.93 114.38 114.77 3kgx h ARG 311 Ca 0.30 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.56 3kgx h ARG 311 Cb -0.11 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.33 3kgx h ARG 311 CO -0.07 0.12 0.43 0.00 -1.51 0.00 0.00 179.97 178.93 3kgx h ARG 312 N 0.18 0.68 -0.32 0.20 3.08 -0.87 -0.67 114.38 116.65 3kgx h ARG 312 Ca 0.07 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3kgx h ARG 312 Cb 0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3kgx h ARG 312 CO -0.05 0.45 0.03 0.45 -1.07 0.00 0.00 179.97 179.78 3kgx h HIS 313 N 0.70 0.59 -0.36 3.04 3.86 -1.30 -1.24 115.15 120.43 3kgx h HIS 313 Ca 0.40 -0.09 0.04 0.00 -1.16 0.00 0.00 60.37 59.55 3kgx h HIS 313 Cb 0.43 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.70 3kgx h HIS 313 CO -0.08 0.64 0.15 0.00 0.86 0.00 0.00 177.93 179.49 3kgx h ARG 314 N 0.37 0.30 -0.08 2.45 3.08 -0.96 -1.59 114.38 117.95 3kgx h ARG 314 Ca 0.10 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3kgx h ARG 314 Cb 0.38 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 3kgx h ARG 314 CO 0.01 0.20 0.02 0.93 -1.07 0.00 0.00 179.97 180.06 3kgx h GLU 315 N 0.31 0.13 -0.44 0.04 5.08 -1.07 -0.64 114.58 117.99 3kgx h GLU 315 Ca 0.16 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3kgx h GLU 315 Cb 0.11 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3kgx h GLU 315 CO -0.15 0.32 0.27 0.00 -1.00 0.00 0.00 179.01 178.45 3kgx h ALA 316 N 0.81 0.56 -0.52 3.43 0.00 -1.21 -1.67 119.26 120.66 3kgx h ALA 316 Ca 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3kgx h ALA 316 Cb 0.24 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3kgx h ALA 316 CO 0.00 0.04 0.26 1.15 0.00 0.00 0.00 179.25 180.70 3kgx h THR 317 N 0.58 1.19 -0.35 0.00 2.02 -1.26 -0.64 112.91 114.46 3kgx h THR 317 Ca 0.16 -0.54 0.05 0.00 0.77 0.00 0.00 66.41 66.85 3kgx h THR 317 Cb -0.01 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 66.94 3kgx h THR 317 CO -0.03 0.22 0.05 0.00 0.37 0.00 0.00 175.52 176.13 3kgx h ALA 318 N 1.09 0.36 -0.42 6.16 0.00 -0.88 0.15 119.26 125.73 3kgx h ALA 318 Ca 0.18 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3kgx h ALA 318 Cb 0.11 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3kgx h ALA 318 CO -0.02 -0.35 0.25 1.25 0.00 0.00 0.00 179.25 180.37 3kgx h HIS 319 N 0.16 0.56 -0.39 0.00 6.17 -1.06 -1.57 115.15 119.02 3kgx h HIS 319 Ca 0.17 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.24 3kgx h HIS 319 Cb 0.20 -0.18 -0.02 0.00 2.52 0.00 0.00 27.41 29.93 3kgx h HIS 319 CO -0.20 0.40 0.22 1.25 0.71 0.00 0.00 177.93 180.31 3kgx h LEU 320 N 0.56 0.48 -1.07 0.26 5.85 -0.65 -2.65 115.31 118.09 3kgx h LEU 320 Ca 0.15 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3kgx h LEU 320 Cb 0.01 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3kgx h LEU 320 CO -0.03 0.43 0.25 0.45 -0.34 0.00 0.00 178.44 179.20 3kgx h HIS 321 N 0.50 0.92 -0.42 1.25 3.86 -0.53 -0.85 115.15 119.89 3kgx h HIS 321 Ca 0.14 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 3kgx h HIS 321 Cb 0.05 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 3kgx h HIS 321 CO -0.03 0.71 0.19 -0.22 0.86 0.00 0.00 177.93 179.44 3kgx h LYS 322 N 0.90 0.61 -0.31 2.45 3.64 -1.17 -1.21 116.57 121.48 3kgx h LYS 322 Ca 0.21 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 3kgx h LYS 322 Cb 0.17 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3kgx h LYS 322 CO -0.02 0.54 0.16 0.45 -2.27 0.00 0.00 179.45 178.32 3kgx h HIS 323 N 0.53 0.31 -0.19 1.91 3.86 -1.08 -1.78 115.15 