#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fyu s GLN 2 N 0.00 1.87 0.67 3.17 2.00 -1.26 -4.99 119.66 121.12 3fyu s GLN 2 Ca 0.00 -2.02 -0.17 0.00 -2.00 0.00 0.00 55.36 51.17 3fyu s GLN 2 Cb 0.00 -1.62 -0.06 0.00 0.80 0.00 0.00 33.01 32.13 3fyu s GLN 2 CO 0.00 0.03 0.51 1.28 -0.50 0.00 0.00 175.29 176.61 3fyu n LEU 3 N -0.87 0.73 0.00 3.68 4.32 -1.26 -4.78 117.00 118.82 3fyu n LEU 3 Ca -0.05 0.64 0.00 0.00 -0.02 0.00 0.00 56.01 56.58 3fyu n LEU 3 Cb 0.65 -1.19 0.00 0.00 -1.62 0.00 0.00 43.42 41.26 3fyu n LEU 3 CO 0.46 -3.13 0.00 2.22 -1.22 0.00 0.00 177.39 175.73 3fyu n PHE 4 N -2.11 0.00 -0.26 -1.77 -1.74 -1.26 -5.08 117.46 105.24 3fyu n PHE 4 Ca 0.10 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.99 3fyu n PHE 4 Cb 0.49 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.49 3fyu n PHE 4 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 3fyu n ASP 5 N -0.75 -0.03 -4.70 5.98 -0.08 -1.26 -5.01 116.55 110.70 3fyu n ASP 5 Ca 0.00 -0.26 -0.33 0.00 -1.51 0.00 0.00 54.79 52.69 3fyu n ASP 5 Cb 0.00 0.00 0.13 0.00 2.34 0.00 0.00 41.12 43.59 3fyu n ASP 5 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3fyu s LEU 6 N 0.00 3.15 0.89 -2.67 1.43 -1.26 -4.97 118.68 115.25 3fyu s LEU 6 Ca 0.00 2.38 -0.11 0.00 -1.03 0.00 0.00 54.13 55.38 3fyu s LEU 6 Cb 0.00 -4.59 0.13 0.00 0.03 0.00 0.00 46.19 41.76 3fyu s LEU 6 CO 0.00 -2.67 1.11 -0.94 0.23 0.00 0.00 176.35 174.08 3fyu s SER 7 N -2.12 3.35 0.28 2.29 1.04 -1.26 -4.67 113.70 112.60 3fyu s SER 7 Ca 0.74 1.92 -0.03 0.00 0.48 0.00 0.00 55.95 59.06 3fyu s SER 7 Cb -0.29 -2.48 0.38 0.00 0.10 0.00 0.00 66.02 63.73 3fyu s SER 7 CO 0.50 -2.78 1.94 0.25 0.98 0.00 0.00 173.24 174.13 3fyu h LEU 8 N -1.65 1.03 -0.79 2.42 5.85 -1.99 0.18 115.31 120.37 3fyu h LEU 8 Ca -0.46 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.26 3fyu h LEU 8 Cb 1.26 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 3fyu h LEU 8 CO 0.47 0.73 0.52 -0.08 -0.34 0.00 0.00 178.44 179.74 3fyu h GLU 9 N 1.21 1.03 -0.18 1.25 4.81 -2.01 -2.13 114.58 118.55 3fyu h GLU 9 Ca 0.35 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.37 3fyu h GLU 9 Cb -0.07 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.08 3fyu h GLU 9 CO -0.09 0.68 -0.49 0.93 -0.73 0.00 0.00 179.01 179.31 3fyu h GLU 10 N 1.06 0.65 -0.80 1.92 5.08 -1.67 -3.24 114.58 117.58 3fyu h GLU 10 Ca 0.29 -0.46 0.12 0.00 -1.00 0.00 0.00 59.36 58.31 3fyu h GLU 10 Cb -0.10 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.14 3fyu h GLU 10 CO -0.07 1.08 0.42 -0.07 -1.00 0.00 0.00 179.01 179.36 3fyu h LEU 11 N 0.33 0.54 -2.40 1.33 3.38 -0.35 0.23 115.31 118.38 3fyu h LEU 11 Ca -0.01 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3fyu h LEU 11 Cb 1.10 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3fyu h LEU 11 CO 0.11 0.28 -0.03 0.11 0.09 0.00 0.00 178.44 178.99 3fyu h LYS 12 N 0.66 0.00 -0.01 1.13 1.57 -1.42 -2.06 116.57 116.43 3fyu h LYS 12 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 3fyu h LYS 12 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3fyu h LYS 12 CO -0.31 0.03 -0.37 1.63 -0.57 0.00 0.00 179.45 179.86 3fyu n LYS 13 N -3.62 1.57 -2.14 3.15 5.02 -0.11 -4.93 118.16 117.08 3fyu n LYS 13 Ca -0.03 -0.84 -0.43 0.00 -2.02 0.00 0.00 58.31 54.99 3fyu n LYS 13 Cb 0.13 -1.32 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 3fyu n LYS 13 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3fyu s TYR 14 N -2.04 2.05 -0.40 2.13 5.04 -0.15 -4.90 117.35 119.08 3fyu s TYR 14 Ca 0.14 0.64 0.03 0.00 -2.44 0.00 0.00 57.07 55.44 3fyu s TYR 14 Cb 0.14 -4.21 0.16 0.00 0.35 0.00 0.00 41.96 38.41 3fyu s TYR 14 CO 0.45 -2.56 0.35 0.21 -1.34 0.00 0.00 175.55 172.66 3fyu s LYS 15 N 5.36 0.79 0.55 4.97 2.20 -1.26 -4.10 119.74 128.25 3fyu s LYS 15 Ca 0.72 -1.65 -0.21 0.00 -0.36 0.00 0.00 55.97 54.47 3fyu s LYS 15 Cb -0.19 -1.16 -0.05 0.00 -1.51 0.00 0.00 37.83 34.93 3fyu s LYS 15 CO 0.33 -1.31 1.31 -1.25 -0.36 0.00 0.00 175.35 174.07 3fyu s PRO 16 N 0.58 3.14 0.33 4.03 0.04 -1.26 -4.94 135.00 136.92 3fyu s PRO 16 Ca 0.27 2.11 -0.29 0.00 0.04 0.00 0.00 61.00 63.13 3fyu s PRO 16 Cb -0.06 -2.20 -0.11 0.00 0.04 0.00 0.00 34.50 32.17 3fyu s PRO 16 CO -0.11 -1.15 1.56 0.15 0.04 0.00 0.00 177.00 177.49 3fyu s LYS 17 N -2.97 4.10 0.61 4.56 1.02 -1.26 -4.92 119.74 120.88 3fyu s LYS 17 Ca 0.72 2.60 -0.18 0.00 0.02 0.00 0.00 55.97 59.13 3fyu s LYS 17 Cb -0.37 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 3fyu s LYS 17 CO 0.43 -0.61 1.00 1.63 -0.92 0.00 0.00 175.35 176.89 3fyu n LYS 18 N 1.36 0.92 -0.10 1.68 5.02 -1.26 -4.91 118.16 120.87 3fyu n LYS 18 Ca 0.05 0.36 0.04 0.00 -2.02 0.00 0.00 58.31 56.74 3fyu n LYS 18 Cb 0.38 -2.21 0.10 0.00 -0.02 0.00 0.00 35.03 33.28 3fyu n LYS 18 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3fyu n THR 19 N -1.76 0.74 -1.71 -0.18 -2.24 -1.26 -5.03 114.28 102.84 3fyu n THR 19 Ca 0.14 -0.87 -0.43 0.00 -2.27 0.00 0.00 64.05 60.62 3fyu n THR 19 Cb 0.47 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 3fyu n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fyu n ALA 20 N 0.34 2.28 -1.65 6.98 0.00 -1.26 -4.85 120.51 122.36 3fyu n ALA 20 Ca 0.08 0.40 -0.30 0.00 0.00 0.00 0.00 53.44 53.62 3fyu n ALA 20 Cb 0.34 -2.44 0.08 0.00 0.00 0.00 0.00 19.45 17.43 3fyu n ALA 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3fyu s ARG 21 N 0.39 2.34 0.64 0.00 3.00 -1.26 -4.92 118.95 119.14 3fyu s ARG 21 Ca 0.71 0.60 0.36 0.00 0.00 0.00 0.00 55.73 57.41 3fyu s ARG 21 Cb -0.55 -1.95 2.02 0.00 0.00 0.00 0.00 34.95 34.47 3fyu s ARG 21 CO 0.41 -1.43 2.20 -1.35 0.00 0.00 0.00 175.30 175.12 3fyu h PRO 22 N -0.95 0.00 -0.58 3.54 0.11 -2.04 -1.06 132.00 131.02 3fyu h PRO 22 Ca -0.46 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 3fyu h PRO 22 Cb 1.26 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.29 3fyu h PRO 22 CO 0.60 0.00 0.14 -0.40 -0.21 0.00 0.00 178.00 178.13 3fyu n ASP 23 N -3.27 4.60 0.13 -2.05 5.75 -1.26 -4.72 116.55 115.73 3fyu n ASP 23 Ca -0.02 -3.19 -0.08 0.00 -0.01 0.00 0.00 54.79 51.49 3fyu n ASP 23 Cb 0.20 -0.69 -0.05 0.00 -1.03 0.00 0.00 41.12 39.56 3fyu n ASP 23 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3fyu h PHE 24 N 2.57 -0.65 0.00 2.11 3.57 -1.54 0.47 116.94 123.46 3fyu h PHE 24 Ca 0.16 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 3fyu h PHE 24 Cb 2.04 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 41.03 3fyu h PHE 24 CO 1.07 -0.31 -0.13 0.66 -2.23 0.00 0.00 178.31 177.38 3fyu h SER 25 N -0.45 0.00 -0.20 0.41 4.64 -1.85 -1.92 113.55 114.18 3fyu h SER 25 Ca -0.03 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.18 3fyu h SER 25 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3fyu h SER 25 CO -0.04 0.13 -0.25 -0.78 -0.87 0.00 0.00 176.83 175.02 3fyu h ASP 26 N 0.00 0.68 -0.33 4.97 3.58 -1.80 0.89 116.42 124.41 3fyu h ASP 26 Ca -0.00 -0.25 -0.03 0.00 0.42 0.00 0.00 57.03 57.17 3fyu h ASP 26 Cb 0.26 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 3fyu h ASP 26 CO 0.02 0.91 0.10 0.15 -2.88 0.00 0.00 179.24 177.53 3fyu h PHE 27 N 0.58 0.54 0.00 0.28 3.57 -0.11 -0.99 116.94 120.82 3fyu h PHE 27 Ca 0.08 -0.06 -0.11 0.00 3.53 0.00 0.00 57.97 61.41 3fyu h PHE 27 Cb 0.73 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 3fyu h PHE 27 CO 0.03 0.55 -0.51 -1.49 -2.23 0.00 0.00 178.31 174.66 3fyu h TRP 28 N 0.38 0.00 -0.13 0.41 4.06 -1.32 0.34 115.95 119.69 3fyu h TRP 28 Ca 0.11 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.03 3fyu h TRP 28 Cb 0.27 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.42 3fyu h TRP 28 CO 0.01 0.51 -0.03 -0.22 -3.56 0.00 0.00 178.44 175.15 3fyu h LYS 29 N 0.00 0.25 -0.54 0.49 3.64 -0.55 -0.49 116.57 119.37 3fyu h LYS 29 Ca -0.01 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 3fyu h LYS 29 Cb 0.98 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 3fyu h LYS 29 CO 0.07 0.54 0.16 0.87 -2.27 0.00 0.00 179.45 178.81 3fyu h LYS 30 N -0.06 0.84 -0.49 1.90 1.57 -1.01 -2.05 116.57 117.27 3fyu h LYS 30 Ca 0.03 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3fyu h LYS 30 Cb 0.44 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3fyu h LYS 30 CO 0.01 0.78 0.29 0.77 -0.57 0.00 0.00 179.45 180.73 3fyu h SER 31 N 0.74 0.59 -0.22 0.86 0.02 -0.84 -1.07 113.55 113.64 3fyu h SER 31 Ca 0.17 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 3fyu h SER 31 Cb 0.29 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3fyu h SER 31 CO -0.00 0.49 0.01 -0.07 -1.14 0.00 0.00 176.83 176.11 3fyu h LEU 32 N 0.65 0.47 -0.67 5.07 3.38 -0.96 -1.96 115.31 121.29 3fyu h LEU 32 Ca 0.17 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 3fyu h LEU 32 Cb 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3fyu h LEU 32 CO -0.03 0.54 -0.14 -0.08 0.09 0.00 0.00 178.44 178.81 3fyu h GLU 33 N 0.49 0.88 -0.12 1.13 4.57 -0.61 -0.52 114.58 120.39 3fyu h GLU 33 Ca 0.11 -0.33 -0.10 0.00 -1.18 0.00 0.00 59.36 57.87 3fyu h GLU 33 Cb 0.31 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 3fyu h GLU 33 CO 0.01 0.97 -0.35 0.93 -1.18 0.00 0.00 179.01 179.39 3fyu h GLU 34 N 0.79 0.25 -0.10 1.92 5.08 -0.73 -2.48 114.58 119.32 3fyu h GLU 34 Ca 0.12 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3fyu h GLU 34 Cb 0.67 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 3fyu h GLU 34 CO 0.05 0.58 -0.02 1.25 -1.00 0.00 0.00 179.01 179.87 3fyu h LEU 35 N 0.22 0.19 -1.96 1.33 5.85 -0.91 -2.83 115.31 117.20 3fyu h LEU 35 Ca 0.03 -0.36 0.17 0.00 0.84 0.00 0.00 57.88 58.56 3fyu h LEU 35 Cb 0.73 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 3fyu h LEU 35 CO 0.06 0.50 0.43 -0.09 -0.34 0.00 0.00 178.44 179.00 3fyu h ARG 36 N -0.13 0.04 0.00 1.25 2.43 -0.86 0.18 114.38 117.29 3fyu h ARG 36 Ca 0.03 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3fyu h ARG 36 Cb 0.42 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3fyu h ARG 36 CO 0.01 0.03 0.00 1.04 -1.51 0.00 0.00 179.97 179.54 3fyu n GLN 37 N -4.37 0.23 -3.73 0.20 6.02 -0.95 -4.53 117.38 110.24 3fyu n GLN 37 Ca 0.12 0.12 -0.38 0.00 -0.01 0.00 0.00 57.00 56.84 3fyu n GLN 37 Cb 0.65 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.29 3fyu n GLN 37 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3fyu s VAL 38 N -2.64 4.11 0.19 5.09 1.01 0.63 -5.06 120.40 123.72 3fyu s VAL 38 Ca 0.17 -0.66 -0.32 0.00 0.00 0.00 0.00 61.98 61.17 3fyu s VAL 38 Cb 0.13 -3.13 -0.11 0.00 0.00 0.00 0.00 36.38 33.27 3fyu s VAL 38 CO 0.30 0.06 1.65 -1.61 0.00 0.00 0.00 175.10 175.50 3fyu s GLU 39 N 1.52 4.17 0.17 2.72 0.41 -1.26 -4.85 118.70 121.57 3fyu s GLU 39 Ca 0.03 2.49 -0.14 0.00 -0.41 0.00 0.00 54.97 56.94 3fyu s GLU 39 Cb -0.17 -3.12 0.13 0.00 -1.78 0.00 0.00 34.13 29.19 3fyu s GLU 39 CO 0.03 -0.69 1.74 0.00 -0.49 0.00 0.00 175.26 175.86 3fyu h ALA 40 N 6.81 0.51 -6.85 5.21 0.00 -1.94 -3.39 119.26 119.61 3fyu h ALA 40 Ca -0.43 0.07 -0.57 0.00 0.00 0.00 0.00 54.91 53.98 3fyu h ALA 40 Cb 1.20 