#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcx s PRO 16 N 0.00 4.14 0.32 5.31 0.02 -1.26 -4.94 135.00 138.59 3kcx s PRO 16 Ca 0.00 2.55 -0.29 0.00 0.02 0.00 0.00 61.00 63.28 3kcx s PRO 16 Cb 0.00 -3.04 -0.10 0.00 0.02 0.00 0.00 34.50 31.38 3kcx s PRO 16 CO 0.00 -0.63 1.27 1.03 -0.33 0.00 0.00 177.00 178.34 3kcx s ARG 17 N -0.23 4.41 -0.13 5.54 0.52 -1.26 -4.88 118.95 122.92 3kcx s ARG 17 Ca 0.64 2.14 -0.26 0.00 -0.52 0.00 0.00 55.73 57.73 3kcx s ARG 17 Cb -0.47 -3.09 -0.02 0.00 0.52 0.00 0.00 34.95 31.89 3kcx s ARG 17 CO 0.45 -0.12 0.87 -1.21 0.02 0.00 0.00 175.30 175.31 3kcx s GLU 18 N -1.73 4.36 0.40 3.54 0.41 -1.26 -2.66 118.70 121.76 3kcx s GLU 18 Ca 0.48 1.11 -0.24 0.00 -0.41 0.00 0.00 54.97 55.91 3kcx s GLU 18 Cb -0.38 -3.54 -0.09 0.00 -1.78 0.00 0.00 34.13 28.33 3kcx s GLU 18 CO 0.51 -0.26 1.07 -1.21 -0.49 0.00 0.00 175.26 174.88 3kcx s GLU 19 N 1.89 4.12 0.63 1.61 2.02 -1.19 -4.97 118.70 122.81 3kcx s GLU 19 Ca 0.41 1.56 -0.17 0.00 0.02 0.00 0.00 54.97 56.79 3kcx s GLU 19 Cb -0.17 -2.54 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 3kcx s GLU 19 CO 0.15 -0.19 0.85 0.00 0.02 0.00 0.00 175.26 176.09 3kcx n ALA 20 N -0.09 -0.27 -1.64 5.21 0.00 -1.26 -3.15 120.51 119.30 3kcx n ALA 20 Ca 0.05 -0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 3kcx n ALA 20 Cb 0.49 -2.04 -0.04 0.00 0.00 0.00 0.00 19.45 17.86 3kcx n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcx n GLY 21 N 1.38 0.94 3.74 0.00 0.00 -1.26 -3.57 105.19 106.42 3kcx n GLY 21 Ca 0.13 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 3kcx n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcx n ALA 22 N 0.39 -1.61 1.97 4.61 0.00 -1.19 -4.90 120.51 119.78 3kcx n ALA 22 Ca -0.14 0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.46 3kcx n ALA 22 Cb 0.49 -3.57 0.51 0.00 0.00 0.00 0.00 19.45 16.88 3kcx n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kcx n LEU 23 N -4.54 0.00 0.00 0.00 4.77 -1.22 -4.98 117.00 111.03 3kcx n LEU 23 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3kcx n LEU 23 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 3kcx n LEU 23 CO 0.70 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3kcx n GLY 24 N 0.75 1.13 3.74 -0.72 0.00 -1.26 -4.94 105.19 103.88 3kcx n GLY 24 Ca 0.13 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 3kcx n GLY 24 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kcx s PRO 25 N -1.74 4.18 0.28 1.61 0.02 -1.26 -3.20 135.00 134.90 3kcx s PRO 25 Ca 0.00 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.48 3kcx s PRO 25 Cb 0.00 -3.09 0.50 0.00 0.02 0.00 0.00 34.50 31.93 3kcx s PRO 25 CO 0.00 -0.59 1.87 0.00 -0.33 0.00 0.00 177.00 177.95 3kcx h ALA 26 N 5.68 1.48 -2.97 -1.55 0.00 -1.84 -3.45 119.26 116.61 3kcx h ALA 26 Ca -0.45 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.46 3kcx h ALA 26 Cb 1.21 -0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.65 3kcx h ALA 26 CO 0.84 0.33 0.17 1.67 0.00 0.00 0.00 179.25 182.26 3kcx s TRP 27 N -5.97 -0.34 0.16 0.00 1.48 -1.26 -5.05 118.94 107.96 3kcx s TRP 27 Ca -0.12 0.02 0.05 0.00 -1.06 0.00 0.00 56.10 54.99 3kcx s TRP 27 Cb 0.21 0.56 -0.05 0.00 -1.16 0.00 0.00 33.47 33.03 3kcx s TRP 27 CO 0.81 -0.97 -0.09 0.16 -4.06 0.00 0.00 176.95 172.79 3kcx s ASP 28 N -2.83 1.86 0.31 -2.66 1.47 -1.26 -4.78 116.67 108.77 3kcx s ASP 28 Ca 0.06 -1.04 0.04 0.00 1.18 0.00 0.00 52.55 52.79 3kcx s ASP 28 Cb -0.02 -0.02 0.80 0.00 -0.34 0.00 0.00 42.92 43.34 3kcx s ASP 28 CO -0.05 -0.34 1.60 1.05 0.68 0.00 0.00 175.17 178.11 3kcx h GLU 29 N 2.72 0.09 0.00 2.11 4.11 -2.03 -0.79 114.58 120.79 3kcx h GLU 29 Ca -0.37 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.06 3kcx h GLU 29 Cb 1.20 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3kcx h GLU 29 CO 0.64 0.06 0.02 -1.13 0.07 0.00 0.00 179.01 178.66 3kcx n SER 30 N -5.35 0.00 -0.11 3.06 3.41 -1.26 -0.54 113.62 112.82 3kcx n SER 30 Ca 0.24 0.27 0.11 0.00 -0.26 0.00 0.00 58.87 59.23 3kcx n SER 30 Cb 0.79 -0.27 0.03 0.00 -0.26 0.00 0.00 64.21 64.50 3kcx n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kcx n GLN 31 N -1.26 0.30 -3.73 4.33 6.02 -0.30 -4.89 117.38 117.85 3kcx n GLN 31 Ca 0.00 -0.23 -0.37 0.00 -0.01 0.00 0.00 57.00 56.40 3kcx n GLN 31 Cb 0.02 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.72 3kcx n GLN 31 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kcx s LEU 32 N -2.86 4.33 0.71 1.08 1.43 0.29 -2.63 118.68 121.04 3kcx s LEU 32 Ca 0.12 0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 53.57 3kcx s LEU 32 Cb 0.17 -2.20 0.03 0.00 0.03 0.00 0.00 46.19 44.22 3kcx s LEU 32 CO 0.75 0.29 1.11 -0.13 0.23 0.00 0.00 176.35 178.59 3kcx s ARG 33 N -0.42 2.50 -0.13 1.70 0.52 -1.26 -5.03 118.95 116.82 3kcx s ARG 33 Ca 0.15 1.33 -0.06 0.00 -0.52 0.00 0.00 55.73 56.63 3kcx s ARG 33 Cb -0.13 -1.92 -0.04 0.00 0.52 0.00 0.00 34.95 33.39 3kcx s ARG 33 CO 0.04 -1.48 0.08 -1.54 0.02 0.00 0.00 175.30 172.42 3kcx s SER 34 N -2.86 5.87 0.05 0.23 1.04 -1.26 -5.10 113.70 111.68 3kcx s SER 34 Ca 0.65 0.27 0.01 0.00 0.48 0.00 0.00 55.95 57.36 3kcx s SER 34 Cb -0.20 -1.88 -0.03 0.00 0.10 0.00 0.00 66.02 64.01 3kcx s SER 34 CO 0.48 0.33 -0.06 -0.31 0.98 0.00 0.00 173.24 174.65 3kcx s TYR 35 N -0.54 0.65 -0.98 5.02 2.02 -1.26 -4.95 117.35 117.30 3kcx s TYR 35 Ca 0.11 -0.66 0.14 0.00 -0.37 0.00 0.00 57.07 56.29 3kcx s TYR 35 Cb -0.12 -0.40 0.60 0.00 -0.40 0.00 0.00 41.96 41.64 3kcx s TYR 35 CO 0.02 -0.14 1.45 -1.13 -1.57 0.00 0.00 175.55 174.17 3kcx n SER 36 N 0.98 0.02 -4.52 2.29 3.41 -1.26 -4.82 113.62 109.72 3kcx n SER 36 Ca -0.20 0.51 -0.28 0.00 -0.26 0.00 0.00 58.87 58.64 3kcx n SER 36 Cb 0.57 -0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 63.91 3kcx n SER 36 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3kcx s PHE 37 N -3.01 2.54 0.76 7.33 -0.12 -1.26 -5.09 117.98 119.14 3kcx s PHE 37 Ca 0.07 -0.26 -0.12 0.00 -0.05 0.00 0.00 56.93 56.57 3kcx s PHE 37 Cb 0.09 -1.28 0.05 0.00 -0.63 0.00 0.00 43.02 41.25 3kcx s PHE 37 CO 0.25 0.47 1.14 -1.25 -0.05 0.00 0.00 175.22 175.78 3kcx s PRO 38 N -2.59 2.35 0.06 1.99 0.04 -1.26 -4.97 135.00 130.63 3kcx s PRO 38 Ca 0.22 0.31 -0.13 0.00 0.04 0.00 0.00 61.00 61.44 3kcx s PRO 38 Cb -0.09 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.49 3kcx s PRO 38 CO 0.13 -1.36 0.30 0.95 0.04 0.00 0.00 177.00 177.06 3kcx s THR 39 N -3.44 0.09 0.33 1.26 -4.23 -1.26 -2.70 115.64 105.69 3kcx s THR 39 Ca 0.60 -0.74 0.08 0.00 -1.18 0.00 0.00 61.69 60.45 3kcx s THR 39 Cb -0.11 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 3kcx s THR 39 CO 0.51 -0.41 0.18 -0.13 -0.54 0.00 0.00 174.62 174.23 3kcx s ARG 40 N -2.97 2.50 0.06 3.99 1.81 0.16 -4.90 118.95 119.60 3kcx s ARG 40 Ca -0.02 -1.44 -0.25 0.00 -1.72 0.00 0.00 55.73 52.30 3kcx s ARG 40 Cb 0.01 -2.29 -0.06 0.00 -0.45 0.00 0.00 34.95 32.16 3kcx s ARG 40 CO -0.06 0.13 0.75 -1.25 -0.68 0.00 0.00 175.30 174.20 3kcx s PRO 41 N -3.88 4.49 0.16 3.54 0.04 -1.26 0.11 135.00 138.20 3kcx s PRO 41 Ca 0.38 1.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.17 3kcx s PRO 41 Cb -0.04 -3.34 -0.08 0.00 0.04 0.00 0.00 34.50 31.08 3kcx s PRO 41 CO 0.24 0.34 1.18 0.42 0.04 0.00 0.00 177.00 179.22 3kcx s ILE 42 N -0.26 3.69 0.22 0.56 1.01 -0.60 -4.81 121.20 121.01 3kcx s ILE 42 Ca 0.37 1.39 -0.31 0.00 0.00 0.00 0.00 60.65 62.10 3kcx s ILE 42 Cb -0.21 -3.89 -0.12 0.00 0.01 0.00 0.00 42.46 38.26 3kcx s ILE 42 CO 0.23 0.21 1.68 -2.84 0.00 0.00 0.00 174.94 174.22 3kcx s PRO 43 N -0.05 4.13 -0.29 2.79 0.02 -1.26 -4.78 135.00 135.57 3kcx s PRO 43 Ca 0.53 2.58 -0.19 0.00 0.02 0.00 0.00 61.00 63.94 3kcx s PRO 43 Cb -0.32 -3.07 -0.02 0.00 0.02 0.00 0.00 34.50 31.12 3kcx s PRO 43 CO 0.35 -0.71 0.57 1.03 -0.33 0.00 0.00 177.00 177.91 3kcx s ARG 44 N 0.79 3.96 0.26 5.54 0.52 -1.26 -1.31 118.95 127.44 3kcx s ARG 44 Ca 0.72 0.28 0.01 0.00 -0.52 0.00 0.00 55.73 56.22 3kcx s ARG 44 Cb -0.49 -3.70 -0.04 0.00 0.52 0.00 0.00 34.95 31.24 3kcx s ARG 44 CO 0.36 -0.48 0.13 -0.51 0.02 0.00 0.00 175.30 174.82 3kcx s LEU 45 N 2.46 1.51 0.09 2.53 1.43 0.81 -4.96 118.68 122.54 3kcx s LEU 45 Ca 0.23 -1.45 -0.11 0.00 -1.03 0.00 0.00 54.13 51.77 3kcx s LEU 45 Cb -0.15 0.19 -0.06 0.00 0.03 0.00 0.00 46.19 46.20 3kcx s LEU 45 CO 0.11 -0.82 0.43 -0.55 0.23 0.00 0.00 176.35 175.75 3kcx s SER 46 N -3.29 6.69 0.52 2.29 0.15 -1.26 -0.13 113.70 118.67 3kcx s SER 46 Ca 0.38 0.86 0.27 0.00 0.70 0.00 0.00 55.95 58.16 3kcx s SER 46 Cb 0.07 -2.21 1.40 0.00 -1.71 0.00 0.00 66.02 63.57 3kcx s SER 46 CO 0.15 0.16 1.93 -0.61 1.20 0.00 0.00 173.24 176.07 3kcx h GLN 47 N 3.73 0.04 0.00 5.44 -0.00 -1.94 -0.56 115.11 121.83 3kcx h GLN 47 Ca -0.49 -0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.10 3kcx h GLN 47 Cb 1.19 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.66 3kcx h GLN 47 CO 0.66 0.03 -0.68 0.66 0.00 0.00 0.00 178.83 179.50 3kcx h SER 48 N 0.05 0.00 -2.17 -0.69 4.64 -1.94 -3.46 113.55 109.98 3kcx h SER 48 Ca 0.36 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 61.06 3kcx h SER 48 Cb 1.35 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.51 3kcx h SER 48 CO -0.02 0.21 0.60 -0.67 -0.87 0.00 0.00 176.83 176.07 3kcx n ASP 49 N -2.95 2.42 0.24 4.97 -0.08 -0.22 -4.89 116.55 116.05 3kcx n ASP 49 Ca -0.00 1.11 0.12 0.00 -1.51 0.00 0.00 54.79 54.51 3kcx n ASP 49 Cb 0.63 -1.34 0.59 0.00 2.34 0.00 0.00 41.12 43.35 3kcx n ASP 49 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3kcx h PRO 50 N 4.85 0.00 -0.00 -0.67 0.11 -1.89 -3.06 132.00 131.34 3kcx h PRO 50 Ca -0.45 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 3kcx h PRO 50 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 3kcx h PRO 50 CO 0.81 0.16 -0.48 0.00 -0.21 0.00 0.00 178.00 178.27 3kcx h ARG 51 N 0.00 0.01 -0.38 1.05 3.08 -1.92 -1.91 114.38 114.32 3kcx h ARG 51 Ca -0.00 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3kcx h ARG 51 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 3kcx h ARG 51 CO 0.02 0.49 0.02 0.00 -1.07 0.00 0.00 179.97 179.43 3kcx h ALA 52 N 1.51 0.51 -0.29 0.04 0.00 -1.80 -0.56 119.26 118.66 3kcx h ALA 52 Ca -0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3kcx h ALA 52 Cb 0.86 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3kcx h ALA 52 CO 0.06 0.26 -0.04 1.49 0.00 0.00 0.00 179.25 181.02 3kcx h GLU 53 N 0.48 0.46 -0.13 0.00 4.57 -1.57 -1.73 114.58 116.66 3kcx h GLU 53 Ca 0.11 -0.10 -0.18 0.00 -1.18 0.00 0.00 59.36 58.00 3kcx h GLU 53 Cb 0.44 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.97 3kcx h GLU 53 CO 0.02 0.52 -0.68 1.49 -1.18 0.00 0.00 179.01 179.18 3kcx h GLU 54 N 0.44 0.55 -0.45 1.92 4.81 -1.03 -2.48 114.58 118.33 3kcx h GLU 54 Ca 0.09 -0.41 -0.14 0.00 -0.13 0.00 0.00 59.36 58.77 3kcx h GLU 54 Cb 0.36 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3kcx h GLU 54 CO 0.01 1.03 -0.27 -0.07 -0.73 0.00 0.00 179.01 178.99 3kcx h LEU 55 N 0.39 1.01 -0.17 1.64 3.38 -0.57 -2.51 115.31 118.48 3kcx h LEU 55 Ca -0.02 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 3kcx h LEU 55 Cb 1.26 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 3kcx h LEU 55 CO 0.13 1.21 -0.05 0.40 0.09 0.00 0.00 178.44 180.21 3kcx h ILE 56 N 0.82 1.30 -0.22 1.22 2.04 -1.26 0.39 117.51 121.79 3kcx h ILE 56 Ca 0.09 -1.04 -0.10 0.00 1.00 0.00 0.00 64.86 64.82 3kcx h ILE 56 Cb 0.85 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 3kcx h ILE 56 CO 0.08 0.31 -0.27 -0.08 