118.70 3kgx h HIS 323 Ca 0.14 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.37 3kgx h HIS 323 Cb 0.14 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 3kgx h HIS 323 CO -0.01 0.18 0.09 -0.07 0.86 0.00 0.00 177.93 178.98 3kgx h LEU 324 N 0.34 0.13 -0.27 2.43 3.38 -0.95 -2.00 115.31 118.38 3kgx h LEU 324 Ca 0.12 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.16 3kgx h LEU 324 Cb 0.02 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 3kgx h LEU 324 CO -0.07 0.11 -0.14 1.56 0.09 0.00 0.00 178.44 179.99 3kgx h GLN 325 N 0.20 -0.10 -0.11 1.13 4.20 -1.17 -2.23 115.11 117.04 3kgx h GLN 325 Ca 0.08 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 3kgx h GLN 325 Cb 0.02 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3kgx h GLN 325 CO -0.06 -0.07 -0.04 0.93 -0.67 0.00 0.00 178.83 178.93 3kgx h GLU 326 N -0.10 0.16 -0.36 1.46 5.08 -1.03 -2.64 114.58 117.15 3kgx h GLU 326 Ca 0.14 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3kgx h GLU 326 Cb 0.32 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3kgx h GLU 326 CO -0.34 0.21 0.00 0.00 -1.00 0.00 0.00 179.01 177.89 3kgx n MET 327 N -4.40 1.94 -0.97 2.33 0.00 -0.78 -4.95 117.12 110.30 3kgx n MET 327 Ca -0.01 -1.45 0.00 0.00 0.00 0.00 0.00 57.70 56.24 3kgx n MET 327 Cb 0.17 -1.35 0.00 0.00 0.00 0.00 0.00 33.22 32.04 3kgx n MET 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3kgx n GLY 328 N 1.18 0.51 3.77 3.17 0.00 -1.00 -5.05 105.19 107.78 3kgx n GLY 328 Ca 0.15 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3kgx n GLY 328 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kgx s LEU 329 N 0.00 4.53 -0.09 0.99 1.43 -0.86 -5.03 118.68 119.65 3kgx s LEU 329 Ca 0.00 1.76 -0.03 0.00 -1.03 0.00 0.00 54.13 54.83 3kgx s LEU 329 Cb 0.00 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 3kgx s LEU 329 CO 0.00 0.12 0.06 -0.54 0.23 0.00 0.00 176.35 176.21 3kgx s LYS 330 N -1.44 3.15 0.11 1.70 -0.14 -1.26 -4.35 119.74 117.50 3kgx s LYS 330 Ca 0.41 -0.32 -0.30 0.00 -1.36 0.00 0.00 55.97 54.40 3kgx s LYS 330 Cb -0.22 -2.94 -0.06 0.00 -1.68 0.00 0.00 37.83 32.93 3kgx s LYS 330 CO 0.27 0.72 1.07 -0.06 -0.76 0.00 0.00 175.35 176.59 3kgx s PHE 331 N -0.97 3.63 0.33 3.18 0.08 -1.26 -0.46 117.98 122.51 3kgx s PHE 331 Ca 0.15 1.60 0.07 0.00 0.12 0.00 0.00 56.93 58.87 3kgx s PHE 331 Cb -0.12 -3.23 0.60 0.00 -0.57 0.00 0.00 43.02 39.70 3kgx s PHE 331 CO 0.04 -0.45 1.82 0.35 -0.10 0.00 0.00 175.22 176.87 3kgx h PHE 332 N 5.83 0.36 -3.58 0.36 3.57 -1.73 -3.40 116.94 118.34 3kgx h PHE 332 Ca -0.43 -0.06 -0.65 0.00 3.53 0.00 0.00 57.97 60.36 3kgx h PHE 332 Cb 1.21 -0.09 -0.15 0.00 2.79 0.00 0.00 35.95 39.71 3kgx h PHE 332 CO 0.65 0.52 0.08 0.08 -2.23 0.00 0.00 178.31 177.41 3kgx s VAL 333 N -4.57 4.88 0.18 1.41 1.01 -1.26 -4.87 120.40 117.17 3kgx s VAL 333 Ca -0.06 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.96 3kgx s VAL 333 Cb 0.15 -4.15 0.09 0.00 0.00 0.00 0.00 36.38 32.46 3kgx s VAL 333 CO 0.76 -0.51 1.79 0.11 0.00 0.00 0.00 175.10 177.25 3kgx h LYS 334 N 8.77 0.86 -5.72 2.72 6.56 -1.82 -3.42 116.57 124.52 3kgx h LYS 334 Ca -0.26 -0.11 -0.60 0.00 -1.06 0.00 0.00 60.65 58.62 3kgx h LYS 334 Cb 1.10 -0.17 -0.10 0.00 -0.57 0.00 0.00 32.23 32.50 3kgx h LYS 334 CO 0.87 0.67 0.39 0.34 -2.06 0.00 0.00 179.45 179.65 3kgx s ASP 335 N -5.95 6.73 0.49 0.86 -1.08 -1.26 -4.97 116.67 111.50 3kgx s ASP 335 Ca -0.13 0.87 0.15 0.00 -0.52 0.00 0.00 52.55 52.92 3kgx s ASP 335 Cb 0.13 -2.41 1.18 0.00 -1.46 0.00 0.00 42.92 40.36 3kgx s ASP 335 CO 