#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgx s LEU 28 N 0.00 3.95 0.12 1.69 1.43 -1.26 -4.98 118.68 119.63 3kgx s LEU 28 Ca 0.00 1.90 -0.25 0.00 -1.03 0.00 0.00 54.13 54.75 3kgx s LEU 28 Cb 0.00 -4.45 -0.06 0.00 0.03 0.00 0.00 46.19 41.71 3kgx s LEU 28 CO 0.00 -0.60 1.66 0.25 0.23 0.00 0.00 176.35 177.89 3kgx h LEU 29 N 1.91 -0.57 -8.72 1.79 5.85 -2.14 -3.41 115.31 110.03 3kgx h LEU 29 Ca -0.49 0.08 -0.64 0.00 0.84 0.00 0.00 57.88 57.67 3kgx h LEU 29 Cb 1.21 0.24 -0.22 0.00 0.37 0.00 0.00 40.66 42.25 3kgx h LEU 29 CO 0.60 -0.26 -0.64 -0.69 -0.34 0.00 0.00 178.44 177.12 3kgx s VAL 30 N -6.11 4.18 0.64 1.05 1.01 -1.26 -5.12 120.40 114.79 3kgx s VAL 30 Ca -0.15 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 3kgx s VAL 30 Cb 0.09 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.57 3kgx s VAL 30 CO 0.66 0.40 0.97 -2.16 0.00 0.00 0.00 175.10 174.97 3kgx s PRO 31 N 1.15 2.75 0.08 2.72 0.04 -1.26 -5.01 135.00 135.47 3kgx s PRO 31 Ca 0.03 0.06 -0.33 0.00 0.04 0.00 0.00 61.00 60.80 3kgx s PRO 31 Cb -0.14 -2.19 -0.12 0.00 0.04 0.00 0.00 34.50 32.08 3kgx s PRO 31 CO 0.02 -0.89 1.74 -2.30 0.04 0.00 0.00 177.00 175.61 3kgx n PRO 32 N -2.76 2.37 -1.87 0.56 -0.02 -1.26 -4.90 135.00 127.12 3kgx n PRO 32 Ca 0.06 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 61.98 3kgx n PRO 32 Cb 0.58 -2.69 -0.03 0.00 -0.02 0.00 0.00 33.50 31.34 3kgx n PRO 32 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3kgx s PRO 33 N 2.31 4.17 0.31 0.52 0.02 -1.26 -4.88 135.00 136.19 3kgx s PRO 33 Ca 0.83 2.37 0.01 0.00 0.02 0.00 0.00 61.00 64.23 3kgx s PRO 33 Cb -0.62 -3.98 0.55 0.00 0.02 0.00 0.00 34.50 30.47 3kgx s PRO 33 CO 0.41 -0.87 1.94 1.05 -0.33 0.00 0.00 177.00 179.20 3kgx h GLU 34 N 9.71 0.97 -0.79 5.54 9.09 -2.03 -2.62 114.58 134.45 3kgx h GLU 34 Ca -0.44 -0.06 0.17 0.00 0.05 0.00 0.00 59.36 59.09 3kgx h GLU 34 Cb 1.20 -0.22 -0.05 0.00 -1.65 0.00 0.00 28.75 28.03 3kgx h GLU 34 CO 0.95 0.64 0.53 0.00 0.05 0.00 0.00 179.01 181.18 3kgx h ALA 35 N 1.52 2.21 0.00 1.06 0.00 -1.99 -1.59 119.26 120.47 3kgx h ALA 35 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3kgx h ALA 35 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kgx h ALA 35 CO -0.12 -0.44 0.00 -0.07 0.00 0.00 0.00 179.25 178.63 3kgx h LEU 36 N 0.36 0.00 -0.90 0.00 3.38 -1.86 -3.26 115.31 113.03 3kgx h LEU 36 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3kgx h LEU 36 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3kgx h LEU 36 CO -0.12 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.18 3kgx h SER 37 N 0.00 0.00 -3.44 -0.43 4.64 -1.39 -3.44 113.55 109.49 3kgx h SER 37 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 3kgx h SER 37 Cb 0.62 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.68 3kgx h SER 37 CO 0.00 0.00 0.01 -0.54 -0.87 0.00 0.00 176.83 175.43 3kgx s LYS 38 N -3.40 4.11 0.56 4.77 3.01 -1.23 -5.05 119.74 122.51 3kgx s LYS 38 Ca 0.03 0.68 -0.21 0.00 -1.01 0.00 0.00 55.97 55.46 3kgx s LYS 38 Cb 0.09 -2.90 -0.04 0.00 -1.01 0.00 0.00 37.83 33.97 3kgx s LYS 38 CO 0.40 0.44 1.30 -2.14 0.51 0.00 0.00 175.35 175.85 3kgx s PRO 39 N -1.97 3.07 -0.00 -1.68 0.02 -1.26 -4.96 135.00 128.22 3kgx s PRO 39 Ca 0.40 2.07 -0.30 0.00 0.02 0.00 0.00 61.00 63.20 3kgx s PRO 39 Cb -0.16 -2.14 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 3kgx s PRO 39 CO 0.20 -1.20 1.19 -1.17 -0.33 0.00 0.00 177.00 175.70 3kgx s LEU 40 N -3.72 4.32 -0.02 -5.54 2.96 -1.26 -5.03 118.68 110.39 3kgx s LEU 40 Ca 0.74 1.90 0.01 0.00 -0.22 0.00 0.00 54.13 56.56 3kgx s LEU 40 Cb -0.37 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 42.77 3kgx s LEU 40 CO 0.42 -0.52 -0.05 -0.94 -1.32 0.00 0.00 176.35 173.94 3kgx s SER 41 N 1.29 0.76 -0.10 3.68 1.04 -1.26 -5.14 113.70 113.96 3kgx s SER 41 Ca 0.57 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.90 3kgx s SER 41 Cb -0.27 -0.24 0.02 0.00 0.10 0.00 0.00 66.02 65.63 3kgx s SER 41 CO 0.25 0.00 -0.12 -0.69 0.98 0.00 0.00 173.24 173.67 3kgx s VAL 42 N 0.41 1.25 0.77 5.02 1.01 -1.26 -5.14 120.40 122.47 3kgx s VAL 42 Ca -0.05 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 3kgx s VAL 42 Cb -0.09 -1.18 0.06 0.00 0.00 0.00 0.00 36.38 35.17 3kgx s VAL 42 CO -0.00 0.40 1.09 -2.16 0.00 0.00 0.00 175.10 174.42 3kgx s PRO 43 N 1.17 2.26 -0.42 2.72 0.04 -1.26 -5.01 135.00 134.51 3kgx s PRO 43 Ca -0.04 1.08 -0.18 0.00 0.04 0.00 0.00 61.00 61.89 3kgx s PRO 43 Cb -0.14 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.51 3kgx s PRO 43 CO -0.03 -1.61 0.51 0.99 0.04 0.00 0.00 177.00 176.89 3kgx s THR 44 N -2.94 5.00 0.08 1.26 2.01 -1.26 -5.05 115.64 114.75 3kgx s THR 44 Ca 0.61 -0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.45 3kgx s THR 44 Cb -0.17 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 3kgx s THR 44 CO 0.56 -0.47 -0.07 -0.13 -0.69 0.00 0.00 174.62 173.82 3kgx s ARG 45 N 2.37 0.73 -0.35 4.92 0.52 -1.26 -4.99 118.95 120.89 3kgx s ARG 45 Ca 0.16 -1.16 -0.17 0.00 -0.52 0.00 0.00 55.73 54.04 3kgx s ARG 45 Cb -0.16 -0.22 -0.01 0.00 0.52 0.00 0.00 34.95 35.09 3kgx s ARG 45 CO 0.15 0.00 0.47 -1.17 0.02 0.00 0.00 175.30 174.77 3kgx s LEU 46 N -2.59 4.38 -0.67 2.53 2.96 -0.33 -4.99 118.68 119.98 3kgx s LEU 46 Ca 0.05 -0.10 -0.17 0.00 -0.22 0.00 0.00 54.13 53.69 3kgx s LEU 46 Cb 0.01 -2.51 0.13 0.00 0.50 0.00 0.00 46.19 44.32 3kgx s LEU 46 CO -0.03 -0.44 0.73 -0.76 -1.32 0.00 0.00 176.35 174.53 3kgx s LEU 47 N 2.28 5.74 -0.40 -0.68 1.43 -1.26 -1.09 118.68 124.70 3kgx s LEU 47 Ca 0.17 -1.81 0.05 0.00 -1.03 0.00 0.00 54.13 51.51 3kgx s LEU 47 Cb -0.16 -2.28 0.51 0.00 0.03 0.00 0.00 46.19 44.29 3kgx s LEU 47 CO 0.13 -0.97 1.61 0.18 0.23 0.00 0.00 176.35 177.54 3kgx n LEU 48 N 5.74 5.53 0.00 1.79 4.77 0.22 -4.40 117.00 130.64 3kgx n LEU 48 Ca -0.02 -4.07 0.00 0.00 -0.03 0.00 0.00 56.01 51.89 3kgx n LEU 48 Cb 0.44 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 3kgx n LEU 48 CO 0.52 1.45 0.00 0.61 -1.33 0.00 0.00 177.39 178.64 3kgx n GLY 49 N -1.00 1.34 0.00 -0.72 0.00 -0.85 -0.21 105.19 103.75 3kgx n GLY 49 Ca 0.47 -2.03 0.07 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.89 0.65 0.00 1.61 -0.04 -1.26 -3.18 135.00 131.89 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 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 0.25 4.28 3.78 0.55 0.00 -1.26 -4.93 105.19 107.86 3kgx n GLY 51 Ca 0.10 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.91 2.66 0.44 1.61 0.04 -1.26 -5.12 135.00 129.47 3kgx s PRO 52 Ca 0.00 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.33 3kgx s PRO 52 Cb 0.00 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3kgx s PRO 52 CO 0.00 -1.34 0.64 -1.54 0.04 0.00 0.00 177.00 174.80 3kgx s SER 53 N -2.95 5.75 0.55 6.66 1.04 -0.81 -4.77 113.70 119.17 3kgx s SER 53 Ca 0.64 0.09 -0.20 0.00 0.48 0.00 0.00 55.95 56.97 3kgx s SER 53 Cb -0.19 -1.30 -0.05 0.00 0.10 0.00 0.00 66.02 64.58 3kgx s SER 53 CO 0.47 -0.73 1.17 0.20 0.98 0.00 0.00 173.24 175.33 3kgx s ASN 54 N -4.25 5.55 0.14 7.02 -0.87 -1.26 -4.88 114.94 116.39 3kgx s ASN 54 Ca 0.50 2.29 -0.26 0.00 -1.57 0.00 0.00 52.86 53.82 3kgx s ASN 54 Cb -0.10 -2.59 -0.07 0.00 -0.02 0.00 0.00 41.25 38.47 3kgx s ASN 54 CO 0.36 -1.34 0.78 -0.76 -2.57 0.00 0.00 177.10 173.58 3kgx s LEU 55 N -3.82 4.56 0.60 0.60 1.43 -1.26 -4.71 118.68 116.09 3kgx s LEU 55 Ca 0.74 1.62 -0.17 0.00 -1.03 0.00 0.00 54.13 55.29 3kgx s LEU 55 Cb -0.27 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 3kgx s LEU 55 CO 0.30 0.16 1.11 0.00 0.23 0.00 0.00 176.35 178.15 3kgx s ALA 56 N -0.89 2.60 0.24 4.21 0.00 -1.24 -4.75 121.76 121.94 3kgx s ALA 56 Ca 0.37 0.64 -0.05 0.00 0.00 0.00 0.00 51.96 52.92 3kgx s ALA 56 Cb -0.23 -3.32 0.47 0.00 0.00 0.00 0.00 23.12 20.04 3kgx s ALA 56 CO 0.26 -0.99 1.68 -1.35 0.00 0.00 0.00 175.76 175.36 3kgx h PRO 57 N 0.59 0.26 -0.37 0.00 0.11 -1.97 0.12 132.00 130.74 3kgx h PRO 57 Ca -0.48 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3kgx h PRO 57 Cb 1.25 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3kgx h PRO 57 CO 0.56 0.17 0.14 -0.09 -0.21 0.00 0.00 178.00 178.57 3kgx h ARG 58 N 0.26 0.52 -0.18 1.05 2.43 -1.96 0.28 114.38 116.79 3kgx h ARG 58 Ca 0.42 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 59.35 3kgx h ARG 58 Cb 0.72 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3kgx h ARG 58 CO -0.52 0.44 -0.55 0.28 -1.51 0.00 0.00 179.97 178.11 3kgx h VAL 59 N 0.52 1.31 -0.41 0.20 2.07 -1.48 -2.32 116.25 116.14 3kgx h VAL 59 Ca 0.13 -1.79 0.04 0.00 0.82 0.00 0.00 66.70 65.91 3kgx h VAL 59 Cb 0.11 1.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 3kgx h VAL 59 CO -0.01 0.56 0.17 -0.07 0.02 0.00 0.00 177.57 178.23 3kgx h LEU 60 N 0.38 0.20 -0.58 2.57 3.38 -0.13 -2.51 115.31 118.62 3kgx h LEU 60 Ca -0.02 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3kgx h LEU 60 Cb 1.17 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 3kgx h LEU 60 CO 0.12 0.15 0.37 0.00 0.09 0.00 0.00 178.44 179.17 3kgx h ALA 61 N 1.25 0.74 -0.17 1.53 0.00 -0.96 -2.53 119.26 119.12 3kgx h ALA 61 Ca 0.19 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3kgx h ALA 61 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kgx h ALA 61 CO -0.17 0.14 0.12 0.00 0.00 0.00 0.00 179.25 179.34 3kgx h ALA 62 N 1.23 2.15 -0.28 0.00 0.00 -1.18 -3.23 119.26 117.94 3kgx h ALA 62 Ca 0.22 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.20 3kgx h ALA 62 Cb -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kgx h ALA 62 CO -0.06 -0.19 0.25 0.78 0.00 0.00 0.00 179.25 180.02 3kgx h GLY 63 N 0.01 0.00 -1.65 0.00 0.00 -1.01 -2.51 103.07 97.91 3kgx h GLY 63 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 3kgx h GLY 63 CO -0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 3kgx n SER 64 N -4.02 3.83 -4.77 0.19 3.41 -1.22 -5.03 113.62 106.00 3kgx n SER 64 Ca 0.04 -3.07 -0.37 0.00 -0.26 0.00 0.00 58.87 55.21 3kgx n SER 64 Cb 0.40 -0.55 -0.02 0.00 -0.26 0.00 0.00 64.21 63.77 3kgx n SER 64 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3kgx s LEU 65 N -2.86 4.11 0.74 1.04 1.43 -0.95 -5.01 118.68 117.19 3kgx s LEU 65 Ca 0.43 2.20 -0.13 0.00 -1.03 0.00 0.00 54.13 55.60 3kgx s LEU 65 Cb 0.35 -4.16 0.05 0.00 0.03 0.00 0.00 46.19 42.45 3kgx s LEU 65 CO 0.08 -0.68 1.13 -0.13 0.23 0.00 0.00 176.35 176.98 3kgx s ARG 66 N -2.51 2.26 0.49 1.70 0.52 -1.26 -5.01 118.95 115.14 3kgx s ARG 66 Ca 0.59 1.41 -0.20 0.00 -0.52 0.00 0.00 55.73 57.02 3kgx s ARG 66 Cb -0.26 -1.88 -0.08 0.00 0.52 0.00 0.00 34.95 33.24 3kgx s ARG 66 CO 0.33 -1.68 1.03 -1.64 0.02 0.00 0.00 175.30 173.36 3kgx s MET 67 N -4.39 3.81 0.15 3.54 -1.94 -1.26 -5.04 119.30 114.17 3kgx s MET 67 Ca 0.66 1.30 0.01 0.00 -1.71 0.00 0.00 55.69 55.96 3kgx s MET 67 Cb -0.21 -2.10 -0.04 0.00 2.01 0.00 0.00 34.83 34.48 3kgx s MET 67 CO 0.49 -0.41 0.01 0.96 -0.01 0.00 0.00 175.02 176.06 3kgx s ILE 68 N -2.07 0.53 0.49 2.53 -4.36 -1.26 -5.15 121.20 111.91 3kgx s ILE 68 Ca 0.66 -1.95 -0.22 0.00 -0.26 0.00 0.00 60.65 58.88 3kgx s ILE 68 Cb -0.15 -2.03 -0.06 0.00 1.25 0.00 0.00 42.46 41.46 3kgx s ILE 68 CO 0.21 -0.54 1.19 -0.83 0.24 0.00 0.00 174.94 175.21 3kgx s GLY 69 N -3.12 2.77 0.38 6.27 0.00 -1.26 -4.95 107.32 107.42 3kgx s GLY 69 Ca 0.22 0.99 0.05 0.00 0.00 0.00 0.00 44.72 45.98 3kgx s GLY 69 CO 0.02 1.44 2.03 0.45 0.00 0.00 0.00 173.10 177.03 3kgx h HIS 70 N 1.75 0.66 -0.48 1.90 -0.00 -1.96 -2.70 115.15 114.33 3kgx h HIS 70 Ca -0.50 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.89 3kgx h HIS 70 Cb 1.26 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.45 3kgx h HIS 70 CO 0.51 0.41 0.00 -1.33 -0.00 0.00 0.00 177.93 177.52 3kgx n MET 71 N -4.46 2.54 -2.19 2.45 2.81 -1.26 -4.64 117.12 112.37 3kgx n MET 71 Ca 0.05 -2.36 -0.34 0.00 -1.81 0.00 0.00 57.70 53.25 3kgx n MET 71 Cb 0.07 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 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 -1.30 3.34 0.31 0.03 -1.52 -1.02 -4.83 119.66 114.67 3kgx s GLN 72 Ca 0.40 1.44 0.06 0.00 -1.95 0.00 0.00 55.36 55.30 3kgx s GLN 72 Cb 0.23 -2.02 0.83 0.00 -0.22 0.00 0.00 33.01 31.83 3kgx s GLN 72 CO 0.31 -0.82 1.63 -0.22 -0.25 0.00 0.00 175.29 175.94 3kgx h LYS 73 N 0.92 0.17 -0.03 2.91 3.64 -1.95 -0.59 116.57 121.64 3kgx h LYS 73 Ca -0.49 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 58.71 3kgx h LYS 73 Cb 1.24 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 3kgx h LYS 73 CO 0.57 0.11 -0.73 0.93 -2.27 0.00 0.00 179.45 178.06 3kgx h GLU 74 N 0.18 0.20 -0.24 1.90 3.07 -1.93 -1.20 114.58 116.56 3kgx h GLU 74 Ca 0.61 -0.18 -0.14 0.00 -0.50 0.00 0.00 59.36 59.16 3kgx h GLU 74 Cb 1.32 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 29.27 3kgx h GLU 74 CO -0.70 0.85 -0.40 1.98 -1.40 0.00 0.00 179.01 179.34 3kgx h MET 75 