0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.88 3fyu h ALA 40 CO 0.94 -0.27 -0.92 0.39 0.00 0.00 0.00 179.25 179.39 3fyu n GLU 41 N -5.04 -2.01 -1.18 0.00 1.02 -1.26 -0.03 120.64 112.12 3fyu n GLU 41 Ca 0.03 0.24 -0.33 0.00 -0.02 0.00 0.00 57.16 57.08 3fyu n GLU 41 Cb 0.18 -4.20 0.12 0.00 -0.02 0.00 0.00 31.44 27.52 3fyu n GLU 41 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3fyu s PRO 42 N -7.03 1.77 0.03 3.49 0.04 -1.26 -4.58 135.00 127.47 3fyu s PRO 42 Ca 0.16 1.69 0.02 0.00 0.04 0.00 0.00 61.00 62.92 3fyu s PRO 42 Cb -0.09 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 3fyu s PRO 42 CO 0.95 -2.10 -0.08 0.95 0.04 0.00 0.00 177.00 176.77 3fyu s THR 43 N -2.21 0.56 -0.11 1.26 -4.23 0.36 -4.97 115.64 106.30 3fyu s THR 43 Ca 0.72 -0.81 -0.00 0.00 -1.18 0.00 0.00 61.69 60.41 3fyu s THR 43 Cb -0.27 -0.57 0.02 0.00 1.34 0.00 0.00 72.50 73.02 3fyu s THR 43 CO 0.50 -0.19 -0.08 -0.22 -0.54 0.00 0.00 174.62 174.09 3fyu s LEU 44 N -1.09 1.19 -0.14 4.79 2.96 -1.26 -2.14 118.68 122.98 3fyu s LEU 44 Ca -0.05 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 3fyu s LEU 44 Cb -0.07 -0.82 0.02 0.00 0.50 0.00 0.00 46.19 45.81 3fyu s LEU 44 CO 0.00 -0.11 -0.15 -0.70 -1.32 0.00 0.00 176.35 174.07 3fyu s GLU 45 N 1.65 2.37 0.56 1.98 2.12 -0.79 -4.96 118.70 121.64 3fyu s GLU 45 Ca 0.04 -0.60 -0.21 0.00 0.36 0.00 0.00 54.97 54.56 3fyu s GLU 45 Cb -0.13 -2.11 -0.04 0.00 0.26 0.00 0.00 34.13 32.11 3fyu s GLU 45 CO -0.07 -0.18 1.36 -1.54 -0.54 0.00 0.00 175.26 174.28 3fyu s SER 46 N 1.32 5.16 -0.06 -1.70 1.04 -1.26 0.20 113.70 118.40 3fyu s SER 46 Ca 0.02 2.76 0.01 0.00 0.48 0.00 0.00 55.95 59.21 3fyu s SER 46 Cb -0.13 -2.63 0.02 0.00 0.10 0.00 0.00 66.02 63.37 3fyu s SER 46 CO -0.08 -1.64 -0.05 -0.47 0.98 0.00 0.00 173.24 171.97 3fyu s TYR 47 N -1.31 0.90 0.20 5.02 5.04 0.63 -4.74 117.35 123.09 3fyu s TYR 47 Ca 0.73 -0.29 -0.30 0.00 -2.44 0.00 0.00 57.07 54.77 3fyu s TYR 47 Cb -0.40 -0.79 -0.08 0.00 0.35 0.00 0.00 41.96 41.04 3fyu s TYR 47 CO 0.47 -0.25 1.20 -0.51 -1.34 0.00 0.00 175.55 175.12 3fyu s ASP 48 N 1.09 7.08 -0.16 4.32 1.01 -1.26 -4.18 116.67 124.57 3fyu s ASP 48 Ca -0.08 2.25 -0.12 0.00 0.71 0.00 0.00 52.55 55.31 3fyu s ASP 48 Cb -0.14 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.23 3fyu s ASP 48 CO -0.01 -0.37 0.41 -0.47 0.21 0.00 0.00 175.17 174.95 3fyu s TYR 49 N -0.15 -0.52 -0.67 4.23 6.14 -1.26 -5.07 117.35 120.05 3fyu s TYR 49 Ca 0.52 1.19 -0.23 0.00 0.64 0.00 0.00 57.07 59.19 3fyu s TYR 49 Cb -0.33 0.21 -0.19 0.00 0.42 0.00 0.00 41.96 42.07 3fyu s TYR 49 CO 0.37 -0.28 1.88 -0.35 0.64 0.00 0.00 175.55 177.81 3fyu n PRO 50 N 3.54 1.28 -3.93 4.97 -0.04 -1.26 -4.82 135.00 134.74 3fyu n PRO 50 Ca -0.18 -1.73 -0.10 0.00 -0.04 0.00 0.00 63.50 61.45 3fyu n PRO 50 Cb 0.56 -2.88 -0.10 0.00 -0.04 0.00 0.00 33.50 31.05 3fyu n PRO 50 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3fyu s VAL 51 N 5.46 0.11 -0.08 0.52 0.11 -1.26 -5.16 120.40 120.11 3fyu s VAL 51 Ca 0.59 -0.94 0.01 0.00 -2.93 0.00 0.00 61.98 58.72 3fyu s VAL 51 Cb 0.14 -0.61 -0.03 0.00 -1.53 0.00 0.00 36.38 34.35 3fyu s VAL 51 CO 0.15 -0.52 -0.10 -0.75 -3.33 0.00 0.00 175.10 170.55 3fyu s LYS 52 N -1.97 2.81 0.00 1.54 2.20 -1.26 -4.57 119.74 118.48 3fyu s LYS 52 Ca -0.10 -0.62 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 3fyu s LYS 52 Cb -0.05 -2.54 0.00 0.00 -1.51 0.00 0.00 37.83 33.73 3fyu s LYS 52 CO -0.02 0.56 0.00 0.41 -0.36 0.00 0.00 175.35 175.94 3fyu n GLY 53 N 2.53 0.73 2.96 5.54 0.00 -1.26 -5.02 105.19 110.67 3fyu n GLY 53 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 3fyu n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fyu s VAL 54 N -2.41 0.01 -0.17 1.61 1.01 -1.26 0.33 120.40 119.51 3fyu s VAL 54 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 3fyu s VAL 54 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 3fyu s VAL 54 CO 0.00 -0.04 -0.07 -0.54 0.00 0.00 0.00 175.10 174.45 3fyu s LYS 55 N -0.08 3.46 -0.00 2.72 1.02 -0.22 -4.84 119.74 121.80 3fyu s LYS 55 Ca -0.01 -0.62 0.01 0.00 0.02 0.00 0.00 55.97 55.37 3fyu s LYS 55 Cb -0.01 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 34.41 3fyu s LYS 55 CO 0.00 0.06 0.02 0.08 -0.92 0.00 0.00 175.35 174.60 3fyu s VAL 56 N 0.79 4.33 0.11 3.17 1.01 -1.26 -0.54 120.40 128.01 3fyu s VAL 56 Ca -0.03 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 3fyu s VAL 56 Cb -0.15 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 3fyu s VAL 56 CO 0.02 0.37 0.06 -0.31 0.00 0.00 0.00 175.10 175.23 3fyu s TYR 57 N -1.12 0.72 -0.27 5.22 1.51 0.12 -0.27 117.35 123.27 3fyu s TYR 57 Ca 0.21 -1.14 -0.09 0.00 -1.01 0.00 0.00 57.07 55.04 3fyu s TYR 57 Cb -0.12 -0.41 -0.03 0.00 -0.11 0.00 0.00 41.96 41.29 3fyu s TYR 57 CO 0.11 -0.51 0.12 1.03 -1.11 0.00 0.00 175.55 175.20 3fyu s ARG 58 N -4.01 3.71 -0.11 -0.62 0.52 0.13 -0.09 118.95 118.48 3fyu s ARG 58 Ca 0.19 -0.46 -0.02 0.00 -0.52 0.00 0.00 55.73 54.93 3fyu s ARG 58 Cb 0.07 -3.47 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 3fyu s ARG 58 CO -0.01 -0.22 -0.05 -1.17 0.02 0.00 0.00 175.30 173.87 3fyu s LEU 59 N 1.66 3.24 0.05 2.53 2.96 -0.07 -1.88 118.68 127.18 3fyu s LEU 59 Ca 0.06 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 3fyu s LEU 59 Cb -0.16 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 3fyu s LEU 59 CO 0.06 0.27 -0.08 0.42 -1.32 0.00 0.00 176.35 175.71 3fyu s THR 60 N -0.26 0.59 0.14 3.68 -4.23 -0.91 -1.95 115.64 112.70 3fyu s THR 60 Ca 0.04 -1.20 -0.18 0.00 -1.18 0.00 0.00 61.69 59.17 3fyu s THR 60 Cb -0.13 -0.76 0.05 0.00 1.34 0.00 0.00 72.50 73.00 3fyu s THR 60 CO 0.02 -0.43 0.47 -0.72 -0.54 0.00 0.00 174.62 173.42 3fyu s TYR 61 N -1.65 -0.31 -0.01 3.99 1.13 -0.32 -0.49 117.35 119.70 3fyu s TYR 61 Ca -0.07 0.02 -0.16 0.00 -1.41 0.00 0.00 57.07 55.45 3fyu s TYR 61 Cb -0.08 0.37 -0.06 0.00 -1.10 0.00 0.00 41.96 41.09 3fyu s TYR 61 CO -0.00 -0.76 0.45 -0.65 -2.51 0.00 0.00 175.55 172.07 3fyu s GLN 62 N -3.79 4.05 0.00 -3.49 -1.52 0.95 -0.47 119.66 115.39 3fyu s GLN 62 Ca 0.03 0.48 0.00 0.00 -1.95 0.00 0.00 55.36 53.92 3fyu s GLN 62 Cb 0.01 -3.26 0.00 0.00 -0.22 0.00 0.00 33.01 29.54 3fyu s GLN 62 CO -0.12 0.59 0.00 0.45 -0.25 0.00 0.00 175.29 175.96 3fyu n SER 63 N 2.11 0.22 -3.88 5.90 2.88 -0.00 -4.31 113.62 116.55 3fyu n SER 63 Ca -0.12 -0.73 -0.49 0.00 -1.33 0.00 0.00 58.87 56.20 3fyu n SER 63 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 3fyu n SER 63 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3fyu n PHE 64 N 0.00 0.30 -1.27 0.66 7.35 -1.26 0.28 117.46 123.52 3fyu n PHE 64 Ca 0.00 0.90 -0.09 0.00 -0.76 0.00 0.00 57.45 57.50 3fyu n PHE 64 Cb 0.00 -1.78 -0.04 0.00 0.35 0.00 0.00 39.48 38.01 3fyu n PHE 64 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3fyu n GLY 65 N 1.41 1.06 2.89 7.13 0.00 -1.26 -2.85 105.19 113.57 3fyu n GLY 65 Ca 0.17 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 3fyu n GLY 65 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fyu n HIS 66 N -2.63 -1.72 -3.07 1.61 8.25 0.14 -4.73 115.22 113.08 3fyu n HIS 66 Ca -0.09 0.38 -0.38 0.00 -0.26 0.00 0.00 57.72 57.37 3fyu n HIS 66 Cb 0.36 -4.20 -0.06 0.00 1.12 0.00 0.00 29.99 27.21 3fyu n HIS 66 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3fyu s SER 67 N -2.53 7.23 -0.43 0.41 0.01 -1.02 -4.78 113.70 112.60 3fyu s SER 67 Ca 0.23 1.51 -0.21 0.00 1.31 0.00 0.00 55.95 58.80 3fyu s SER 67 Cb -0.11 -2.45 0.02 0.00 0.21 0.00 0.00 66.02 63.69 3fyu s SER 67 CO 0.29 0.17 0.65 -0.75 0.41 0.00 0.00 173.24 174.01 3fyu s LYS 68 N -1.39 3.34 -0.01 12.44 2.20 -1.26 -0.82 119.74 134.24 3fyu s LYS 68 Ca 0.37 -0.29 -0.13 0.00 -0.36 0.00 0.00 55.97 55.56 3fyu s LYS 68 Cb -0.21 -3.93 -0.05 0.00 -1.51 0.00 0.00 37.83 32.13 3fyu s LYS 68 CO 0.23 -0.99 0.36 0.42 -0.36 0.00 0.00 175.35 175.02 3fyu s ILE 69 N 2.85 5.12 0.41 5.43 -1.09 0.38 -0.91 121.20 133.39 3fyu s ILE 69 Ca 0.23 0.66 0.04 0.00 -2.23 0.00 0.00 60.65 59.36 3fyu s ILE 69 Cb -0.14 -3.65 -0.02 0.00 -1.58 0.00 0.00 42.46 37.07 3fyu s ILE 69 CO 0.19 0.54 0.13 -1.61 -1.23 0.00 0.00 174.94 172.95 3fyu s GLU 70 N -1.21 1.94 0.00 2.79 2.02 -1.26 -1.18 118.70 121.81 3fyu s GLU 70 Ca 0.24 -2.19 0.00 0.00 0.02 0.00 0.00 54.97 53.04 3fyu s GLU 70 Cb -0.15 -0.64 0.00 0.00 0.10 0.00 0.00 34.13 33.44 3fyu s GLU 70 CO 0.13 -0.48 0.00 0.41 0.02 0.00 0.00 175.26 175.34 3fyu n GLY 71 N -0.92 3.33 3.80 -1.39 0.00 -0.82 -1.11 105.19 108.08 3fyu n GLY 71 Ca -0.06 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 3fyu n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fyu s PHE 72 N -2.00 3.24 -0.17 1.61 0.40 -1.25 -0.89 117.98 118.92 3fyu s PHE 72 Ca 0.00 1.62 -0.01 0.00 -0.60 0.00 0.00 56.93 57.94 3fyu s PHE 72 Cb 0.00 -2.98 0.05 0.00 0.51 0.00 0.00 43.02 40.60 3fyu s PHE 72 CO 0.00 -0.40 -0.01 -0.47 0.70 0.00 0.00 175.22 175.04 3fyu s TYR 73 N -1.96 1.33 -0.11 0.36 5.04 0.87 -1.47 117.35 121.40 3fyu s TYR 73 Ca 0.62 -0.90 -0.02 0.00 -2.44 0.00 0.00 57.07 54.32 3fyu s TYR 73 Cb -0.15 -1.14 -0.03 0.00 0.35 0.00 0.00 41.96 40.99 3fyu s TYR 73 CO 0.19 -0.58 -0.02 0.00 -1.34 0.00 0.00 175.55 173.80 3fyu s ALA 74 N 1.76 3.17 -0.02 3.97 0.00 0.44 0.12 121.76 131.19 3fyu s ALA 74 Ca 0.00 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.18 3fyu s ALA 74 Cb -0.16 -1.50 -0.01 0.00 0.00 0.00 0.00 23.12 21.46 3fyu s ALA 74 CO -0.07 0.45 -0.14 0.08 0.00 0.00 0.00 175.76 176.08 3fyu s VAL 75 N -0.44 1.15 0.30 0.00 1.01 0.30 -0.10 120.40 122.62 3fyu s VAL 75 Ca 0.08 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 3fyu s VAL 75 Cb -0.12 -0.98 -0.12 0.00 0.00 0.00 0.00 36.38 35.16 3fyu s VAL 75 CO 0.02 0.33 1.52 -2.65 0.00 0.00 0.00 175.10 174.32 3fyu n PRO 76 N 2.98 2.52 -2.07 2.72 -0.02 -1.26 -1.06 135.00 138.81 3fyu n PRO 76 Ca -0.16 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 3fyu n PRO 76 Cb 0.54 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3fyu n PRO 76 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3fyu n ASP 77 N 1.79 4.50 -3.67 2.55 2.03 0.15 -4.77 116.55 119.14 3fyu n ASP 77 Ca 0.08 -2.97 -0.09 0.00 0.52 0.00 0.00 54.79 52.32 3fyu n ASP 77 Cb 0.36 -1.58 -0.02 0.00 -0.72 0.00 0.00 41.12 39.16 3fyu n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fyu s GLN 78 N 1.89 1.53 0.29 -0.67 -2.07 -1.26 -4.86 119.66 114.50 3fyu s GLN 78 Ca 0.44 -0.77 -0.30 0.00 -1.82 0.00 0.00 55.36 52.91 3fyu s GLN 78 Cb 0.11 0.59 -0.11 0.00 -1.09 0.00 0.00 33.01 32.51 3fyu s GLN 78 CO -0.04 -0.68 1.53 0.95 -1.32 0.00 0.00 175.29 175.73 3fyu s THR 79 N -3.85 2.26 0.00 3.63 -4.23 -1.26 -5.02 115.64 107.17 3fyu s THR 79 Ca 0.07 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.80 3fyu s THR 79 Cb -0.03 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.67 3fyu s THR 79 CO -0.02 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 3fyu n GLY 80 N 2.02 0.82 3.77 3.99 0.00 -1.26 -4.85 105.19 109.68 3fyu n GLY 80 Ca 0.07 -1.83 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 3fyu n GLY 80 