#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcy n PRO 16 N 0.00 2.72 -2.01 5.31 -0.02 -1.26 -4.97 135.00 134.77 3kcy n PRO 16 Ca 0.00 0.97 -0.36 0.00 -2.02 0.00 0.00 63.50 62.08 3kcy n PRO 16 Cb 0.00 -2.75 0.03 0.00 -0.02 0.00 0.00 33.50 30.76 3kcy n PRO 16 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kcy s ARG 17 N -0.74 3.07 -0.35 -0.52 0.52 -1.26 -4.78 118.95 114.88 3kcy s ARG 17 Ca 0.62 1.87 -0.12 0.00 -0.52 0.00 0.00 55.73 57.59 3kcy s ARG 17 Cb -0.49 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 32.97 3kcy s ARG 17 CO 0.51 -1.14 0.22 -1.21 0.02 0.00 0.00 175.30 173.70 3kcy s GLU 18 N -3.21 3.20 0.35 3.54 0.41 -1.26 -0.86 118.70 120.87 3kcy s GLU 18 Ca 0.75 -0.83 -0.27 0.00 -0.41 0.00 0.00 54.97 54.22 3kcy s GLU 18 Cb -0.31 -3.75 -0.09 0.00 -1.78 0.00 0.00 34.13 28.20 3kcy s GLU 18 CO 0.35 -0.55 1.10 -1.21 -0.49 0.00 0.00 175.26 174.46 3kcy s GLU 19 N 1.64 4.33 0.56 1.61 2.02 -1.07 -4.98 118.70 122.82 3kcy s GLU 19 Ca 0.04 1.71 -0.20 0.00 0.02 0.00 0.00 54.97 56.54 3kcy s GLU 19 Cb -0.18 -2.84 -0.06 0.00 0.10 0.00 0.00 34.13 31.15 3kcy s GLU 19 CO 0.08 -0.04 1.05 0.00 0.02 0.00 0.00 175.26 176.38 3kcy n ALA 20 N 0.48 0.47 -1.43 5.21 0.00 -1.26 -3.07 120.51 120.91 3kcy n ALA 20 Ca 0.02 0.07 -0.05 0.00 0.00 0.00 0.00 53.44 53.49 3kcy n ALA 20 Cb 0.47 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 17.75 3kcy n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcy n GLY 21 N 1.16 0.57 4.19 0.00 0.00 -1.26 -3.68 105.19 106.17 3kcy n GLY 21 Ca 0.12 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 3kcy n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcy n ALA 22 N 0.38 -1.91 1.49 4.61 0.00 -1.17 -4.82 120.51 119.09 3kcy n ALA 22 Ca -0.05 -0.32 0.11 0.00 0.00 0.00 0.00 53.44 53.18 3kcy n ALA 22 Cb 0.27 -1.34 0.68 0.00 0.00 0.00 0.00 19.45 19.06 3kcy n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kcy n LEU 23 N -4.47 0.00 0.00 0.00 4.77 -1.19 -4.98 117.00 111.13 3kcy n LEU 23 Ca -0.27 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 3kcy n LEU 23 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 3kcy n LEU 23 CO 0.82 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 3kcy n GLY 24 N 0.48 -2.90 3.76 -0.72 0.00 -1.26 -4.95 105.19 99.60 3kcy n GLY 24 Ca 0.17 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 3kcy n GLY 24 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kcy s PRO 25 N -0.50 4.60 0.25 1.61 0.02 -1.26 -2.58 135.00 137.13 3kcy s PRO 25 Ca 0.00 1.86 -0.05 0.00 0.02 0.00 0.00 61.00 62.83 3kcy s PRO 25 Cb 0.00 -3.18 0.28 0.00 0.02 0.00 0.00 34.50 31.62 3kcy s PRO 25 CO 0.00 0.15 1.86 0.00 -0.33 0.00 0.00 177.00 178.68 3kcy h ALA 26 N 3.86 1.20 -2.93 -1.55 0.00 -1.30 -3.47 119.26 115.07 3kcy h ALA 26 Ca -0.47 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.33 3kcy h ALA 26 Cb 1.21 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3kcy h ALA 26 CO 0.67 0.62 0.30 1.67 0.00 0.00 0.00 179.25 182.51 3kcy s TRP 27 N -5.69 0.01 0.08 0.00 1.48 -1.26 -5.04 118.94 108.51 3kcy s TRP 27 Ca -0.12 -0.58 -0.10 0.00 -1.06 0.00 0.00 56.10 54.24 3kcy s TRP 27 Cb 0.17 0.78 0.01 0.00 -1.16 0.00 0.00 33.47 33.26 3kcy s TRP 27 CO 0.82 -1.38 0.22 0.16 -4.06 0.00 0.00 176.95 172.71 3kcy s ASP 28 N -3.04 0.04 0.18 -2.66 1.47 -1.26 -4.65 116.67 106.75 3kcy s ASP 28 Ca 0.14 -0.52 0.01 0.00 1.18 0.00 0.00 52.55 53.36 3kcy s ASP 28 Cb -0.05 0.34 0.43 0.00 -0.34 0.00 0.00 42.92 43.31 3kcy s ASP 28 CO 0.09 -0.70 0.92 -1.84 0.68 0.00 0.00 175.17 174.32 3kcy n GLU 29 N 0.13 -0.05 0.00 2.11 -0.00 -1.26 0.74 120.64 122.31 3kcy n GLU 29 Ca -0.16 0.88 0.01 0.00 -0.00 0.00 0.00 57.16 57.89 3kcy n GLU 29 Cb 0.62 -1.39 0.05 0.00 -0.00 0.00 0.00 31.44 30.71 3kcy n GLU 29 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 3kcy n SER 30 N -4.76 0.00 -0.46 -1.84 3.41 -1.26 0.07 113.62 108.78 3kcy n SER 30 Ca 0.13 0.47 0.12 0.00 -0.26 0.00 0.00 58.87 59.33 3kcy n SER 30 Cb 0.44 -0.48 0.17 0.00 -0.26 0.00 0.00 64.21 64.08 3kcy n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kcy n GLN 31 N -1.48 1.23 -3.63 4.33 6.02 0.23 -4.89 117.38 119.20 3kcy n GLN 31 Ca 0.01 -0.93 -0.36 0.00 -0.01 0.00 0.00 57.00 55.71 3kcy n GLN 31 Cb 0.03 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 29.75 3kcy n GLN 31 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kcy s LEU 32 N -2.40 4.39 0.76 1.08 1.43 0.11 -2.36 118.68 121.68 3kcy s LEU 32 Ca 0.23 0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 53.97 3kcy s LEU 32 Cb 0.19 -2.74 0.04 0.00 0.03 0.00 0.00 46.19 43.72 3kcy s LEU 32 CO 0.51 0.25 1.08 -0.13 0.23 0.00 0.00 176.35 178.29 3kcy s ARG 33 N -1.61 2.43 -0.12 1.70 0.52 -1.26 -5.04 118.95 115.57 3kcy s ARG 33 Ca 0.28 0.93 -0.01 0.00 -0.52 0.00 0.00 55.73 56.41 3kcy s ARG 33 Cb -0.14 -1.93 -0.02 0.00 0.52 0.00 0.00 34.95 33.37 3kcy s ARG 33 CO 0.15 -1.45 -0.09 -1.54 0.02 0.00 0.00 175.30 172.38 3kcy s SER 34 N -3.68 4.36 0.15 0.23 1.04 -1.26 -5.10 113.70 109.43 3kcy s SER 34 Ca 0.60 -0.20 0.03 0.00 0.48 0.00 0.00 55.95 56.86 3kcy s SER 34 Cb -0.15 -1.51 -0.04 0.00 0.10 0.00 0.00 66.02 64.41 3kcy s SER 34 CO 0.55 0.22 -0.07 -0.31 0.98 0.00 0.00 173.24 174.61 3kcy s TYR 35 N 0.04 1.22 -0.05 5.02 2.02 -1.26 -4.93 117.35 119.41 3kcy s TYR 35 Ca -0.03 -0.84 0.12 0.00 -0.37 0.00 0.00 57.07 55.95 3kcy s TYR 35 Cb -0.14 -0.65 -0.06 0.00 -0.40 0.00 0.00 41.96 40.70 3kcy s TYR 35 CO 0.04 -0.02 1.30 0.66 -1.57 0.00 0.00 175.55 175.96 3kcy h SER 36 N 2.77 0.00 -3.76 2.29 4.64 -1.98 -3.45 113.55 114.06 3kcy h SER 36 Ca -0.36 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.46 3kcy h SER 36 Cb 1.19 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.30 3kcy h SER 36 CO 0.64 0.71 0.16 0.72 -0.87 0.00 0.00 176.83 178.18 3kcy s PHE 37 N -2.85 3.51 0.70 4.77 -0.12 -1.26 -5.09 117.98 117.64 3kcy s PHE 37 Ca 0.02 1.03 -0.09 0.00 -0.05 0.00 0.00 56.93 57.84 3kcy s PHE 37 Cb 0.09 -2.45 0.04 0.00 -0.63 0.00 0.00 43.02 40.06 3kcy s PHE 37 CO 0.78 -0.23 1.06 -1.25 -0.05 0.00 0.00 175.22 175.53 3kcy s PRO 38 N -4.24 2.53 -0.08 1.99 0.04 -1.26 -4.95 135.00 129.02 3kcy s PRO 38 Ca 0.51 0.14 -0.13 0.00 0.04 0.00 0.00 61.00 61.56 3kcy s PRO 38 Cb -0.10 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.38 3kcy s PRO 38 CO 0.37 -1.13 0.32 0.95 0.04 0.00 0.00 177.00 177.56 3kcy s THR 39 N -3.31 0.02 0.26 1.26 -4.23 -1.26 -2.01 115.64 106.38 3kcy s THR 39 Ca 0.58 -0.18 0.05 0.00 -1.18 0.00 0.00 61.69 60.97 3kcy s THR 39 Cb -0.11 -0.52 -0.03 0.00 1.34 0.00 0.00 72.50 73.18 3kcy s THR 39 CO 0.48 -0.10 0.38 -0.13 -0.54 0.00 0.00 174.62 174.72 3kcy s ARG 40 N -0.38 3.40 0.14 3.99 3.00 -0.07 -4.92 118.95 124.12 3kcy s ARG 40 Ca -0.05 -0.77 -0.22 0.00 0.00 0.00 0.00 55.73 54.69 3kcy s ARG 40 Cb -0.03 -2.87 -0.08 0.00 0.00 0.00 0.00 34.95 31.97 3kcy s ARG 40 CO 0.02 0.37 0.69 -1.25 0.00 0.00 0.00 175.30 175.13 3kcy s PRO 41 N -4.02 4.38 0.30 3.54 0.04 -1.26 0.41 135.00 138.38 3kcy s PRO 41 Ca 0.36 0.95 -0.29 0.00 0.04 0.00 0.00 61.00 62.06 3kcy s PRO 41 Cb -0.09 -3.19 -0.10 0.00 0.04 0.00 0.00 34.50 31.17 3kcy s PRO 41 CO 0.30 0.57 1.20 0.42 0.04 0.00 0.00 177.00 179.52 3kcy s ILE 42 N -1.20 3.15 0.22 0.56 1.01 0.63 -4.78 121.20 120.79 3kcy s ILE 42 Ca 0.34 1.15 -0.31 0.00 0.00 0.00 0.00 60.65 61.83 3kcy s ILE 42 Cb -0.21 -3.73 -0.11 0.00 0.01 0.00 0.00 42.46 38.42 3kcy s ILE 42 CO 0.23 0.27 1.66 -2.84 0.00 0.00 0.00 174.94 174.25 3kcy s PRO 43 N -1.53 4.15 -0.44 2.79 0.02 -1.26 -4.82 135.00 133.90 3kcy s PRO 43 Ca 0.47 2.54 -0.15 0.00 0.02 0.00 0.00 61.00 63.88 3kcy s PRO 43 Cb -0.35 -3.08 0.05 0.00 0.02 0.00 0.00 34.50 31.13 3kcy s PRO 43 CO 0.46 -0.69 0.35 1.03 -0.33 0.00 0.00 177.00 177.82 3kcy s ARG 44 N 0.77 2.97 0.36 5.54 0.52 -1.26 -1.14 118.95 126.71 3kcy s ARG 44 Ca 0.71 -1.18 0.09 0.00 -0.52 0.00 0.00 55.73 54.82 3kcy s ARG 44 Cb -0.48 -4.05 -0.06 0.00 0.52 0.00 0.00 34.95 30.87 3kcy s ARG 44 CO 0.36 -0.89 -0.02 -0.51 0.02 0.00 0.00 175.30 174.26 3kcy s LEU 45 N 1.66 2.86 0.20 2.53 1.43 0.15 -4.93 118.68 122.59 3kcy s LEU 45 Ca 0.05 -1.17 -0.16 0.00 -1.03 0.00 0.00 54.13 51.81 3kcy s LEU 45 Cb -0.22 -1.11 -0.08 0.00 0.03 0.00 0.00 46.19 44.82 3kcy s LEU 45 CO 0.08 -0.30 0.64 -0.55 0.23 0.00 0.00 176.35 176.46 3kcy s SER 46 N -3.69 6.91 0.53 2.29 0.15 -1.26 -0.42 113.70 118.21 3kcy s SER 46 Ca 0.34 1.23 0.32 0.00 0.70 0.00 0.00 55.95 58.54 3kcy s SER 46 Cb 0.04 -2.35 1.35 0.00 -1.71 0.00 0.00 66.02 63.35 3kcy s SER 46 CO 0.18 0.03 1.99 -0.61 1.20 0.00 0.00 173.24 176.03 3kcy h GLN 47 N 3.31 0.00 -0.00 5.44 -0.00 -1.94 -0.94 115.11 120.98 3kcy h GLN 47 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 3kcy h GLN 47 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.67 3kcy h GLN 47 CO 0.66 0.06 -0.27 -1.13 0.00 0.00 0.00 178.83 178.15 3kcy n SER 48 N -3.22 0.27 -4.71 -0.69 3.41 -1.26 -4.78 113.62 102.64 3kcy n SER 48 Ca -0.00 0.09 -0.42 0.00 -0.26 0.00 0.00 58.87 58.28 3kcy n SER 48 Cb 0.31 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 3kcy n SER 48 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kcy s ASP 49 N -3.00 6.53 0.20 4.04 -1.08 -0.36 -4.93 116.67 118.07 3kcy s ASP 49 Ca 0.13 2.67 -0.11 0.00 -0.52 0.00 0.00 52.55 54.72 3kcy s ASP 49 Cb 0.18 -2.59 0.23 0.00 -1.46 0.00 0.00 42.92 39.28 3kcy s ASP 49 CO 0.62 -0.87 1.75 -0.65 0.52 0.00 0.00 175.17 176.54 3kcy h PRO 50 N 7.04 0.40 -0.99 4.34 0.11 -1.86 -3.08 132.00 137.95 3kcy h PRO 50 Ca -0.43 -0.02 0.19 0.00 0.11 0.00 0.00 66.00 65.85 3kcy h PRO 50 Cb 1.20 -0.09 -0.10 0.00 0.11 0.00 0.00 31.00 32.13 3kcy h PRO 50 CO 0.93 0.26 0.61 -0.09 -0.21 0.00 0.00 178.00 179.50 3kcy h ARG 51 N 0.41 0.67 0.00 1.05 2.43 -1.93 0.33 114.38 117.34 3kcy h ARG 51 Ca 0.28 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.34 3kcy h ARG 51 Cb 0.31 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3kcy h ARG 51 CO -0.27 0.44 -0.32 0.00 -1.51 0.00 0.00 179.97 178.31 3kcy h ALA 52 N 1.63 1.38 0.09 2.80 0.00 -1.82 -1.65 119.26 121.69 3kcy h ALA 52 Ca 0.56 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3kcy h ALA 52 Cb 0.96 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3kcy h ALA 52 CO -0.33 0.40 -0.04 1.49 0.00 0.00 0.00 179.25 180.77 3kcy h GLU 53 N 0.00 -0.12 -0.82 0.00 4.57 -0.43 -2.49 114.58 115.28 3kcy h GLU 53 Ca -0.00 0.01 0.16 0.00 -1.18 0.00 0.00 59.36 58.34 3kcy h GLU 53 Cb 0.60 0.03 -0.15 0.00 -0.16 0.00 0.00 28.75 29.07 3kcy h GLU 53 CO 0.04 0.41 -0.25 0.93 -1.18 0.00 0.00 179.01 178.97 3kcy h GLU 54 N -0.79 -0.02 -0.55 1.92 5.08 -1.19 -0.31 114.58 118.71 3kcy h GLU 54 Ca -0.01 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3kcy h GLU 54 Cb 0.58 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3kcy h GLU 54 CO 0.02 -0.01 0.37 -0.07 -1.00 0.00 0.00 179.01 178.31 3kcy h LEU 55 N -0.02 0.63 -0.66 1.33 3.38 -1.28 0.18 115.31 118.86 3kcy h LEU 55 Ca 0.37 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.21 3kcy h LEU 55 Cb 0.60 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3kcy h LEU 55 CO -0.85 0.46 -0.18 0.40 0.09 0.00 0.00 178.44 178.35 3kcy h ILE 56 N 0.75 1.27 -0.06 1.22 2.04 -0.82 -0.49 117.51 121.41 3kcy h ILE 56 Ca 0.20 -1.30 -0.11 0.00 1.00 0.00 0.00 64.86 64.65 3kcy h ILE 56 Cb -0.08 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3kcy h ILE 56 CO -0.05 0.44 -0.49 -0.08 0.00 0.00 0.00 178.15 177.98 3kcy h GLU 