0.00 0.00 0.00 178.15 178.18 3kcx h GLU 57 N 0.03 0.43 0.00 2.37 4.57 -1.54 -0.51 114.58 119.93 3kcx h GLU 57 Ca 0.04 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 3kcx h GLU 57 Cb 0.50 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 3kcx h GLU 57 CO 0.02 0.67 0.00 0.09 -1.18 0.00 0.00 179.01 178.61 3kcx n ASN 58 N -4.11 0.00 -3.91 1.04 4.13 -0.95 -4.92 115.26 106.54 3kcx n ASN 58 Ca -0.01 -1.41 -0.31 0.00 1.68 0.00 0.00 54.58 54.54 3kcx n ASN 58 Cb 0.41 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.65 3kcx n ASN 58 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3kcx n GLU 59 N -0.69 -2.04 -4.31 3.52 1.02 -0.20 -5.00 120.64 112.93 3kcx n GLU 59 Ca 0.08 0.35 -0.25 0.00 -0.02 0.00 0.00 57.16 57.32 3kcx n GLU 59 Cb 0.04 -4.05 -0.13 0.00 -0.02 0.00 0.00 31.44 27.28 3kcx n GLU 59 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3kcx s GLU 60 N -6.56 1.17 0.84 3.49 2.02 0.13 -4.83 118.70 114.97 3kcx s GLU 60 Ca 0.22 -1.18 -0.10 0.00 0.02 0.00 0.00 54.97 53.92 3kcx s GLU 60 Cb -0.09 -1.47 0.10 0.00 0.10 0.00 0.00 34.13 32.77 3kcx s GLU 60 CO 0.90 0.34 1.11 -1.25 0.02 0.00 0.00 175.26 176.38 3kcx s PRO 61 N -1.91 1.64 -0.29 0.39 0.04 -1.26 -4.11 135.00 129.49 3kcx s PRO 61 Ca 0.08 1.27 -0.16 0.00 0.04 0.00 0.00 61.00 62.23 3kcx s PRO 61 Cb -0.10 -1.82 0.17 0.00 0.04 0.00 0.00 34.50 32.80 3kcx s PRO 61 CO 0.04 -2.11 1.10 0.54 0.04 0.00 0.00 177.00 176.62 3kcx s VAL 62 N -2.80 -0.01 -0.24 -0.36 0.11 -1.22 -4.69 120.40 111.19 3kcx s VAL 62 Ca 0.64 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.48 3kcx s VAL 62 Cb -0.19 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.64 3kcx s VAL 62 CO 0.57 0.00 0.65 -0.69 -3.33 0.00 0.00 175.10 172.30 3kcx s VAL 63 N 1.23 4.98 -0.35 2.04 1.01 -0.43 -0.95 120.40 127.93 3kcx s VAL 63 Ca -0.08 1.19 -0.15 0.00 0.00 0.00 0.00 61.98 62.94 3kcx s VAL 63 Cb -0.03 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 3kcx s VAL 63 CO -0.13 0.04 0.33 -0.76 0.00 0.00 0.00 175.10 174.58 3kcx s LEU 64 N 2.38 4.54 0.22 3.92 1.43 0.13 -0.14 118.68 131.16 3kcx s LEU 64 Ca 0.28 -0.36 0.25 0.00 -1.03 0.00 0.00 54.13 53.27 3kcx s LEU 64 Cb -0.16 -2.27 0.57 0.00 0.03 0.00 0.00 46.19 44.36 3kcx s LEU 64 CO 0.09 -0.33 1.59 0.71 0.23 0.00 0.00 176.35 178.64 3kcx h THR 65 N 5.54 0.00 -0.61 5.49 1.35 -0.82 -2.59 112.91 121.27 3kcx h THR 65 Ca -0.30 -0.59 -0.33 0.00 -0.55 0.00 0.00 66.41 64.64 3kcx h THR 65 Cb 1.14 1.45 -0.41 0.00 -1.73 0.00 0.00 68.15 68.61 3kcx h THR 65 CO 0.68 0.00 -1.05 -0.90 -0.25 0.00 0.00 175.52 174.00 3kcx n ASP 66 N -2.38 2.37 0.05 5.36 5.75 -1.26 -4.68 116.55 121.75 3kcx n ASP 66 Ca 0.04 -2.53 -0.13 0.00 -0.01 0.00 0.00 54.79 52.17 3kcx n ASP 66 Cb 0.45 -0.46 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 3kcx n ASP 66 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 3kcx h THR 67 N 4.47 1.36 -0.04 2.12 1.35 -1.81 -3.44 112.91 116.92 3kcx h THR 67 Ca -0.01 -2.25 -0.02 0.00 -0.55 0.00 0.00 66.41 63.59 3kcx h THR 67 Cb 1.30 2.23 -0.01 0.00 -1.73 0.00 0.00 68.15 69.95 3kcx h THR 67 CO 0.36 0.68 -0.01 0.59 -0.25 0.00 0.00 175.52 176.89 3kcx n ASN 68 N -3.82 -4.65 -0.33 5.36 3.02 -1.26 -4.90 115.26 108.69 3kcx n ASN 68 Ca -0.06 0.02 0.11 0.00 -0.03 0.00 0.00 54.58 54.62 3kcx n ASN 68 Cb 0.78 -2.22 0.23 0.00 -0.61 0.00 0.00 39.78 37.96 3kcx n ASN 68 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3kcx n LEU 69 N -0.09 -0.18 -1.64 3.41 7.94 -1.26 -2.13 117.00 123.04 3kcx n LEU 69 Ca -0.01 1.60 -0.05 0.00 -1.11 0.00 0.00 56.01 56.44 3kcx n LEU 69 Cb 0.28 -0.55 0.08 0.00 0.53 0.00 0.00 43.42 43.77 3kcx n LEU 69 CO 0.01 -1.59 0.17 1.33 -1.11 0.00 0.00 177.39 176.20 3kcx n VAL 70 N -5.43 1.68 -0.31 1.96 0.24 -1.26 -0.42 118.33 114.79 3kcx n VAL 70 Ca 0.20 -3.02 0.01 0.00 -2.04 0.00 0.00 64.34 59.49 3kcx n VAL 70 Cb 0.64 0.04 0.08 0.00 -1.47 0.00 0.00 33.84 33.14 3kcx n VAL 70 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 3kcx h TYR 71 N 1.67 -0.65 0.00 6.34 3.20 -1.74 -0.49 116.97 125.29 3kcx h TYR 71 Ca 0.04 0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 3kcx h TYR 71 Cb 1.39 0.42 -0.00 0.00 1.54 0.00 0.00 36.73 40.08 3kcx h TYR 71 CO 0.62 -0.38 -0.00 -1.35 -1.64 0.00 0.00 178.16 175.40 3kcx h PRO 72 N -0.02 0.00 -0.00 1.82 0.11 -1.85 -1.98 132.00 130.08 3kcx h PRO 72 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 3kcx h PRO 72 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 3kcx h PRO 72 CO -0.88 0.00 -0.34 0.00 -0.21 0.00 0.00 178.00 176.57 3kcx n ALA 73 N -2.10 3.16 0.27 -0.75 0.00 -0.20 -3.88 120.51 117.02 3kcx n ALA 73 Ca -0.02 -0.28 0.13 0.00 0.00 0.00 0.00 53.44 53.27 3kcx n ALA 73 Cb 0.13 -1.23 0.78 0.00 0.00 0.00 0.00 19.45 19.13 3kcx n ALA 73 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kcx h LEU 74 N 0.04 0.00 -1.10 0.00 3.38 -1.31 -1.26 115.31 115.05 3kcx h LEU 74 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3kcx h LEU 74 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3kcx h LEU 74 CO 0.00 0.08 -0.22 0.07 0.09 0.00 0.00 178.44 178.46 3kcx h LYS 75 N 0.00 0.00 -6.27 1.13 2.10 -1.78 -3.46 116.57 108.29 3kcx h LYS 75 Ca -0.00 0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 57.99 3kcx h LYS 75 Cb 0.22 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.58 3kcx h LYS 75 CO 0.01 0.22 0.89 0.91 -2.00 0.00 0.00 179.45 179.48 3kcx n TRP 76 N -3.38 2.11 -3.87 0.07 7.02 -0.48 -4.98 117.44 113.92 3kcx n TRP 76 Ca 0.00 0.31 0.00 0.00 -1.02 0.00 0.00 57.50 56.79 3kcx n TRP 76 Cb 0.43 -2.53 0.00 0.00 -2.42 0.00 0.00 31.31 26.79 3kcx n TRP 76 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 3kcx n ASP 77 N 5.06 1.60 0.18 -0.99 5.68 -1.26 -4.89 116.55 121.93 3kcx n ASP 77 Ca 0.22 -0.87 -0.14 0.00 -0.50 0.00 0.00 54.79 53.50 3kcx n ASP 77 Cb 0.23 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.13 3kcx n ASP 77 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3kcx h LEU 78 N 0.00 -0.39 -0.79 -2.12 3.38 -2.00 -2.85 115.31 110.54 3kcx h LEU 78 Ca 0.00 -0.12 0.10 0.00 0.09 0.00 0.00 57.88 57.95 3kcx h LEU 78 Cb 0.00 0.10 -0.12 0.00 0.09 0.00 0.00 40.66 40.73 3kcx h LEU 78 CO 0.00 -0.09 -0.50 -0.08 0.09 0.00 0.00 178.44 177.86 3kcx h GLU 79 N -0.70 -0.12 -0.77 1.13 4.81 -1.99 0.65 114.58 117.60 3kcx h GLU 79 Ca -0.05 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.26 3kcx h GLU 79 Cb 0.49 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 3kcx h GLU 79 CO 0.08 -0.08 0.45 -0.92 -0.73 0.00 0.00 179.01 177.81 3kcx h TYR 80 N -0.12 0.82 -0.12 0.92 3.20 -1.94 -1.06 116.97 118.67 3kcx h TYR 80 Ca 0.19 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.04 3kcx h TYR 80 Cb 0.52 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 3kcx h TYR 80 CO -0.86 0.39 -0.12 -0.07 -1.64 0.00 0.00 178.16 175.86 3kcx h LEU 81 N 0.80 0.31 -0.72 2.82 3.38 -0.91 -2.53 115.31 118.47 3kcx h LEU 81 Ca 0.35 -0.48 0.13 0.00 0.09 0.00 0.00 57.88 57.96 3kcx h LEU 81 Cb 0.22 -0.09 -0.13 0.00 0.09 0.00 0.00 40.66 40.75 3kcx h LEU 81 CO -0.19 0.73 -0.31 -0.61 0.09 0.00 0.00 178.44 178.14 3kcx h GLN 82 N -0.10 -0.09 0.00 1.13 5.75 -0.67 0.68 115.11 121.80 3kcx h GLN 82 Ca 0.02 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 3kcx h GLN 82 Cb 0.64 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.21 3kcx h GLN 82 CO 0.03 -0.06 0.00 1.49 -2.65 0.00 0.00 178.83 177.64 3kcx h GLU 83 N -0.09 0.00 0.00 1.69 4.57 -1.02 -3.37 114.58 116.35 3kcx h GLU 83 Ca 0.29 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 3kcx h GLU 83 Cb 0.57 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 3kcx h GLU 83 CO -0.77 0.00 -0.50 0.09 -1.18 0.00 0.00 179.01 176.64 3kcx n ASN 84 N -2.89 2.52 0.22 1.04 3.02 -0.26 -4.77 115.26 114.15 3kcx n ASN 84 Ca -0.01 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.65 3kcx n ASN 84 Cb 0.18 0.48 0.41 0.00 -0.61 0.00 0.00 39.78 40.24 3kcx n ASN 84 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3kcx h ILE 85 N 0.00 0.38 0.00 2.41 2.10 0.12 -2.76 117.51 119.77 3kcx h ILE 85 Ca 0.00 -1.10 0.00 0.00 1.08 0.00 0.00 64.86 64.84 3kcx h ILE 85 Cb 0.05 1.83 0.00 0.00 -1.09 0.00 0.00 36.82 37.61 3kcx h ILE 85 CO 0.00 0.17 0.00 0.61 -1.08 0.00 0.00 178.15 177.85 3kcx n GLY 86 N 0.41 -0.65 2.89 8.18 0.00 -1.26 -0.93 105.19 113.82 3kcx n GLY 86 Ca 0.01 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 3kcx n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kcx n ASN 87 N -1.20 5.09 -3.49 1.61 5.03 -1.26 -4.76 115.26 116.28 3kcx n ASN 87 Ca 0.00 -3.11 -0.16 0.00 0.87 0.00 0.00 54.58 52.18 3kcx n ASN 87 Cb 0.00 -1.48 -0.02 0.00 -1.02 0.00 0.00 39.78 37.26 3kcx n ASN 87 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kcx n GLY 88 N 2.84 3.40 3.65 7.41 0.00 -1.26 -5.11 105.19 116.12 3kcx n GLY 88 Ca 0.40 -2.27 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 3kcx n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kcx s ASP 89 N -2.62 5.96 -0.19 1.61 1.11 -1.26 -4.44 116.67 116.83 3kcx s ASP 89 Ca 0.08 0.09 0.01 0.00 0.18 0.00 0.00 52.55 52.91 3kcx s ASP 89 Cb -0.01 -2.06 0.02 0.00 1.07 0.00 0.00 42.92 41.94 3kcx s ASP 89 CO 0.05 0.09 -0.18 -0.36 1.18 0.00 0.00 175.17 175.95 3kcx s PHE 90 N 0.89 2.85 0.07 4.23 0.40 0.56 -4.93 117.98 122.05 3kcx s PHE 90 Ca 0.07 -1.69 -0.31 0.00 -0.60 0.00 0.00 56.93 54.40 3kcx s PHE 90 Cb -0.13 -1.93 -0.09 0.00 0.51 0.00 0.00 43.02 41.38 3kcx s PHE 90 CO 0.03 -0.81 1.71 -1.12 0.70 0.00 0.00 175.22 175.74 3kcx s SER 91 N 1.28 6.56 -0.14 1.36 0.01 -1.26 -2.63 113.70 118.88 3kcx s SER 91 Ca 0.03 2.54 -0.00 0.00 1.31 0.00 0.00 55.95 59.84 3kcx s SER 91 Cb -0.14 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.56 3kcx s SER 91 CO -0.12 -0.93 -0.09 -0.69 0.41 0.00 0.00 173.24 171.83 3kcx s VAL 92 N 2.86 1.21 0.14 3.43 1.01 -0.68 -2.79 120.40 125.59 3kcx s VAL 92 Ca 0.76 -0.47 -0.06 0.00 0.00 0.00 0.00 61.98 62.21 3kcx s VAL 92 Cb -0.41 -1.23 -0.06 0.00 0.00 0.00 0.00 36.38 34.68 3kcx s VAL 92 CO 0.34 0.34 0.40 -0.31 0.00 0.00 0.00 175.10 175.86 3kcx s TYR 93 N 1.62 3.49 -0.10 5.22 2.02 0.17 -0.92 117.35 128.85 3kcx s TYR 93 Ca 0.04 0.63 -0.04 0.00 -0.37 0.00 0.00 57.07 57.33 3kcx s TYR 93 Cb -0.13 -2.06 0.05 0.00 -0.40 0.00 0.00 41.96 39.42 3kcx s TYR 93 CO -0.09 0.43 0.22 0.45 -1.57 0.00 0.00 175.55 174.99 3kcx s SER 94 N -2.31 0.07 -0.00 2.29 0.15 -1.07 -1.33 113.70 111.50 3kcx s SER 94 Ca 0.40 0.48 -0.02 0.00 0.70 0.00 0.00 55.95 57.51 3kcx s SER 94 Cb -0.12 0.43 -0.00 0.00 -1.71 0.00 0.00 66.02 64.61 3kcx s SER 94 CO 0.23 -0.19 0.03 0.00 1.20 0.00 0.00 173.24 174.51 3kcx s ALA 95 N 1.70 -0.07 -1.26 5.45 0.00 -1.13 -1.15 121.76 125.29 3kcx s ALA 95 Ca -0.05 -0.11 -0.06 0.00 0.00 0.00 0.00 51.96 51.74 3kcx s ALA 95 Cb -0.11 0.01 0.17 0.00 0.00 0.00 0.00 23.12 23.19 3kcx s ALA 95 CO -0.08 -0.08 2.09 0.45 0.00 0.00 0.00 175.76 178.14 3kcx n SER 96 N 2.46 6.86 0.00 0.00 2.88 -1.26 -2.15 113.62 122.40 3kcx n SER 96 Ca -0.17 -3.20 0.00 0.00 -1.33 0.00 0.00 58.87 54.17 3kcx n SER 96 Cb 0.58 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 3kcx n SER 96 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 3kcx n THR 97 N 2.07 0.00 0.47 2.46 5.66 -1.26 -4.96 114.28 118.73 3kcx n THR 97 Ca 0.50 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.63 3kcx n THR 97 Cb 0.29 0.00 0.35 0.00 -1.55 0.00 0.00 70.33 69.42 3kcx n THR 97 CO 0.00 0.00 0.00 1.12 -3.05 0.00 0.00 175.07 173.14 3kcx h HIS 98 N 0.00 0.00 -3.63 1.09 -0.00 -1.88 -3.41 115.15 107.32 3kcx h HIS 98 Ca 0.00 0.00 -0.64 0.00 -0.00 0.00 0.00 60.37 59.73 3kcx h HIS 98 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 27.41 27.26 3kcx h HIS 98 CO 0.00 0.00 -0.10 0.15 -0.00 0.00 0.00 177.93 177.98 3kcx s LYS 99 N -3.17 3.77 -1.13 5.12 1.02 -1.26 -0.24 119.74 123.85 3kcx s LYS 99 Ca 0.09 -0.06 -0.09 0.00 0.02 0.00 0.00 55.97 55.93 3kcx s LYS 99 Cb 0.10 -3.75 0.27 0.00 -0.52 0.00 0.00 37.83 33.93 3kcx s LYS 99 CO 0.61 -0.51 1.22 1.19 -0.92 0.00 0.00 175.35 176.94 3kcx n PHE 100 N 5.60 4.78 -1.99 3.18 3.01 -0.11 -4.98 117.46 126.94 3kcx n PHE 100 Ca -0.06 -3.64 -0.39 0.00 1.01 0.00 0.00 57.45 54.37 3kcx n PHE 100 Cb 0.49 -1.70 -0.03 0.00 -0.01 0.00 0.00 39.48 38.23 3kcx n PHE 100 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3kcx s LEU 101 N -1.18 3.35 0.06 4.37 2.96 -1.26 -4.45 118.68 122.53 3kcx s LEU 101 Ca 0.32 0.61 -0.31 0.00 -0.22 0.00 0.00 54.13 54.54 3kcx s LEU 101 Cb -0.07 -2.75 -0.07 0.00 0.50 0.00 0.00 46.19 43.80 3kcx s LEU 101 CO -0.04 -2.27 1.49 -0.47 -1.32 0.00 0.00 176.35 173.74 3kcx s TYR 102 N 8.85 2.83 0.36 5.38 5.04 -1.26 -4.76 117.35 133.79 3kcx s TYR 102 Ca 0.72 0.68 0.08 0.00 -2.44 0.00 0.00 57.07 56.11 3kcx s TYR 102 Cb -0.15 -3.79 -0.04 0.00 0.35 0.00 0.00 41.96 38.34 3kcx s TYR 102 CO 0.24 -2.97 0.21 1.52 -1.34 0.00 0.00 175.55 173.21 3kcx s TYR 103 N 2.06 2.74 -0.17 4.97 1.13 -1.26 -4.69 117.35 122.12 3kcx s TYR 103 Ca 0.68 -0.40 -0.03 0.00 -1.41 0.00 0.00 57.07 55.91 3kcx s TYR 103 Cb -0.36 -1.77 -0.02 0.00 -1.10 0.00 0.00 41.96 38.71 3kcx s TYR 103 CO 0.30 0.24 -0.05 0.34 -2.51 0.00 0.00 175.55 173.86 3kcx s ASP 104 N -3.92 4.56 0.03 -0.18 -1.08 0.28 -5.00 116.67 111.36 3kcx s ASP 104 Ca 0.40 -0.22 -0.18 0.00 -0.52 0.00 0.00 52.55 52.02 3kcx s ASP 104 Cb -0.03 -1.75 -0.20 0.00 -1.46 0.00 0.00 42.92 39.49 3kcx s ASP 104 CO 0.24 0.12 1.19 -0.33 0.52 0.00 0.00 175.17 176.91 3kcx h GLU 105 N 7.04 0.49 -0.77 4.34 5.08 -2.00 -3.05 114.58 125.71 3kcx h GLU 105 Ca -0.32 -0.44 0.16 0.00 -1.00 0.00 0.00 59.36 57.76 3kcx h GLU 105 Cb 1.19 0.11 -0.14 0.00 0.50 0.00 0.00 28.75 30.40 3kcx h GLU 105 CO 0.61 1.08 -0.13 0.87 -1.00 0.00 0.00 179.01 180.44 3kcx h LYS 106 N 0.06 0.03 0.00 2.33 6.56 -1.99 -2.15 116.57 121.40 3kcx h LYS 106 Ca -0.05 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 3kcx h LYS 106 Cb 1.22 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 3kcx h LYS 106 CO 0.11 0.02 0.00 1.63 -2.06 0.00 0.00 179.45 179.15 3kcx n LYS 107 N -5.46 0.09 -0.18 3.15 5.02 -1.16 -3.64 118.16 115.99 3kcx n LYS 107 Ca 0.12 0.06 0.19 0.00 -2.02 0.00 0.00 58.31 56.66 3kcx n LYS 107 Cb 0.43 -1.50 0.56 0.00 -0.02 0.00 0.00 35.03 34.50 3kcx n LYS 107 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 3kcx h MET 108 N 0.00 0.30 -0.89 1.97 2.86 -1.36 0.33 114.93 118.14 3kcx h MET 108 Ca 0.00 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.66 3kcx h MET 108 Cb 0.39 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.93 3kcx h MET 108 CO 0.00 0.20 0.58 0.00 1.06 0.00 0.00 176.91 178.75 3kcx h ALA 109 N 1.63 1.44 -0.15 6.32 0.00 -1.77 -2.95 119.26 123.77 3kcx h ALA 109 Ca 0.41 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 3kcx h ALA 109 Cb 1.12 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3kcx h ALA 109 CO -0.11 0.47 0.03 -0.91 0.00 0.00 0.00 179.25 178.72 3kcx h ASN 110 N 1.11 0.19 -3.35 0.00 2.35 -1.19 -3.40 115.58 111.29 3kcx h ASN 110 Ca 0.35 -0.02 -0.55 0.00 -0.55 0.00 0.00 56.30 55.54 3kcx h ASN 110 Cb 0.02 -0.05 -0.39 0.00 0.05 0.00 0.00 38.32 37.95 3kcx h ASN 110 CO -0.11 0.21 -0.77 -0.36 -1.65 0.00 0.00 177.43 174.76 3kcx s PHE 111 N -5.06 1.42 -0.05 1.19 0.40 -1.11 -4.80 117.98 109.96 3kcx s PHE 111 Ca -0.06 -1.15 -0.22 0.00 -0.60 0.00 0.00 56.93 54.90 3kcx s PHE 111 Cb 0.17 -1.22 -0.30 0.00 0.51 0.00 0.00 43.02 42.17 3kcx s PHE 111 CO 0.71 -0.67 0.90 1.96 0.70 0.00 0.00 175.22 178.82 3kcx h GLN 112 N 8.16 0.28 -2.19 0.44 1.08 -1.79 -3.36 115.11 117.73 3kcx h GLN 112 Ca -0.16 -0.46 -0.04 0.00 -1.45 0.00 0.00 58.65 56.53 3kcx h GLN 112 Cb 1.10 0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 28.68 3kcx h GLN 112 CO 0.37 1.21 0.01 0.09 -0.95 0.00 0.00 178.83 179.55 3kcx n ASN 113 N -4.18 2.85 -3.51 1.46 3.02 -1.26 -4.56 115.26 109.07 3kcx n ASN 113 Ca -0.13 -1.87 -0.24 0.00 -0.03 0.00 0.00 54.58 52.31 3kcx n ASN 113 Cb 0.78 -0.67 -0.14 0.00 -0.61 0.00 0.00 39.78 39.14 3kcx n ASN 113 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3kcx s PHE 114 N 1.34 0.01 -0.03 3.10 5.36 -1.26 -5.12 117.98 121.38 3kcx s PHE 114 Ca 0.15 -0.40 -0.18 0.00 -0.96 0.00 0.00 56.93 55.54 3kcx s PHE 114 Cb 0.07 -0.66 -0.05 0.00 -0.34 0.00 0.00 43.02 42.04 3kcx s PHE 114 CO 0.00 -0.74 0.49 -1.59 -1.46 0.00 0.00 175.22 171.92 3kcx s LYS 115 N 2.21 4.19 0.20 10.12 -2.85 -1.26 -5.05 119.74 127.29 3kcx s LYS 115 Ca 0.07 0.54 -0.30 0.00 -1.00 0.00 0.00 55.97 55.28 3kcx s LYS 115 Cb -0.15 -3.32 -0.09 0.00 -2.06 0.00 0.00 37.83 32.20 3kcx s LYS 115 CO -0.26 0.43 1.40 -1.25 0.10 0.00 0.00 175.35 175.78 3kcx s PRO 116 N -0.30 4.31 0.00 1.78 0.04 -1.26 -4.92 135.00 134.65 3kcx s PRO 116 Ca 0.27 2.19 0.23 0.00 0.04 0.00 0.00 61.00 63.72 3kcx s PRO 116 Cb -0.17 -3.17 0.58 0.00 0.04 0.00 0.00 34.50 31.78 3kcx s PRO 116 CO 0.14 -0.39 1.50 0.54 0.04 0.00 0.00 177.00 178.82 3kcx n ARG 117 N 2.92 2.62 -3.52 4.56 1.74 -1.26 -4.79 116.66 118.94 3kcx n ARG 117 Ca 0.08 -2.50 -0.22 0.00 -0.77 0.00 0.00 57.85 54.44 3kcx n ARG 117 Cb 0.41 -1.55 -0.14 0.00 -1.02 0.00 0.00 32.46 30.17 3kcx n ARG 117 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kcx s SER 118 N -1.15 2.06 -0.23 0.55 1.04 -1.26 -4.44 113.70 110.26 3kcx s SER 118 Ca 0.46 -0.60 -0.10 0.00 0.48 0.00 0.00 55.95 56.19 3kcx s SER 118 Cb 0.24 0.11 -0.05 0.00 0.10 0.00 0.00 66.02 66.43 3kcx s SER 118 CO 0.33 -0.36 0.15 0.20 0.98 0.00 0.00 173.24 174.53 3kcx s ASN 119 N 2.24 6.04 0.80 7.02 0.01 -0.30 -4.77 114.94 125.98 3kcx s ASN 119 Ca 0.06 0.10 -0.11 0.00 -0.71 0.00 0.00 52.86 52.21 3kcx s ASN 119 Cb -0.16 -2.09 0.07 0.00 0.41 0.00 0.00 41.25 39.49 3kcx s ASN 119 CO -0.19 0.07 1.09 -0.60 -1.51 0.00 0.00 177.10 175.96 3kcx s ARG 120 N 1.00 2.07 -0.29 -0.60 3.52 -1.26 -2.59 118.95 120.79 3kcx s ARG 120 Ca 0.07 1.03 -0.14 0.00 -0.13 0.00 0.00 55.73 56.56 3kcx s ARG 120 Cb -0.13 -1.89 0.14 0.00 -1.56 0.00 0.00 34.95 31.51 3kcx s ARG 120 CO 0.04 -1.73 0.89 -2.00 -0.81 0.00 0.00 175.30 171.68 3kcx s GLU 121 N -4.94 0.42 0.44 5.12 2.12 -0.10 -4.94 118.70 116.82 3kcx s GLU 121 Ca 0.61 0.91 -0.22 0.00 0.36 0.00 0.00 54.97 56.63 3kcx s GLU 121 Cb -0.17 0.39 -0.09 0.00 0.26 0.00 0.00 34.13 34.53 3kcx s GLU 121 CO 0.56 -0.12 1.04 -1.21 -0.54 0.00 0.00 175.26 174.99 3kcx s GLU 122 N 2.14 3.99 0.16 4.30 0.41 -1.26 -1.68 118.70 126.76 3kcx s GLU 122 Ca -0.06 1.41 -0.15 0.00 -0.41 0.00 0.00 54.97 55.76 3kcx s GLU 122 Cb -0.06 -2.30 0.05 0.00 -1.78 0.00 0.00 34.13 30.04 3kcx s GLU 122 CO -0.17 -0.27 0.74 0.00 -0.49 0.00 0.00 175.26 175.06 3kcx n MET 123 N -0.54 0.53 -3.78 1.61 0.00 -1.08 -4.94 117.12 108.92 3kcx n MET 123 Ca 0.07 -1.17 -0.29 0.00 0.00 0.00 0.00 57.70 56.31 3kcx n MET 123 Cb 0.51 1.57 -0.04 0.00 0.00 0.00 0.00 33.22 35.26 3kcx n MET 123 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 3kcx s LYS 124 N -2.04 3.51 0.20 3.17 -0.14 -1.26 -0.32 119.74 122.86 3kcx s LYS 124 Ca 0.16 -0.35 -0.11 0.00 -1.36 0.00 0.00 55.97 54.31 3kcx s LYS 124 Cb -0.02 -2.90 0.26 0.00 -1.68 0.00 0.00 37.83 33.48 3kcx s LYS 124 CO 0.05 0.48 1.71 0.35 -0.76 0.00 0.00 175.35 177.17 3kcx h PHE 125 N 2.41 0.17 -0.69 3.18 3.57 -1.86 0.44 116.94 124.16 3kcx h PHE 125 Ca -0.47 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.11 3kcx h PHE 125 Cb 1.18 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.89 3kcx h PHE 125 CO 0.57 -0.03 0.45 1.12 -2.23 0.00 0.00 178.31 178.19 3kcx h HIS 126 N 0.24 0.77 -0.51 0.41 2.07 -1.95 0.80 115.15 116.98 3kcx h HIS 126 Ca 0.29 0.02 -0.11 0.00 -2.85 0.00 0.00 60.37 57.72 3kcx h HIS 126 Cb 0.43 -0.25 -0.02 0.00 2.57 0.00 0.00 27.41 30.13 3kcx h HIS 126 CO -0.25 0.43 -0.13 0.93 -3.07 0.00 0.00 177.93 175.84 3kcx h GLU 127 N 0.78 0.97 -0.19 5.12 5.08 -1.35 0.52 114.58 125.52 3kcx h GLU 127 Ca 0.28 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3kcx h GLU 127 Cb 0.14 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3kcx h GLU 127 CO -0.08 1.03 0.07 0.35 -1.00 0.00 0.00 179.01 179.38 3kcx h PHE 128 N 0.86 0.28 -0.29 4.33 3.57 -0.33 -1.72 116.94 123.64 3kcx h PHE 128 Ca 0.13 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 3kcx h PHE 128 Cb 0.69 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 3kcx h PHE 128 CO 0.04 0.34 -0.03 0.28 -2.23 0.00 0.00 178.31 176.72 3kcx h VAL 129 N 0.14 1.19 0.58 1.41 2.07 -0.70 -1.26 116.25 119.69 3kcx h VAL 129 Ca 0.06 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 3kcx h VAL 129 Cb 0.18 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3kcx h VAL 129 CO -0.00 0.25 -0.50 -0.33 0.02 0.00 0.00 177.57 177.01 3kcx h GLU 130 N 0.43 -1.02 0.00 1.57 5.08 0.27 -0.96 114.58 119.94 3kcx h GLU 130 Ca 0.09 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3kcx h GLU 130 Cb 0.33 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 3kcx h GLU 130 CO 0.01 -0.68 -0.05 0.87 -1.00 0.00 0.00 179.01 178.16 3kcx h LYS 131 N -1.06 0.00 0.37 2.33 1.57 -1.08 -1.56 116.57 117.14 3kcx h LYS 131 Ca -0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3kcx h LYS 131 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3kcx h LYS 131 CO -0.02 0.05 -0.18 1.25 -0.57 0.00 0.00 179.45 179.99 3kcx h LEU 132 N 0.00 -0.42 -0.62 2.94 7.12 -0.93 -2.55 115.31 120.85 3kcx h LEU 132 Ca -0.00 -0.04 0.05 0.00 0.13 0.00 0.00 57.88 58.02 3kcx h LEU 132 Cb 0.24 0.11 -0.05 0.00 -0.53 0.00 0.00 40.66 40.43 3kcx h LEU 132 CO 0.01 0.03 0.35 1.56 -0.13 0.00 0.00 178.44 180.25 3kcx h GLN 133 N -1.10 0.64 0.23 1.25 1.08 -0.99 -2.57 115.11 113.64 3kcx h GLN 133 Ca -0.05 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3kcx h GLN 133 Cb 0.43 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 3kcx h GLN 133 CO 0.08 0.42 -0.39 0.22 -0.95 0.00 0.00 178.83 178.21 3kcx h ASP 134 N 0.66 -1.14 -0.75 1.46 1.82 -1.41 0.20 116.42 117.26 3kcx h ASP 134 Ca 0.27 0.11 0.15 0.00 -0.39 0.00 0.00 57.03 57.16 3kcx h ASP 134 Cb 0.13 0.40 -0.14 0.00 0.68 0.00 0.00 39.33 40.40 3kcx h ASP 134 CO -0.16 -0.46 -0.21 0.40 -1.61 0.00 0.00 179.24 177.20 3kcx h ILE 135 N -0.67 0.23 -0.69 2.25 2.04 -1.30 0.30 117.51 119.67 3kcx h ILE 135 Ca -0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 3kcx h ILE 135 Cb 0.62 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3kcx h ILE 135 CO -0.14 0.00 0.36 1.56 0.00 0.00 0.00 178.15 179.94 3kcx h GLN 136 N -0.02 0.97 -0.08 2.37 4.20 -1.32 -1.10 115.11 120.14 3kcx h GLN 136 Ca 0.35 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.86 3kcx h GLN 136 Cb 0.56 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 3kcx h GLN 136 CO -0.78 0.74 -0.29 0.37 -0.67 0.00 0.00 178.83 178.20 3kcx h GLN 137 N 0.95 0.15 -0.73 1.46 4.15 0.14 -2.64 115.11 118.59 3kcx h GLN 137 Ca 0.24 -0.05 -0.37 0.00 0.77 0.00 0.00 58.65 59.24 3kcx h GLN 137 Cb 0.06 -0.01 -0.22 0.00 0.21 0.00 0.00 27.48 27.52 3kcx h GLN 137 CO -0.04 0.43 0.34 2.89 -1.93 0.00 0.00 178.83 180.53 3kcx n ARG 138 N -4.15 2.17 -3.00 1.69 1.85 0.76 -4.98 116.66 111.00 3kcx