N 0.13 0.69 -0.77 2.33 4.05 -1.41 -1.38 114.93 118.58 3kgx h MET 75 Ca -0.02 -0.43 0.01 0.00 -0.28 0.00 0.00 59.70 58.98 3kgx h MET 75 Cb 1.30 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 32.10 3kgx h MET 75 CO 0.11 1.05 0.50 -0.07 0.23 0.00 0.00 176.91 178.73 3kgx h LEU 76 N 0.41 0.87 -0.37 3.39 3.38 -1.10 -0.51 115.31 121.37 3kgx h LEU 76 Ca 0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3kgx h LEU 76 Cb 1.00 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 3kgx h LEU 76 CO 0.09 0.62 0.16 -0.61 0.09 0.00 0.00 178.44 178.79 3kgx h GLN 77 N 1.02 0.55 -0.91 1.13 5.75 -1.15 -1.54 115.11 119.97 3kgx h GLN 77 Ca 0.29 -0.09 0.04 0.00 -0.15 0.00 0.00 58.65 58.73 3kgx h GLN 77 Cb -0.10 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.31 3kgx h GLN 77 CO -0.07 0.52 0.58 0.82 -2.65 0.00 0.00 178.83 178.03 3kgx h ILE 78 N 0.46 1.13 -0.57 2.39 2.04 -0.85 -1.38 117.51 120.73 3kgx h ILE 78 Ca 0.13 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 3kgx h ILE 78 Cb 0.16 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.13 3kgx h ILE 78 CO -0.01 0.20 0.25 0.24 0.00 0.00 0.00 178.15 178.83 3kgx h MET 79 N 1.11 0.84 -0.34 2.37 2.86 -0.83 -0.22 114.93 120.72 3kgx h MET 79 Ca 0.37 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3kgx h MET 79 Cb 0.04 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3kgx h MET 79 CO -0.13 0.71 0.21 1.49 1.06 0.00 0.00 176.91 180.25 3kgx h GLU 80 N 0.79 0.46 -0.75 1.72 4.57 -0.91 -1.32 114.58 119.14 3kgx h GLU 80 Ca 0.19 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.28 3kgx h GLU 80 Cb 0.16 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 3kgx h GLU 80 CO -0.02 0.33 0.23 0.93 -1.18 0.00 0.00 179.01 179.30 3kgx h GLU 81 N 0.45 1.17 -0.39 1.92 5.08 -1.05 -1.68 114.58 120.08 3kgx h GLU 81 Ca 0.12 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3kgx h GLU 81 Cb -0.01 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3kgx h GLU 81 CO -0.02 1.00 0.25 0.82 -1.00 0.00 0.00 179.01 180.05 3kgx h ILE 82 N 1.12 1.12 -0.41 3.13 2.04 -0.86 -1.03 117.51 122.62 3kgx h ILE 82 Ca 0.24 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.88 3kgx h ILE 82 Cb 0.32 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 3kgx h ILE 82 CO -0.01 0.12 0.22 0.50 0.00 0.00 0.00 178.15 178.98 3kgx h LYS 83 N 0.52 0.43 -0.97 2.37 3.64 -0.91 0.13 116.57 121.77 3kgx h LYS 83 Ca 0.14 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 3kgx h LYS 83 Cb -0.02 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.65 3kgx h LYS 83 CO -0.03 0.28 0.63 1.96 -2.27 0.00 0.00 179.45 180.03 3kgx h GLN 84 N 0.44 1.20 -0.40 1.90 4.20 -1.16 0.20 115.11 121.48 3kgx h GLN 84 Ca 0.17 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 3kgx h GLN 84 Cb 0.06 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3kgx h GLN 84 CO -0.11 0.79 -0.00 0.78 -0.67 0.00 0.00 178.83 179.62 3kgx h GLY 85 N 1.23 0.77 0.93 3.46 0.00 -0.46 -1.02 103.07 107.97 3kgx h GLY 85 Ca 0.38 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 3kgx h GLY 85 CO -0.12 0.52 0.10 -2.22 0.00 0.00 0.00 176.54 174.82 3kgx h ILE 86 N 0.54 1.22 -0.82 2.60 2.04 -0.47 -1.12 117.51 121.50 3kgx h ILE 86 Ca 0.11 -0.76 0.11 0.00 1.00 0.00 0.00 64.86 65.32 3kgx h ILE 86 Cb 0.48 0.99 -0.08 0.00 -0.74 0.00 0.00 36.82 37.47 3kgx h ILE 86 CO 0.02 0.26 0.45 1.56 0.00 0.00 0.00 178.15 180.44 3kgx h GLN 87 N 0.47 0.71 0.08 2.37 4.20 -0.83 -0.59 115.11 121.52 3kgx h GLN 87 Ca 0.12 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 3kgx h GLN 87 Cb 0.30 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3kgx h GLN 87 CO 0.00 0.47 -0.04 -0.92 -0.67 0.00 0.00 178.83 177.67 3kgx h TYR 88 N 0.74 -0.10 -0.52 2.96 3.20 -0.93 0.56 116.97 122.89 3kgx h TYR 88 Ca 0.41 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.17 3kgx h TYR 88 Cb 0.43 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 3kgx h TYR 88 CO -0.07 0.13 -0.10 0.28 -1.64 0.00 0.00 178.16 176.76 3kgx h VAL 89 N -0.33 1.27 0.00 1.81 2.07 -0.87 -2.52 116.25 117.67 3kgx h VAL 89 Ca -0.01 -1.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.21 3kgx h VAL 89 Cb 0.28 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3kgx h VAL 89 CO 0.02 0.43 -0.28 -0.26 0.02 0.00 0.00 177.57 177.51 3kgx h PHE 90 N 0.86 0.00 -5.29 1.57 -1.00 -1.19 -3.45 116.94 108.43 3kgx h PHE 90 Ca 0.14 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.68 3kgx h PHE 90 Cb 0.65 0.00 0.18 0.00 3.61 0.00 0.00 35.95 40.39 3kgx h PHE 90 CO 0.04 0.28 -0.80 1.04 -1.61 0.00 0.00 178.31 177.26 3kgx n GLN 91 N -3.31 -2.38 -4.07 1.51 1.13 -0.05 -1.74 117.38 108.46 3kgx n GLN 91 Ca 0.01 0.81 -0.12 0.00 -1.94 0.00 0.00 57.00 55.76 3kgx n GLN 91 Cb 0.52 -5.56 -0.11 0.00 0.11 0.00 0.00 30.24 25.20 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 0.51 -1.45 5.09 -1.32 -0.01 -2.68 115.64 112.42 3kgx s THR 92 Ca 0.40 -1.25 0.16 0.00 -1.21 0.00 0.00 61.69 59.79 3kgx s THR 92 Cb -0.05 -0.80 0.43 0.00 -1.51 0.00 0.00 72.50 70.56 3kgx s THR 92 CO 0.69 -0.51 1.35 0.54 -2.21 0.00 0.00 174.62 174.48 3kgx n ARG 93 N 1.15 2.69 -1.68 7.08 1.74 -1.26 -4.54 116.66 121.84 3kgx n ARG 93 Ca -0.21 -2.26 -0.49 0.00 -0.77 0.00 0.00 57.85 54.13 3kgx n ARG 93 Cb 0.56 -1.40 -0.05 0.00 -1.02 0.00 0.00 32.46 30.56 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 1.01 3.34 0.23 0.55 3.02 -1.26 -4.87 115.26 117.29 3kgx n ASN 94 Ca 0.17 0.99 0.10 0.00 -0.03 0.00 0.00 54.58 55.81 3kgx n ASN 94 Cb 0.51 -1.36 0.55 0.00 -0.61 0.00 0.00 39.78 38.86 3kgx n ASN 94 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3kgx h PRO 95 N 8.70 0.00 -3.96 3.52 0.13 -1.91 -3.33 132.00 135.16 3kgx h PRO 95 Ca -0.48 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 63.91 3kgx h PRO 95 Cb 1.27 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.26 3kgx h PRO 95 CO 0.94 0.21 1.97 -0.11 -0.23 0.00 0.00 178.00 180.78 3kgx n LEU 96 N -3.58 6.25 -3.88 1.56 0.00 -1.26 -4.72 117.00 111.36 3kgx n LEU 96 Ca -0.01 -4.53 -0.23 0.00 0.00 0.00 0.00 56.01 51.25 3kgx n LEU 96 Cb 0.36 -1.54 -0.17 0.00 0.00 0.00 0.00 43.42 42.07 3kgx n LEU 96 CO 0.33 1.14 -0.42 -0.89 0.00 0.00 0.00 177.39 177.56 3kgx s THR 97 N 1.08 0.66 0.18 1.96 2.01 -1.25 -1.11 115.64 119.18 3kgx s THR 97 Ca 0.42 -0.14 -0.12 0.00 0.31 0.00 0.00 61.69 62.16 3kgx s THR 97 Cb 0.07 -0.71 0.04 0.00 0.01 0.00 0.00 72.50 71.91 3kgx s THR 97 CO -0.00 0.28 0.58 0.00 -0.69 0.00 0.00 174.62 174.78 3kgx n LEU 98 N 4.45 0.00 -4.61 4.42 -0.00 -0.04 -4.83 117.00 116.40 3kgx n LEU 98 Ca -0.18 -1.27 -0.34 0.00 -0.00 0.00 0.00 56.01 54.22 3kgx n LEU 98 Cb 0.51 2.09 -0.11 0.00 -0.00 0.00 0.00 43.42 45.91 3kgx n LEU 98 CO 0.19 -0.42 -0.36 -0.69 -0.00 0.00 0.00 177.39 176.11 3kgx s VAL 99 N -2.34 3.88 0.10 1.47 1.01 -1.26 -1.04 120.40 122.21 3kgx s VAL 99 Ca 0.12 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.73 3kgx s VAL 99 Cb -0.02 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 3kgx s VAL 99 CO 0.05 0.57 -0.21 0.68 0.00 0.00 0.00 175.10 176.20 3kgx s VAL 100 N -0.86 1.68 0.48 2.92 -7.23 -0.39 -4.98 120.40 112.02 3kgx s VAL 100 Ca 0.13 -1.52 -0.22 0.00 -1.81 0.00 0.00 61.98 58.57 3kgx s VAL 100 Cb -0.11 -1.53 -0.07 0.00 0.56 0.00 0.00 36.38 35.23 3kgx s VAL 100 CO 0.03 -0.06 1.15 -0.44 -0.31 0.00 0.00 175.10 175.47 3kgx s SER 101 N -1.87 6.05 0.00 4.85 0.01 -1.26 -0.64 113.70 120.83 3kgx s SER 101 Ca 0.06 2.26 0.00 0.00 1.31 0.00 0.00 55.95 59.58 3kgx s SER 101 Cb -0.10 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.53 3kgx s SER 101 CO 0.04 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.30 3kgx n GLY 102 N 0.36 3.67 3.86 3.44 0.00 -0.09 -4.74 105.19 111.69 3kgx n GLY 102 Ca 0.08 -1.57 -0.23 0.00 0.00 0.00 0.00 46.02 44.30 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 4.79 1.95 1.61 1.04 -1.26 -2.75 113.70 119.08 3kgx s SER 103 Ca 0.00 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.46 3kgx s SER 103 Cb 0.00 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.90 3kgx s SER 103 CO 0.00 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.04 3kgx n GLY 104 N -1.57 3.75 1.40 7.32 0.00 -1.26 -2.29 105.19 112.54 3kgx n GLY 104 Ca 0.01 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 13.91 1.51 0.19 1.61 -0.00 -1.26 -4.62 115.22 126.55 3kgx n HIS 105 Ca 0.00 -0.78 0.15 0.00 -0.00 0.00 0.00 57.72 57.09 3kgx n HIS 105 Cb 0.00 -0.40 0.76 0.00 -0.00 0.00 0.00 29.99 30.35 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 -2.46 1.22 -0.10 0.00 0.00 -1.26 -0.75 120.51 117.16 3kgx n ALA 107 Ca 0.02 0.17 0.09 0.00 0.00 0.00 0.00 53.44 53.71 3kgx n ALA 107 Cb 0.30 -1.34 0.44 0.00 0.00 0.00 0.00 19.45 18.84 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 0.54 -0.49 0.00 -0.00 -1.82 -1.61 114.93 111.54 3kgx h MET 108 Ca 0.00 -0.03 -0.05 0.00 -0.00 0.00 0.00 59.70 59.62 3kgx h MET 108 Cb 0.11 -0.12 -0.02 0.00 -0.00 0.00 0.00 31.60 31.56 3kgx h MET 108 CO 0.00 0.36 0.12 0.93 -0.00 0.00 0.00 176.91 178.32 3kgx h GLU 109 N 0.55 0.79 -0.32 -0.10 5.08 -1.19 0.05 114.58 119.43 3kgx h GLU 109 Ca 0.26 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3kgx h GLU 109 Cb 0.33 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3kgx h GLU 109 CO -0.08 0.76 0.17 1.15 -1.00 0.00 0.00 179.01 180.01 3kgx h THR 110 N 0.68 1.00 0.18 1.13 2.02 -1.58 0.09 112.91 116.42 3kgx h THR 110 Ca 0.16 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 3kgx h THR 110 Cb 0.32 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3kgx h THR 110 CO 0.00 0.06 -0.08 0.00 0.37 0.00 0.00 175.52 175.87 3kgx h ALA 111 N 1.16 -0.24 -0.43 6.16 0.00 -1.08 -2.85 119.26 121.98 3kgx h ALA 111 Ca 0.13 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3kgx h ALA 111 Cb 0.04 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3kgx h ALA 111 CO -0.08 -0.63 -0.20 -0.07 0.00 0.00 0.00 179.25 178.26 3kgx h LEU 112 N -0.24 0.92 -1.22 0.00 3.38 -0.84 -0.88 115.31 116.44 3kgx h LEU 112 Ca -0.02 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.55 3kgx h LEU 112 Cb 0.18 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3kgx h LEU 112 CO 0.04 1.12 0.51 -0.26 0.09 0.00 0.00 178.44 179.94 3kgx h PHE 113 N 0.72 0.99 0.07 1.13 0.04 -1.03 -0.90 116.94 117.97 3kgx h PHE 113 Ca 0.10 0.02 -0.21 0.00 2.80 0.00 0.00 57.97 60.68 3kgx h PHE 113 Cb 0.77 -0.33 0.02 0.00 2.20 0.00 0.00 35.95 38.60 3kgx h PHE 113 CO 0.06 0.63 -0.85 -0.91 -0.60 0.00 0.00 178.31 176.64 3kgx h ASN 114 N 1.07 0.62 0.71 2.17 2.35 -1.35 -3.40 115.58 117.74 3kgx h ASN 114 Ca 0.29 -0.83 -0.26 0.00 -0.55 0.00 0.00 56.30 54.94 3kgx h ASN 114 Cb -0.11 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.05 3kgx h ASN 114 CO -0.06 1.39 -1.25 -0.07 -1.65 0.00 0.00 177.43 175.79 3kgx h LEU 115 N -0.06 0.26 -9.11 1.61 3.38 -0.96 -3.42 115.31 107.02 3kgx h LEU 115 Ca -0.13 -0.31 -0.64 0.00 0.09 0.00 0.00 57.88 56.90 3kgx h LEU 115 Cb 1.58 -0.09 -0.16 0.00 0.09 0.00 0.00 40.66 42.08 3kgx h LEU 115 CO 0.16 1.24 -0.59 -0.76 0.09 0.00 0.00 178.44 178.58 3kgx s LEU 116 N -6.92 3.68 0.22 1.67 1.43 -0.36 -4.85 118.68 113.55 3kgx s LEU 116 Ca -0.03 0.07 0.07 0.00 -1.03 0.00 0.00 54.13 53.21 3kgx s LEU 116 Cb 0.08 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 3kgx s LEU 116 CO 0.86 0.23 0.13 -1.61 0.23 0.00 0.00 176.35 176.19 3kgx s GLU 117 N 0.03 2.77 0.25 1.70 2.02 -1.26 -4.78 118.70 119.43 3kgx s GLU 117 Ca 0.04 -1.07 -0.31 0.00 0.02 0.00 0.00 54.97 53.65 3kgx s GLU 117 Cb -0.12 -2.50 -0.13 0.00 0.10 0.00 0.00 34.13 31.47 3kgx s GLU 117 CO 0.01 0.42 1.42 -2.30 0.02 0.00 0.00 175.26 174.84 3kgx n PRO 118 N -0.82 2.10 0.00 0.39 -0.02 -1.26 -1.33 135.00 134.06 3kgx n PRO 118 Ca -0.08 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3kgx n PRO 118 Cb 0.57 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 2.13 2.08 3.75 -1.23 0.00 0.04 -4.92 105.19 107.04 3kgx n GLY 119 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.16 6.77 -0.03 1.61 1.01 -0.44 -4.40 116.67 118.03 3kgx s ASP 120 Ca 0.00 2.62 -0.30 0.00 0.71 0.00 0.00 52.55 55.58 3kgx s ASP 120 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 3kgx s ASP 120 CO 0.00 -0.58 1.18 -0.55 0.21 0.00 0.00 175.17 175.43 3kgx s SER 121 N -0.04 7.08 -0.03 0.27 0.15 -1.26 -0.33 113.70 119.54 3kgx s SER 121 Ca 0.54 1.84 0.04 0.00 0.70 0.00 0.00 55.95 59.07 3kgx s SER 121 Cb -0.40 -2.56 -0.00 0.00 -1.71 0.00 0.00 66.02 61.35 3kgx s SER 121 CO 0.46 -0.54 -0.15 0.12 1.20 0.00 0.00 173.24 174.33 3kgx s PHE 122 N 1.94 1.44 -0.05 3.44 5.36 -0.37 -0.77 117.98 128.98 3kgx s PHE 122 Ca 0.56 -0.37 0.06 0.00 -0.96 0.00 0.00 56.93 56.22 3kgx s PHE 122 Cb -0.25 -0.97 -0.01 0.00 -0.34 0.00 0.00 43.02 41.45 3kgx s PHE 122 CO 0.23 -0.11 -0.23 -1.17 -1.46 0.00 0.00 175.22 172.49 3kgx s LEU 123 