57 N 0.75 0.15 -0.08 2.37 4.57 -0.70 -2.71 114.58 118.93 3kcy h GLU 57 Ca 0.11 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3kcy h GLU 57 Cb 0.71 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 3kcy h GLU 57 CO 0.05 0.61 0.00 0.09 -1.18 0.00 0.00 179.01 178.58 3kcy n ASN 58 N -3.96 0.73 -4.00 1.04 4.13 0.59 -4.93 115.26 108.85 3kcy n ASN 58 Ca -0.02 -1.61 -0.31 0.00 1.68 0.00 0.00 54.58 54.32 3kcy n ASN 58 Cb 0.52 -0.05 0.01 0.00 -1.54 0.00 0.00 39.78 38.72 3kcy n ASN 58 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3kcy n GLU 59 N -0.28 -4.56 -4.24 3.52 1.02 -0.84 -5.01 120.64 110.26 3kcy n GLU 59 Ca 0.13 0.51 -0.31 0.00 -0.02 0.00 0.00 57.16 57.48 3kcy n GLU 59 Cb 0.17 -5.27 -0.09 0.00 -0.02 0.00 0.00 31.44 26.24 3kcy n GLU 59 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3kcy s GLU 60 N -6.67 2.57 0.69 3.49 2.02 -0.25 -4.80 118.70 115.74 3kcy s GLU 60 Ca 0.59 -0.78 -0.14 0.00 0.02 0.00 0.00 54.97 54.66 3kcy s GLU 60 Cb -0.30 -2.54 0.02 0.00 0.10 0.00 0.00 34.13 31.40 3kcy s GLU 60 CO 0.87 0.57 1.11 -1.25 0.02 0.00 0.00 175.26 176.57 3kcy s PRO 61 N -1.95 2.63 -0.28 0.39 0.04 -1.26 -4.18 135.00 130.39 3kcy s PRO 61 Ca 0.22 1.34 -0.19 0.00 0.04 0.00 0.00 61.00 62.42 3kcy s PRO 61 Cb -0.11 -1.93 0.09 0.00 0.04 0.00 0.00 34.50 32.58 3kcy s PRO 61 CO 0.14 -1.37 0.76 0.54 0.04 0.00 0.00 177.00 177.11 3kcy s VAL 62 N -2.48 0.00 -0.24 -0.36 0.11 -1.21 -4.56 120.40 111.66 3kcy s VAL 62 Ca 0.66 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.50 3kcy s VAL 62 Cb -0.20 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.63 3kcy s VAL 62 CO 0.45 0.00 0.65 -0.69 -3.33 0.00 0.00 175.10 172.19 3kcy s VAL 63 N 1.21 4.97 -0.31 2.04 1.01 -0.29 -1.66 120.40 127.36 3kcy s VAL 63 Ca -0.07 1.20 -0.11 0.00 0.00 0.00 0.00 61.98 63.00 3kcy s VAL 63 Cb -0.05 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3kcy s VAL 63 CO -0.13 0.03 0.20 -0.76 0.00 0.00 0.00 175.10 174.43 3kcy s LEU 64 N 2.46 4.23 0.46 3.92 1.43 0.89 0.34 118.68 132.40 3kcy s LEU 64 Ca 0.28 -0.29 0.28 0.00 -1.03 0.00 0.00 54.13 53.36 3kcy s LEU 64 Cb -0.16 -2.10 0.82 0.00 0.03 0.00 0.00 46.19 44.79 3kcy s LEU 64 CO 0.09 -0.16 1.78 0.71 0.23 0.00 0.00 176.35 179.00 3kcy h THR 65 N 5.48 0.00 -0.83 5.49 1.35 -1.04 -0.45 112.91 122.92 3kcy h THR 65 Ca -0.33 -0.72 -0.38 0.00 -0.55 0.00 0.00 66.41 64.43 3kcy h THR 65 Cb 1.17 1.71 -0.41 0.00 -1.73 0.00 0.00 68.15 68.89 3kcy h THR 65 CO 0.60 0.00 -1.05 -0.90 -0.25 0.00 0.00 175.52 173.92 3kcy n ASP 66 N -2.99 2.45 0.04 5.36 5.75 -1.26 -4.55 116.55 121.35 3kcy n ASP 66 Ca 0.03 -2.75 -0.06 0.00 -0.01 0.00 0.00 54.79 52.00 3kcy n ASP 66 Cb 0.42 -0.47 -0.11 0.00 -1.03 0.00 0.00 41.12 39.92 3kcy n ASP 66 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 3kcy h THR 67 N 3.77 1.24 -0.46 2.12 1.35 -1.81 -3.44 112.91 115.69 3kcy h THR 67 Ca 0.01 -2.94 -0.20 0.00 -0.55 0.00 0.00 66.41 62.74 3kcy h THR 67 Cb 1.23 2.59 -0.08 0.00 -1.73 0.00 0.00 68.15 70.16 3kcy h THR 67 CO 0.47 0.71 -0.18 0.59 -0.25 0.00 0.00 175.52 176.86 3kcy n ASN 68 N -3.20 -5.17 -0.17 5.36 3.02 -1.26 -4.89 115.26 108.94 3kcy n ASN 68 Ca -0.06 0.24 -0.02 0.00 -0.03 0.00 0.00 54.58 54.71 3kcy n ASN 68 Cb 0.94 -3.52 0.05 0.00 -0.61 0.00 0.00 39.78 36.64 3kcy n ASN 68 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3kcy h LEU 69 N 0.00 -0.43 -3.59 3.41 5.85 -1.90 -2.28 115.31 116.37 3kcy h LEU 69 Ca -0.20 0.15 -0.38 0.00 0.84 0.00 0.00 57.88 58.30 3kcy h LEU 69 Cb 0.97 0.30 -0.24 0.00 0.37 0.00 0.00 40.66 42.07 3kcy h LEU 69 CO 0.29 -0.15 -0.13 1.33 -0.34 0.00 0.00 178.44 179.44 3kcy n VAL 70 N -5.35 2.75 -0.18 1.05 0.24 -1.26 -0.74 118.33 114.84 3kcy n VAL 70 Ca 0.06 -3.21 -0.04 0.00 -2.04 0.00 0.00 64.34 59.10 3kcy n VAL 70 Cb 0.29 -0.70 0.02 0.00 -1.47 0.00 0.00 33.84 31.97 3kcy n VAL 70 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 3kcy h TYR 71 N 1.51 -0.73 -0.00 6.34 3.20 -1.68 -0.56 116.97 125.04 3kcy h TYR 71 Ca 0.34 0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.27 3kcy h TYR 71 Cb 1.50 0.40 -0.00 0.00 1.54 0.00 0.00 36.73 40.18 3kcy h TYR 71 CO 1.07 -0.35 0.13 -1.35 -1.64 0.00 0.00 178.16 176.02 3kcy h PRO 72 N -0.14 0.00 0.00 1.82 0.11 -1.84 0.90 132.00 132.85 3kcy h PRO 72 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3kcy h PRO 72 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3kcy h PRO 72 CO -0.63 0.00 -0.76 0.00 -0.21 0.00 0.00 178.00 176.40 3kcy n ALA 73 N -2.01 3.59 0.16 -0.75 0.00 -0.25 -3.52 120.51 117.74 3kcy n ALA 73 Ca -0.03 -0.39 0.11 0.00 0.00 0.00 0.00 53.44 53.13 3kcy n ALA 73 Cb 0.19 -1.03 0.59 0.00 0.00 0.00 0.00 19.45 19.20 3kcy n ALA 73 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kcy n LEU 74 N -1.73 0.56 0.05 0.00 4.77 0.31 -0.69 117.00 120.27 3kcy n LEU 74 Ca 0.04 0.76 0.12 0.00 -0.03 0.00 0.00 56.01 56.90 3kcy n LEU 74 Cb 0.38 -0.83 0.16 0.00 -2.33 0.00 0.00 43.42 40.80 3kcy n LEU 74 CO 0.38 -0.95 0.31 2.29 -1.33 0.00 0.00 177.39 178.08 3kcy n LYS 75 N -2.26 0.26 -1.88 3.23 2.85 -1.23 -4.91 118.16 114.22 3kcy n LYS 75 Ca -0.01 0.06 -0.42 0.00 -1.05 0.00 0.00 58.31 56.89 3kcy n LYS 75 Cb 0.04 -1.65 -0.03 0.00 -0.65 0.00 0.00 35.03 32.74 3kcy n LYS 75 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 3kcy s TRP 76 N -3.15 2.82 0.00 5.58 0.51 0.14 -4.98 118.94 119.85 3kcy s TRP 76 Ca 0.06 0.46 0.00 0.00 -2.12 0.00 0.00 56.10 54.50 3kcy s TRP 76 Cb 0.14 -3.99 0.00 0.00 -0.81 0.00 0.00 33.47 28.81 3kcy s TRP 76 CO 0.73 -3.78 0.00 -0.40 -0.51 0.00 0.00 176.95 172.99 3kcy n ASP 77 N 4.49 1.53 -0.12 2.95 5.68 -1.26 -4.87 116.55 124.95 3kcy n ASP 77 Ca 0.15 -0.51 -0.11 0.00 -0.50 0.00 0.00 54.79 53.81 3kcy n ASP 77 Cb 0.38 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.34 3kcy n ASP 77 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3kcy h LEU 78 N 0.00 0.70 0.67 -2.12 3.38 -1.99 -2.79 115.31 113.16 3kcy h LEU 78 Ca 0.00 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 3kcy h LEU 78 Cb 0.00 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.56 3kcy h LEU 78 CO 0.00 0.91 -0.32 -0.08 0.09 0.00 0.00 178.44 179.04 3kcy h GLU 79 N 0.48 -0.87 -0.99 1.13 4.81 -2.00 -0.82 114.58 116.33 3kcy h GLU 79 Ca 0.09 0.06 0.20 0.00 -0.13 0.00 0.00 59.36 59.58 3kcy h GLU 79 Cb 0.62 0.20 -0.11 0.00 0.63 0.00 0.00 28.75 30.08 3kcy h GLU 79 CO 0.04 -0.55 0.58 -0.92 -0.73 0.00 0.00 179.01 177.44 3kcy h TYR 80 N -1.04 1.01 -0.02 0.92 3.20 -1.94 -2.07 116.97 117.03 3kcy h TYR 80 Ca -0.09 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.78 3kcy h TYR 80 Cb 0.72 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.70 3kcy h TYR 80 CO -0.01 0.17 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.49 3kcy h LEU 81 N 0.68 0.15 -0.93 2.82 3.38 -1.33 -2.52 115.31 117.56 3kcy h LEU 81 Ca 0.59 -0.66 0.12 0.00 0.09 0.00 0.00 57.88 58.02 3kcy h LEU 81 Cb 0.99 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.61 3kcy h LEU 81 CO -0.42 0.78 0.55 -0.61 0.09 0.00 0.00 178.44 178.84 3kcy h GLN 82 N -0.48 0.83 0.00 1.13 4.15 -0.87 -2.47 115.11 117.39 3kcy h GLN 82 Ca -0.01 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3kcy h GLN 82 Cb 0.78 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.28 3kcy h GLN 82 CO 0.02 0.55 0.00 -1.91 -1.93 0.00 0.00 178.83 175.56 3kcy n GLU 83 N -4.71 0.00 0.00 1.69 4.07 -0.80 -4.37 120.64 116.51 3kcy n GLU 83 Ca 0.17 0.57 0.11 0.00 -0.06 0.00 0.00 57.16 57.95 3kcy n GLU 83 Cb 0.37 -1.28 0.02 0.00 -0.06 0.00 0.00 31.44 30.48 3kcy n GLU 83 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3kcy n ASN 84 N -1.80 0.85 0.25 4.31 3.02 -0.95 -4.44 115.26 116.51 3kcy n ASN 84 Ca 0.00 -0.75 0.09 0.00 -0.03 0.00 0.00 54.58 53.88 3kcy n ASN 84 Cb 0.00 0.72 0.64 0.00 -0.61 0.00 0.00 39.78 40.53 3kcy n ASN 84 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3kcy h ILE 85 N 0.08 0.92 0.00 2.41 6.09 -1.65 -3.01 117.51 122.35 3kcy h ILE 85 Ca 0.00 -0.29 0.00 0.00 -1.37 0.00 0.00 64.86 63.20 3kcy h ILE 85 Cb 0.51 1.16 0.00 0.00 0.47 0.00 0.00 36.82 38.96 3kcy h ILE 85 CO 0.00 0.08 0.00 0.61 -3.07 0.00 0.00 178.15 175.77 3kcy n GLY 86 N -1.21 -1.28 0.05 8.18 0.00 -1.26 -2.12 105.19 107.54 3kcy n GLY 86 Ca -0.03 -2.09 0.06 0.00 0.00 0.00 0.00 46.02 43.97 3kcy n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kcy n ASN 87 N 0.00 2.16 -3.44 1.61 3.02 -1.26 -4.87 115.26 112.48 3kcy n ASN 87 Ca 0.00 -2.63 -0.23 0.00 -0.03 0.00 0.00 54.58 51.69 3kcy n ASN 87 Cb 0.00 -0.26 0.16 0.00 -0.61 0.00 0.00 39.78 39.08 3kcy n ASN 87 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kcy n GLY 88 N -1.04 -1.64 3.69 7.41 0.00 -1.26 -5.01 105.19 107.34 3kcy n GLY 88 Ca 0.09 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.05 3kcy n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kcy s ASP 89 N -4.58 6.94 -0.27 1.61 1.01 -1.26 -4.64 116.67 115.48 3kcy s ASP 89 Ca 0.57 1.14 0.01 0.00 0.71 0.00 0.00 52.55 54.98 3kcy s ASP 89 Cb -0.02 -2.42 0.05 0.00 1.01 0.00 0.00 42.92 41.54 3kcy s ASP 89 CO 0.41 -0.23 -0.07 -0.36 0.21 0.00 0.00 175.17 175.13 3kcy s PHE 90 N 1.38 3.23 -0.15 4.23 0.40 -0.09 -4.96 117.98 122.03 3kcy s PHE 90 Ca 0.37 -2.06 -0.33 0.00 -0.60 0.00 0.00 56.93 54.30 3kcy s PHE 90 Cb -0.17 -2.01 -0.10 0.00 0.51 0.00 0.00 43.02 41.25 3kcy s PHE 90 CO 0.15 -0.84 2.01 0.43 0.70 0.00 0.00 175.22 177.68 3kcy n SER 91 N 4.53 3.26 -4.13 1.36 7.64 -1.26 -3.15 113.62 121.86 3kcy n SER 91 Ca -0.14 0.73 -0.34 0.00 1.01 0.00 0.00 58.87 60.13 3kcy n SER 91 Cb 0.43 -1.40 -0.14 0.00 -1.01 0.00 0.00 64.21 62.09 3kcy n SER 91 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kcy s VAL 92 N 5.48 2.60 0.28 0.44 1.01 -0.23 -3.59 120.40 126.39 3kcy s VAL 92 Ca 0.97 -1.40 -0.22 0.00 0.00 0.00 0.00 61.98 61.33 3kcy s VAL 92 Cb -0.63 -2.45 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 3kcy s VAL 92 CO 0.47 0.01 0.83 -0.31 0.00 0.00 0.00 175.10 176.10 3kcy s TYR 93 N 1.21 3.63 -0.00 5.22 2.02 -0.78 -0.45 117.35 128.19 3kcy s TYR 93 Ca -0.05 1.55 0.05 0.00 -0.37 0.00 0.00 57.07 58.24 3kcy s TYR 93 Cb -0.19 -2.75 -0.01 0.00 -0.40 0.00 0.00 41.96 38.61 3kcy s TYR 93 CO -0.04 0.24 -0.16 0.45 -1.57 0.00 0.00 175.55 174.48 3kcy s SER 94 N -1.71 1.83 0.27 2.29 0.15 0.83 -1.43 113.70 115.93 3kcy s SER 94 Ca 0.48 -0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.85 3kcy s SER 94 Cb -0.17 -0.19 -0.06 0.00 -1.71 0.00 0.00 66.02 63.90 3kcy s SER 94 CO 0.21 0.16 0.01 0.00 1.20 0.00 0.00 173.24 174.82 3kcy s ALA 95 N -0.46 2.12 -0.48 5.45 0.00 -0.48 -1.33 121.76 126.56 3kcy s ALA 95 Ca 0.05 -1.90 0.13 0.00 0.00 0.00 0.00 51.96 50.25 3kcy s ALA 95 Cb -0.06 0.49 -0.16 0.00 0.00 0.00 0.00 23.12 23.39 3kcy s ALA 95 CO -0.00 -0.23 0.50 0.45 0.00 0.00 0.00 175.76 176.48 3kcy n SER 96 N -0.55 0.91 0.00 0.00 2.88 -1.25 -3.64 113.62 111.98 3kcy n SER 96 Ca -0.04 -0.63 0.00 0.00 -1.33 0.00 0.00 58.87 56.87 3kcy n SER 96 Cb 0.65 1.14 0.00 0.00 -0.75 0.00 0.00 64.21 65.25 3kcy n SER 96 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 3kcy n THR 97 N -1.46 0.00 0.09 2.46 5.66 -1.26 -4.87 114.28 114.89 3kcy n THR 97 Ca 0.01 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.90 3kcy n THR 97 Cb 0.24 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.95 3kcy n THR 97 CO 0.00 0.00 0.00 1.12 -3.05 0.00 0.00 175.07 173.14 3kcy h HIS 98 N 0.00 0.34 -3.56 1.09 -0.00 -1.93 -3.43 115.15 107.66 