0.78 -0.51 2.10 -0.65 0.52 0.00 0.00 175.17 177.41 3kgx h PRO 336 N 7.84 0.15 0.00 4.34 0.11 -1.99 -2.53 132.00 139.91 3kgx h PRO 336 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3kgx h PRO 336 Cb 1.10 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kgx h PRO 336 CO 0.85 0.10 0.00 0.93 -0.21 0.00 0.00 178.00 179.67 3kgx h GLU 337 N 0.15 0.00 -0.63 1.05 5.08 -1.96 -2.82 114.58 115.44 3kgx h GLU 337 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3kgx h GLU 337 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3kgx h GLU 337 CO -0.01 0.00 0.00 0.44 -1.00 0.00 0.00 179.01 178.44 3kgx n ILE 338 N -3.05 1.39 -2.56 3.13 -5.35 -0.96 -4.91 119.36 107.06 3kgx n ILE 338 Ca 0.00 -1.12 -0.43 0.00 -0.27 0.00 0.00 62.75 60.94 3kgx n ILE 338 Cb 0.27 0.32 -0.02 0.00 -1.74 0.00 0.00 39.64 38.47 3kgx n ILE 338 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3kgx s ARG 339 N -1.42 4.20 -0.16 6.28 0.52 -1.07 -0.96 118.95 126.34 3kgx s ARG 339 Ca 0.46 1.41 -0.29 0.00 -0.52 0.00 0.00 55.73 56.80 3kgx s ARG 339 Cb 0.27 -3.72 -0.04 0.00 0.52 0.00 0.00 34.95 31.98 3kgx s ARG 339 CO 0.27 -0.73 1.80 -1.17 0.02 0.00 0.00 175.30 175.48 3kgx s LEU 340 N 3.46 3.94 0.31 2.53 2.96 -0.21 -4.64 118.68 127.04 3kgx s LEU 340 Ca 0.49 1.91 0.06 0.00 -0.22 0.00 0.00 54.13 56.37 3kgx s LEU 340 Cb -0.17 -3.53 0.72 0.00 0.50 0.00 0.00 46.19 43.72 3kgx s LEU 340 CO 0.12 -1.33 1.81 -0.65 -1.32 0.00 0.00 176.35 174.98 3kgx h PRO 341 N 11.45 0.77 -0.00 0.98 0.11 -1.92 -3.08 132.00 140.32 3kgx h PRO 341 Ca -0.38 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.50 3kgx h PRO 341 Cb 1.19 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3kgx h PRO 341 CO 0.98 0.51 -0.83 1.79 -0.21 0.00 0.00 178.00 180.24 3kgx h THR 342 N 0.80 1.51 -3.08 -1.15 1.35 -1.86 -3.43 112.91 107.05 3kgx h THR 342 Ca 0.53 -2.59 -0.49 0.00 -0.55 0.00 0.00 66.41 63.31 3kgx h THR 342 Cb 0.77 2.42 -0.41 0.00 -1.73 0.00 0.00 68.15 69.21 3kgx h THR 342 CO -0.30 0.75 -0.76 -0.63 -0.25 0.00 0.00 175.52 174.33 3kgx s ILE 343 N -3.26 0.12 -0.13 6.82 1.01 -1.16 -0.92 121.20 123.69 3kgx s ILE 343 Ca -0.02 -0.39 -0.15 0.00 0.00 0.00 0.00 60.65 60.08 3kgx s ILE 343 Cb 0.11 -0.79 -0.05 0.00 0.01 0.00 0.00 42.46 41.74 3kgx s ILE 343 CO 0.81 -0.33 0.37 -0.89 0.00 0.00 0.00 174.94 174.91 3kgx s THR 344 N 2.04 5.23 -0.21 2.92 2.01 -0.31 -4.37 115.64 122.95 3kgx s THR 344 Ca 0.02 0.73 -0.09 0.00 0.31 0.00 0.00 61.69 62.66 3kgx s THR 344 Cb -0.16 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 3kgx s THR 344 CO -0.13 0.39 0.12 0.42 -0.69 0.00 0.00 174.62 174.74 3kgx s THR 345 N 0.33 5.19 -0.12 -0.82 -4.23 -1.26 -1.79 115.64 112.93 3kgx s THR 345 Ca 0.21 0.12 0.02 0.00 -1.18 0.00 0.00 61.69 60.85 3kgx s THR 345 Cb -0.14 -3.39 -0.01 0.00 1.34 0.00 0.00 72.50 70.31 3kgx s THR 345 CO 0.07 0.40 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.69 3kgx s VAL 346 N 0.70 2.56 0.25 2.29 1.01 0.03 -2.08 120.40 125.16 3kgx s VAL 346 Ca 0.07 -0.83 -0.31 0.00 0.00 0.00 0.00 61.98 60.91 3kgx s VAL 346 Cb -0.13 -2.04 -0.11 0.00 0.00 0.00 0.00 36.38 34.10 3kgx s VAL 346 CO 0.01 0.54 1.59 -0.89 0.00 0.00 0.00 175.10 176.35 3kgx s THR 347 N 0.47 2.22 0.11 3.92 2.01 0.39 -0.19 115.64 124.57 3kgx s THR 347 Ca -0.12 0.17 -0.31 0.00 0.31 0.00 0.00 61.69 61.74 3kgx s THR 347 Cb -0.17 -3.11 -0.10 0.00 0.01 0.00 0.00 72.50 69.14 3kgx s THR 347 CO 0.05 0.02 1.71 -0.69 -0.69 0.00 0.00 174.62 175.02 3kgx s VAL 348 N 0.39 2.71 0.38 3.82 1.01 -0.93 -4.53 120.40 123.25 3kgx s VAL 348 Ca 0.66 0.29 -0.27 0.00 0.00 0.00 0.00 61.98 62.66 3kgx s VAL 348 Cb -0.47 -3.