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fyu s PRO 81 N 1.73 3.08 0.12 1.61 0.02 -1.26 -5.10 135.00 135.18 3fyu s PRO 81 Ca 0.00 1.53 0.06 0.00 0.02 0.00 0.00 61.00 62.61 3fyu s PRO 81 Cb 0.00 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 3fyu s PRO 81 CO 0.00 -1.06 -0.04 -1.01 -0.33 0.00 0.00 177.00 174.57 3fyu s HIS 82 N -2.01 2.86 0.51 6.54 3.76 0.80 -4.73 115.29 123.01 3fyu s HIS 82 Ca 0.70 -0.10 -0.20 0.00 -0.15 0.00 0.00 55.06 55.32 3fyu s HIS 82 Cb -0.23 -1.46 -0.08 0.00 1.11 0.00 0.00 32.58 31.93 3fyu s HIS 82 CO 0.34 0.47 1.06 -1.25 -0.85 0.00 0.00 174.74 174.50 3fyu s PRO 83 N -2.43 3.68 0.26 8.40 0.04 -1.26 -1.04 135.00 142.65 3fyu s PRO 83 Ca 0.25 1.39 0.08 0.00 0.04 0.00 0.00 61.00 62.75 3fyu s PRO 83 Cb -0.11 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 3fyu s PRO 83 CO 0.17 -0.54 -0.10 0.00 0.04 0.00 0.00 177.00 176.57 3fyu s ALA 84 N -1.99 2.31 -0.01 8.56 0.00 0.14 -1.18 121.76 129.58 3fyu s ALA 84 Ca 0.68 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 50.81 3fyu s ALA 84 Cb -0.18 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.01 3fyu s ALA 84 CO 0.23 0.01 -0.01 -0.51 0.00 0.00 0.00 175.76 175.47 3fyu s LEU 85 N -3.42 1.70 -0.32 0.00 1.43 -0.02 -0.58 118.68 117.47 3fyu s LEU 85 Ca 0.28 -0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.30 3fyu s LEU 85 Cb 0.02 -0.15 0.04 0.00 0.03 0.00 0.00 46.19 46.13 3fyu s LEU 85 CO 0.11 -0.02 0.06 -0.69 0.23 0.00 0.00 176.35 176.04 3fyu s VAL 86 N 0.33 3.47 -0.14 -1.59 1.01 -0.56 -1.20 120.40 121.71 3fyu s VAL 86 Ca -0.03 -1.22 -0.12 0.00 0.00 0.00 0.00 61.98 60.62 3fyu s VAL 86 Cb -0.05 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 3fyu s VAL 86 CO -0.01 -0.14 0.25 -0.60 0.00 0.00 0.00 175.10 174.60 3fyu s ARG 87 N 1.35 4.06 -0.09 2.72 3.52 0.04 -1.69 118.95 128.85 3fyu s ARG 87 Ca -0.03 0.03 0.01 0.00 -0.13 0.00 0.00 55.73 55.60 3fyu s ARG 87 Cb -0.19 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 29.81 3fyu s ARG 87 CO 0.01 0.40 -0.10 -0.06 -0.81 0.00 0.00 175.30 174.75 3fyu s PHE 88 N -0.00 2.86 0.53 5.12 0.40 0.01 -2.27 117.98 124.63 3fyu s PHE 88 Ca 0.15 -0.21 -0.03 0.00 -0.60 0.00 0.00 56.93 56.25 3fyu s PHE 88 Cb -0.13 -1.75 0.01 0.00 0.51 0.00 0.00 43.02 41.65 3fyu s PHE 88 CO 0.04 0.13 0.79 -3.38 0.70 0.00 0.00 175.22 173.50 3fyu s HIS 89 N -0.37 3.20 0.87 0.36 -3.43 -1.26 -3.67 115.29 110.98 3fyu s HIS 89 Ca 0.05 0.40 -0.12 0.00 -0.80 0.00 0.00 55.06 54.59 3fyu s HIS 89 Cb -0.12 -2.56 0.11 0.00 -1.43 0.00 0.00 32.58 28.57 3fyu s HIS 89 CO 0.02 -0.64 1.12 0.20 -2.00 0.00 0.00 174.74 173.44 3fyu s GLY 90 N -4.28 1.60 -0.03 -1.38 0.00 -1.25 -2.60 107.32 99.38 3fyu s GLY 90 Ca 0.52 -0.38 -0.31 0.00 0.00 0.00 0.00 44.72 44.56 3fyu s GLY 90 CO 0.41 0.13 2.00 2.98 0.00 0.00 0.00 173.10 178.62 3fyu n TYR 91 N -3.64 2.39 -1.64 1.90 9.36 -1.26 -1.79 117.16 122.48 3fyu n TYR 91 Ca 0.07 -0.28 -0.15 0.00 3.32 0.00 0.00 57.90 60.86 3fyu n TYR 91 Cb 0.58 -2.77 -0.05 0.00 -0.63 0.00 0.00 39.34 36.47 3fyu n TYR 91 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3fyu n ASN 92 N 8.05 -3.98 -1.10 2.98 5.15 -1.26 -4.82 115.26 120.28 3fyu n ASN 92 Ca 0.22 0.31 -0.00 0.00 -0.60 0.00 0.00 54.58 54.52 3fyu n ASN 92 Cb 0.39 -3.59 0.22 0.00 -0.53 0.00 0.00 39.78 36.27 3fyu n ASN 92 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fyu n ALA 93 N 0.07 3.83 -2.79 5.20 0.00 -0.74 -4.97 120.51 121.10 3fyu n ALA 93 Ca -0.15 -2.78 -0.36 0.00 0.00 0.00 0.00 53.44 50.14 3fyu n ALA 93 Cb 0.51 -0.77 -0.11 0.00 0.00 0.00 0.00 19.45 19.09 3fyu n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3fyu s SER 94 N -2.22 5.70 -0.20 0.00 0.15 -1.26 -4.63 113.70 111.23 3fyu s SER 94 Ca 0.44 -0.02 -0.01 0.00 0.70 0.00 0.00 55.95 57.06 3fyu s SER 94 Cb 0.38 -2.02 0.01 0.00 -1.71 0.00 0.00 66.02 62.68 3fyu s SER 94 CO 0.04 0.03 -0.12 -0.31 1.20 0.00 0.00 173.24 174.08 3fyu s TYR 95 N 1.22 2.87 -1.57 3.44 1.51 -1.26 -4.66 117.35 118.90 3fyu s TYR 95 Ca 0.06 -1.31 -0.15 0.00 -1.01 0.00 0.00 57.07 54.66 3fyu s TYR 95 Cb -0.14 -2.01 0.10 0.00 -0.11 0.00 0.00 41.96 39.80 3fyu s TYR 95 CO 0.05 -0.68 0.91 -0.25 -1.11 0.00 0.00 175.55 174.47 3fyu n ASP 96 N 4.71 -4.45 -0.80 2.29 10.43 -1.26 -1.03 116.55 126.44 3fyu n ASP 96 Ca -0.20 -0.81 -0.10 0.00 2.57 0.00 0.00 54.79 56.25 3fyu n ASP 96 Cb 0.50 -3.57 -0.04 0.00 1.84 0.00 0.00 41.12 39.85 3fyu n ASP 96 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fyu n GLY 97 N -1.59 1.07 2.39 0.44 0.00 -1.26 -2.78 105.19 103.45 3fyu n GLY 97 Ca 0.05 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 3fyu n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fyu n GLY 98 N -0.39 -0.26 0.36 -0.02 0.00 -0.19 -4.69 105.19 100.00 3fyu n GLY 98 Ca -0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.01 3fyu n GLY 98 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3fyu h ILE 99 N 0.00 0.86 -0.50 -0.61 2.10 -1.73 -2.00 117.51 115.63 3fyu h ILE 99 Ca -0.34 -0.31 -0.05 0.00 1.08 0.00 0.00 64.86 65.25 3fyu h ILE 99 Cb 1.21 -0.11 -0.02 0.00 -1.09 0.00 0.00 36.82 36.81 3fyu h ILE 99 CO 0.41 0.16 0.12 0.45 -1.08 0.00 0.00 178.15 178.21 3fyu h HIS 100 N 0.89 0.77 -0.02 2.19 3.86 -1.88 -0.87 115.15 120.09 3fyu h HIS 100 Ca 0.51 -0.06 -0.23 0.00 -1.16 0.00 0.00 60.37 59.43 3fyu h HIS 100 Cb 0.62 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.86 3fyu h HIS 100 CO -0.00 0.65 -0.92 -0.44 0.86 0.00 0.00 177.93 178.08 3fyu h ASP 101 N 0.73 0.60 -0.16 2.45 3.32 -1.77 -2.40 116.42 119.19 3fyu h ASP 101 Ca 0.16 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3fyu h ASP 101 Cb 0.27 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3fyu h ASP 101 CO -0.00 1.25 0.09 0.40 -1.72 0.00 0.00 179.24 179.27 3fyu h ILE 102 N 0.28 1.02 -0.64 0.35 1.08 -1.10 -0.41 117.51 118.09 3fyu h ILE 102 Ca -0.08 -0.07 0.02 0.00 -0.39 0.00 0.00 64.86 64.35 3fyu h ILE 102 Cb 1.55 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 36.07 3fyu h ILE 102 CO 0.16 0.04 0.40 0.58 -0.69 0.00 0.00 178.15 178.64 3fyu h VAL 103 N 0.20 1.10 -0.56 1.67 2.07 -1.16 -1.45 116.25 118.11 3fyu h VAL 103 Ca 0.06 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3fyu h VAL 103 Cb -0.01 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 3fyu h VAL 103 CO -0.03 0.14 0.22 0.78 0.02 0.00 0.00 177.57 178.71 3fyu h ASN 104 N 0.79 0.74 -0.64 0.57 2.35 -0.98 -0.04 115.58 118.36 3fyu h ASN 104 Ca 0.25 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 3fyu h ASN 104 Cb -0.00 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 3fyu h ASN 104 CO -0.09 0.66 0.23 -0.50 -1.65 0.00 0.00 177.43 176.08 3fyu h TRP 105 N 0.80 1.02 -0.22 1.19 -0.00 -0.25 -1.00 115.95 117.49 3fyu h TRP 105 Ca 0.19 -0.08 -0.09 0.00 -0.00 0.00 0.00 58.89 58.91 3fyu h TRP 105 Cb 0.16 -0.30 -0.01 0.00 -0.00 0.00 0.00 29.16 29.00 3fyu h TRP 105 CO 0.01 0.80 -0.26 0.00 -0.00 0.00 0.00 178.44 178.99 3fyu h ALA 106 N 1.27 1.14 0.00 1.49 0.00 -0.27 -1.75 119.26 121.14 3fyu h ALA 106 Ca 0.22 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3fyu h ALA 106 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3fyu h ALA 106 CO -0.01 0.54 -0.21 -0.07 0.00 0.00 0.00 179.25 179.50 3fyu h LEU 107 N 0.38 0.00 0.00 0.00 3.38 -0.03 -0.18 115.31 118.86 3fyu h LEU 107 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3fyu h LEU 107 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3fyu h LEU 107 CO 0.05 0.21 0.00 1.41 0.09 0.00 0.00 178.44 180.20 3fyu n HIS 108 N -3.57 0.00 0.00 1.13 8.25 -0.48 -4.87 115.22 115.68 3fyu n HIS 108 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3fyu n HIS 108 Cb 0.36 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.32 3fyu n HIS 108 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fyu n GLY 109 N 1.13 1.11 3.45 -1.41 0.00 -0.08 -5.09 105.19 104.29 3fyu n GLY 109 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3fyu n GLY 109 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fyu s TYR 110 N -2.00 2.97 -0.36 1.61 2.02 -0.77 -4.32 117.35 116.49 3fyu s TYR 110 Ca 0.00 -0.43 -0.29 0.00 -0.37 0.00 0.00 57.07 55.98 3fyu s TYR 110 Cb 0.00 -1.94 -0.01 0.00 -0.40 0.00 0.00 41.96 39.61 3fyu s TYR 110 CO 0.00 -0.12 1.64 0.00 -1.57 0.00 0.00 175.55 175.50 3fyu s ALA 111 N 0.46 2.94 -0.06 3.71 0.00 -0.33 -3.11 121.76 125.38 3fyu s ALA 111 Ca -0.05 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.05 3fyu s ALA 111 Cb -0.15 -3.99 -0.02 0.00 0.00 0.00 0.00 23.12 18.97 3fyu s ALA 111 CO 0.03 -2.54 -0.20 0.99 0.00 0.00 0.00 175.76 174.05 3fyu s THR 112 N 6.30 2.56 -0.16 0.00 2.01 0.86 -0.84 115.64 126.37 3fyu s THR 112 Ca 0.72 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.83 3fyu s THR 112 Cb -0.19 -1.97 0.02 0.00 0.01 0.00 0.00 72.50 70.37 3fyu s THR 112 CO 0.33 0.57 -0.15 0.12 -0.69 0.00 0.00 174.62 174.81 3fyu s PHE 113 N -0.42 2.28 -0.85 4.92 5.36 -0.34 -0.42 117.98 128.50 3fyu s PHE 113 Ca 0.04 -1.31 -0.16 0.00 -0.96 0.00 0.00 56.93 54.55 3fyu s PHE 113 Cb -0.12 -1.65 0.19 0.00 -0.34 0.00 0.00 43.02 41.10 3fyu s PHE 113 CO 0.02 -0.70 0.88 0.20 -1.46 0.00 0.00 175.22 174.16 3fyu s GLY 114 N 1.45 2.43 0.06 13.12 0.00 -0.55 -0.78 107.32 123.04 3fyu s GLY 114 Ca 0.05 -3.14 -0.31 0.00 0.00 0.00 0.00 44.72 41.33 3fyu s GLY 114 CO -0.11 1.49 1.70 -0.29 0.00 0.00 0.00 173.10 175.89 3fyu s MET 115 N 0.97 4.18 -0.09 2.90 1.75 -0.96 -3.85 119.30 124.21 3fyu s MET 115 Ca 0.22 2.36 -0.26 0.00 -1.25 0.00 0.00 55.69 56.77 3fyu s MET 115 Cb -0.09 -3.70 -0.03 0.00 2.84 0.00 0.00 34.83 33.86 3fyu s MET 115 CO -0.09 -0.78 0.82 -0.51 -0.65 0.00 0.00 175.02 173.81 3fyu s LEU 116 N 2.98 4.27 0.03 4.11 1.43 -0.27 -4.38 118.68 126.86 3fyu s LEU 116 Ca 0.76 1.29 -0.30 0.00 -1.03 0.00 0.00 54.13 54.85 3fyu s LEU 116 Cb -0.40 -3.26 -0.05 0.00 0.03 0.00 0.00 46.19 42.51 3fyu s LEU 116 CO 0.33 -0.26 1.26 -0.69 0.23 0.00 0.00 176.35 177.22 3fyu s VAL 117 N 1.38 3.94 -0.11 -1.59 1.01 -1.26 -4.46 120.40 119.31 3fyu s VAL 117 Ca 0.41 1.36 -0.17 0.00 0.00 0.00 0.00 61.98 63.58 3fyu s VAL 117 Cb -0.18 -3.87 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 3fyu s VAL 117 CO 0.18 0.06 0.53 0.54 0.00 0.00 0.00 175.10 176.42 3fyu n ARG 118 N 4.48 0.00 -0.31 2.72 1.74 -1.24 -0.44 116.66 123.61 3fyu n ARG 118 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 3fyu n ARG 118 Cb 0.45 -0.59 0.00 0.00 -1.02 0.00 0.00 32.46 31.31 3fyu n ARG 118 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fyu n GLY 119 N 1.13 0.29 0.00 -0.13 0.00 -1.00 -4.81 105.19 100.67 3fyu n GLY 119 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3fyu n GLY 119 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fyu n GLN 120 N -2.00 0.00 0.00 1.61 6.02 0.42 -4.75 117.38 118.68 3fyu n GLN 120 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.14 3fyu n GLN 120 Cb 0.00 0.00 0.78 0.00 1.02 0.00 0.00 30.24 32.04 3fyu n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fyu n GLY 121 N 3.39 -1.25 0.00 1.08 0.00 -1.21 -4.95 105.19 102.25 3fyu n GLY 121 