3kcy h HIS 98 Ca 0.00 -0.21 -0.52 0.00 -0.00 0.00 0.00 60.37 59.64 3kcy h HIS 98 Cb 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 3kcy h HIS 98 CO 0.00 1.09 0.36 0.15 -0.00 0.00 0.00 177.93 179.54 3kcy s LYS 99 N -2.96 4.69 -0.81 5.12 1.02 -1.26 -1.88 119.74 123.67 3kcy s LYS 99 Ca -0.03 1.46 0.02 0.00 0.02 0.00 0.00 55.97 57.44 3kcy s LYS 99 Cb 0.09 -3.38 0.25 0.00 -0.52 0.00 0.00 37.83 34.27 3kcy s LYS 99 CO 0.85 0.20 0.89 1.19 -0.92 0.00 0.00 175.35 177.56 3kcy n PHE 100 N 2.82 3.48 -2.06 3.18 3.01 -0.33 -4.73 117.46 122.82 3kcy n PHE 100 Ca 0.02 -3.83 -0.40 0.00 1.01 0.00 0.00 57.45 54.25 3kcy n PHE 100 Cb 0.49 -0.87 -0.03 0.00 -0.01 0.00 0.00 39.48 39.06 3kcy n PHE 100 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3kcy s LEU 101 N -2.15 3.36 1.01 4.37 1.02 -1.26 -4.67 118.68 120.35 3kcy s LEU 101 Ca 0.33 0.57 -0.12 0.00 0.02 0.00 0.00 54.13 54.93 3kcy s LEU 101 Cb 0.05 -2.82 0.19 0.00 0.02 0.00 0.00 46.19 43.63 3kcy s LEU 101 CO -0.03 -2.15 1.08 -0.47 0.02 0.00 0.00 176.35 174.80 3kcy s TYR 102 N 8.27 2.00 0.14 0.29 5.04 -1.26 -4.36 117.35 127.47 3kcy s TYR 102 Ca 0.69 1.10 -0.21 0.00 -2.44 0.00 0.00 57.07 56.21 3kcy s TYR 102 Cb -0.15 -3.21 0.06 0.00 0.35 0.00 0.00 41.96 39.00 3kcy s TYR 102 CO 0.24 -2.97 0.53 1.52 -1.34 0.00 0.00 175.55 173.53 3kcy s TYR 103 N -2.86 -0.42 -0.24 4.97 1.13 -1.26 -4.77 117.35 113.90 3kcy s TYR 103 Ca 0.65 0.20 -0.23 0.00 -1.41 0.00 0.00 57.07 56.28 3kcy s TYR 103 Cb -0.20 0.43 -0.01 0.00 -1.10 0.00 0.00 41.96 41.09 3kcy s TYR 103 CO 0.59 -0.78 0.77 0.34 -2.51 0.00 0.00 175.55 173.96 3kcy s ASP 104 N -2.68 6.76 0.06 -0.18 -1.08 -0.57 -4.97 116.67 114.01 3kcy s ASP 104 Ca 0.01 0.95 -0.25 0.00 -0.52 0.00 0.00 52.55 52.73 3kcy s ASP 104 Cb 0.00 -2.41 -0.17 0.00 -1.46 0.00 0.00 42.92 38.89 3kcy s ASP 104 CO -0.11 -0.46 1.59 -0.33 0.52 0.00 0.00 175.17 176.38 3kcy h GLU 105 N 7.71 -0.21 -0.29 4.34 5.08 -2.00 -2.93 114.58 126.28 3kcy h GLU 105 Ca -0.25 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.21 3kcy h GLU 105 Cb 1.11 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 3kcy h GLU 105 CO 0.84 -0.05 0.74 0.87 -1.00 0.00 0.00 179.01 180.41 3kcy h LYS 106 N -0.32 0.00 -0.00 2.33 6.56 -1.99 -2.54 116.57 120.61 3kcy h LYS 106 Ca -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 3kcy h LYS 106 Cb 0.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 3kcy h LYS 106 CO 0.04 0.00 -0.87 1.63 -2.06 0.00 0.00 179.45 178.19 3kcy n LYS 107 N -2.99 0.24 0.09 3.15 5.02 -1.11 -4.37 118.16 118.19 3kcy n LYS 107 Ca 0.06 -0.19 0.04 0.00 -2.02 0.00 0.00 58.31 56.20 3kcy n LYS 107 Cb 0.85 -1.50 0.47 0.00 -0.02 0.00 0.00 35.03 34.83 3kcy n LYS 107 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 3kcy h MET 108 N 0.47 0.33 -0.99 1.97 2.86 -1.57 -1.51 114.93 116.49 3kcy h MET 108 Ca 0.00 -0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.72 3kcy h MET 108 Cb 0.55 -0.07 -0.08 0.00 0.06 0.00 0.00 31.60 32.06 3kcy h MET 108 CO 0.00 0.28 0.62 0.00 1.06 0.00 0.00 176.91 178.87 3kcy h ALA 109 N 1.78 1.48 -0.81 6.32 0.00 -1.81 -2.21 119.26 124.01 3kcy h ALA 109 Ca 0.09 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3kcy h ALA 109 Cb 0.07 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 3kcy h ALA 109 CO -0.01 0.25 0.53 -0.91 0.00 0.00 0.00 179.25 179.11 3kcy h ASN 110 N 1.01 0.79 -2.86 0.00 2.35 -1.56 -3.38 115.58 111.94 3kcy h ASN 110 Ca 0.48 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.63 3kcy h ASN 110 Cb 0.44 -0.17 -0.41 0.00 0.05 0.00 0.00 38.32 38.23 3kcy h ASN 110 CO -0.25 0.52 -0.66 0.49 -1.65 0.00 0.00 177.43 175.87 3kcy n PHE 111 N -4.48 2.37 -0.29 1.19 3.01 -0.83 -4.84 117.46 113.59 3kcy n PHE 111 Ca 0.12 -4.09 0.09 0.00 1.01 0.00 0.00 57.45 54.58 3kcy n PHE 111 Cb 0.20 -0.44 0.22 0.00 -0.01 0.00 0.00 39.48 39.45 3kcy n PHE 111 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 3kcy h GLN 112 N 5.33 0.09 -2.65 -1.08 1.08 -1.75 -2.93 115.11 113.19 3kcy h GLN 112 Ca 0.18 -0.01 -0.79 0.00 -1.45 0.00 0.00 58.65 56.58 3kcy h GLN 112 Cb 0.78 -0.02 -0.29 0.00 -0.05 0.00 0.00 27.48 27.90 3kcy h GLN 112 CO 0.65 0.06 0.72 0.27 -0.95 0.00 0.00 178.83 179.58 3kcy n ASN 113 N -5.37 6.46 -4.38 1.46 6.94 -1.26 -4.98 115.26 114.13 3kcy n ASN 113 Ca 0.18 -3.51 -0.36 0.00 -0.02 0.00 0.00 54.58 50.87 3kcy n ASN 113 Cb 0.59 -1.18 -0.13 0.00 -2.36 0.00 0.00 39.78 36.70 3kcy n ASN 113 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 3kcy s PHE 114 N -3.24 3.08 -0.53 -2.53 5.36 -1.11 -5.08 117.98 113.93 3kcy s PHE 114 Ca 0.34 -0.75 -0.19 0.00 -0.96 0.00 0.00 56.93 55.37 3kcy s PHE 114 Cb 0.10 -2.21 0.06 0.00 -0.34 0.00 0.00 43.02 40.64 3kcy s PHE 114 CO 0.03 -0.48 0.66 -1.59 -1.46 0.00 0.00 175.22 172.37 3kcy s LYS 115 N 1.54 3.12 -0.08 10.12 -2.85 -1.26 -5.05 119.74 125.28 3kcy s LYS 115 Ca 0.05 -0.93 -0.30 0.00 -1.00 0.00 0.00 55.97 53.79 3kcy s LYS 115 Cb -0.16 -4.13 -0.03 0.00 -2.06 0.00 0.00 37.83 31.46 3kcy s LYS 115 CO 0.01 -1.30 1.23 -2.14 0.10 0.00 0.00 175.35 173.26 3kcy s PRO 116 N 2.73 4.32 0.00 1.78 0.02 -1.26 -4.95 135.00 137.63 3kcy s PRO 116 Ca 0.15 1.69 0.23 0.00 0.02 0.00 0.00 61.00 63.09 3kcy s PRO 116 Cb -0.20 -3.62 0.16 0.00 0.02 0.00 0.00 34.50 30.87 3kcy s PRO 116 CO 0.11 -0.53 1.18 0.54 -0.33 0.00 0.00 177.00 177.98 3kcy n ARG 117 N 5.60 0.55 -4.17 5.54 5.12 -1.26 -4.96 116.66 123.08 3kcy n ARG 117 Ca 0.12 -0.42 -0.24 0.00 -1.93 0.00 0.00 57.85 55.38 3kcy n ARG 117 Cb 0.46 -1.49 -0.07 0.00 -1.16 0.00 0.00 32.46 30.19 3kcy n ARG 117 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3kcy s SER 118 N -2.74 4.47 -0.16 0.55 1.04 -1.26 -3.75 113.70 111.86 3kcy s SER 118 Ca 0.15 -0.92 -0.06 0.00 0.48 0.00 0.00 55.95 55.61 3kcy s SER 118 Cb 0.18 -0.61 0.08 0.00 0.10 0.00 0.00 66.02 65.77 3kcy s SER 118 CO 0.68 -0.35 0.33 0.20 0.98 0.00 0.00 173.24 175.08 3kcy s ASN 119 N -3.83 0.08 0.11 7.02 0.01 -0.44 -4.94 114.94 112.95 3kcy s ASN 119 Ca 0.38 0.77 -0.30 0.00 -0.71 0.00 0.00 52.86 53.00 3kcy s ASN 119 Cb -0.00 0.99 -0.07 0.00 0.41 0.00 0.00 41.25 42.58 3kcy s ASN 119 CO 0.22 -0.24 1.17 -0.60 -1.51 0.00 0.00 177.10 176.14 3kcy s ARG 120 N 2.51 4.49 -0.07 -0.60 3.52 -1.26 -0.12 118.95 127.41 3kcy s ARG 120 Ca -0.00 1.77 -0.01 0.00 -0.13 0.00 0.00 55.73 57.36 3kcy s ARG 120 Cb -0.12 -3.31 0.03 0.00 -1.56 0.00 0.00 34.95 29.99 3kcy s ARG 120 CO -0.10 -0.13 -0.00 -2.00 -0.81 0.00 0.00 175.30 172.25 3kcy s GLU 121 N 0.43 0.62 0.41 5.12 2.12 0.40 -4.97 118.70 122.84 3kcy s GLU 121 Ca 0.55 0.08 -0.25 0.00 0.36 0.00 0.00 54.97 55.71 3kcy s GLU 121 Cb -0.30 -0.94 -0.08 0.00 0.26 0.00 0.00 34.13 33.06 3kcy s GLU 121 CO 0.32 -0.28 1.25 -1.21 -0.54 0.00 0.00 175.26 174.81 3kcy s GLU 122 N 1.83 3.94 0.10 4.30 0.41 -1.26 -1.07 118.70 126.95 3kcy s GLU 122 Ca 0.03 2.04 -0.10 0.00 -0.41 0.00 0.00 54.97 56.52 3kcy s GLU 122 Cb -0.12 -2.68 0.04 0.00 -1.78 0.00 0.00 34.13 29.58 3kcy s GLU 122 CO -0.05 -0.48 0.50 0.00 -0.49 0.00 0.00 175.26 174.74 3kcy n MET 123 N 0.01 0.33 -4.46 1.61 0.00 -1.19 -4.92 117.12 108.51 3kcy n MET 123 Ca 0.04 -0.74 -0.33 0.00 0.00 0.00 0.00 57.70 56.67 3kcy n MET 123 Cb 0.45 1.00 -0.10 0.00 0.00 0.00 0.00 33.22 34.57 3kcy n MET 123 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 3kcy s LYS 124 N -2.03 2.64 0.23 3.17 -0.14 -1.26 -0.91 119.74 121.45 3kcy s LYS 124 Ca 0.11 -0.66 -0.09 0.00 -1.36 0.00 0.00 55.97 53.97 3kcy s LYS 124 Cb -0.01 -2.55 0.36 0.00 -1.68 0.00 0.00 37.83 33.94 3kcy s LYS 124 CO 0.03 0.62 1.35 0.34 -0.76 0.00 0.00 175.35 176.93 3kcy n PHE 125 N 1.69 0.25 0.11 3.18 7.35 -1.26 -0.33 117.46 128.44 3kcy n PHE 125 Ca -0.16 1.06 0.01 0.00 -0.76 0.00 0.00 57.45 57.61 3kcy n PHE 125 Cb 0.53 -0.96 0.34 0.00 0.35 0.00 0.00 39.48 39.74 3kcy n PHE 125 CO 0.00 0.00 0.00 1.12 -0.76 0.00 0.00 176.76 177.12 3kcy h HIS 126 N 0.00 0.25 0.45 -5.13 2.07 -1.95 0.18 115.15 111.02 3kcy h HIS 126 Ca 0.39 -0.04 -0.02 0.00 -2.85 0.00 0.00 60.37 57.85 3kcy h HIS 126 Cb 0.61 -0.07 -0.00 0.00 2.57 0.00 0.00 27.41 30.52 3kcy h HIS 126 CO -0.69 0.44 -0.25 0.93 -3.07 0.00 0.00 177.93 175.29 3kcy h GLU 127 N 0.21 -0.62 -0.47 5.12 5.08 -1.09 -0.25 114.58 122.55 3kcy h GLU 127 Ca 0.04 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3kcy h GLU 127 Cb 0.50 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.80 3kcy h GLU 127 CO 0.03 -0.42 -0.50 0.35 -1.00 0.00 0.00 179.01 177.48 3kcy h PHE 128 N -0.65 -1.50 -0.68 4.33 3.57 -1.22 0.34 116.94 121.12 3kcy h PHE 128 Ca -0.06 0.08 0.13 0.00 3.53 0.00 0.00 57.97 61.65 3kcy h PHE 128 Cb 0.52 0.72 -0.04 0.00 2.79 0.00 0.00 35.95 39.93 3kcy h PHE 128 CO -0.07 -0.46 0.46 0.28 -2.23 0.00 0.00 178.31 176.29 3kcy h VAL 129 N -0.33 0.84 0.12 1.41 2.07 -0.60 0.43 116.25 120.20 3kcy h VAL 129 Ca 0.12 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3kcy h VAL 129 Cb 0.58 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3kcy h VAL 129 CO -0.63 0.07 -0.06 -0.33 0.02 0.00 0.00 177.57 176.65 3kcy h GLU 130 N 0.40 -0.16 -1.18 1.57 5.08 -0.58 -1.15 114.58 118.56 3kcy h GLU 130 Ca 0.33 0.01 0.39 0.00 -1.00 0.00 0.00 59.36 59.09 3kcy h GLU 130 Cb 0.72 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 29.87 3kcy h GLU 130 CO -0.10 0.31 0.73 0.87 -1.00 0.00 0.00 179.01 179.83 3kcy h LYS 131 N -0.88 0.16 0.13 2.33 1.57 -0.13 0.28 116.57 120.03 3kcy h LYS 131 Ca -0.02 -0.01 -0.32 0.00 -1.87 0.00 0.00 60.65 58.44 3kcy h LYS 131 Cb 0.54 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 3kcy h LYS 131 CO 0.03 0.10 -1.59 1.25 -0.57 0.00 0.00 179.45 178.67 3kcy h LEU 132 N 0.16 0.45 -0.87 2.94 6.46 -0.98 -3.26 115.31 120.21 3kcy h LEU 132 Ca 0.78 -0.63 -0.11 0.00 -0.12 0.00 0.00 57.88 57.80 3kcy h LEU 132 Cb 2.22 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 41.99 3kcy h LEU 132 CO -0.49 1.53 -0.53 1.56 -0.62 0.00 0.00 178.44 179.89 3kcy h GLN 133 N 0.08 0.00 0.76 1.25 4.20 0.43 -2.37 115.11 119.47 3kcy h GLN 133 Ca -0.27 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.41 3kcy h GLN 133 Cb 2.04 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.82 3kcy h GLN 133 CO 0.17 0.53 -0.43 0.22 -0.67 0.00 0.00 178.83 178.65 3kcy h ASP 134 N 0.00 -1.07 -0.58 1.46 1.82 -0.67 -0.87 116.42 116.51 3kcy h ASP 134 Ca -0.01 0.05 0.10 0.00 -0.39 0.00 0.00 57.03 56.78 3kcy h ASP 134 Cb 0.99 0.30 -0.03 0.00 0.68 0.00 0.00 39.33 41.27 3kcy h ASP 134 CO 0.07 -0.69 0.39 0.40 -1.61 0.00 0.00 179.24 177.80 3kcy h ILE 135 N -1.11 0.90 0.00 2.25 2.04 -1.59 0.55 117.51 120.54 3kcy h ILE 135 Ca -0.10 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.55 3kcy h ILE 135 Cb 0.88 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3kcy h ILE 135 CO 0.13 0.07 -0.35 1.56 0.00 0.00 0.00 178.15 179.56 3kcy h GLN 136 N 0.39 0.00 0.00 2.37 4.20 -1.05 -1.96 115.11 119.05 3kcy h GLN 136 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3kcy h GLN 136 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3kcy h GLN 136 CO -0.07 0.35 -1.27 0.00 -0.67 0.00 0.00 178.83 177.17 3kcy n GLN 137 N -3.85 1.10 -0.00 1.46 0.00 -0.08 -4.60 117.38 111.40 3kcy n GLN 137 Ca -0.01 -0.08 0.05 0.00 0.00 0.00 0.00 57.00 56.96 3kcy n GLN 137 Cb 0.42 -1.32 -0.07 0.00 0.00 0.00 0.00 30.24 29.26 3kcy n GLN 137 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 3kcy n ARG 138 N -1.73 1.66 -1.79 2.61 1.85 0.17 -5.04 116.66 114.39 3kcy n ARG 138 