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.64 3kgx s VAL 348 CO 0.42 0.00 1.28 -2.16 0.00 0.00 0.00 175.10 174.65 3kgx s PRO 349 N 2.32 4.09 0.26 2.72 0.04 -1.26 -4.94 135.00 138.24 3kgx s PRO 349 Ca 0.76 2.13 -0.30 0.00 0.04 0.00 0.00 61.00 63.62 3kgx s PRO 349 Cb -0.43 -2.84 -0.13 0.00 0.04 0.00 0.00 34.50 31.14 3kgx s PRO 349 CO 0.33 -0.38 1.38 0.00 0.04 0.00 0.00 177.00 178.38 3kgx n ALA 350 N 0.32 1.17 0.00 8.56 0.00 -1.26 -2.79 120.51 126.51 3kgx n ALA 350 Ca 0.03 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3kgx n ALA 350 Cb 0.43 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.61 3kgx n ALA 350 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kgx n GLY 351 N 1.88 3.26 3.92 0.00 0.00 -1.26 -4.83 105.19 108.16 3kgx n GLY 351 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 3kgx n GLY 351 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kgx s TYR 352 N -2.18 3.48 -0.30 1.61 1.51 -1.12 -1.66 117.35 118.69 3kgx s TYR 352 Ca 0.00 0.41 -0.17 0.00 -1.01 0.00 0.00 57.07 56.30 3kgx s TYR 352 Cb 0.00 -1.91 -0.02 0.00 -0.11 0.00 0.00 41.96 39.92 3kgx s TYR 352 CO 0.00 0.34 0.49 1.21 -1.11 0.00 0.00 175.55 176.48 3kgx s ASN 353 N -3.13 6.35 0.41 2.29 3.84 -1.26 -4.89 114.94 118.54 3kgx s ASN 353 Ca 0.40 0.22 0.11 0.00 0.21 0.00 0.00 52.86 53.80 3kgx s ASN 353 Cb -0.11 -2.26 0.93 0.00 -0.55 0.00 0.00 41.25 39.25 3kgx s ASN 353 CO 0.29 -0.36 1.97 4.11 -2.79 0.00 0.00 177.10 180.32 3kgx h TRP 354 N 8.25 0.55 -0.69 0.43 5.08 -1.94 -1.85 115.95 125.79 3kgx h TRP 354 Ca -0.29 0.01 -0.02 0.00 1.08 0.00 0.00 58.89 59.67 3kgx h TRP 354 Cb 1.14 -0.18 -0.03 0.00 -3.00 0.00 0.00 29.16 27.08 3kgx h TRP 354 CO 0.74 0.27 0.33 0.00 -1.28 0.00 0.00 178.44 178.50 3kgx h ARG 355 N 0.53 0.98 -0.64 0.12 3.08 -1.99 -1.67 114.38 114.78 3kgx h ARG 355 Ca 0.29 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 3kgx h ARG 355 Cb 0.43 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 3kgx h ARG 355 CO -0.09 0.76 0.24 -0.44 -1.07 0.00 0.00 179.97 179.36 3kgx h ASP 356 N 0.97 0.91 0.13 7.04 3.32 -1.76 -0.27 116.42 126.77 3kgx h ASP 356 Ca 0.24 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3kgx h ASP 356 Cb 0.10 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3kgx h ASP 356 CO -0.03 0.85 -0.06 0.40 -1.72 0.00 0.00 179.24 178.68 3kgx h ILE 357 N 0.91 0.93 -0.49 0.35 2.04 -1.31 0.28 117.51 120.23 3kgx h ILE 357 Ca 0.21 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.85 3kgx h ILE 357 Cb 0.24 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3kgx h ILE 357 CO -0.01 0.06 0.32 0.58 0.00 0.00 0.00 178.15 179.09 3kgx h VAL 358 N -0.28 1.11 -0.67 1.67 2.07 -1.23 -1.38 116.25 117.54 3kgx h VAL 358 Ca -0.02 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 3kgx h VAL 358 Cb 0.23 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3kgx h VAL 358 CO 0.03 0.12 0.22 0.28 0.02 0.00 0.00 177.57 178.24 3kgx h SER 359 N 0.65 0.97 -0.38 0.57 0.02 -0.96 -2.02 113.55 112.39 3kgx h SER 359 Ca 0.18 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3kgx h SER 359 Cb -0.06 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.21 3kgx h SER 359 CO -0.05 0.91 0.21 0.22 -1.14 0.00 0.00 176.83 176.98 3kgx h TYR 360 N 0.97 0.53 -0.78 3.45 5.03 -0.51 0.37 116.97 126.02 3kgx h TYR 360 Ca 0.22 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.53 3kgx h TYR 360 Cb 0.28 -0.17 -0.04 0.00 1.55 0.00 0.00 36.73 38.35 3kgx h TYR 360 CO 0.02 0.41 