N -0.04 2.03 0.09 6.12 2.96 -0.61 -0.49 118.68 128.74 3kgx s LEU 123 Ca -0.01 -0.46 0.10 0.00 -0.22 0.00 0.00 54.13 53.54 3kgx s LEU 123 Cb -0.09 -1.25 -0.03 0.00 0.50 0.00 0.00 46.19 45.31 3kgx s LEU 123 CO 0.01 0.23 -0.26 0.42 -1.32 0.00 0.00 176.35 175.42 3kgx s THR 124 N -0.16 2.18 -1.08 3.68 -4.23 -0.51 -0.93 115.64 114.59 3kgx s THR 124 Ca -0.02 -1.57 -0.17 0.00 -1.18 0.00 0.00 61.69 58.75 3kgx s THR 124 Cb -0.13 -1.90 0.13 0.00 1.34 0.00 0.00 72.50 71.94 3kgx s THR 124 CO 0.03 0.22 1.35 -0.83 -0.54 0.00 0.00 174.62 174.85 3kgx s GLY 125 N -1.65 2.00 -1.12 3.99 0.00 -0.35 -0.87 107.32 109.33 3kgx s GLY 125 Ca 0.13 -2.95 -0.18 0.00 0.00 0.00 0.00 44.72 41.73 3kgx s GLY 125 CO 0.04 2.19 1.42 -1.59 0.00 0.00 0.00 173.10 175.15 3kgx s THR 126 N 2.72 4.57 -0.16 0.90 2.01 -0.34 -4.25 115.64 121.08 3kgx s THR 126 Ca 0.40 -1.87 0.16 0.00 0.31 0.00 0.00 61.69 60.69 3kgx s THR 126 Cb -0.02 -4.96 0.35 0.00 0.01 0.00 0.00 72.50 67.87 3kgx s THR 126 CO -0.04 -1.73 1.19 -0.46 -0.69 0.00 0.00 174.62 172.89 3kgx n ASN 127 N 7.03 2.28 0.00 3.53 6.94 -1.26 -1.76 115.26 132.01 3kgx n ASN 127 Ca 0.35 -3.32 0.00 0.00 -0.02 0.00 0.00 54.58 51.59 3kgx n ASN 127 Cb 0.47 -0.47 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 -1.29 -0.97 0.21 4.83 0.00 -1.26 -4.39 105.19 102.32 3kgx n GLY 128 Ca 0.18 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 1.27 -0.16 -0.61 2.10 -1.95 -3.24 117.51 114.92 3kgx h ILE 129 Ca 0.00 -1.27 -0.08 0.00 1.08 0.00 0.00 64.86 64.59 3kgx h ILE 129 Cb 0.00 1.56 -0.00 0.00 -1.09 0.00 0.00 36.82 37.29 3kgx h ILE 129 CO 0.00 0.38 -0.22 -0.50 -1.08 0.00 0.00 178.15 176.73 3kgx h TRP 130 N 0.16 0.54 -0.92 2.19 4.06 -1.95 -1.06 115.95 118.97 3kgx h TRP 130 Ca 0.02 -0.18 -0.00 0.00 2.06 0.00 0.00 58.89 60.79 3kgx h TRP 130 Cb 0.66 -0.11 -0.04 0.00 -1.00 0.00 0.00 29.16 28.67 3kgx h TRP 130 CO 0.01 0.85 0.57 0.78 -3.56 0.00 0.00 178.44 177.09 3kgx h GLY 131 N 0.07 1.33 1.05 1.49 0.00 -1.74 -0.94 103.07 104.33 3kgx h GLY 131 Ca 0.02 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 46.75 3kgx h GLY 131 CO 0.05 0.52 0.17 1.98 0.00 0.00 0.00 176.54 179.26 3kgx h MET 132 N 1.27 1.07 -0.39 4.80 1.85 -1.54 -1.35 114.93 120.65 3kgx h MET 132 Ca 0.33 -0.26 -0.03 0.00 -0.61 0.00 0.00 59.70 59.13 3kgx h MET 132 Cb -0.08 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 31.79 3kgx h MET 132 CO -0.06 0.96 0.11 -0.09 -0.40 0.00 0.00 176.91 177.42 3kgx h ARG 133 N 1.00 0.61 -0.84 0.39 9.65 -0.84 -1.20 114.38 123.15 3kgx h ARG 133 Ca 0.21 -0.14 0.03 0.00 -1.10 0.00 0.00 59.98 58.99 3kgx h ARG 133 Cb 0.36 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.80 3kgx h ARG 133 CO 0.00 0.63 0.54 0.00 2.80 0.00 0.00 179.97 183.94 3kgx h ALA 134 N 0.96 1.11 -0.88 2.80 0.00 -1.03 -1.49 119.26 120.72 3kgx h ALA 134 Ca 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3kgx h ALA 134 Cb 0.28 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3kgx h ALA 134 CO -0.00 0.37 0.48 0.00 0.00 0.00 0.00 179.25 180.10 3kgx h ALA 135 N 1.35 1.19 -0.21 0.00 0.00 -0.98 -1.16 119.26 119.45 3kgx h ALA 135 Ca 0.34 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3kgx h ALA 135 Cb 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3kgx h ALA 135 CO -0.12 0.65 0.05 1.49 0.00 0.00 0.00 179.25 181.32 3kgx h GLU 136 N 1.24 0.34 -0.47 0.00 4.57 -0.50 -1.08 114.58 118.68 3kgx h GLU 136 Ca 0.31 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 3kgx h GLU 136 Cb 0.03 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 3kgx h GLU 136 CO -0.05 0.46 0.30 0.82 -1.18 0.00 0.00 179.01 179.36 3kgx h ILE 137 N 0.15 1.13 -0.54 2.32 2.04 -1.08 -1.80 117.51 119.74 3kgx h ILE 137 Ca 0.07 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 3kgx h ILE 137 Cb 0.28 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3kgx h ILE 137 CO 0.00 0.13 0.15 0.00 0.00 0.00 0.00 178.15 178.43 3kgx h ALA 138 N 1.15 1.24 -0.40 1.87 0.00 -1.12 -2.42 119.26 119.58 3kgx h ALA 138 Ca 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3kgx h ALA 138 Cb -0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3kgx h ALA 138 CO -0.03 0.53 0.21 0.22 0.00 0.00 0.00 179.25 180.18 3kgx h ASP 139 N 0.79 0.50 -0.04 0.00 3.58 -0.79 -1.74 116.42 118.73 3kgx h ASP 139 Ca 0.18 -0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.54 3kgx h ASP 139 Cb 0.27 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.19 3kgx h ASP 139 CO -0.00 0.46 0.03 0.03 -2.88 0.00 0.00 179.24 176.87 3kgx h ARG 140 N 0.51 0.00 -0.18 0.28 3.08 -0.86 -1.55 114.38 115.67 3kgx h ARG 140 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3kgx h ARG 140 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3kgx h ARG 140 CO -0.02 0.00 0.00 0.44 -1.07 0.00 0.00 179.97 179.32 3kgx n ILE 141 N -4.51 0.21 -0.42 2.04 -5.35 -1.04 -4.97 119.36 105.34 3kgx n ILE 141 Ca -0.02 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 3kgx n ILE 141 Cb 0.13 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 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 0.78 3.77 3.28 0.00 -0.58 -4.08 105.19 109.65 3kgx n GLY 142 Ca 0.17 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 2.34 -0.56 4.61 0.00 -0.68 -0.78 121.76 124.69 3kgx s ALA 143 Ca 0.00 0.34 -0.21 0.00 0.00 0.00 0.00 51.96 52.10 3kgx s ALA 143 Cb 0.00 -3.28 0.07 0.00 0.00 0.00 0.00 23.12 19.91 3kgx s ALA 143 CO 0.00 -1.58 0.77 1.03 0.00 0.00 0.00 175.76 175.97 3kgx s ARG 144 N -4.66 3.14 -0.17 0.00 1.81 0.56 -4.62 118.95 115.01 3kgx s ARG 144 Ca 0.63 -0.87 -0.18 0.00 -1.72 0.00 0.00 55.73 53.59 3kgx s ARG 144 Cb -0.18 -4.16 -0.04 0.00 -0.45 0.00 0.00 34.95 30.13 3kgx s ARG 144 CO 0.51 -1.46 0.47 0.08 -0.68 0.00 0.00 175.30 174.23 3kgx s VAL 145 N 3.15 5.16 -0.01 3.52 1.01 -1.26 -1.23 120.40 130.74 3kgx s VAL 145 Ca 0.18 0.90 0.07 0.00 0.00 0.00 0.00 61.98 63.12 3kgx s VAL 145 Cb -0.19 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 3kgx s VAL 145 CO 0.11 0.26 -0.21 -1.00 0.00 0.00 0.00 175.10 174.26 3kgx s HIS 146 N 1.14 1.85 -0.02 5.22 3.76 0.36 -4.98 115.29 122.62 3kgx s HIS 146 Ca 0.24 -0.35 0.03 0.00 -0.15 0.00 0.00 55.06 54.82 3kgx s HIS 146 Cb -0.15 -1.18 -0.00 0.00 1.11 0.00 0.00 32.58 32.36 3kgx s HIS 146 CO 0.09 -0.01 -0.10 -0.65 -0.85 0.00 0.00 174.74 173.23 3kgx s GLN 147 N -0.59 0.94 -0.52 1.40 -0.21 -1.26 -1.42 119.66 118.01 3kgx s GLN 147 Ca 0.08 -0.33 -0.18 0.00 0.02 0.00 0.00 55.36 54.96 3kgx s GLN 147 Cb -0.08 -0.89 0.08 0.00 1.00 0.00 0.00 33.01 33.12 3kgx s GLN 147 CO -0.00 0.15 0.56 -1.64 -2.12 0.00 0.00 175.29 172.23 3kgx s MET 148 N 0.07 3.05 -0.22 2.91 -1.94 -0.05 -4.94 119.30 118.18 3kgx s MET 148 Ca -0.01 -1.22 -0.18 0.00 -1.71 0.00 0.00 55.69 52.57 3kgx s MET 148 Cb -0.07 -4.17 -0.03 0.00 2.01 0.00 0.00 34.83 32.57 3kgx s MET 148 CO 0.00 -1.24 0.50 0.42 -0.01 0.00 0.00 175.02 174.69 3kgx s ILE 149 N 2.22 5.11 0.19 2.53 1.01 -1.26 -1.20 121.20 129.79 3kgx s ILE 149 Ca 0.10 0.90 0.07 0.00 0.00 0.00 0.00 60.65 61.71 3kgx s ILE 149 Cb -0.23 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 3kgx s ILE 149 CO 0.08 0.16 -0.14 -0.54 0.00 0.00 0.00 174.94 174.50 3kgx s LYS 150 N 1.79 1.26 0.47 2.79 1.02 -0.72 -5.02 119.74 121.33 3kgx s LYS 150 Ca 0.22 -1.54 -0.23 0.00 0.02 0.00 0.00 55.97 54.44 3kgx s LYS 150 Cb -0.15 -1.02 -0.07 0.00 -0.52 0.00 0.00 37.83 36.07 3kgx s LYS 150 CO 0.09 0.17 1.26 0.15 -0.92 0.00 0.00 175.35 176.10 3kgx s LYS 151 N -3.58 3.62 0.20 1.68 1.02 -1.26 -4.42 119.74 117.00 3kgx s LYS 151 Ca 0.20 2.01 -0.32 0.00 0.02 0.00 0.00 55.97 57.89 3kgx s LYS 151 Cb -0.00 -2.45 -0.11 0.00 -0.52 0.00 0.00 37.83 34.74 3kgx s LYS 151 CO 0.05 -0.73 1.66 -1.25 -0.92 0.00 0.00 175.35 174.16 3kgx s PRO 152 N -2.64 4.16 0.00 -1.68 0.04 -1.26 -2.12 135.00 131.49 3kgx s PRO 152 Ca 0.64 2.52 0.00 0.00 0.04 0.00 0.00 61.00 64.21 3kgx s PRO 152 Cb -0.35 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.10 3kgx s PRO 152 CO 0.42 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 177.18 3kgx n GLY 153 N 3.77 0.61 3.80 0.56 0.00 -1.26 -5.02 105.19 107.65 3kgx n GLY 153 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.62 2.71 0.47 1.61 2.02 -0.90 -4.70 118.70 119.30 3kgx s GLU 154 Ca 0.00 -1.24 0.03 0.00 0.02 0.00 0.00 54.97 53.78 3kgx s GLU 154 Cb 0.00 -2.44 -0.03 0.00 0.10 0.00 0.00 34.13 31.76 3kgx s GLU 154 CO 0.00 0.25 0.01 -3.38 0.02 0.00 0.00 175.26 172.16 3kgx s HIS 155 N -2.25 2.04 -0.15 1.61 -3.43 -1.26 -4.92 115.29 106.93 3kgx s HIS 155 Ca 0.36 -0.89 -0.07 0.00 -0.80 0.00 0.00 55.06 53.66 3kgx s HIS 155 Cb -0.06 -1.63 -0.04 0.00 -1.43 0.00 0.00 32.58 29.42 3kgx s HIS 155 CO 0.25 0.26 0.10 0.71 -2.00 0.00 0.00 174.74 174.05 3kgx s TYR 156 N -2.86 3.40 0.50 0.38 2.02 -1.26 -5.09 117.35 114.44 3kgx s TYR 156 Ca 0.15 0.32 -0.02 0.00 -0.37 0.00 0.00 57.07 57.15 3kgx s TYR 156 Cb 0.04 -2.00 0.00 0.00 -0.40 0.00 0.00 41.96 39.61 3kgx s TYR 156 CO 0.08 0.45 0.76 0.95 -1.57 0.00 0.00 175.55 176.22 3kgx s THR 157 N -0.36 3.83 0.34 -0.71 -4.23 -1.26 -4.79 115.64 108.45 3kgx s THR 157 Ca 0.10 -0.32 0.02 0.00 -1.18 0.00 0.00 61.69 60.31 3kgx s THR 157 Cb -0.12 -3.45 0.27 0.00 1.34 0.00 0.00 72.50 70.54 3kgx s THR 157 CO 0.01 -0.37 1.99 -0.07 -0.54 0.00 0.00 174.62 175.64 3kgx h LEU 158 N 0.19 0.78 -0.47 4.79 3.38 -1.98 -2.25 115.31 119.74 3kgx h LEU 158 Ca -0.46 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 3kgx h LEU 158 Cb 1.26 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3kgx h LEU 158 CO 0.58 0.55 0.03 -0.61 0.09 0.00 0.00 178.44 179.08 3kgx h GLN 159 N 0.91 0.81 -0.29 1.13 4.15 -1.99 0.58 115.11 120.41 3kgx h GLN 159 Ca 0.27 -0.24 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 3kgx h GLN 159 Cb -0.02 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 3kgx h GLN 159 CO -0.07 0.85 0.12 0.93 -1.93 0.00 0.00 178.83 178.73 3kgx h GLU 160 N 0.67 0.43 -0.69 1.69 5.08 -1.88 -1.58 114.58 118.31 3kgx h GLU 160 Ca 0.14 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3kgx h GLU 160 Cb 0.46 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3kgx h GLU 160 CO 0.02 0.44 0.24 0.28 -1.00 0.00 0.00 179.01 178.99 3kgx h VAL 161 N 0.33 1.25 -0.88 3.13 2.07 -1.20 -1.80 116.25 119.16 3kgx h VAL 161 Ca 0.10 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 3kgx h VAL 161 Cb 0.16 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 3kgx h VAL 161 CO -0.01 0.33 0.49 -0.08 0.02 0.00 0.00 177.57 178.31 3kgx h GLU 162 N 1.00 1.22 -0.64 1.57 4.81 -0.66 -0.35 114.58 121.52 3kgx h GLU 162 Ca 0.23 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3kgx h GLU 162 Cb 0.26 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3kgx h GLU 162 CO -0.01 0.88 0.38 0.93 -0.73 0.00 0.00 179.01 180.47 3kgx h GLU 163 N 1.22 0.87 -0.31 1.92 5.08 -1.01 -1.08 114.58 121.27 3kgx h GLU 163 Ca 0.31 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3kgx h GLU 163 Cb 0.02 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3kgx h GLU 163 CO -0.05 0.63 0.15 0.78 -1.00 0.00 0.00 179.01 179.52 3kgx h GLY 164 N 0.87 0.48 0.94 -3.84 0.00 -0.70 -1.66 103.07 99.17 3kgx h GLY 164 Ca 0.23 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.33 3kgx h GLY 164 CO -0.04 0.23 0.22 1.41 0.00 0.00 0.00 176.54 178.36 3kgx h LEU 165 N 0.37 0.37 -0.70 3.11 3.38 -0.88 -1.40 115.31 119.56 3kgx h LEU 165 Ca 0.11 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kgx h LEU 165 Cb 0.11 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3kgx h LEU 165 CO -0.01 0.27 0.43 0.00 0.09 0.00 0.00 178.44 179.21 3kgx h ALA 166 N 1.15 0.89 -0.13 1.53 0.00 -1.14 0.71 119.26 122.28 3kgx h ALA 166 Ca 0.14 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3kgx h ALA 166 Cb -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3kgx h ALA 166 CO -0.06 0.36 -0.24 0.37 0.00 0.00 0.00 179.25 179.69 3kgx h GLN 167 N 0.95 0.39 0.00 0.00 5.75 -1.16 -3.38 115.11 117.67 3kgx h GLN 167 Ca 0.25 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3kgx h GLN 167 Cb -0.04 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.54 3kgx h GLN 167 CO -0.05 0.84 -1.30 0.72 -2.65 0.00 0.00 178.83 176.39 3kgx n HIS 168 N -4.47 0.00 -3.97 3.99 8.25 -0.54 -5.03 115.22 113.45 3kgx n HIS 168 Ca -0.07 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.08 3kgx n HIS 168 Cb 0.43 -0.18 -0.01 0.00 1.12 0.00 0.00 29.99 31.35 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 -1.74 -1.93 -1.99 -0.41 4.76 0.24 -4.91 118.16 112.18 3kgx n LYS 169 Ca 0.01 0.31 -0.33 0.00 -2.87 0.00 0.00 58.31 55.43 3kgx n LYS 169 Cb 0.39 -3.95 0.02 0.00 -1.84 0.00 0.00 35.03 29.65 3kgx n LYS 169 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3kgx s PRO 170 N -6.71 3.22 0.30 1.97 0.04 -1.26 -4.78 135.00 127.78 3kgx s PRO 170 Ca 0.19 1.25 0.23 0.00 0.04 0.00 