n ARG 138 Ca -0.01 -3.08 -0.18 0.00 -1.00 0.00 0.00 57.85 53.57 3kcx n ARG 138 Cb 0.37 -2.04 -0.03 0.00 -1.05 0.00 0.00 32.46 29.71 3kcx n ARG 138 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kcx n GLY 139 N -1.09 -0.34 3.83 2.89 0.00 -0.48 -4.89 105.19 105.11 3kcx n GLY 139 Ca 0.48 0.03 -0.31 0.00 0.00 0.00 0.00 46.02 46.23 3kcx n GLY 139 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kcx s GLY 140 N -2.17 1.65 0.18 -0.02 0.00 -0.80 -4.99 107.32 101.17 3kcx s GLY 140 Ca 0.35 -0.09 0.24 0.00 0.00 0.00 0.00 44.72 45.22 3kcx s GLY 140 CO 0.43 0.26 1.34 0.83 0.00 0.00 0.00 173.10 175.96 3kcx h GLU 141 N -0.80 0.00 -6.75 2.90 4.39 -1.91 -3.47 114.58 108.95 3kcx h GLU 141 Ca -0.45 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 58.72 3kcx h GLU 141 Cb 1.23 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 29.94 3kcx h GLU 141 CO 0.59 0.00 0.79 -2.00 -1.16 0.00 0.00 179.01 177.23 3kcx s GLU 142 N -3.21 4.24 0.34 2.33 2.12 -1.26 -4.01 118.70 119.25 3kcx s GLU 142 Ca 0.05 2.35 0.08 0.00 0.36 0.00 0.00 54.97 57.81 3kcx s GLU 142 Cb 0.12 -3.10 -0.07 0.00 0.26 0.00 0.00 34.13 31.34 3kcx s GLU 142 CO 0.72 -0.46 -0.06 1.03 -0.54 0.00 0.00 175.26 175.95 3kcx s ARG 143 N -0.31 1.76 0.01 4.30 0.52 -0.92 -5.00 118.95 119.31 3kcx s ARG 143 Ca 0.60 -1.92 -0.03 0.00 -0.52 0.00 0.00 55.73 53.87 3kcx s ARG 143 Cb -0.43 -1.49 -0.01 0.00 0.52 0.00 0.00 34.95 33.55 3kcx s ARG 143 CO 0.43 0.06 0.04 -0.51 0.02 0.00 0.00 175.30 175.34 3kcx s LEU 144 N -3.57 1.94 -0.05 2.53 1.43 -1.26 -2.84 118.68 116.85 3kcx s LEU 144 Ca 0.32 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.17 3kcx s LEU 144 Cb 0.04 0.28 0.01 0.00 0.03 0.00 0.00 46.19 46.56 3kcx s LEU 144 CO 0.15 -0.26 -0.13 -0.47 0.23 0.00 0.00 176.35 175.88 3kcx s TYR 145 N -1.11 1.42 -0.40 0.29 6.14 -0.44 -3.36 117.35 119.88 3kcx s TYR 145 Ca -0.12 -0.47 -0.14 0.00 0.64 0.00 0.00 57.07 56.98 3kcx s TYR 145 Cb -0.07 -1.02 0.02 0.00 0.42 0.00 0.00 41.96 41.31 3kcx s TYR 145 CO -0.00 -0.22 0.29 -1.17 0.64 0.00 0.00 175.55 175.09 3kcx s LEU 146 N 0.42 5.05 -0.35 6.97 0.20 0.27 -0.66 118.68 130.59 3kcx s LEU 146 Ca -0.10 -0.90 0.02 0.00 0.69 0.00 0.00 54.13 53.84 3kcx s LEU 146 Cb -0.13 -2.14 0.10 0.00 -0.43 0.00 0.00 46.19 43.58 3kcx s LEU 146 CO 0.03 -0.44 0.07 -1.10 -0.29 0.00 0.00 176.35 174.62 3kcx s GLN 147 N 1.67 1.75 -0.21 1.98 -0.21 -1.12 -1.67 119.66 121.85 3kcx s GLN 147 Ca 0.05 -1.77 -0.02 0.00 0.02 0.00 0.00 55.36 53.63 3kcx s GLN 147 Cb -0.19 -3.27 0.06 0.00 1.00 0.00 0.00 33.01 30.61 3kcx s GLN 147 CO 0.10 -0.92 0.03 -1.14 -2.12 0.00 0.00 175.29 171.24 3kcx s GLN 148 N 1.00 0.75 -0.65 2.91 2.00 -0.97 -4.41 119.66 120.30 3kcx s GLN 148 Ca 0.07 -0.52 -0.28 0.00 -2.00 0.00 0.00 55.36 52.63 3kcx s GLN 148 Cb -0.20 -2.15 -0.12 0.00 0.80 0.00 0.00 33.01 31.34 3kcx s GLN 148 CO -0.06 -0.66 2.50 2.41 -0.50 0.00 0.00 175.29 178.97 3kcx n THR 149 N 5.00 -0.05 -1.55 -0.34 -1.04 -1.26 -2.85 114.28 112.19 3kcx n THR 149 Ca -0.09 -0.52 -0.45 0.00 -2.04 0.00 0.00 64.05 60.95 3kcx n THR 149 Cb 0.46 -2.02 -0.04 0.00 -1.82 0.00 0.00 70.33 66.91 3kcx n THR 149 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3kcx n LEU 150 N 13.95 2.84 0.00 -4.42 4.77 -0.76 -4.89 117.00 128.49 3kcx n LEU 150 Ca 0.47 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.67 3kcx n LEU 150 Cb 0.37 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 3kcx n LEU 150 CO 0.79 -0.75 0.00 -0.46 -1.33 0.00 0.00 177.39 175.63 3kcx n ASN 151 N 11.37 0.00 0.00 -1.43 0.23 -1.26 -4.82 115.26 119.35 3kcx n ASN 151 Ca 0.34 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.39 3kcx n ASN 151 Cb 0.38 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 3kcx n ASN 151 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3kcx n ASP 152 N 0.00 0.64 0.00 0.53 8.00 -1.26 -4.86 116.55 119.60 3kcx n ASP 152 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3kcx n ASP 152 Cb 0.00 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 3kcx n ASP 152 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3kcx n THR 153 N -1.05 0.93 -2.54 -3.53 -2.24 -1.26 -4.78 114.28 99.81 3kcx n THR 153 Ca 0.00 0.36 -0.37 0.00 -2.27 0.00 0.00 64.05 61.77 3kcx n THR 153 Cb 0.07 -1.36 -0.04 0.00 -2.10 0.00 0.00 70.33 66.90 3kcx n THR 153 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3kcx s VAL 154 N -2.37 3.70 0.99 2.28 -7.23 -1.26 -4.67 120.40 111.84 3kcx s VAL 154 Ca 0.00 1.32 -0.11 0.00 -1.81 0.00 0.00 61.98 61.38 3kcx s VAL 154 Cb 0.00 -3.69 0.19 0.00 0.56 0.00 0.00 36.38 33.43 3kcx s VAL 154 CO 0.00 0.03 1.11 -0.83 -0.31 0.00 0.00 175.10 175.09 3kcx s GLY 155 N -1.52 1.64 0.20 2.32 0.00 -0.11 -4.76 107.32 105.09 3kcx s GLY 155 Ca 0.57 0.34 -0.11 0.00 0.00 0.00 0.00 44.72 45.53 3kcx s GLY 155 CO 0.28 0.86 1.86 3.21 0.00 0.00 0.00 173.10 179.31 3kcx h ARG 156 N -2.09 0.85 -0.53 2.90 2.47 -1.93 -2.09 114.38 113.96 3kcx h ARG 156 Ca -0.49 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.14 3kcx h ARG 156 Cb 1.29 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 29.39 3kcx h ARG 156 CO 0.45 0.56 0.17 0.87 0.56 0.00 0.00 179.97 182.58 3kcx h LYS 157 N 0.88 0.83 -0.51 0.04 6.56 -1.93 -1.54 116.57 120.89 3kcx h LYS 157 Ca 0.26 -0.18 -0.05 0.00 -1.06 0.00 0.00 60.65 59.62 3kcx h LYS 157 Cb -0.04 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.48 3kcx h LYS 157 CO -0.08 0.76 0.11 0.82 -2.06 0.00 0.00 179.45 179.00 3kcx h ILE 158 N 0.74 1.22 -0.47 1.86 1.08 -1.73 0.29 117.51 120.51 3kcx h ILE 158 Ca 0.17 -0.81 -0.06 0.00 -0.39 0.00 0.00 64.86 63.77 3kcx h ILE 158 Cb 0.28 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 34.72 3kcx h ILE 158 CO -0.01 0.30 0.03 0.58 -0.69 0.00 0.00 178.15 178.37 3kcx h VAL 159 N 0.76 1.23 -0.16 1.67 2.07 -1.15 0.15 116.25 120.82 3kcx h VAL 159 Ca 0.17 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 3kcx h VAL 159 Cb 0.30 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3kcx h VAL 159 CO 0.00 0.32 -0.13 0.24 0.02 0.00 0.00 177.57 178.03 3kcx h MET 160 N 0.71 0.37 -0.31 1.57 2.86 -0.19 -0.05 114.93 119.89 3kcx h MET 160 Ca 0.15 -0.18 0.06 0.00 -2.06 0.00 0.00 59.70 57.67 3kcx h MET 160 Cb 0.39 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.96 3kcx h MET 160 CO 0.01 0.72 -0.39 -0.44 1.06 0.00 0.00 176.91 177.87 3kcx h ASP 161 N 0.02 -1.27 -0.67 1.22 3.32 -0.32 -1.74 116.42 116.98 3kcx h ASP 161 Ca 0.03 0.19 0.14 0.00 0.02 0.00 0.00 57.03 57.41 3kcx h ASP 161 Cb 0.64 0.55 -0.10 0.00 0.22 0.00 0.00 39.33 40.64 3kcx h ASP 161 CO 0.03 -0.37 0.12 -0.26 -1.72 0.00 0.00 179.24 177.04 3kcx h PHE 162 N -0.35 0.18 -0.08 4.55 -1.00 -0.47 -0.91 116.94 118.86 3kcx h PHE 162 Ca 0.13 0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.93 3kcx h PHE 162 Cb 0.58 0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.16 3kcx h PHE 162 CO -0.55 -0.09 -0.06 -0.07 -1.61 0.00 0.00 178.31 175.93 3kcx h LEU 163 N 0.23 0.10 -0.25 1.54 3.38 -0.45 -1.71 115.31 118.15 3kcx h LEU 163 Ca 0.36 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3kcx h LEU 163 Cb 0.59 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3kcx h LEU 163 CO -0.48 0.18 -0.04 0.61 0.09 0.00 0.00 178.44 178.79 3kcx n GLY 164 N -1.21 -0.84 3.63 0.83 0.00 -0.36 -4.88 105.19 102.36 3kcx n GLY 164 Ca -0.02 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 3kcx n GLY 164 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kcx n PHE 165 N -0.82 0.56 -1.49 1.61 3.72 -0.65 -4.64 117.46 115.75 3kcx n PHE 165 Ca 0.18 0.37 -0.40 0.00 -0.05 0.00 0.00 57.45 57.56 3kcx n PHE 165 Cb 0.23 -1.99 -0.02 0.00 -0.94 0.00 0.00 39.48 36.76 3kcx n PHE 165 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3kcx n ASN 166 N -3.42 5.17 -0.21 4.37 2.85 0.44 -4.69 115.26 119.78 3kcx n ASN 166 Ca 0.12 -2.72 0.12 0.00 -0.11 0.00 0.00 54.58 51.99 3kcx n ASN 166 Cb 0.52 -1.54 0.42 0.00 1.24 0.00 0.00 39.78 40.42 3kcx n ASN 166 CO 0.00 0.00 0.00 -0.50 -2.11 0.00 0.00 177.26 174.65 3kcx h TRP 167 N 5.94 0.68 -0.64 1.20 4.06 -1.88 -0.16 115.95 125.15 3kcx h TRP 167 Ca 0.64 0.02 0.09 0.00 2.06 0.00 0.00 58.89 61.69 3kcx h TRP 167 Cb 0.51 -0.22 -0.07 0.00 -1.00 0.00 0.00 29.16 28.39 3kcx h TRP 167 CO 1.59 0.28 0.29 -0.97 -3.56 0.00 0.00 178.44 176.07 3kcx h ASN 168 N 0.60 0.36 -0.05 -3.49 -1.24 -2.00 -2.01 115.58 107.74 3kcx h ASN 168 Ca 0.39 0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.43 3kcx h ASN 168 Cb 0.67 0.01 -0.00 0.00 0.73 0.00 0.00 38.32 39.72 3kcx h ASN 168 CO -0.15 0.21 -0.08 -0.25 -1.29 0.00 0.00 177.43 175.87 3kcx h TRP 169 N 0.51 0.18 -0.01 0.67 7.01 -1.43 -3.00 115.95 119.89 3kcx h TRP 169 Ca 0.31 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.25 3kcx h TRP 169 Cb 0.34 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.36 3kcx h TRP 169 CO -0.13 0.65 -0.00 0.97 -2.79 0.00 0.00 178.44 177.14 3kcx h ILE 170 N -0.34 1.28 -0.19 2.65 2.10 -1.33 -2.39 117.51 119.28 3kcx h ILE 170 Ca 0.00 -0.83 0.06 0.00 1.08 0.00 0.00 64.86 65.17 3kcx h ILE 170 Cb 0.63 1.82 -0.01 0.00 -1.09 0.00 0.00 36.82 38.18 3kcx h ILE 170 CO 0.02 0.22 0.14 0.78 -1.08 0.00 0.00 178.15 178.23 3kcx h ASN 171 N -0.33 0.00 1.70 2.19 2.35 -1.48 0.37 115.58 120.37 3kcx h ASN 171 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3kcx h ASN 171 Cb 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3kcx h ASN 171 CO 0.00 0.00 -0.18 0.50 -1.65 0.00 0.00 177.43 176.10 3kcx h LYS 172 N 0.00 0.00 -0.07 0.81 3.64 -1.36 -2.15 116.57 117.44 3kcx h LYS 172 Ca 0.09 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.22 3kcx h LYS 172 Cb 0.38 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3kcx h LYS 172 CO -0.00 0.18 -0.92 1.96 -2.27 0.00 0.00 179.45 178.40 3kcx h GLN 173 N 0.00 0.73 -0.36 1.90 1.08 -0.45 -2.56 115.11 115.46 3kcx h GLN 173 Ca -0.00 -0.70 -0.01 0.00 -1.45 0.00 0.00 58.65 56.49 3kcx h GLN 173 Cb 1.08 0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 28.67 3kcx h GLN 173 CO 0.02 1.29 0.17 0.37 -0.95 0.00 0.00 178.83 179.73 3kcx h GLN 174 N 0.46 0.50 -0.00 1.46 4.15 -1.09 -1.47 115.11 119.12 3kcx h GLN 174 Ca -0.09 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.27 3kcx h GLN 174 Cb 1.56 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.15 3kcx h GLN 174 CO 0.18 0.39 -0.02 0.78 -1.93 0.00 0.00 178.83 178.23 3kcx h GLY 175 N 0.61 0.02 1.43 2.39 0.00 -1.39 -2.13 103.07 104.01 3kcx h GLY 175 Ca 0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 3kcx h GLY 175 CO -0.02 0.03 0.11 0.50 0.00 0.00 0.00 176.54 177.17 3kcx h LYS 176 N -0.66 0.72 -0.00 4.80 1.57 -1.31 -1.56 116.57 120.13 3kcx h LYS 176 Ca -0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3kcx h LYS 176 Cb 0.72 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3kcx h LYS 176 CO 0.00 0.66 -0.17 0.54 -0.57 0.00 0.00 179.45 179.91 3kcx n ARG 177 N -4.29 0.05 -1.43 3.15 5.12 -0.56 -4.90 116.66 113.79 3kcx n ARG 177 Ca 0.03 -0.02 -0.15 0.00 -1.93 0.00 0.00 57.85 55.79 3kcx n ARG 177 Cb 0.21 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 29.95 3kcx n ARG 177 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kcx n GLY 178 N 1.48 1.48 3.69 -0.13 0.00 -0.59 -4.64 105.19 106.49 3kcx n GLY 178 Ca 0.07 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 3kcx n GLY 178 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kcx s TRP 179 N -2.42 1.77 0.00 1.61 0.51 -0.83 -4.38 118.94 115.19 3kcx s TRP 179 Ca 0.00 1.68 0.00 0.00 -2.12 0.00 0.00 56.10 55.66 3kcx s TRP 179 Cb 0.00 -3.49 0.00 0.00 -0.81 0.00 0.00 33.47 29.17 3kcx s TRP 179 CO 0.00 -2.89 0.00 0.41 -0.51 0.00 0.00 176.95 173.96 3kcx n GLY 180 N 0.50 -0.38 3.83 0.98 0.00 -0.16 -4.81 105.19 105.15 3kcx n GLY 180 Ca 0.13 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 3kcx n GLY 180 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kcx s GLN 181 N 0.00 4.12 -0.31 1.61 -2.07 -1.26 -4.43 119.66 117.32 3kcx s GLN 181 Ca 0.00 0.84 -0.31 0.00 -1.82 0.00 0.00 55.36 54.07 3kcx s GLN 181 Cb 0.00 -2.46 -0.08 0.00 -1.09 0.00 0.00 33.01 29.38 3kcx s GLN 181 CO 0.00 0.16 2.24 -0.11 -1.32 0.00 0.00 175.29 176.26 3kcx n LEU 182 N -0.21 2.67 0.03 2.60 0.00 -1.26 -2.97 117.00 117.86 3kcx n LEU 182 Ca 0.03 0.20 -0.14 0.00 0.00 0.00 0.00 56.01 56.11 3kcx n LEU 182 Cb 0.53 -1.44 -0.14 0.00 0.00 0.00 0.00 43.42 42.37 3kcx n LEU 182 CO 0.41 -0.80 -0.41 0.71 0.00 0.00 0.00 177.39 177.29 3kcx h THR 183 N 7.21 1.04 -3.08 1.96 1.35 -1.24 -3.49 112.91 116.66 3kcx h THR 183 Ca -0.33 -2.76 -0.02 0.00 -0.55 0.00 0.00 66.41 62.75 3kcx h THR 183 Cb 1.28 2.63 -0.11 0.00 -1.73 0.00 0.00 68.15 70.21 3kcx h THR 183 CO 1.01 0.75 0.16 -0.94 -0.25 0.00 0.00 175.52 176.25 3kcx s SER 184 N -6.69 -0.47 -0.49 5.36 1.04 -1.23 -5.01 113.70 106.21 3kcx s SER 184 Ca -0.09 -0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.24 3kcx s SER 184 Cb 0.07 0.59 0.15 0.00 0.10 0.00 0.00 66.02 66.94 3kcx s SER 184 CO 0.83 -0.99 0.32 0.20 0.98 0.00 0.00 173.24 174.58 3kcx s ASN 185 N -2.78 3.22 0.59 7.02 -0.87 -1.26 -2.44 114.94 118.43 3kcx s ASN 185 Ca 0.03 -3.00 -0.16 0.00 -1.57 0.00 0.00 52.86 48.15 3kcx s ASN 185 Cb -0.01 -0.95 -0.03 0.00 -0.02 0.00 0.00 41.25 40.23 3kcx s ASN 185 CO -0.10 -0.20 1.08 -0.76 -2.57 0.00 0.00 177.10 174.54 3kcx s LEU 186 N -0.09 3.53 -0.06 0.60 1.02 -0.87 -1.82 118.68 120.99 3kcx s LEU 186 Ca 0.24 1.92 0.05 0.00 0.02 0.00 0.00 54.13 56.36 3kcx s LEU 186 Cb -0.11 -4.55 -0.01 0.00 0.02 0.00 0.00 46.19 41.54 3kcx s LEU 186 CO -0.09 -1.26 -0.22 -0.22 0.02 0.00 0.00 176.35 174.58 3kcx s LEU 187 N -4.41 2.01 -0.07 1.79 2.96 -1.13 -1.74 118.68 118.09 3kcx s LEU 187 Ca 0.66 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 3kcx s LEU 187 Cb -0.18 -1.24 0.01 0.00 0.50 0.00 0.00 46.19 45.27 3kcx s LEU 187 CO 0.35 0.19 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.66 3kcx s LEU 188 N 0.04 1.76 -0.06 -0.68 1.02 0.49 -2.29 118.68 118.97 3kcx s LEU 188 Ca -0.07 -0.36 0.00 0.00 0.02 0.00 0.00 54.13 53.72 3kcx s LEU 188 Cb -0.14 -0.96 0.02 0.00 0.02 0.00 0.00 46.19 45.14 3kcx s LEU 188 CO 0.04 0.07 -0.03 -0.63 0.02 0.00 0.00 176.35 175.83 3kcx s ILE 189 N 0.54 0.48 0.21 -0.59 1.01 -0.67 -1.16 121.20 121.02 3kcx s ILE 189 Ca -0.15 -0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.52 3kcx s ILE 189 Cb -0.16 -0.55 -0.02 0.00 0.01 0.00 0.00 42.46 41.74 3kcx s ILE 189 CO 0.05 0.24 0.15 0.61 0.00 0.00 0.00 174.94 175.99 3kcx n GLY 190 N 4.48 3.40 3.56 6.18 0.00 -1.09 0.97 105.19 122.70 3kcx n GLY 190 Ca -0.18 -1.85 -0.28 0.00 0.00 0.00 0.00 46.02 43.71 3kcx n GLY 190 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kcx s MET 191 N -2.85 2.05 0.44 1.61 -1.94 -1.21 -2.45 119.30 114.94 3kcx s MET 191 Ca 0.22 -1.16 -0.21 0.00 -1.71 0.00 0.00 55.69 52.82 3kcx s MET 191 Cb 0.01 -2.21 -0.13 0.00 2.01 0.00 0.00 34.83 34.51 3kcx s MET 191 CO 0.15 0.47 0.40 -0.85 -0.01 0.00 0.00 175.02 175.18 3kcx n GLU 192 N 0.40 0.40 -0.19 2.03 0.28 -1.14 -1.90 120.64 120.51 3kcx n GLU 192 Ca -0.12 0.15 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 3kcx n GLU 192 Cb 0.54 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 32.02 3kcx n GLU 192 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kcx n GLY 193 N 1.95 2.06 3.70 -1.84 0.00 -0.45 -4.91 105.19 105.70 3kcx n GLY 193 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 3kcx n GLY 193 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kcx n ASN 194 N 0.00 3.72 -4.48 1.61 3.02 -0.80 -4.69 115.26 113.64 3kcx n ASN 194 Ca 0.00 1.05 -0.33 0.00 -0.03 0.00 0.00 54.58 55.27 3kcx n ASN 194 Cb 0.00 -1.52 -0.13 0.00 -0.61 0.00 0.00 39.78 37.52 3kcx n ASN 194 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kcx s VAL 195 N 1.51 3.28 -0.34 2.41 1.01 0.67 -0.21 120.40 128.72 3kcx s VAL 195 Ca 0.78 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 62.07 3kcx s VAL 195 Cb -0.56 -2.33 0.04 0.00 0.00 0.00 0.00 36.38 33.52 3kcx s VAL 195 CO 0.36 0.57 0.12 -0.89 0.00 0.00 0.00 175.10 175.26 3kcx s THR 196 N -0.39 3.95 0.72 3.92 2.01 0.31 -0.93 115.64 125.23 3kcx s THR 196 Ca 0.05 -1.05 -0.12 0.00 0.31 0.00 0.00 61.69 60.88 3kcx s THR 196 Cb -0.12 -3.22 0.03 0.00 0.01 0.00 0.00 72.50 69.19 3kcx s THR 196 CO 0.02 -0.18 1.08 -2.16 -0.69 0.00 0.00 174.62 172.70 3kcx s PRO 197 N 1.44 2.64 0.17 4.92 0.04 -1.26 -0.66 135.00 142.29 3kcx s PRO 197 Ca -0.01 1.13 -0.33 0.00 0.04 0.00 0.00 61.00 61.83 3kcx s PRO 197 Cb -0.19 -1.95 -0.14 0.00 0.04 0.00 0.00 34.50 32.26 3kcx s PRO 197 CO 0.04 -1.34 1.45 0.00 0.04 0.00 0.00 177.00 177.18 3kcx n ALA 198 N -3.13 0.72 -3.58 8.56 0.00 -1.25 -4.73 120.51 117.10 3kcx n ALA 198 Ca 0.09 0.45 -0.10 0.00 0.00 0.00 0.00 53.44 53.88 3kcx n ALA 198 Cb 0.53 -2.25 -0.02 0.00 0.00 0.00 0.00 19.45 17.71 3kcx n ALA 198 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3kcx s HIS 199 N 0.44 -0.38 0.32 0.00 -3.43 -0.82 -1.19 115.29 110.22 3kcx s HIS 199 Ca 0.76 0.07 0.10 0.00 -0.80 0.00 0.00 55.06 55.19 3kcx s HIS 199 Cb -0.73 0.61 -0.06 0.00 -1.43 0.00 0.00 32.58 30.97 3kcx s HIS 199 CO 0.44 -1.00 -0.12 1.52 -2.00 0.00 0.00 174.74 173.58 3kcx s TYR 200 N -3.82 2.39 0.22 0.38 -0.85 -0.74 -1.11 117.35 113.82 3kcx s TYR 200 Ca 0.05 -0.42 0.09 0.00 -0.52 0.00 0.00 57.07 56.28 3kcx s TYR 200 Cb -0.03 -1.24 -0.05 0.00 0.38 0.00 0.00 41.96 41.03 3kcx s TYR 200 CO -0.05 0.63 -0.17 -0.51 -1.52 0.00 0.00 175.55 173.93 3kcx s ASP 201 N -3.59 2.92 0.00 -0.18 1.01 -1.26 -4.89 116.67 110.69 3kcx s ASP 201 Ca 0.32 -0.99 0.26 0.00 0.71 0.00 0.00 52.55 52.85 3kcx s ASP 201 Cb -0.01 -0.19 0.71 0.00 1.01 0.00 0.00 42.92 44.44 3kcx s ASP 201 CO 0.16 -0.07 1.54 -0.62 0.21 0.00 0.00 175.17 176.39 3kcx n GLU 202 N -0.30 0.65 -4.24 8.23 1.02 -1.26 -0.91 120.64 123.83 3kcx n GLU 202 Ca -0.08 -0.38 -0.31 0.00 -0.02 0.00 0.00 57.16 56.37 3kcx n GLU 202 Cb 0.59 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.43 3kcx n GLU 202 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3kcx s GLN 203 N -2.61 2.56 0.32 3.49 -0.21 -1.26 -4.61 119.66 117.35 3kcx s GLN 203 Ca 0.22 -0.78 -0.29 0.00 0.02 0.00 0.00 55.36 54.53 3kcx s GLN 203 Cb 0.19 -2.54 -0.11 0.00 1.00 0.00 0.00 33.01 31.55 3kcx s GLN 203 CO 0.56 0.57 1.54 -0.65 -2.12 0.00 0.00 175.29 175.18 3kcx s GLN 204 N -1.93 4.13 -0.05 2.91 -1.52 -0.21 -4.02 119.66 118.96 3kcx s GLN 204 Ca 0.22 2.55 0.02 0.00 -1.95 0.00 0.00 55.36 56.20 3kcx s GLN 204 Cb -0.11 -3.01 0.02 0.00 -0.22 0.00 0.00 33.01 29.68 3kcx s GLN 204 CO 0.14 -0.57 -0.08 1.21 -0.25 0.00 0.00 175.29 175.73 3kcx s ASN 205 N 0.21 1.30 -0.27 5.90 2.47 -0.68 -1.28 114.94 122.59 3kcx s ASN 205 Ca 0.59 -0.20 -0.08 0.00 0.42 0.00 0.00 52.86 53.58 3kcx s ASN 205 Cb -0.47 -0.57 -0.02 0.00 -1.45 0.00 0.00 41.25 38.75 3kcx s ASN 205 CO 0.54 0.00 0.10 -0.36 -3.72 0.00 0.00 177.10 173.66 3kcx s PHE 206 N 0.67 3.12 -0.42 0.43 0.08 -0.38 -0.88 117.98 120.61 3kcx s PHE 206 Ca -0.11 -0.47 -0.08 0.00 0.12 0.00 0.00 56.93 56.38 3kcx s PHE 206 Cb -0.14 -2.28 0.08 0.00 -0.57 0.00 0.00 43.02 40.12 3kcx s PHE 206 CO 0.02 -0.39 0.25 0.12 -0.10 0.00 0.00 175.22 175.11 3kcx s PHE 207 N 1.61 3.37 -0.44 0.36 2.19 -0.13 -1.78 117.98 123.17 3kcx s PHE 207 Ca 0.06 -1.69 -0.15 0.00 0.33 0.00 0.00 56.93 55.48 3kcx s PHE 207 Cb -0.16 -3.00 0.05 0.00 -1.31 0.00 0.00 43.02 38.61 3kcx s PHE 207 CO 0.05 -0.87 0.34 0.00 1.83 0.00 0.00 175.22 176.57 3kcx s ALA 208 N 1.38 3.50 0.28 11.12 0.00 -0.63 -0.99 121.76 136.43 3kcx s ALA 208 Ca 0.03 -1.94 -0.25 0.00 0.00 0.00 0.00 51.96 49.80 3kcx s ALA 208 Cb -0.23 -2.96 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 3kcx s ALA 208 CO 0.01 -1.60 0.89 -1.14 0.00 0.00 0.00 175.76 173.92 3kcx s GLN 209 N 1.64 4.56 0.09 0.00 2.00 0.47 -1.51 119.66 126.91 3kcx s GLN 209 Ca 0.04 1.25 0.00 0.00 -2.00 0.00 0.00 55.36 54.65 3kcx s GLN 209 Cb -0.22 -2.91 0.00 0.00 0.80 0.00 0.00 33.01 30.68 3kcx s GLN 209 CO 0.08 0.35 0.00 -0.89 -0.50 0.00 0.00 175.29 174.33 3kcx n ILE 210 N 0.78 0.33 -4.03 -2.34 5.41 -0.13 -1.67 119.36 117.71 3kcx n ILE 210 Ca 0.00 0.11 -0.14 0.00 1.00 0.00 0.00 62.75 63.72 3kcx n ILE 210 Cb 0.50 -1.10 -0.14 0.00 -0.71 0.00 0.00 39.64 38.19 3kcx n ILE 210 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 3kcx s LYS 211 N -2.00 0.24 0.04 0.38 2.20 -0.98 -4.36 119.74 115.27 3kcx s LYS 211 Ca 0.00 -0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.49 3kcx s LYS 211 Cb 0.00 -0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.09 3kcx s LYS 211 CO 0.00 0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.46 3kcx n GLY 212 N 2.97 -1.69 3.43 5.54 0.00 -1.25 0.38 105.19 114.57 3kcx n GLY 212 Ca -0.13 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 3kcx n GLY 212 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kcx s TYR 213 N -1.65 2.58 -0.05 1.61 1.51 -1.26 -4.07 117.35 116.02 3kcx s TYR 213 Ca 0.00 -0.25 0.03 0.00 -1.01 0.00 0.00 57.07 55.85 3kcx s TYR 213 Cb 0.00 -1.57 0.00 0.00 -0.11 0.00 0.00 41.96 40.28 3kcx s TYR 213 CO 0.00 0.14 -0.14 0.15 -1.11 0.00 0.00 175.55 174.59 3kcx s LYS 214 N -0.81 1.68 -0.20 -0.62 1.02 -0.26 -2.32 119.74 118.23 3kcx s LYS 214 Ca 0.12 -0.50 -0.20 0.00 0.02 0.00 0.00 55.97 55.41 3kcx s LYS 214 Cb -0.10 -1.43 -0.03 0.00 -0.52 0.00 0.00 37.83 35.75 3kcx s LYS 214 CO 0.01 0.14 0.57 0.50 -0.92 0.00 0.00 175.35 175.65 3kcx s ARG 215 N 0.30 4.20 -0.22 1.68 3.52 -0.04 -0.44 118.95 127.95 3kcx s ARG 215 Ca -0.08 0.51 -0.02 0.00 -0.13 0.00 0.00 55.73 56.00 3kcx s ARG 215 Cb -0.13 -3.57 0.01 0.00 -1.56 0.00 0.00 34.95 29.70 3kcx s ARG 215 CO 0.03 -0.19 -0.08 0.00 -0.81 0.00 0.00 175.30 174.25 3kcx s ILE 217 N 1.41 3.99 0.09 0.00 1.01 0.08 -1.16 121.20 126.61 3kcx s ILE 217 Ca 0.04 -0.29 0.09 0.00 0.00 0.00 0.00 60.65 60.49 3kcx s ILE 217 Cb -0.14 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 3kcx s ILE 217 CO -0.06 0.41 -0.22 -0.76 0.00 0.00 0.00 174.94 174.31 3kcx s LEU 218 N 1.19 2.47 -0.04 2.97 1.02 0.20 -0.98 118.68 125.52 3kcx s LEU 218 Ca 0.03 -0.58 0.02 0.00 0.02 0.00 0.00 54.13 53.62 3kcx s LEU 218 Cb -0.14 -1.40 0.01 0.00 0.02 0.00 0.00 46.19 44.67 3kcx s LEU 218 CO 0.02 0.21 -0.09 -0.36 0.02 0.00 0.00 176.35 176.15 3kcx s PHE 219 N -1.00 1.01 0.95 0.29 0.40 -0.65 -0.18 117.98 118.81 3kcx s PHE 219 Ca 0.15 -0.29 -0.11 0.00 -0.60 0.00 0.00 56.93 56.08 3kcx s PHE 219 Cb -0.10 -0.75 0.16 0.00 0.51 0.00 0.00 43.02 42.84 3kcx s PHE 219 CO 0.06 -0.15 1.09 -2.14 0.70 0.00 0.00 175.22 174.78 3kcx s PRO 220 N 0.40 0.79 0.59 0.24 0.02 -1.26 -0.83 135.00 134.96 3kcx s PRO 220 Ca -0.07 0.96 0.35 0.00 0.02 0.00 0.00 61.00 62.26 3kcx s PRO 220 Cb -0.11 -1.74 1.86 0.00 0.02 0.00 0.00 34.50 34.53 3kcx s PRO 220 CO 0.01 -2.60 2.20 -1.35 -0.33 0.00 0.00 177.00 174.93 3kcx h PRO 221 N -1.82 0.00 -0.15 5.54 0.11 -1.93 -2.42 132.00 131.33 3kcx h PRO 221 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kcx h PRO 221 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3kcx h