0.51 0.28 -1.32 0.00 0.00 178.16 178.06 3kgx h VAL 361 N 0.49 1.18 0.22 1.81 2.07 -1.17 -1.00 116.25 119.84 3kgx h VAL 361 Ca 0.13 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3kgx h VAL 361 Cb 0.06 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 3kgx h VAL 361 CO -0.02 0.19 -0.10 0.25 0.02 0.00 0.00 177.57 177.90 3kgx h LEU 362 N 1.03 -0.25 -0.70 2.57 5.85 -0.93 -2.67 115.31 120.21 3kgx h LEU 362 Ca 0.29 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3kgx h LEU 362 Cb -0.08 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3kgx h LEU 362 CO -0.08 0.15 0.31 0.44 -0.34 0.00 0.00 178.44 178.93 3kgx h ASP 363 N -0.69 0.94 0.40 1.25 3.32 -0.20 -0.99 116.42 120.46 3kgx h ASP 363 Ca -0.03 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3kgx h ASP 363 Cb 0.48 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3kgx h ASP 363 CO 0.05 0.83 -1.54 1.41 -1.72 0.00 0.00 179.24 178.27 3kgx n HIS 364 N -4.41 0.38 -0.34 4.55 8.25 -0.39 -4.60 115.22 118.67 3kgx n HIS 364 Ca 0.06 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 3kgx n HIS 364 Cb 0.15 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 30.60 3kgx n HIS 364 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3kgx n PHE 365 N -2.38 0.00 -3.49 4.41 3.01 -1.01 -5.03 117.46 112.96 3kgx n PHE 365 Ca -0.02 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.19 3kgx n PHE 365 Cb 0.55 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.06 3kgx n PHE 365 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3kgx n SER 366 N -0.12 -5.55 -4.27 4.37 7.64 -0.37 -4.89 113.62 110.42 3kgx n SER 366 Ca 0.00 -0.52 -0.32 0.00 1.01 0.00 0.00 58.87 59.04 3kgx n SER 366 Cb 0.08 -4.44 -0.16 0.00 -1.01 0.00 0.00 64.21 58.68 3kgx n SER 366 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3kgx s ILE 367 N -3.22 2.40 -0.24 0.44 1.01 -1.19 -1.06 121.20 119.33 3kgx s ILE 367 Ca 0.51 -0.89 -0.13 0.00 0.00 0.00 0.00 60.65 60.13 3kgx s ILE 367 Cb -0.24 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 3kgx s ILE 367 CO 0.63 0.55 0.30 -1.61 0.00 0.00 0.00 174.94 174.80 3kgx s GLU 368 N 0.40 4.06 0.46 2.79 2.02 0.33 -2.97 118.70 125.79 3kgx s GLU 368 Ca -0.15 -0.05 0.03 0.00 0.02 0.00 0.00 54.97 54.82 3kgx s GLU 368 Cb -0.17 -3.59 -0.02 0.00 0.10 0.00 0.00 34.13 30.44 3kgx s GLU 368 CO 0.07 -0.11 0.05 0.96 0.02 0.00 0.00 175.26 176.25 3kgx s ILE 369 N 1.56 1.02 0.25 -1.63 -4.36 -1.26 -0.41 121.20 116.37 3kgx s ILE 369 Ca 0.13 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.54 3kgx s ILE 369 Cb -0.15 -2.32 -0.04 0.00 1.25 0.00 0.00 42.46 41.20 3kgx s ILE 369 CO 0.08 0.00 0.18 -0.94 0.24 0.00 0.00 174.94 174.50 3kgx s SER 370 N -3.75 0.78 0.00 4.36 1.04 -0.86 -4.82 113.70 110.46 3kgx s SER 370 Ca 0.16 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 55.06 3kgx s SER 370 Cb 0.03 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.59 3kgx s SER 370 CO 0.09 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.00 3kgx n GLY 371 N -0.41 1.06 1.17 7.32 0.00 -1.26 -0.18 105.19 112.88 3kgx n GLY 371 Ca 0.04 -1.73 -0.07 0.00 0.00 0.00 0.00 46.02 44.26 3kgx n GLY 371 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgx n GLY 372 N 5.00 0.26 3.33 -0.02 0.00 -1.09 -3.74 105.19 108.93 3kgx n GLY 372 Ca 0.00 -1.91 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 3kgx n GLY 372 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kgx s LEU 373 N 0.00 0.30 0.00 0.99 2.96 -1.26 -4.59 118.68 117.08 3kgx s LEU 373 Ca 0.21 0.88 0.00 0.00 -0.22 0.00 