#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1y s PRO 11 N 0.00 4.21 0.31 1.61 0.02 -1.26 -4.96 135.00 134.93 3f1y s PRO 11 Ca 0.00 2.05 0.14 0.00 0.02 0.00 0.00 61.00 63.21 3f1y s PRO 11 Cb 0.00 -2.90 0.46 0.00 0.02 0.00 0.00 34.50 32.08 3f1y s PRO 11 CO 0.00 -0.25 1.64 0.00 -0.33 0.00 0.00 177.00 178.06 3f1y h ALA 12 N 3.05 0.94 -2.46 -1.55 0.00 -2.00 -3.48 119.26 113.76 3f1y h ALA 12 Ca -0.49 -0.48 0.16 0.00 0.00 0.00 0.00 54.91 54.10 3f1y h ALA 12 Cb 1.23 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 3f1y h ALA 12 CO 0.64 0.65 0.47 -1.54 0.00 0.00 0.00 179.25 179.47 3f1y s SER 13 N -6.64 -0.14 0.20 0.00 1.04 -1.26 -4.99 113.70 101.91 3f1y s SER 13 Ca -0.00 -0.51 -0.11 0.00 0.48 0.00 0.00 55.95 55.81 3f1y s SER 13 Cb 0.12 0.53 0.19 0.00 0.10 0.00 0.00 66.02 66.95 3f1y s SER 13 CO 0.73 -1.00 1.82 0.00 0.98 0.00 0.00 173.24 175.77 3f1y h ALA 14 N 2.00 0.83 -0.65 5.32 0.00 -1.91 -1.41 119.26 123.43 3f1y h ALA 14 Ca -0.25 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3f1y h ALA 14 Cb 1.23 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3f1y h ALA 14 CO 0.28 0.07 0.36 0.00 0.00 0.00 0.00 179.25 179.97 3f1y h ALA 15 N 1.30 0.84 -0.53 0.00 0.00 -1.98 0.19 119.26 119.08 3f1y h ALA 15 Ca 0.27 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3f1y h ALA 15 Cb 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3f1y h ALA 15 CO -0.14 0.35 0.04 0.93 0.00 0.00 0.00 179.25 180.43 3f1y h GLU 16 N 0.89 0.91 -0.17 0.00 4.39 -1.81 -1.76 114.58 117.03 3f1y h GLU 16 Ca 0.23 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.67 3f1y h GLU 16 Cb 0.03 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3f1y h GLU 16 CO -0.04 0.91 0.10 2.35 -1.16 0.00 0.00 179.01 181.17 3f1y h TRP 17 N 0.79 0.19 -0.74 4.33 7.01 -0.89 -1.08 115.95 125.55 3f1y h TRP 17 Ca 0.16 0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.29 3f1y h TRP 17 Cb 0.47 -0.06 -0.09 0.00 -2.10 0.00 0.00 29.16 27.38 3f1y h TRP 17 CO 0.03 0.11 0.31 0.35 -2.79 0.00 0.00 178.44 176.46 3f1y h PHE 18 N 0.21 0.54 -0.25 2.65 3.04 -0.46 0.12 116.94 122.78 3f1y h PHE 18 Ca 0.07 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.02 3f1y h PHE 18 Cb -0.01 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.37 3f1y h PHE 18 CO -0.08 0.10 0.03 -0.09 -2.02 0.00 0.00 178.31 176.25 3f1y h ARG 19 N 0.47 0.43 0.00 1.11 2.43 -1.09 -2.83 114.38 114.91 3f1y h ARG 19 Ca 0.40 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3f1y h ARG 19 Cb 0.57 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3f1y h ARG 19 CO -0.37 0.56 -0.28 1.96 -1.51 0.00 0.00 179.97 180.33 3f1y h GLN 20 N 0.23 0.00 0.00 0.20 4.20 -0.39 -3.37 115.11 115.98 3f1y h GLN 20 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3f1y h GLN 20 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3f1y h GLN 20 CO 0.01 0.00 -0.07 0.54 -0.67 0.00 0.00 178.83 178.63 3f1y n ARG 21 N -2.73 1.49 -4.50 1.46 5.12 0.34 -4.98 116.66 112.85 3f1y n ARG 21 Ca 0.03 -1.54 -0.34 0.00 -1.93 0.00 0.00 57.85 54.08 3f1y n ARG 21 Cb 0.50 -0.97 -0.12 0.00 -1.16 0.00 0.00 32.46 30.71 3f1y n ARG 21 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3f1y s SER 22 N -1.34 4.64 0.32 0.55 0.01 -1.07 -1.44 113.70 115.37 3f1y s SER 22 Ca 0.09 -0.15 0.04 0.00 1.31 0.00 0.00 55.95 57.25 3f1y s SER 22 Cb 0.08 -1.66 -0.06 0.00 0.21 0.00 0.00 66.02 64.58 3f1y s SER 22 CO 0.01 0.20 0.04 -0.31 0.41 0.00 0.00 173.24 173.59 3f1y s TYR 23 N 0.17 1.95 0.14 2.43 1.51 -0.54 -4.97 117.35 118.05 3f1y s TYR 23 Ca -0.03 -0.93 0.07 0.00 -1.01 0.00 0.00 57.07 55.18 3f1y s TYR 23 Cb -0.14 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.41 3f1y s TYR 23 CO 0.03 0.04 -0.06 0.34 -1.11 0.00 0.00 175.55 174.80 3f1y s ASP 24 N -3.48 4.54 0.51 2.29 2.15 -1.26 -0.08 116.67 121.34 3f1y s ASP 24 Ca 0.35 -0.42 0.29 0.00 0.43 0.00 0.00 52.55 53.21 3f1y s ASP 24 Cb 0.08 -0.90 1.19 0.00 -0.30 0.00 0.00 42.92 42.99 3f1y s ASP 24 CO 0.15 0.13 1.92 0.10 -0.17 0.00 0.00 175.17 177.30 3f1y h TYR 25 N 3.12 0.00 0.00 -5.34 -0.00 -1.72 -2.41 116.97 110.62 3f1y h TYR 25 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.25 3f1y h TYR 25 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.92 3f1y h TYR 25 CO 0.62 0.10 0.04 0.78 -0.00 0.00 0.00 178.16 179.70 3f1y h GLY 26 N 2.00 0.00 1.21 0.10 0.00 -1.95 -1.65 103.07 102.78 3f1y h GLY 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3f1y h GLY 26 CO 0.01 0.00 -0.12 -1.06 0.00 0.00 0.00 176.54 175.37 3f1y n GLN 27 N -2.83 0.43 -3.28 4.80 6.02 -0.91 -4.36 117.38 117.25 3f1y n GLN 27 Ca -0.02 -0.13 -0.25 0.00 -0.01 0.00 0.00 57.00 56.59 3f1y n GLN 27 Cb 0.10 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.79 3f1y n GLN 27 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3f1y n PHE 28 N -1.17 1.78 -1.62 1.08 3.72 -0.62 -5.10 117.46 115.53 3f1y n PHE 28 Ca 0.12 -3.88 -0.42 0.00 -0.05 0.00 0.00 57.45 53.22 3f1y n PHE 28 Cb 0.29 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 3f1y n PHE 28 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3f1y n PRO 29 N 0.98 1.44 -0.23 -1.08 -0.02 -1.26 -4.71 135.00 130.12 3f1y n PRO 29 Ca 0.26 0.51 -0.01 0.00 -2.02 0.00 0.00 63.50 62.24 3f1y n PRO 29 Cb 0.47 -2.04 0.10 0.00 -0.02 0.00 0.00 33.50 32.01 3f1y n PRO 29 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3f1y h PRO 30 N 1.73 0.67 -0.14 0.52 0.11 -1.98 -2.09 132.00 130.82 3f1y h PRO 30 Ca -0.44 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.67 3f1y h PRO 30 Cb 1.33 -0.15 -0.07 0.00 0.11 0.00 0.00 31.00 32.22 3f1y h PRO 30 CO 0.58 0.44 -0.43 0.93 -0.21 0.00 0.00 178.00 179.31 3f1y h GLU 31 N 0.69 -0.47 -0.43 1.05 4.39 -1.88 0.16 114.58 118.07 3f1y h GLU 31 Ca 0.31 0.03 0.08 0.00 0.34 0.00 0.00 59.36 60.11 3f1y h GLU 31 Cb 0.20 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 28.89 3f1y h GLU 31 CO -0.19 -0.32 0.04 -0.44 -1.16 0.00 0.00 179.01 176.94 3f1y h ASP 32 N -0.49 -0.10 -0.30 1.42 3.32 -1.83 -0.29 116.42 118.14 3f1y h ASP 32 Ca 0.07 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.24 3f1y h ASP 32 Cb 0.63 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 3f1y h ASP 32 CO -0.40 -0.01 0.12 -0.07 -1.72 0.00 0.00 179.24 177.16 3f1y h LEU 33 N 0.16 0.16 -0.43 1.55 3.38 -0.89 0.22 115.31 119.46 3f1y h LEU 33 Ca 0.21 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3f1y h LEU 33 Cb 0.29 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3f1y h LEU 33 CO -0.32 0.13 0.26 0.00 0.09 0.00 0.00 178.44 178.60 3f1y h ALA 34 N 1.17 0.55 -0.23 1.53 0.00 -0.47 0.20 119.26 122.02 3f1y h ALA 34 Ca 0.13 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3f1y h ALA 34 Cb 0.08 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 3f1y h ALA 34 CO -0.11 0.05 -0.14 -0.09 0.00 0.00 0.00 179.25 178.95 3f1y h ARG 35 N 0.57 -0.12 -0.49 0.00 2.43 -0.82 -1.49 114.38 114.46 3f1y h ARG 35 Ca 0.15 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 3f1y h ARG 35 Cb 0.01 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3f1y h ARG 35 CO -0.03 -0.08 0.29 -0.09 -1.51 0.00 0.00 179.97 178.55 3f1y h ARG 36 N -0.13 0.57 0.17 0.20 9.65 0.26 -1.09 114.38 124.02 3f1y h ARG 36 Ca 0.13 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 3f1y h ARG 36 Cb 0.32 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 3f1y h ARG 36 CO -0.31 0.38 -0.08 -0.22 2.80 0.00 0.00 179.97 182.54 3f1y h LYS 37 N 0.59 -0.22 -0.62 0.20 3.64 -0.36 0.29 116.57 120.10 3f1y h LYS 37 Ca 0.19 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.68 3f1y h LYS 37 Cb 0.00 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.80 3f1y h LYS 37 CO -0.08 -0.14 0.22 0.00 -2.27 0.00 0.00 179.45 177.18 3f1y h ARG 38 N -0.23 0.38 -0.76 1.90 3.08 -1.10 0.15 114.38 117.80 3f1y h ARG 38 Ca -0.02 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.02 3f1y h ARG 38 Cb 0.18 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 3f1y h ARG 38 CO 0.04 0.25 0.51 0.93 -1.07 0.00 0.00 179.97 180.63 3f1y h GLU 39 N 0.40 0.97 0.00 0.04 5.08 -0.40 -1.55 114.58 119.12 3f1y h GLU 39 Ca 0.31 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3f1y h GLU 39 Cb 0.40 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3f1y h GLU 39 CO -0.32 0.64 -0.18 1.28 -1.00 0.00 0.00 179.01 179.43 3f1y n LEU 40 N -4.43 0.67 -1.09 1.33 4.77 0.93 -4.93 117.00 114.26 3f1y n LEU 40 Ca 0.09 0.45 -0.11 0.00 -0.03 0.00 0.00 56.01 56.41 3f1y n LEU 40 Cb 0.06 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 3f1y n LEU 40 CO 0.36 -0.11 -0.13 0.61 -1.33 0.00 0.00 177.39 176.79 3f1y n GLY 41 N 1.35 0.35 3.90 -0.72 0.00 0.42 -5.02 105.19 105.47 3f1y n GLY 41 Ca 0.05 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 3f1y n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f1y s LEU 42 N -2.86 4.32 0.23 0.99 1.43 -1.01 -5.04 118.68 