PRO 221 CO 0.51 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 3kcx n ASP 222 N -3.37 0.15 -0.40 -2.05 5.68 -1.26 -1.71 116.55 113.58 3kcx n ASP 222 Ca -0.02 -1.39 0.09 0.00 -0.50 0.00 0.00 54.79 52.98 3kcx n ASP 222 Cb 0.16 -0.07 0.19 0.00 -1.14 0.00 0.00 41.12 40.26 3kcx n ASP 222 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kcx n GLN 223 N -0.36 1.93 -0.31 0.11 6.02 -0.91 -4.61 117.38 119.25 3kcx n GLN 223 Ca 0.00 -2.69 0.05 0.00 -0.01 0.00 0.00 57.00 54.34 3kcx n GLN 223 Cb 0.04 -1.64 0.13 0.00 1.02 0.00 0.00 30.24 29.79 3kcx n GLN 223 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 3kcx h PHE 224 N 0.72 -0.42 0.00 1.08 3.04 -1.54 -1.54 116.94 118.28 3kcx h PHE 224 Ca 0.00 0.08 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 3kcx h PHE 224 Cb 1.18 0.32 -0.00 0.00 2.56 0.00 0.00 35.95 40.01 3kcx h PHE 224 CO 0.21 -0.38 -0.05 0.93 -2.02 0.00 0.00 178.31 177.00 3kcx h GLU 225 N 0.01 0.00 0.00 1.11 5.08 -1.87 -1.53 114.58 117.37 3kcx h GLU 225 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 3kcx h GLU 225 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3kcx h GLU 225 CO -0.90 0.05 -0.70 0.00 -1.00 0.00 0.00 179.01 176.47 3kcx n LEU 227 N -1.56 0.00 -3.40 0.00 4.77 -0.60 -3.42 117.00 112.78 3kcx n LEU 227 Ca 0.05 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.87 3kcx n LEU 227 Cb 0.35 0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.47 3kcx n LEU 227 CO 0.38 0.02 0.07 -1.22 -1.33 0.00 0.00 177.39 175.31 3kcx n TYR 228 N -2.17 -2.44 -1.88 -1.77 4.01 -1.08 -3.46 117.16 108.37 3kcx n TYR 228 Ca -0.04 0.86 -0.41 0.00 -0.16 0.00 0.00 57.90 58.14 3kcx n TYR 228 Cb 0.51 -3.65 -0.01 0.00 -0.31 0.00 0.00 39.34 35.88 3kcx n TYR 228 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3kcx s PRO 229 N -4.37 4.18 0.58 -0.72 0.04 -1.26 -1.03 135.00 132.42 3kcx s PRO 229 Ca 0.18 2.48 -0.16 0.00 0.04 0.00 0.00 61.00 63.54 3kcx s PRO 229 Cb -0.05 -3.01 -0.13 0.00 0.04 0.00 0.00 34.50 31.35 3kcx s PRO 229 CO 0.81 -0.46 -0.30 0.66 0.04 0.00 0.00 177.00 177.75 3kcx n TYR 230 N 0.85 -3.22 -1.65 0.56 4.02 -0.85 -4.85 117.16 112.02 3kcx n TYR 230 Ca 0.02 0.27 -0.42 0.00 -0.01 0.00 0.00 57.90 57.76 3kcx n TYR 230 Cb 0.40 -1.43 -0.00 0.00 -0.02 0.00 0.00 39.34 38.28 3kcx n TYR 230 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 3kcx n PRO 231 N 1.61 1.72 -0.35 -0.72 -0.02 -1.26 -4.41 135.00 131.58 3kcx n PRO 231 Ca 0.04 0.61 0.13 0.00 -2.02 0.00 0.00 63.50 62.26 3kcx n PRO 231 Cb 0.44 -2.15 0.32 0.00 -0.02 0.00 0.00 33.50 32.10 3kcx n PRO 231 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kcx h VAL 232 N 2.09 0.70 0.00 -1.45 2.07 -1.96 0.27 116.25 117.97 3kcx h VAL 232 Ca -0.44 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3kcx h VAL 232 Cb 1.31 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3kcx h VAL 232 CO 0.60 0.14 0.00 1.41 0.02 0.00 0.00 177.57 179.74 3kcx n HIS 233 N -4.78 0.00 -2.50 1.57 8.25 -1.26 -4.64 115.22 111.85 3kcx n HIS 233 Ca 0.23 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.32 3kcx n HIS 233 Cb 0.57 -0.35 -0.04 0.00 1.12 0.00 0.00 29.99 31.30 3kcx n HIS 233 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3kcx s HIS 234 N -2.69 3.32 0.16 4.41 5.04 0.95 -4.78 115.29 121.69 3kcx s HIS 234 Ca 0.23 1.65 0.31 0.00 -1.54 0.00 0.00 55.06 55.71 3kcx s HIS 234 Cb 0.19 -3.19 1.69 0.00 0.04 0.00 0.00 32.58 31.31 3kcx s HIS 234 CO 0.45 -0.68 1.95 -1.00 -2.34 0.00 0.00 174.74 173.12 3kcx h PRO 235 N 2.81 0.00 -0.64 2.88 0.13 -1.84 0.18 132.00 135.52 3kcx h PRO 235 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3kcx h PRO 235 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3kcx h PRO 235 CO 0.63 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 3kcx n ASP 237 N 0.85 0.29 0.00 0.00 2.03 0.64 -0.59 116.55 119.77 3kcx n ASP 237 Ca 0.23 0.73 0.00 0.00 0.52 0.00 0.00 54.79 56.27 3kcx n ASP 237 Cb 0.87 -0.56 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 3kcx n ASP 237 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3kcx n ARG 238 N 1.53 0.00 -3.65 -0.67 1.74 -1.26 -5.01 116.66 109.34 3kcx n ARG 238 Ca 0.15 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.92 3kcx n ARG 238 Cb 0.02 -0.92 -0.05 0.00 -1.02 0.00 0.00 32.46 30.49 3kcx n ARG 238 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3kcx s GLN 239 N -0.53 3.63 0.40 5.56 -0.21 0.24 -1.79 119.66 126.96 3kcx s GLN 239 Ca 0.00 -0.07 -0.26 0.00 0.02 0.00 0.00 55.36 55.05 3kcx s GLN 239 Cb 0.00 -2.83 -0.09 0.00 1.00 0.00 0.00 33.01 31.10 3kcx s GLN 239 CO 0.00 0.45 1.25 0.45 -2.12 0.00 0.00 175.29 175.32 3kcx s SER 240 N -2.47 6.43 0.06 5.90 0.15 -0.33 -2.01 113.70 121.43 3kcx s SER 240 Ca 0.42 2.54 0.27 0.00 0.70 0.00 0.00 55.95 59.88 3kcx s SER 240 Cb -0.12 -2.63 0.91 0.00 -1.71 0.00 0.00 66.02 62.47 3kcx s SER 240 CO 0.25 -0.75 1.73 0.00 1.20 0.00 0.00 173.24 175.66 3kcx n GLN 241 N 0.18 0.09 -2.84 5.44 6.02 -0.19 -4.81 117.38 121.27 3kcx n GLN 241 Ca 0.04 0.06 -0.42 0.00 -0.01 0.00 0.00 57.00 56.66 3kcx n GLN 241 Cb 0.44 -1.59 -0.04 0.00 1.02 0.00 0.00 30.24 30.08 3kcx n GLN 241 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3kcx s VAL 242 N -3.04 4.85 -0.67 5.09 1.01 -1.26 -4.98 120.40 121.40 3kcx s VAL 242 Ca 0.12 1.73 -0.27 0.00 0.00 0.00 0.00 61.98 63.56 3kcx s VAL 242 Cb 0.17 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 32.38 3kcx s VAL 242 CO 0.60 0.01 1.45 -0.62 0.00 0.00 0.00 175.10 176.54 3kcx s ASP 243 N 1.15 5.93 0.53 3.32 -1.08 -1.26 -4.90 116.67 120.35 3kcx s ASP 243 Ca 0.40 -0.09 0.26 0.00 -0.52 0.00 0.00 52.55 52.59 3kcx s ASP 243 Cb -0.17 -2.55 1.40 0.00 -1.46 0.00 0.00 42.92 40.14 3kcx s ASP 243 CO 0.13 -1.95 1.99 -0.26 0.52 0.00 0.00 175.17 175.60 3kcx h PHE 244 N 11.49 0.00 0.00 -5.34 -1.00 -1.98 0.33 116.94 120.44 3kcx h PHE 244 Ca -0.27 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.48 3kcx h PHE 244 Cb 1.09 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.64 3kcx h PHE 244 CO 1.09 0.00 -0.15 -0.44 -1.61 0.00 0.00 178.31 177.19 3kcx h ASP 245 N 0.00 0.00 -1.17 2.17 3.32 -1.92 -3.40 116.42 115.42 3kcx h ASP 245 Ca 0.26 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.93 3kcx h ASP 245 Cb 1.04 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.32 3kcx h ASP 245 CO -0.00 0.15 -0.78 -3.20 -1.72 0.00 0.00 179.24 173.69 3kcx n ASN 246 N -3.19 -1.54 -4.74 6.45 5.15 0.03 -5.10 115.26 112.31 3kcx n ASN 246 Ca 0.02 -2.91 -0.41 0.00 -0.60 0.00 0.00 54.58 50.68 3kcx n ASN 246 Cb 0.50 0.61 -0.03 0.00 -0.53 0.00 0.00 39.78 40.34 3kcx n ASN 246 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3kcx s PRO 247 N -0.05 4.34 -0.83 1.20 0.05 -0.72 -4.58 135.00 134.41 3kcx s PRO 247 Ca 0.33 2.16 -0.16 0.00 0.05 0.00 0.00 61.00 63.38 3kcx s PRO 247 Cb 0.15 -3.15 0.17 0.00 0.05 0.00 0.00 34.50 31.73 3kcx s PRO 247 CO -0.17 -0.30 0.88 0.34 0.05 0.00 0.00 177.00 177.80 3kcx s ASP 248 N 0.25 6.64 0.33 6.66 -1.08 -1.26 -4.89 116.67 123.32 3kcx s ASP 248 Ca 0.57 -2.32 0.26 0.00 -0.52 0.00 0.00 52.55 50.54 3kcx s ASP 248 Cb -0.39 -2.29 1.07 0.00 -1.46 0.00 0.00 42.92 39.85 3kcx s ASP 248 CO 0.42 -0.81 1.78 1.88 0.52 0.00 0.00 175.17 178.96 3kcx h TYR 249 N 8.32 0.00 0.06 -5.34 0.05 -1.93 0.23 116.97 118.36 3kcx h TYR 249 Ca 0.07 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.85 3kcx h TYR 249 Cb 1.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.78 3kcx h TYR 249 CO 1.05 0.00 -0.03 0.93 -1.05 0.00 0.00 178.16 179.07 3kcx h GLU 250 N 0.00 -0.07 0.00 4.88 5.08 -1.96 -2.89 114.58 119.61 3kcx h GLU 250 Ca 0.00 0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 3kcx h GLU 250 Cb 0.41 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3kcx h GLU 250 CO 0.00 0.43 -0.67 0.00 -1.00 0.00 0.00 179.01 177.77 3kcx h ARG 251 N -0.62 0.00 -2.12 2.33 3.08 -1.87 -3.38 114.38 111.79 3kcx h ARG 251 Ca -0.01 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.50 3kcx h ARG 251 Cb 0.54 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.18 3kcx h ARG 251 CO 0.01 0.67 -0.93 1.19 -1.07 0.00 0.00 179.97 179.84 3kcx n PHE 252 N -3.70 1.82 -0.36 3.04 3.72 0.78 -4.96 117.46 117.80 3kcx n PHE 252 Ca -0.01 -3.88 0.03 0.00 -0.05 0.00 0.00 57.45 53.54 3kcx n PHE 252 Cb 0.67 -0.45 0.18 0.00 -0.94 0.00 0.00 39.48 38.94 3kcx n PHE 252 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3kcx h PRO 253 N 3.26 1.11 0.00 -1.08 0.13 -1.71 -1.56 132.00 132.16 3kcx h PRO 253 Ca 0.12 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3kcx h PRO 253 Cb 0.76 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.64 3kcx h PRO 253 CO 0.64 0.73 0.00 0.09 -0.23 0.00 0.00 178.00 179.23 3kcx n ASN 254 N -4.53 0.00 -0.17 1.44 5.03 -1.26 -1.94 115.26 113.83 3kcx n ASN 254 Ca 0.16 -0.39 0.05 0.00 0.87 0.00 0.00 54.58 55.26 3kcx n ASN 254 Cb 0.20 -0.12 0.34 0.00 -1.02 0.00 0.00 39.78 39.17 3kcx n ASN 254 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 3kcx h PHE 255 N 0.00 0.78 0.00 3.10 3.57 -1.30 -0.36 116.94 122.73 3kcx h PHE 255 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3kcx h PHE 255 Cb 0.08 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.56 3kcx h PHE 255 CO 0.00 0.44 0.21 1.04 -2.23 0.00 0.00 178.31 177.77 3kcx n GLN 256 N -4.47 0.04 -0.08 1.11 6.02 -0.82 -0.86 117.38 118.32 3kcx n GLN 256 Ca 0.09 0.44 0.07 0.00 -0.01 0.00 0.00 57.00 57.60 3kcx n GLN 256 Cb 0.17 -1.85 0.11 0.00 1.02 0.00 0.00 30.24 29.69 3kcx n GLN 256 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kcx n ASN 257 N -1.67 2.59 -4.73 1.08 4.13 -0.15 -5.01 115.26 111.51 3kcx n ASN 257 Ca -0.00 -1.75 -0.41 0.00 1.68 0.00 0.00 54.58 54.09 3kcx n ASN 257 Cb 0.22 -0.11 -0.03 0.00 -1.54 0.00 0.00 39.78 38.32 3kcx n ASN 257 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3kcx s VAL 258 N -1.16 3.73 -0.14 2.41 0.11 -0.04 -5.02 120.40 120.29 3kcx s VAL 258 Ca 0.22 1.38 -0.00 0.00 -2.93 0.00 0.00 61.98 60.66 3kcx s VAL 258 Cb 0.14 -3.89 0.03 0.00 -1.53 0.00 0.00 36.38 31.13 3kcx s VAL 258 CO 0.20 0.19 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.37 3kcx s VAL 259 N 0.28 1.24 0.41 2.04 1.01 -1.26 -4.29 120.40 119.84 3kcx s VAL 259 Ca 0.54 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 62.09 3kcx s VAL 259 Cb -0.31 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.81 3kcx s VAL 259 CO 0.34 0.34 0.57 -0.83 0.00 0.00 0.00 175.10 175.52 3kcx s GLY 260 N 1.61 1.75 -0.12 4.51 0.00 -1.10 -4.75 107.32 109.23 3kcx s GLY 260 Ca 0.04 -1.47 0.01 0.00 0.00 0.00 0.00 44.72 43.30 3kcx s GLY 260 CO -0.09 -1.31 -0.14 -0.19 0.00 0.00 0.00 173.10 171.36 3kcx s TYR 261 N -2.36 2.77 0.14 1.90 2.02 0.75 -0.67 117.35 121.90 3kcx s TYR 261 Ca 0.51 -0.62 0.09 0.00 -0.37 0.00 0.00 57.07 56.68 3kcx s TYR 261 Cb -0.10 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.62 3kcx s TYR 261 CO 0.34 -0.18 -0.20 -2.00 -1.57 0.00 0.00 175.55 171.94 3kcx s GLU 262 N 0.21 1.24 0.20 -0.62 2.12 0.29 0.60 118.70 122.74 3kcx s GLU 262 Ca -0.09 -1.32 -0.23 0.00 0.36 0.00 0.00 54.97 53.69 3kcx s GLU 262 Cb -0.15 -1.41 0.05 0.00 0.26 0.00 0.00 34.13 32.88 3kcx s GLU 262 CO 0.05 0.31 0.74 -0.08 -0.54 0.00 0.00 175.26 175.74 3kcx s THR 263 N -1.65 0.00 -0.18 -1.70 -1.32 -0.31 -1.56 115.64 108.92 3kcx s THR 263 Ca 0.12 -0.55 0.01 0.00 -1.21 0.00 0.00 61.69 60.06 3kcx s THR 263 Cb -0.08 -1.61 0.02 0.00 -1.51 0.00 0.00 72.50 69.33 3kcx s THR 263 CO 0.06 0.00 -0.19 -0.69 -2.21 