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 3kcy n ARG 138 Cb 0.34 -1.15 0.00 0.00 -1.05 0.00 0.00 32.46 30.60 3kcy n ARG 138 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kcy n GLY 139 N 1.62 0.51 3.69 2.89 0.00 -0.74 -5.03 105.19 108.14 3kcy n GLY 139 Ca -0.00 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 3kcy n GLY 139 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kcy s GLY 140 N -2.91 1.58 -0.20 -0.02 0.00 -1.24 -5.04 107.32 99.50 3kcy s GLY 140 Ca 0.00 -0.26 -0.21 0.00 0.00 0.00 0.00 44.72 44.25 3kcy s GLY 140 CO 0.00 0.31 0.26 0.83 0.00 0.00 0.00 173.10 174.50 3kcy h GLU 141 N -1.79 0.03 -6.06 2.90 4.39 -1.97 -3.49 114.58 108.59 3kcy h GLU 141 Ca -0.53 -0.04 -0.57 0.00 0.34 0.00 0.00 59.36 58.56 3kcy h GLU 141 Cb 1.31 0.02 0.21 0.00 -0.10 0.00 0.00 28.75 30.19 3kcy h GLU 141 CO 0.57 1.02 -1.44 -1.91 -1.16 0.00 0.00 179.01 176.09 3kcy n GLU 142 N -4.36 0.01 -4.05 2.33 2.13 -1.26 -4.94 120.64 110.51 3kcy n GLU 142 Ca -0.31 0.01 -0.08 0.00 0.66 0.00 0.00 57.16 57.44 3kcy n GLU 142 Cb 0.70 -1.07 -0.10 0.00 0.27 0.00 0.00 31.44 31.24 3kcy n GLU 142 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3kcy s ARG 143 N -1.65 0.50 0.07 5.31 0.52 -1.24 -5.04 118.95 117.42 3kcy s ARG 143 Ca 0.49 -0.98 0.04 0.00 -0.52 0.00 0.00 55.73 54.76 3kcy s ARG 143 Cb -0.33 0.17 -0.03 0.00 0.52 0.00 0.00 34.95 35.29 3kcy s ARG 143 CO 0.74 -0.09 -0.12 -0.51 0.02 0.00 0.00 175.30 175.34 3kcy s LEU 144 N -2.36 2.28 0.21 2.53 1.43 -1.26 -1.39 118.68 120.12 3kcy s LEU 144 Ca -0.02 -0.61 0.05 0.00 -1.03 0.00 0.00 54.13 52.52 3kcy s LEU 144 Cb 0.01 -0.40 -0.05 0.00 0.03 0.00 0.00 46.19 45.79 3kcy s LEU 144 CO -0.07 -0.13 -0.08 -0.47 0.23 0.00 0.00 176.35 175.84 3kcy s TYR 145 N -1.40 1.59 -0.51 0.29 6.14 -0.52 -3.55 117.35 119.39 3kcy s TYR 145 Ca -0.04 -0.75 0.04 0.00 0.64 0.00 0.00 57.07 56.97 3kcy s TYR 145 Cb -0.09 -0.84 0.17 0.00 0.42 0.00 0.00 41.96 41.61 3kcy s TYR 145 CO 0.02 0.16 0.40 -0.11 0.64 0.00 0.00 175.55 176.65 3kcy n LEU 146 N -0.38 0.75 -4.55 6.97 0.00 0.01 -1.87 117.00 117.92 3kcy n LEU 146 Ca -0.07 -4.67 -0.41 0.00 0.00 0.00 0.00 56.01 50.86 3kcy n LEU 146 Cb 0.62 0.09 -0.03 0.00 0.00 0.00 0.00 43.42 44.10 3kcy n LEU 146 CO 0.36 1.83 1.26 -1.10 0.00 0.00 0.00 177.39 179.73 3kcy s GLN 147 N -0.49 3.24 -0.14 1.96 1.11 -1.24 -3.49 119.66 120.62 3kcy s GLN 147 Ca 0.30 -0.39 -0.01 0.00 0.01 0.00 0.00 55.36 55.27 3kcy s GLN 147 Cb 0.01 -4.45 0.04 0.00 -1.01 0.00 0.00 33.01 27.60 3kcy s GLN 147 CO -0.19 -2.20 -0.02 -1.14 0.01 0.00 0.00 175.29 171.75 3kcy s GLN 148 N 5.65 0.98 0.83 2.91 2.00 -1.05 -4.43 119.66 126.56 3kcy s GLN 148 Ca 0.39 -0.26 -0.14 0.00 -2.00 0.00 0.00 55.36 53.36 3kcy s GLN 148 Cb -0.07 -1.65 0.05 0.00 0.80 0.00 0.00 33.01 32.15 3kcy s GLN 148 CO 0.10 -0.42 0.90 -2.37 -0.50 0.00 0.00 175.29 173.00 3kcy n THR 149 N 5.02 1.44 -3.29 -0.34 5.66 -1.26 -2.83 114.28 118.68 3kcy n THR 149 Ca -0.10 -0.23 -0.41 0.00 -3.05 0.00 0.00 64.05 60.27 3kcy n THR 149 Cb 0.49 -0.98 -0.08 0.00 -1.55 0.00 0.00 70.33 68.21 3kcy n THR 149 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3kcy s LEU 150 N -3.71 4.31 0.11 1.09 0.20 -0.44 -4.84 118.68 115.41 3kcy s LEU 150 Ca 0.68 0.01 -0.01 0.00 0.69 0.00 0.00 54.13 55.50 3kcy s LEU 150 Cb -0.28 -2.52 -0.04 0.00 -0.43 0.00 0.00 46.19 42.91 3kcy s LEU 150 CO 0.56 -0.40 0.03 0.54 -0.29 0.00 0.00 176.35 176.79 3kcy s ASN 151 N 1.72 0.41 0.28 3.68 2.20 -1.26 -4.77 114.94 117.20 3kcy s ASN 151 Ca 0.17 -1.15 0.11 0.00 -0.94 0.00 0.00 52.86 51.04 3kcy s ASN 151 Cb -0.16 0.26 0.36 0.00 -2.00 0.00 0.00 41.25 39.72 3kcy s ASN 151 CO 0.12 -0.68 0.58 -0.90 -2.94 0.00 0.00 177.10 173.27 3kcy n ASP 152 N -0.05 0.00 -0.83 3.54 3.85 -1.26 -3.54 116.55 118.25 3kcy n ASP 152 Ca -0.08 0.33 0.00 0.00 -0.71 0.00 0.00 54.79 54.34 3kcy n ASP 152 Cb 0.63 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 40.30 3kcy n ASP 152 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3kcy n THR 153 N -2.08 0.26 -4.49 2.12 -2.24 -1.26 -4.81 114.28 101.78 3kcy n THR 153 Ca 0.09 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.53 3kcy n THR 153 Cb 0.67 -0.53 -0.11 0.00 -2.10 0.00 0.00 70.33 68.26 3kcy n THR 153 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3kcy s VAL 154 N 0.08 3.90 0.99 2.28 -7.23 -1.23 -4.33 120.40 114.86 3kcy s VAL 154 Ca 0.00 -0.38 -0.12 0.00 -1.81 0.00 0.00 61.98 59.67 3kcy s VAL 154 Cb 0.00 -2.65 0.15 0.00 0.56 0.00 0.00 36.38 34.44 3kcy s VAL 154 CO 0.00 0.56 0.87 0.61 -0.31 0.00 0.00 175.10 176.83 3kcy n GLY 155 N 2.71 -1.23 0.30 2.32 0.00 -0.90 -4.65 105.19 103.74 3kcy n GLY 155 Ca -0.18 -0.82 -0.03 0.00 0.00 0.00 0.00 46.02 44.99 3kcy n GLY 155 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kcy h ARG 156 N -2.00 -0.09 0.00 1.61 2.47 -1.95 -1.62 114.38 112.80 3kcy h ARG 156 Ca -0.48 0.01 -0.10 0.00 -1.26 0.00 0.00 59.98 58.15 3kcy h ARG 156 Cb 1.29 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.62 3kcy h ARG 156 CO 0.41 -0.06 -0.46 0.87 0.56 0.00 0.00 179.97 181.28 3kcy h LYS 157 N -0.09 0.00 -0.08 0.04 6.56 -1.91 -0.15 116.57 120.94 3kcy h LYS 157 Ca 0.27 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.69 3kcy h LYS 157 Cb 0.52 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.18 3kcy h LYS 157 CO -0.68 0.46 -0.70 0.82 -2.06 0.00 0.00 179.45 177.30 3kcy h ILE 158 N 0.00 1.39 -0.44 1.86 1.08 -1.67 -2.03 117.51 117.70 3kcy h ILE 158 Ca -0.00 -2.12 -0.12 0.00 -0.39 0.00 0.00 64.86 62.23 3kcy h ILE 158 Cb 0.86 2.09 -0.01 0.00 -3.07 0.00 0.00 36.82 36.68 3kcy h ILE 158 CO 0.06 0.63 -0.20 0.58 -0.69 0.00 0.00 178.15 178.54 3kcy h VAL 159 N 0.25 1.27 0.10 1.67 2.07 -0.59 -1.14 116.25 119.88 3kcy h VAL 159 Ca -0.02 -1.33 0.02 0.00 0.82 0.00 0.00 66.70 66.18 3kcy h VAL 159 Cb 1.26 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 3kcy h VAL 159 CO 0.12 0.45 -0.46 0.24 0.02 0.00 0.00 177.57 177.94 3kcy h MET 160 N 0.76 -0.66 -0.18 1.57 2.86 -0.95 0.01 114.93 118.35 3kcy h MET 160 Ca 0.11 0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.84 3kcy h MET 160 Cb 0.74 0.15 -0.07 0.00 0.06 0.00 0.00 31.60 32.47 3kcy h MET 160 CO 0.06 -0.44 -0.39 -0.44 1.06 0.00 0.00 176.91 176.76 3kcy h ASP 161 N -0.68 -1.23 -0.85 1.22 3.32 -1.14 0.17 116.42 117.23 3kcy h ASP 161 Ca 0.02 0.17 0.19 0.00 0.02 0.00 0.00 57.03 57.43 3kcy h ASP 161 Cb 0.71 0.52 -0.12 0.00 0.22 0.00 0.00 39.33 40.66 3kcy h ASP 161 CO -0.28 -0.40 0.35 0.15 -1.72 0.00 0.00 179.24 177.35 3kcy h PHE 162 N -0.43 0.58 0.00 4.55 3.57 -1.13 0.89 116.94 124.98 3kcy h PHE 162 Ca 0.09 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 3kcy h PHE 162 Cb 0.60 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 3kcy h PHE 162 CO -0.49 -0.01 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.34 3kcy h LEU 163 N 0.41 0.00 -0.09 0.59 3.38 0.94 -2.26 115.31 118.27 3kcy h LEU 163 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 3kcy h LEU 163 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3kcy h LEU 163 CO -0.49 0.18 0.00 0.61 0.09 0.00 0.00 178.44 178.82 3kcy n GLY 164 N -0.50 -0.88 3.86 0.83 0.00 0.30 -4.90 105.19 103.91 3kcy n GLY 164 Ca -0.01 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 3kcy n GLY 164 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kcy s PHE 165 N -1.97 3.28 -0.79 1.61 0.08 -0.85 -4.46 117.98 114.88 3kcy s PHE 165 Ca 0.05 1.17 -0.06 0.00 0.12 0.00 0.00 56.93 58.21 3kcy s PHE 165 Cb 0.02 -2.97 -0.06 0.00 -0.57 0.00 0.00 43.02 39.45 3kcy s PHE 165 CO 0.04 -1.18 2.99 -1.71 -0.10 0.00 0.00 175.22 175.26 3kcy n ASN 166 N -3.04 7.00 -0.31 1.36 2.85 0.08 -4.71 115.26 118.49 3kcy n ASN 166 Ca 0.07 -2.83 -0.01 0.00 -0.11 0.00 0.00 54.58 51.70 3kcy n ASN 166 Cb 0.56 -1.39 0.03 0.00 1.24 0.00 0.00 39.78 40.22 3kcy n ASN 166 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 3kcy n TRP 167 N 2.18 0.03 -0.27 1.20 7.02 -1.26 0.09 117.44 126.43 3kcy n TRP 167 Ca 0.57 1.01 0.02 0.00 -1.02 0.00 0.00 57.50 58.08 3kcy n TRP 167 Cb 0.52 -0.81 0.10 0.00 -2.42 0.00 0.00 31.31 28.70 3kcy n TRP 167 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 3kcy h ASN 168 N 0.00 -0.70 0.44 -0.99 -1.24 -1.99 0.43 115.58 111.53 3kcy h ASN 168 Ca 0.29 0.23 -0.02 0.00 0.71 0.00 0.00 56.30 57.51 3kcy h ASN 168 Cb 0.49 0.48 0.00 0.00 0.73 0.00 0.00 38.32 40.02 3kcy h ASN 168 CO -0.81 -0.25 -0.21 -0.25 -1.29 0.00 0.00 177.43 174.61 3kcy h TRP 169 N 0.00 -0.55 -0.57 0.67 7.01 -0.74 -2.52 115.95 119.25 3kcy h TRP 169 Ca 0.38 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.30 3kcy h TRP 169 Cb 0.58 0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.80 3kcy h TRP 169 CO -0.61 -0.23 0.10 0.97 -2.79 0.00 0.00 178.44 175.89 3kcy h ILE 170 N -0.91 1.24 -0.52 2.65 2.10 0.02 -1.62 117.51 120.47 3kcy h ILE 170 Ca -0.06 -0.92 -0.07 0.00 1.08 0.00 0.00 64.86 64.89 3kcy h ILE 170 Cb 0.57 0.69 -0.02 0.00 -1.09 0.00 0.00 36.82 36.97 3kcy h ILE 170 CO 0.10 0.34 0.03 0.78 -1.08 0.00 0.00 178.15 178.32 3kcy h ASN 171 N 0.87 0.82 1.09 2.19 4.21 -0.29 -2.72 115.58 121.73 3kcy h ASN 171 Ca 0.18 -0.19 -0.04 0.00 1.21 0.00 0.00 56.30 57.46 3kcy h ASN 171 Cb 0.36 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.34 3kcy h ASN 171 CO 0.01 0.86 -0.18 0.50 -1.29 0.00 0.00 177.43 177.33 3kcy h LYS 172 N 0.80 0.00 0.08 0.81 3.64 -0.92 -1.70 116.57 119.28 3kcy h LYS 172 Ca 0.16 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.29 3kcy h LYS 172 Cb 0.44 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3kcy h LYS 172 CO 0.02 0.18 -1.13 1.96 -2.27 0.00 0.00 179.45 178.20 3kcy h GLN 173 N 0.00 0.25 -0.44 1.90 1.08 -1.10 -2.75 115.11 114.06 3kcy h GLN 173 Ca -0.00 -0.38 -0.03 0.00 -1.45 0.00 0.00 58.65 56.78 3kcy h GLN 173 Cb 0.77 0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.32 3kcy h GLN 173 CO 0.02 1.15 0.15 0.37 -0.95 0.00 0.00 178.83 179.57 3kcy h GLN 174 N 0.09 0.67 0.40 1.46 4.15 -1.24 -3.22 115.11 117.42 3kcy h GLN 174 Ca -0.10 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.16 3kcy h GLN 174 Cb 1.84 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 29.43 3kcy h GLN 174 CO 0.18 0.64 -0.23 0.78 -1.93 0.00 0.00 178.83 178.27 3kcy h GLY 175 N 0.56 -0.77 1.59 2.39 0.00 -1.30 -2.27 103.07 103.29 3kcy h GLY 175 Ca 0.14 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.78 3kcy h GLY 175 CO -0.01 -0.27 0.15 0.50 0.00 0.00 0.00 176.54 176.92 3kcy h LYS 176 N -0.59 0.00 0.00 4.80 1.57 -1.59 0.49 116.57 121.26 3kcy h LYS 176 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3kcy h LYS 176 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3kcy h LYS 176 CO 0.06 0.00 -1.22 0.54 -0.57 0.00 0.00 179.45 178.26 3kcy n ARG 177 N -2.22 1.24 -1.00 3.15 5.12 -1.16 -4.98 116.66 116.81 3kcy n ARG 177 Ca -0.01 -0.07 -0.00 0.00 -1.93 0.00 0.00 57.85 55.83 3kcy n ARG 177 Cb 0.18 -1.29 -0.00 0.00 -1.16 0.00 0.00 32.46 30.19 3kcy n ARG 177 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kcy n GLY 178 N 1.49 0.48 3.62 -0.13 0.00 0.16 -4.73 105.19 106.08 3kcy n GLY 178 Ca -0.00 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 3kcy n GLY 178 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3kcy n TRP 179 N -2.96 1.03 0.00 1.61 8.01 -1.08 -3.96 117.44 120.10 3kcy n TRP 179 Ca -0.00 0.47 0.00 0.00 -1.31 0.00 0.00 57.50 56.66 3kcy n TRP 179 Cb 0.02 -2.19 0.00 0.00 -2.01 0.00 0.00 31.31 27.14 3kcy n TRP 179 