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3fyu n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fyu n GLY 122 N 1.24 -0.91 0.79 -0.02 0.00 -1.25 -4.53 105.19 100.51 3fyu n GLY 122 Ca 0.15 -1.24 0.03 0.00 0.00 0.00 0.00 46.02 44.97 3fyu n GLY 122 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3fyu n SER 123 N 1.87 -4.28 -4.86 1.61 7.64 -1.26 -2.38 113.62 111.95 3fyu n SER 123 Ca 0.00 0.90 -0.36 0.00 1.01 0.00 0.00 58.87 60.42 3fyu n SER 123 Cb 0.00 -2.33 -0.06 0.00 -1.01 0.00 0.00 64.21 60.82 3fyu n SER 123 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3fyu s GLU 124 N -4.35 3.79 -0.30 1.43 2.12 -0.09 -2.46 118.70 118.84 3fyu s GLU 124 Ca 0.00 0.22 0.03 0.00 0.36 0.00 0.00 54.97 55.58 3fyu s GLU 124 Cb 0.00 -3.06 0.09 0.00 0.26 0.00 0.00 34.13 31.42 3fyu s GLU 124 CO 0.00 0.60 0.01 0.34 -0.54 0.00 0.00 175.26 175.67 3fyu s ASP 125 N -1.57 4.45 0.03 -1.70 -1.08 -1.26 -4.31 116.67 111.24 3fyu s ASP 125 Ca 0.30 -1.77 0.27 0.00 -0.52 0.00 0.00 52.55 50.83 3fyu s ASP 125 Cb -0.15 -1.44 0.92 0.00 -1.46 0.00 0.00 42.92 40.80 3fyu s ASP 125 CO 0.16 -0.32 1.72 0.35 0.52 0.00 0.00 175.17 177.61 3fyu n THR 126 N 4.44 0.09 -1.93 1.71 -2.24 -1.26 -4.85 114.28 110.23 3fyu n THR 126 Ca -0.03 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 3fyu n THR 126 Cb 0.42 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 3fyu n THR 126 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3fyu s SER 127 N -3.26 6.58 0.69 3.42 1.04 -1.26 -4.97 113.70 115.95 3fyu s SER 127 Ca 0.12 2.63 -0.13 0.00 0.48 0.00 0.00 55.95 59.05 3fyu s SER 127 Cb 0.17 -2.60 0.01 0.00 0.10 0.00 0.00 66.02 63.71 3fyu s SER 127 CO 0.60 -0.82 1.10 -0.69 0.98 0.00 0.00 173.24 174.41 3fyu s VAL 128 N 1.00 3.38 -0.50 5.02 1.01 -1.26 -5.01 120.40 124.05 3fyu s VAL 128 Ca 0.69 0.57 -0.17 0.00 0.00 0.00 0.00 61.98 63.06 3fyu s VAL 128 Cb -0.44 -3.09 0.07 0.00 0.00 0.00 0.00 36.38 32.92 3fyu s VAL 128 CO 0.33 -0.47 0.52 -0.89 0.00 0.00 0.00 175.10 174.59 3fyu s THR 129 N -2.57 5.06 0.21 3.92 2.01 -1.26 -4.85 115.64 118.16 3fyu s THR 129 Ca 0.64 -0.83 -0.09 0.00 0.31 0.00 0.00 61.69 61.73 3fyu s THR 129 Cb -0.19 -4.23 0.15 0.00 0.01 0.00 0.00 72.50 68.25 3fyu s THR 129 CO 0.46 -0.72 1.75 -0.65 -0.69 0.00 0.00 174.62 174.78 3fyu h PRO 130 N 8.89 0.45 0.00 4.92 0.11 -1.94 -3.47 132.00 140.94 3fyu h PRO 130 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3fyu h PRO 130 Cb 1.10 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3fyu h PRO 130 CO 0.93 0.30 0.00 0.41 -0.21 0.00 0.00 178.00 179.43 3fyu n GLY 131 N -1.29 2.43 3.74 -0.55 0.00 -1.26 -5.11 105.19 103.15 3fyu n GLY 131 Ca 0.09 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 3fyu n GLY 131 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fyu s GLY 132 N -0.33 2.85 0.20 -0.02 0.00 -1.26 -4.81 107.32 103.95 3fyu s GLY 132 Ca 0.00 1.21 -0.22 0.00 0.00 0.00 0.00 44.72 45.71 3fyu s GLY 132 CO 0.00 1.67 0.64 -2.38 0.00 0.00 0.00 173.10 173.03 3fyu s HIS 133 N -1.40 -0.41 0.75 1.90 -0.00 -1.26 -4.91 115.29 109.96 3fyu s HIS 133 Ca 0.77 0.11 -0.12 0.00 -0.00 0.00 0.00 55.06 55.82 3fyu s HIS 133 Cb -0.37 0.60 0.05 0.00 -0.00 0.00 0.00 32.58 32.86 3fyu s HIS 133 CO 0.41 -0.98 1.12 0.00 -0.00 0.00 0.00 174.74 175.28 3fyu s ALA 134 N -3.81 2.22 -0.14 -1.38 0.00 -1.26 -4.89 121.76 112.49 3fyu s ALA 134 Ca 0.05 0.46 -0.35 0.00 0.00 0.00 0.00 51.96 52.11 3fyu s ALA 134 Cb -0.03 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.64 3fyu s ALA 134 CO -0.06 -1.74 1.87 -0.11 0.00 0.00 0.00 175.76 175.72 3fyu n LEU 135 N -3.17 3.20 0.00 0.00 0.00 -1.26 -4.68 117.00 111.09 3fyu n LEU 135 Ca 0.10 0.97 0.00 0.00 0.00 0.00 0.00 56.01 57.08 3fyu n LEU 135 Cb 0.52 -1.32 0.00 0.00 0.00 0.00 0.00 43.42 42.62 3fyu n LEU 135 CO 0.50 -0.15 0.00 0.61 0.00 0.00 0.00 177.39 178.35 3fyu n GLY 136 N 4.46 0.60 0.03 -3.96 0.00 -1.26 -4.87 105.19 100.19 3fyu n GLY 136 Ca 0.24 -2.21 0.07 0.00 0.00 0.00 0.00 46.02 44.12 3fyu n GLY 136 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3fyu n TRP 137 N 1.04 0.06 -0.29 1.61 8.01 -1.26 -4.53 117.44 122.09 3fyu n TRP 137 Ca 0.00 0.02 0.26 0.00 -1.31 0.00 0.00 57.50 56.47 3fyu n TRP 137 Cb 0.00 -0.62 0.61 0.00 -2.01 0.00 0.00 31.31 29.29 3fyu n TRP 137 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.69 177.20 3fyu h MET 138 N 0.00 0.22 -0.20 -0.99 2.86 -1.89 -2.21 114.93 112.71 3fyu h MET 138 Ca -0.10 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3fyu h MET 138 Cb 1.23 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.84 3fyu h MET 138 CO 0.01 0.15 0.00 0.25 1.06 0.00 0.00 176.91 178.37 3fyu n THR 139 N -4.44 1.02 -1.97 2.22 -2.24 -1.26 -4.89 114.28 102.72 3fyu n THR 139 Ca 0.23 -1.01 -0.42 0.00 -2.27 0.00 0.00 64.05 60.58 3fyu n THR 139 Cb 0.96 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 3fyu n THR 139 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3fyu s LYS 140 N -1.03 4.18 -1.45 -0.78 2.20 -0.83 -2.06 119.74 119.97 3fyu s LYS 140 Ca 0.14 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 57.99 3fyu s LYS 140 Cb 0.07 -4.01 0.00 0.00 -1.51 0.00 0.00 37.83 32.39 3fyu s LYS 140 CO 0.09 -0.86 0.00 0.41 -0.36 0.00 0.00 175.35 174.63 3fyu n GLY 141 N 4.18 0.18 0.13 5.54 0.00 -1.26 -1.32 105.19 112.63 3fyu n GLY 141 Ca 0.18 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.08 3fyu n GLY 141 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3fyu n ILE 142 N -3.65 0.90 1.99 -0.61 3.06 -0.87 -1.87 119.36 118.31 3fyu n ILE 142 Ca -0.18 0.33 0.05 0.00 -2.50 0.00 0.00 62.75 60.45 3fyu n ILE 142 Cb 0.61 -1.27 0.30 0.00 0.54 0.00 0.00 39.64 39.82 3fyu n ILE 142 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3fyu n LEU 143 N -2.19 0.02 -3.64 9.51 4.77 -1.26 -4.34 117.00 119.87 3fyu n LEU 143 Ca 0.01 -0.01 -0.07 0.00 -0.03 0.00 0.00 56.01 55.92 3fyu n LEU 143 Cb 0.18 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.20 3fyu n LEU 143 CO 0.17 0.00 0.51 -0.55 -1.33 0.00 0.00 177.39 176.20 3fyu s SER 144 N -1.31 -0.71 0.54 -1.43 0.15 -1.17 -4.92 113.70 104.84 3fyu s SER 144 Ca 0.15 1.21 0.20 0.00 0.70 0.00 0.00 55.95 58.20 3fyu s SER 144 Cb 0.07 1.27 1.39 0.00 -1.71 0.00 0.00 66.02 67.04 3fyu s SER 144 CO 0.12 -0.20 2.15 0.07 1.20 0.00 0.00 173.24 176.59 3fyu h LYS 145 N 5.97 0.00 -0.03 5.44 2.10 -1.86 -0.36 116.57 127.84 3fyu h LYS 145 Ca -0.29 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.22 3fyu h LYS 145 Cb 1.20 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.51 3fyu h LYS 145 CO 0.14 0.00 -0.64 -0.44 -2.00 0.00 0.00 179.45 176.51 3fyu h ASP 146 N 0.00 0.14 0.03 7.07 3.32 -1.95 -3.28 116.42 121.75 3fyu h ASP 146 Ca 0.02 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3fyu h ASP 146 Cb 0.10 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3fyu h ASP 146 CO -0.00 0.74 -0.99 0.35 -1.72 0.00 0.00 179.24 177.61 3fyu n THR 147 N -3.81 0.00 -1.71 0.35 -2.24 -0.69 -4.96 114.28 101.21 3fyu n THR 147 Ca -0.02 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.32 3fyu n THR 147 Cb 0.64 0.92 -0.02 0.00 -2.10 0.00 0.00 70.33 69.76 3fyu n THR 147 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fyu n TYR 148 N -1.52 2.60 -0.34 4.78 9.36 -0.23 -4.36 117.16 127.45 3fyu n TYR 148 Ca 0.04 0.26 0.04 0.00 3.32 0.00 0.00 57.90 61.56 3fyu n TYR 148 Cb 0.34 -2.57 0.11 0.00 -0.63 0.00 0.00 39.34 36.59 3fyu n TYR 148 CO 0.00 0.00 0.00 -0.92 0.22 0.00 0.00 176.86 176.16 3fyu h TYR 149 N 5.12 -0.60 0.00 2.98 3.20 -1.45 -0.54 116.97 125.68 3fyu h TYR 149 Ca -0.46 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.50 3fyu h TYR 149 Cb 1.24 0.41 0.00 0.00 1.54 0.00 0.00 36.73 39.92 3fyu h TYR 149 CO 0.59 -0.40 0.00 0.66 -1.64 0.00 0.00 178.16 177.37 3fyu n TYR 150 N -5.57 0.00 0.21 -3.82 4.01 -1.26 -3.07 117.16 107.65 3fyu n TYR 150 Ca 0.14 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.73 3fyu n TYR 150 Cb 0.46 -0.41 -0.08 0.00 -0.31 0.00 0.00 39.34 39.00 3fyu n TYR 150 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3fyu h ARG 151 N 0.00 -0.49 -0.51 -0.72 2.43 -1.40 0.59 114.38 114.28 3fyu h ARG 151 Ca 0.00 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3fyu h ARG 151 Cb 0.23 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 3fyu h ARG 151 CO 0.00 -0.22 0.31 0.78 -1.51 0.00 0.00 179.97 179.33 3fyu h GLY 152 N -0.69 0.72 0.72 2.80 0.00 -1.68 -2.28 103.07 102.66 3fyu h GLY 152 Ca -0.05 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.06 3fyu h GLY 152 CO 0.08 0.21 -0.15 -2.08 0.00 0.00 0.00 176.54 174.60 3fyu h VAL 153 N 0.62 0.66 -0.76 4.60 2.07 -1.52 0.24 116.25 122.16 3fyu h VAL 153 Ca 0.20 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.79 3fyu h VAL 153 Cb 0.00 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.37 3fyu h VAL 153 CO -0.08 0.00 0.44 1.88 0.02 0.00 0.00 177.57 179.83 3fyu h TYR 154 N -0.28 0.81 -0.29 1.57 -1.99 -0.75 -0.18 116.97 115.87 3fyu h TYR 154 Ca 0.03 0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.70 3fyu h TYR 154 Cb 0.31 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 3fyu h TYR 154 CO -0.17 0.38 -0.19 -0.07 -0.00 0.00 0.00 178.16 178.11 3fyu h LEU 155 N 0.79 0.52 -0.89 3.88 3.38 -0.91 -1.49 115.31 120.59 3fyu h LEU 155 Ca 0.34 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 3fyu h LEU 155 Cb 0.22 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3fyu h LEU 155 CO -0.20 0.72 0.24 0.44 0.09 0.00 0.00 178.44 179.74 3fyu h ASP 156 N 0.47 0.98 -0.49 -0.43 3.32 0.87 0.10 116.42 121.24 3fyu h ASP 156 Ca 0.08 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3fyu h ASP 156 Cb 0.60 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 3fyu h ASP 156 CO 0.04 0.90 0.22 0.00 -1.72 0.00 0.00 179.24 178.68 3fyu h ALA 157 N 1.24 0.63 -0.07 3.45 0.00 -0.37 0.12 119.26 124.26 3fyu h ALA 157 Ca 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3fyu h ALA 157 Cb 0.25 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3fyu h ALA 157 CO -0.01 0.21 0.02 0.28 0.00 0.00 0.00 179.25 179.74 3fyu h VAL 158 N 0.64 1.20 -0.57 0.00 2.07 -0.94 -2.76 116.25 115.89 3fyu h VAL 158 Ca 0.16 -0.60 0.08 0.00 0.82 0.00 0.00 66.70 67.16 3fyu h VAL 158 Cb 0.15 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3fyu h VAL 158 CO -0.02 0.17 0.38 -0.09 0.02 0.00 0.00 177.57 178.03 3fyu h ARG 159 N -0.10 0.44 -0.88 1.57 9.65 -0.74 -0.82 114.38 123.51 3fyu h ARG 159 Ca 0.02 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 3fyu h ARG 159 Cb 0.25 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.69 3fyu h ARG 159 CO 0.00 0.29 0.45 0.00 2.80 0.00 0.00 179.97 183.51 3fyu h ALA 160 N 1.70 1.14 -0.45 2.80 0.00 -0.48 -0.03 119.26 123.94 3fyu h ALA 160 Ca 0.25 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3fyu h ALA 160 Cb 0.41 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3fyu h ALA 160 CO -0.07 0.67 -0.23 -0.07 0.00 0.00 0.00 179.25 179.55 3fyu h LEU 161 N 1.24 0.94 -0.56 0.00 3.38 -0.94 -1.46 115.31 117.92 3fyu