0.00 61.00 62.71 3kgx s PRO 170 Cb -0.08 -2.02 0.26 0.00 0.04 0.00 0.00 34.50 32.70 3kgx s PRO 170 CO 0.92 -0.90 1.39 -0.39 0.04 0.00 0.00 177.00 178.06 3kgx h VAL 171 N 0.37 0.00 -2.84 -0.36 -1.51 -1.23 -3.38 116.25 107.30 3kgx h VAL 171 Ca -0.47 -0.90 -0.14 0.00 -1.23 0.00 0.00 66.70 63.96 3kgx h VAL 171 Cb 1.23 1.67 -0.26 0.00 -2.13 0.00 0.00 31.29 31.79 3kgx h VAL 171 CO 0.57 0.00 -0.33 -0.22 -1.23 0.00 0.00 177.57 176.35 3kgx s LEU 172 N -5.53 0.39 -0.11 4.19 2.96 -1.25 -1.24 118.68 118.08 3kgx s LEU 172 Ca 0.05 0.73 -0.00 0.00 -0.22 0.00 0.00 54.13 54.68 3kgx s LEU 172 Cb 0.08 1.17 -0.02 0.00 0.50 0.00 0.00 46.19 47.92 3kgx s LEU 172 CO 0.71 -0.15 -0.10 -0.22 -1.32 0.00 0.00 176.35 175.27 3kgx s LEU 173 N 0.74 2.90 -0.25 -0.68 2.96 0.10 -1.57 118.68 122.88 3kgx s LEU 173 Ca -0.04 -0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 53.56 3kgx s LEU 173 Cb -0.06 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 3kgx s LEU 173 CO -0.05 0.22 0.11 0.12 -1.32 0.00 0.00 176.35 175.43 3kgx s PHE 174 N 0.03 3.15 -0.07 5.38 5.36 -0.11 -1.18 117.98 130.54 3kgx s PHE 174 Ca -0.03 -0.18 0.03 0.00 -0.96 0.00 0.00 56.93 55.79 3kgx s PHE 174 Cb -0.14 -2.27 0.01 0.00 -0.34 0.00 0.00 43.02 40.28 3kgx s PHE 174 CO 0.04 -0.23 -0.15 -1.17 -1.46 0.00 0.00 175.22 172.25 3kgx s LEU 175 N 1.51 1.74 -0.23 6.12 2.96 -0.44 -1.21 118.68 129.14 3kgx s LEU 175 Ca 0.06 -0.35 -0.19 0.00 -0.22 0.00 0.00 54.13 53.44 3kgx s LEU 175 Cb -0.15 -0.94 -0.03 0.00 0.50 0.00 0.00 46.19 45.57 3kgx s LEU 175 CO 0.06 0.06 0.54 -0.69 -1.32 0.00 0.00 176.35 175.01 3kgx s VAL 176 N 0.56 5.06 -0.07 1.68 1.01 -1.26 -1.93 120.40 125.46 3kgx s VAL 176 Ca -0.15 0.97 -0.18 0.00 0.00 0.00 0.00 61.98 62.62 3kgx s VAL 176 Cb -0.16 -3.86 -0.14 0.00 0.00 0.00 0.00 36.38 32.22 3kgx s VAL 176 CO 0.05 0.11 0.72 -0.74 0.00 0.00 0.00 175.10 175.23 3kgx h HIS 177 N 7.75 -0.19 -3.42 5.22 2.76 -1.05 -3.40 115.15 122.82 3kgx h HIS 177 Ca -0.30 -0.00 -0.71 0.00 -2.20 0.00 0.00 60.37 57.15 3kgx h HIS 177 Cb 1.14 0.06 -0.30 0.00 1.55 0.00 0.00 27.41 29.86 3kgx h HIS 177 CO 0.73 0.22 -0.47 0.20 -1.30 0.00 0.00 177.93 177.31 3kgx s GLY 178 N -3.37 1.99 -0.85 5.26 0.00 -1.24 -0.82 107.32 108.28 3kgx s GLY 178 Ca -0.11 -2.35 -0.20 0.00 0.00 0.00 0.00 44.72 42.06 3kgx s GLY 178 CO 0.41 1.02 1.09 1.85 0.00 0.00 0.00 173.10 177.47 3kgx s GLU 179 N 1.33 3.45 0.42 2.90 -6.30 0.76 -4.45 118.70 116.81 3kgx s GLU 179 Ca 0.05 -1.45 0.29 0.00 -2.50 0.00 0.00 54.97 51.36 3kgx s GLU 179 Cb -0.24 -4.74 1.10 0.00 0.00 0.00 0.00 34.13 30.25 3kgx s GLU 179 CO -0.00 -1.81 1.84 0.66 0.02 0.00 0.00 175.26 175.97 3kgx h SER 180 N 9.11 0.00 0.89 -1.70 4.64 -1.95 0.24 113.55 124.79 3kgx h SER 180 Ca 0.03 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.16 3kgx h SER 180 Cb 1.04 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 3kgx h SER 180 CO 1.15 0.00 -0.89 0.77 -0.87 0.00 0.00 176.83 176.99 3kgx h SER 181 N 0.00 0.00 -0.00 4.97 4.64 -1.89 -3.38 113.55 117.90 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 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3kgx h SER 181 CO 0.00 0.89 -0.38 0.35 -0.87 0.00 0.00 176.83 176.81 3kgx n THR 182 N -3.48 0.00 -2.06 2.95 -2.24 -1.01 -4.45 114.28 103.98 3kgx n THR 182 Ca -0.00 -0.31 -0.06 0.00 -2.27 0.00 0.00 64.05 61.41 3kgx n THR 182 Cb 0.84 1.00 -0.00 0.00 -2.10 0.00 0.00 70.33 70.07 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 1.18 0.16 3.72 3.38 0.00 0.82 -4.63 105.19 109.82 3kgx n GLY 183 Ca 0.02 -0.65 -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 4.85 -0.19 1.61 1.01 -0.99 -0.89 120.40 123.52 3kgx s VAL 184 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 3kgx s VAL 184 Cb 0.00 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 3kgx s VAL 184 CO 0.00 0.55 -0.00 0.54 0.00 0.00 0.00 175.10 176.19 3kgx s VAL 185 N -0.40 4.04 -0.17 2.92 0.11 -0.07 -0.17 120.40 126.66 3kgx s VAL 185 Ca 0.09 -0.29 -0.19 0.00 -2.93 0.00 0.00 61.98 58.66 3kgx s VAL 185 Cb -0.12 -2.81 -0.03 0.00 -1.53 0.00 0.00 36.38 31.89 3kgx s VAL 185 CO 0.02 0.45 0.53 -1.58 -3.33 0.00 0.00 175.10 171.19 3kgx s GLN 186 N 0.76 4.25 0.35 1.54 2.00 -0.00 -4.71 119.66 123.85 3kgx s GLN 186 Ca 0.00 0.48 -0.29 0.00 -2.00 0.00 0.00 55.36 53.55 3kgx s GLN 186 Cb -0.14 -3.52 -0.11 0.00 0.80 0.00 0.00 33.01 30.04 3kgx s GLN 186 CO 0.02 -0.06 1.49 -2.14 -0.50 0.00 0.00 175.29 174.11 3kgx s PRO 187 N 1.32 4.14 -0.01 1.67 0.02 -1.26 -4.88 135.00 136.00 3kgx s PRO 187 Ca 0.26 2.54 0.12 0.00 0.02 0.00 0.00 61.00 63.94 3kgx s PRO 187 Cb -0.15 -2.99 -0.18 0.00 0.02 0.00 0.00 34.50 31.19 3kgx s PRO 187 CO 0.10 -0.52 0.34 1.28 -0.33 0.00 0.00 177.00 177.87 3kgx n LEU 188 N 0.94 0.15 -4.73 -5.54 4.77 -1.26 -4.95 117.00 106.37 3kgx n LEU 188 Ca 0.03 -0.13 -0.42 0.00 -0.03 0.00 0.00 56.01 55.46 3kgx n LEU 188 Cb 0.39 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 3kgx n LEU 188 CO 0.63 0.04 1.24 -1.81 -1.33 0.00 0.00 177.39 176.16 3kgx s ASP 189 N -3.11 6.50 0.00 -1.43 1.01 -1.26 -2.99 116.67 115.39 3kgx s ASP 189 Ca -0.02 2.76 0.00 0.00 0.71 0.00 0.00 52.55 56.00 3kgx s ASP 189 Cb 0.08 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3kgx s ASP 189 CO 0.51 -0.85 0.00 0.61 0.21 0.00 0.00 175.17 175.65 3kgx n GLY 190 N 3.09 2.93 0.31 0.21 0.00 -1.26 -4.91 105.19 105.56 3kgx n GLY 190 Ca 0.11 0.00 -0.09 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 1.15 -0.23 1.61 -1.00 -1.81 -1.93 116.94 114.74 3kgx h PHE 191 Ca 0.00 -0.18 -0.01 0.00 2.81 0.00 0.00 57.97 60.59 3kgx h PHE 191 Cb 0.00 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.24 3kgx h PHE 191 CO 0.00 0.99 0.09 0.78 -1.61 0.00 0.00 178.31 178.56 3kgx h GLY 192 N 0.98 0.36 1.73 -1.45 0.00 -1.78 -1.06 103.07 101.87 3kgx h GLY 192 Ca 0.19 -0.20 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 3kgx h GLY 192 CO 0.02 0.19 -0.50 0.83 0.00 0.00 0.00 176.54 177.08 3kgx h GLU 193 N 0.21 0.29 -0.28 4.80 4.39 -1.77 -0.93 114.58 121.29 3kgx h GLU 193 Ca 0.08 -0.16 0.03 0.00 0.34 0.00 0.00 59.36 59.64 3kgx h GLU 193 Cb 0.18 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3kgx h GLU 193 CO -0.01 0.72 0.10 1.25 -1.16 0.00 0.00 179.01 179.92 3kgx h LEU 194 N 0.23 0.12 -0.55 1.33 5.85 -1.14 -2.20 115.31 118.95 3kgx h LEU 194 Ca 0.01 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3kgx h LEU 194 Cb 0.96 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 3kgx h LEU 194 CO 0.08 0.10 0.31 0.00 -0.34 0.00 0.00 178.44 178.60 3kgx h HIS 196 N 0.61 0.63 0.00 0.00 3.86 -0.79 -0.32 115.15 119.15 3kgx h HIS 196 Ca 0.23 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 3kgx h HIS 196 Cb 0.07 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.33 3kgx h HIS 196 CO -0.07 0.39 -0.04 0.00 0.86 0.00 0.00 177.93 179.07 3kgx h ARG 197 N 0.68 0.00 -0.53 2.45 3.08 -1.16 -1.11 114.38 117.79 3kgx h ARG 197 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3kgx h ARG 197 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3kgx h ARG 197 CO -0.04 0.04 0.00 0.66 -1.07 0.00 0.00 179.97 179.56 3kgx n TYR 198 N -3.66 1.69 -3.70 3.04 4.02 -0.23 -4.96 117.16 113.36 3kgx n TYR 198 Ca -0.02 -0.73 -0.28 0.00 -0.01 0.00 0.00 57.90 56.86 3kgx n TYR 198 Cb 0.14 -0.40 0.02 0.00 -0.02 0.00 0.00 39.34 39.08 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 0.51 -4.88 -5.25 -0.72 6.02 -0.42 -4.85 117.38 107.80 3kgx n GLN 199 Ca 0.26 0.59 -0.31 0.00 -0.01 0.00 0.00 57.00 57.53 3kgx n GLN 199 Cb 1.05 -5.44 -0.16 0.00 1.02 0.00 0.00 30.24 26.72 3kgx n GLN 199 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kgx s LEU 201 N -0.45 3.91 -0.23 0.00 1.43 -0.37 -3.26 118.68 119.70 3kgx s LEU 201 Ca 0.05 1.21 -0.04 0.00 -1.03 0.00 0.00 54.13 54.32 3kgx s LEU 201 Cb -0.11 -4.06 -0.00 0.00 0.03 0.00 0.00 46.19 42.04 3kgx s LEU 201 CO 0.01 -0.33 -0.03 -0.22 0.23 0.00 0.00 176.35 176.01 3kgx s LEU 202 N -3.52 3.04 -0.20 1.79 2.96 -1.26 -0.72 118.68 120.78 3kgx s LEU 202 Ca 0.53 -0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 53.92 3kgx s LEU 202 Cb -0.10 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 3kgx s LEU 202 CO 0.26 -0.05 -0.00 -0.22 -1.32 0.00 0.00 176.35 175.02 3kgx s LEU 203 N 1.47 3.27 -0.07 -0.68 2.96 -0.33 -1.04 118.68 124.26 3kgx s LEU 203 Ca 0.05 -0.19 0.04 0.00 -0.22 0.00 0.00 54.13 53.81 3kgx s LEU 203 Cb -0.15 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 3kgx s LEU 203 CO -0.03 0.08 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.20 3kgx s VAL 204 N 0.93 2.59 -0.37 1.68 1.01 -0.22 -1.32 120.40 124.70 3kgx s VAL 204 Ca 0.01 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 60.95 3kgx s VAL 204 Cb -0.14 -2.00 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 3kgx s VAL 204 CO 0.02 0.57 0.43 -0.62 0.00 0.00 0.00 175.10 175.50 3kgx s ASP 205 N -0.23 6.23 -0.21 3.32 -1.08 -0.81 -2.23 116.67 121.65 3kgx s ASP 205 Ca -0.00 -0.28 0.12 0.00 -0.52 0.00 0.00 52.55 51.86 3kgx s ASP 205 Cb -0.13 -2.23 0.43 0.00 -1.46 0.00 0.00 42.92 39.53 3kgx s ASP 205 CO 0.03 -0.45 1.21 -1.54 0.52 0.00 0.00 175.17 174.95 3kgx n SER 206 N 5.56 2.06 -0.12 -0.34 3.41 -0.27 -0.38 113.62 123.54 3kgx n SER 206 Ca -0.07 -3.76 -0.05 0.00 -0.26 0.00 0.00 58.87 54.73 3kgx n SER 206 Cb 0.49 -0.49 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 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 1.55 0.81 -0.01 -3.33 2.07 -1.88 -0.61 116.25 114.84 3kgx h VAL 207 Ca 0.03 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3kgx h VAL 207 Cb 1.12 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3kgx h VAL 207 CO 0.10 0.04 -0.33 0.00 0.02 0.00 0.00 177.57 177.40 3kgx n ALA 208 N -2.43 3.24 -0.02 1.67 0.00 -1.26 -4.43 120.51 117.28 3kgx n ALA 208 Ca 0.03 -0.43 -0.03 0.00 0.00 0.00 0.00 53.44 53.02 3kgx n ALA 208 Cb 0.18 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.73 3.77 -4.63 0.00 3.41 -1.08 -4.75 113.62 109.61 3kgx n SER 209 Ca 0.11 -0.01 -0.49 0.00 -0.26 0.00 0.00 58.87 58.22 3kgx n SER 209 Cb 0.36 0.39 -0.05 0.00 -0.26 0.00 0.00 64.21 64.64 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 -2.33 2.33 0.00 1.04 7.94 -0.26 -1.16 117.00 124.56 3kgx n LEU 210 Ca -0.08 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.92 3kgx n LEU 210 Cb 0.64 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.28 3kgx n LEU 210 CO 0.08 -0.71 0.00 0.61 -1.11 0.00 0.00 177.39 176.26 3kgx n GLY 211 N 2.83 2.81 0.00 -3.96 0.00 -1.26 -4.50 105.19 101.11 3kgx n GLY 211 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.00 -0.31 2.96 -0.02 0.00 -0.31 -4.29 105.19 101.22 3kgx n GLY 212 Ca 0.00 -0.22 -0.17 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 -2.49 0.49 0.14 1.61 1.01 -0.69 -4.67 120.40 115.80 3kgx s VAL 213 Ca -0.02 -0.25 -0.33 0.00 0.00 0.00 0.00 61.98 61.38 3kgx s VAL 213 Cb 0.06 -0.43 -0.13 0.00 0.00 0.00 0.00 36.38 35.88 3kgx s VAL 213 CO 0.37 0.15 1.65 -2.65 0.00 0.00 0.00 175.10 174.62 3kgx n PRO 214 N 3.07 2.29 -3.82 2.72 -0.02 -1.26 -4.75 135.00 133.22 3kgx n PRO 214 Ca -0.15 0.83 -0.13 0.00 -2.02 0.00 0.00 63.50 62.04 3kgx n PRO 214 Cb 0.57 -2.63 -0.13 0.00 -0.02 0.00 0.00 33.50 31.29 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 1.45 -0.01 -0.41 4.25 1.01 -1.26 -5.02 121.20 121.21 3kgx s ILE 215 Ca 0.80 0.03 0.02 0.00 0.00 0.00 0.00 60.65 61.49 3kgx s ILE 215 Cb -0.64 -0.16 0.14 0.00 0.01 0.00 0.00 42.46 41.81 3kgx s ILE 215 CO 0.39 0.01 0.25 -0.31 0.00 0.00 0.00 174.94 175.28 3kgx s TYR 216 N 0.22 1.42 0.13 3.97 1.51 -1.26 -4.68 117.35 118.66 3kgx s TYR 216 Ca -0.01 -2.11 -0.26 0.00 -1.01 0.00 0.00 57.07 53.67 3kgx s TYR 216 Cb -0.02 -1.41 -0.05 0.00 -0.11 0.00 0.00 41.96 40.37 3kgx s TYR 216 CO -0.01 -0.80 1.62 1.98 -1.11 0.00 0.00 175.55 177.24 3kgx h MET 217 N 6.68 -0.41 -0.16 -0.62 4.05 -1.24 0.13 114.93 123.36 3kgx h MET 217 Ca 0.06 0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.45 3kgx h MET 217 Cb 0.94 0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.83 3kgx h MET 217 CO 0.39 -0.27 -0.12 -0.44 0.23 0.00 0.00 176.91 176.69 3kgx h ASP 218 N -0.43 0.39 -0.04 1.39 3.32 -1.76 -1.91 116.42 117.38 3kgx h ASP 218 Ca 0.07 -0.45 -0.04 0.00 0.02 0.00 0.00 57.03 56.63 3kgx h ASP 218 Cb 0.52 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3kgx h ASP 218 CO -0.27 0.76 -0.06 1.56 -1.72 0.00 0.00 179.24 179.51 3kgx h GLN 219 N 0.02 0.25 -0.10 3.56 4.20 -1.75 -1.91 115.11 119.38 3kgx h GLN 219 Ca 0.03 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3kgx h GLN 219 Cb 0.63 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.37 3kgx h GLN 219 CO 0.03 0.32 0.00 1.04 -0.67 0.00 0.00 178.83 179.55 3kgx n GLN 220 N -4.34 1.57 -1.48 1.46 6.02 0.43 -4.94 117.38 116.11 3kgx n GLN 220 Ca -0.00 -0.86 -0.09 0.00 -0.01 0.00 0.00 57.00 