0.00 0.00 174.62 171.59 3kcx s VAL 264 N -3.69 2.05 -0.09 5.08 1.01 -1.26 -0.91 120.40 122.59 3kcx s VAL 264 Ca 0.08 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 3kcx s VAL 264 Cb -0.03 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 3kcx s VAL 264 CO -0.01 0.50 0.09 0.68 0.00 0.00 0.00 175.10 176.36 3kcx s VAL 265 N 1.28 5.04 0.39 2.92 -7.23 0.42 -4.94 120.40 118.28 3kcx s VAL 265 Ca 0.04 -0.02 0.05 0.00 -1.81 0.00 0.00 61.98 60.23 3kcx s VAL 265 Cb -0.13 -3.20 -0.02 0.00 0.56 0.00 0.00 36.38 33.59 3kcx s VAL 265 CO -0.12 0.57 0.17 0.61 -0.31 0.00 0.00 175.10 176.01 3kcx n GLY 266 N 1.89 3.19 3.70 2.32 0.00 -1.26 -1.10 105.19 113.93 3kcx n GLY 266 Ca -0.18 -2.07 -0.56 0.00 0.00 0.00 0.00 46.02 43.20 3kcx n GLY 266 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kcx n PRO 267 N -0.86 1.25 0.00 1.61 -0.02 -1.26 -0.35 135.00 135.37 3kcx n PRO 267 Ca -0.03 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3kcx n PRO 267 Cb 0.60 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 3kcx n PRO 267 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kcx n GLY 268 N 4.12 3.11 3.78 -1.23 0.00 -0.67 -4.94 105.19 109.36 3kcx n GLY 268 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 3kcx n GLY 268 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kcx s ASP 269 N -1.19 7.26 -0.19 1.61 1.01 0.52 -4.59 116.67 121.10 3kcx s ASP 269 Ca 0.00 1.49 -0.02 0.00 0.71 0.00 0.00 52.55 54.74 3kcx s ASP 269 Cb 0.00 -2.45 -0.00 0.00 1.01 0.00 0.00 42.92 41.47 3kcx s ASP 269 CO 0.00 0.18 -0.10 -0.69 0.21 0.00 0.00 175.17 174.77 3kcx s VAL 270 N -0.87 2.97 -0.26 -1.27 1.01 -0.98 -0.39 120.40 120.61 3kcx s VAL 270 Ca 0.34 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.55 3kcx s VAL 270 Cb -0.22 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3kcx s VAL 270 CO 0.23 0.47 0.32 -0.22 0.00 0.00 0.00 175.10 175.91 3kcx s LEU 271 N 1.21 4.06 -0.38 3.92 2.96 -0.16 0.19 118.68 130.48 3kcx s LEU 271 Ca 0.02 0.24 -0.29 0.00 -0.22 0.00 0.00 54.13 53.89 3kcx s LEU 271 Cb -0.14 -2.35 0.02 0.00 0.50 0.00 0.00 46.19 44.22 3kcx s LEU 271 CO -0.04 -0.12 1.15 -0.47 -1.32 0.00 0.00 176.35 175.56 3kcx s TYR 272 N 1.80 2.91 -0.50 5.38 5.04 -0.12 -0.95 117.35 130.91 3kcx s TYR 272 Ca 0.13 0.95 -0.14 0.00 -2.44 0.00 0.00 57.07 55.56 3kcx s TYR 272 Cb -0.15 -4.03 0.11 0.00 0.35 0.00 0.00 41.96 38.24 3kcx s TYR 272 CO 0.09 -1.17 0.42 0.42 -1.34 0.00 0.00 175.55 173.98 3kcx s ILE 273 N 4.15 4.99 0.64 3.14 1.01 -0.06 -3.44 121.20 131.64 3kcx s ILE 273 Ca 0.49 -1.40 -0.17 0.00 0.00 0.00 0.00 60.65 59.57 3kcx s ILE 273 Cb -0.11 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.22 3kcx s ILE 273 CO 0.23 -0.74 1.19 -2.84 0.00 0.00 0.00 174.94 172.78 3kcx s PRO 274 N 1.56 2.70 0.02 2.79 0.02 -1.26 -1.68 135.00 139.15 3kcx s PRO 274 Ca 0.04 1.71 -0.39 0.00 0.02 0.00 0.00 61.00 62.38 3kcx s PRO 274 Cb -0.27 -1.91 -0.19 0.00 0.02 0.00 0.00 34.50 32.16 3kcx s PRO 274 CO 0.03 -1.39 1.21 -0.12 -0.33 0.00 0.00 177.00 176.40 3kcx n MET 275 N -2.08 0.50 -0.17 5.54 1.56 -1.26 -2.05 117.12 119.16 3kcx n MET 275 Ca 0.13 0.18 0.00 0.00 -0.27 0.00 0.00 57.70 57.74 3kcx n MET 275 Cb 0.50 -1.74 0.00 0.00 2.15 0.00 0.00 33.22 34.13 3kcx n MET 275 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 3kcx n TYR 276 N 2.05 0.00 -2.31 1.12 4.01 -0.09 -4.96 117.16 116.98 3kcx n TYR 276 Ca 0.20 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.53 3kcx n TYR 276 Cb 0.12 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 3kcx n TYR 276 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3kcx s TRP 277 N -3.06 3.35 0.45 -0.72 0.52 -0.87 -4.26 118.94 114.35 3kcx s TRP 277 Ca 0.00 1.50 -0.23 0.00 0.02 0.00 0.00 56.10 57.39 3kcx s TRP 277 Cb 0.00 -3.47 -0.08 0.00 -1.15 0.00 0.00 33.47 28.77 3kcx s TRP 277 CO 0.00 -1.25 1.11 -1.58 0.02 0.00 0.00 176.95 175.25 3kcx s TRP 278 N -0.79 3.02 -0.02 -1.98 0.52 -0.01 -4.30 118.94 115.38 3kcx s TRP 278 Ca 0.49 1.58 -0.02 0.00 0.02 0.00 0.00 56.10 58.16 3kcx s TRP 278 Cb -0.35 -3.25 0.00 0.00 -1.15 0.00 0.00 33.47 28.73 3kcx s TRP 278 CO 0.44 -1.11 0.06 -3.38 0.02 0.00 0.00 176.95 172.98 3kcx s HIS 279 N -1.65 -0.05 -0.06 -1.98 -3.43 -0.26 -1.63 115.29 106.23 3kcx s HIS 279 Ca 0.62 0.12 0.02 0.00 -0.80 0.00 0.00 55.06 55.02 3kcx s HIS 279 Cb -0.24 0.01 0.02 0.00 -1.43 0.00 0.00 32.58 30.93 3kcx s HIS 279 CO 0.30 -0.06 -0.09 -1.58 -2.00 0.00 0.00 174.74 171.32 3kcx s HIS 280 N -0.13 1.14 -0.04 0.38 5.04 -0.15 -1.95 115.29 119.59 3kcx s HIS 280 Ca -0.02 -0.40 0.01 0.00 -1.54 0.00 0.00 55.06 53.12 3kcx s HIS 280 Cb -0.01 -0.90 0.02 0.00 0.04 0.00 0.00 32.58 31.73 3kcx s HIS 280 CO 0.00 -0.25 -0.05 0.42 -2.34 0.00 0.00 174.74 172.52 3kcx s ILE 281 N 0.81 0.55 -0.01 0.89 1.01 0.17 -0.74 121.20 123.87 3kcx s ILE 281 Ca -0.12 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.37 3kcx s ILE 281 Cb -0.15 -0.55 0.01 0.00 0.01 0.00 0.00 42.46 41.77 3kcx s ILE 281 CO 0.02 0.22 -0.01 -1.83 0.00 0.00 0.00 174.94 173.33 3kcx s GLU 282 N 0.72 0.22 0.02 2.79 -1.05 -0.46 0.11 118.70 121.06 3kcx s GLU 282 Ca -0.10 -0.02 -0.26 0.00 -0.15 0.00 0.00 54.97 54.45 3kcx s GLU 282 Cb -0.13 -0.30 -0.05 0.00 -0.44 0.00 0.00 34.13 33.22 3kcx s GLU 282 CO 0.00 -0.03 0.79 -1.12 0.95 0.00 0.00 175.26 175.86 3kcx s SER 283 N 0.38 7.21 0.25 0.83 0.01 0.71 -0.86 113.70 122.22 3kcx s SER 283 Ca -0.04 1.44 -0.31 0.00 1.31 0.00 0.00 55.95 58.36 3kcx s SER 283 Cb -0.06 -2.48 -0.13 0.00 0.21 0.00 0.00 66.02 63.56 3kcx s SER 283 CO -0.01 -0.05 1.45 0.18 0.41 0.00 0.00 173.24 175.22 3kcx n LEU 284 N 3.15 3.35 -4.72 2.44 4.77 -0.98 -1.34 117.00 123.66 3kcx n LEU 284 Ca -0.01 1.14 -0.41 0.00 -0.03 0.00 0.00 56.01 56.70 3kcx n LEU 284 Cb 0.50 -1.46 0.01 0.00 -2.33 0.00 0.00 43.42 40.14 3kcx n LEU 284 CO 0.48 -0.36 0.96 0.18 -1.33 0.00 0.00 177.39 177.32 3kcx n LEU 285 N 2.21 4.25 -0.20 2.23 4.77 -1.08 -2.56 117.00 126.62 3kcx n LEU 285 Ca 0.11 1.15 -0.02 0.00 -0.03 0.00 0.00 56.01 57.22 3kcx n LEU 285 Cb 0.32 -1.54 -0.01 0.00 -2.33 0.00 0.00 43.42 39.87 3kcx n LEU 285 CO 0.63 -0.40 -0.02 0.59 -1.33 0.00 0.00 177.39 176.86 3kcx n ASN 286 N 0.28 -4.32 -1.17 -1.43 3.02 -1.26 -4.79 115.26 105.58 3kcx n ASN 286 Ca 0.05 0.05 0.12 0.00 -0.03 0.00 0.00 54.58 54.77 3kcx n ASN 286 Cb 0.39 -2.83 0.23 0.00 -0.61 0.00 0.00 39.78 36.97 3kcx n ASN 286 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kcx n GLY 287 N 0.59 1.78 1.54 7.41 0.00 -1.06 -5.08 105.19 110.37 3kcx n GLY 287 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3kcx n GLY 287 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcx n GLY 288 N 1.52 -2.49 3.68 -0.02 0.00 -1.26 -4.75 105.19 101.88 3kcx n GLY 288 Ca 0.20 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 3kcx n GLY 288 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kcx s ILE 289 N -0.73 2.54 0.09 -0.61 -4.36 -1.26 -2.89 121.20 113.98 3kcx s ILE 289 Ca 0.00 0.18 0.06 0.00 -0.26 0.00 0.00 60.65 60.63 3kcx s ILE 289 Cb 0.00 -2.45 -0.03 0.00 1.25 0.00 0.00 42.46 41.23 3kcx s ILE 289 CO 0.00 -0.23 -0.16 0.42 0.24 0.00 0.00 174.94 175.20 3kcx s THR 290 N -2.77 1.35 -0.02 8.37 -4.23 -1.03 -3.97 115.64 113.35 3kcx s THR 290 Ca 0.65 -1.46 0.01 0.00 -1.18 0.00 0.00 61.69 59.71 3kcx s THR 290 Cb -0.20 -1.31 0.01 0.00 1.34 0.00 0.00 72.50 72.34 3kcx s THR 290 CO 0.58 -0.20 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.82 3kcx s ILE 291 N -1.38 0.19 0.04 2.99 1.01 0.16 -2.66 121.20 121.55 3kcx s ILE 291 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.68 3kcx s ILE 291 Cb -0.09 -0.23 -0.03 0.00 0.01 0.00 0.00 42.46 42.12 3kcx s ILE 291 CO 0.03 0.11 -0.04 -0.89 0.00 0.00 0.00 174.94 174.14 3kcx s THR 292 N 0.56 0.30 -0.08 2.92 2.01 -0.31 -0.96 115.64 120.07 3kcx s THR 292 Ca -0.05 -1.28 0.01 0.00 0.31 0.00 0.00 61.69 60.68 3kcx s THR 292 Cb -0.08 -0.80 0.02 0.00 0.01 0.00 0.00 72.50 71.65 3kcx s THR 292 CO -0.01 -0.64 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.50 3kcx s VAL 293 N -2.28 1.05 0.18 3.82 1.01 -0.57 -0.38 120.40 123.24 3kcx s VAL 293 Ca -0.06 -0.38 0.10 0.00 0.00 0.00 0.00 61.98 61.64 3kcx s VAL 293 Cb -0.04 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 3kcx s VAL 293 CO -0.03 0.35 -0.15 0.54 0.00 0.00 0.00 175.10 175.81 3kcx s ASN 294 N 1.10 3.94 -0.15 3.32 2.20 -0.71 -1.60 114.94 123.04 3kcx s ASN 294 Ca -0.06 -0.68 0.02 0.00 -0.94 0.00 0.00 52.86 51.19 3kcx s ASN 294 Cb -0.14 -0.54 0.01 0.00 -2.00 0.00 0.00 41.25 38.57 3kcx s ASN 294 CO -0.01 0.11 -0.20 -0.36 -2.94 0.00 0.00 177.10 173.70 3kcx s PHE 295 N -1.67 2.72 -0.07 1.54 0.40 -0.73 -2.04 117.98 118.13 3kcx s PHE 295 Ca 0.23 -1.28 0.04 0.00 -0.60 0.00 0.00 56.93 55.32 3kcx s PHE 295 Cb -0.09 -1.85 -0.02 0.00 0.51 0.00 0.00 43.02 41.58 3kcx s PHE 295 CO 0.13 -0.59 -0.20 -1.58 0.70 0.00 0.00 175.22 173.68 3kcx s TRP 296 N 0.87 2.58 -0.04 0.36 0.51 -1.02 -1.24 118.94 120.96 3kcx s TRP 296 Ca -0.05 -0.55 0.05 0.00 -2.12 0.00 0.00 56.10 53.42 3kcx s TRP 296 Cb -0.15 -1.65 -0.01 0.00 -0.81 0.00 0.00 33.47 30.85 3kcx s TRP 296 CO -0.02 -0.11 -0.18 0.71 -0.51 0.00 0.00 176.95 176.84 3kcx s TYR 297 N -0.22 1.79 0.28 -1.98 1.51 -0.40 -0.61 117.35 117.72 3kcx s TYR 297 Ca -0.01 -0.48 -0.30 0.00 -1.01 0.00 0.00 57.07 55.27 3kcx s TYR 297 Cb -0.13 -1.19 -0.11 0.00 -0.11 0.00 0.00 41.96 40.41 3kcx s TYR 297 CO 0.03 -0.15 1.60 0.15 -1.11 0.00 0.00 175.55 176.08 3kcx s LYS 298 N -0.08 4.13 1.09 -0.62 1.02 -1.16 -1.05 119.74 123.08 3kcx s LYS 298 Ca -0.02 2.57 -0.12 0.00 0.02 0.00 0.00 55.97 58.42 3kcx s LYS 298 Cb -0.11 -3.03 0.24 0.00 -0.52 0.00 0.00 37.83 34.41 3kcx s LYS 298 CO 0.02 -0.64 1.06 0.20 -0.92 0.00 0.00 175.35 175.08 3kcx s GLY 299 N 0.57 1.59 0.56 -3.33 0.00 -1.26 -0.99 107.32 104.46 3kcx s GLY 299 Ca 0.64 0.12 -0.20 0.00 0.00 0.00 0.00 44.72 45.28 3kcx s GLY 299 CO 0.46 0.75 1.09 0.00 0.00 0.00 0.00 173.10 175.40 3kcx n ALA 300 N -4.73 0.60 -1.69 3.20 0.00 -1.26 -3.67 120.51 112.96 3kcx n ALA 300 Ca 0.06 0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.27 3kcx n ALA 300 Cb 0.53 -2.18 0.07 0.00 0.00 0.00 0.00 19.45 17.87 3kcx n ALA 300 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kcx s PRO 301 N -2.69 2.46 0.06 0.00 0.04 -1.26 -4.98 135.00 128.63 3kcx s PRO 301 Ca 0.73 0.58 -0.31 0.00 0.04 0.00 0.00 61.00 62.05 3kcx s PRO 301 Cb -0.44 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.08 3kcx s PRO 301 CO 0.49 -1.34 1.26 0.99 0.04 0.00 0.00 177.00 178.44 3kcx s THR 302 N -3.23 3.86 0.00 1.26 2.01 -1.26 -5.16 115.64 113.12 3kcx s THR 302 Ca 0.59 1.32 0.00 0.00 0.31 0.00 0.00 61.69 63.91 3kcx s THR 302 Cb -0.13 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.54 3kcx s THR 302 CO 0.53 0.08 0.13 -2.65 -0.69 0.00 0.00 174.62 172.02 3kcx n PRO 303 N 4.18 0.00 0.00 4.92 -0.02 -1.26 -5.34 135.00 137.47 3kcx n PRO 303 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3kcx n PRO 303 Cb 0.45 -0.60 0.00 0.00 -0.02 0.00 0.00 33.50 33.33 3kcx n PRO 303 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3kcx n GLU 307 N -0.46 0.00 -4.42 -0.52 2.13 -1.26 -5.33 120.64 110.78 3kcx n GLU 307 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 3kcx n GLU 307 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 3kcx n GLU 307 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 3kcx s TYR 308 N 0.00 2.36 0.57 4.31 2.02 -1.26 -4.40 117.35 120.95 3kcx s TYR 308 Ca 0.00 -0.36 -0.19 0.00 -0.37 0.00 0.00 