116.74 3f1y s LEU 42 Ca 0.00 0.52 0.10 0.00 -1.03 0.00 0.00 54.13 53.73 3f1y s LEU 42 Cb 0.00 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 3f1y s LEU 42 CO 0.00 0.14 -0.13 0.42 0.23 0.00 0.00 176.35 177.01 3f1y s THR 43 N -1.51 2.91 -0.09 5.49 -4.23 -1.26 -4.68 115.64 112.26 3f1y s THR 43 Ca 0.35 -1.99 -0.00 0.00 -1.18 0.00 0.00 61.69 58.87 3f1y s THR 43 Cb -0.13 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.25 3f1y s THR 43 CO 0.23 -0.25 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.30 3f1y s VAL 44 N -2.07 0.88 -0.23 2.29 1.01 -1.26 -0.91 120.40 120.11 3f1y s VAL 44 Ca 0.27 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 61.91 3f1y s VAL 44 Cb -0.07 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 3f1y s VAL 44 CO 0.15 0.34 0.24 -0.44 0.00 0.00 0.00 175.10 175.39 3f1y s SER 45 N 1.57 6.21 -0.20 3.32 0.01 0.44 -0.05 113.70 124.99 3f1y s SER 45 Ca 0.01 0.23 -0.15 0.00 1.31 0.00 0.00 55.95 57.35 3f1y s SER 45 Cb -0.13 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 3f1y s SER 45 CO -0.06 0.01 0.38 0.00 0.41 0.00 0.00 173.24 173.98 3f1y s ALA 46 N 1.18 3.56 -0.18 1.44 0.00 0.02 -0.16 121.76 127.63 3f1y s ALA 46 Ca 0.11 -0.55 -0.03 0.00 0.00 0.00 0.00 51.96 51.49 3f1y s ALA 46 Cb -0.14 -2.60 -0.01 0.00 0.00 0.00 0.00 23.12 20.36 3f1y s ALA 46 CO 0.06 -0.28 -0.07 0.08 0.00 0.00 0.00 175.76 175.54 3f1y s VAL 47 N 1.28 3.39 -0.38 0.00 1.01 0.96 -0.51 120.40 126.15 3f1y s VAL 47 Ca 0.18 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3f1y s VAL 47 Cb -0.15 -2.49 0.11 0.00 0.00 0.00 0.00 36.38 33.85 3f1y s VAL 47 CO 0.08 0.47 0.13 -0.76 0.00 0.00 0.00 175.10 175.02 3f1y s LEU 48 N 0.86 4.98 -0.25 3.92 1.43 0.81 -1.32 118.68 129.11 3f1y s LEU 48 Ca -0.02 -2.15 -0.29 0.00 -1.03 0.00 0.00 54.13 50.64 3f1y s LEU 48 Cb -0.15 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 3f1y s LEU 48 CO 0.01 -0.45 1.71 -2.84 0.23 0.00 0.00 176.35 175.02 3f1y s PRO 49 N 0.94 3.64 -0.24 1.29 0.02 -1.26 -1.52 135.00 137.86 3f1y s PRO 49 Ca 0.10 1.64 0.01 0.00 0.02 0.00 0.00 61.00 62.77 3f1y s PRO 49 Cb -0.21 -4.11 0.06 0.00 0.02 0.00 0.00 34.50 30.27 3f1y s PRO 49 CO -0.06 -1.49 -0.07 -1.12 -0.33 0.00 0.00 177.00 173.93 3f1y s SER 50 N 4.98 4.04 -0.28 2.53 0.01 0.27 -4.21 113.70 121.04 3f1y s SER 50 Ca 0.76 -1.25 0.01 0.00 1.31 0.00 0.00 55.95 56.79 3f1y s SER 50 Cb -0.25 -1.29 0.06 0.00 0.21 0.00 0.00 66.02 64.74 3f1y s SER 50 CO 0.31 -0.22 -0.07 -0.60 0.41 0.00 0.00 173.24 173.08 3f1y s ARG 51 N 1.30 2.27 -1.18 12.44 3.52 -1.26 -1.08 118.95 134.96 3f1y s ARG 51 Ca -0.07 -1.35 -0.16 0.00 -0.13 0.00 0.00 55.73 54.02 3f1y s ARG 51 Cb -0.19 -3.00 -0.01 0.00 -1.56 0.00 0.00 34.95 30.19 3f1y s ARG 51 CO -0.06 -0.61 0.74 0.09 -0.81 0.00 0.00 175.30 174.66 3f1y n ASN 52 N 4.48 -4.36 -1.54 -2.12 3.02 -1.26 -4.92 115.26 108.56 3f1y n ASN 52 Ca -0.13 -0.98 -0.12 0.00 -0.03 0.00 0.00 54.58 53.32 3f1y n ASN 52 Cb 0.42 -3.49 0.09 0.00 -0.61 0.00 0.00 39.78 36.20 3f1y n ASN 52 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3f1y n VAL 53 N -4.17 2.32 0.05 2.41 0.24 -1.26 -4.80 118.33 113.11 3f1y n VAL 53 Ca -0.14 -3.76 0.05 0.00 -2.04 0.00 0.00 64.34 58.45 3f1y n VAL 53 Cb 0.61 -0.69 0.47 0.00 -1.47 0.00 0.00 33.84 32.76 3f1y n VAL 53 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3f1y h ALA 54 N 1.75 1.76 0.00 2.33 0.00 -1.90 -0.25 119.26 122.96 3f1y h ALA 54 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3f1y h ALA 54 Cb 1.35 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3f1y h ALA 54 CO 0.46 0.22 0.00 -0.40 0.00 0.00 0.00 179.25 179.53 3f1y n ASP 55 N -4.48 0.49 0.00 0.00 5.75 -1.26 -4.37 116.55 112.67 3f1y n ASP 55 Ca 0.02 0.58 0.00 0.00 -0.01 0.00 0.00 54.79 55.37 3f1y n ASP 55 Cb 0.07 -0.70 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 3f1y n ASP 55 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3f1y n THR 56 N -1.99 0.00 0.26 2.12 -2.24 -0.67 -4.82 114.28 106.94 3f1y n THR 56 Ca 0.05 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.92 3f1y n THR 56 Cb 0.31 -0.73 0.67 0.00 -2.10 0.00 0.00 70.33 68.48 3f1y n THR 56 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3f1y h VAL 57 N 0.00 0.85 -0.48 2.28 -1.51 -1.16 -1.95 116.25 114.28 3f1y h VAL 57 Ca 0.00 -0.32 -0.01 0.00 -1.23 0.00 0.00 66.70 65.14 3f1y h VAL 57 Cb 0.82 1.18 -0.02 0.00 -2.13 0.00 0.00 31.29 31.14 3f1y h VAL 57 CO 0.00 0.08 0.26 1.23 -1.23 0.00 0.00 177.57 177.91 3f1y h GLY 58 N 0.35 0.73 1.12 5.19 0.00 -1.81 -1.49 103.07 107.15 3f1y h GLY 58 Ca -0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 3f1y h GLY 58 CO 0.01 0.32 -0.06 -1.33 0.00 0.00 0.00 176.54 175.49 3f1y h GLY 59 N 0.64 1.13 0.85 4.60 0.00 -1.68 -1.49 103.07 107.11 3f1y h GLY 59 Ca 0.17 -0.87 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 3f1y h GLY 59 CO -0.03 0.79 0.03 -2.22 0.00 0.00 0.00 176.54 175.12 3f1y h ILE 60 N 0.94 1.16 -0.75 2.60 2.04 -1.28 -0.88 117.51 121.33 3f1y h ILE 60 Ca 0.16 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.58 3f1y h ILE 60 Cb 0.62 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 3f1y h ILE 60 CO 0.04 0.14 0.47 0.40 0.00 0.00 0.00 178.15 179.19 3f1y h ILE 61 N -0.03 1.09 -0.94 -0.67 2.04 -1.20 -0.05 117.51 117.75 3f1y h ILE 61 Ca 0.03 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.59 3f1y h ILE 61 Cb 0.19 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.33 3f1y h ILE 61 CO -0.00 0.17 0.62 0.44 0.00 0.00 0.00 178.15 179.37 3f1y h ASP 62 N 0.90 1.09 -0.29 1.72 3.32 -1.05 -0.89 116.42 121.23 3f1y h ASP 62 Ca 0.31 -0.03 -0.14 0.00 0.02 0.00 0.00 57.03 57.18 3f1y h ASP 62 Cb 0.05 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 3f1y h ASP 62 CO -0.12 0.79 -0.36 -0.33 -1.72 0.00 0.00 179.24 177.50 3f1y h GLU 63 N 1.28 0.76 -1.01 3.56 4.39 -0.11 -0.92 114.58 122.52 3f1y h GLU 63 Ca 0.34 -0.43 0.02 0.00 0.34 0.00 0.00 59.36 59.64 3f1y h GLU 63 Cb -0.14 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.49 3f1y h GLU 63 CO -0.07 1.05 0.67 0.82 -1.16 0.00 0.00 179.01 180.32 3f1y h ILE 64 N 0.51 1.23 -0.16 3.13 2.04 -0.78 0.12 117.51 123.60 3f1y h ILE 64 Ca 0.04 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 3f1y h ILE 64 Cb 0.95 -0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3f1y h ILE 64 CO 0.09 0.24 0.08 0.45 0.00 0.00 0.00 178.15 179.01 3f1y h HIS 65 N 1.33 0.22 -0.85 1.37 3.86 -0.96 -1.30 115.15 118.83 3f1y h HIS 65 Ca 0.38 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.57 3f1y h HIS 65 Cb -0.10 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.26 3f1y h HIS 65 CO -0.00 0.24 0.48 0.00 0.86 0.00 0.00 177.93 179.51 3f1y h ALA 66 N 0.96 1.09 -0.07 2.45 0.00 -0.58 -2.60 119.26 120.52 3f1y h ALA 66 Ca 0.06 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3f1y h ALA 66 Cb 0.09 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3f1y h ALA 66 CO -0.01 0.58 -0.13 1.25 0.00 0.00 0.00 179.25 180.95 3f1y h LEU 67 N 1.18 -0.39 -2.34 0.00 5.85 -0.51 -1.59 115.31 117.51 3f1y h LEU 67 Ca 0.30 0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.12 3f1y h LEU 67 Cb 0.00 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 3f1y h LEU 67 CO -0.05 -0.18 0.21 0.78 -0.34 0.00 0.00 178.44 178.86 3f1y h ASN 68 N -0.19 0.00 0.15 1.25 2.35 -1.00 -0.34 115.58 117.80 3f1y h ASN 68 Ca 0.07 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3f1y h ASN 68 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3f1y h ASN 68 CO -0.18 0.00 -0.07 -0.33 -1.65 0.00 0.00 177.43 175.20 3f1y h GLU 69 N 0.00 -0.19 -0.05 0.81 4.39 -0.91 -3.20 114.58 115.43 3f1y h GLU 69 Ca 0.04 0.01 -0.20 0.00 0.34 0.00 0.00 59.36 59.56 3f1y h GLU 69 Cb 0.45 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3f1y h GLU 69 CO -0.00 -0.02 -0.81 0.00 -1.16 0.00 0.00 179.01 177.03 3f1y h ARG 70 N -0.33 0.40 -1.20 2.33 3.08 -1.18 -3.44 114.38 114.03 3f1y h ARG 70 Ca -0.02 -0.36 0.02 0.00 0.07 0.00 0.00 59.98 59.69 3f1y h ARG 70 Cb 0.26 0.09 -0.23 0.00 0.08 0.00 0.00 29.97 30.17 3f1y h ARG 70 CO 0.03 1.02 -0.34 0.00 -1.07 0.00 0.00 179.97 179.61 3f1y s ALA 71 N -3.48 -2.02 -0.50 0.04 0.00 -0.26 -4.83 121.76 110.71 3f1y s ALA 71 Ca -0.06 1.48 -0.27 0.00 0.00 0.00 0.00 51.96 53.11 3f1y s ALA 71 Cb 0.10 -2.