h LEU 161 Ca 0.30 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3fyu h LEU 161 Cb 0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3fyu h LEU 161 CO -0.04 1.13 0.10 -0.33 0.09 0.00 0.00 178.44 179.39 3fyu h GLU 162 N 0.79 0.91 0.01 1.13 5.08 -0.79 -1.18 114.58 120.54 3fyu h GLU 162 Ca 0.10 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3fyu h GLU 162 Cb 0.79 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3fyu h GLU 162 CO 0.07 0.87 -0.00 0.28 -1.00 0.00 0.00 179.01 179.23 3fyu h VAL 163 N 0.81 1.23 -0.18 3.13 2.07 -0.92 -2.79 116.25 119.60 3fyu h VAL 163 Ca 0.17 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 67.00 3fyu h VAL 163 Cb 0.39 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 3fyu h VAL 163 CO 0.01 0.18 0.08 0.40 0.02 0.00 0.00 177.57 178.26 3fyu h ILE 164 N -0.32 0.99 0.00 4.57 1.08 -1.22 -2.21 117.51 120.40 3fyu h ILE 164 Ca -0.00 -0.06 -0.01 0.00 -0.39 0.00 0.00 64.86 64.40 3fyu h ILE 164 Cb 0.31 0.79 -0.00 0.00 -3.07 0.00 0.00 36.82 34.85 3fyu h ILE 164 CO 0.00 0.03 -0.03 0.06 -0.69 0.00 0.00 178.15 177.53 3fyu h GLN 165 N 0.18 0.00 0.00 2.37 3.07 -1.25 -0.91 115.11 118.57 3fyu h GLN 165 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.79 3fyu h GLN 165 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.58 3fyu h GLN 165 CO -0.06 0.03 -0.13 0.66 0.09 0.00 0.00 178.83 179.42 3fyu h SER 166 N 0.00 0.00 -2.96 0.06 4.64 -1.11 -3.42 113.55 110.76 3fyu h SER 166 Ca -0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 3fyu h SER 166 Cb 0.13 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.28 3fyu h SER 166 CO 0.00 0.13 0.88 -0.36 -0.87 0.00 0.00 176.83 176.62 3fyu s PHE 167 N -3.41 2.98 0.42 4.77 0.08 -0.35 -4.90 117.98 117.57 3fyu s PHE 167 Ca 0.03 0.67 0.14 0.00 0.12 0.00 0.00 56.93 57.89 3fyu s PHE 167 Cb 0.08 -3.97 0.91 0.00 -0.57 0.00 0.00 43.02 39.47 3fyu s PHE 167 CO 0.64 -3.47 1.94 -1.00 -0.10 0.00 0.00 175.22 173.22 3fyu h PRO 168 N 6.21 0.00 -0.00 0.24 0.13 -1.87 -2.18 132.00 134.53 3fyu h PRO 168 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3fyu h PRO 168 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3fyu h PRO 168 CO 0.88 0.25 -0.00 -0.85 -0.23 0.00 0.00 178.00 178.05 3fyu n GLU 169 N -4.23 1.02 -4.07 0.86 0.00 -1.26 -4.73 120.64 108.24 3fyu n GLU 169 Ca -0.02 -0.10 -0.35 0.00 0.00 0.00 0.00 57.16 56.69 3fyu n GLU 169 Cb 0.30 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.14 3fyu n GLU 169 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3fyu s VAL 170 N -2.05 4.48 -0.74 3.84 1.01 -0.82 -0.14 120.40 125.98 3fyu s VAL 170 Ca 0.45 -0.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.03 3fyu s VAL 170 Cb 0.22 -3.02 0.04 0.00 0.00 0.00 0.00 36.38 33.62 3fyu s VAL 170 CO 0.38 0.45 1.24 -0.62 0.00 0.00 0.00 175.10 176.54 3fyu s ASP 171 N 0.57 6.17 0.63 3.32 -1.08 -0.21 -4.79 116.67 121.29 3fyu s ASP 171 Ca 0.02 -0.56 0.28 0.00 -0.52 0.00 0.00 52.55 51.77 3fyu s ASP 171 Cb -0.13 -2.54 1.48 0.00 -1.46 0.00 0.00 42.92 40.27 3fyu s ASP 171 CO 0.02 -1.77 1.86 1.05 0.52 0.00 0.00 175.17 176.85 3fyu h GLU 172 N 9.95 0.00 -0.05 4.34 9.09 -1.88 0.19 114.58 136.22 3fyu h GLU 172 Ca -0.27 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.14 3fyu h GLU 172 Cb 1.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.15 3fyu h GLU 172 CO 1.27 0.00 0.00 0.72 0.05 0.00 0.00 179.01 181.05 3fyu n HIS 173 N -3.24 0.05 -2.95 2.06 8.25 -1.26 -4.22 115.22 113.91 3fyu n HIS 173 Ca 0.03 -0.02 -0.19 0.00 -0.26 0.00 0.00 57.72 57.28 3fyu n HIS 173 Cb 0.54 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.64 3fyu n HIS 173 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3fyu n ARG 174 N 0.11 1.74 -4.63 -0.41 1.74 0.05 -4.84 116.66 110.42 3fyu n ARG 174 Ca 0.19 -3.78 -0.33 0.00 -0.77 0.00 0.00 57.85 53.15 3fyu n ARG 174 Cb 0.33 -1.77 -0.13 0.00 -1.02 0.00 0.00 32.46 29.86 3fyu n ARG 174 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3fyu s ILE 175 N -3.33 3.40 0.17 0.55 1.01 -1.26 -0.69 121.20 121.06 3fyu s ILE 175 Ca 0.40 -0.54 0.11 0.00 0.00 0.00 0.00 60.65 60.62 3fyu s ILE 175 Cb 0.36 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3fyu s ILE 175 CO -0.08 0.51 -0.24 -0.83 0.00 0.00 0.00 174.94 174.31 3fyu s GLY 176 N 0.31 1.63 -0.12 6.18 0.00 0.25 0.69 107.32 116.26 3fyu s GLY 176 Ca -0.08 -1.57 0.01 0.00 0.00 0.00 0.00 44.72 43.09 3fyu s GLY 176 CO 0.04 -1.59 -0.17 -1.34 0.00 0.00 0.00 173.10 170.05 3fyu s VAL 177 N -1.55 2.73 0.14 1.40 -7.23 -0.89 -1.50 120.40 113.50 3fyu s VAL 177 Ca 0.18 -0.78 0.02 0.00 -1.81 0.00 0.00 61.98 59.58 3fyu s VAL 177 Cb -0.08 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 3fyu s VAL 177 CO 0.08 0.54 -0.02 0.27 -0.31 0.00 0.00 175.10 175.66 3fyu s ILE 178 N 0.30 0.65 0.00 -0.62 -4.36 -0.68 -1.31 121.20 115.18 3fyu s ILE 178 Ca -0.12 -1.96 0.00 0.00 -0.26 0.00 0.00 60.65 58.30 3fyu s ILE 178 Cb -0.16 -1.96 0.00 0.00 1.25 0.00 0.00 42.46 41.59 3fyu s ILE 178 CO 0.06 -0.61 0.00 0.61 0.24 0.00 0.00 174.94 175.24 3fyu n GLY 179 N -0.16 1.79 0.54 6.27 0.00 -1.02 -0.81 105.19 111.80 3fyu n GLY 179 Ca -0.08 -0.83 0.06 0.00 0.00 0.00 0.00 46.02 45.17 3fyu n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fyu n GLY 180 N -0.53 4.82 0.00 -0.02 0.00 -1.24 -1.18 105.19 107.04 3fyu n GLY 180 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3fyu n GLY 180 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3fyu n GLN 182 N -1.14 0.00 -0.11 1.61 7.27 -1.26 -3.14 117.38 120.61 3fyu n GLN 182 Ca 0.21 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.23 3fyu n GLN 182 Cb 0.76 0.00 0.15 0.00 2.41 0.00 0.00 30.24 33.57 3fyu n GLN 182 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 3fyu h GLY 183 N 0.00 0.86 1.65 1.69 0.00 -1.68 -0.49 103.07 105.10 3fyu h GLY 183 Ca 0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 47.33 46.63 3fyu h GLY 183 CO 0.00 0.54 -0.41 -1.33 0.00 0.00 0.00 176.54 175.34 3fyu h GLY 184 N 0.97 0.42 0.90 4.60 0.00 -1.45 -1.06 103.07 107.46 3fyu h GLY 184 Ca 0.14 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 3fyu h GLY 184 CO 0.02 0.37 -0.01 0.00 0.00 0.00 0.00 176.54 176.93 3fyu h ALA 185 N 1.24 0.44 -0.52 3.60 0.00 -1.67 -1.54 119.26 120.81 3fyu h ALA 185 Ca 0.03 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 3fyu h ALA 185 Cb 0.86 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3fyu h ALA 185 CO 0.07 0.21 0.03 -0.07 0.00 0.00 0.00 179.25 179.49 3fyu h LEU 186 N 0.38 0.83 0.21 0.00 3.38 -0.94 0.62 115.31 119.79 3fyu h LEU 186 Ca 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3fyu h LEU 186 Cb 0.46 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3fyu h LEU 186 CO 0.02 0.87 -0.13 0.00 0.09 0.00 0.00 178.44 179.29 3fyu h ALA 187 N 1.22 -0.31 -0.68 1.53 0.00 -0.97 0.21 119.26 120.26 3fyu h ALA 187 Ca 0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3fyu h ALA 187 Cb 0.44 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3fyu h ALA 187 CO 0.02 -0.68 0.32 0.82 0.00 0.00 0.00 179.25 179.73 3fyu h ILE 188 N -0.33 1.23 -0.48 0.00 2.04 -1.09 -1.67 117.51 117.22 3fyu h ILE 188 Ca -0.02 -0.65 -0.08 0.00 1.00 0.00 0.00 64.86 65.11 3fyu h ILE 188 Cb 0.28 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3fyu h ILE 188 CO 0.02 0.27 -0.02 0.00 0.00 0.00 0.00 178.15 178.41 3fyu h ALA 189 N 1.15 1.06 -0.50 1.87 0.00 -0.62 -1.84 119.26 120.39 3fyu h ALA 189 Ca 0.23 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3fyu h ALA 189 Cb 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3fyu h ALA 189 CO -0.03 0.58 -0.00 0.00 0.00 0.00 0.00 179.25 179.80 3fyu h ALA 190 N 1.23 0.67 0.00 0.00 0.00 -0.25 -1.72 119.26 119.19 3fyu h ALA 190 Ca 0.14 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3fyu h ALA 190 Cb 0.49 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3fyu h ALA 190 CO 0.02 0.49 -0.27 0.00 0.00 0.00 0.00 179.25 179.49 3fyu h ALA 191 N 0.93 1.35 0.02 0.00 0.00 -1.03 0.71 119.26 121.24 3fyu h ALA 191 Ca 0.14 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 3fyu h ALA 191 Cb 0.52 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3fyu h ALA 191 CO 0.03 0.34 -1.00 0.00 0.00 0.00 0.00 179.25 178.62 3fyu h ALA 192 N 1.73 0.38 0.00 0.00 0.00 -0.99 -3.33 119.26 117.04 3fyu h ALA 192 Ca -0.00 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.05 3fyu h ALA 192 Cb 0.55 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3fyu h ALA 192 CO 0.04 1.12 -1.30 1.28 0.00 0.00 0.00 179.25 180.39 3fyu n LEU 193 N -3.46 0.51 -3.98 0.00 4.77 -0.68 -4.76 117.00 109.41 3fyu n LEU 193 Ca -0.02 -0.02 -0.16 0.00 -0.03 0.00 0.00 56.01 55.78 3fyu n LEU 193 Cb 0.91 -0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 41.81 3fyu n LEU 193 CO 0.48 0.02 -0.41 -0.55 -1.33 0.00 0.00 177.39 175.61 3fyu s SER 194 N -4.18 0.71 0.00 -1.43 0.15 0.22 -5.02 113.70 104.15 3fyu s SER 194 Ca 0.00 -0.18 0.21 0.00 0.70 0.00 0.00 55.95 56.68 3fyu s SER 194 Cb 0.14 -0.06 0.56 0.00 -1.71 0.00 0.00 66.02 64.96 3fyu s SER 194 CO 0.84 0.02 1.48 -0.90 1.20 0.00 0.00 173.24 175.88 3fyu n ASP 195 N 2.67 3.49 -0.07 5.45 3.85 -1.26 -4.34 116.55 126.34 3fyu n ASP 195 Ca -0.15 -1.99 -0.10 0.00 -0.71 0.00 0.00 54.79 51.84 3fyu n ASP 195 Cb 0.57 -0.39 -0.04 0.00 -1.35 0.00 0.00 41.12 39.92 3fyu n ASP 195 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 3fyu h ILE 196 N 3.99 1.16 -3.66 2.12 2.04 -1.92 -3.43 117.51 117.81 3fyu h ILE 196 Ca 0.00 -0.50 -0.53 0.00 1.00 0.00 0.00 64.86 64.83 3fyu h ILE 196 Cb 0.90 1.07 0.09 0.00 -0.74 0.00 0.00 36.82 38.14 3fyu h ILE 196 CO 0.00 0.16 0.80 -2.84 0.00 0.00 0.00 178.15 176.27 3fyu s PRO 197 N -5.57 4.16 -0.15 2.37 0.02 -1.26 -4.67 135.00 129.90 3fyu s PRO 197 Ca -0.14 2.50 -0.13 0.00 0.02 0.00 0.00 61.00 63.26 3fyu s PRO 197 Cb 0.08 -3.02 -0.24 0.00 0.02 0.00 0.00 34.50 31.35 3fyu s PRO 197 CO 0.71 -0.51 0.32 -0.22 -0.33 0.00 0.00 177.00 176.97 3fyu h LYS 198 N 3.92 0.17 -4.97 5.54 3.64 -0.02 -3.46 116.57 121.39 3fyu h LYS 198 Ca -0.49 -0.29 -0.33 0.00 -1.27 0.00 0.00 60.65 58.27 3fyu h LYS 198 Cb 1.23 0.11 -0.14 0.00 -0.41 0.00 0.00 32.23 33.01 3fyu h LYS 198 CO 0.71 1.14 -0.67 0.14 -2.27 0.00 0.00 179.45 178.50 3fyu s VAL 199 N -2.49 0.92 -0.03 2.00 -7.23 -1.23 -3.71 120.40 108.63 3fyu s VAL 199 Ca -0.25 -2.02 0.02 0.00 -1.81 0.00 0.00 61.98 57.92 3fyu s VAL 199 Cb 0.06 -2.15 0.01 0.00 0.56 0.00 0.00 36.38 34.86 3fyu s VAL 199 CO 0.71 -0.47 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.27 3fyu s VAL 200 N -3.49 0.61 -0.12 1.32 1.01 0.11 -2.09 120.40 117.75 3fyu s VAL 200 Ca 0.24 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.00 3fyu s VAL 200 Cb 0.05 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.87 3fyu s VAL 200 CO 0.05 0.22 -0.12 -0.69 0.00 0.00 0.00 175.10 174.56 3fyu s VAL 201 N 0.50 1.37 -0.09 2.92 1.01 -0.43 -0.38 120.40 125.31 3fyu s VAL 201 Ca -0.07 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 3fyu s VAL 201 Cb -0.11 -1.30 0.02 0.00 0.00 