56.04 3kgx n GLN 220 Cb 0.21 -1.40 -0.03 0.00 1.02 0.00 0.00 30.24 30.04 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 1.08 0.78 3.71 1.08 0.00 -0.72 -3.79 105.19 107.33 3kgx n GLY 221 Ca 0.17 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.35 4.77 -0.17 -0.61 1.01 -0.73 -4.45 121.20 118.68 3kgx s ILE 222 Ca 0.00 2.01 0.05 0.00 0.00 0.00 0.00 60.65 62.71 3kgx s ILE 222 Cb 0.00 -4.29 -0.23 0.00 0.01 0.00 0.00 42.46 37.96 3kgx s ILE 222 CO 0.00 0.17 0.18 0.47 0.00 0.00 0.00 174.94 175.75 3kgx n ASP 223 N 3.82 1.35 -3.90 3.58 8.00 -0.21 -4.60 116.55 124.59 3kgx n ASP 223 Ca 0.06 0.10 -0.14 0.00 0.71 0.00 0.00 54.79 55.52 3kgx n ASP 223 Cb 0.50 -0.15 -0.14 0.00 -0.02 0.00 0.00 41.12 41.31 3kgx n ASP 223 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kgx s ILE 224 N -2.54 0.18 -0.09 0.53 1.09 -0.64 -1.18 121.20 118.56 3kgx s ILE 224 Ca -0.20 -0.08 -0.12 0.00 -1.10 0.00 0.00 60.65 59.15 3kgx s ILE 224 Cb 0.07 -0.17 0.03 0.00 -1.06 0.00 0.00 42.46 41.33 3kgx s ILE 224 CO 0.74 0.06 0.31 -0.32 -0.10 0.00 0.00 174.94 175.63 3kgx s MET 225 N 0.04 0.44 0.12 2.79 1.75 -0.74 -1.05 119.30 122.65 3kgx s MET 225 Ca -0.00 0.25 0.03 0.00 -1.25 0.00 0.00 55.69 54.72 3kgx s MET 225 Cb -0.02 0.21 -0.04 0.00 2.84 0.00 0.00 34.83 37.82 3kgx s MET 225 CO -0.00 -0.08 -0.09 1.52 -0.65 0.00 0.00 175.02 175.72 3kgx s TYR 226 N -0.26 1.09 0.23 4.11 -0.85 -0.95 -1.49 117.35 119.23 3kgx s TYR 226 Ca -0.04 -0.81 -0.02 0.00 -0.52 0.00 0.00 57.07 55.68 3kgx s TYR 226 Cb -0.03 -0.58 0.01 0.00 0.38 0.00 0.00 41.96 41.74 3kgx s TYR 226 CO 0.01 -0.02 0.35 0.45 -1.52 0.00 0.00 175.55 174.82 3kgx n SER 227 N -0.05 -0.97 -4.19 -0.18 2.88 -0.15 -1.11 113.62 109.84 3kgx n SER 227 Ca -0.12 -2.20 -0.17 0.00 -1.33 0.00 0.00 58.87 55.05 3kgx n SER 227 Cb 0.60 1.77 -0.10 0.00 -0.75 0.00 0.00 64.21 65.74 3kgx n SER 227 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3kgx s SER 228 N -2.40 1.21 0.38 -3.46 0.15 -1.26 -0.72 113.70 107.60 3kgx s SER 228 Ca 0.18 -1.45 0.22 0.00 0.70 0.00 0.00 55.95 55.60 3kgx s SER 228 Cb -0.01 0.27 0.25 0.00 -1.71 0.00 0.00 66.02 64.81 3kgx s SER 228 CO 0.13 -0.80 1.51 0.77 1.20 0.00 0.00 173.24 176.04 3kgx h SER 229 N 2.35 0.00 -0.36 5.45 4.64 -1.63 -3.40 113.55 120.59 3kgx h SER 229 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3kgx h SER 229 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3kgx h SER 229 CO 0.57 0.09 0.00 0.00 -0.87 0.00 0.00 176.83 176.62 3kgx n GLN 230 N -3.07 2.49 0.00 4.77 0.00 -1.25 -1.04 117.38 119.28 3kgx n GLN 230 Ca 0.03 -2.25 0.00 0.00 0.00 0.00 0.00 57.00 54.78 3kgx n GLN 230 Cb 0.57 -1.51 0.00 0.00 0.00 0.00 0.00 30.24 29.30 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 1.47 0.00 -0.05 2.61 4.76 -1.26 -1.93 118.16 123.75 3kgx n LYS 231 Ca 0.19 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.70 3kgx n LYS 231 Cb 0.60 0.00 0.44 0.00 -1.84 0.00 0.00 35.03 34.23 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 -1.84 -2.78 116.25 114.55 3kgx h VAL 232 Ca 0.00 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3kgx h VAL 232 Cb 0.00 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3kgx h VAL 232 CO 0.00 0.10 -0.05 -0.07 0.02 0.00 0.00 177.57 177.57 3kgx h LEU 233 N 0.55 0.00 0.23 2.57 4.07 -1.83 -3.30 115.31 117.59 3kgx h LEU 233 Ca 0.21 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.83 3kgx h LEU 233 Cb 0.17 0.00 0.08 0.00 1.08 0.00 0.00 40.66 41.98 3kgx h LEU 233 CO -0.06 0.05 -0.54 0.59 -1.08 0.00 0.00 178.44 177.41 3kgx n ASN 234 N -3.35 -5.59 -4.76 -0.43 5.03 -1.05 -4.73 115.26 100.38 3kgx n ASN 234 Ca -0.02 -0.32 -0.23 0.00 0.87 0.00 0.00 54.58 54.89 3kgx n ASN 234 Cb 0.20 -4.35 -0.06 0.00 -1.02 0.00 0.00 39.78 34.56 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 -3.15 3.58 0.65 5.41 0.00 -0.21 -3.65 121.76 124.39 3kgx s ALA 235 Ca 0.34 -1.80 -0.17 0.00 0.00 0.00 0.00 51.96 50.33 3kgx s ALA 235 Cb -0.15 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 3kgx s ALA 235 CO 0.42 0.02 1.21 -2.14 0.00 0.00 0.00 175.76 175.27 3kgx s PRO 236 N -3.88 2.65 0.73 0.00 0.02 -1.26 -3.83 135.00 129.42 3kgx s PRO 236 Ca 0.39 1.80 -0.14 0.00 0.02 0.00 0.00 61.00 63.07 3kgx s PRO 236 Cb -0.03 -1.89 0.04 0.00 0.02 0.00 0.00 34.50 32.64 3kgx s PRO 236 CO 0.23 -1.45 1.14 -2.14 -0.33 0.00 0.00 177.00 174.45 3kgx s PRO 237 N -3.58 2.32 0.00 5.54 0.02 -1.26 -4.45 135.00 133.58 3kgx s PRO 237 Ca 0.76 1.48 0.00 0.00 0.02 0.00 0.00 61.00 63.26 3kgx s PRO 237 Cb -0.30 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.34 3kgx s PRO 237 CO 0.38 -1.64 0.00 0.41 -0.33 0.00 0.00 177.00 175.82 3kgx n GLY 238 N -0.29 1.10 3.05 0.52 0.00 -1.26 -4.98 105.19 103.33 3kgx n GLY 238 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.58 0.66 0.25 -0.61 -4.36 -1.17 -0.92 121.20 113.47 3kgx s ILE 239 Ca 0.00 -0.75 0.11 0.00 -0.26 0.00 0.00 60.65 59.75 3kgx s ILE 239 Cb 0.00 -0.63 -0.05 0.00 1.25 0.00 0.00 42.46 43.03 3kgx s ILE 239 CO 0.00 -0.09 -0.17 -0.44 0.24 0.00 0.00 174.94 174.48 3kgx s SER 240 N -0.94 3.77 -0.10 4.36 0.01 0.19 -1.73 113.70 119.25 3kgx s SER 240 Ca -0.02 -0.89 0.02 0.00 1.31 0.00 0.00 55.95 56.36 3kgx s SER 240 Cb -0.07 -0.41 -0.01 0.00 0.21 0.00 0.00 66.02 65.74 3kgx s SER 240 CO 0.00 0.06 -0.16 -0.76 0.41 0.00 0.00 173.24 172.79 3kgx s LEU 241 N -3.29 2.56 -0.03 2.44 1.02 0.11 -1.26 118.68 120.22 3kgx s LEU 241 Ca 0.28 -0.35 -0.07 0.00 0.02 0.00 0.00 54.13 54.00 3kgx s LEU 241 Cb -0.06 -1.54 0.01 0.00 0.02 0.00 0.00 46.19 44.62 3kgx s LEU 241 CO 0.15 0.21 0.17 -0.51 0.02 0.00 0.00 176.35 176.39 3kgx s ILE 242 N 0.06 0.04 -0.01 -0.59 2.07 -0.21 -0.98 121.20 121.58 3kgx s ILE 242 Ca -0.06 -0.37 -0.00 0.00 -1.41 0.00 0.00 60.65 58.80 3kgx s ILE 242 Cb -0.15 -0.37 0.02 0.00 0.13 0.00 0.00 42.46 42.09 3kgx s ILE 242 CO 0.05 -0.20 0.02 -0.55 -1.91 0.00 0.00 174.94 172.35 3kgx s SER 243 N -0.72 0.03 -0.08 4.50 0.15 -0.55 -0.86 113.70 116.17 3kgx s SER 243 Ca -0.08 0.03 0.03 0.00 0.70 0.00 0.00 55.95 56.64 3kgx s SER 243 Cb -0.05 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 3kgx s SER 243 CO 0.01 -0.08 -0.19 -0.36 1.20 0.00 0.00 173.24 173.83 3kgx s PHE 244 N 0.62 2.06 0.92 3.44 0.40 -0.27 -1.79 117.98 123.36 3kgx s PHE 244 Ca -0.05 -0.79 -0.14 0.00 -0.60 0.00 0.00 56.93 55.35 3kgx s PHE 244 Cb -0.07 -1.41 0.17 0.00 0.51 0.00 0.00 43.02 42.22 3kgx s PHE 244 CO -0.02 -0.33 1.27 0.54 0.70 0.00 0.00 175.22 177.39 3kgx s ASN 245 N 0.41 3.49 0.39 1.36 2.20 -0.32 -4.22 114.94 118.25 3kgx s ASN 245 Ca -0.15 0.36 0.12 0.00 -0.94 0.00 0.00 52.86 52.25 3kgx s ASN 245 Cb -0.16 -0.52 0.81 0.00 -2.00 0.00 0.00 41.25 39.37 3kgx s ASN 245 CO 0.06 -2.50 1.88 0.44 -2.94 0.00 0.00 177.10 174.04 3kgx h ASP 246 N -1.46 0.04 -0.62 3.54 3.32 -1.99 -1.15 116.42 118.11 3kgx h ASP 246 Ca -0.44 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 3kgx h ASP 246 Cb 1.26 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.77 3kgx h ASP 246 CO 0.45 0.33 0.35 0.50 -1.72 0.00 0.00 179.24 179.14 3kgx h LYS 247 N 0.04 0.85 -0.33 3.56 3.64 -1.94 0.42 116.57 122.81 3kgx h LYS 247 Ca 0.00 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.20 3kgx h LYS 247 Cb 0.52 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3kgx h LYS 247 CO 0.04 0.64 -0.15 0.00 -2.27 0.00 0.00 179.45 177.71 3kgx h ALA 248 N 1.17 0.47 -0.93 5.00 0.00 -1.75 -2.63 119.26 120.59 3kgx h ALA 248 Ca 0.22 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3kgx h ALA 248 Cb 0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3kgx h ALA 248 CO -0.04 0.37 0.61 -0.22 0.00 0.00 0.00 179.25 179.98 3kgx h LYS 249 N 0.46 1.21 -0.65 0.00 3.64 -0.99 -2.24 116.57 118.00 3kgx h LYS 249 Ca 0.08 -0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3kgx h LYS 249 Cb 0.67 -0.27 -0.06 0.00 -0.41 0.00 0.00 32.23 32.16 3kgx h LYS 249 CO 0.05 0.80 0.34 -0.92 -2.27 0.00 0.00 179.45 177.45 3kgx h TYR 250 N 1.25 0.62 -0.32 1.91 3.20 -0.79 0.10 116.97 122.94 3kgx h TYR 250 Ca 0.35 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.27 3kgx h TYR 250 Cb -0.12 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 37.94 3kgx h TYR 250 CO -0.01 0.28 0.15 -0.22 -1.64 0.00 0.00 178.16 176.72 3kgx h LYS 251 N 0.62 0.31 -0.32 1.82 1.63 -1.05 -0.88 116.57 118.71 3kgx h LYS 251 Ca 0.30 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.07 3kgx h LYS 251 Cb 0.23 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 3kgx h LYS 251 CO -0.20 0.20 0.14 0.28 -3.45 0.00 0.00 179.45 176.42 3kgx h VAL 252 N 0.32 1.17 0.00 2.00 2.07 -0.86 -2.59 116.25 118.36 3kgx h VAL 252 Ca 0.14 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3kgx h VAL 252 Cb 0.06 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3kgx h VAL 252 CO -0.11 0.17 0.00 1.88 0.02 0.00 0.00 177.57 179.54 3kgx h TYR 253 N 0.37 0.00 -0.00 1.57 -1.99 -0.66 -2.51 116.97 113.76 3kgx h TYR 253 Ca 0.11 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.84 3kgx h TYR 253 Cb 0.14 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.87 3kgx h TYR 253 CO -0.01 0.00 -0.03 0.43 -0.00 0.00 0.00 178.16 178.55 3kgx n SER 254 N -2.77 0.16 -4.76 3.88 7.64 -0.35 -4.96 113.62 112.46 3kgx n SER 254 Ca 0.01 -0.46 -0.39 0.00 1.01 0.00 0.00 58.87 59.04 3kgx n SER 254 Cb 0.24 -0.16 0.02 0.00 -1.01 0.00 0.00 64.21 63.30 3kgx n SER 254 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3kgx s ARG 255 N -2.42 3.60 0.19 1.43 0.52 -0.95 -4.94 118.95 116.38 3kgx s ARG 255 Ca 0.33 2.22 0.03 0.00 -0.52 0.00 0.00 55.73 57.78 3kgx s ARG 255 Cb 0.21 -2.53 0.10 0.00 0.52 0.00 0.00 34.95 33.24 3kgx s ARG 255 CO 0.44 -0.82 1.45 0.87 0.02 0.00 0.00 175.30 177.27 3kgx h LYS 256 N 2.11 0.23 -5.40 3.54 1.57 -1.93 -3.46 116.57 113.24 3kgx h LYS 256 Ca -0.50 -0.21 -0.41 0.00 -1.87 0.00 0.00 60.65 57.66 3kgx h LYS 256 Cb 1.27 0.05 -0.17 0.00 0.08 0.00 0.00 32.23 33.46 3kgx h LYS 256 CO 0.60 0.89 -0.75 0.95 -0.57 0.00 0.00 179.45 180.57 3kgx s THR 257 N -3.46 1.39 0.47 -0.16 -4.23 -1.26 -5.14 115.64 103.25 3kgx s THR 257 Ca -0.04 -1.87 -0.23 0.00 -1.18 0.00 0.00 61.69 58.37 3kgx s THR 257 Cb 0.11 -1.69 -0.07 0.00 1.34 0.00 0.00 72.50 72.19 3kgx s THR 257 CO 0.82 -0.50 1.23 -0.54 -0.54 0.00 0.00 174.62 175.08 3kgx s LYS 258 N -3.03 3.65 0.53 3.99 1.02 -1.26 -4.99 119.74 119.65 3kgx s LYS 258 Ca 0.13 1.93 -0.21 0.00 0.02 0.00 0.00 55.97 57.84 3kgx s LYS 258 Cb -0.03 -2.42 -0.08 0.00 -0.52 0.00 0.00 37.83 34.78 3kgx s LYS 258 CO 0.03 -0.68 0.91 -2.30 -0.92 0.00 0.00 175.35 172.39 3kgx n PRO 259 N -0.52 1.01 0.26 -1.68 -0.02 -1.26 -4.89 135.00 127.90 3kgx n PRO 259 Ca 0.07 0.38 0.10 0.00 -2.02 0.00 0.00 63.50 62.03 3kgx n PRO 259 Cb 0.47 -2.05 0.69 0.00 -0.02 0.00 0.00 33.50 32.58 3kgx n PRO 259 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3kgx h VAL 260 N 0.85 0.84 -3.64 -1.45 -1.51 -1.94 -3.40 116.25 106.00 3kgx h VAL 260 Ca -0.47 -0.27 -0.63 0.00 -1.23 0.00 0.00 66.70 64.10 3kgx h VAL 260 Cb 1.36 1.15 -0.18 0.00 -2.13 0.00 0.00 31.29 31.49 3kgx h VAL 260 CO 0.52 0.07 -0.56 -0.55 -1.23 0.00 0.00 177.57 175.82 3kgx s SER 261 N -6.66 5.67 0.05 4.19 0.15 -1.26 -4.99 113.70 110.84 3kgx s SER 261 Ca -0.04 -0.03 -0.20 0.00 0.70 0.00 0.00 55.95 56.37 3kgx s SER 261 Cb 0.16 -2.02 -0.14 0.00 -1.71 0.00 0.00 66.02 62.31 3kgx s SER 261 CO 0.63 0.02 1.36 0.15 1.20 0.00 0.00 173.24 176.60 3kgx h PHE 262 N 7.83 0.45 0.00 3.44 3.04 -1.97 -2.92 116.94 126.81 3kgx h PHE 262 Ca -0.37 -0.13 -0.04 0.00 3.98 0.00 0.00 57.97 61.41 3kgx h PHE 262 Cb 1.18 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.59 3kgx h PHE 262 CO 0.67 0.75 -0.18 1.88 -2.02 0.00 0.00 178.31 179.42 3kgx h TYR 263 N 0.02 0.00 -0.31 0.41 0.05 -1.97 -2.67 116.97 112.50 3kgx h TYR 263 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3kgx h TYR 263 Cb 0.66 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.40 3kgx h TYR 263 CO 0.08 0.18 0.00 0.25 -1.05 0.00 0.00 178.16 177.62 3kgx n THR 264 N -3.49 0.75 -1.79 -2.88 -2.24 -1.26 -4.76 114.28 98.61 3kgx n THR 264 Ca -0.01 -0.87 -0.42 0.00 -2.27 0.00 0.00 64.05 60.48 3kgx n THR 264 Cb 0.34 0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 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 -1.02 6.50 0.57 3.42 -1.08 -1.01 -4.87 116.67 119.18 3kgx s ASP 265 Ca 0.24 2.63 0.32 0.00 -0.52 0.00 0.00 52.55 55.23 3kgx s ASP 265 Cb 0.13 -2.56 1.73 0.00 -1.46 0.00 0.00 42.92 40.76 3kgx s ASP 265 CO 0.18 -0.97 2.16 -0.29 0.52 0.00 0.00 175.17 176.77 3kgx h ILE 266 N 4.89 0.36 -0.80 4.11 6.09 -1.91 -0.01 117.51 130.24 3kgx h ILE 266 Ca -0.45 -0.32 0.00 0.00 -1.37 0.00 0.00 64.86 62.72 3kgx h ILE 266 Cb 1.21 1.23 -0.04 0.00 0.47 0.00 0.00 36.82 39.69 3kgx h ILE 266 CO 0.94 0.06 0.51 0.74 -3.07 0.00 0.00 178.15 177.33 3kgx h THR 267 N 0.00 1.21 0.01 2.19 2.02 -1.95 -0.61 112.91 115.78 3kgx h THR 267 Ca -0.00 -0.42 -0.08 0.00 0.77 0.00 0.00 66.41 66.68 3kgx h THR 267 Cb 0.22 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 3kgx h THR 267 CO 0.01 0.21 -0.46 0.22 0.37 0.00 0.00 175.52 175.87 3kgx h TYR 268 N 1.09 0.02 -1.00 3.16 3.20 -1.36 -3.33 116.97 118.76 3kgx h TYR 268 Ca 0.29 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.20 3kgx h TYR 268 Cb -0.09 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.11 3kgx h TYR 268 CO 0.00 1.18 0.65 -0.07 -1.64 0.00 0.00 178.16 178.28 3kgx h LEU 269 N -0.97 1.06 -0.76 2.82 3.38 -1.20 -2.20 115.31 117.43 3kgx h LEU 269 Ca -0.12 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3kgx h LEU 269 Cb 1.13 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 3kgx h LEU 269 CO -0.06 0.70 0.43 0.00 0.09 0.00 0.00 178.44 179.60 3kgx h ALA 270 N 1.44 0.98 0.22 1.53 0.00 -1.27 -1.56 119.26 120.60 3kgx h ALA 270 Ca 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3kgx h ALA 270 Cb 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3kgx h ALA 270 CO -0.15 0.48 -0.11 0.87 0.00 0.00 0.00 179.25 180.35 3kgx h LYS 271 N 1.05 -0.28 -0.80 0.00 1.57 -1.60 -0.14 116.57 116.38 3kgx h LYS 271 Ca 0.27 0.02 0.16 0.00 -1.87 0.00 0.00 60.65 59.23 3kgx h LYS 271 Cb 0.02 0.06 -0.10 0.00 0.08 0.00 0.00 32.23 32.29 3kgx h LYS 271 CO -0.04 -0.06 0.33 1.25 -0.57 0.00 0.00 179.45 180.36 3kgx h LEU 272 N -0.47 0.31 -1.33 2.94 5.85 -1.14 -1.88 115.31 119.59 3kgx h LEU 272 Ca -0.03 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3kgx h LEU 272 Cb 0.36 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3kgx h LEU 272 CO 0.05 0.09 0.00 0.79 -0.34 0.00 0.00 178.44 179.03 3kgx n TRP 273 N -5.00 0.44 -3.45 1.25 7.02 -0.61 -4.71 117.44 112.39 3kgx n TRP 273 Ca 0.16 -0.22 -0.24 0.00 -1.02 0.00 0.00 57.50 56.18 3kgx n TRP 273 Cb 0.46 0.00 0.07 0.00 -2.42 0.00 0.00 31.31 29.42 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 1.10 -0.54 0.17 6.99 0.00 -0.70 -4.93 105.19 107.28 3kgx n GLY 274 Ca 0.13 0.22 0.14 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.80 1.55 0.00 0.00 1.02 -1.26 -4.70 120.64 116.45 3kgx n GLU 276 Ca 0.14 -3.73 0.00 0.00 -0.02 0.00 0.00 57.16 53.55 3kgx n GLU 276 Cb 0.30 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 3kgx n GLU 276 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kgx n GLY 277 N 0.12 1.21 3.60 0.62 0.00 -1.26 -5.07 105.19 104.41 3kgx n GLY 277 Ca 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 3kgx n GLY 277 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kgx s VAL 281 N 0.00 0.00 0.00 1.61 1.01 -1.26 -4.80 120.40 116.96 3kgx s VAL 281 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3kgx s VAL 281 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 3kgx s VAL 281 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 175.10 177.40 3kgx n ILE 282 N 1.15 0.00 -3.81 2.22 -5.35 -1.25 -4.99 119.36 107.33 3kgx n ILE 282 Ca -0.10 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.04 3kgx n ILE 282 Cb 0.57 -1.20 -0.05 0.00 -1.74 0.00 0.00 39.64 37.22 3kgx n ILE 282 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 3kgx s HIS 283 N 0.71 3.57 -0.27 4.28 3.76 -1.26 -4.93 115.29 121.15 3kgx s HIS 283 Ca 0.00 0.50 -0.33 0.00 -0.15 0.00 0.00 55.06 55.08 3kgx s HIS 283 Cb 0.00 -1.94 0.17 0.00 1.11 0.00 0.00 32.58 31.92 3kgx s HIS 283 CO 0.00 0.63 1.34 -1.01 -0.85 0.00 0.00 174.74 174.85 3kgx s HIS 284 N -1.29 -0.05 -0.99 1.40 4.02 -1.26 -5.00 115.29 112.13 3kgx s HIS 284 Ca 0.27 0.06 -0.02 0.00 1.02 0.00 0.00 55.06 56.39 3kgx s HIS 284 Cb -0.13 0.50 0.30 0.00 -1.02 0.00 0.00 32.58 32.23 3kgx s HIS 284 CO 0.16 -0.06 1.41 2.41 1.02 0.00 0.00 174.74 179.69 3kgx n THR 285 N 0.27 4.95 -2.12 1.30 -1.04 -1.26 -4.83 114.28 111.55 3kgx n THR 285 Ca 0.02 -5.83 -0.37 0.00 -2.04 0.00 0.00 64.05 55.82 3kgx n THR 285 Cb 0.58 -1.96 0.01 0.00 -1.82 0.00 0.00 70.33 67.13 3kgx n THR 285 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3kgx s THR 286 N -3.08 2.83 -0.81 12.58 -4.23 -1.26 -4.89 115.64 116.77 3kgx s THR 286 Ca 0.34 0.58 -0.25 0.00 -1.18 0.00 0.00 61.69 61.19 3kgx s THR 286 Cb 0.10 -3.28 -0.04 0.00 1.34 0.00 0.00 72.50 70.62 3kgx s THR 286 CO 0.04 -0.05 1.90 -2.16 -0.54 0.00 0.00 174.62 173.82 3kgx s PRO 287 N -2.95 2.61 0.16 3.99 0.04 -1.26 -4.88 135.00 132.70 3kgx s PRO 287 Ca 0.69 -0.04 -0.28 0.00 0.04 0.00 0.00 61.00 61.41 3kgx s PRO 287 Cb -0.30 -4.85 -0.02 0.00 0.04 0.00 0.00 34.50 29.37 3kgx s PRO 287 CO 0.36 -3.13 1.56 0.28 0.04 0.00 0.00 177.00 176.10 3kgx h VAL 288 N 7.12 0.06 -0.48 -0.36 2.07 -1.96 -0.19 116.25 122.51 3kgx h VAL 288 Ca -0.01 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 3kgx h VAL 288 Cb 1.05 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3kgx h VAL 288 CO 1.22 0.00 0.04 0.71 0.02 0.00 0.00 177.57 179.56 3kgx h THR 289 N -0.28 1.23 -0.69 2.57 1.35 -1.95 -1.21 112.91 113.95 3kgx h THR 289 Ca 0.14 -0.93 -0.03 0.00 -0.55 0.00 0.00 66.41 65.04 3kgx h THR 289 Cb 0.57 0.83 -0.03 0.00 -1.73 0.00 0.00 68.15 67.78 3kgx h THR 289 CO -0.66 0.33 0.30 0.28 -0.25 0.00 0.00 175.52 175.52 3kgx h SER 290 N 0.73 0.90 -0.46 5.36 0.02 -1.79 -1.85 113.55 116.46 3kgx h SER 290 Ca 0.15 -0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 60.87 3kgx h SER 290 Cb 0.40 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3kgx h SER 290 CO 0.01 0.78 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.25 3kgx h LEU 291 N 0.98 0.97 -0.34 5.07 3.38 -0.17 -0.93 115.31 124.27 3kgx h LEU 291 Ca 0.24 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3kgx h LEU 291 Cb 0.14 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3kgx h LEU 291 CO -0.03 1.12 0.23 1.88 0.09 0.00 0.00 178.44 181.73 3kgx h TYR 292 N 0.84 0.43 -0.30 1.13 0.05 -0.93 0.03 116.97 118.21 3kgx h TYR 292 Ca 0.12 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.89 3kgx h TYR 292 Cb 0.73 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.31 3kgx h TYR 292 CO 0.05 0.28 0.10 0.00 -1.05 0.00 0.00 178.16 177.53 3kgx h LEU 294 N 0.34 0.83 -0.41 0.00 5.85 -1.04 -1.22 115.31 119.67 3kgx h LEU 294 Ca 0.10 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.86 3kgx h LEU 294 Cb 0.23 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 3kgx h LEU 294 CO -0.00 0.60 0.09 -0.09 -0.34 0.00 0.00 178.44 178.70 3kgx h ARG 295 N 0.99 0.22 -0.55 1.25 1.12 -0.75 -0.45 114.38 116.21 3kgx h ARG 295 Ca 0.27 -0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 59.05 3kgx h ARG 295 Cb -0.11 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 29.78 3kgx h ARG 295 CO -0.06 0.14 0.05 0.93 -3.11 0.00 0.00 179.97 177.92 3kgx h GLU 296 N 0.23 0.93 -0.43 0.20 4.39 -1.17 -1.27 114.58 117.47 3kgx h GLU 296 Ca 0.20 -0.27 0.03 0.00 0.34 0.00 0.00 59.36 59.66 3kgx h GLU 296 Cb 0.23 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 3kgx h GLU 296 CO -0.25 0.92 0.21 0.77 -1.16 0.00 0.00 179.01 179.50 3kgx h SER 297 N 0.82 0.31 -0.70 1.42 0.02 -0.77 -1.72 113.55 112.93 3kgx h SER 297 Ca 0.16 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 3kgx h SER 297 Cb 0.47 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 3kgx h SER 297 CO 0.02 0.22 0.17 -0.07 -1.14 0.00 0.00 176.83 176.02 3kgx h LEU 298 N 0.43 1.06 -0.89 5.07 3.38 -0.98 -2.86 115.31 120.52 3kgx h LEU 298 Ca 0.18 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3kgx h LEU 298 Cb 0.09 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3kgx h LEU 298 CO -0.13 1.02 0.57 0.00 0.09 0.00 0.00 178.44 179.99 3kgx h ALA 299 N 1.11 1.18 -0.67 1.53 0.00 -0.83 -0.68 119.26 120.89 3kgx h ALA 299 Ca 0.22 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3kgx h ALA 299 Cb 0.38 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3kgx h ALA 299 CO 0.00 0.40 0.20 -0.07 0.00 0.00 0.00 179.25 179.79 3kgx h LEU 300 N 1.09 0.99 -0.42 0.00 3.38 -1.15 -1.27 115.31 117.93 3kgx h LEU 300 Ca 0.36 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 3kgx h LEU 300 Cb 0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3kgx h LEU 300 CO -0.13 0.94 -0.19 0.40 0.09 0.00 0.00 178.44 179.55 3kgx h ILE 301 N 0.99 1.28 -0.70 1.22 2.04 -1.28 -1.97 117.51 119.07 3kgx h ILE 301 Ca 0.22 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 64.71 3kgx h ILE 301 Cb 0.31 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 3kgx h ILE 301 CO -0.00 0.45 0.33 0.00 0.00 0.00 0.00 178.15 178.92 3kgx h ALA 302 N 0.83 1.25 -0.07 1.87 0.00 -0.97 0.29 119.26 122.46 3kgx h ALA 302 Ca 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3kgx h ALA 302 Cb 0.75 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3kgx h ALA 302 CO 0.06 0.57 -0.02 1.49 0.00 0.00 0.00 179.25 181.35 3kgx h GLU 303 N 1.00 0.14 -0.49 0.00 4.81 -1.13 -3.18 114.58 115.72 3kgx h GLU 303 Ca 0.24 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.30 3kgx h GLU 303 Cb 0.12 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3kgx h GLU 303 CO -0.03 0.48 -0.17 1.96 -0.73 0.00 0.00 179.01 180.51 3kgx h GLN 304 N -0.21 0.98 0.00 1.92 4.20 -1.27 -3.50 115.11 117.23 3kgx h GLN 304 Ca 0.02 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.33 3kgx h GLN 304 Cb 0.43 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3kgx h GLN 304 CO 0.01 1.07 0.00 0.41 -0.67 0.00 0.00 178.83 179.65 3kgx n GLY 305 N -0.15 -0.52 0.30 3.46 0.00 0.10 -4.43 105.19 103.95 3kgx n GLY 305 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 0.73 -0.32 0.99 3.38 -1.89 -1.97 115.31 116.22 3kgx h LEU 306 Ca 0.00 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3kgx h LEU 306 Cb 0.00 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 3kgx h LEU 306 CO 0.00 0.46 -0.02 -0.33 0.09 0.00 0.00 178.44 178.64 3kgx h GLU 307 N 0.86 0.07 -0.46 1.13 4.39 -1.95 0.27 114.58 118.88 3kgx h GLU 307 Ca 0.35 -0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.98 3kgx h GLU 307 Cb 0.19 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 3kgx h GLU 307 CO -0.18 0.04 0.03 -0.91 -1.16 0.00 0.00 179.01 176.84 3kgx h ASN 308 N 0.07 0.70 -0.32 1.42 2.35 -1.70 -0.99 115.58 117.11 3kgx h ASN 308 Ca 0.16 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 3kgx h ASN 308 Cb 0.22 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3kgx h ASN 308 CO -0.28 0.75 0.03 0.00 -1.65 0.00 0.00 177.43 176.28 3kgx h TRP 310 N 0.35 1.21 -0.47 0.00 6.55 -0.74 -2.33 115.95 120.53 3kgx h TRP 310 Ca 0.09 -0.13 -0.04 0.00 0.95 0.00 0.00 58.89 59.77 3kgx h TRP 310 Cb 0.38 -0.35 -0.02 0.00 -0.86 0.00 0.00 29.16 28.32 3kgx h TRP 310 CO 0.03 0.96 0.16 -0.09 -1.05 0.00 0.00 178.44 178.45 3kgx h ARG 311 N 1.10 0.72 -0.59 0.49 2.43 -1.06 -1.88 114.38 115.59 3kgx h ARG 311 Ca 0.23 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3kgx h ARG 311 Cb 0.34 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 3kgx h ARG 311 CO -0.00 0.68 0.37 -0.09 -1.51 0.00 0.00 179.97 179.42 3kgx h ARG 312 N 0.62 0.71 -0.43 0.20 1.12 -0.98 0.63 114.38 116.26 3kgx h ARG 312 Ca 0.15 -0.04 -0.06 0.00 -1.11 0.00 0.00 59.98 58.92 3kgx h ARG 312 Cb 0.25 -0.16 -0.02 0.00 -0.01 0.00 0.00 29.97 30.04 3kgx h ARG 312 CO -0.01 0.47 0.03 0.45 -3.11 0.00 0.00 179.97 177.80 3kgx h HIS 313 N 0.73 0.79 -0.78 2.20 3.86 -1.36 -0.97 115.15 119.62 3kgx h HIS 313 Ca 0.24 -0.13 0.02 0.00 -1.16 0.00 0.00 60.37 59.33 3kgx h HIS 313 Cb -0.00 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.22 3kgx h HIS 313 CO -0.05 0.78 0.51 -0.09 0.86 0.00 0.00 177.93 179.94 3kgx h ARG 314 N 0.58 1.00 -0.18 2.45 1.12 -0.93 -1.21 114.38 117.20 3kgx h ARG 314 Ca 0.12 -0.06 -0.04 0.00 -1.11 0.00 0.00 59.98 58.90 3kgx h ARG 314 Cb 0.44 -0.23 -0.01 0.00 -0.01 0.00 0.00 29.97 30.17 3kgx h ARG 314 CO 0.02 0.66 -0.03 1.49 -3.11 0.00 0.00 179.97 179.00 3kgx h GLU 315 N 1.03 0.34 -0.49 0.20 4.81 -0.75 -1.07 114.58 118.64 3kgx h GLU 315 Ca 0.30 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3kgx h GLU 315 Cb -0.07 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3kgx h GLU 315 CO -0.08 0.59 0.31 0.00 -0.73 0.00 0.00 179.01 179.10 3kgx h ALA 316 N 0.74 0.63 -0.64 2.92 0.00 -1.09 -2.41 119.26 119.41 3kgx h ALA 316 Ca 0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3kgx h ALA 316 Cb 0.46 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3kgx h ALA 316 CO 0.02 0.03 0.20 1.15 0.00 0.00 0.00 179.25 180.64 3kgx h THR 317 N 0.63 1.25 -0.87 0.00 2.02 -1.13 -1.05 112.91 113.76 3kgx h THR 317 Ca 0.19 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 3kgx h THR 317 Cb -0.03 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 3kgx h THR 317 CO -0.07 0.33 0.49 0.00 0.37 0.00 0.00 175.52 176.65 3kgx h ALA 318 N 1.07 1.24 -0.35 6.16 0.00 -1.00 0.15 119.26 126.53 3kgx h ALA 318 Ca 0.20 