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 3f1y s ALA 71 CO 0.85 -1.41 1.80 -2.14 0.00 0.00 0.00 175.76 174.85 3f1y s PRO 72 N 2.78 2.94 0.00 0.00 0.02 -1.21 -3.72 135.00 135.81 3f1y s PRO 72 Ca 0.17 0.90 0.00 0.00 0.02 0.00 0.00 61.00 62.09 3f1y s PRO 72 Cb -0.14 -4.29 0.00 0.00 0.02 0.00 0.00 34.50 30.08 3f1y s PRO 72 CO -0.21 -2.35 0.00 1.28 -0.33 0.00 0.00 177.00 175.39 3f1y n LEU 73 N 11.60 0.57 -4.29 -5.54 4.77 -1.26 -4.70 117.00 118.15 3f1y n LEU 73 Ca 0.21 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.85 3f1y n LEU 73 Cb 0.50 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.45 3f1y n LEU 73 CO 0.70 0.09 -0.43 -0.63 -1.33 0.00 0.00 177.39 175.80 3f1y s ILE 74 N -1.84 3.06 -0.06 -0.08 -1.09 -1.26 -4.42 121.20 115.52 3f1y s ILE 74 Ca 0.00 -0.61 0.04 0.00 -2.23 0.00 0.00 60.65 57.85 3f1y s ILE 74 Cb 0.00 -2.35 -0.25 0.00 -1.58 0.00 0.00 42.46 38.28 3f1y s ILE 74 CO 0.00 0.47 0.60 0.44 -1.23 0.00 0.00 174.94 175.22 3f1y h ASP 75 N 7.73 0.18 -3.34 3.58 3.32 -0.86 -3.46 116.42 123.58 3f1y h ASP 75 Ca -0.38 -0.38 -0.42 0.00 0.02 0.00 0.00 57.03 55.86 3f1y h ASP 75 Cb 1.17 -0.06 -0.36 0.00 0.22 0.00 0.00 39.33 40.30 3f1y h ASP 75 CO 0.60 1.34 -0.77 -1.58 -1.72 0.00 0.00 179.24 177.11 3f1y s GLN 76 N -2.59 0.69 -0.31 3.56 0.74 -1.10 -5.03 119.66 115.63 3f1y s GLN 76 Ca -0.11 0.02 -0.09 0.00 0.05 0.00 0.00 55.36 55.24 3f1y s GLN 76 Cb 0.07 -0.91 0.00 0.00 1.10 0.00 0.00 33.01 33.27 3f1y s GLN 76 CO 0.81 -0.22 0.13 0.42 -0.55 0.00 0.00 175.29 175.88 3f1y s ILE 77 N 1.55 4.38 -0.26 -2.34 1.01 -1.26 -0.80 121.20 123.49 3f1y s ILE 77 Ca -0.01 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.12 3f1y s ILE 77 Cb -0.13 -3.25 0.05 0.00 0.01 0.00 0.00 42.46 39.14 3f1y s ILE 77 CO -0.03 0.06 -0.10 -0.22 0.00 0.00 0.00 174.94 174.64 3f1y s LEU 78 N 1.57 3.36 -0.27 2.97 0.20 0.34 -1.01 118.68 125.84 3f1y s LEU 78 Ca 0.04 -1.29 -0.11 0.00 0.69 0.00 0.00 54.13 53.46 3f1y s LEU 78 Cb -0.17 -1.57 -0.05 0.00 -0.43 0.00 0.00 46.19 43.97 3f1y s LEU 78 CO 0.05 -0.18 0.18 -0.69 -0.29 0.00 0.00 176.35 175.42 3f1y s VAL 79 N 1.15 5.31 -0.37 1.68 1.01 0.30 -0.13 120.40 129.35 3f1y s VAL 79 Ca -0.07 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 3f1y s VAL 79 Cb -0.19 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.70 3f1y s VAL 79 CO -0.05 0.28 0.21 -0.69 0.00 0.00 0.00 175.10 174.85 3f1y s VAL 80 N 1.55 4.66 -0.46 2.92 1.01 -0.58 -1.04 120.40 128.47 3f1y s VAL 80 Ca 0.07 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 3f1y s VAL 80 Cb -0.15 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.67 3f1y s VAL 80 CO 0.09 -0.21 1.20 -0.62 0.00 0.00 0.00 175.10 175.56 3f1y s ASP 81 N 1.58 6.56 -1.31 3.32 2.15 0.11 -0.57 116.67 128.50 3f1y s ASP 81 Ca 0.03 0.54 -0.11 0.00 0.43 0.00 0.00 52.55 53.44 3f1y s ASP 81 Cb -0.19 -2.55 0.14 0.00 -0.30 0.00 0.00 42.92 40.02 3f1y s ASP 81 CO 0.07 -1.30 1.91 0.00 -0.17 0.00 0.00 175.17 175.68 3f1y n ALA 82 N 8.09 5.22 -4.20 3.66 0.00 -0.24 -0.83 120.51 132.21 3f1y n ALA 82 Ca 0.13 -4.20 -0.40 0.00 0.00 0.00 0.00 53.44 48.97 3f1y n ALA 82 Cb 0.49 -3.13 -0.03 0.00 0.00 0.00 0.00 19.45 16.77 3f1y n ALA 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3f1y n ASP 83 N 4.66 -1.86 -4.78 0.00 2.03 -1.26 -4.74 116.55 110.60 3f1y n ASP 83 Ca 0.43 -1.30 -0.35 0.00 0.52 0.00 0.00 54.79 54.08 3f1y n ASP 83 Cb 0.38 -1.59 -0.01 0.00 -0.72 0.00 0.00 41.12 39.18 3f1y n ASP 83 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3f1y s SER 84 N -3.91 5.93 0.00 1.67 0.01 -1.26 -4.93 113.70 111.21 3f1y s SER 84 Ca 0.28 2.15 0.16 0.00 1.31 0.00 0.00 55.95 59.85 3f1y s SER 84 Cb -0.16 -2.58 0.22 0.00 0.21 0.00 0.00 66.02 63.71 3f1y s SER 84 CO 0.99 -1.07 1.11 -0.62 0.41 0.00 0.00 173.24 174.05 3f1y n GLU 85 N -1.07 1.68 0.00 12.44 1.02 -1.26 -4.71 120.64 128.74 3f1y n GLU 85 Ca 0.10 -1.70 0.11 0.00 -0.02 0.00 0.00 57.16 55.65 3f1y n GLU 85 Cb 0.51 -1.33 0.05 0.00 -0.02 0.00 0.00 31.44 30.65 3f1y n GLU 85 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3f1y n ASP 86 N 0.91 2.47 0.00 1.62 5.75 -1.26 -4.95 116.55 121.09 3f1y n ASP 86 Ca 0.11 -1.74 0.00 0.00 -0.01 0.00 0.00 54.79 53.16 3f1y n ASP 86 Cb 0.43 0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 3f1y n ASP 86 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3f1y n GLY 87 N 1.28 0.68 0.36 6.12 0.00 -1.26 -4.80 105.19 107.56 3f1y n GLY 87 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.16 3f1y n GLY 87 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3f1y h THR 88 N 0.00 0.02 -0.34 2.61 2.02 -1.91 -0.23 112.91 115.08 3f1y h THR 88 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 3f1y h THR 88 Cb 0.00 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.41 3f1y h THR 88 CO 0.00 0.00 0.18 0.00 0.37 0.00 0.00 175.52 176.07 3f1y h ALA 89 N 1.72 0.42 -0.57 6.16 0.00 -1.94 -0.31 119.26 124.74 3f1y h ALA 89 Ca 0.41 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.22 3f1y h ALA 89 Cb 0.66 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3f1y h ALA 89 CO -0.99 -0.18 -0.06 0.78 0.00 0.00 0.00 179.25 178.80 3f1y h GLY 90 N 0.38 1.13 0.97 0.00 0.00 -1.73 -0.58 103.07 103.24 3f1y h GLY 90 Ca 0.14 -0.88 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 3f1y h GLY 90 CO -0.08 0.80 -0.19 -2.08 0.00 0.00 0.00 176.54 174.99 3f1y h VAL 91 N 0.94 0.62 -0.28 4.60 2.07 -0.87 0.62 116.25 123.95 3f1y h VAL 91 Ca 0.15 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.68 3f1y h VAL 91 Cb 0.63 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 3f1y h VAL 91 CO 0.04 0.01 -0.21 0.00 0.02 0.00 0.00 177.57 177.43 3f1y h ALA 92 N 0.05 -0.04 -0.39 1.67 0.00 -0.98 -2.21 119.26 117.35 3f1y h ALA 92 Ca -0.05 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3f1y h ALA 92 Cb 0.42 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 3f1y h ALA 92 CO 0.09 -0.62 0.04 0.00 0.00 0.00 0.00 179.25 178.76 3f1y h ALA 93 N 0.93 0.40 0.00 0.00 0.00 -1.04 -2.57 119.26 116.98 3f1y h ALA 93 Ca 0.15 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3f1y h ALA 93 Cb 0.43 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3f1y h ALA 93 CO -0.39 -0.36 -0.01 0.66 0.00 0.00 0.00 179.25 179.15 3f1y h SER 94 N 0.16 0.00 0.07 0.00 4.64 -0.50 -1.73 113.55 116.19 3f1y h SER 94 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3f1y h SER 94 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3f1y h SER 94 CO -0.28 0.01 -0.07 1.41 -0.87 0.00 0.00 176.83 177.02 3f1y n HIS 95 N -3.10 0.00 -0.04 4.77 8.25 -0.86 -4.97 115.22 119.27 3f1y n HIS 95 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3f1y n HIS 95 Cb 0.25 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.32 3f1y n HIS 95 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3f1y n GLY 96 N 1.22 0.86 3.84 -1.41 0.00 -0.65 -4.81 105.19 104.25 3f1y n GLY 96 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3f1y n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1y s ALA 97 N -2.02 3.10 -0.09 4.61 0.00 -1.01 -4.99 121.76 121.37 3f1y s ALA 97 Ca 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.83 3f1y s ALA 97 Cb 0.00 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 3f1y s ALA 97 CO 0.00 -0.13 1.23 -1.21 0.00 0.00 0.00 175.76 175.65 3f1y s GLU 98 N -3.86 4.31 -0.06 0.00 2.02 -0.18 -4.39 118.70 116.53 3f1y s GLU 98 Ca 0.58 1.68 0.04 0.00 0.02 0.00 0.00 54.97 57.29 3f1y s GLU 98 Cb -0.10 -3.63 -0.02 0.00 0.10 0.00 0.00 34.13 30.48 3f1y s GLU 98 CO 0.28 -0.54 -0.18 0.08 0.02 0.00 0.00 175.26 174.91 3f1y s VAL 99 N 2.68 2.69 -0.01 2.63 1.01 -1.26 -0.54 120.40 127.60 3f1y s VAL 99 Ca 0.56 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3f1y s VAL 99 Cb -0.24 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 3f1y s VAL 99 CO 0.19 0.58 -0.07 -0.31 0.00 0.00 0.00 175.10 175.49 3f1y s TYR 100 N -0.43 0.66 0.37 5.22 2.02 -0.20 -4.99 117.35 120.00 3f1y s TYR 100 Ca 0.05 -0.13 -0.22 0.00 -0.37 0.00 0.00 57.07 56.39 3f1y s TYR 100 Cb -0.12 -0.45 -0.10 0.00 -0.40 0.00 0.00 41.96 40.89 3f1y s TYR 100 CO 0.02 -0.03 0.92 -1.54 -1.57 0.00 0.00 175.55 173.34 3f1y s SER 101 N -0.03 7.09 0.40 2.29 1.04 -1.26 0.05 113.70 123.29 3f1y s SER 101 Ca 0.01 1.70 0.21 0.00 0.48 0.00 0.00 55.95 58.35 3f1y s SER 101 Cb -0.04 -2.54 0.79 0.00 0.10 0.00 0.00 66.02 64.33 3f1y s SER 101 CO -0.00 -0.22 1.78 1.05 0.98 0.00 0.00 173.24 176.83 3f1y h GLU 102 N 2.50 0.00 -0.78 4.02 4.11 -1.31 -2.49 114.58 120.62 3f1y h GLU 102 Ca -0.48 0.00 0.16 0.00 0.07 0.00 0.00 59.36 59.11 3f1y h GLU 102 Cb 1.18 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 3f1y h GLU 102 CO 0.63 0.31 0.52 -0.91 0.07 0.00 0.00 179.01 179.64 3f1y h ASN 103 N 0.00 0.41 1.37 3.06 4.21 -1.88 -2.88 115.58 119.86 3f1y h ASN 103 Ca -0.00 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.53 3f1y h ASN 103 Cb 0.82 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.96 3f1y h ASN 103 CO 0.04 0.20 -0.33 1.05 -1.29 0.00 0.00 177.43 177.10 3f1y h GLU 104 N 0.43 0.00 -6.32 0.81 4.11 -1.82 -3.41 114.58 108.39 3f1y h GLU 104 Ca 0.39 0.00 -0.56 0.00 0.07 0.00 0.00 59.36 59.26 3f1y h GLU 104 Cb 0.89 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.10 3f1y h GLU 104 CO -0.13 0.00 -0.12 -0.51 0.07 0.00 0.00 179.01 178.32 3f1y s LEU 105 N -5.02 4.30 -1.50 3.06 1.43 -1.09 -4.24 118.68 115.62 3f1y s LEU 105 Ca 0.07 0.99 -0.01 0.00 -1.03 0.00 0.00 54.13 