0.00 54.13 55.00 3kgx s LEU 373 Cb -0.01 1.49 0.00 0.00 0.50 0.00 0.00 46.19 48.17 3kgx s LEU 373 CO 0.14 -0.15 0.00 0.61 -1.32 0.00 0.00 176.35 175.62 3kgx n GLY 374 N 2.94 3.32 0.12 7.98 0.00 -1.26 -1.86 105.19 116.43 3kgx n GLY 374 Ca -0.14 0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.25 3kgx n GLY 374 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kgx n PRO 375 N 11.30 0.18 -0.19 1.61 -0.04 -1.26 -1.98 135.00 144.62 3kgx n PRO 375 Ca 0.00 0.39 0.10 0.00 -0.04 0.00 0.00 63.50 63.95 3kgx n PRO 375 Cb 0.00 -1.83 0.27 0.00 -0.04 0.00 0.00 33.50 31.89 3kgx n PRO 375 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kgx n THR 376 N -2.18 0.51 -1.71 0.52 -2.24 -0.78 -4.91 114.28 103.49 3kgx n THR 376 Ca 0.02 -0.63 -0.43 0.00 -2.27 0.00 0.00 64.05 60.75 3kgx n THR 376 Cb 0.24 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 3kgx n THR 376 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kgx n GLU 377 N 1.02 2.55 -0.41 -0.78 1.02 -0.84 -1.44 120.64 121.76 3kgx n GLU 377 Ca 0.18 0.92 0.00 0.00 -0.02 0.00 0.00 57.16 58.24 3kgx n GLU 377 Cb 0.47 -2.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.19 3kgx n GLU 377 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3kgx n GLU 378 N 3.09 0.00 -0.05 3.49 -0.58 -1.26 -4.82 120.64 120.51 3kgx n GLU 378 Ca 0.13 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.86 3kgx n GLU 378 Cb 0.34 -2.95 -0.13 0.00 -0.57 0.00 0.00 31.44 28.12 3kgx n GLU 378 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3kgx n ARG 379 N -2.00 1.07 -4.23 3.49 1.74 -0.52 -4.93 116.66 111.28 3kgx n ARG 379 Ca 0.00 -0.06 -0.13 0.00 -0.77 0.00 0.00 57.85 56.89 3kgx n ARG 379 Cb 0.00 -1.41 -0.10 0.00 -1.02 0.00 0.00 32.46 29.93 3kgx n ARG 379 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3kgx s VAL 380 N -2.68 0.40 -0.01 1.55 -7.23 -1.16 -2.18 120.40 109.08 3kgx s VAL 380 Ca -0.07 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.14 3kgx s VAL 380 Cb 0.07 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 3kgx s VAL 380 CO 0.68 -0.28 0.00 -0.76 -0.31 0.00 0.00 175.10 174.44 3kgx s LEU 381 N -3.18 3.52 -0.10 1.32 1.43 0.74 -2.66 118.68 119.76 3kgx s LEU 381 Ca 0.30 0.00 0.04 0.00 -1.03 0.00 0.00 54.13 53.44 3kgx s LEU 381 Cb 0.07 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 3kgx s LEU 381 CO 0.07 0.29 -0.24 -0.13 0.23 0.00 0.00 176.35 176.57 3kgx s ARG 382 N -1.52 2.99 -0.16 1.70 0.52 0.75 -0.79 118.95 122.43 3kgx s ARG 382 Ca 0.19 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 3kgx s ARG 382 Cb -0.11 -2.27 0.03 0.00 0.52 0.00 0.00 34.95 33.12 3kgx s ARG 382 CO 0.10 0.18 -0.13 0.42 0.02 0.00 0.00 175.30 175.89 3kgx s ILE 383 N 0.33 1.57 -0.12 1.52 1.01 -0.74 -2.02 121.20 122.75 3kgx s ILE 383 Ca -0.18 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 59.70 3kgx s ILE 383 Cb -0.18 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 3kgx s ILE 383 CO 0.09 0.39 0.10 -0.83 0.00 0.00 0.00 174.94 174.68 3kgx s GLY 384 N 1.47 2.05 -0.43 6.18 0.00 0.51 -1.16 107.32 115.94 3kgx s GLY 384 Ca 0.04 -0.69 0.02 0.00 0.00 0.00 0.00 44.72 44.09 3kgx s GLY 384 CO -0.10 -0.39 0.20 1.08 0.00 0.00 0.00 173.10 173.90 3kgx s LEU 385 N -0.85 3.31 -0.37 0.66 1.43 -0.10 -4.43 118.68 118.33 3kgx s LEU 385 Ca 0.14 -2.55 0.02 0.00 -1.03 0.00 0.00 54.13 50.70 3kgx s LEU 385 Cb -0.12 -1.25 0.10 0.00 0.03 0.00 0.00 46.19 44.96 3kgx s LEU 385 CO 0.03 -0.29 0.11 -0.76 0.23 0.00 0.00 176.35 175.67 3kgx s LEU 386 N 0.40 4.88 0.00 1.79 1.43 -1.26 -4.48 118.68 121.44 