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3kgx h ALA 318 Cb 0.30 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3kgx h ALA 318 CO -0.01 0.63 -0.17 1.25 0.00 0.00 0.00 179.25 180.95 3kgx h HIS 319 N 1.20 0.85 -0.26 0.00 6.17 -1.21 -1.52 115.15 120.38 3kgx h HIS 319 Ca 0.31 -0.21 -0.00 0.00 0.71 0.00 0.00 60.37 61.17 3kgx h HIS 319 Cb -0.00 -0.19 -0.01 0.00 2.52 0.00 0.00 27.41 29.72 3kgx h HIS 319 CO 0.01 0.94 0.16 1.25 0.71 0.00 0.00 177.93 181.00 3kgx h LEU 320 N 0.51 0.32 -1.50 0.26 5.85 -0.82 -2.44 115.31 117.49 3kgx h LEU 320 Ca 0.08 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3kgx h LEU 320 Cb 0.72 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3kgx h LEU 320 CO 0.05 0.27 0.08 0.45 -0.34 0.00 0.00 178.44 178.95 3kgx h HIS 321 N 0.34 0.41 -0.21 1.25 3.86 -0.60 -0.78 115.15 119.42 3kgx h HIS 321 Ca 0.10 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 3kgx h HIS 321 Cb 0.01 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 3kgx h HIS 321 CO -0.05 0.35 0.04 -0.22 0.86 0.00 0.00 177.93 178.91 3kgx h LYS 322 N 0.41 0.35 -0.74 2.45 1.63 -1.11 -1.87 116.57 117.68 3kgx h LYS 322 Ca 0.10 -0.09 -0.04 0.00 -0.85 0.00 0.00 60.65 59.77 3kgx h LYS 322 Cb 0.14 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 3kgx h LYS 322 CO -0.01 0.49 0.31 0.45 -3.45 0.00 0.00 179.45 177.24 3kgx h HIS 323 N 0.15 1.12 -0.26 1.91 3.86 -0.94 -0.91 115.15 120.07 3kgx h HIS 323 Ca 0.06 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 3kgx h HIS 323 Cb 0.31 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 3kgx h HIS 323 CO 0.02 0.86 0.14 -0.07 0.86 0.00 0.00 177.93 179.73 3kgx h LEU 324 N 1.07 0.34 -0.51 2.43 3.38 -1.11 -1.82 115.31 119.08 3kgx h LEU 324 Ca 0.25 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3kgx h LEU 324 Cb 0.20 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3kgx h LEU 324 CO -0.02 0.34 0.33 -0.61 0.09 0.00 0.00 178.44 178.57 3kgx h GLN 325 N 0.31 0.66 -0.38 1.13 5.75 -1.18 -1.85 115.11 119.55 3kgx h GLN 325 Ca 0.09 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 3kgx h GLN 325 Cb 0.09 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 3kgx h GLN 325 CO -0.01 0.44 0.19 0.93 -2.65 0.00 0.00 178.83 177.73 3kgx h GLU 326 N 0.68 0.52 0.00 1.69 5.08 -0.93 -1.67 114.58 119.95 3kgx h GLU 326 Ca 0.19 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3kgx h GLU 326 Cb -0.06 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.08 3kgx h GLU 326 CO -0.05 0.40 0.00 -1.33 -1.00 0.00 0.00 179.01 177.03 3kgx n MET 327 N -4.42 0.61 -1.04 2.33 2.81 -0.71 -4.93 117.12 111.76 3kgx n MET 327 Ca 0.03 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.90 3kgx n MET 327 Cb 0.11 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.11 3kgx n MET 327 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kgx n GLY 328 N 1.18 0.51 3.80 3.03 0.00 -0.63 -5.03 105.19 108.06 3kgx n GLY 328 Ca 0.17 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.32 4.27 0.16 0.99 1.43 -0.72 -5.02 118.68 119.46 3kgx s LEU 329 Ca 0.00 1.62 0.06 0.00 -1.03 0.00 0.00 54.13 54.78 3kgx s LEU 329 Cb 0.00 -3.92 -0.04 0.00 0.03 0.00 0.00 46.19 42.26 3kgx s LEU 329 CO 0.00 -0.08 0.06 -0.54 0.23 0.00 0.00 176.35 176.02 3kgx s LYS 330 N -2.23 2.63 -0.00 1.70 -0.14 -1.26 -4.28 119.74 116.16 3kgx s LYS 330 Ca 0.49 -0.97 -0.19 0.00 -1.36 0.00 0.00 55.97 53.94 3kgx s LYS 330 Cb -0.16 -2.50 -0.05 0.00 -1.68 0.00 0.00 37.83 33.43 3kgx s LYS 330 CO 0.21 0.48 0.56 -0.06 -0.76 0.00 0.00 175.35 175.78 3kgx s PHE 331 N -1.68 3.69 0.23 3.18 0.08 -1.26 -1.28 117.98 120.93 3kgx s PHE 331 Ca 0.29 1.15 -0.05 0.00 0.12 0.00 0.00 56.93 58.44 3kgx s PHE 331 Cb -0.10 -2.55 0.23 0.00 -0.57 0.00 0.00 43.02 40.03 3kgx s PHE 331 CO 0.21 0.40 1.72 0.35 -0.10 0.00 0.00 175.22 177.80 3kgx h PHE 332 N 5.49 0.99 -3.58 0.36 3.57 -1.63 -3.40 116.94 118.74 3kgx h PHE 332 Ca -0.46 -0.14 -0.63 0.00 3.53 0.00 0.00 57.97 60.27 3kgx h PHE 332 Cb 1.20 -0.27 -0.13 0.00 2.79 0.00 0.00 35.95 39.54 3kgx h PHE 332 CO 0.66 0.88 0.27 0.08 -2.23 0.00 0.00 178.31 177.97 3kgx s VAL 333 N -5.05 4.76 0.23 1.41 1.01 -1.26 -4.92 120.40 116.57 3kgx s VAL 333 Ca -0.10 0.56 0.08 0.00 0.00 0.00 0.00 61.98 62.52 3kgx s VAL 333 Cb 0.14 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 32.24 3kgx s VAL 333 CO 0.83 -0.51 1.52 0.11 0.00 0.00 0.00 175.10 177.04 3kgx h LYS 334 N 8.68 0.04 -5.85 2.72 1.79 -1.84 -3.41 116.57 118.71 3kgx h LYS 334 Ca -0.25 -0.04 -0.62 0.00 -2.18 0.00 0.00 60.65 57.56 3kgx h LYS 334 Cb 1.10 0.01 -0.12 0.00 -1.58 0.00 0.00 32.23 31.63 3kgx h LYS 334 CO 0.90 0.74 0.40 0.34 -1.08 0.00 0.00 179.45 180.76 3kgx s ASP 335 N -6.83 6.45 0.49 0.86 -1.08 -1.26 -4.94 116.67 110.35 3kgx s ASP 335 Ca -0.01 0.01 0.21 0.00 -0.52 0.00 0.00 52.55 52.24 3kgx s ASP 335 Cb 0.12 -2.40 1.25 0.00 -1.46 0.00 0.00 42.92 40.43 3kgx s ASP 335 CO 0.78 -0.91 1.98 -0.65 0.52 0.00 0.00 175.17 176.89 3kgx h PRO 336 N 8.91 0.16 0.00 4.34 0.11 -2.00 -2.25 132.00 141.27 3kgx h PRO 336 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3kgx h PRO 336 Cb 1.09 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3kgx h PRO 336 CO 0.96 0.11 0.00 0.93 -0.21 0.00 0.00 178.00 179.79 3kgx h GLU 337 N 0.17 0.00 -0.28 1.05 4.39 -1.96 -2.63 114.58 115.32 3kgx h GLU 337 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 3kgx h GLU 337 Cb 0.87 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 3kgx h GLU 337 CO -0.04 0.00 0.00 0.44 -1.16 0.00 0.00 179.01 178.25 3kgx n ILE 338 N -2.57 1.78 -2.54 3.13 -5.35 -0.85 -4.96 119.36 108.00 3kgx n ILE 338 Ca 0.01 -1.55 -0.43 0.00 -0.27 0.00 0.00 62.75 60.51 3kgx n ILE 338 Cb 0.22 0.04 -0.02 0.00 -1.74 0.00 0.00 39.64 38.13 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 -2.12 4.26 -0.09 6.28 0.52 -0.99 -0.89 118.95 125.92 3kgx s ARG 339 Ca 0.34 1.52 -0.29 0.00 -0.52 0.00 0.00 55.73 56.77 3kgx s ARG 339 Cb 0.25 -3.69 -0.05 0.00 0.52 0.00 0.00 34.95 31.98 3kgx s ARG 339 CO 0.11 -0.64 1.74 -1.17 0.02 0.00 0.00 175.30 175.36 3kgx s LEU 340 N 3.20 4.19 0.38 2.53 2.96 -0.06 -4.64 118.68 127.24 3kgx s LEU 340 Ca 0.50 2.15 0.08 0.00 -0.22 0.00 0.00 54.13 56.63 3kgx s LEU 340 Cb -0.19 -3.53 0.82 0.00 0.50 0.00 0.00 46.19 43.79 3kgx s LEU 340 CO 0.12 -1.09 1.97 -0.65 -1.32 0.00 0.00 176.35 175.38 3kgx h PRO 341 N 10.35 0.64 -0.02 0.98 0.10 -1.91 -3.11 132.00 139.04 3kgx h PRO 341 Ca -0.40 -0.04 -0.23 0.00 0.10 0.00 0.00 66.00 65.43 3kgx h PRO 341 Cb 1.19 -0.14 0.01 0.00 0.10 0.00 0.00 31.00 32.15 3kgx h PRO 341 CO 0.96 0.42 -0.93 1.79 0.10 0.00 0.00 178.00 180.34 3kgx h THR 342 N 0.66 1.36 -3.26 -1.15 1.35 -1.85 -3.43 112.91 106.59 3kgx h THR 342 Ca 0.29 -2.33 -0.48 0.00 -0.55 0.00 0.00 66.41 63.34 3kgx h THR 342 Cb 0.30 2.34 -0.39 0.00 -1.73 0.00 0.00 68.15 68.67 3kgx h THR 342 CO -0.09 0.71 -0.77 -0.63 -0.25 0.00 0.00 175.52 174.48 3kgx s ILE 343 N -3.35 0.52 -0.19 6.82 1.01 -1.17 -0.80 121.20 124.03 3kgx s ILE 343 Ca -0.07 -0.21 -0.09 0.00 0.00 0.00 0.00 60.65 60.28 3kgx s ILE 343 Cb 0.09 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.71 3kgx s ILE 343 CO 0.88 0.08 0.10 -0.89 0.00 0.00 0.00 174.94 175.11 3kgx s THR 344 N 1.89 5.12 -0.30 2.92 2.01 -0.17 -4.44 115.64 122.67 3kgx s THR 344 Ca 0.03 0.09 -0.15 0.00 0.31 0.00 0.00 61.69 61.97 3kgx s THR 344 Cb -0.14 -3.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 3kgx s THR 344 CO -0.07 0.45 0.35 0.42 -0.69 0.00 0.00 174.62 175.08 3kgx s THR 345 N 0.39 5.18 -0.21 -0.82 -4.23 -1.26 -1.82 115.64 112.87 3kgx s THR 345 Ca 0.06 0.35 -0.04 0.00 -1.18 0.00 0.00 61.69 60.87 3kgx s THR 345 Cb -0.12 -3.72 -0.02 0.00 1.34 0.00 0.00 72.50 69.98 3kgx s THR 345 CO -0.01 0.08 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.44 3kgx s VAL 346 N 2.03 3.65 0.21 2.29 1.01 0.17 -1.64 120.40 128.12 3kgx s VAL 346 Ca 0.13 -0.41 -0.32 0.00 0.00 0.00 0.00 61.98 61.38 3kgx s VAL 346 Cb -0.16 -2.66 -0.12 0.00 0.00 0.00 0.00 36.38 33.44 3kgx s VAL 346 CO 0.11 0.42 1.66 0.41 0.00 0.00 0.00 175.10 177.70 3kgx n THR 347 N 4.56 0.19 -1.69 3.92 -1.04 -0.41 -0.34 114.28 119.47 3kgx n THR 347 Ca -0.18 -0.05 -0.44 0.00 -2.04 0.00 0.00 64.05 61.35 3kgx n THR 347 Cb 0.51 -1.87 -0.04 0.00 -1.82 0.00 0.00 70.33 67.12 3kgx n THR 347 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3kgx n VAL 348 N 3.51 0.06 -1.87 12.58 0.31 -0.75 -4.50 118.33 127.67 3kgx n VAL 348 Ca 0.15 -0.01 -0.42 0.00 -0.01 0.00 0.00 64.34 64.05 3kgx n VAL 348 Cb 0.34 -1.81 -0.02 0.00 -0.91 0.00 0.00 33.84 31.43 3kgx n VAL 348 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3kgx s PRO 349 N 1.34 4.19 0.22 5.55 0.04 -1.26 -4.91 135.00 140.16 3kgx s PRO 349 Ca 0.78 2.45 -0.32 0.00 0.04 0.00 0.00 61.00 63.95 3kgx s PRO 349 Cb -0.58 -3.08 -0.13 0.00 0.04 0.00 0.00 34.50 30.74 3kgx s PRO 349 CO 0.36 -0.58 1.48 0.00 0.04 0.00 0.00 177.00 178.29 3kgx n ALA 350 N 2.86 1.34 0.00 8.56 0.00 -1.26 -2.55 120.51 129.45 3kgx n ALA 350 Ca 0.10 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3kgx n ALA 350 Cb 0.38 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.52 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 2.53 2.89 3.94 0.00 0.00 -1.26 -4.91 105.19 108.37 3kgx n GLY 351 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.36 3.48 -0.34 1.61 1.51 -1.06 -2.05 117.35 118.14 3kgx s TYR 352 Ca 0.00 0.27 -0.18 0.00 -1.01 0.00 0.00 57.07 56.15 3kgx s TYR 352 Cb 0.00 -1.81 -0.01 0.00 -0.11 0.00 0.00 41.96 40.04 3kgx s TYR 352 CO 0.00 0.35 0.53 1.21 -1.11 0.00 0.00 175.55 176.53 3kgx s ASN 353 N -3.47 6.35 0.44 2.29 3.84 -1.26 -4.90 114.94 118.22 3kgx s ASN 353 Ca 0.38 0.08 0.14 0.00 0.21 0.00 0.00 52.86 53.67 3kgx s ASN 353 Cb -0.10 -2.28 1.04 0.00 -0.55 0.00 0.00 41.25 39.35 3kgx s ASN 353 CO 0.30 -0.47 1.98 4.11 -2.79 0.00 0.00 177.10 180.24 3kgx h TRP 354 N 8.39 0.42 -0.39 0.43 5.08 -1.95 -1.48 115.95 126.46 3kgx h TRP 354 Ca -0.28 0.01 -0.02 0.00 1.08 0.00 0.00 58.89 59.68 3kgx h TRP 354 Cb 1.13 -0.14 -0.02 0.00 -3.00 0.00 0.00 29.16 27.13 3kgx h TRP 354 CO 0.73 0.20 0.16 0.00 -1.28 0.00 0.00 178.44 178.26 3kgx h ARG 355 N 0.40 0.55 -0.40 0.12 3.08 -1.99 -1.08 114.38 115.06 3kgx h ARG 355 Ca 0.27 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 60.11 3kgx h ARG 355 Cb 0.54 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3kgx h ARG 355 CO -0.07 0.45 -0.30 -0.44 -1.07 0.00 0.00 179.97 178.54 3kgx h ASP 356 N 0.55 0.93 0.12 7.04 3.32 -1.69 -0.37 116.42 126.32 3kgx h ASP 356 Ca 0.14 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 3kgx h ASP 356 Cb 0.11 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.40 3kgx h ASP 356 CO -0.01 1.15 -0.06 0.40 -1.72 0.00 0.00 179.24 179.00 3kgx h ILE 357 N 0.75 1.00 -0.41 0.35 2.04 -1.29 -0.66 117.51 119.29 3kgx h ILE 357 Ca 0.08 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.49 3kgx h ILE 357 Cb 0.87 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 3kgx h ILE 357 CO 0.08 0.12 0.22 0.58 0.00 0.00 0.00 178.15 179.14 3kgx h VAL 358 N -0.39 1.00 -0.59 1.67 2.07 -1.23 -1.91 116.25 116.88 3kgx h VAL 358 Ca -0.02 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 3kgx h VAL 358 Cb 0.31 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3kgx h VAL 358 CO 0.03 0.08 0.07 0.28 0.02 0.00 0.00 177.57 178.05 3kgx h SER 359 N 0.45 0.93 -0.33 0.57 0.02 -1.03 -2.45 113.55 111.71 3kgx h SER 359 Ca 0.17 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 3kgx h SER 359 Cb 0.05 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3kgx h SER 359 CO -0.10 0.94 0.17 0.22 -1.14 0.00 0.00 176.83 176.92 3kgx h TYR 360 N 0.91 0.46 -0.82 3.45 5.03 -0.87 0.60 116.97 125.73 3kgx h TYR 360 Ca 0.18 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.47 3kgx h TYR 360 Cb 0.43 -0.14 -0.04 0.00 1.55 0.00 0.00 36.73 38.53 3kgx h TYR 360 CO 0.03 0.39 0.50 0.28 -1.32 0.00 0.00 178.16 178.04 3kgx h VAL 361 N 0.40 1.22 0.05 1.81 2.07 -1.25 -1.06 116.25 119.49 3kgx h VAL 361 Ca 0.11 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 3kgx h VAL 361 Cb 0.10 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 3kgx h VAL 361 CO -0.02 0.23 -0.02 0.25 0.02 0.00 0.00 177.57 178.03 3kgx h LEU 362 N 1.12 -0.05 -0.27 2.57 5.85 -1.28 -1.69 115.31 121.55 3kgx h LEU 362 Ca 0.29 -0.32 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 3kgx h LEU 362 Cb -0.06 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 3kgx h LEU 362 CO -0.06 0.30 -0.30 0.44 -0.34 0.00 0.00 178.44 178.48 3kgx h ASP 363 N -0.41 0.73 0.75 1.25 3.32 -0.79 -1.69 116.42 119.58 3kgx h ASP 363 Ca -0.01 -0.48 -0.05 0.00 0.02 0.00 0.00 57.03 56.51 3kgx h ASP 363 Cb 0.37 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3kgx h ASP 363 CO 0.01 1.07 -1.29 1.41 -1.72 0.00 0.00 179.24 178.73 3kgx n HIS 364 N -4.27 0.81 -0.18 4.55 