54.15 3f1y s LEU 105 Cb 0.10 -3.32 0.01 0.00 0.03 0.00 0.00 46.19 43.01 3f1y s LEU 105 CO 0.68 0.07 0.18 0.23 0.23 0.00 0.00 176.35 177.74 3f1y n MET 106 N 0.59 -1.85 0.27 1.70 2.81 -1.26 -4.77 117.12 114.61 3f1y n MET 106 Ca -0.04 0.21 0.12 0.00 -1.81 0.00 0.00 57.70 56.18 3f1y n MET 106 Cb 0.52 -3.98 0.77 0.00 -0.71 0.00 0.00 33.22 29.82 3f1y n MET 106 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3f1y h SER 107 N -1.79 0.00 0.03 7.83 4.64 -1.79 0.14 113.55 122.60 3f1y h SER 107 Ca -0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 3f1y h SER 107 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 3f1y h SER 107 CO 0.68 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.30 3f1y n GLY 108 N -1.23 -0.23 0.76 -0.77 0.00 -1.26 -2.53 105.19 99.93 3f1y n GLY 108 Ca -0.03 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.10 3f1y n GLY 108 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3f1y n TYR 109 N -1.13 0.02 -2.84 1.61 4.02 0.49 -5.07 117.16 114.26 3f1y n TYR 109 Ca 0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3f1y n TYR 109 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 3f1y n TYR 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3f1y n GLY 110 N 1.28 -1.68 3.92 2.72 0.00 -1.05 -4.96 105.19 105.42 3f1y n GLY 110 Ca 0.16 -1.53 -0.26 0.00 0.00 0.00 0.00 46.02 44.39 3f1y n GLY 110 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f1y s ASP 111 N -4.00 5.86 -0.23 1.61 1.11 -1.26 -4.84 116.67 114.91 3f1y s ASP 111 Ca 0.00 0.73 -0.41 0.00 0.18 0.00 0.00 52.55 53.05 3f1y s ASP 111 Cb 0.00 -1.88 -0.18 0.00 1.07 0.00 0.00 42.92 41.94 3f1y s ASP 111 CO 0.00 -0.84 1.55 0.00 1.18 0.00 0.00 175.17 177.06 3f1y n ALA 112 N -2.40 -1.08 -2.02 5.23 0.00 -1.26 -4.90 120.51 114.07 3f1y n ALA 112 Ca 0.03 0.47 -0.30 0.00 0.00 0.00 0.00 53.44 53.64 3f1y n ALA 112 Cb 0.57 -2.06 0.03 0.00 0.00 0.00 0.00 19.45 17.98 3f1y n ALA 112 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3f1y n HIS 113 N 4.00 3.09 0.00 0.00 -0.00 -1.26 -5.08 115.22 115.97 3f1y n HIS 113 Ca 0.25 -2.67 0.00 0.00 0.46 0.00 0.00 57.72 55.77 3f1y n HIS 113 Cb 0.09 -0.60 0.00 0.00 -0.12 0.00 0.00 29.99 29.36 3f1y n HIS 113 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3f1y n GLY 114 N -0.65 -3.08 0.16 1.57 0.00 -1.26 -3.89 105.19 98.04 3f1y n GLY 114 Ca 0.47 -2.13 -0.05 0.00 0.00 0.00 0.00 46.02 44.31 3f1y n GLY 114 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3f1y h LYS 115 N 1.21 0.16 -0.63 1.61 3.64 -1.73 -1.54 116.57 119.29 3f1y h LYS 115 Ca 0.00 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3f1y h LYS 115 Cb 0.00 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 3f1y h LYS 115 CO 0.00 0.10 0.36 0.78 -2.27 0.00 0.00 179.45 178.43 3f1y h GLY 116 N 0.16 0.91 1.00 5.01 0.00 0.33 -0.48 103.07 110.00 3f1y h GLY 116 Ca 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 3f1y h GLY 116 CO -0.27 0.19 0.32 -1.80 0.00 0.00 0.00 176.54 174.99 3f1y h ASP 117 N 0.70 0.84 0.29 0.19 1.82 -0.78 0.15 116.42 119.63 3f1y h ASP 117 Ca 0.27 -0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.78 3f1y h ASP 117 Cb 0.10 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 39.89 3f1y h ASP 117 CO -0.14 0.73 -0.19 0.00 -1.61 0.00 0.00 179.24 178.03 3f1y h ALA 118 N 1.15 -0.45 -0.80 -0.78 0.00 -0.65 0.80 119.26 118.53 3f1y h ALA 118 Ca 0.23 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3f1y h ALA 118 Cb 0.10 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3f1y h ALA 118 CO -0.03 -0.76 0.49 0.52 0.00 0.00 0.00 179.25 179.47 3f1y h MET 119 N -0.46 0.88 0.27 0.00 2.86 -0.78 0.05 114.93 117.74 3f1y h MET 119 Ca -0.03 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3f1y h MET 119 Cb 0.39 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.85 3f1y h MET 119 CO 0.02 0.58 -0.13 2.35 1.06 0.00 0.00 176.91 180.79 3f1y h TRP 120 N 0.90 -0.34 -0.48 -0.22 7.01 -0.46 -3.18 115.95 119.19 3f1y h TRP 120 Ca 0.35 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.37 3f1y h TRP 120 Cb 0.16 0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.30 3f1y h TRP 120 CO -0.04 -0.05 0.32 0.00 -2.79 0.00 0.00 178.44 175.87 3f1y h ARG 121 N -0.60 0.54 -1.03 2.65 3.08 -0.55 -1.40 114.38 117.07 3f1y h ARG 121 Ca -0.04 -0.03 0.26 0.00 0.07 0.00 0.00 59.98 60.24 3f1y h ARG 121 Cb 0.43 -0.12 -0.10 0.00 0.08 0.00 0.00 29.97 30.26 3f1y h ARG 121 CO 0.06 0.36 0.65 0.00 -1.07 0.00 0.00 179.97 179.97 3f1y h ALA 122 N 1.72 2.13 -0.34 0.04 0.00 -0.97 -0.52 119.26 121.32 3f1y h ALA 122 Ca 0.19 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.27 3f1y h ALA 122 Cb 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3f1y h ALA 122 CO -0.05 -0.54 0.29 -0.07 0.00 0.00 0.00 179.25 178.88 3f1y h LEU 123 N 0.44 0.00 -1.51 0.00 3.38 -1.33 -0.70 115.31 115.60 3f1y h LEU 123 Ca 0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.57 3f1y h LEU 123 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 3f1y h LEU 123 CO -0.33 0.00 0.00 0.77 0.09 0.00 0.00 178.44 178.97 3f1y h SER 124 N 0.00 0.00 -0.00 -0.43 4.64 -1.26 -3.17 113.55 113.33 3f1y h SER 124 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3f1y h SER 124 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3f1y h SER 124 CO -0.00 0.00 -0.00 1.33 -0.87 0.00 0.00 176.83 177.29 3f1y n VAL 125 N -3.00 0.00 -2.26 0.95 0.24 -0.34 -5.00 118.33 108.92 3f1y n VAL 125 Ca 0.00 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.38 3f1y n VAL 125 Cb 0.28 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.65 3f1y n VAL 125 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3f1y s THR 126 N -0.14 3.83 -0.36 3.34 -4.23 -0.78 -4.93 115.64 112.37 3f1y s THR 126 Ca 0.02 1.18 0.22 0.00 -1.18 0.00 0.00 61.69 61.93 3f1y s THR 126 Cb 0.01 -3.76 -0.19 0.00 1.34 0.00 0.00 72.50 69.90 3f1y s THR 126 CO 0.02 -0.02 0.80 0.54 -0.54 0.00 0.00 174.62 175.42 3f1y n ARG 127 N 5.55 0.46 -1.95 3.99 1.74 -1.26 -5.00 116.66 120.19 3f1y n ARG 127 Ca 0.13 -0.06 -0.34 0.00 -0.77 0.00 0.00 57.85 56.81 3f1y n ARG 127 Cb 0.44 -1.60 0.03 0.00 -1.02 0.00 0.00 32.46 30.32 3f1y n ARG 127 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3f1y s GLY 128 N -4.05 2.41 0.22 -0.13 0.00 -1.26 -4.93 107.32 99.58 3f1y s GLY 128 Ca -0.01 0.73 -0.08 0.00 0.00 0.00 0.00 44.72 45.35 3f1y s GLY 128 CO 0.85 1.09 1.83 -0.55 0.00 0.00 0.00 173.10 176.31 3f1y h ASP 129 N 0.55 1.04 -3.33 1.64 3.32 -1.75 -3.42 116.42 114.47 3f1y h ASP 129 Ca -0.48 -0.11 -0.65 0.00 0.02 0.00 0.00 57.03 55.80 3f1y h ASP 129 Cb 1.26 -0.27 -0.18 0.00 0.22 0.00 0.00 39.33 40.37 3f1y h ASP 129 CO 0.55 0.86 -0.63 -0.76 -1.72 0.00 0.00 179.24 177.53 3f1y s LEU 130 N -9.89 3.47 -0.28 1.55 1.43 -0.08 -0.11 118.68 114.77 3f1y s LEU 130 Ca -0.13 0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 52.90 3f1y s LEU 130 Cb 0.16 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 3f1y s LEU 130 CO 0.82 0.26 0.14 -0.69 0.23 0.00 0.00 176.35 177.11 3f1y s VAL 131 N -0.18 4.72 -0.36 -1.59 1.01 -0.36 -0.42 120.40 123.21 3f1y s VAL 131 Ca 0.05 -0.15 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 3f1y s VAL 131 Cb -0.13 -3.29 0.03 0.00 0.00 0.00 0.00 36.38 33.00 3f1y s VAL 131 CO 0.02 0.22 0.18 -0.22 0.00 0.00 0.00 175.10 175.30 3f1y s LEU 132 N 1.66 4.61 0.29 3.92 2.96 0.77 -2.06 118.68 130.84 3f1y s LEU 132 Ca 0.06 -1.03 -0.19 0.00 -0.22 0.00 0.00 54.13 52.75 3f1y s LEU 132 Cb -0.16 -1.98 -0.09 0.00 0.50 0.00 0.00 46.19 44.46 3f1y s LEU 132 CO 0.07 -0.37 0.78 -0.31 -1.32 0.00 0.00 176.35 175.20 3f1y s TYR 133 N 1.51 3.52 -0.03 5.38 2.02 0.22 -0.02 117.35 129.96 3f1y s TYR 133 Ca 0.01 1.41 -0.04 0.00 -0.37 0.00 0.00 57.07 58.07 3f1y s TYR 133 Cb -0.19 -2.66 0.01 0.00 -0.40 0.00 0.00 41.96 38.72 3f1y s TYR 133 CO 0.06 0.19 0.11 0.42 -1.57 0.00 0.00 175.55 174.75 3f1y s ILE 134 N -1.77 0.03 0.16 2.71 1.01 -0.43 -2.35 121.20 120.55 3f1y s ILE 134 Ca 0.50 -0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.62 3f1y s ILE 134 Cb -0.14 -0.24 -0.07 0.00 0.01 0.00 0.00 42.46 42.03 3f1y s ILE 134 CO 0.19 -0.13 1.03 -1.81 0.00 0.00 0.00 174.94 174.23 3f1y s ASP 135 N -0.39 7.39 0.00 3.58 1.01 -1.26 -4.18 116.67 122.82 3f1y s ASP 135 Ca -0.05 1.96 0.27 0.00 0.71 0.00 0.00 52.55 55.45 3f1y s ASP 135 Cb -0.03 -2.60 0.92 0.00 1.01 0.00 0.00 42.92 42.22 3f1y s ASP 135 CO 0.00 -0.13 1.70 0.00 0.21 0.00 0.00 175.17 176.95 3f1y n ALA 136 N 2.47 2.92 -0.10 5.23 0.00 -1.26 -4.04 120.51 125.73 3f1y n ALA 136 Ca 0.02 -0.24 0.10 0.00 0.00 0.00 0.00 53.44 53.32 3f1y n ALA 136 Cb 0.47 -1.30 0.23 0.00 0.00 0.00 0.00 19.45 18.86 3f1y n ALA 136 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3f1y n ASP 137 N -1.40 3.42 -4.68 0.00 5.75 -1.26 -3.71 116.55 114.66 3f1y n ASP 137 Ca 0.08 -1.96 -0.42 0.00 -0.01 0.00 0.00 54.79 52.47 3f1y n ASP 137 Cb 0.33 -0.33 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 3f1y n ASP 137 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3f1y s THR 138 N -1.11 3.32 0.09 2.12 2.01 -1.26 -4.95 115.64 115.85 3f1y s THR 138 Ca 0.37 0.65 -0.04 0.00 0.31 0.00 0.00 61.69 62.98 3f1y s THR 138 Cb 0.20 -3.42 -0.27 0.00 0.01 0.00 0.00 72.50 69.03 3f1y s THR 138 CO 0.27 -0.02 1.17 0.03 -0.69 0.00 0.00 174.62 175.38 3f1y h ARG 139 N 8.63 0.29 -3.93 4.92 3.08 -1.94 -3.40 114.38 122.03 3f1y h ARG 139 Ca -0.41 -0.45 -0.60 0.00 0.07 0.00 0.00 59.98 58.59 3f1y h ARG 139 Cb 1.19 0.16 -0.40 0.00 0.08 0.00 0.00 29.97 31.01 3f1y h ARG 139 CO 0.93 1.20 -0.76 0.34 -1.07 0.00 0.00 179.97 180.61 3f1y s ASP 140 N -7.13 4.00 -0.47 7.04 2.15 -1.26 -5.05 116.67 115.95 3f1y s ASP 140 Ca -0.04 -1.54 -0.21 0.00 0.43 0.00 0.00 52.55 51.19 3f1y s ASP 140 Cb 0.07 -1.04 0.04 0.00 -0.30 0.00 0.00 42.92 41.69 3f1y s ASP 140 CO 0.88 -0.36 0.67 0.12 -0.17 0.00 0.00 175.17 176.31 3f1y s PHE 141 N 1.47 3.03 0.24 -5.34 5.36 -1.26 -4.98 117.98 116.49 3f1y s PHE 141 Ca 0.05 -0.20 -0.14 0.00 -0.96 0.00 0.00 56.93 55.68 3f1y s PHE 141 Cb -0.18 -3.49 -0.08 0.00 -0.34 0.00 0.00 43.02 38.93 3f1y s PHE 141 CO -0.16 -0.98 0.65 1.03 -1.46 0.00 0.00 175.22 174.29 3f1y s ARG 142 N 2.90 3.99 0.33 10.12 0.52 -1.26 -4.91 118.95 130.63 3f1y s ARG 142 Ca 0.21 0.56 0.10 0.00 -0.52 0.00 0.00 55.73 56.08 3f1y s ARG 142 Cb -0.15 -2.67 0.87 0.00 0.52 0.00 0.00 34.95 33.51 3f1y s ARG 142 CO 0.17 0.31 1.75 -1.35 0.02 0.00 0.00 175.30 176.20 3f1y h PRO 143 N 2.80 0.60 0.00 3.54 0.11 -1.96 -0.49 132.00 136.60 3f1y h PRO 143 Ca -0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3f1y h PRO 143 Cb 1.18 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3f1y h PRO 143 CO 0.66 0.40 -0.01 -0.56 -0.21 0.00 0.00 178.00 178.28 3f1y h GLN 144 N 0.62 0.00 0.00 1.05 -0.00 -1.93 0.77 115.11 115.61 3f1y h GLN 144 Ca 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.26 3f1y h GLN 144 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.63 3f1y h GLN 144 CO -0.41 0.01 0.00 -0.07 -0.00 0.00 0.00 178.83 178.35 3f1y h LEU 145 N 0.00 0.00 0.00 0.06 4.07 -1.42 -0.91 115.31 117.11 3f1y h LEU 145 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 3f1y h LEU 145 Cb 0.18 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.92 3f1y h LEU 145 CO 0.00 0.00 -0.18 0.00 -1.08 0.00 0.00 178.44 177.18 3f1y h ALA 146 N 2.09 0.02 0.00 1.53 0.00 -1.01 -3.44 119.26 118.45 3f1y h ALA 146 Ca 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 3f1y h ALA 146 Cb 0.29 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3f1y h ALA 146 CO 0.00 0.15 -1.56 2.48 0.00 0.00 0.00 179.25 180.32 3f1y n TYR 147 N -4.70 0.67 -0.23 0.00 0.18 -1.13 -4.46 117.16 107.49 3f1y n TYR 147 Ca -0.05 0.21 0.03 0.00 1.88 0.00 0.00 57.90 59.98 3f1y n TYR 147 Cb 0.17 -0.93 0.14 0.00 -0.38 0.00 0.00 39.34 38.34 3f1y n TYR 147 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 3f1y h GLY 148 N 3.87 0.82 2.00 -7.48 0.00 -1.45 0.14 103.07 100.96 3f1y h GLY 148 Ca -0.14 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3f1y h GLY 148 CO 0.02 -0.23 0.00 3.33 0.00 0.00 0.00 176.54 179.67 3f1y n VAL 149 N -5.26 0.67 0.18 4.60 0.24 -1.26 -2.36 118.33 115.13 3f1y n VAL 149 Ca 0.12 -0.06 0.04 0.00 -2.04 0.00 0.00 64.34 62.40 3f1y n VAL 149 Cb 0.42 -0.81 0.32 0.00 -1.47 0.00 0.00 33.84 32.29 3f1y n VAL 149 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3f1y h LEU 150 N 0.00 0.00 -0.27 1.34 3.38 -0.97 -3.36 115.31 115.43 3f1y h LEU 150 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3f1y h LEU 150 Cb 0.57 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 3f1y h LEU 150 CO 0.00 0.42 -0.29 1.23 0.09 0.00 0.00 178.44 179.89 3f1y h GLY 151 N 1.90 -1.54 1.64 0.83 0.00 -1.43 -0.10 103.07 104.37 3f1y h GLY 151 Ca -0.00 0.82 -0.08 0.00 0.00 0.00 0.00 47.33 48.07 3f1y h GLY 151 CO 0.05 -0.44 -0.17 -2.55 0.00 0.00 0.00 176.54 173.43 3f1y h PRO 152 N -0.16 0.43 -0.07 4.80 0.11 -1.79 -1.20 132.00 134.12 3f1y h PRO 152 Ca 0.05 -0.13 -0.09 0.00 0.11 0.00 0.00 66.00 65.93 3f1y h PRO 152 Cb 0.28 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 3f1y h PRO 152 CO -0.34 0.59 -0.37 -0.39 -0.21 0.00 0.00 178.00 177.29 3f1y h VAL 153 N 0.39 1.28 0.00 3.15 -1.51 -1.63 -1.04 116.25 116.90 3f1y h VAL 153 Ca 0.07 -1.36 -0.12 0.00 -1.23 0.00 0.00 66.70 64.06 3f1y h VAL 153 Cb 0.53 1.64 -0.02 0.00 -2.13 0.00 0.00 31.29 31.32 3f1y h VAL 153 CO 0.03 0.40 -0.80 -0.07 -1.23 0.00 0.00 177.57 175.90 3f1y h LEU 154 N 0.13 0.00 0.00 4.19 3.38 -0.68 -3.41 115.31 118.91 3f1y h LEU 154 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3f1y h LEU 154 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3f1y h LEU 154 CO 0.05 0.50 -0.30 -0.62 0.09 0.00 0.00 178.44 178.17 3f1y n GLU 155 N -3.10 3.69 -3.82 1.13 1.02 -0.48 -4.99 120.64 114.08 3f1y n GLU 155 Ca -0.02 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.76 3f1y n GLU 155 Cb 0.76 -0.57 -0.13 0.00 -0.02 0.00 0.00 31.44 31.48 3f1y n GLU 155 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3f1y s VAL 156 N -1.03 3.62 0.03 2.62 1.01 -0.40 -5.04 120.40 121.21 3f1y s VAL 156 Ca 0.00 -0.80 -0.39 0.00 0.00 0.00 0.00 61.98 60.79 3f1y s VAL 156 Cb 0.00 -2.86 -0.19 0.00 0.00 0.00 0.00 36.38 33.32 3f1y s VAL 156 CO 0.00 0.11 1.03 -2.65 0.00 0.00 0.00 175.10 173.60 3f1y n PRO 157 N 4.80 0.08 0.00 2.72 -0.02 -1.26 -2.05 135.00 139.27 3f1y n PRO 157 Ca -0.15 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 3f1y n PRO 157 Cb 0.48 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 3f1y n PRO 157 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f1y n GLY 158 N 1.61 2.80 3.68 -1.23 0.00 -1.26 -4.98 105.19 105.81 3f1y n GLY 158 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3f1y n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1y s VAL 159 N -1.98 4.62 0.00 1.61 1.01 -0.87 -4.34 120.40 120.46 3f1y s VAL 159 Ca 0.00 1.91 0.00 0.00 0.00 0.00 0.00 61.98 63.89 3f1y s VAL 159 Cb 0.00 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.15 3f1y s VAL 159 CO 0.00 -0.03 0.00 0.54 0.00 0.00 0.00 175.10 175.61 3f1y n ARG 160 N 5.28 0.22 -3.81 2.72 1.74 0.76 -4.55 116.66 119.01 3f1y n ARG 160 Ca 0.10 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.04 3f1y n ARG 160 Cb 0.48 -0.98 -0.15 0.00 -1.02 0.00 0.00 32.46 30.78 3f1y n ARG 160 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3f1y s PHE 161 N -1.94 0.00 -0.04 -1.55 2.19 -0.99 -3.87 117.98 111.78 3f1y s PHE 161 Ca 0.00 0.10 0.00 0.00 0.33 0.00 0.00 56.93 57.37 3f1y s PHE 161 Cb 0.00 -0.13 0.03 0.00 -1.31 0.00 0.00 43.02 41.60 3f1y s PHE 161 CO 0.00 -0.06 -0.00 0.08 1.83 0.00 0.00 175.22 177.07 3f1y s VAL 162 N 0.64 0.26 0.10 3.12 1.01 -0.50 -1.42 120.40 123.61 3f1y s VAL 162 Ca -0.05 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.04 3f1y s VAL 162 Cb -0.08 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 3f1y s VAL 162 CO -0.02 0.18 0.03 -0.75 0.00 0.00 0.00 175.10 174.54 3f1y s LYS 163 N 1.21 2.67 0.53 2.72 2.47 -0.52 -1.45 119.74 127.37 3f1y s LYS 163 Ca -0.07 -0.81 -0.19 0.00 -1.56 0.00 0.00 55.97 53.34 3f1y s LYS 163 Cb -0.13 -2.60 -0.06 0.00 -1.46 0.00 0.00 37.83 33.57 3f1y s LYS 163 CO -0.02 0.54 1.08 0.00 0.16 0.00 0.00 175.35 177.11 3f1y s ALA 164 N -1.39 2.77 0.08 3.13 0.00 -0.81 -1.47 121.76 124.08 3f1y s ALA 164 Ca 0.27 0.66 0.06 0.00 0.00 0.00 0.00 51.96 52.95 3f1y s ALA 164 Cb -0.12 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 3f1y s ALA 164 CO 0.20 -0.60 -0.16 0.00 0.00 0.00 0.00 175.76 175.21 3f1y s ALA 165 N -1.98 1.32 0.14 0.00 0.00 -0.31 -4.29 121.76 116.65 3f1y s ALA 165 Ca 0.69 -1.05 -0.25 0.00 0.00 0.00 0.00 51.96 51.36 3f1y s ALA 165 Cb -0.19 -0.14 0.08 0.00 0.00 0.00 0.00 23.12 22.86 3f1y s ALA 165 CO 0.26 0.22 1.04 1.52 0.00 0.00 0.00 175.76 178.79 3f1y s TYR 166 N -1.22 -0.05 0.07 0.00 -0.85 -1.26 -0.44 117.35 113.60 3f1y s TYR 166 Ca 0.00 -0.26 0.06 0.00 -0.52 0.00 0.00 57.07 56.34 3f1y s TYR 166 Cb -0.10 0.65 -0.03 0.00 0.38 0.00 0.00 41.96 42.86 3f1y s TYR 166 CO 0.03 -0.78 -0.15 -0.98 -1.52 0.00 0.00 175.55 172.15 3f1y s ARG 167 N -2.77 0.90 0.75 -3.49 1.70 0.26 -4.87 118.95 111.45 3f1y s ARG 167 Ca 0.16 -0.94 -0.11 0.00 -0.47 0.00 0.00 55.73 54.37 3f1y s ARG 167 Cb -0.01 -0.95 0.04 0.00 -0.57 0.00 0.00 34.95 33.46 3f1y s ARG 167 CO 0.02 0.22 1.08 -0.98 -1.08 0.00 0.00 175.30 174.56 3f1y s ARG 168 N -1.60 2.46 -0.64 3.89 1.70 -1.24 0.06 118.95 123.58 3f1y s ARG 168 Ca 0.00 0.84 -0.26 0.00 -0.47 0.00 0.00 55.73 55.84 3f1y s ARG 168 Cb -0.09 -1.95 -0.05 0.00 -0.57 0.00 0.00 34.95 32.29 3f1y s ARG 168 CO 0.02 -1.41 2.05 -2.14 -1.08 0.00 0.00 175.30 172.75 3f1y s PRO 169 N -5.07 2.40 -0.30 3.89 0.02 -1.26 -4.81 135.00 129.87 3f1y s PRO 169 Ca 0.60 0.65 -0.13 0.00 0.02 0.00 