3kgx s LEU 386 Ca 0.16 -2.18 0.00 0.00 -1.03 0.00 0.00 54.13 51.08 3kgx s LEU 386 Cb -0.23 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.30 3kgx s LEU 386 CO -0.04 -0.42 0.00 0.61 0.23 0.00 0.00 176.35 176.74 3kgx n GLY 387 N 4.27 2.20 0.34 -3.19 0.00 -1.25 -3.34 105.19 104.22 3kgx n GLY 387 Ca 0.03 0.18 0.15 0.00 0.00 0.00 0.00 46.02 46.37 3kgx n GLY 387 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3kgx h TYR 388 N 0.00 0.95 0.00 1.61 3.20 -1.85 -0.37 116.97 120.50 3kgx h TYR 388 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3kgx h TYR 388 Cb 0.00 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.00 3kgx h TYR 388 CO 0.00 0.09 0.00 0.09 -1.64 0.00 0.00 178.16 176.70 3kgx n ASN 389 N -4.89 0.00 -3.99 -2.11 3.02 -1.21 -4.57 115.26 101.51 3kgx n ASN 389 Ca 0.24 0.23 -0.42 0.00 -0.03 0.00 0.00 54.58 54.60 3kgx n ASN 389 Cb 0.67 -0.40 -0.01 0.00 -0.61 0.00 0.00 39.78 39.43 3kgx n ASN 389 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kgx n ALA 390 N -1.40 4.70 -2.37 5.41 0.00 -0.15 -4.74 120.51 121.97 3kgx n ALA 390 Ca 0.09 -3.80 -0.16 0.00 0.00 0.00 0.00 53.44 49.57 3kgx n ALA 390 Cb 0.26 -3.57 -0.10 0.00 0.00 0.00 0.00 19.45 16.04 3kgx n ALA 390 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3kgx s THR 391 N 3.87 1.27 0.26 0.00 -4.23 -1.26 -4.76 115.64 110.79 3kgx s THR 391 Ca 0.50 -1.92 0.12 0.00 -1.18 0.00 0.00 61.69 59.22 3kgx s THR 391 Cb 0.11 -1.71 0.02 0.00 1.34 0.00 0.00 72.50 72.25 3kgx s THR 391 CO -0.02 -0.60 1.66 0.71 -0.54 0.00 0.00 174.62 175.83 3kgx h THR 392 N 3.08 1.31 -0.38 3.99 1.35 -1.93 -2.36 112.91 117.96 3kgx h THR 392 Ca -0.38 -1.91 -0.03 0.00 -0.55 0.00 0.00 66.41 63.55 3kgx h THR 392 Cb 1.20 2.05 -0.02 0.00 -1.73 0.00 0.00 68.15 69.65 3kgx h THR 392 CO 0.58 0.53 0.13 -0.08 -0.25 0.00 0.00 175.52 176.43 3kgx h GLU 393 N 0.00 0.59 -0.86 4.72 4.81 -1.97 -1.72 114.58 120.15 3kgx h GLU 393 Ca -0.01 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3kgx h GLU 393 Cb 1.01 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.26 3kgx h GLU 393 CO 0.07 0.59 0.50 -0.91 -0.73 0.00 0.00 179.01 178.53 3kgx h ASN 394 N 0.47 1.04 -0.12 1.04 2.35 -1.83 -0.61 115.58 117.93 3kgx h ASN 394 Ca 0.12 -0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3kgx h ASN 394 Cb 0.24 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3kgx h ASN 394 CO -0.01 0.81 0.06 0.58 -1.65 0.00 0.00 177.43 177.23 3kgx h VAL 395 N 1.18 1.01 -0.92 2.81 2.07 -1.33 -1.56 116.25 119.50 3kgx h VAL 395 Ca 0.31 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.82 3kgx h VAL 395 Cb -0.03 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 3kgx h VAL 395 CO -0.06 0.02 0.61 0.44 0.02 0.00 0.00 177.57 178.61 3kgx h ASP 396 N 0.13 1.00 -0.22 0.57 3.32 -0.99 0.35 116.42 120.58 3kgx h ASP 396 Ca 0.05 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3kgx h ASP 396 Cb 0.00 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3kgx h ASP 396 CO -0.03 0.69 0.06 0.03 -1.72 0.00 0.00 179.24 178.27 3kgx h ARG 397 N 1.16 0.35 -0.25 3.56 3.08 -0.86 -2.26 114.38 119.16 3kgx h ARG 397 Ca 0.37 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 60.19 3kgx h ARG 397 Cb 0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3kgx h ARG 397 CO -0.11 0.45 -0.45 -0.24 -1.07 0.00 0.00 179.97 178.55 3kgx h VAL 398 N 0.18 1.30 -0.49 2.04 3.04 -0.94 -2.33 116.25 119.06 3kgx h VAL 398 Ca 0.07 -1.65 0.02 0.00 -1.01 0.00 0.00 66.70 64.13 3kgx h VAL 398 Cb 0.25 1.60 -0.03 0.00 -2.01 0.00 0.00 31.29 31.10 3kgx h VAL 