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3kcy n GLY 180 N 1.21 -1.48 3.74 6.99 0.00 0.49 -4.78 105.19 111.36 3kcy n GLY 180 Ca 0.12 -1.47 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 3kcy n GLY 180 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kcy s GLN 181 N 0.00 2.37 0.23 1.61 -2.07 -1.26 -4.48 119.66 116.06 3kcy s GLN 181 Ca 0.00 1.52 -0.31 0.00 -1.82 0.00 0.00 55.36 54.76 3kcy s GLN 181 Cb 0.00 -1.88 -0.11 0.00 -1.09 0.00 0.00 33.01 29.93 3kcy s GLN 181 CO 0.00 -1.61 1.58 -1.17 -1.32 0.00 0.00 175.29 172.77 3kcy s LEU 182 N -5.19 4.37 -0.15 2.60 0.20 -1.26 -2.62 118.68 116.63 3kcy s LEU 182 Ca 0.69 2.79 0.10 0.00 0.69 0.00 0.00 54.13 58.40 3kcy s LEU 182 Cb -0.24 -3.61 -0.16 0.00 -0.43 0.00 0.00 46.19 41.75 3kcy s LEU 182 CO 0.45 -0.86 0.01 0.35 -0.29 0.00 0.00 176.35 176.01 3kcy n THR 183 N 3.02 0.97 -3.84 3.68 -2.24 0.13 -4.94 114.28 111.05 3kcy n THR 183 Ca 0.11 -0.55 -0.06 0.00 -2.27 0.00 0.00 64.05 61.28 3kcy n THR 183 Cb 0.38 -0.73 0.02 0.00 -2.10 0.00 0.00 70.33 67.90 3kcy n THR 183 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kcy s SER 184 N -4.91 0.00 -0.33 3.42 1.04 -1.23 -5.01 113.70 106.68 3kcy s SER 184 Ca -0.10 -0.93 -0.02 0.00 0.48 0.00 0.00 55.95 55.38 3kcy s SER 184 Cb 0.05 0.70 0.12 0.00 0.10 0.00 0.00 66.02 66.98 3kcy s SER 184 CO 0.54 -1.38 0.16 0.20 0.98 0.00 0.00 173.24 173.74 3kcy s ASN 185 N -3.22 3.50 0.06 7.02 -0.87 -1.26 -3.14 114.94 117.03 3kcy s ASN 185 Ca 0.18 -1.76 -0.30 0.00 -1.57 0.00 0.00 52.86 49.41 3kcy s ASN 185 Cb -0.04 -0.55 -0.05 0.00 -0.02 0.00 0.00 41.25 40.60 3kcy s ASN 185 CO 0.09 -0.38 0.98 -0.22 -2.57 0.00 0.00 177.10 175.00 3kcy s LEU 186 N 1.52 4.44 -0.19 0.60 2.96 -0.94 -1.33 118.68 125.74 3kcy s LEU 186 Ca 0.13 1.74 -0.07 0.00 -0.22 0.00 0.00 54.13 55.71 3kcy s LEU 186 Cb -0.19 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.88 3kcy s LEU 186 CO -0.20 -0.17 0.06 -0.22 -1.32 0.00 0.00 176.35 174.50 3kcy s LEU 187 N 0.49 3.78 -0.04 -0.68 2.96 -1.13 -1.17 118.68 122.90 3kcy s LEU 187 Ca 0.50 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.50 3kcy s LEU 187 Cb -0.23 -1.96 -0.00 0.00 0.50 0.00 0.00 46.19 44.51 3kcy s LEU 187 CO 0.29 0.16 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.58 3kcy s LEU 188 N 0.45 1.86 -0.01 -0.68 1.02 -0.02 -2.52 118.68 118.78 3kcy s LEU 188 Ca 0.03 -0.28 0.00 0.00 0.02 0.00 0.00 54.13 53.90 3kcy s LEU 188 Cb -0.13 -0.80 0.01 0.00 0.02 0.00 0.00 46.19 45.30 3kcy s LEU 188 CO 0.01 0.12 -0.00 -0.63 0.02 0.00 0.00 176.35 175.86 3kcy s ILE 189 N 0.10 0.09 0.37 -0.59 1.01 -1.23 -1.55 121.20 119.40 3kcy s ILE 189 Ca -0.03 0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.56 3kcy s ILE 189 Cb -0.10 -0.14 0.04 0.00 0.01 0.00 0.00 42.46 42.26 3kcy s ILE 189 CO 0.01 0.08 0.66 0.61 0.00 0.00 0.00 174.94 176.30 3kcy n GLY 190 N 3.60 1.42 3.78 6.18 0.00 -1.15 -0.81 105.19 118.21 3kcy n GLY 190 Ca -0.20 -1.38 -0.26 0.00 0.00 0.00 0.00 46.02 44.18 3kcy n GLY 190 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kcy s MET 191 N -2.34 2.82 0.49 1.61 -1.94 -1.23 -1.90 119.30 116.80 3kcy s MET 191 Ca 0.20 -0.92 -0.21 0.00 -1.71 0.00 0.00 55.69 53.06 3kcy s MET 191 Cb -0.03 -2.59 -0.11 0.00 2.01 0.00 0.00 34.83 34.11 3kcy s MET 191 CO 0.15 0.48 0.57 -0.85 -0.01 0.00 0.00 175.02 175.35 3kcy n GLU 192 N -0.34 0.61 0.00 2.03 0.28 -1.18 -1.81 120.64 120.23 3kcy n GLU 192 Ca -0.08 0.23 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 3kcy n GLU 192 Cb 0.55 -1.64 0.00 0.00 1.43 0.00 0.00 31.44 31.78 3kcy n GLU 192 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kcy n GLY 193 N 1.74 2.94 3.55 -1.84 0.00 -0.57 -4.94 105.19 106.06 3kcy n GLY 193 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 3kcy n GLY 193 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kcy n ASN 194 N 0.25 0.49 -4.04 1.61 3.02 -0.75 -4.72 115.26 111.11 3kcy n ASN 194 Ca 0.00 1.04 -0.24 0.00 -0.03 0.00 0.00 54.58 55.34 3kcy n ASN 194 Cb 0.00 -1.24 -0.16 0.00 -0.61 0.00 0.00 39.78 37.76 3kcy n ASN 194 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kcy s VAL 195 N -1.27 1.14 -0.29 2.41 1.01 -0.79 -1.55 120.40 121.07 3kcy s VAL 195 Ca 0.62 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 62.01 3kcy s VAL 195 Cb -0.63 -1.03 -0.00 0.00 0.00 0.00 0.00 36.38 34.72 3kcy s VAL 195 CO 0.58 0.35 0.11 -0.89 0.00 0.00 0.00 175.10 175.24 3kcy s THR 196 N 0.48 4.26 0.58 3.92 2.01 0.53 -1.19 115.64 126.24 3kcy s THR 196 Ca -0.11 -0.50 -0.17 0.00 0.31 0.00 0.00 61.69 61.22 3kcy s THR 196 Cb -0.14 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 3kcy s THR 196 CO 0.03 0.12 1.09 -2.84 -0.69 0.00 0.00 174.62 172.33 3kcy s PRO 197 N 1.56 3.24 -0.10 4.92 0.02 -1.26 -0.90 135.00 142.48 3kcy s PRO 197 Ca 0.04 1.38 -0.41 0.00 0.02 0.00 0.00 61.00 62.03 3kcy s PRO 197 Cb -0.17 -2.01 -0.19 0.00 0.02 0.00 0.00 34.50 32.15 3kcy s PRO 197 CO 0.04 -0.90 1.23 0.00 -0.33 0.00 0.00 177.00 177.05 3kcy n ALA 198 N -1.81 -2.76 -3.30 -1.55 0.00 -1.21 -4.74 120.51 105.14 3kcy n ALA 198 Ca 0.10 0.56 -0.09 0.00 0.00 0.00 0.00 53.44 54.01 3kcy n ALA 198 Cb 0.52 -1.85 -0.04 0.00 0.00 0.00 0.00 19.45 18.08 3kcy n ALA 198 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3kcy s HIS 199 N 0.79 0.34 0.05 0.00 -3.43 -0.92 -2.47 115.29 109.65 3kcy s HIS 199 Ca 0.93 -0.73 0.04 0.00 -0.80 0.00 0.00 55.06 54.50 3kcy s HIS 199 Cb -1.27 0.29 -0.02 0.00 -1.43 0.00 0.00 32.58 30.15 3kcy s HIS 199 CO 0.61 -1.10 -0.13 1.52 -2.00 0.00 0.00 174.74 173.64 3kcy s TYR 200 N -3.73 1.12 0.33 0.38 -0.85 -1.00 -0.34 117.35 113.26 3kcy s TYR 200 Ca 0.21 -0.41 0.08 0.00 -0.52 0.00 0.00 57.07 56.43 3kcy s TYR 200 Cb -0.02 -0.65 -0.04 0.00 0.38 0.00 0.00 41.96 41.64 3kcy s TYR 200 CO 0.10 0.03 0.17 -0.51 -1.52 0.00 0.00 175.55 173.82 3kcy s ASP 201 N -1.45 4.86 0.00 -0.18 1.01 -1.26 -4.91 116.67 114.74 3kcy s ASP 201 Ca -0.02 -0.67 0.24 0.00 0.71 0.00 0.00 52.55 52.81 3kcy s ASP 201 Cb -0.09 -0.83 0.46 0.00 1.01 0.00 0.00 42.92 43.47 3kcy s ASP 201 CO 0.02 -0.27 1.41 -0.62 0.21 0.00 0.00 175.17 175.91 3kcy n GLU 202 N -1.18 2.22 -4.61 8.23 1.02 -1.26 -1.23 120.64 123.82 3kcy n GLU 202 Ca -0.03 -1.81 -0.33 0.00 -0.02 0.00 0.00 57.16 54.97 3kcy n GLU 202 Cb 0.61 -1.47 -0.11 0.00 -0.02 0.00 0.00 31.44 30.44 3kcy n GLU 202 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3kcy s GLN 203 N -1.81 2.60 0.42 3.49 -0.21 -1.26 -4.65 119.66 118.23 3kcy s GLN 203 Ca 0.33 -0.66 -0.26 0.00 0.02 0.00 0.00 55.36 54.79 3kcy s GLN 203 Cb 0.21 -2.50 -0.09 0.00 1.00 0.00 0.00 33.01 31.63 3kcy s GLN 203 CO 0.31 0.63 1.45 -0.65 -2.12 0.00 0.00 175.29 174.90 3kcy s GLN 204 N -1.06 3.85 -0.03 2.91 -1.52 -0.63 -4.07 119.66 119.11 3kcy s GLN 204 Ca 0.14 2.48 -0.02 0.00 -1.95 0.00 0.00 55.36 56.01 3kcy s GLN 204 Cb -0.11 -2.78 0.01 0.00 -0.22 0.00 0.00 33.01 29.92 3kcy s GLN 204 CO 0.04 -0.71 0.07 1.21 -0.25 0.00 0.00 175.29 175.65 3kcy s ASN 205 N -0.37 -0.05 -0.31 5.90 2.47 -0.73 -1.43 114.94 120.43 3kcy s ASN 205 Ca 0.58 0.14 -0.05 0.00 0.42 0.00 0.00 52.86 53.94 3kcy s ASN 205 Cb -0.45 0.11 0.03 0.00 -1.45 0.00 0.00 41.25 39.49 3kcy s ASN 205 CO 0.59 -0.05 0.06 -0.36 -3.72 0.00 0.00 177.10 173.62 3kcy s PHE 206 N 0.31 3.19 -0.45 0.43 0.08 -0.69 -1.34 117.98 119.51 3kcy s PHE 206 Ca -0.02 -1.33 -0.17 0.00 0.12 0.00 0.00 56.93 55.53 3kcy s PHE 206 Cb -0.03 -2.22 0.04 0.00 -0.57 0.00 0.00 43.02 40.24 3kcy s PHE 206 CO -0.01 -0.68 0.43 0.12 -0.10 0.00 0.00 175.22 174.97 3kcy s PHE 207 N 1.41 3.19 -0.31 0.36 2.19 0.17 -2.05 117.98 122.93 3kcy s PHE 207 Ca -0.00 -0.61 -0.07 0.00 0.33 0.00 0.00 56.93 56.58 3kcy s PHE 207 Cb -0.18 -3.01 0.02 0.00 -1.31 0.00 0.00 43.02 38.54 3kcy s PHE 207 CO 0.01 -0.76 0.09 0.00 1.83 0.00 0.00 175.22 176.40 3kcy s ALA 208 N 1.98 3.06 0.13 11.12 0.00 -0.66 0.27 121.76 137.65 3kcy s ALA 208 Ca 0.09 -1.57 -0.19 0.00 0.00 0.00 0.00 51.96 50.29 3kcy s ALA 208 Cb -0.20 -2.21 -0.07 0.00 0.00 0.00 0.00 23.12 20.64 3kcy s ALA 208 CO 0.11 -1.09 0.61 -1.14 0.00 0.00 0.00 175.76 174.25 3kcy s GLN 209 N 1.46 4.20 0.12 0.00 2.00 -0.43 -1.60 119.66 125.42 3kcy s GLN 209 Ca 0.01 0.75 0.00 0.00 -2.00 0.00 0.00 55.36 54.12 3kcy s GLN 209 Cb -0.18 -3.10 0.00 0.00 0.80 0.00 0.00 33.01 30.53 3kcy s GLN 209 CO 0.03 0.55 0.00 -0.89 -0.50 0.00 0.00 175.29 174.48 3kcy n ILE 210 N 1.31 0.78 -4.39 -2.34 5.41 -0.48 -0.87 119.36 118.77 3kcy n ILE 210 Ca -0.07 0.26 -0.20 0.00 1.00 0.00 0.00 62.75 63.74 3kcy n ILE 210 Cb 0.51 -1.31 -0.15 0.00 -0.71 0.00 0.00 39.64 37.98 3kcy n ILE 210 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 3kcy s LYS 211 N -2.00 0.86 0.00 0.38 2.20 -0.84 -4.39 119.74 115.95 3kcy s LYS 211 Ca 0.00 -0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.29 3kcy s LYS 211 Cb 0.00 -0.82 0.00 0.00 -1.51 0.00 0.00 37.83 35.50 3kcy s LYS 211 CO 0.00 0.16 0.00 0.41 -0.36 0.00 0.00 175.35 175.56 3kcy n GLY 212 N 3.06 -2.06 3.53 5.54 0.00 -1.25 0.04 105.19 114.05 3kcy n GLY 212 Ca -0.16 -1.49 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 3kcy n GLY 212 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kcy s TYR 213 N -2.18 3.07 0.02 1.61 1.51 -1.26 -4.26 117.35 115.87 3kcy s TYR 213 Ca 0.00 -0.21 0.04 0.00 -1.01 0.00 0.00 57.07 55.89 3kcy s TYR 213 Cb 0.00 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.84 3kcy s TYR 213 CO 0.00 0.01 -0.07 0.15 -1.11 0.00 0.00 175.55 174.53 3kcy s LYS 214 N 0.34 2.47 -0.23 -0.62 1.02 0.13 -2.36 119.74 120.47 3kcy s LYS 214 Ca -0.02 -0.79 -0.06 0.00 0.02 0.00 0.00 55.97 55.12 3kcy s LYS 214 Cb -0.14 -2.46 -0.02 0.00 -0.52 0.00 0.00 37.83 34.69 3kcy s LYS 214 CO 0.02 0.58 0.02 0.50 -0.92 0.00 0.00 175.35 175.55 3kcy s ARG 215 N -1.58 3.54 -0.21 1.68 3.52 -0.42 0.64 118.95 126.13 3kcy s ARG 215 Ca 0.18 -0.54 -0.06 0.00 -0.13 0.00 0.00 55.73 55.18 3kcy s ARG 215 Cb -0.11 -3.18 -0.03 0.00 -1.56 0.00 0.00 34.95 30.07 3kcy s ARG 215 CO 0.09 -0.18 0.02 0.00 -0.81 0.00 0.00 175.30 174.41 3kcy s ILE 217 N 1.02 3.97 0.11 0.00 1.01 -0.12 -1.55 121.20 125.65 3kcy s ILE 217 Ca 0.02 -0.30 0.08 0.00 0.00 0.00 0.00 60.65 60.45 3kcy s ILE 217 Cb -0.14 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 3kcy s ILE 217 CO 0.02 0.41 -0.16 -0.76 0.00 0.00 0.00 174.94 174.46 3kcy s LEU 218 N 1.14 2.80 -0.04 2.97 1.02 0.23 -0.51 118.68 126.29 3kcy s LEU 218 Ca 0.03 -0.51 0.03 0.00 0.02 0.00 0.00 54.13 53.70 3kcy s LEU 218 Cb -0.14 -1.63 0.00 0.00 0.02 0.00 0.00 46.19 44.44 3kcy s LEU 218 CO 0.02 0.18 -0.11 -0.36 0.02 0.00 0.00 176.35 176.09 3kcy s PHE 219 N -1.16 1.23 0.65 0.29 0.40 -0.99 0.00 117.98 118.40 3kcy s PHE 219 Ca 0.19 -0.36 -0.16 0.00 -0.60 0.00 0.00 56.93 56.00 3kcy s PHE 219 Cb -0.11 -0.88 -0.01 0.00 0.51 0.00 0.00 43.02 42.54 3kcy s PHE 219 CO 0.11 -0.16 1.13 -1.25 0.70 0.00 0.00 175.22 175.75 3kcy s PRO 220 N 0.30 2.80 0.38 0.24 0.04 -1.26 -1.10 135.00 136.40 3kcy s PRO 220 Ca -0.06 1.49 0.20 0.00 0.04 0.00 0.00 61.00 62.67 3kcy s PRO 220 Cb -0.11 -1.94 1.21 0.00 0.04 0.00 0.00 34.50 33.69 3kcy s PRO 220 CO 0.02 -1.26 1.67 -1.35 0.04 0.00 0.00 177.00 176.11 3kcy h PRO 221 N 0.20 0.24 0.00 0.56 0.11 -1.92 0.63 132.00 131.82 3kcy h PRO 221 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kcy h PRO 221 Cb 1.