0.00 61.00 62.13 3f1y s PRO 169 Cb -0.15 -4.58 0.18 0.00 0.02 0.00 0.00 34.50 29.98 3f1y s PRO 169 CO 0.55 -3.11 1.09 -2.00 -0.33 0.00 0.00 177.00 173.20 3f1y s GLU 177 N 7.48 0.13 -0.36 5.54 2.56 -1.26 -5.16 118.70 127.63 3f1y s GLU 177 Ca 0.77 0.17 0.00 0.00 0.00 0.00 0.00 54.97 55.91 3f1y s GLU 177 Cb -0.13 0.09 0.14 0.00 2.00 0.00 0.00 34.13 36.23 3f1y s GLU 177 CO 0.18 -0.19 0.22 -1.21 -0.56 0.00 0.00 175.26 173.70 3f1y s GLU 178 N 2.97 0.62 -0.39 4.30 2.02 -1.26 -5.11 118.70 121.84 3f1y s GLU 178 Ca 0.14 -1.43 -0.22 0.00 0.02 0.00 0.00 54.97 53.48 3f1y s GLU 178 Cb -0.05 -1.37 0.01 0.00 0.10 0.00 0.00 34.13 32.82 3f1y s GLU 178 CO -0.17 -1.22 0.75 0.34 0.02 0.00 0.00 175.26 174.97 3f1y s ASP 179 N 0.95 6.47 -0.11 -0.19 2.15 -1.26 -4.89 116.67 119.79 3f1y s ASP 179 Ca 0.19 0.13 0.17 0.00 0.43 0.00 0.00 52.55 53.47 3f1y s ASP 179 Cb -0.21 -2.37 0.67 0.00 -0.30 0.00 0.00 42.92 40.71 3f1y s ASP 179 CO -0.01 -0.76 1.57 0.61 -0.17 0.00 0.00 175.17 176.41 3f1y n GLY 180 N 4.73 2.51 0.01 2.66 0.00 -1.26 -4.94 105.19 108.90 3f1y n GLY 180 Ca 0.02 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3f1y n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1y n GLY 181 N 1.08 -3.14 1.98 -0.02 0.00 -1.26 -4.38 105.19 99.46 3f1y n GLY 181 Ca 0.24 -2.09 -0.16 0.00 0.00 0.00 0.00 46.02 44.01 3f1y n GLY 181 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f1y n GLY 182 N -0.00 -2.29 0.27 -0.02 0.00 -1.26 -4.70 105.19 97.18 3f1y n GLY 182 Ca 0.00 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 3f1y n GLY 182 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3f1y h ARG 183 N 0.00 0.94 -0.62 1.61 3.08 -1.98 -0.79 114.38 116.62 3f1y h ARG 183 Ca -0.23 -0.50 -0.09 0.00 0.07 0.00 0.00 59.98 59.22 3f1y h ARG 183 Cb 0.68 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 3f1y h ARG 183 CO 0.15 1.16 0.02 0.28 -1.07 0.00 0.00 179.97 180.52 3f1y h VAL 184 N 0.76 1.26 -0.11 2.04 2.07 -1.94 -1.07 116.25 119.27 3f1y h VAL 184 Ca 0.06 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.45 3f1y h VAL 184 Cb 1.00 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3f1y h VAL 184 CO 0.10 0.41 0.07 0.74 0.02 0.00 0.00 177.57 178.91 3f1y h THR 185 N 0.98 1.03 -0.31 2.57 2.02 -1.88 -0.77 112.91 116.56 3f1y h THR 185 Ca 0.18 -0.07 -0.17 0.00 0.77 0.00 0.00 66.41 67.12 3f1y h THR 185 Cb 0.53 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3f1y h THR 185 CO 0.03 0.03 -0.47 -0.33 0.37 0.00 0.00 175.52 175.15 3f1y h GLU 186 N 0.14 0.86 -0.00 6.66 4.39 -1.00 0.78 114.58 126.41 3f1y h GLU 186 Ca 0.04 -0.52 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3f1y h GLU 186 Cb -0.01 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3f1y h GLU 186 CO -0.01 1.15 -0.67 1.28 -1.16 0.00 0.00 179.01 179.61 3f1y n LEU 187 N -4.07 0.71 0.08 1.33 4.77 -0.42 -4.29 117.00 115.11 3f1y n LEU 187 Ca -0.04 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 3f1y n LEU 187 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 3f1y n LEU 187 CO 0.49 0.17 0.00 0.41 -1.33 0.00 0.00 177.39 177.13 3f1y n THR 188 N -1.30 0.87 0.21 -5.08 -1.04 -0.38 -4.75 114.28 102.81 3f1y n THR 188 Ca 0.03 0.29 -0.13 0.00 -2.04 0.00 0.00 64.05 62.19 3f1y n THR 188 Cb 0.23 -1.27 -0.08 0.00 -1.82 0.00 0.00 70.33 67.39 3f1y n THR 188 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3f1y h ALA 189 N 0.00 -0.54 -0.54 2.41 0.00 -1.26 -2.24 119.26 117.10 3f1y h ALA 189 Ca 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.75 3f1y h ALA 189 Cb 0.00 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3f1y h ALA 189 CO 0.00 -0.64 0.32 0.87 0.00 0.00 0.00 179.25 179.80 3f1y h LYS 190 N -0.88 0.62 -0.40 0.00 1.57 -1.06 0.14 116.57 116.55 3f1y h LYS 190 Ca -0.06 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3f1y h LYS 190 Cb 0.55 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 3f1y h LYS 190 CO 0.09 0.41 0.20 -1.35 -0.57 0.00 0.00 179.45 178.23 3f1y h PRO 191 N 0.63 0.40 -0.48 3.15 0.11 -1.74 -0.65 132.00 133.42 3f1y h PRO 191 Ca 0.22 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.22 3f1y h PRO 191 Cb 0.03 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 3f1y h PRO 191 CO -0.10 0.26 -0.03 -0.07 -0.21 0.00 0.00 178.00 177.85 3f1y h LEU 192 N 0.41 0.79 -0.25 2.35 3.38 -1.08 -2.38 115.31 118.53 3f1y h LEU 192 Ca 0.17 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3f1y h LEU 192 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3f1y h LEU 192 CO -0.12 0.87 -0.16 -0.26 0.09 0.00 0.00 178.44 178.86 3f1y h PHE 193 N 0.75 0.65 -0.73 1.13 0.04 -0.48 0.77 116.94 119.07 3f1y h PHE 193 Ca 0.14 -0.17 0.11 0.00 2.80 0.00 0.00 57.97 60.85 3f1y h PHE 193 Cb 0.50 -0.14 -0.08 0.00 2.20 0.00 0.00 35.95 38.43 3f1y h PHE 193 CO 0.03 0.84 0.35 -0.91 -0.60 0.00 0.00 178.31 178.01 3f1y h ASN 194 N 0.27 0.43 0.19 2.17 2.35 -0.99 0.17 115.58 120.17 3f1y h ASN 194 Ca 0.05 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3f1y h ASN 194 Cb 0.69 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.07 3f1y h ASN 194 CO 0.05 0.22 -0.09 0.25 -1.65 0.00 0.00 177.43 176.21 3f1y h LEU 195 N 0.57 -0.22 0.00 1.61 6.46 -1.26 -3.36 115.31 119.11 3f1y h LEU 195 Ca 0.37 -0.31 -0.33 0.00 -0.12 0.00 0.00 57.88 57.50 3f1y h LEU 195 Cb 0.45 0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.37 3f1y h LEU 195 CO -0.31 0.28 -2.33 0.49 -0.62 0.00 0.00 178.44 175.95 3f1y n PHE 196 N -4.98 0.02 -3.17 1.25 3.72 0.25 -4.65 117.46 109.91 3f1y n PHE 196 Ca -0.08 0.01 -0.21 0.00 -0.05 0.00 0.00 57.45 57.11 3f1y n PHE 196 Cb 0.26 -0.95 -0.04 0.00 -0.94 0.00 0.00 39.48 37.81 3f1y n PHE 196 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3f1y n TYR 197 N -2.70 0.91 -0.09 1.38 4.01 0.49 -4.95 117.16 116.20 3f1y n TYR 197 Ca -0.29 -3.81 0.26 0.00 -0.16 0.00 0.00 57.90 53.89 3f1y n TYR 197 Cb 1.09 -0.42 0.72 0.00 -0.31 0.00 0.00 39.34 40.41 3f1y n TYR 197 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3f1y h PRO 198 N 3.31 0.00 0.00 -0.72 0.13 -1.42 0.32 132.00 133.62 3f1y h PRO 198 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3f1y h PRO 198 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3f1y h PRO 198 CO 0.56 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.26 3f1y h GLU 199 N 0.00 0.00 -0.01 0.86 5.08 -1.93 -2.30 114.58 116.28 3f1y h GLU 199 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3f1y h GLU 199 Cb 1.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.78 3f1y h GLU 199 CO -0.00 0.00 -0.27 1.28 -1.00 0.00 0.00 179.01 179.01 3f1y n LEU 200 N -2.69 1.70 0.28 1.33 4.77 0.11 -4.44 117.00 118.05 3f1y n LEU 200 Ca -0.02 -0.56 0.16 0.00 -0.03 0.00 0.00 56.01 55.56 3f1y n LEU 200 Cb 0.09 -0.05 0.74 0.00 -2.33 0.00 0.00 43.42 41.88 3f1y n LEU 200 CO 0.17 0.31 0.99 0.00 -1.33 0.00 0.00 177.39 177.52 3f1y h ALA 201 N 3.97 1.06 0.00 -1.18 0.00 -1.54 -2.64 119.26 118.94 3f1y h ALA 201 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3f1y h ALA 201 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3f1y h ALA 201 CO 0.00 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.74 3f1y n GLY 202 N -0.27 -1.22 3.70 0.00 0.00 -1.26 -4.81 105.19 101.33 3f1y n GLY 202 Ca -0.01 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3f1y n GLY 202 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f1y s PHE 203 N -2.78 3.51 0.07 1.61 0.08 -1.00 -4.94 117.98 114.54 3f1y s PHE 203 Ca 0.18 1.54 -0.17 0.00 0.12 0.00 0.00 56.93 58.59 3f1y s PHE 203 Cb 0.16 -3.23 -0.10 0.00 -0.57 0.00 0.00 43.02 39.28 3f1y s PHE 203 CO 0.41 -0.45 1.41 0.28 -0.10 0.00 0.00 175.22 176.77 3f1y h VAL 204 N 4.88 1.31 -2.54 -0.44 2.07 -1.89 -3.37 116.25 116.28 3f1y h VAL 204 Ca -0.37 -1.32 -0.60 0.00 0.82 0.00 0.00 66.70 65.23 3f1y h VAL 204 Cb 1.19 1.66 -0.41 0.00 -1.52 0.00 0.00 31.29 32.20 3f1y h VAL 204 CO 0.81 0.41 -0.69 0.00 0.02 0.00 0.00 177.57 178.12 3f1y n GLN 205 N -4.43 1.78 0.28 1.57 1.13 -1.26 -4.45 117.38 112.01 3f1y n GLN 205 Ca -0.05 -4.27 0.14 0.00 -1.94 0.00 0.00 57.00 50.89 3f1y n GLN 205 Cb 0.39 -2.08 0.85 0.00 0.11 0.00 0.00 30.24 29.51 3f1y n GLN 205 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 3f1y h PRO 206 N 4.79 0.00 -0.64 -1.09 0.13 -1.88 -1.64 132.00 131.68 3f1y h PRO 206 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3f1y h PRO 206 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3f1y h PRO 206 CO 0.69 0.05 0.00 1.28 -0.23 0.00 0.00 178.00 179.79 3f1y n LEU 207 N -3.77 4.18 -4.77 1.56 4.77 -1.26 -4.81 117.00 112.89 3f1y n LEU 207 Ca -0.03 -2.11 -0.40 0.00 -0.03 0.00 0.00 56.01 53.45 3f1y n LEU 207 Cb 0.14 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 3f1y n LEU 207 CO 0.28 0.71 1.06 0.00 -1.33 0.00 0.00 177.39 178.12 3f1y s ALA 208 N -1.80 3.38 -0.67 -1.18 0.00 -0.62 -4.92 121.76 115.95 3f1y s ALA 208 Ca 0.44 