0.00 0.00 36.38 34.99 3fyu s VAL 201 CO 0.00 0.42 -0.05 0.00 0.00 0.00 0.00 175.10 175.47 3fyu s ALA 202 N 1.40 1.04 -0.24 5.51 0.00 0.06 -2.43 121.76 127.11 3fyu s ALA 202 Ca 0.01 -0.34 -0.18 0.00 0.00 0.00 0.00 51.96 51.45 3fyu s ALA 202 Cb -0.13 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 3fyu s ALA 202 CO -0.07 -0.32 0.52 -0.51 0.00 0.00 0.00 175.76 175.37 3fyu s ASP 203 N 1.58 6.48 -0.33 0.00 1.11 -0.32 -2.31 116.67 122.87 3fyu s ASP 203 Ca 0.01 0.58 -0.03 0.00 0.18 0.00 0.00 52.55 53.29 3fyu s ASP 203 Cb -0.13 -2.29 0.00 0.00 1.07 0.00 0.00 42.92 41.58 3fyu s ASP 203 CO -0.05 -0.25 0.22 0.00 1.18 0.00 0.00 175.17 176.27 3fyu n TYR 204 N 5.30 -0.68 -1.63 4.23 0.18 0.90 -4.50 117.16 120.97 3fyu n TYR 204 Ca -0.04 0.24 -0.45 0.00 1.88 0.00 0.00 57.90 59.52 3fyu n TYR 204 Cb 0.50 -0.99 -0.02 0.00 -0.38 0.00 0.00 39.34 38.44 3fyu n TYR 204 CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43 3fyu n PRO 205 N -1.54 1.62 -1.08 -3.48 -0.04 -1.26 -4.75 135.00 124.47 3fyu n PRO 205 Ca -0.10 0.57 -0.06 0.00 -0.04 0.00 0.00 63.50 63.88 3fyu n PRO 205 Cb 0.24 -2.09 0.03 0.00 -0.04 0.00 0.00 33.50 31.64 3fyu n PRO 205 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 3fyu n TYR 206 N 1.10 -3.28 -3.94 0.54 9.36 -1.26 -4.63 117.16 115.06 3fyu n TYR 206 Ca 0.11 -0.42 -0.26 0.00 3.32 0.00 0.00 57.90 60.65 3fyu n TYR 206 Cb 0.30 -0.17 -0.01 0.00 -0.63 0.00 0.00 39.34 38.83 3fyu n TYR 206 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3fyu n LEU 207 N 0.00 -2.35 -3.85 2.98 4.77 -1.26 -4.56 117.00 112.73 3fyu n LEU 207 Ca 0.04 -0.96 -0.20 0.00 -0.03 0.00 0.00 56.01 54.85 3fyu n LEU 207 Cb 0.14 -2.31 -0.17 0.00 -2.33 0.00 0.00 43.42 38.76 3fyu n LEU 207 CO 0.10 0.42 -0.40 -0.55 -1.33 0.00 0.00 177.39 175.62 3fyu s SER 208 N -4.19 1.08 -1.17 -1.43 0.15 -1.26 -1.34 113.70 105.53 3fyu s SER 208 Ca 0.12 -0.11 -0.06 0.00 0.70 0.00 0.00 55.95 56.60 3fyu s SER 208 Cb -0.06 -0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 63.79 3fyu s SER 208 CO 0.88 -0.10 0.84 -3.20 1.20 0.00 0.00 173.24 172.86 3fyu n ASN 209 N 4.36 -3.89 -0.24 5.45 5.15 -1.26 -4.63 115.26 120.18 3fyu n ASN 209 Ca -0.20 -0.79 0.05 0.00 -0.60 0.00 0.00 54.58 53.03 3fyu n ASN 209 Cb 0.51 -4.46 0.16 0.00 -0.53 0.00 0.00 39.78 35.46 3fyu n ASN 209 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 3fyu h PHE 210 N -1.63 0.11 -0.13 1.20 0.04 -1.95 0.59 116.94 115.17 3fyu h PHE 210 Ca -0.62 0.05 0.04 0.00 2.80 0.00 0.00 57.97 60.24 3fyu h PHE 210 Cb 1.34 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.55 3fyu h PHE 210 CO 0.38 -0.16 0.10 0.93 -0.60 0.00 0.00 178.31 178.96 3fyu h GLU 211 N 0.18 0.00 0.11 1.51 5.08 -1.97 -1.89 114.58 117.60 3fyu h GLU 211 Ca 0.40 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.40 3fyu h GLU 211 Cb 0.70 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3fyu h GLU 211 CO -0.57 0.00 -1.99 -2.13 -1.00 0.00 0.00 179.01 173.32 3fyu n ARG 212 N -4.37 0.75 -0.23 2.33 0.63 -0.43 -4.29 116.66 111.05 3fyu n ARG 212 Ca 0.00 0.27 0.03 0.00 -0.92 0.00 0.00 57.85 57.24 3fyu n ARG 212 Cb 0.22 -1.70 0.14 0.00 0.45 0.00 0.00 32.46 31.57 3fyu n ARG 212 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fyu h ALA 213 N 0.04 0.77 0.00 5.13 0.00 -0.36 0.21 119.26 125.04 3fyu h ALA 213 Ca -0.43 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3fyu h ALA 213 Cb 2.00 0.30 0.00 0.00 0.00 0.00 0.00 17.79 20.09 3fyu h ALA 213 CO 0.07 -0.38 0.00 1.33 0.00 0.00 0.00 179.25 180.27 3fyu n VAL 214 N -5.24 1.27 0.47 0.00 0.24 -0.76 -0.64 118.33 113.66 3fyu n VAL 214 Ca 0.12 0.39 0.07 0.00 -2.04 0.00 0.00 64.34 62.88 3fyu n VAL 214 Cb 0.41 -1.29 -0.09 0.00 -1.47 0.00 0.00 33.84 31.40 3fyu n VAL 214 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3fyu n ASP 215 N -1.76 0.96 -0.04 -1.34 8.00 0.65 -4.69 116.55 118.32 3fyu n ASP 215 Ca 0.01 -0.58 -0.05 0.00 0.71 0.00 0.00 54.79 54.88 3fyu n ASP 215 Cb 0.11 1.22 -0.04 0.00 -0.02 0.00 0.00 41.12 42.39 3fyu n ASP 215 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3fyu n VAL 216 N -1.56 0.47 -1.66 2.53 0.31 -0.66 -5.03 118.33 112.72 3fyu n VAL 216 Ca 0.01 -0.21 -0.40 0.00 -0.01 0.00 0.00 64.34 63.73 3fyu n VAL 216 Cb 0.28 -0.81 0.03 0.00 -0.91 0.00 0.00 33.84 32.43 3fyu n VAL 216 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fyu n ALA 217 N -2.58 0.77 0.02 3.52 0.00 0.18 -4.92 120.51 117.50 3fyu n ALA 217 Ca -0.13 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3fyu n ALA 217 Cb 0.67 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.94 3fyu n ALA 217 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3fyu n LEU 218 N -0.13 1.03 -4.22 0.00 4.77 -0.95 -4.97 117.00 112.52 3fyu n LEU 218 Ca 0.10 -0.99 -0.14 0.00 -0.03 0.00 0.00 56.01 54.94 3fyu n LEU 218 Cb 0.42 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.42 3fyu n LEU 218 CO 0.55 0.25 -0.17 -1.61 -1.33 0.00 0.00 177.39 175.08 3fyu s GLU 219 N -0.07 1.42 0.93 3.23 0.41 -1.19 -5.03 118.70 118.41 3fyu s GLU 219 Ca 0.01 -1.75 -0.12 0.00 -0.41 0.00 0.00 54.97 52.70 3fyu s GLU 219 Cb 0.00 0.30 0.15 0.00 -1.78 0.00 0.00 34.13 32.81 3fyu s GLU 219 CO 0.01 -0.50 1.09 -0.65 -0.49 0.00 0.00 175.26 174.72 3fyu s GLN 220 N -3.88 0.94 0.00 1.61 -1.52 -1.26 -4.10 119.66 111.45 3fyu s GLN 220 Ca 0.39 0.81 0.24 0.00 -1.95 0.00 0.00 55.36 54.84 3fyu s GLN 220 Cb 0.05 -1.77 0.22 0.00 -0.22 0.00 0.00 33.01 31.29 3fyu s GLN 220 CO 0.17 -2.46 1.28 -0.35 -0.25 0.00 0.00 175.29 173.68 3fyu n PRO 221 N -4.03 2.35 -0.33 2.91 -0.05 -1.26 -4.72 135.00 129.86 3fyu n PRO 221 Ca 0.07 -1.96 0.02 0.00 -0.05 0.00 0.00 63.50 61.58 3fyu n PRO 221 Cb 0.55 -1.47 0.19 0.00 -0.05 0.00 0.00 33.50 32.73 3fyu n PRO 221 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 175.50 177.33 3fyu h TYR 222 N 4.68 1.14 0.00 0.54 0.05 -1.85 -1.38 116.97 120.14 3fyu h TYR 222 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3fyu h TYR 222 Cb 1.00 -0.38 0.00 0.00 1.01 0.00 0.00 36.73 38.36 3fyu h TYR 222 CO 0.02 0.63 0.00 1.28 -1.05 0.00 0.00 178.16 179.04 3fyu n LEU 223 N -4.46 0.00 -0.02 3.88 4.77 -1.26 -1.35 117.00 118.56 3fyu n LEU 223 Ca 0.14 0.49 0.03 0.00 -0.03 0.00 0.00 56.01 56.64 3fyu n LEU 223 Cb 0.14 -0.49 0.40 0.00 -2.33 0.00 0.00 43.42 41.15 3fyu n LEU 223 CO 0.34 -0.42 1.15 -0.33 -1.33 0.00 0.00 177.39 176.80 3fyu h GLU 224 N 0.00 0.57 -0.29 3.23 5.08 -1.61 0.10 114.58 121.66 3fyu h GLU 224 Ca 0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3fyu h GLU 224 Cb 0.07 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3fyu h GLU 224 CO 0.00 0.39 0.11 0.82 -1.00 0.00 0.00 179.01 179.33 3fyu h ILE 225 N 0.58 1.18 -0.66 3.13 2.04 -1.40 0.15 117.51 122.54 3fyu h ILE 225 Ca 0.16 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.51 3fyu h ILE 225 Cb -0.04 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 3fyu h ILE 225 CO -0.03 0.19 0.37 0.78 0.00 0.00 0.00 178.15 179.46 3fyu h ASN 226 N 0.32 0.57 -0.80 1.72 4.21 -1.27 -1.30 115.58 119.03 3fyu h ASN 226 Ca 0.10 0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.62 3fyu h ASN 226 Cb 0.19 -0.09 -0.04 0.00 -1.12 0.00 0.00 38.32 37.27 3fyu h ASN 226 CO -0.01 0.37 0.46 0.28 -1.29 0.00 0.00 177.43 177.25 3fyu h SER 227 N 0.70 0.99 -0.06 5.81 0.02 -0.39 -1.70 113.55 118.91 3fyu h SER 227 Ca 0.29 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3fyu h SER 227 Cb 0.15 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 3fyu h SER 227 CO -0.17 0.78 0.04 0.22 -1.14 0.00 0.00 176.83 176.56 3fyu h TYR 228 N 1.12 0.08 -0.11 3.45 3.20 0.10 -2.41 116.97 122.40 3fyu h TYR 228 Ca 0.29 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.11 3fyu h TYR 228 Cb -0.01 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3fyu h TYR 228 CO 0.01 0.10 -0.15 0.74 -1.64 0.00 0.00 178.16 177.22 3fyu h PHE 229 N 0.04 0.19 -0.09 -3.82 0.04 -0.94 -0.76 116.94 111.60 3fyu h PHE 229 Ca 0.02 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 3fyu h PHE 229 Cb 0.05 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 3fyu h PHE 229 CO -0.06 0.33 -0.11 0.00 -0.60 0.00 0.00 178.31 177.88 3fyu h ARG 230 N 0.17 0.13 0.00 1.51 3.08 -0.89 -2.55 114.38 115.83 3fyu h ARG 230 Ca 0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3fyu h ARG 230 Cb 0.38 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3fyu h ARG 230 CO 0.02 0.25 -0.67 0.54 -1.07 0.00 0.00 179.97 179.04 3fyu n ARG 231 N -4.34 0.24 -3.53 0.04 1.74 -0.40 -4.51 116.66 105.91 3fyu n ARG 231 Ca -0.01 0.06 -0.28 0.00 -0.77 0.00 0.00 57.85 56.84 3fyu n ARG 231 Cb 0.22 -1.64 -0.11 0.00 -1.02 0.00 0.00 32.46 29.91 3fyu n ARG 231 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3fyu s ASN 232 N -3.97 2.72 0.31 0.55 -0.87 -0.58 -4.99 114.94 108.10 3fyu s ASN 232 Ca 0.07 -2.77 0.24 0.00 -1.57 0.00 0.00 52.86 48.83 3fyu s ASN 232 Cb 0.14 -0.67 1.12 0.00 -0.02 0.00 0.00 41.25 41.82 3fyu s ASN 232 CO 0.73 -0.23 1.73 0.77 -2.57 0.00 0.00 177.10 177.53 3fyu h SER 233 N 6.29 0.00 -1.65 -1.22 4.64 -1.77 -3.43 113.55 116.41 3fyu h SER 233 Ca 0.13 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.76 3fyu h SER 233 Cb 0.92 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.02 3fyu h SER 233 CO 0.39 0.00 1.05 -0.67 -0.87 0.00 0.00 176.83 176.73 3fyu n ASP 234 N -2.32 2.73 -0.21 4.97 -0.08 -1.26 -4.82 116.55 115.56 3fyu n ASP 234 Ca 0.01 0.94 0.10 0.00 -1.51 0.00 0.00 54.79 54.33 3fyu n ASP 234 Cb 0.15 -1.24 0.39 0.00 2.34 0.00 0.00 41.12 42.76 3fyu n ASP 234 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3fyu h PRO 235 N 8.68 0.65 -0.08 -0.67 0.11 -2.00 -0.10 132.00 138.60 3fyu h PRO 235 Ca -0.44 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 3fyu h PRO 235 Cb 1.30 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3fyu h PRO 235 CO 0.97 0.43 -0.23 0.87 -0.21 0.00 0.00 178.00 179.83 3fyu h LYS 236 N 0.67 0.14 -0.37 1.05 1.57 -1.97 -2.30 116.57 115.37 3fyu h LYS 236 Ca 0.37 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 59.06 3fyu h LYS 236 Cb 0.52 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 3fyu h LYS 236 CO -0.14 0.37 0.02 0.28 -0.57 0.00 0.00 179.45 179.41 3fyu h VAL 237 N 0.13 1.20 -0.25 0.50 2.07 -1.35 -0.36 116.25 118.20 3fyu h VAL 237 Ca 0.02 -0.79 -0.20 0.00 0.82 0.00 0.00 66.70 66.55 3fyu h VAL 237 Cb 0.49 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3fyu h VAL 237 CO 0.03 0.28 -0.61 -0.08 0.02 0.00 0.00 177.57 177.21 3fyu h GLU 238 N 0.56 0.85 -0.22 1.57 4.81 -1.34 0.23 114.58 121.04 3fyu h GLU 238 Ca 0.12 -0.58 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 3fyu h GLU 238 Cb 0.33 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3fyu h GLU 238 CO 0.01 1.21 0.09 0.93 -0.73 0.00 0.00 179.01 180.51 3fyu h GLU 239 N 0.62 0.32 0.04 1.92 5.08 -1.15 -2.32 114.58 119.09 3fyu h GLU 239 Ca -0.01 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3fyu h GLU 239 Cb 1.23 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3fyu h GLU 239 CO 0.13 0.38 