8.25 -0.41 -4.55 115.22 119.43 3kgx n HIS 364 Ca -0.04 0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 3kgx n HIS 364 Cb 0.48 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 30.66 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 -2.67 0.00 -3.29 4.41 3.01 -0.65 -5.03 117.46 113.24 3kgx n PHE 365 Ca -0.04 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.18 3kgx n PHE 365 Cb 0.64 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.15 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 -0.26 -5.74 -4.31 4.37 7.64 -0.64 -4.90 113.62 109.78 3kgx n SER 366 Ca 0.00 -0.41 -0.32 0.00 1.01 0.00 0.00 58.87 59.15 3kgx n SER 366 Cb 0.04 -4.61 -0.15 0.00 -1.01 0.00 0.00 64.21 58.48 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 -3.19 2.56 -0.27 0.44 1.01 -1.19 -1.18 121.20 119.38 3kgx s ILE 367 Ca 0.42 -0.85 -0.13 0.00 0.00 0.00 0.00 60.65 60.09 3kgx s ILE 367 Cb -0.19 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 3kgx s ILE 367 CO 0.52 0.55 0.27 -1.61 0.00 0.00 0.00 174.94 174.67 3kgx s GLU 368 N 0.15 4.01 0.35 2.79 2.02 -0.25 -2.90 118.70 124.87 3kgx s GLU 368 Ca -0.10 -0.14 0.06 0.00 0.02 0.00 0.00 54.97 54.80 3kgx s GLU 368 Cb -0.16 -3.63 -0.07 0.00 0.10 0.00 0.00 34.13 30.37 3kgx s GLU 368 CO 0.06 -0.18 0.02 0.96 0.02 0.00 0.00 175.26 176.14 3kgx s ILE 369 N 1.75 1.60 0.35 -1.63 -4.36 -1.26 -0.61 121.20 117.04 3kgx s ILE 369 Ca 0.11 -2.03 0.03 0.00 -0.26 0.00 0.00 60.65 58.50 3kgx s ILE 369 Cb -0.16 -2.81 -0.04 0.00 1.25 0.00 0.00 42.46 40.71 3kgx s ILE 369 CO 0.10 -0.06 0.11 -0.94 0.24 0.00 0.00 174.94 174.39 3kgx s SER 370 N -3.56 2.30 0.00 4.36 1.04 -1.00 -4.87 113.70 111.96 3kgx s SER 370 Ca 0.35 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 55.25 3kgx s SER 370 Cb 0.08 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3kgx s SER 370 CO 0.16 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.19 3kgx n GLY 371 N -0.74 1.39 0.39 7.32 0.00 -1.26 -0.75 105.19 111.54 3kgx n GLY 371 Ca -0.03 -1.68 -0.02 0.00 0.00 0.00 0.00 46.02 44.28 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 0.60 3.33 -0.02 0.00 -1.12 -3.63 105.19 109.34 3kgx n GLY 372 Ca 0.00 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 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 0.36 0.00 0.99 2.96 -1.26 -4.61 118.68 117.12 3kgx s LEU 373 Ca 0.07 0.84 0.00 0.00 -0.22 0.00 0.00 54.13 54.81 3kgx s LEU 373 Cb -0.00 1.49 0.00 0.00 0.50 0.00 0.00 46.19 48.17 3kgx s LEU 373 CO 0.04 -0.17 0.00 0.61 -1.32 0.00 0.00 176.35 175.52 3kgx n GLY 374 N 2.76 3.69 0.28 7.98 0.00 -1.26 -1.70 105.19 116.93 3kgx n GLY 374 Ca -0.14 0.21 0.19 0.00 0.00 0.00 0.00 46.02 46.28 3kgx n GLY 374 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kgx h PRO 375 N 0.00 0.00 -0.38 1.61 0.13 -1.94 -2.31 132.00 129.11 3kgx h PRO 375 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3kgx h PRO 375 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3kgx h PRO 375 CO 0.00 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.02 3kgx n THR 376 N -2.93 0.49 -1.69 1.56 -2.24 -0.69 -4.91 114.28 103.87 3kgx n THR 376 Ca -0.01 -0.64 -0.44 0.00 -2.27 0.00 0.00 64.05 60.69 3kgx n THR 376 Cb 0.18 0.64 -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 1.07 2.26 -0.51 -0.78 1.02 -0.87 -1.44 120.64 121.39 3kgx n GLU 377 Ca 0.18 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 58.13 3kgx n GLU 377 Cb 0.49 -2.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.37 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 2.61 0.00 -0.04 3.49 -0.58 -1.26 -4.79 120.64 120.06 3kgx n GLU 378 Ca 0.13 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.86 3kgx n GLU 378 Cb 0.32 -3.12 -0.10 0.00 -0.57 0.00 0.00 31.44 27.97 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 1.30 -4.27 3.49 1.74 -0.52 -4.93 116.66 111.46 3kgx n ARG 379 Ca 0.00 -0.06 -0.15 0.00 -0.77 0.00 0.00 57.85 56.88 3kgx n ARG 379 Cb 0.00 -1.31 -0.10 0.00 -1.02 0.00 0.00 32.46 30.03 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 -2.57 0.40 0.00 1.55 -7.23 -1.16 -1.80 120.40 109.59 3kgx s VAL 380 Ca -0.05 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.14 3kgx s VAL 380 Cb 0.06 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 3kgx s VAL 380 CO 0.52 -0.07 0.00 -0.76 -0.31 0.00 0.00 175.10 174.49 3kgx s LEU 381 N -3.25 3.52 -0.12 1.32 1.43 0.53 -2.81 118.68 119.31 3kgx s LEU 381 Ca 0.36 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 3kgx s LEU 381 Cb 0.07 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 3kgx s LEU 381 CO 0.12 0.27 -0.18 -0.13 0.23 0.00 0.00 176.35 176.66 3kgx s ARG 382 N -1.60 3.22 -0.14 1.70 0.52 0.07 -0.65 118.95 122.06 3kgx s ARG 382 Ca 0.20 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 54.65 3kgx s ARG 382 Cb -0.12 -2.50 0.01 0.00 0.52 0.00 0.00 34.95 32.87 3kgx s ARG 382 CO 0.11 0.16 -0.19 0.42 0.02 0.00 0.00 175.30 175.82 3kgx s ILE 383 N 0.43 1.86 -0.09 1.52 1.01 -0.76 -2.38 121.20 122.79 3kgx s ILE 383 Ca -0.13 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 3kgx s ILE 383 Cb -0.17 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 3kgx s ILE 383 CO 0.06 0.51 -0.02 -0.83 0.00 0.00 0.00 174.94 174.66 3kgx s GLY 384 N 1.04 1.80 -0.47 6.18 0.00 0.71 -1.00 107.32 115.58 3kgx s GLY 384 Ca -0.03 -0.82 0.03 0.00 0.00 0.00 0.00 44.72 43.90 3kgx s GLY 384 CO -0.05 -0.52 0.23 1.08 0.00 0.00 0.00 173.10 173.84 3kgx s LEU 385 N -0.69 3.51 -0.23 0.66 1.43 0.02 -4.38 118.68 119.00 3kgx s LEU 385 Ca 0.11 -2.74 -0.00 0.00 -1.03 0.00 0.00 54.13 50.46 3kgx s LEU 385 Cb -0.12 -1.33 0.03 0.00 0.03 0.00 0.00 46.19 44.80 3kgx s LEU 385 CO 0.02 -0.26 -0.10 -0.76 0.23 0.00 0.00 176.35 175.48 3kgx s LEU 386 N 0.14 2.98 0.00 1.79 1.43 -1.26 -4.57 118.68 119.19 3kgx s LEU 386 Ca 0.17 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 3kgx s LEU 386 Cb -0.25 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.37 3kgx s LEU 386 CO -0.01 -0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.07 3kgx n GLY 387 N 4.62 1.75 0.42 -3.19 0.00 -1.24 -1.65 105.19 105.90 3kgx n GLY 387 Ca -0.17 0.49 0.23 0.00 0.00 0.00 0.00 46.02 46.57 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 0.41 -0.00 1.61 3.20 -1.89 0.05 116.97 120.34 3kgx h TYR 388 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3kgx h TYR 388 Cb 0.00 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.15 3kgx h TYR 388 CO 0.00 0.09 -0.07 0.09 -1.64 0.00 0.00 178.16 176.63 3kgx n ASN 389 N -4.46 0.46 -4.13 -2.11 3.02 -0.66 -4.62 115.26 102.76 3kgx n ASN 389 Ca 0.20 -0.71 -0.43 0.00 -0.03 0.00 0.00 54.58 53.61 3kgx n ASN 389 Cb 0.82 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.92 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 -0.87 4.69 -2.65 5.41 0.00 0.00 -4.49 120.51 122.60 3kgx n ALA 390 Ca 0.17 -4.23 -0.20 0.00 0.00 0.00 0.00 53.44 49.17 3kgx n ALA 390 Cb 0.25 -3.09 -0.12 0.00 0.00 0.00 0.00 19.45 16.49 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 1.27 1.28 0.46 0.00 -4.23 -1.26 -4.74 115.64 108.43 3kgx s THR 391 Ca 0.42 -1.33 0.18 0.00 -1.18 0.00 0.00 61.69 59.78 3kgx s THR 391 Cb 0.05 -1.20 0.22 0.00 1.34 0.00 0.00 72.50 72.91 3kgx s THR 391 CO 0.00 -0.14 2.04 0.71 -0.54 0.00 0.00 174.62 176.69 3kgx h THR 392 N 4.26 0.99 -0.46 3.99 1.35 -1.91 -2.36 112.91 118.78 3kgx h THR 392 Ca -0.42 -0.48 -0.03 0.00 -0.55 0.00 0.00 66.41 64.93 3kgx h THR 392 Cb 1.19 1.27 -0.02 0.00 -1.73 0.00 0.00 68.15 68.85 3kgx h THR 392 CO 0.41 0.13 0.17 -0.33 -0.25 0.00 0.00 175.52 175.64 3kgx h GLU 393 N 0.00 0.69 -0.27 4.72 3.07 -1.96 -0.92 114.58 119.92 3kgx h GLU 393 Ca -0.00 -0.14 -0.11 0.00 -0.50 0.00 0.00 59.36 58.61 3kgx h GLU 393 Cb 0.26 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 3kgx h GLU 393 CO 0.02 0.65 -0.31 -0.91 -1.40 0.00 0.00 179.01 177.05 3kgx h ASN 394 N 0.60 0.57 -0.30 1.42 2.35 -1.79 -2.18 115.58 116.25 3kgx h ASN 394 Ca 0.15 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3kgx h ASN 394 Cb 0.22 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3kgx h ASN 394 CO -0.01 0.85 0.17 0.58 -1.65 0.00 0.00 177.43 177.37 3kgx h VAL 395 N 0.48 1.12 -0.95 2.81 2.07 -1.20 -1.46 116.25 119.12 3kgx h VAL 395 Ca 0.06 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.29 3kgx h VAL 395 Cb 0.78 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 3kgx h VAL 395 CO 0.06 0.12 0.63 0.44 0.02 0.00 0.00 177.57 178.84 3kgx h ASP 396 N 0.37 1.07 -0.28 0.57 3.32 -1.06 0.69 116.42 121.11 3kgx h ASP 396 Ca 0.11 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3kgx h ASP 396 Cb 0.04 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3kgx h ASP 396 CO -0.02 0.76 0.15 0.03 -1.72 0.00 0.00 179.24 178.44 3kgx h ARG 397 N 1.26 0.39 -0.11 3.56 3.08 -0.98 -1.26 114.38 120.32 3kgx h ARG 397 Ca 0.36 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.21 3kgx h ARG 397 Cb -0.10 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3kgx h ARG 397 CO -0.09 0.35 -0.59 -0.24 -1.07 0.00 0.00 179.97 178.33 3kgx h VAL 398 N 0.33 1.36 -0.69 2.04 3.04 -1.10 -2.18 116.25 119.05 3kgx h VAL 398 Ca 0.10 -1.91 -0.02 0.00 -1.01 0.00 0.00 66.70 63.86 3kgx h VAL 398 Cb 0.08 1.92 -0.03 0.00 -2.01 0.00 0.00 31.29 31.24 3kgx h VAL 398 CO -0.01 0.57 0.36 0.00 -1.01 0.00 0.00 177.57 177.48 3kgx h ALA 399 N 1.10 0.89 -0.41 3.17 0.00 -0.71 -0.67 119.26 122.62 3kgx h ALA 399 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3kgx h ALA 399 Cb 1.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3kgx h ALA 399 CO 0.10 0.42 0.20 1.49 0.00 0.00 0.00 179.25 181.46 3kgx h GLU 400 N 0.95 0.60 -0.63 0.00 4.81 -1.17 -1.07 114.58 118.07 3kgx h GLU 400 Ca 0.24 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3kgx h GLU 400 Cb 0.08 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 3kgx h GLU 400 CO -0.03 0.52 0.35 0.00 -0.73 0.00 0.00 179.01 179.12 3kgx h ALA 401 N 1.04 0.81 -0.40 2.92 0.00 -1.12 -1.91 119.26 120.60 3kgx h ALA 401 Ca 0.14 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3kgx h ALA 401 Cb 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3kgx h ALA 401 CO -0.02 0.31 -0.07 -0.07 0.00 0.00 0.00 179.25 179.40 3kgx h LEU 402 N 0.86 0.76 -0.45 0.00 3.38 -1.04 -1.51 115.31 117.31 3kgx h LEU 402 Ca 0.22 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.88 3kgx h LEU 402 Cb 0.03 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3kgx h LEU 402 CO -0.04 0.93 0.21 0.03 0.09 0.00 0.00 178.44 179.67 3kgx h ARG 403 N 0.58 0.41 -0.55 1.13 3.08 -1.02 -0.78 114.38 117.22 3kgx h ARG 403 Ca 0.11 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 3kgx h ARG 403 Cb 0.59 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3kgx h ARG 403 CO 0.03 0.27 0.06 1.49 -1.07 0.00 0.00 179.97 180.75 3kgx h GLU 404 N 0.42 0.93 -0.57 0.04 4.81 -1.28 -2.68 114.58 116.25 3kgx h GLU 404 Ca 0.20 -0.26 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3kgx h GLU 404 Cb 0.13 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 3kgx h GLU 404 CO -0.15 0.91 0.32 0.00 -0.73 0.00 0.00 179.01 179.35 3kgx h ALA 405 N 0.98 0.74 -0.54 2.92 0.00 -0.97 -1.64 119.26 120.74 3kgx h ALA 405 Ca 0.16 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3kgx h ALA 405 Cb 0.45 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3kgx h ALA 405 CO 0.02 0.00 0.11 -0.07 0.00 0.00 0.00 179.25 179.31 3kgx h LEU 406 N 0.61 0.79 -0.31 0.00 3.38 -1.00 0.85 115.31 119.64 3kgx h LEU 406 Ca 0.24 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 3kgx h LEU 406 Cb 0.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3kgx h LEU 406 CO -0.14 0.79 -0.51 0.06 0.09 0.00 0.00 178.44 178.74 3kgx h GLN 407 N 0.81 0.00 0.00 1.13 3.07 -1.22 -3.39 115.11 115.51 3kgx h GLN 407 Ca 0.17 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.72 3kgx h GLN 407 Cb 0.33 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.85 3kgx h GLN 407 CO 0.00 0.51 -1.95 0.72 0.09 0.00 0.00 178.83 178.20 3kgx n HIS 408 N -3.33 0.00 -2.28 0.06 8.25 -0.64 -5.01 115.22 112.26 3kgx n HIS 408 Ca 0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.10 3kgx n HIS 408 Cb 0.68 -0.64 -0.01 0.00 1.12 0.00 0.00 29.99 31.14 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 -2.79 4.30 0.29 0.00 0.02 -1.26 -4.95 135.00 130.60 3kgx s PRO 410 Ca 0.65 2.13 0.09 0.00 0.02 0.00 0.00 61.00 63.89 3kgx s PRO 410 Cb -0.27 -3.23 -0.04 0.00 0.02 0.00 0.00 34.50 30.97 3kgx s PRO 410 CO 0.33 -0.47 0.03 0.21 -0.33 0.00 0.00 177.00 176.76 3kgx s LYS 411 N 1.12 2.30 0.00 5.54 2.20 -1.26 -4.42 119.74 125.22 3kgx s LYS 411 Ca 0.66 -1.46 0.23 0.00 -0.36 0.00 0.00 55.97 55.03 3kgx s LYS 411 Cb -0.38 -2.15 0.18 0.00 -1.51 0.00 0.00 37.83 33.97 3kgx s LYS 411 CO 0.30 0.30 1.23 0.09 -0.36 0.00 0.00 175.35 176.91