1.43 0.26 0.00 0.00 0.00 0.00 51.96 54.09 3f1y s ALA 208 Cb 0.28 -3.56 0.76 0.00 0.00 0.00 0.00 23.12 20.60 3f1y s ALA 208 CO 0.21 -1.01 1.75 0.78 0.00 0.00 0.00 175.76 177.49 3f1y h GLY 209 N 2.73 0.00 -6.24 0.00 0.00 -1.94 -3.43 103.07 94.19 3f1y h GLY 209 Ca -0.50 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.22 3f1y h GLY 209 CO 0.63 0.00 0.27 -0.54 0.00 0.00 0.00 176.54 176.90 3f1y s GLU 210 N -3.13 4.11 0.08 4.80 8.01 -1.26 -3.48 118.70 127.83 3f1y s GLU 210 Ca 0.10 0.66 -0.26 0.00 0.01 0.00 0.00 54.97 55.48 3f1y s GLU 210 Cb 0.11 -3.66 0.08 0.00 -4.31 0.00 0.00 34.13 26.35 3f1y s GLU 210 CO 0.60 -0.47 0.67 -0.59 0.01 0.00 0.00 175.26 175.48 3f1y s PHE 211 N 2.64 -0.53 0.07 1.61 -0.71 -0.99 -1.91 117.98 118.16 3f1y s PHE 211 Ca 0.29 0.47 0.03 0.00 -1.04 0.00 0.00 56.93 56.68 3f1y s PHE 211 Cb -0.15 0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 42.15 3f1y s PHE 211 CO 0.09 -0.74 -0.09 0.54 -1.34 0.00 0.00 175.22 173.67 3f1y s VAL 212 N -3.08 0.76 0.31 -2.49 0.11 -0.53 -0.61 120.40 114.88 3f1y s VAL 212 Ca -0.01 -1.37 -0.16 0.00 -2.93 0.00 0.00 61.98 57.51 3f1y s VAL 212 Cb -0.01 -1.02 0.02 0.00 -1.53 0.00 0.00 36.38 33.85 3f1y s VAL 212 CO -0.08 -0.47 0.67 0.00 -3.33 0.00 0.00 175.10 171.89 3f1y s ALA 213 N -1.93 -0.67 0.43 1.54 0.00 -0.88 -1.40 121.76 118.85 3f1y s ALA 213 Ca -0.02 -0.68 -0.26 0.00 0.00 0.00 0.00 51.96 51.00 3f1y s ALA 213 Cb -0.06 0.87 -0.09 0.00 0.00 0.00 0.00 23.12 23.84 3f1y s ALA 213 CO -0.00 -0.96 1.43 0.16 0.00 0.00 0.00 175.76 176.39 3f1y s ASP 214 N -3.02 6.02 0.29 0.00 -4.77 -1.25 -1.22 116.67 112.72 3f1y s ASP 214 Ca 0.17 2.92 -0.01 0.00 -3.30 0.00 0.00 52.55 52.33 3f1y s ASP 214 Cb -0.04 -2.66 0.47 0.00 -1.09 0.00 0.00 42.92 39.61 3f1y s ASP 214 CO 0.10 -1.08 1.93 -0.09 0.70 0.00 0.00 175.17 176.73 3f1y h ARG 215 N 2.51 1.07 -0.50 2.11 1.12 -0.77 -1.30 114.38 118.62 3f1y h ARG 215 Ca -0.51 -0.06 0.10 0.00 -1.11 0.00 0.00 59.98 58.40 3f1y h ARG 215 Cb 1.26 -0.24 -0.03 0.00 -0.01 0.00 0.00 29.97 30.95 3f1y h ARG 215 CO 0.62 0.71 0.34 0.93 -3.11 0.00 0.00 179.97 179.45 3f1y h GLU 216 N 1.10 0.22 0.16 0.20 4.39 -1.90 -0.91 114.58 117.83 3f1y h GLU 216 Ca 0.37 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.05 3f1y h GLU 216 Cb 0.07 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3f1y h GLU 216 CO -0.12 0.14 -0.08 1.25 -1.16 0.00 0.00 179.01 179.05 3f1y h LEU 217 N 0.22 -0.18 -1.28 1.33 5.85 -1.60 -2.92 115.31 116.73 3f1y h LEU 217 Ca 0.23 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3f1y h LEU 217 Cb 0.62 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 3f1y h LEU 217 CO -0.04 0.25 0.38 -0.26 -0.34 0.00 0.00 178.44 178.43 3f1y h PHE 218 N -0.65 0.84 0.00 1.25 0.04 -1.30 -1.56 116.94 115.55 3f1y h PHE 218 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 3f1y h PHE 218 Cb 0.48 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.36 3f1y h PHE 218 CO 0.06 0.57 0.00 0.00 -0.60 0.00 0.00 178.31 178.33 3f1y n SER 220 N -1.83 2.63 -4.36 0.00 3.41 -0.59 -1.81 113.62 111.07 3f1y n SER 220 Ca 0.02 -1.78 -0.26 0.00 -0.26 0.00 0.00 58.87 56.59 3f1y n SER 220 Cb 0.16 -0.14 -0.12 0.00 -0.26 0.00 0.00 64.21 63.85 3f1y n SER 220 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3f1y s ILE 221 N -1.07 2.08 0.73 -1.33 -4.36 -1.17 -4.80 121.20 111.28 3f1y s ILE 221 Ca 0.22 -1.81 -0.11 0.00 -0.26 0.00 0.00 60.65 58.70 3f1y s ILE 221 Cb 0.13 -1.90 0.03 0.00 1.25 0.00 0.00 42.46 41.97 3f1y s ILE 221 CO 0.18 -0.07 1.07 -2.16 0.24 0.00 0.00 174.94 174.20 3f1y s PRO 222 N -2.31 2.61 -0.12 0.37 0.04 -1.26 -3.90 135.00 130.42 3f1y s PRO 222 Ca 0.14 0.97 0.02 0.00 0.04 0.00 0.00 61.00 62.17 3f1y s PRO 222 Cb -0.09 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.51 3f1y s PRO 222 CO 0.07 -1.34 -0.18 -0.06 0.04 0.00 0.00 177.00 175.53 3f1y s PHE 223 N -3.02 2.25 0.42 0.56 0.40 -0.69 -4.86 117.98 113.05 3f1y s PHE 223 Ca 0.59 -1.10 -0.24 0.00 -0.60 0.00 0.00 56.93 55.58 3f1y s PHE 223 Cb -0.15 -1.58 -0.08 0.00 0.51 0.00 0.00 43.02 41.72 3f1y s PHE 223 CO 0.55 -0.54 1.17 -0.51 0.70 0.00 0.00 175.22 176.60 3f1y s LEU 224 N 0.94 4.13 -0.00 -0.37 1.43 -1.26 -0.50 118.68 123.04 3f1y s LEU 224 Ca -0.06 2.34 0.11 0.00 -1.03 0.00 0.00 54.13 55.48 3f1y s LEU 224 Cb -0.15 -4.10 -0.23 0.00 0.03 0.00 0.00 46.19 41.75 3f1y s LEU 224 CO -0.02 -0.76 0.82 0.71 0.23 0.00 0.00 176.35 177.33 3f1y h THR 225 N 2.17 1.06 0.00 5.49 1.35 -1.51 -3.37 112.91 118.10 3f1y h THR 225 Ca -0.49 -2.88 0.00 0.00 -0.55 0.00 0.00 66.41 62.49 3f1y h THR 225 Cb 1.24 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 70.19 3f1y h THR 225 CO 0.62 0.61 0.00 0.61 -0.25 0.00 0.00 175.52 177.11 3f1y n GLY 226 N 1.50 1.28 0.22 5.82 0.00 -1.25 0.76 105.19 113.51 3f1y n GLY 226 Ca -0.13 -1.00 0.05 0.00 0.00 0.00 0.00 46.02 44.95 3f1y n GLY 226 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3f1y h TYR 227 N 0.00 0.00 0.00 1.61 5.03 -1.92 -2.85 116.97 118.84 3f1y h TYR 227 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 3f1y h TYR 227 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.28 3f1y h TYR 227 CO 0.00 0.24 0.00 0.00 -1.32 0.00 0.00 178.16 177.08 3f1y n ALA 228 N -2.46 1.62 -0.23 1.82 0.00 -1.26 -3.91 120.51 116.09 3f1y n ALA 228 Ca -0.02 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.41 3f1y n ALA 228 Cb 0.30 -1.15 0.16 0.00 0.00 0.00 0.00 19.45 18.76 3f1y n ALA 228 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3f1y h VAL 229 N 0.00 0.62 -0.45 0.00 3.04 -1.66 -1.50 116.25 116.30 3f1y h VAL 229 Ca 0.00 -0.12 -0.11 0.00 -1.01 0.00 0.00 66.70 65.46 3f1y h VAL 229 Cb 0.08 0.25 -0.02 0.00 -2.01 0.00 0.00 31.29 29.59 3f1y h VAL 229 CO 0.00 0.06 -0.17 -0.33 -1.01 0.00 0.00 177.57 176.12 3f1y h GLU 230 N 0.34 0.87 -0.45 4.17 4.39 -1.88 -1.52 114.58 120.51 3f1y h GLU 230 Ca 0.38 -0.34 0.03 0.00 0.34 0.00 0.00 59.36 59.77 3f1y h GLU 230 Cb 0.59 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 3f1y h GLU 230 CO -0.43 0.98 0.24 1.15 -1.16 0.00 0.00 179.01 179.80 3f1y h THR 231 N 0.77 1.00 -0.35 1.13 2.02 -1.71 -0.73 112.91 115.04 3f1y h THR 231 Ca 0.11 -0.17 -0.13 0.00 0.77 0.00 0.00 66.41 67.00 3f1y h THR 231 Cb 0.71 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 3f1y h THR 231 CO 0.05 0.09 -0.30 1.23 0.37 0.00 0.00 175.52 176.96 3f1y h GLY 232 N 0.49 0.81 0.87 2.16 0.00 -1.04 -2.60 103.07 103.75 3f1y h GLY 232 Ca 0.19 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 3f1y h GLY 232 CO -0.11 0.67 0.06 -2.22 0.00 0.00 0.00 176.54 174.94 3f1y h ILE 233 N 0.63 1.21 -0.17 2.60 2.04 -1.03 -1.11 117.51 121.68 3f1y h ILE 233 Ca 0.07 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.29 3f1y h ILE 233 Cb 0.83 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 38.06 3f1y h ILE 233 CO 0.07 0.22 -0.21 0.24 0.00 0.00 0.00 178.15 178.47 3f1y h MET 234 N 0.21 -0.24 -0.26 2.37 2.86 -1.07 0.29 114.93 119.09 3f1y h MET 234 Ca 0.08 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3f1y h MET 234 Cb 0.28 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3f1y h MET 234 CO 0.00 -0.16 0.15 0.82 1.06 0.00 0.00 176.91 178.78 3f1y h ILE 235 N -0.25 1.11 -0.25 -1.22 2.04 -1.42 -1.95 117.51 115.57 3f1y h ILE 235 Ca 0.11 -0.28 -0.17 0.00 1.00 0.00 0.00 64.86 65.52 3f1y h ILE 235 Cb 0.42 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3f1y h ILE 235 CO -0.31 0.11 -0.52 0.44 0.00 0.00 0.00 178.15 177.87 3f1y h ASP 236 N 0.32 0.80 -0.51 1.72 3.32 -0.92 -2.11 116.42 119.04 3f1y h ASP 236 Ca 0.09 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 56.69 3f1y h ASP 236 Cb 0.04 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 3f1y h ASP 236 CO -0.02 1.17 0.15 0.58 -1.72 0.00 0.00 179.24 179.40 3f1y h VAL 237 N 0.56 1.23 -0.24 -1.35 2.07 -0.41 -1.81 116.25 116.30 3f1y h VAL 237 Ca 0.02 -0.80 0.06 0.00 0.82 0.00 0.00 66.70 66.80 3f1y h VAL 237 Cb 1.09 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.58 3f1y h VAL 237 CO 0.11 0.29 -0.23 0.25 0.02 0.00 0.00 177.57 178.01 3f1y h LEU 238 N 0.69 -0.73 -1.48 2.57 5.85 -1.19 0.14 115.31 121.16 3f1y h LEU 238 Ca 0.16 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 3f1y h LEU 238 Cb 0.29 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 3f1y h LEU 238 CO -0.00 -0.27 0.02 0.11 -0.34 0.00 0.00 178.44 177.96 3f1y h LYS 239 N -0.23 0.36 0.00 1.25 1.57 -1.32 -0.92 116.57 117.28 3f1y h LYS 239 Ca 0.14 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3f1y h LYS 239 Cb 0.44 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3f1y h LYS 239 CO -0.38 0.37 -0.00 -0.22 -0.57 0.00 0.00 179.45 178.65 3f1y h LYS 240 N 0.35 -0.00 0.00 3.15 1.63 -0.37 -3.41 116.57 117.92 3f1y h LYS 240 Ca 0.08 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 3f1y h LYS 240 Cb 0.