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.24 3fyu h LYS 240 N 0.20 -0.12 -0.28 2.33 1.63 -1.03 -0.79 116.57 118.51 3fyu h LYS 240 Ca 0.07 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.94 3fyu h LYS 240 Cb 0.17 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.77 3fyu h LYS 240 CO -0.01 -0.08 -0.15 0.00 -3.45 0.00 0.00 179.45 175.77 3fyu h ALA 241 N 0.83 0.07 0.00 5.00 0.00 -0.84 0.22 119.26 124.54 3fyu h ALA 241 Ca 0.01 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3fyu h ALA 241 Cb 0.13 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3fyu h ALA 241 CO -0.03 -0.55 -0.24 0.74 0.00 0.00 0.00 179.25 179.17 3fyu h PHE 242 N -0.11 0.00 -0.26 0.00 -1.00 -1.31 0.69 116.94 114.95 3fyu h PHE 242 Ca 0.15 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.89 3fyu h PHE 242 Cb 0.34 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 3fyu h PHE 242 CO -0.34 0.24 0.01 1.49 -1.61 0.00 0.00 178.31 178.10 3fyu h GLU 243 N 0.00 0.45 0.02 1.51 4.81 0.50 -1.84 114.58 120.04 3fyu h GLU 243 Ca -0.00 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3fyu h GLU 243 Cb 0.48 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3fyu h GLU 243 CO 0.03 0.61 -0.01 1.15 -0.73 0.00 0.00 179.01 180.06 3fyu h THR 244 N 0.24 1.06 -0.31 0.32 2.02 0.19 -2.95 112.91 113.48 3fyu h THR 244 Ca 0.07 -0.27 0.06 0.00 0.77 0.00 0.00 66.41 67.04 3fyu h THR 244 Cb 0.40 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 3fyu h THR 244 CO 0.01 0.07 0.22 -0.07 0.37 0.00 0.00 175.52 176.12 3fyu h LEU 245 N -0.15 0.16 -2.06 2.58 3.38 -0.79 -2.31 115.31 116.11 3fyu h LEU 245 Ca -0.00 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3fyu h LEU 245 Cb 0.14 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3fyu h LEU 245 CO 0.01 0.10 0.13 0.77 0.09 0.00 0.00 178.44 179.54 3fyu h SER 246 N 0.18 0.00 0.81 -0.43 4.64 -1.14 0.02 113.55 117.63 3fyu h SER 246 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3fyu h SER 246 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3fyu h SER 246 CO -0.02 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.72 3fyu n TYR 247 N -4.36 0.55 0.02 4.77 4.01 -0.87 -3.02 117.16 118.25 3fyu n TYR 247 Ca 0.01 0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.95 3fyu n TYR 247 Cb 0.26 -0.82 0.00 0.00 -0.31 0.00 0.00 39.34 38.47 3fyu n TYR 247 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3fyu n PHE 248 N -1.98 0.00 -2.16 -0.72 3.72 -0.14 -4.99 117.46 111.19 3fyu n PHE 248 Ca 0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.01 3fyu n PHE 248 Cb 0.26 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 3fyu n PHE 248 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3fyu s ASP 249 N -0.29 6.81 0.53 4.37 -1.08 -0.44 -4.89 116.67 121.68 3fyu s ASP 249 Ca 0.01 2.28 0.21 0.00 -0.52 0.00 0.00 52.55 54.53 3fyu s ASP 249 Cb 0.00 -2.58 1.37 0.00 -1.46 0.00 0.00 42.92 40.26 3fyu s ASP 249 CO 0.01 -0.69 2.08 -0.07 0.52 0.00 0.00 175.17 177.02 3fyu h LEU 250 N 7.37 0.00 -2.05 -1.34 3.38 -1.52 -0.81 115.31 120.33 3fyu h LEU 250 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3fyu h LEU 250 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3fyu h LEU 250 CO 0.88 0.00 0.00 0.16 0.09 0.00 0.00 178.44 179.57 3fyu h ILE 251 N 0.00 0.00 0.00 1.22 3.07 -1.88 0.35 117.51 120.27 3fyu h ILE 251 Ca 0.12 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 66.26 3fyu h ILE 251 Cb 0.48 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 38.26 3fyu h ILE 251 CO -0.00 0.00 -1.65 0.59 -1.05 0.00 0.00 178.15 176.04 3fyu n ASN 252 N -3.01 0.29 -0.08 2.16 3.02 -0.34 -4.39 115.26 112.93 3fyu n ASN 252 Ca -0.01 -0.08 -0.10 0.00 -0.03 0.00 0.00 54.58 54.36 3fyu n ASN 252 Cb 0.19 1.54 -0.15 0.00 -0.61 0.00 0.00 39.78 40.75 3fyu n ASN 252 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3fyu n LEU 253 N -2.21 0.30 -0.30 3.41 4.77 -0.79 -4.45 117.00 117.73 3fyu n LEU 253 Ca -0.02 0.12 0.14 0.00 -0.03 0.00 0.00 56.01 56.22 3fyu n LEU 253 Cb 0.53 0.38 0.31 0.00 -2.33 0.00 0.00 43.42 42.31 3fyu n LEU 253 CO 0.44 0.47 0.99 0.00 -1.33 0.00 0.00 177.39 177.96 3fyu h ALA 254 N 0.98 1.38 -0.05 -1.18 0.00 -0.53 -0.25 119.26 119.62 3fyu h ALA 254 Ca -0.47 0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.66 3fyu h ALA 254 Cb 2.18 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 20.22 3fyu h ALA 254 CO 0.04 -0.44 0.21 0.78 0.00 0.00 0.00 179.25 179.84 3fyu h GLY 255 N 0.27 0.00 1.22 0.00 0.00 -1.76 -0.98 103.07 101.82 3fyu h GLY 255 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.90 3fyu h GLY 255 CO -0.61 0.00 -0.41 0.79 0.00 0.00 0.00 176.54 176.30 3fyu n TRP 256 N -3.16 0.08 -2.41 5.60 8.01 -0.10 -4.75 117.44 120.70 3fyu n TRP 256 Ca -0.01 0.02 -0.42 0.00 -1.31 0.00 0.00 57.50 55.77 3fyu n TRP 256 Cb 0.28 -0.35 -0.03 0.00 -2.01 0.00 0.00 31.31 29.20 3fyu n TRP 256 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3fyu s VAL 257 N -3.02 4.18 -0.32 -0.99 1.01 -0.37 -4.65 120.40 116.24 3fyu s VAL 257 Ca 0.11 1.49 0.05 0.00 0.00 0.00 0.00 61.98 63.63 3fyu s VAL 257 Cb 0.17 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3fyu s VAL 257 CO 0.67 -0.03 0.29 0.29 0.00 0.00 0.00 175.10 176.32 3fyu n LYS 258 N 5.54 4.34 -2.92 2.72 4.76 -1.26 -4.46 118.16 126.87 3fyu n LYS 258 Ca 0.12 -0.15 -0.33 0.00 -2.87 0.00 0.00 58.31 55.08 3fyu n LYS 258 Cb 0.45 -0.80 -0.07 0.00 -1.84 0.00 0.00 35.03 32.78 3fyu n LYS 258 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3fyu s GLN 259 N -1.28 4.17 0.23 1.97 1.11 -1.26 -4.63 119.66 119.96 3fyu s GLN 259 Ca 0.03 0.98 -0.32 0.00 0.01 0.00 0.00 55.36 56.06 3fyu s GLN 259 Cb 0.04 -2.28 -0.13 0.00 -1.01 0.00 0.00 33.01 29.63 3fyu s GLN 259 CO 0.18 0.04 1.53 -2.30 0.01 0.00 0.00 175.29 174.75 3fyu n PRO 260 N -0.52 2.30 -4.75 2.91 -0.02 -1.24 -4.47 135.00 129.21 3fyu n PRO 260 Ca 0.06 0.82 -0.25 0.00 -2.02 0.00 0.00 63.50 62.11 3fyu n PRO 260 Cb 0.54 -2.56 -0.16 0.00 -0.02 0.00 0.00 33.50 31.30 3fyu n PRO 260 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3fyu s THR 261 N 0.35 1.29 -0.16 3.45 2.01 0.16 -0.71 115.64 122.04 3fyu s THR 261 Ca 0.71 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 62.07 3fyu s THR 261 Cb -0.61 -1.11 0.02 0.00 0.01 0.00 0.00 72.50 70.81 3fyu s THR 261 CO 0.44 0.37 -0.19 -0.22 -0.69 0.00 0.00 174.62 174.33 3fyu s LEU 262 N -0.04 2.03 0.23 4.42 2.96 0.49 -1.61 118.68 127.16 3fyu s LEU 262 Ca -0.01 -0.60 0.10 0.00 -0.22 0.00 0.00 54.13 53.40 3fyu s LEU 262 Cb -0.10 -1.40 -0.05 0.00 0.50 0.00 0.00 46.19 45.15 3fyu s LEU 262 CO 0.01 0.02 -0.18 -0.04 -1.32 0.00 0.00 176.35 174.84 3fyu s MET 263 N 1.16 1.47 0.08 1.98 -1.94 -0.02 -0.76 119.30 121.28 3fyu s MET 263 Ca 0.01 -1.62 0.02 0.00 -1.71 0.00 0.00 55.69 52.39 3fyu s MET 263 Cb -0.14 -1.47 -0.03 0.00 2.01 0.00 0.00 34.83 35.19 3fyu s MET 263 CO -0.09 0.28 -0.08 0.00 -0.01 0.00 0.00 175.02 175.12 3fyu s ALA 264 N -2.52 0.87 -0.24 3.03 0.00 -0.98 0.36 121.76 122.29 3fyu s ALA 264 Ca 0.24 -1.09 -0.18 0.00 0.00 0.00 0.00 51.96 50.93 3fyu s ALA 264 Cb -0.04 0.08 0.07 0.00 0.00 0.00 0.00 23.12 23.23 3fyu s ALA 264 CO 0.10 -0.10 0.61 -1.50 0.00 0.00 0.00 175.76 174.87 3fyu s ILE 265 N -2.49 -0.00 -0.16 0.00 1.10 -0.70 -0.07 121.20 118.88 3fyu s ILE 265 Ca 0.02 0.01 -0.09 0.00 -0.51 0.00 0.00 60.65 60.09 3fyu s ILE 265 Cb -0.02 -0.87 -0.05 0.00 0.15 0.00 0.00 42.46 41.67 3fyu s ILE 265 CO -0.02 0.01 0.13 -0.83 -2.11 0.00 0.00 174.94 172.12 3fyu s GLY 266 N 0.91 2.09 0.08 1.50 0.00 -1.26 -1.04 107.32 109.60 3fyu s GLY 266 Ca -0.05 -0.67 0.18 0.00 0.00 0.00 0.00 44.72 44.18 3fyu s GLY 266 CO -0.08 -0.09 1.56 1.04 0.00 0.00 0.00 173.10 175.53 3fyu n LEU 267 N 2.85 0.21 -0.95 0.66 4.77 -0.57 -2.30 117.00 121.67 3fyu n LEU 267 Ca -0.18 0.55 0.05 0.00 -0.03 0.00 0.00 56.01 56.40 3fyu n LEU 267 Cb 0.53 -0.52 0.24 0.00 -2.33 0.00 0.00 43.42 41.35 3fyu n LEU 267 CO 0.34 -0.33 0.71 2.30 -1.33 0.00 0.00 177.39 179.09 3fyu n ILE 268 N -1.73 2.35 -2.32 -0.08 -5.35 -0.89 -4.44 119.36 106.91 3fyu n ILE 268 Ca 0.03 -2.08 -0.43 0.00 -0.27 0.00 0.00 62.75 60.01 3fyu n ILE 268 Cb 0.20 -0.27 -0.02 0.00 -1.74 0.00 0.00 39.64 37.80 3fyu n ILE 268 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3fyu s ASP 269 N -2.09 6.62 0.00 7.28 -1.08 -0.97 -4.49 116.67 121.94 3fyu s ASP 269 Ca 0.43 1.43 0.23 0.00 -0.52 0.00 0.00 52.55 54.12 3fyu s ASP 269 Cb 0.36 -2.54 0.18 0.00 -1.46 0.00 0.00 42.92 39.46 3fyu s ASP 269 CO 0.07 -1.09 1.19 0.29 0.52 0.00 0.00 175.17 176.15 3fyu n LYS 270 N 7.32 0.29 -0.08 4.34 5.02 -1.26 -3.69 118.16 130.10 3fyu n LYS 270 Ca 0.16 -0.22 -0.21 0.00 -2.02 0.00 0.00 58.31 56.02 3fyu n LYS 270 Cb 0.46 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.85 3fyu n LYS 270 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3fyu h ILE 271 N 0.53 0.95 -3.23 -0.18 2.04 -1.87 -2.50 117.51 113.25 3fyu h ILE 271 Ca 0.00 -2.22 -0.63 0.00 1.00 0.00 0.00 64.86 63.01 3fyu h ILE 271 Cb 0.54 2.37 -0.41 0.00 -0.74 0.00 0.00 36.82 38.57 3fyu h ILE 271 CO 0.00 0.42 -0.61 0.42 0.00 0.00 0.00 178.15 178.38 3fyu s THR 272 N -2.38 2.66 0.25 -0.27 -4.23 -1.26 -4.73 115.64 105.68 3fyu s THR 272 Ca -0.27 -3.72 -0.29 0.00 -1.18 0.00 0.00 61.69 56.23 3fyu s THR 272 Cb 0.05 -2.80 -0.15 0.00 1.34 0.00 0.00 72.50 70.94 3fyu s THR 272 CO 0.63 -0.90 0.99 -2.65 -0.54 0.00 0.00 174.62 172.15 3fyu n PRO 273 N 2.61 1.14 -0.30 3.99 -0.02 -1.24 -4.76 135.00 136.42 3fyu n PRO 273 Ca 0.12 0.40 0.14 0.00 -2.02 0.00 0.00 63.50 62.14 3fyu n PRO 273 Cb 0.34 -1.76 0.31 0.00 -0.02 0.00 0.00 33.50 32.36 3fyu n PRO 273 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3fyu h PRO 274 N 2.24 0.30 -0.53 0.52 0.11 -1.82 -0.65 132.00 132.18 3fyu h PRO 274 Ca -0.39 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.77 3fyu h PRO 274 Cb 1.35 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.34 3fyu h PRO 274 CO 0.63 0.20 0.22 0.66 -0.21 0.00 0.00 178.00 179.49 3fyu h SER 275 N 0.31 0.25 0.38 -2.05 4.64 -1.93 0.21 113.55 115.36 3fyu h SER 275 Ca 0.56 0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.89 3fyu h SER 275 Cb 1.12 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3fyu h SER 275 CO -0.59 0.17 -0.22 0.71 -0.87 0.00 0.00 176.83 176.03 3fyu h THR 276 N 0.42 0.91 0.23 2.95 1.35 -1.42 0.10 112.91 117.45 3fyu h THR 276 Ca 0.25 -0.84 -0.34 0.00 -0.55 0.00 0.00 66.41 64.92 3fyu h THR 276 Cb 0.24 1.49 0.03 0.00 -1.73 0.00 0.00 68.15 68.18 3fyu h THR 276 CO -0.23 0.22 -1.56 0.58 -0.25 0.00 0.00 175.52 174.28 3fyu h VAL 277 N 0.00 1.17 -0.29 6.82 2.07 -0.91 -3.02 116.25 122.08 3fyu h VAL 277 Ca -0.00 -2.63 -0.07 0.00 0.82 0.00 0.00 66.70 64.82 3fyu h VAL 277 Cb 0.47 2.95 -0.02 0.00 -1.52 0.00 0.00 31.29 33.18 3fyu h VAL 277 CO 0.03 0.82 -0.13 -0.26 0.02 0.00 0.00 177.57 178.05 3fyu h PHE 278 N 0.12 0.53 -0.26 1.57 -1.00 -0.41 -1.03 116.94 116.46 3fyu h PHE 278 Ca -0.29 -0.08 0.03 0.00 2.81 0.00 0.00 57.97 60.45 3fyu h PHE 278 Cb 2.14 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 