398 CO -0.00 0.52 0.29 0.00 -1.01 0.00 0.00 177.57 177.38 3kgx h ALA 399 N 0.99 0.62 -0.43 3.17 0.00 -0.91 0.18 119.26 122.88 3kgx h ALA 399 Ca 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3kgx h ALA 399 Cb 0.99 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3kgx h ALA 399 CO 0.09 -0.00 0.15 1.49 0.00 0.00 0.00 179.25 180.98 3kgx h GLU 400 N 0.59 0.65 -0.69 0.00 4.81 -1.31 -0.73 114.58 117.91 3kgx h GLU 400 Ca 0.19 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3kgx h GLU 400 Cb 0.00 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 3kgx h GLU 400 CO -0.08 0.62 0.44 0.00 -0.73 0.00 0.00 179.01 179.26 3kgx h ALA 401 N 1.00 0.89 -0.42 2.92 0.00 -1.15 -1.26 119.26 121.23 3kgx h ALA 401 Ca 0.14 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3kgx h ALA 401 Cb 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3kgx h ALA 401 CO -0.01 0.24 -0.07 -0.07 0.00 0.00 0.00 179.25 179.34 3kgx h LEU 402 N 0.88 0.79 -0.84 0.00 3.38 -0.74 -1.13 115.31 117.65 3kgx h LEU 402 Ca 0.27 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3kgx h LEU 402 Cb -0.03 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 3kgx h LEU 402 CO -0.09 0.95 0.54 0.03 0.09 0.00 0.00 178.44 179.97 3kgx h ARG 403 N 0.62 1.11 -0.27 1.13 3.08 -0.92 -1.50 114.38 117.64 3kgx h ARG 403 Ca 0.11 -0.08 -0.16 0.00 0.07 0.00 0.00 59.98 59.92 3kgx h ARG 403 Cb 0.59 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 3kgx h ARG 403 CO 0.04 0.75 -0.49 1.49 -1.07 0.00 0.00 179.97 180.69 3kgx h GLU 404 N 1.14 0.74 -0.68 0.04 4.81 -1.10 -2.15 114.58 117.38 3kgx h GLU 404 Ca 0.31 -0.43 0.02 0.00 -0.13 0.00 0.00 59.36 59.12 3kgx h GLU 404 Cb -0.11 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 3kgx h GLU 404 CO -0.06 1.06 0.44 0.00 -0.73 0.00 0.00 179.01 179.71 3kgx h ALA 405 N 0.87 0.87 0.00 2.92 0.00 -0.92 0.31 119.26 123.30 3kgx h ALA 405 Ca 0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3kgx h ALA 405 Cb 1.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3kgx h ALA 405 CO 0.10 0.25 -0.22 -0.07 0.00 0.00 0.00 179.25 179.31 3kgx h LEU 406 N 0.88 0.00 0.03 0.00 3.38 -1.14 0.17 115.31 118.63 3kgx h LEU 406 Ca 0.26 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.04 3kgx h LEU 406 Cb -0.06 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.71 3kgx h LEU 406 CO -0.07 0.22 -0.75 1.56 0.09 0.00 0.00 178.44 179.49 3kgx h GLN 407 N 0.00 0.46 0.00 1.13 1.08 -0.69 -3.40 115.11 113.68 3kgx h GLN 407 Ca -0.00 -0.53 0.00 0.00 -1.45 0.00 0.00 58.65 56.67 3kgx h GLN 407 Cb 0.45 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 3kgx h GLN 407 CO 0.03 1.18 -1.40 0.72 -0.95 0.00 0.00 178.83 178.41 3kgx n HIS 408 N -4.12 0.00 -2.63 2.96 8.25 0.03 -4.97 115.22 114.75 3kgx n HIS 408 Ca -0.11 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.99 3kgx n HIS 408 Cb 0.75 -0.24 -0.05 0.00 1.12 0.00 0.00 29.99 31.57 3kgx n HIS 408 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kgx s PRO 410 N -2.61 4.39 0.00 0.00 0.02 -1.26 -4.93 135.00 130.61 3kgx s PRO 410 Ca 0.58 2.17 0.05 0.00 0.02 0.00 0.00 61.00 63.83 3kgx s PRO 410 Cb -0.19 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.23 3kgx s PRO 410 CO 0.24 -0.15 -0.16 0.21 -0.33 0.00 0.00 177.00 176.81 3kgx s LYS 411 N -1.72 1.23 0.00 5.54 2.20 -1.26 -4.46 119.74 121.27 3kgx s LYS 411 Ca 0.49 -0.65 0.30 0.00 -0.36 0.00 0.00 55.97 55.74 3kgx s LYS 411 Cb -0.39 -1.22 1.50 0.00 -1.51 0.00 0.00 37.83 36.21 3kgx s LYS 411 CO 0.51 0.33 2.00 0.09 -0.36 0.00 0.00 175.35 177.92