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kcy h PRO 221 CO 0.54 0.16 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 3kcy n ASP 222 N -4.87 0.00 -1.74 -2.05 5.75 -1.26 -0.76 116.55 111.61 3kcy n ASP 222 Ca 0.33 -1.19 0.08 0.00 -0.01 0.00 0.00 54.79 54.00 3kcy n ASP 222 Cb 1.11 0.00 0.38 0.00 -1.03 0.00 0.00 41.12 41.59 3kcy n ASP 222 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kcy n GLN 223 N -0.65 4.28 -0.37 0.11 6.02 0.21 -4.58 117.38 122.40 3kcy n GLN 223 Ca 0.05 -3.00 0.01 0.00 -0.01 0.00 0.00 57.00 54.05 3kcy n GLN 223 Cb 0.02 -2.07 0.07 0.00 1.02 0.00 0.00 30.24 29.29 3kcy n GLN 223 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 3kcy h PHE 224 N 4.08 -0.88 0.00 1.08 3.04 -1.15 -0.18 116.94 122.93 3kcy h PHE 224 Ca 0.00 0.10 0.00 0.00 3.98 0.00 0.00 57.97 62.05 3kcy h PHE 224 Cb 1.70 0.53 0.00 0.00 2.56 0.00 0.00 35.95 40.74 3kcy h PHE 224 CO 0.92 -0.41 0.00 -0.85 -2.02 0.00 0.00 178.31 175.95 3kcy n GLU 225 N -5.53 0.08 0.00 1.11 0.28 -1.26 -2.30 120.64 113.02 3kcy n GLU 225 Ca 0.12 0.13 0.12 0.00 -0.16 0.00 0.00 57.16 57.37 3kcy n GLU 225 Cb 0.43 -1.50 0.18 0.00 1.43 0.00 0.00 31.44 31.98 3kcy n GLU 225 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kcy n LEU 227 N -0.49 0.11 -3.38 0.00 4.77 -0.97 -3.23 117.00 113.81 3kcy n LEU 227 Ca 0.10 -0.21 -0.16 0.00 -0.03 0.00 0.00 56.01 55.71 3kcy n LEU 227 Cb 0.40 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.51 3kcy n LEU 227 CO 0.29 0.03 0.08 -1.22 -1.33 0.00 0.00 177.39 175.23 3kcy n TYR 228 N -1.46 -2.44 -1.70 -1.77 4.01 -1.12 -3.74 117.16 108.95 3kcy n TYR 228 Ca -0.00 0.84 -0.44 0.00 -0.16 0.00 0.00 57.90 58.14 3kcy n TYR 228 Cb 0.12 -3.73 -0.02 0.00 -0.31 0.00 0.00 39.34 35.40 3kcy n TYR 228 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3kcy n PRO 229 N -2.89 2.25 -1.29 -0.72 -0.04 -1.25 -1.55 135.00 129.50 3kcy n PRO 229 Ca -0.09 0.80 -0.40 0.00 -0.04 0.00 0.00 63.50 63.78 3kcy n PRO 229 Cb 0.58 -2.48 0.01 0.00 -0.04 0.00 0.00 33.50 31.57 3kcy n PRO 229 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3kcy n TYR 230 N 1.75 -2.38 -1.57 0.54 4.02 -0.73 -4.88 117.16 113.91 3kcy n TYR 230 Ca 0.10 0.50 -0.38 0.00 -0.01 0.00 0.00 57.90 58.11 3kcy n TYR 230 Cb 0.34 -1.75 0.05 0.00 -0.02 0.00 0.00 39.34 37.96 3kcy n TYR 230 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3kcy n PRO 231 N 1.25 0.75 -0.15 -0.72 -0.04 -1.26 -4.45 135.00 130.38 3kcy n PRO 231 Ca 0.09 0.30 0.07 0.00 -0.04 0.00 0.00 63.50 63.92 3kcy n PRO 231 Cb 0.45 -2.04 0.38 0.00 -0.04 0.00 0.00 33.50 32.25 3kcy n PRO 231 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3kcy h VAL 232 N 0.35 1.01 0.00 0.52 2.07 -1.94 -0.65 116.25 117.61 3kcy h VAL 232 Ca -0.48 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3kcy h VAL 232 Cb 1.38 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3kcy h VAL 232 CO 0.49 0.13 0.00 1.41 0.02 0.00 0.00 177.57 179.62 3kcy n HIS 233 N -4.48 0.44 -2.31 1.57 8.25 -1.26 -4.64 115.22 112.79 3kcy n HIS 233 Ca 0.10 0.13 -0.36 0.00 -0.26 0.00 0.00 57.72 57.33 3kcy n HIS 233 Cb 0.23 -0.71 -0.01 0.00 1.12 0.00 0.00 29.99 30.62 3kcy n HIS 233 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3kcy s HIS 234 N -3.06 2.89 0.50 4.41 5.04 -0.25 -4.84 115.29 119.98 3kcy s HIS 234 Ca 0.12 1.55 0.20 0.00 -1.54 0.00 0.00 55.06 55.39 3kcy s HIS 234 Cb 0.15 -3.31 1.27 0.00 0.04 0.00 0.00 32.58 30.74 3kcy s HIS 234 CO 0.54 -1.37 2.04 -1.35 -2.34 0.00 0.00 174.74 172.26 3kcy h PRO 235 N 1.88 0.09 -0.50 2.88 0.11 -1.84 0.11 132.00 134.74 3kcy h PRO 235 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kcy h PRO 235 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kcy h PRO 235 CO 0.60 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.45 3kcy n ASP 237 N -0.07 -0.66 0.00 0.00 2.03 0.39 -0.80 116.55 117.44 3kcy n ASP 237 Ca 0.03 0.63 0.00 0.00 0.52 0.00 0.00 54.79 55.97 3kcy n ASP 237 Cb 0.22 -0.52 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 3kcy n ASP 237 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3kcy n ARG 238 N 0.57 0.00 -2.76 -0.67 1.74 -1.26 -4.98 116.66 109.29 3kcy n ARG 238 Ca 0.10 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.96 3kcy n ARG 238 Cb 0.13 -1.98 0.03 0.00 -1.02 0.00 0.00 32.46 29.62 3kcy n ARG 238 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3kcy s GLN 239 N -0.01 2.75 -0.02 5.56 -0.21 0.02 -2.39 119.66 125.36 3kcy s GLN 239 Ca 0.00 -0.65 -0.02 0.00 0.02 0.00 0.00 55.36 54.72 3kcy s GLN 239 Cb 0.00 -2.51 -0.04 0.00 1.00 0.00 0.00 33.01 31.46 3kcy s GLN 239 CO 0.00 -0.55 0.10 0.45 -2.12 0.00 0.00 175.29 173.18 3kcy s SER 240 N -4.34 5.86 0.22 5.90 0.15 -1.03 -1.78 113.70 118.68 3kcy s SER 240 Ca 0.54 0.22 0.22 0.00 0.70 0.00 0.00 55.95 57.63 3kcy s SER 240 Cb -0.10 -1.74 0.02 0.00 -1.71 0.00 0.00 66.02 62.49 3kcy s SER 240 CO 0.38 0.29 1.08 1.56 1.20 0.00 0.00 173.24 177.76 3kcy h GLN 241 N 4.17 0.00 -6.25 5.44 4.20 -1.37 -3.46 115.11 117.84 3kcy h GLN 241 Ca -0.50 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 57.66 3kcy h GLN 241 Cb 1.19 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.95 3kcy h GLN 241 CO 0.63 0.01 0.99 0.08 -0.67 0.00 0.00 178.83 179.87 3kcy s VAL 242 N -3.34 3.81 -0.59 -0.54 1.01 -1.26 -4.95 120.40 114.53 3kcy s VAL 242 Ca 0.00 1.02 -0.27 0.00 0.00 0.00 0.00 61.98 62.73 3kcy s VAL 242 Cb 0.09 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 3kcy s VAL 242 CO 0.78 -0.07 1.68 -0.62 0.00 0.00 0.00 175.10 176.86 3kcy s ASP 243 N 2.67 5.64 0.44 3.32 2.15 -1.26 -4.92 116.67 124.71 3kcy s ASP 243 Ca 0.66 0.31 0.20 0.00 0.43 0.00 0.00 52.55 54.16 3kcy s ASP 243 Cb -0.30 -2.54 1.16 0.00 -0.30 0.00 0.00 42.92 40.95 3kcy s ASP 243 CO 0.24 -2.09 1.86 -0.26 -0.17 0.00 0.00 175.17 174.75 3kcy h PHE 244 N 13.22 0.44 0.00 -5.34 -1.00 -1.97 0.92 116.94 123.20 3kcy h PHE 244 Ca -0.27 0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.48 3kcy h PHE 244 Cb 1.13 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.55 3kcy h PHE 244 CO 1.04 0.11 -0.20 -0.44 -1.61 0.00 0.00 178.31 177.22 3kcy h ASP 245 N 0.32 0.00 -1.42 2.17 3.32 -1.91 -3.40 116.42 115.50 3kcy h ASP 245 Ca 0.46 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 57.11 3kcy h ASP 245 Cb 1.28 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.55 3kcy h ASP 245 CO -0.15 0.20 -0.80 -3.20 -1.72 0.00 0.00 179.24 173.57 3kcy n ASN 246 N -3.43 -1.49 -4.73 6.45 5.15 0.28 -5.08 115.26 112.42 3kcy n ASN 246 Ca -0.00 -2.80 -0.41 0.00 -0.60 0.00 0.00 54.58 50.77 3kcy n ASN 246 Cb 0.38 0.46 -0.04 0.00 -0.53 0.00 0.00 39.78 40.06 3kcy n ASN 246 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3kcy s PRO 247 N 0.02 4.64 -0.84 1.20 0.05 -0.98 -4.54 135.00 134.55 3kcy s PRO 247 Ca 0.33 1.54 -0.17 0.00 0.05 0.00 0.00 61.00 62.75 3kcy s PRO 247 Cb 0.11 -3.36 0.16 0.00 0.05 0.00 0.00 34.50 31.47 3kcy s PRO 247 CO -0.15 0.11 0.92 0.34 0.05 0.00 0.00 177.00 178.27 3kcy s ASP 248 N 0.17 6.61 0.34 6.66 -1.08 -1.26 -4.90 116.67 123.21 3kcy s ASP 248 Ca 0.49 -2.21 0.27 0.00 -0.52 0.00 0.00 52.55 50.58 3kcy s ASP 248 Cb -0.25 -2.31 1.08 0.00 -1.46 0.00 0.00 42.92 39.98 3kcy s ASP 248 CO 0.31 -0.88 1.79 1.88 0.52 0.00 0.00 175.17 178.79 3kcy h TYR 249 N 8.47 0.00 -0.22 -5.34 0.05 -1.93 0.12 116.97 118.11 3kcy h TYR 249 Ca 0.07 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.73 3kcy h TYR 249 Cb 1.04 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.78 3kcy h TYR 249 CO 1.07 0.00 -0.34 0.93 -1.05 0.00 0.00 178.16 178.76 3kcy h GLU 250 N 0.00 0.62 0.01 4.88 4.39 -1.97 -2.62 114.58 119.89 3kcy h GLU 250 Ca 0.00 -0.37 -0.22 0.00 0.34 0.00 0.00 59.36 59.10 3kcy h GLU 250 Cb 0.43 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3kcy h GLU 250 CO 0.00 0.98 -0.95 0.00 -1.16 0.00 0.00 179.01 177.89 3kcy h ARG 251 N 0.31 0.37 -2.19 2.33 3.08 -1.88 -3.39 114.38 113.01 3kcy h ARG 251 Ca 0.02 -0.41 -0.56 0.00 0.07 0.00 0.00 59.98 59.10 3kcy h ARG 251 Cb 0.93 0.12 -0.41 0.00 0.08 0.00 0.00 29.97 30.68 3kcy h ARG 251 CO 0.08 1.09 -0.80 1.19 -1.07 0.00 0.00 179.97 180.46 3kcy n PHE 252 N -3.72 2.85 0.21 3.04 3.72 0.36 -4.93 117.46 119.00 3kcy n PHE 252 Ca -0.06 -3.95 0.06 0.00 -0.05 0.00 0.00 57.45 53.44 3kcy n PHE 252 Cb 0.84 -0.47 0.48 0.00 -0.94 0.00 0.00 39.48 39.39 3kcy n PHE 252 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3kcy h PRO 253 N 3.15 0.00 0.00 -1.08 0.13 -1.68 -1.58 132.00 130.94 3kcy h PRO 253 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3kcy h PRO 253 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 3kcy h PRO 253 CO 0.72 0.25 0.00 0.09 -0.23 0.00 0.00 178.00 178.84 3kcy n ASN 254 N -4.08 0.00 -0.28 1.44 5.03 -1.26 -2.01 115.26 114.10 3kcy n ASN 254 Ca -0.02 0.06 0.03 0.00 0.87 0.00 0.00 54.58 55.52 3kcy n ASN 254 Cb 0.32 -0.33 0.24 0.00 -1.02 0.00 0.00 39.78 38.99 3kcy n ASN 254 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 3kcy h PHE 255 N 0.00 1.01 0.00 3.10 3.57 -1.25 -1.75 116.94 121.62 3kcy h PHE 255 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3kcy h PHE 255 Cb 0.26 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.66 3kcy h PHE 255 CO 0.00 0.57 0.29 1.04 -2.23 0.00 0.00 178.31 177.98 3kcy n GLN 256 N -4.46 0.07 -0.31 1.11 6.02 -0.85 -0.97 117.38 117.98 3kcy n GLN 256 Ca 0.12 0.51 0.08 0.00 -0.01 0.00 0.00 57.00 57.69 3kcy n GLN 256 Cb 0.15 -2.02 0.23 0.00 1.02 0.00 0.00 30.24 29.61 3kcy n GLN 256 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kcy n ASN 257 N -1.89 3.51 -4.74 1.08 4.13 -0.66 -5.01 115.26 111.69 3kcy n ASN 257 Ca -0.01 -2.22 -0.40 0.00 1.68 0.00 0.00 54.58 53.63 3kcy n ASN 257 Cb 0.31 -0.37 -0.05 0.00 -1.54 0.00 0.00 39.78 38.13 3kcy n ASN 257 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3kcy s VAL 258 N -1.40 4.71 -0.18 2.41 0.11 -0.14 -5.03 120.40 120.87 3kcy s VAL 258 Ca 0.34 1.76 -0.00 0.00 -2.93 0.00 0.00 61.98 61.15 3kcy s VAL 258 Cb 0.21 -4.18 0.05 0.00 -1.53 0.00 0.00 36.38 30.93 3kcy s VAL 258 CO 0.19 0.33 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.54 3kcy s VAL 259 N 0.10 1.24 0.73 2.04 1.01 -1.26 -4.27 120.40 119.99 3kcy s VAL 259 Ca 0.42 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 3kcy s VAL 259 Cb -0.21 -1.43 0.08 0.00 0.00 0.00 0.00 36.38 34.82 3kcy s VAL 259 CO 0.25 0.08 1.04 -0.83 0.00 0.00 0.00 175.10 175.64 3kcy s GLY 260 N 1.56 1.70 -0.11 4.51 0.00 -0.85 -4.84 107.32 109.29 3kcy s GLY 260 Ca -0.01 -1.00 0.03 0.00 0.00 0.00 0.00 44.72 43.74 3kcy s GLY 260 CO -0.08 -0.56 -0.20 -0.19 0.00 0.00 0.00 173.10 172.07 3kcy s TYR 261 N -3.29 2.36 0.15 1.90 2.02 0.10 -0.89 117.35 119.70 3kcy s TYR 261 Ca 0.62 -1.06 0.09 0.00 -0.37 0.00 0.00 57.07 56.34 3kcy s TYR 261 Cb -0.10 -1.62 -0.04 0.00 -0.40 0.00 0.00 41.96 39.80 3kcy s TYR 261 CO 0.45 -0.47 -0.19 -2.00 -1.57 0.00 0.00 175.55 171.77 3kcy s GLU 262 N 0.64 1.25 0.14 -0.62 2.12 0.17 0.74 118.70 123.14 3kcy s GLU 262 Ca -0.12 -1.36 -0.22 0.00 0.36 0.00 0.00 54.97 53.63 3kcy s GLU 262 Cb -0.16 -1.38 0.06 0.00 0.26 0.00 0.00 34.13 32.91 3kcy s GLU 262 CO 0.03 0.29 0.55 -0.08 -0.54 0.00 0.00 175.26 175.51 3kcy s THR 263 N -1.81 0.02 -0.15 -1.70 -1.32 -0.59 -0.27 115.64 109.81 3kcy s THR 263 Ca 0.14 -0.15 0.01 0.00 -1.21 0.00 0.00 61.69 60.48 3kcy s THR 263 Cb -0.07 -1.04 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 3kcy s THR 263 CO 0.06 -0.08 -0.18 -0.69 -2.21 0.00 0.00 174.62 171.52 3kcy s VAL 264 N -3.63 2.39 -0.02 5.08 1.01 -1.26 -1.42 120.40 122.56 3kcy s VAL 264 Ca 0.01 