57.07 56.15 3kcx s TYR 308 Cb 0.00 -1.28 -0.05 0.00 -0.40 0.00 0.00 41.96 40.23 3kcx s TYR 308 CO 0.00 0.33 1.15 -1.25 -1.57 0.00 0.00 175.55 174.21 3kcx s PRO 309 N -2.00 3.20 0.33 -1.71 0.04 -1.26 -5.15 135.00 128.46 3kcx s PRO 309 Ca 0.15 1.66 -0.21 0.00 0.04 0.00 0.00 61.00 62.63 3kcx s PRO 309 Cb -0.10 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 3kcx s PRO 309 CO 0.06 -0.99 0.86 -1.17 0.04 0.00 0.00 177.00 175.81 3kcx s LEU 310 N -3.97 4.16 0.23 -3.56 2.96 -1.26 -5.05 118.68 112.19 3kcx s LEU 310 Ca 0.74 1.59 -0.14 0.00 -0.22 0.00 0.00 54.13 56.09 3kcx s LEU 310 Cb -0.25 -4.10 -0.08 0.00 0.50 0.00 0.00 46.19 42.26 3kcx s LEU 310 CO 0.30 -0.17 0.64 -1.59 -1.32 0.00 0.00 176.35 174.21 3kcx s LYS 311 N -2.58 4.00 0.37 1.98 -2.85 -1.26 -4.96 119.74 114.44 3kcx s LYS 311 Ca 0.53 0.56 0.19 0.00 -1.00 0.00 0.00 55.97 56.26 3kcx s LYS 311 Cb -0.13 -2.71 1.22 0.00 -2.06 0.00 0.00 37.83 34.14 3kcx s LYS 311 CO 0.19 0.33 1.64 0.00 0.10 0.00 0.00 175.35 177.61 3kcx h ALA 312 N 2.92 2.17 0.00 0.59 0.00 -1.97 0.20 119.26 123.17 3kcx h ALA 312 Ca -0.48 0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 3kcx h ALA 312 Cb 1.18 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 3kcx h ALA 312 CO 0.66 -0.82 -0.70 1.12 0.00 0.00 0.00 179.25 179.51 3kcx h HIS 313 N 0.20 0.00 -0.23 0.00 2.07 -1.93 -1.43 115.15 113.84 3kcx h HIS 313 Ca 0.77 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 58.18 3kcx h HIS 313 Cb 1.98 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.96 3kcx h HIS 313 CO -0.01 0.70 -0.30 1.96 -3.07 0.00 0.00 177.93 177.21 3kcx h GLN 314 N 0.00 0.61 -0.97 5.12 4.20 -1.00 -0.99 115.11 122.07 3kcx h GLN 314 Ca -0.01 -0.35 0.16 0.00 0.06 0.00 0.00 58.65 58.51 3kcx h GLN 314 Cb 1.30 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 29.02 3kcx h GLN 314 CO 0.09 0.95 0.61 0.87 -0.67 0.00 0.00 178.83 180.69 3kcx h LYS 315 N 0.31 0.76 -0.30 1.46 1.57 -1.22 0.25 116.57 119.40 3kcx h LYS 315 Ca 0.03 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 3kcx h LYS 315 Cb 0.88 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 3kcx h LYS 315 CO 0.07 0.51 -0.27 0.28 -0.57 0.00 0.00 179.45 179.47 3kcx h VAL 316 N 0.79 1.27 -0.60 0.50 2.07 -0.89 -1.72 116.25 117.68 3kcx h VAL 316 Ca 0.52 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 3kcx h VAL 316 Cb 0.77 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 3kcx h VAL 316 CO -0.29 0.43 0.37 0.00 0.02 0.00 0.00 177.57 178.10 3kcx h ALA 317 N 1.18 0.76 -0.52 1.67 0.00 0.30 -2.18 119.26 120.47 3kcx h ALA 317 Ca 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3kcx h ALA 317 Cb 0.73 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3kcx h ALA 317 CO 0.06 0.23 0.30 0.82 0.00 0.00 0.00 179.25 180.66 3kcx h ILE 318 N 0.80 1.16 -0.55 0.00 2.04 -0.71 -1.43 117.51 118.82 3kcx h ILE 318 Ca 0.21 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.62 3kcx h ILE 318 Cb -0.04 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 3kcx h ILE 318 CO -0.04 0.17 0.08 0.24 0.00 0.00 0.00 178.15 178.60 3kcx h MET 319 N 0.69 0.93 -0.63 2.37 2.86 -1.09 -0.87 114.93 119.19 3kcx h MET 319 Ca 0.18 -0.25 0.05 0.00 -2.06 0.00 0.00 59.70 57.62 3kcx h MET 319 Cb 0.01 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.51 3kcx h MET 319 CO -0.03 0.90 0.35 0.00 1.06 0.00 0.00 176.91 179.19 3kcx h ARG 320 N 0.82 0.65 -0.24 1.72 3.08 -1.25 -1.71 114.38 117.44 3kcx h ARG 320 Ca 0.17 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.10 3kcx h ARG 320 Cb 0.43 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3kcx h ARG 320 CO 0.01 0.43 -0.16 -0.91 -1.07 0.00 0.00 179.97 178.28 3kcx h ASN 321 N 0.67 0.56 -0.33 7.04 2.35 -0.47 -0.09 115.58 125.32 3kcx h ASN 321 Ca 0.28 -0.43 0.05 0.00 -0.55 0.00 0.00 56.30 55.64 3kcx h ASN 321 Cb 0.15 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.32 3kcx h ASN 321 CO -0.16 0.87 0.05 0.40 -1.65 0.00 0.00 177.43 176.94 3kcx h ILE 322 N 0.25 0.82 -0.88 2.81 1.08 -1.05 0.72 117.51 121.27 3kcx h ILE 322 Ca 0.05 -0.06 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 3kcx h ILE 322 Cb 0.68 0.65 -0.05 0.00 -3.07 0.00 0.00 36.82 35.03 3kcx h ILE 322 CO 0.04 0.03 0.57 -0.33 -0.69 0.00 0.00 178.15 177.78 3kcx h GLU 323 N 0.16 1.08 -0.18 2.37 5.08 -0.94 0.11 114.58 122.27 3kcx h GLU 323 Ca 0.15 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3kcx h GLU 323 Cb 0.18 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3kcx h GLU 323 CO -0.21 0.72 -0.04 0.87 -1.00 0.00 0.00 179.01 179.34 3kcx h LYS 324 N 1.12 0.35 0.38 2.33 1.57 -0.55 -2.86 116.57 118.91 3kcx h LYS 324 Ca 0.35 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 3kcx h LYS 324 Cb -0.01 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3kcx h LYS 324 CO -0.11 0.61 -0.47 0.52 -0.57 0.00 0.00 179.45 179.42 3kcx h MET 325 N 0.06 -0.84 -0.94 3.15 2.86 -0.43 -2.71 114.93 116.08 3kcx h MET 325 Ca 0.05 0.06 0.28 0.00 -2.06 0.00 0.00 59.70 58.03 3kcx h MET 325 Cb 0.48 0.19 -0.15 0.00 0.06 0.00 0.00 31.60 32.18 3kcx h MET 325 CO 0.02 -0.56 0.37 -0.07 1.06 0.00 0.00 176.91 177.73 3kcx h LEU 326 N -0.87 0.20 -1.61 1.22 4.07 -1.06 0.26 115.31 117.52 3kcx h LEU 326 Ca -0.05 0.20 -0.04 0.00 0.08 0.00 0.00 57.88 58.08 3kcx h LEU 326 Cb 0.78 0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.74 3kcx h LEU 326 CO -0.10 -0.18 -0.20 1.23 -1.08 0.00 0.00 178.44 178.11 3kcx h GLY 327 N 0.23 0.00 0.00 0.83 0.00 -1.25 -2.01 103.07 100.87 3kcx h GLY 327 Ca 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.95 3kcx h GLY 327 CO -0.66 0.00 -0.19 0.83 0.00 0.00 0.00 176.54 176.52 3kcx h GLU 328 N 0.00 0.00 -0.95 4.80 4.39 -0.27 -2.89 114.58 119.66 3kcx h GLU 328 Ca -0.00 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.82 3kcx h GLU 328 Cb 0.48 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.06 3kcx h GLU 328 CO 0.03 0.56 0.60 0.00 -1.16 0.00 0.00 179.01 179.04 3kcx h ALA 329 N -0.50 1.62 -0.01 3.43 0.00 -0.94 -1.65 119.26 121.22 3kcx h ALA 329 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kcx h ALA 329 Cb 0.64 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3kcx h ALA 329 CO -0.02 0.15 -0.25 1.28 0.00 0.00 0.00 179.25 180.41 3kcx n LEU 330 N -4.57 0.85 0.00 0.00 4.77 -0.76 -4.94 117.00 112.34 3kcx n LEU 330 Ca 0.17 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3kcx n LEU 330 Cb 0.36 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3kcx n LEU 330 CO 0.29 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3kcx n GLY 331 N 1.35 0.16 3.20 -0.72 0.00 -0.62 -4.93 105.19 103.63 3kcx n GLY 331 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3kcx n GLY 331 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kcx s ASN 332 N -2.08 -1.00 0.58 1.61 3.84 -1.10 -5.01 114.94 111.77 3kcx s ASN 332 Ca 0.00 0.89 0.28 0.00 0.21 0.00 0.00 52.86 54.25 3kcx s ASN 332 Cb 0.00 1.97 1.60 0.00 -0.55 0.00 0.00 41.25 44.27 3kcx s ASN 332 CO 0.00 -0.26 2.06 1.55 -2.79 0.00 0.00 177.10 177.66 3kcx h PRO 333 N 8.04 0.00 0.00 0.43 0.13 -1.92 -1.17 132.00 137.51 3kcx h PRO 333 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3kcx h PRO 333 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3kcx h PRO 333 CO 0.23 0.00 0.00 1.96 -0.23 0.00 0.00 178.00 179.96 3kcx h GLN 334 N 0.00 0.00 0.00 0.86 4.20 -1.96 -2.96 115.11 115.25 3kcx h GLN 334 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3kcx h GLN 334 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 3kcx h GLN 334 CO -0.00 0.00 -0.85 0.39 -0.67 0.00 0.00 178.83 177.70 3kcx n GLU 335 N -2.84 0.23 -0.06 1.46 1.02 -0.44 -4.30 120.64 115.71 3kcx n GLU 335 Ca 0.00 0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 57.06 3kcx n GLU 335 Cb 0.22 -1.60 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 3kcx n GLU 335 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3kcx h VAL 336 N 0.00 0.22 0.26 2.62 2.07 -1.62 -1.55 116.25 118.25 3kcx h VAL 336 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3kcx h VAL 336 Cb 0.69 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3kcx h VAL 336 CO 0.00 0.00 -0.36 1.23 0.02 0.00 0.00 177.57 178.46 3kcx h GLY 337 N -0.35 -0.78 1.60 2.17 0.00 -1.79 -1.39 103.07 102.53 3kcx h GLY 337 Ca 0.13 0.42 0.03 0.00 0.00 0.00 0.00 47.33 47.90 3kcx h GLY 337 CO -0.46 -0.28 0.21 -2.55 0.00 0.00 0.00 176.54 173.46 3kcx h PRO 338 N -0.68 0.31 -0.45 4.80 0.11 -1.78 -1.86 132.00 132.46 3kcx h PRO 338 Ca -0.00 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.00 3kcx h PRO 338 Cb 0.65 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 3kcx h PRO 338 CO -0.12 0.21 -0.07 1.25 -0.21 0.00 0.00 178.00 179.06 3kcx h LEU 339 N 0.32 0.84 -0.68 2.35 6.46 -0.88 -1.57 115.31 122.15 3kcx h LEU 339 Ca 0.13 -0.34 0.01 0.00 -0.12 0.00 0.00 57.88 57.56 3kcx h LEU 339 Cb 0.12 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.78 3kcx h LEU 339 CO -0.03 0.98 0.44 -0.07 -0.62 0.00 0.00 178.44 179.15 3kcx h LEU 340 N 0.68 0.76 -0.22 2.25 3.38 -0.91 -0.04 115.31 121.22 3kcx h LEU 340 Ca 0.12 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3kcx h LEU 340 Cb 0.59 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3kcx h LEU 340 CO 0.04 0.55 0.07 0.78 0.09 0.00 0.00 178.44 179.97 3kcx h ASN 341 N 0.90 0.31 -0.77 -0.43 2.35 -1.27 -1.58 115.58 115.09 3kcx h ASN 341 Ca 0.25 -0.20 0.13 0.00 -0.55 0.00 0.00 56.30 55.94 3kcx h ASN 341 Cb -0.09 -0.08 -0.09 0.00 0.05 0.00 0.00 38.32 38.11 3kcx h ASN 341 CO -0.06 0.42 0.35 0.74 -1.65 0.00 0.00 177.43 177.24 3kcx h THR 342 N 0.18 0.72 -0.38 2.81 2.02 -1.07 0.54 112.91 117.74 3kcx h THR 342 Ca 0.07 -0.18 -0.07 0.00 0.77 0.00 0.00 66.41 67.00 3kcx h THR 342 Cb 0.22 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 3kcx h THR 342 CO -0.00 0.10 -0.06 -0.03 0.37 0.00 0.00 175.52 175.90 3kcx h MET 343 N 0.53 0.63 0.00 6.66 1.85 -0.70 -3.35 114.93 120.56 3kcx h MET 343 Ca 0.42 -0.17 -0.37 0.00 -0.61 0.00 0.00 59.70 58.96 3kcx h MET 343 Cb 0.58 -0.07 -0.07 0.00 0.43 0.00 0.00 31.60 32.47 3kcx h MET 343 CO -0.36 0.69 -2.38 0.44 -0.40 0.00 0.00 176.91 174.90 3kcx n ILE 344 N -4.22 1.41 -1.61 1.77 -5.35 -0.62 -4.60 119.36 106.14 3kcx n ILE 344 Ca 0.01 -0.82 -0.45 0.00 -0.27 0.00 0.00 62.75 61.22 3kcx n ILE 344 Cb 0.31 -0.60 -0.04 0.00 -1.74 0.00 0.00 39.64 37.56 3kcx n ILE 344 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kcx n LYS 345 N -2.83 2.13 -1.06 6.28 5.02 0.14 0.16 118.16 128.00 3kcx n LYS 345 Ca -0.34 0.70 -0.02 0.00 -2.02 0.00 0.00 58.31 56.63 3kcx n LYS 345 Cb 1.14 -2.93 -0.01 0.00 -0.02 0.00 0.00 35.03 33.21 3kcx n LYS 345 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kcx n GLY 346 N 5.23 0.47 0.77 0.72 0.00 -1.26 -4.80 105.19 106.32 3kcx n GLY 346 Ca 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3kcx n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcx n ARG 347 N -1.67 0.00 0.00 1.61 1.74 0.12 -4.91 116.66 113.56 3kcx n ARG 347 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3kcx n ARG 347 Cb 0.23 -0.61 0.00 0.00 -1.02 0.00 0.00 32.46 31.06 3kcx n ARG 347 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3kcx n TYR 348 N -2.81 0.00 0.54 -1.55 4.01 0.30 -5.06 117.16 112.59 3kcx n TYR 348 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 3kcx n TYR 348 Cb 0.46 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.55 3kcx n TYR 348 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67