41.52 3fyu h PHE 278 CO 0.12 0.61 0.06 0.00 -1.61 0.00 0.00 178.31 177.49 3fyu h ALA 279 N 1.41 0.27 -0.25 2.45 0.00 -0.82 0.48 119.26 122.81 3fyu h ALA 279 Ca 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3fyu h ALA 279 Cb 0.50 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3fyu h ALA 279 CO 0.03 -0.36 0.08 0.00 0.00 0.00 0.00 179.25 179.00 3fyu h ALA 280 N 1.19 0.32 -0.78 0.00 0.00 -1.32 -2.87 119.26 115.79 3fyu h ALA 280 Ca 0.12 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3fyu h ALA 280 Cb 0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3fyu h ALA 280 CO -0.15 -0.05 0.51 -0.92 0.00 0.00 0.00 179.25 178.64 3fyu h TYR 281 N 0.23 0.97 0.00 0.00 3.20 -0.72 -1.89 116.97 118.76 3fyu h TYR 281 Ca 0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3fyu h TYR 281 Cb 0.24 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.18 3fyu h TYR 281 CO 0.00 0.59 0.00 0.09 -1.64 0.00 0.00 178.16 177.21 3fyu n ASN 282 N -4.56 0.00 -0.55 -2.11 3.02 0.17 -2.20 115.26 109.02 3fyu n ASN 282 Ca 0.08 0.28 0.11 0.00 -0.03 0.00 0.00 54.58 55.02 3fyu n ASN 282 Cb 0.04 -0.40 0.04 0.00 -0.61 0.00 0.00 39.78 38.85 3fyu n ASN 282 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3fyu n HIS 283 N -1.40 0.00 -2.89 3.10 8.25 -0.72 -4.90 115.22 116.66 3fyu n HIS 283 Ca 0.06 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.11 3fyu n HIS 283 Cb 0.17 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.24 3fyu n HIS 283 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3fyu s LEU 284 N -2.40 4.30 -0.63 2.41 1.43 -0.94 -3.08 118.68 119.77 3fyu s LEU 284 Ca 0.20 1.35 0.05 0.00 -1.03 0.00 0.00 54.13 54.70 3fyu s LEU 284 Cb 0.18 -3.29 0.16 0.00 0.03 0.00 0.00 46.19 43.27 3fyu s LEU 284 CO 0.53 -0.23 0.41 -1.61 0.23 0.00 0.00 176.35 175.67 3fyu s GLU 285 N 1.19 2.23 0.18 1.70 2.02 -1.26 -5.02 118.70 119.73 3fyu s GLU 285 Ca 0.43 -3.04 -0.23 0.00 0.02 0.00 0.00 54.97 52.14 3fyu s GLU 285 Cb -0.19 -3.31 0.07 0.00 0.10 0.00 0.00 34.13 30.81 3fyu s GLU 285 CO 0.20 -1.23 1.01 -0.08 0.02 0.00 0.00 175.26 175.19 3fyu s THR 286 N -0.99 0.00 -0.16 3.63 -1.32 -1.26 -4.76 115.64 110.78 3fyu s THR 286 Ca 0.22 -0.61 -0.29 0.00 -1.21 0.00 0.00 61.69 59.80 3fyu s THR 286 Cb -0.12 -2.57 -0.05 0.00 -1.51 0.00 0.00 72.50 68.25 3fyu s THR 286 CO -0.11 0.00 1.95 -0.62 -2.21 0.00 0.00 174.62 173.63 3fyu s ASP 287 N -3.23 6.02 0.19 8.08 -1.08 -1.26 -4.90 116.67 120.49 3fyu s ASP 287 Ca 0.18 1.99 -0.06 0.00 -0.52 0.00 0.00 52.55 54.14 3fyu s ASP 287 Cb -0.02 -2.52 -0.02 0.00 -1.46 0.00 0.00 42.92 38.89 3fyu s ASP 287 CO 0.04 -1.49 0.25 -1.59 0.52 0.00 0.00 175.17 172.90 3fyu s LYS 288 N 5.30 1.24 -0.28 4.34 -2.85 -1.26 0.41 119.74 126.63 3fyu s LYS 288 Ca 0.87 -1.38 -0.17 0.00 -1.00 0.00 0.00 55.97 54.30 3fyu s LYS 288 Cb -0.33 0.35 0.11 0.00 -2.06 0.00 0.00 37.83 35.90 3fyu s LYS 288 CO 0.35 -0.45 0.84 0.34 0.10 0.00 0.00 175.35 176.53 3fyu s ASP 289 N -3.05 -0.71 -0.26 0.03 2.15 -0.63 -4.94 116.67 109.25 3fyu s ASP 289 Ca 0.27 1.16 -0.03 0.00 0.43 0.00 0.00 52.55 54.37 3fyu s ASP 289 Cb 0.04 1.28 0.02 0.00 -0.30 0.00 0.00 42.92 43.96 3fyu s ASP 289 CO 0.06 -0.18 -0.02 -0.22 -0.17 0.00 0.00 175.17 174.64 3fyu s LEU 290 N 1.37 3.35 -0.25 -1.34 2.96 -1.26 -0.84 118.68 122.68 3fyu s LEU 290 Ca -0.08 -0.81 -0.23 0.00 -0.22 0.00 0.00 54.13 52.78 3fyu s LEU 290 Cb -0.04 -1.72 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 3fyu s LEU 290 CO -0.16 -0.14 0.78 -0.54 -1.32 0.00 0.00 176.35 174.97 3fyu s LYS 291 N 1.38 4.14 -0.18 1.98 -0.14 0.16 -4.96 119.74 122.11 3fyu s LYS 291 Ca 0.01 0.80 -0.09 0.00 -1.36 0.00 0.00 55.97 55.34 3fyu s LYS 291 Cb -0.17 -3.66 -0.05 0.00 -1.68 0.00 0.00 37.83 32.28 3fyu s LYS 291 CO -0.03 -0.51 0.11 0.08 -0.76 0.00 0.00 175.35 174.24 3fyu s VAL 292 N 2.78 5.25 -0.32 3.17 1.01 -1.26 -1.71 120.40 129.31 3fyu s VAL 292 Ca 0.32 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.45 3fyu s VAL 292 Cb -0.15 -3.36 0.09 0.00 0.00 0.00 0.00 36.38 32.96 3fyu s VAL 292 CO 0.08 0.48 0.04 -0.31 0.00 0.00 0.00 175.10 175.40 3fyu s TYR 293 N 0.08 3.01 0.23 5.22 2.02 -0.21 -4.98 117.35 122.71 3fyu s TYR 293 Ca 0.08 -2.47 -0.07 0.00 -0.37 0.00 0.00 57.07 54.24 3fyu s TYR 293 Cb -0.11 -2.38 0.37 0.00 -0.40 0.00 0.00 41.96 39.43 3fyu s TYR 293 CO -0.00 -0.91 1.71 -0.09 -1.57 0.00 0.00 175.55 174.69 3fyu h ARG 294 N 7.79 0.31 -0.60 -0.62 9.65 -1.95 -1.48 114.38 127.48 3fyu h ARG 294 Ca -0.09 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 3fyu h ARG 294 Cb 1.03 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.53 3fyu h ARG 294 CO 0.49 0.21 0.00 0.66 2.80 0.00 0.00 179.97 184.13 3fyu n TYR 295 N -5.09 1.02 -4.47 2.20 4.01 -1.26 -4.01 117.16 109.56 3fyu n TYR 295 Ca 0.11 -0.42 -0.25 0.00 -0.16 0.00 0.00 57.90 57.19 3fyu n TYR 295 Cb 0.37 -0.16 -0.10 0.00 -0.31 0.00 0.00 39.34 39.14 3fyu n TYR 295 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3fyu s PHE 296 N -1.69 2.38 0.00 -0.72 0.40 -1.13 -4.96 117.98 112.26 3fyu s PHE 296 Ca 0.37 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.30 3fyu s PHE 296 Cb 0.23 -1.19 0.00 0.00 0.51 0.00 0.00 43.02 42.57 3fyu s PHE 296 CO 0.19 0.64 0.00 0.41 0.70 0.00 0.00 175.22 177.16 3fyu n GLY 297 N -0.73 5.28 3.54 4.36 0.00 -1.26 -2.09 105.19 114.29 3fyu n GLY 297 Ca -0.05 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 3fyu n GLY 297 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fyu s HIS 298 N 3.65 3.01 0.31 1.61 2.46 -1.26 -4.40 115.29 120.66 3fyu s HIS 298 Ca 0.00 -1.75 -0.17 0.00 0.47 0.00 0.00 55.06 53.61 3fyu s HIS 298 Cb 0.00 -4.61 0.06 0.00 -0.13 0.00 0.00 32.58 27.91 3fyu s HIS 298 CO 0.00 -1.68 0.85 -0.85 -2.47 0.00 0.00 174.74 170.59 3fyu n GLU 299 N 7.51 0.92 -2.23 2.88 0.28 -1.26 -5.06 120.64 123.68 3fyu n GLU 299 Ca 0.44 -1.88 -0.42 0.00 -0.16 0.00 0.00 57.16 55.14 3fyu n GLU 299 Cb 0.45 2.40 -0.03 0.00 1.43 0.00 0.00 31.44 35.69 3fyu n GLU 299 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3fyu s PHE 300 N -2.36 3.26 -0.36 -1.84 5.36 -1.26 -4.99 117.98 115.79 3fyu s PHE 300 Ca 0.18 1.02 -0.01 0.00 -0.96 0.00 0.00 56.93 57.16 3fyu s PHE 300 Cb -0.04 -3.62 0.09 0.00 -0.34 0.00 0.00 43.02 39.11 3fyu s PHE 300 CO 0.09 -2.15 0.10 0.42 -1.46 0.00 0.00 175.22 172.23 3fyu s ILE 301 N 1.19 2.96 0.22 3.12 1.01 -1.26 -5.01 121.20 123.43 3fyu s ILE 301 Ca 0.63 -1.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.23 3fyu s ILE 301 Cb -0.35 -2.96 0.26 0.00 0.01 0.00 0.00 42.46 39.42 3fyu s ILE 301 CO 0.30 -0.49 1.60 -0.65 0.00 0.00 0.00 174.94 175.70 3fyu h PRO 302 N 7.93 -0.03 -0.66 2.79 0.11 -2.01 0.41 132.00 140.54 3fyu h PRO 302 Ca -0.14 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.06 3fyu h PRO 302 Cb 1.05 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 3fyu h PRO 302 CO 0.61 -0.02 0.44 0.00 -0.21 0.00 0.00 178.00 178.81 3fyu h ALA 303 N 1.57 1.87 0.00 -0.75 0.00 -2.02 -0.64 119.26 119.30 3fyu h ALA 303 Ca 0.32 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 3fyu h ALA 303 Cb 0.54 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3fyu h ALA 303 CO -0.74 -0.00 -0.23 0.35 0.00 0.00 0.00 179.25 178.63 3fyu h PHE 304 N 0.56 0.00 -0.39 0.00 3.57 -1.36 -2.93 116.94 116.39 3fyu h PHE 304 Ca 0.30 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.75 3fyu h PHE 304 Cb 0.42 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 3fyu h PHE 304 CO -0.00 0.23 0.07 0.37 -2.23 0.00 0.00 178.31 176.75 3fyu h GLN 305 N 0.00 0.65 -0.04 1.11 5.75 -0.56 0.21 115.11 122.23 3fyu h GLN 305 Ca -0.00 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.33 3fyu h GLN 305 Cb 0.93 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.40 3fyu h GLN 305 CO 0.03 0.70 0.01 1.15 -2.65 0.00 0.00 178.83 178.07 3fyu h THR 306 N 0.50 0.99 -0.33 2.39 2.02 -1.45 0.21 112.91 117.24 3fyu h THR 306 Ca 0.12 -0.01 0.07 0.00 0.77 0.00 0.00 66.41 67.36 3fyu h THR 306 Cb 0.36 0.96 -0.07 0.00 -1.74 0.00 0.00 68.15 67.66 3fyu h THR 306 CO 0.01 0.01 -0.11 -0.33 0.37 0.00 0.00 175.52 175.46 3fyu h GLU 307 N 0.03 -0.04 0.33 6.66 4.39 -1.32 0.20 114.58 124.83 3fyu h GLU 307 Ca 0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 3fyu h GLU 307 Cb 0.01 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3fyu h GLU 307 CO -0.02 -0.03 -0.24 -0.22 -1.16 0.00 0.00 179.01 177.34 3fyu h LYS 308 N -0.04 -0.55 -0.85 2.33 3.64 -0.11 0.21 116.57 121.20 3fyu h LYS 308 Ca 0.17 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.63 3fyu h LYS 308 Cb 0.29 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.18 3fyu h LYS 308 CO -0.37 -0.37 0.53 -0.07 -2.27 0.00 0.00 179.45 176.91 3fyu h LEU 309 N -0.57 0.86 -0.58 5.20 3.38 -0.24 -0.40 115.31 122.96 3fyu h LEU 309 Ca -0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3fyu h LEU 309 Cb 0.50 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3fyu h LEU 309 CO 0.00 0.58 -0.02 -1.28 0.09 0.00 0.00 178.44 177.81 3fyu h SER 310 N 1.01 1.03 0.10 -0.43 0.87 -0.37 -0.53 113.55 115.23 3fyu h SER 310 Ca 0.35 -0.32 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3fyu h SER 310 Cb 0.08 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 3fyu h SER 310 CO -0.14 1.10 -0.05 0.15 -0.53 0.00 0.00 176.83 177.36 3fyu h PHE 311 N 0.94 -0.12 -0.68 2.24 3.04 0.01 -1.97 116.94 120.39 3fyu h PHE 311 Ca 0.16 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.08 3fyu h PHE 311 Cb 0.58 0.04 -0.03 0.00 2.56 0.00 0.00 35.95 39.10 3fyu h PHE 311 CO 0.04 0.16 0.29 -0.07 -2.02 0.00 0.00 178.31 176.71 3fyu h LEU 312 N -0.41 0.90 -0.41 0.59 3.38 -1.08 -1.97 115.31 116.32 3fyu h LEU 312 Ca -0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3fyu h LEU 312 Cb 0.34 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3fyu h LEU 312 CO 0.02 0.79 0.19 -0.61 0.09 0.00 0.00 178.44 178.93 3fyu h GLN 313 N 0.97 0.58 -0.68 1.13 4.15 -1.04 0.29 115.11 120.52 3fyu h GLN 313 Ca 0.23 -0.09 -0.07 0.00 0.77 0.00 0.00 58.65 59.49 3fyu h GLN 313 Cb 0.16 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 3fyu h GLN 313 CO -0.02 0.51 0.13 -0.22 -1.93 0.00 0.00 178.83 177.30 3fyu h LYS 314 N 0.51 1.10 0.00 1.69 3.64 -1.06 -1.07 116.57 121.38 3fyu h LYS 314 Ca 0.14 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3fyu h LYS 314 Cb 0.12 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3fyu h LYS 314 CO -0.02 0.99 -1.26 0.72 -2.27 0.00 0.00 179.45 177.62 3fyu n HIS 315 N -4.22 0.67 0.00 1.91 8.25 -0.77 -4.68 115.22 116.38 3fyu n HIS 315 Ca 0.05 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 3fyu n HIS 315 Cb 0.28 -0.80 0.00 0.00 1.12 0.00 0.00 29.99 30.59 3fyu n HIS 315 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3fyu n LEU 316 N -2.51 2.62 0.00 2.41 4.77 0.10 -4.96 117.00 119.43 3fyu n LEU 316 Ca -0.01 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.12 3fyu n LEU 316 Cb 0.55 0.00 0.87 0.00 -2.33 0.00 0.00 43.42 42.51 3fyu n LEU 316 CO 0.42 0.43 1.04 0.18 -1.33 0.00 0.00 177.39 178.13