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.13 3kcy s VAL 264 Cb -0.00 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3kcy s VAL 264 CO -0.12 0.53 -0.00 0.68 0.00 0.00 0.00 175.10 176.19 3kcy s VAL 265 N 0.83 4.16 0.25 2.92 -7.23 0.21 -4.95 120.40 116.58 3kcy s VAL 265 Ca -0.06 -0.54 0.05 0.00 -1.81 0.00 0.00 61.98 59.62 3kcy s VAL 265 Cb -0.15 -2.83 -0.02 0.00 0.56 0.00 0.00 36.38 33.93 3kcy s VAL 265 CO -0.01 0.42 0.20 0.61 -0.31 0.00 0.00 175.10 176.00 3kcy n GLY 266 N 1.54 3.24 3.68 2.32 0.00 -1.26 -0.70 105.19 114.00 3kcy n GLY 266 Ca -0.15 -1.86 -0.56 0.00 0.00 0.00 0.00 46.02 43.45 3kcy n GLY 266 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kcy n PRO 267 N -0.49 1.24 0.00 1.61 -0.02 -1.26 -0.75 135.00 135.33 3kcy n PRO 267 Ca 0.05 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3kcy n PRO 267 Cb 0.44 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3kcy n PRO 267 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kcy n GLY 268 N 4.52 2.49 3.75 -1.23 0.00 -0.05 -4.95 105.19 109.72 3kcy n GLY 268 Ca 0.28 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 3kcy n GLY 268 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kcy s ASP 269 N 0.60 6.96 -0.21 1.61 1.01 0.07 -4.58 116.67 122.13 3kcy s ASP 269 Ca 0.00 2.43 -0.03 0.00 0.71 0.00 0.00 52.55 55.65 3kcy s ASP 269 Cb 0.00 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 3kcy s ASP 269 CO 0.00 -0.44 -0.06 -0.69 0.21 0.00 0.00 175.17 174.19 3kcy s VAL 270 N -0.46 3.27 -0.28 -1.27 1.01 -0.18 -1.31 120.40 121.18 3kcy s VAL 270 Ca 0.52 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 3kcy s VAL 270 Cb -0.36 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 3kcy s VAL 270 CO 0.42 0.44 0.26 -0.22 0.00 0.00 0.00 175.10 176.00 3kcy s LEU 271 N 1.38 4.06 -0.55 3.92 2.96 0.14 -0.08 118.68 130.52 3kcy s LEU 271 Ca 0.05 0.05 -0.24 0.00 -0.22 0.00 0.00 54.13 53.77 3kcy s LEU 271 Cb -0.14 -2.22 0.04 0.00 0.50 0.00 0.00 46.19 44.37 3kcy s LEU 271 CO -0.03 -0.11 0.91 -0.47 -1.32 0.00 0.00 176.35 175.32 3kcy s TYR 272 N 1.86 2.82 -0.52 5.38 5.04 -0.67 0.42 117.35 131.69 3kcy s TYR 272 Ca 0.10 -0.08 -0.20 0.00 -2.44 0.00 0.00 57.07 54.45 3kcy s TYR 272 Cb -0.16 -4.03 0.05 0.00 0.35 0.00 0.00 41.96 38.18 3kcy s TYR 272 CO 0.11 -1.33 0.70 0.42 -1.34 0.00 0.00 175.55 174.11 3kcy s ILE 273 N 3.82 4.77 0.72 3.14 1.01 -0.45 -3.36 121.20 130.84 3kcy s ILE 273 Ca 0.29 -0.33 -0.12 0.00 0.00 0.00 0.00 60.65 60.49 3kcy s ILE 273 Cb -0.13 -4.35 0.03 0.00 0.01 0.00 0.00 42.46 38.01 3kcy s ILE 273 CO 0.18 -0.88 1.09 -2.84 0.00 0.00 0.00 174.94 172.49 3kcy s PRO 274 N 2.92 2.59 -0.17 2.79 0.02 -1.26 -1.77 135.00 140.12 3kcy s PRO 274 Ca 0.18 1.17 -0.42 0.00 0.02 0.00 0.00 61.00 61.96 3kcy s PRO 274 Cb -0.18 -1.94 -0.19 0.00 0.02 0.00 0.00 34.50 32.21 3kcy s PRO 274 CO 0.13 -1.39 1.34 -1.33 -0.33 0.00 0.00 177.00 175.43 3kcy n MET 275 N -3.10 0.29 -0.25 5.54 2.81 -1.26 -2.29 117.12 118.86 3kcy n MET 275 Ca 0.09 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 3kcy n MET 275 Cb 0.53 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 3kcy n MET 275 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3kcy n TYR 276 N 2.80 0.00 -2.45 2.03 4.01 -0.37 -4.94 117.16 118.25 3kcy n TYR 276 Ca 0.24 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.56 3kcy n TYR 276 Cb 0.06 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 3kcy n TYR 276 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3kcy s TRP 277 N -3.15 3.47 0.62 -0.72 0.52 -0.97 -4.22 118.94 114.49 3kcy s TRP 277 Ca 0.00 1.38 -0.19 0.00 0.02 0.00 0.00 56.10 57.31 3kcy s TRP 277 Cb 0.00 -3.38 -0.02 0.00 -1.15 0.00 0.00 33.47 28.91 3kcy s TRP 277 CO 0.00 -1.09 1.26 -1.58 0.02 0.00 0.00 176.95 175.56 3kcy s TRP 278 N 0.78 2.23 0.02 -1.98 0.52 -0.26 -4.41 118.94 115.84 3kcy s TRP 278 Ca 0.56 1.49 -0.01 0.00 0.02 0.00 0.00 56.10 58.16 3kcy s TRP 278 Cb -0.29 -3.62 -0.02 0.00 -1.15 0.00 0.00 33.47 28.39 3kcy s TRP 278 CO 0.31 -2.63 -0.00 -3.38 0.02 0.00 0.00 176.95 171.26 3kcy s HIS 279 N -1.47 0.27 -0.02 -1.98 -3.43 0.54 -2.34 115.29 106.86 3kcy s HIS 279 Ca 0.80 -0.56 0.02 0.00 -0.80 0.00 0.00 55.06 54.51 3kcy s HIS 279 Cb -0.35 -0.20 0.01 0.00 -1.43 0.00 0.00 32.58 30.61 3kcy s HIS 279 CO 0.37 -0.24 -0.06 -1.58 -2.00 0.00 0.00 174.74 171.24 3kcy s HIS 280 N -1.87 0.69 -0.06 0.38 5.04 0.34 -2.17 115.29 117.63 3kcy s HIS 280 Ca -0.12 -0.16 -0.01 0.00 -1.54 0.00 0.00 55.06 53.23 3kcy s HIS 280 Cb -0.07 -0.54 0.03 0.00 0.04 0.00 0.00 32.58 32.04 3kcy s HIS 280 CO -0.02 -0.10 0.01 0.42 -2.34 0.00 0.00 174.74 172.71 3kcy s ILE 281 N 0.38 0.27 -0.15 0.89 1.01 -0.08 -0.94 121.20 122.58 3kcy s ILE 281 Ca -0.05 0.18 -0.00 0.00 0.00 0.00 0.00 60.65 60.78 3kcy s ILE 281 Cb -0.09 -0.44 0.03 0.00 0.01 0.00 0.00 42.46 41.97 3kcy s ILE 281 CO 0.00 0.24 -0.09 -1.83 0.00 0.00 0.00 174.94 173.26 3kcy s GLU 282 N 1.93 1.79 0.05 2.79 -1.05 -0.40 -0.35 118.70 123.46 3kcy s GLU 282 Ca 0.04 -0.52 -0.30 0.00 -0.15 0.00 0.00 54.97 54.03 3kcy s GLU 282 Cb -0.12 -2.00 -0.09 0.00 -0.44 0.00 0.00 34.13 31.48 3kcy s GLU 282 CO -0.04 -0.34 1.82 -1.12 0.95 0.00 0.00 175.26 176.53 3kcy s SER 283 N 1.57 6.50 0.45 0.83 0.01 -0.59 -1.30 113.70 121.17 3kcy s SER 283 Ca 0.03 2.59 -0.23 0.00 1.31 0.00 0.00 55.95 59.65 3kcy s SER 283 Cb -0.14 -2.55 -0.10 0.00 0.21 0.00 0.00 66.02 63.44 3kcy s SER 283 CO -0.09 -0.99 0.92 0.18 0.41 0.00 0.00 173.24 173.67 3kcy n LEU 284 N 6.61 2.29 -4.77 2.44 4.77 -1.00 -1.52 117.00 125.83 3kcy n LEU 284 Ca 0.18 0.98 -0.39 0.00 -0.03 0.00 0.00 56.01 56.75 3kcy n LEU 284 Cb 0.40 -1.32 -0.04 0.00 -2.33 0.00 0.00 43.42 40.14 3kcy n LEU 284 CO 0.65 -1.79 0.79 -0.76 -1.33 0.00 0.00 177.39 174.96 3kcy s LEU 285 N -0.33 4.41 0.00 2.23 1.02 -0.99 -2.33 118.68 122.69 3kcy s LEU 285 Ca 0.65 2.25 0.00 0.00 0.02 0.00 0.00 54.13 57.05 3kcy s LEU 285 Cb -0.54 -3.80 0.00 0.00 0.02 0.00 0.00 46.19 41.87 3kcy s LEU 285 CO 0.56 -0.30 0.00 0.59 0.02 0.00 0.00 176.35 177.21 3kcy n ASN 286 N 0.76 0.00 0.00 2.29 3.02 -1.26 -4.72 115.26 115.35 3kcy n ASN 286 Ca 0.01 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.62 3kcy n ASN 286 Cb 0.46 -1.36 0.29 0.00 -0.61 0.00 0.00 39.78 38.56 3kcy n ASN 286 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kcy n GLY 287 N -2.00 -0.78 6.55 7.41 0.00 -0.98 -5.02 105.19 110.37 3kcy n GLY 287 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3kcy n GLY 287 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcy n GLY 288 N -0.24 -2.05 3.89 -0.02 0.00 -1.26 -4.68 105.19 100.82 3kcy n GLY 288 Ca 0.05 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 3kcy n GLY 288 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kcy s ILE 289 N -0.07 3.18 0.09 -0.61 -4.36 -1.26 -3.10 121.20 115.06 3kcy s ILE 289 Ca 0.00 0.37 0.06 0.00 -0.26 0.00 0.00 60.65 60.83 3kcy s ILE 289 Cb 0.00 -3.38 -0.03 0.00 1.25 0.00 0.00 42.46 40.30 3kcy s ILE 289 CO 0.00 -0.50 -0.16 0.42 0.24 0.00 0.00 174.94 174.95 3kcy s THR 290 N -3.40 1.33 -0.02 8.37 -4.23 -0.80 -3.91 115.64 112.98 3kcy s THR 290 Ca 0.59 -1.47 -0.01 0.00 -1.18 0.00 0.00 61.69 59.62 3kcy s THR 290 Cb -0.11 -1.31 0.01 0.00 1.34 0.00 0.00 72.50 72.43 3kcy s THR 290 CO 0.51 -0.23 0.04 -0.63 -0.54 0.00 0.00 174.62 173.78 3kcy s ILE 291 N -1.45 -0.01 0.03 2.99 1.01 0.11 -2.91 121.20 120.96 3kcy s ILE 291 Ca 0.03 0.05 -0.06 0.00 0.00 0.00 0.00 60.65 60.67 3kcy s ILE 291 Cb -0.09 -0.08 -0.01 0.00 0.01 0.00 0.00 42.46 42.30 3kcy s ILE 291 CO 0.03 0.02 0.11 -0.89 0.00 0.00 0.00 174.94 174.21 3kcy s THR 292 N 0.29 0.12 -0.09 2.92 2.01 -0.59 -1.38 115.64 118.91 3kcy s THR 292 Ca -0.02 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.01 3kcy s THR 292 Cb -0.03 -0.77 0.02 0.00 0.01 0.00 0.00 72.50 71.73 3kcy s THR 292 CO -0.01 -0.54 -0.08 -0.69 -0.69 0.00 0.00 174.62 172.61 3kcy s VAL 293 N -2.29 0.96 0.10 3.82 1.01 -0.63 -0.84 120.40 122.54 3kcy s VAL 293 Ca -0.08 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.67 3kcy s VAL 293 Cb -0.03 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3kcy s VAL 293 CO -0.03 0.34 -0.05 0.54 0.00 0.00 0.00 175.10 175.91 3kcy s ASN 294 N 1.37 4.72 -0.12 3.32 2.20 -0.32 -1.66 114.94 124.45 3kcy s ASN 294 Ca -0.02 -0.29 -0.04 0.00 -0.94 0.00 0.00 52.86 51.57 3kcy s ASN 294 Cb -0.14 -1.02 -0.03 0.00 -2.00 0.00 0.00 41.25 38.06 3kcy s ASN 294 CO -0.04 0.17 0.02 -0.36 -2.94 0.00 0.00 177.10 173.96 3kcy s PHE 295 N -1.29 3.21 -0.11 1.54 0.40 -0.87 -2.21 117.98 118.65 3kcy s PHE 295 Ca 0.24 0.13 0.03 0.00 -0.60 0.00 0.00 56.93 56.73 3kcy s PHE 295 Cb -0.11 -1.90 -0.00 0.00 0.51 0.00 0.00 43.02 41.52 3kcy s PHE 295 CO 0.16 0.35 -0.21 -1.58 0.70 0.00 0.00 175.22 174.64 3kcy s TRP 296 N -0.42 2.62 0.02 0.36 0.51 -1.19 -1.70 118.94 119.14 3kcy s TRP 296 Ca 0.08 -0.97 0.06 0.00 -2.12 0.00 0.00 56.10 53.15 3kcy s TRP 296 Cb -0.12 -1.74 -0.03 0.00 -0.81 0.00 0.00 33.47 30.76 3kcy s TRP 296 CO 0.02 -0.38 -0.16 0.71 -0.51 0.00 0.00 176.95 176.62 3kcy s TYR 297 N 0.36 2.62 0.18 -1.98 1.51 -0.51 0.19 117.35 119.72 3kcy s TYR 297 Ca -0.17 -0.22 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 3kcy s TYR 297 Cb -0.17 -1.51 -0.08 0.00 -0.11 0.00 0.00 41.96 40.09 3kcy s TYR 297 CO 0.08 0.24 0.98 0.21 -1.11 0.00 0.00 175.55 175.95 3kcy s LYS 298 N -1.27 4.75 0.79 -0.62 2.20 -1.08 -1.61 119.74 122.91 3kcy s LYS 298 Ca 0.14 1.52 -0.12 0.00 -0.36 0.00 0.00 55.97 57.15 3kcy s LYS 298 Cb -0.11 -3.31 0.07 0.00 -1.51 0.00 0.00 37.83 32.97 3kcy s LYS 298 CO 0.04 0.33 1.11 0.20 -0.36 0.00 0.00 175.35 176.67 3kcy s GLY 299 N -0.57 1.62 0.15 5.54 0.00 -1.26 -0.38 107.32 112.42 3kcy s GLY 299 Ca 0.44 -0.30 -0.34 0.00 0.00 0.00 0.00 44.72 44.53 3kcy s GLY 299 CO 0.32 0.14 1.49 0.00 0.00 0.00 0.00 173.10 175.04 3kcy n ALA 300 N -3.37 0.70 -1.00 3.20 0.00 -1.25 -3.95 120.51 114.82 3kcy n ALA 300 Ca 0.07 0.46 -0.32 0.00 0.00 0.00 0.00 53.44 53.65 3kcy n ALA 300 Cb 0.57 -2.26 0.13 0.00 0.00 0.00 0.00 19.45 17.89 3kcy n ALA 300 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kcy s PRO 301 N 0.62 1.58 0.42 0.00 0.02 -1.26 -4.95 135.00 131.43 3kcy s PRO 301 Ca 0.79 1.57 -0.25 0.00 0.02 0.00 0.00 61.00 63.13 3kcy s PRO 301 Cb -0.75 -1.79 -0.08 0.00 0.02 0.00 0.00 34.50 31.90 3kcy s PRO 301 CO 0.42 -2.22 1.27 0.95 -0.33 0.00 0.00 177.00 177.08 3kcy s THR 302 N -2.45 2.72 0.00 0.99 -4.23 -1.26 -5.16 115.64 106.26 3kcy s THR 302 Ca 0.69 0.62 0.00 0.00 -1.18 0.00 0.00 61.69 61.81 3kcy s THR 302 Cb -0.24 -3.35 0.00 0.00 1.34 0.00 0.00 72.50 70.25 3kcy s THR 302 CO 0.53 0.06 0.00 -0.81 -0.54 0.00 0.00 174.62 173.87 3kcy n PRO 303 N -0.07 0.00 0.00 3.99 -0.04 -1.26 -5.32 135.00 132.30 3kcy n PRO 303 Ca 0.05 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 3kcy n PRO 303 Cb 0.45 -0.28 0.00 0.00 -0.04 0.00 0.00 33.50 33.63 3kcy n PRO 303 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3kcy n GLU 307 N -1.41 0.00 -4.62 0.54 2.13 -1.26 -5.37 120.64 110.66 3kcy n GLU 307 Ca 0.00 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.48 3kcy n GLU 307 Cb 0.00 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.60 3kcy n GLU 307 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 3kcy s TYR 308 N 0.00 2.94 0.66 4.31 2.02 -1.26 -4.25 117.35 121.77 3kcy s TYR 308 Ca 0.00 -0.00 -0.16 0.00 -0.37 0.00 0.00 57.07 56.54 3kcy s TYR 308 Cb 0.00 -1.72 0.00 0.00 -0.40 0.00 0.00 41.96 39.84 3kcy s TYR 308 CO 0.00 0.31 1.14 -1.25 -1.57 0.00 0.00 175.55 174.18 3kcy s PRO 309 N -0.75 2.70 0.07 -1.71 0.04 -1.26 -5.15 135.00 128.95 3kcy s PRO 309 Ca 0.11 1.53 -0.22 0.00 0.04 0.00 0.00 61.00 62.46 3kcy s PRO 309 Cb -0.11 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 3kcy s PRO 309 CO 0.02 -1.35 0.67 -1.17 0.04 0.00 0.00 177.00 175.20 3kcy s LEU 310 N -4.78 4.50 0.25 -3.56 2.96 -1.26 -5.06 118.68 111.73 3kcy s LEU 310 Ca 0.70 1.37 -0.26 0.00 -0.22 0.00 0.00 54.13 55.72 3kcy s LEU 310 Cb -0.23 -3.07 -0.09 0.00 0.50 0.00 0.00 46.19 43.30 3kcy s LEU 310 CO 0.40 0.16 0.87 -1.59 -1.32 0.00 0.00 176.35 174.88 3kcy s LYS 311 N -0.66 4.61 0.28 1.98 -2.85 -1.26 -4.92 119.74 116.92 3kcy s LYS 311 Ca 0.33 1.27 -0.04 0.00 -1.00 0.00 0.00 55.97 56.53 3kcy s LYS 311 Cb -0.20 -3.06 0.56 0.00 -2.06 0.00 0.00 37.83 33.07 3kcy s LYS 311 CO 0.21 0.43 1.59 0.00 0.10 0.00 0.00 175.35 177.69 3kcy h ALA 312 N 3.75 0.90 0.00 0.59 0.00 -1.97 0.84 119.26 123.38 3kcy h ALA 312 Ca -0.46 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3kcy h ALA 312 Cb 1.20 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 3kcy h ALA 312 CO 0.66 -0.47 -0.04 1.12 0.00 0.00 0.00 179.25 180.52 3kcy h HIS 313 N 0.04 0.00 -0.05 0.00 2.07 -1.93 0.28 115.15 115.57 3kcy h HIS 313 Ca 0.50 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.97 3kcy h HIS 313 Cb 0.92 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.90 3kcy h HIS 313 CO -0.52 0.04 -0.15 1.96 -3.07 0.00 0.00 177.93 176.19 3kcy h GLN 314 N 0.00 0.18 -1.00 5.12 4.20 0.34 -1.04 115.11 122.92 3kcy h GLN 314 Ca -0.00 -0.14 0.22 0.00 0.06 0.00 0.00 58.65 58.80 3kcy h GLN 314 Cb 0.14 0.02 -0.12 0.00 0.30 0.00 0.00 27.48 27.82 3kcy h GLN 314 CO 0.01 0.76 0.60 0.87 -0.67 0.00 0.00 178.83 180.39 3kcy h LYS 315 N -0.35 0.63 -0.72 1.46 1.57 -1.19 0.74 116.57 118.71 3kcy h LYS 315 Ca -0.01 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 3kcy h LYS 315 Cb 0.77 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 3kcy h LYS 315 CO 0.03 0.42 0.17 0.28 -0.57 0.00 0.00 179.45 179.78 3kcy h VAL 316 N 0.65 1.26 -0.72 0.50 2.07 -0.64 -1.73 116.25 117.66 3kcy h VAL 316 Ca 0.62 -0.98 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 3kcy h VAL 316 Cb 1.10 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3kcy h VAL 316 CO -0.44 0.38 0.22 0.00 0.02 0.00 0.00 177.57 177.74 3kcy h ALA 317 N 1.09 1.03 0.27 1.67 0.00 0.27 -2.29 119.26 121.30 3kcy h ALA 317 Ca 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kcy h ALA 317 Cb 0.38 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3kcy h ALA 317 CO 0.00 0.65 -0.28 0.82 0.00 0.00 0.00 179.25 180.44 3kcy h ILE 318 N 1.07 0.41 -0.35 0.00 2.04 -0.62 -2.56 117.51 117.49 3kcy h ILE 318 Ca 0.23 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.15 3kcy h ILE 318 Cb 0.31 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 3kcy h ILE 318 CO -0.01 0.00 0.05 0.24 0.00 0.00 0.00 178.15 178.43 3kcy h MET 319 N -0.58 0.16 -0.66 2.37 2.86 -1.01 -0.65 114.93 117.41 3kcy h MET 319 Ca -0.01 -0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.76 3kcy h MET 319 Cb 0.54 -0.04 -0.10 0.00 0.06 0.00 0.00 31.60 32.07 3kcy h MET 319 CO -0.07 0.10 0.14 0.00 1.06 0.00 0.00 176.91 178.15 3kcy h ARG 320 N 0.16 0.25 0.35 1.72 3.08 -1.38 -0.63 114.38 117.93 3kcy h ARG 320 Ca 0.17 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 3kcy h ARG 320 Cb 0.21 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3kcy h ARG 320 CO -0.24 0.17 -0.17 -0.91 -1.07 0.00 0.00 179.97 177.74 3kcy h ASN 321 N 0.26 -0.40 -0.53 7.04 2.35 -0.79 -0.23 115.58 123.28 3kcy h ASN 321 Ca 0.36 -0.12 0.10 0.00 -0.55 0.00 0.00 56.30 56.09 3kcy h ASN 321 Cb 0.57 0.10 -0.11 0.00 0.05 0.00 0.00 38.32 38.93 3kcy h ASN 321 CO -0.46 -0.10 -0.25 0.40 -1.65 0.00 0.00 177.43 175.37 3kcy h ILE 322 N -0.70 0.28 -0.34 2.81 1.08 -0.85 0.53 117.51 120.32 3kcy h ILE 322 Ca -0.05 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.52 3kcy h ILE 322 Cb 0.49 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 3kcy h ILE 322 CO 0.08 0.00 0.25 -0.33 -0.69 0.00 0.00 178.15 177.45 3kcy h GLU 323 N -0.13 0.00 0.03 2.37 5.08 -0.91 -2.25 114.58 118.77 3kcy h GLU 323 Ca 0.24 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3kcy h GLU 323 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3kcy h GLU 323 CO -0.60 0.00 -0.01 0.87 -1.00 0.00 0.00 179.01 178.26 3kcy h LYS 324 N 0.00 -0.03 0.25 2.33 1.57 0.18 -3.25 116.57 117.62 3kcy h LYS 324 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3kcy h LYS 324 Cb 0.65 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 3kcy h LYS 324 CO -0.00 0.67 -0.52 0.52 -0.57 0.00 0.00 179.45 179.55 3kcy h MET 325 N -0.83 -0.81 0.00 3.15 2.86 -0.74 0.53 114.93 119.10 3kcy h MET 325 Ca -0.00 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3kcy h MET 325 Cb 0.72 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.56 3kcy h MET 325 CO 0.01 -0.54 0.73 -0.07 1.06 0.00 0.00 176.91 178.09 3kcy h LEU 326 N -0.84 0.00 0.17 1.22 4.07 -1.57 0.54 115.31 118.90 3kcy h LEU 326 Ca -0.03 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.60 3kcy h LEU 326 Cb 0.79 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.54 3kcy h LEU 326 CO -0.21 0.00 -1.68 1.23 -1.08 0.00 0.00 178.44 176.70 3kcy h GLY 327 N 0.00 0.42 0.44 0.83 0.00 0.04 -3.08 103.07 101.72 3kcy h GLY 327 Ca 0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 47.33 46.24 3kcy h GLY 327 CO 0.00 0.94 -0.16 0.83 0.00 0.00 0.00 176.54 178.15 3kcy h GLU 328 N 0.02 -0.42 -0.99 4.80 4.39 0.16 -3.03 114.58 119.51 3kcy h GLU 328 Ca -0.34 0.03 0.16 0.00 0.34 0.00 0.00 59.36 59.55 3kcy h GLU 328 Cb 2.03 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 30.68 3kcy h GLU 328 CO 0.15 -0.14 0.62 0.00 -1.16 0.00 0.00 179.01 178.48 3kcy h ALA 329 N -0.74 1.68 0.00 3.43 0.00 -0.88 0.10 119.26 122.85 3kcy h ALA 329 Ca -0.05 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kcy h ALA 329 Cb 0.49 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kcy h ALA 329 CO 0.07 0.02 -0.51 1.28 0.00 0.00 0.00 179.25 180.11 3kcy n LEU 330 N -4.67 0.73 0.00 0.00 4.77 -1.16 -4.93 117.00 111.75 3kcy n LEU 330 Ca 0.21 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 3kcy n LEU 330 Cb 0.49 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3kcy n LEU 330 CO 0.25 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 3kcy n GLY 331 N 1.33 0.66 3.15 -0.72 0.00 0.36 -4.96 105.19 105.01 3kcy n GLY 331 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.10 3kcy n GLY 331 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kcy s ASN 332 N -2.50 -0.97 0.30 1.61 2.47 -1.15 -5.01 114.94 109.69 3kcy s ASN 332 Ca 0.00 0.22 0.06 0.00 0.42 0.00 0.00 52.86 53.56 3kcy s ASN 332 Cb 0.00 1.66 0.35 0.00 -1.45 0.00 0.00 41.25 41.81 3kcy s ASN 332 CO 0.00 -0.18 1.01 -0.81 -3.72 0.00 0.00 177.10 173.40 3kcy n PRO 333 N 5.30 0.05 0.19 0.43 -0.04 -1.26 -0.30 135.00 139.38 3kcy n PRO 333 Ca 0.05 0.49 0.13 0.00 -0.04 0.00 0.00 63.50 64.13 3kcy n PRO 333 Cb 0.55 -2.15 0.31 0.00 -0.04 0.00 0.00 33.50 32.17 3kcy n PRO 333 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3kcy h GLN 334 N 0.00 0.00 0.00 0.54 4.20 -1.95 -3.26 115.11 114.64 3kcy h GLN 334 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kcy h GLN 334 Cb 0.99 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.77 3kcy h GLN 334 CO 0.00 0.00 -0.93 0.39 -0.67 0.00 0.00 178.83 177.62 3kcy n GLU 335 N -2.82 0.16 -0.26 1.46 1.02 0.59 -4.30 120.64 116.50 3kcy n GLU 335 Ca 0.04 -0.01 -0.08 0.00 -0.02 0.00 0.00 57.16 57.09 3kcy n GLU 335 Cb 0.46 -1.55 -0.04 0.00 -0.02 0.00 0.00 31.44 30.29 3kcy n GLU 335 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3kcy h VAL 336 N 0.00 0.05 0.41 2.62 2.07 -1.68 -1.05 116.25 118.67 3kcy h VAL 336 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3kcy h VAL 336 Cb 0.63 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3kcy h VAL 336 CO 0.00 0.00 -0.37 1.23 0.02 0.00 0.00 177.57 178.45 3kcy h GLY 337 N -0.18 -0.89 0.78 2.17 0.00 -1.82 -1.22 103.07 101.92 3kcy h GLY 337 Ca 0.19 0.42 0.13 0.00 0.00 0.00 0.00 47.33 48.07 3kcy h GLY 337 CO -0.76 -0.31 0.49 -2.55 0.00 0.00 0.00 176.54 173.41 3kcy h PRO 338 N -0.79 0.49 -0.27 4.80 0.11 -1.77 -0.94 132.00 133.64 3kcy h PRO 338 Ca -0.03 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.99 3kcy h PRO 338 Cb 0.69 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 3kcy h PRO 338 CO -0.04 0.33 -0.05 1.25 -0.21 0.00 0.00 178.00 179.27 3kcy h LEU 339 N 0.51 0.52 -1.12 2.35 5.85 -0.67 -0.87 115.31 121.87 3kcy h LEU 339 Ca 0.36 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3kcy h LEU 339 Cb 0.68 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3kcy h LEU 339 CO -0.12 0.75 0.14 -0.07 -0.34 0.00 0.00 178.44 178.79 3kcy h LEU 340 N 0.27 0.70 -0.07 2.25 3.38 -0.80 -0.55 115.31 120.49 3kcy h LEU 340 Ca 0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3kcy h LEU 340 Cb 0.51 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3kcy h LEU 340 CO 0.02 0.68 -0.01 0.78 0.09 0.00 0.00 178.44 180.00 3kcy h ASN 341 N 0.73 0.14 -0.89 -0.43 2.35 -1.06 -2.13 115.58 114.29 3kcy h ASN 341 Ca 0.17 -0.36 0.24 0.00 -0.55 0.00 0.00 56.30 55.80 3kcy h ASN 341 Cb 0.25 -0.04 -0.14 0.00 0.05 0.00 0.00 38.32 38.44 3kcy h ASN 341 CO -0.01 0.46 0.29 0.74 -1.65 0.00 0.00 177.43 177.27 3kcy h THR 342 N -0.18 0.33 -0.56 2.81 2.02 -1.00 -0.57 112.91 115.76 3kcy h THR 342 Ca 0.02 -0.08 -0.09 0.00 0.77 0.00 0.00 66.41 67.03 3kcy h THR 342 Cb 0.40 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 3kcy h THR 342 CO 0.01 0.04 0.00 -0.03 0.37 0.00 0.00 175.52 175.92 3kcy h MET 343 N 0.25 0.97 0.00 6.66 -1.53 -0.82 -3.35 114.93 117.11 3kcy h MET 343 Ca 0.57 -0.29 -0.33 0.00 -3.44 0.00 0.00 59.70 56.21 3kcy h MET 343 Cb 1.17 -0.10 -0.06 0.00 -0.55 0.00 0.00 31.60 32.06 3kcy h MET 343 CO -0.63 0.95 -2.19 0.44 0.14 0.00 0.00 176.91 175.62 3kcy n ILE 344 N -4.19 1.39 -1.68 1.77 -5.35 -0.59 -4.51 119.36 106.20 3kcy n ILE 344 Ca 0.03 -0.83 -0.43 0.00 -0.27 0.00 0.00 62.75 61.26 3kcy n ILE 344 Cb 0.33 -0.59 -0.03 0.00 -1.74 0.00 0.00 39.64 37.61 3kcy n ILE 344 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kcy n LYS 345 N -2.81 2.78 -1.01 6.28 5.02 -0.33 0.64 118.16 128.74 3kcy n LYS 345 Ca -0.28 1.01 -0.00 0.00 -2.02 0.00 0.00 58.31 57.02 3kcy n LYS 345 Cb 1.11 -2.92 -0.00 0.00 -0.02 0.00 0.00 35.03 33.20 3kcy n LYS 345 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kcy n GLY 346 N 4.30 0.20 0.66 0.72 0.00 -1.26 -4.71 105.19 105.10 3kcy n GLY 346 Ca 0.19 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 3kcy n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcy n ARG 347 N -0.44 0.09 0.00 1.61 1.74 0.21 -4.89 116.66 114.97 3kcy n ARG 347 Ca -0.00 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3kcy n ARG 347 Cb 0.33 -0.75 0.00 0.00 -1.02 0.00 0.00 32.46 31.02 3kcy n ARG 347 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3kcy n TYR 348 N -3.03 0.00 0.17 -1.55 4.01 0.61 -5.05 117.16 112.32 3kcy n TYR 348 Ca -0.07 -0.08 0.02 0.00 -0.16 0.00 0.00 57.90 57.60 3kcy n TYR 348 Cb 0.56 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.60 3kcy n TYR 348 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67