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 3f1y h LYS 240 CO 0.00 0.84 -1.85 1.33 -3.45 0.00 0.00 179.45 176.32 3f1y n VAL 241 N -4.64 0.00 0.00 2.00 0.24 0.38 -5.10 118.33 111.21 3f1y n VAL 241 Ca -0.08 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 3f1y n VAL 241 Cb 0.40 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 3f1y n VAL 241 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3f1y n GLY 242 N 1.42 -0.26 0.33 7.63 0.00 -0.35 -4.40 105.19 109.55 3f1y n GLY 242 Ca -0.03 -1.54 0.03 0.00 0.00 0.00 0.00 46.02 44.47 3f1y n GLY 242 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3f1y h LEU 243 N 0.00 0.83 -2.19 0.99 5.85 -1.92 -2.08 115.31 116.79 3f1y h LEU 243 Ca 0.00 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.80 3f1y h LEU 243 Cb 0.00 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3f1y h LEU 243 CO 0.00 0.49 0.27 1.23 -0.34 0.00 0.00 178.44 180.09 3f1y h GLY 244 N 0.94 0.00 -1.75 3.75 0.00 -1.97 -0.57 103.07 103.47 3f1y h GLY 244 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 3f1y h GLY 244 CO -0.22 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.32 3f1y n ALA 245 N -2.20 2.47 -2.89 3.60 0.00 -0.78 -4.70 120.51 116.01 3f1y n ALA 245 Ca 0.02 -0.72 -0.33 0.00 0.00 0.00 0.00 53.44 52.41 3f1y n ALA 245 Cb 0.38 -0.89 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 3f1y n ALA 245 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3f1y s MET 246 N -1.86 3.40 0.23 0.00 1.00 -0.22 -0.17 119.30 121.67 3f1y s MET 246 Ca 0.32 -0.36 -0.04 0.00 0.00 0.00 0.00 55.69 55.61 3f1y s MET 246 Cb 0.21 -3.06 -0.03 0.00 0.00 0.00 0.00 34.83 31.95 3f1y s MET 246 CO 0.31 0.66 0.26 0.00 0.00 0.00 0.00 175.02 176.24 3f1y s ALA 247 N -1.35 0.77 0.00 3.03 0.00 -0.50 -4.88 121.76 118.83 3f1y s ALA 247 Ca 0.28 -1.47 -0.04 0.00 0.00 0.00 0.00 51.96 50.74 3f1y s ALA 247 Cb -0.13 1.29 -0.01 0.00 0.00 0.00 0.00 23.12 24.28 3f1y s ALA 247 CO 0.20 -0.68 0.06 1.14 0.00 0.00 0.00 175.76 176.48 3f1y s GLN 248 N -4.03 0.34 -0.11 0.00 -2.07 -0.52 -1.44 119.66 111.83 3f1y s GLN 248 Ca 0.34 -0.39 0.02 0.00 -1.82 0.00 0.00 55.36 53.51 3f1y s GLN 248 Cb 0.04 0.14 0.01 0.00 -1.09 0.00 0.00 33.01 32.11 3f1y s GLN 248 CO 0.12 -0.07 -0.17 0.08 -1.32 0.00 0.00 175.29 173.93 3f1y s VAL 249 N -1.15 1.65 -0.06 3.63 1.01 -0.54 -1.46 120.40 123.47 3f1y s VAL 249 Ca -0.13 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 3f1y s VAL 249 Cb -0.07 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 3f1y s VAL 249 CO 0.00 0.47 1.65 -0.62 0.00 0.00 0.00 175.10 176.60 3f1y s ASP 250 N 0.89 6.65 0.00 3.32 -1.08 0.89 -1.16 116.67 126.18 3f1y s ASP 250 Ca -0.08 2.21 0.15 0.00 -0.52 0.00 0.00 52.55 54.31 3f1y s ASP 250 Cb -0.15 -2.53 0.35 0.00 -1.46 0.00 0.00 42.92 39.12 3f1y s ASP 250 CO -0.01 -0.94 1.26 0.18 0.52 0.00 0.00 175.17 176.18 3f1y n LEU 251 N 7.20 3.03 0.00 -1.34 4.77 0.42 -1.90 117.00 129.18 3f1y n LEU 251 Ca 0.17 -1.75 0.00 0.00 -0.03 0.00 0.00 56.01 54.41 3f1y n LEU 251 Cb 0.43 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3f1y n LEU 251 CO 0.62 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 178.01 3f1y n GLY 252 N 0.90 0.75 3.90 -0.72 0.00 -1.26 -4.87 105.19 103.88 3f1y n GLY 252 Ca 0.14 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 3f1y n GLY 252 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f1y s GLU 253 N 0.00 3.51 -0.16 1.61 2.02 -1.26 -0.57 118.70 123.84 3f1y s GLU 253 Ca 0.00 -0.24 -0.05 0.00 0.02 0.00 0.00 54.97 54.70 3f1y s GLU 253 Cb 0.00 -3.05 0.08 0.00 0.10 0.00 0.00 34.13 31.26 3f1y s GLU 253 CO 0.00 0.63 0.28 0.50 0.02 0.00 0.00 175.26 176.69 3f1y s ARG 254 N -2.10 0.19 -0.19 1.61 3.52 0.11 -4.85 118.95 117.24 3f1y s ARG 254 Ca 0.31 0.66 -0.29 0.00 -0.13 0.00 0.00 55.73 56.28 3f1y s ARG 254 Cb -0.13 -0.25 -0.04 0.00 -1.56 0.00 0.00 34.95 32.97 3f1y s ARG 254 CO 0.21 -0.39 1.88 1.14 -0.81 0.00 0.00 175.30 177.33 3f1y s GLN 255 N 2.44 3.59 0.66 5.12 1.03 -1.26 -3.66 119.66 127.58 3f1y s GLN 255 Ca 0.03 1.90 -0.15 0.00 0.04 0.00 0.00 55.36 57.18 3f1y s GLN 255 Cb -0.13 -4.18 0.00 0.00 0.03 0.00 0.00 33.01 28.73 3f1y s GLN 255 CO -0.10 -1.56 1.11 0.54 -2.54 0.00 0.00 175.29 172.73 3f1y s ASN 256 N 5.74 5.09 0.62 12.60 4.22 -1.26 -4.88 114.94 137.07 3f1y s ASN 256 Ca 0.84 1.98 -0.09 0.00 -2.14 0.00 0.00 52.86 53.45 3f1y s ASN 256 Cb -0.30 -2.55 -0.01 0.00 1.28 0.00 0.00 41.25 39.67 3f1y s ASN 256 CO 0.34 -1.64 0.99 -0.60 -2.04 0.00 0.00 177.10 174.14 3f1y s ARG 257 N -4.16 3.24 -0.01 3.55 6.06 -1.26 -5.07 118.95 121.30 3f1y s ARG 257 Ca 0.66 0.44 -0.06 0.00 -2.50 0.00 0.00 55.73 54.27 3f1y s ARG 257 Cb -0.20 -2.14 -0.05 0.00 0.06 0.00 0.00 34.95 32.62 3f1y s ARG 257 CO 0.42 -0.68 0.25 -3.38 -2.50 0.00 0.00 175.30 169.41 3f1y s HIS 258 N -3.14 3.58 0.18 5.12 0.00 -1.26 -5.10 115.29 114.67 3f1y s HIS 258 Ca 0.55 0.56 -0.20 0.00 -3.00 0.00 0.00 55.06 52.97 3f1y s HIS 258 Cb -0.11 -1.98 0.04 0.00 -4.00 0.00 0.00 32.58 26.54 3f1y s HIS 258 CO 0.50 0.64 0.55 -0.65 -1.00 0.00 0.00 174.74 174.78 3f1y s GLN 259 N -1.65 1.33 -0.17 -0.38 -0.21 -1.26 -5.14 119.66 112.18 3f1y s GLN 259 Ca 0.26 -0.70 -0.21 0.00 0.02 0.00 0.00 55.36 54.72 3f1y s GLN 259 Cb -0.13 0.55 -0.03 0.00 1.00 0.00 0.00 33.01 34.40 3f1y s GLN 259 CO 0.15 -0.57 0.65 -1.01 -2.12 0.00 0.00 175.29 172.39 3f1y s HIS 260 N -3.82 3.42 0.31 0.91 3.76 -1.26 -4.95 115.29 113.66 3f1y s HIS 260 Ca 0.05 1.01 0.07 0.00 -0.15 0.00 0.00 55.06 56.04 3f1y s HIS 260 Cb -0.01 -2.80 0.85 0.00 1.11 0.00 0.00 32.58 31.72 3f1y s HIS 260 CO -0.07 -0.12 1.69 1.25 -0.85 0.00 0.00 174.74 176.64 3f1y h LEU 261 N 7.88 0.38 -1.12 0.89 5.85 -2.00 0.45 115.31 127.64 3f1y h LEU 261 Ca -0.33 0.17 0.22 0.00 0.84 0.00 0.00 57.88 58.77 3f1y h LEU 261 Cb 1.15 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 42.22 3f1y h LEU 261 CO 0.78 -0.04 0.62 -0.09 -0.34 0.00 0.00 178.44 179.36 3f1y h ARG 262 N 0.38 0.60 0.00 1.25 2.43 -2.02 -2.03 114.38 115.00 3f1y h ARG 262 Ca 0.62 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.63 3f1y h ARG 262 Cb 1.25 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 3f1y h ARG 262 CO -0.56 0.40 -0.81 -0.44 -1.51 0.00 0.00 179.97 177.05 3f1y h ASP 263 N 0.62 0.00 0.15 -3.80 3.32 -0.52 -3.16 116.42 113.03 3f1y h ASP 263 Ca 0.59 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.60 3f1y h ASP 263 Cb 1.12 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 3f1y h ASP 263 CO -0.37 0.53 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.43 3f1y h LEU 264 N 0.00 0.06 -0.69 1.55 3.38 -0.85 -3.11 115.31 115.65 3f1y h LEU 264 Ca -0.05 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3f1y h LEU 264 Cb 1.45 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 3f1y h LEU 264 CO 0.06 0.24 0.45 -1.28 0.09 0.00 0.00 178.44 178.01 3f1y h SER 265 N 0.06 0.78 0.65 -0.43 0.87 -1.41 0.28 113.55 114.35 3f1y h SER 265 Ca 0.01 -0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.44 3f1y h SER 265 Cb 0.35 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 3f1y h SER 265 CO 0.02 0.56 -0.52 0.03 -0.53 0.00 0.00 176.83 176.40 3f1y h ARG 266 N 0.92 0.00 -0.59 2.24 3.08 -1.70 -0.50 114.38 117.83 3f1y h ARG 266 Ca 0.25 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.20 3f1y h ARG 266 Cb -0.10 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3f1y h ARG 266 CO -0.06 0.52 -0.02 0.52 -1.07 0.00 0.00 179.97 179.86 3f1y h MET 267 N 0.00 1.06 -0.63 0.04 2.86 -1.07 -2.27 114.93 114.93 3f1y h MET 267 Ca -0.01 -0.35 -0.06 0.00 -2.06 0.00 0.00 59.70 57.23 3f1y h MET 267 Cb 0.98 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.53 3f1y h MET 267 CO 0.07 1.05 0.17 0.77 1.06 0.00 0.00 176.91 180.02 3f1y h SER 268 N 0.95 0.91 -0.90 1.22 0.02 0.06 -1.62 113.55 114.19 3f1y h SER 268 Ca 0.16 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3f1y h SER 268 Cb 0.59 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 3f1y h SER 268 CO 0.03 0.87 0.60 0.22 -1.14 0.00 0.00 176.83 177.41 3f1y h TYR 269 N 0.93 1.14 -0.55 3.45 3.20 -0.85 -0.58 116.97 123.70 3f1y h TYR 269 Ca 0.20 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.02 3f1y h TYR 269 Cb 0.31 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 3f1y h TYR 269 CO 0.02 0.72 0.03 0.00 -1.64 0.00 0.00 178.16 177.29 3f1y h ALA 270 N 1.44 0.74 -0.43 1.82 0.00 -0.73 0.96 119.26 123.06 3f1y h ALA 270 Ca 0.33 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3f1y h ALA 270 Cb -0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3f1y h ALA 270 CO -0.07 0.54 0.25 0.28 0.00 0.00 0.00 179.25 180.26 3f1y h VAL 271 N 0.84 1.05 -0.24 0.00 2.07 -0.66 0.85 116.25 120.16 3f1y h VAL 271 Ca 0.16 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3f1y h VAL 271 Cb 0.50 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3f1y h VAL 271 CO 0.02 0.09 0.12 0.58 0.02 0.00 0.00 177.57 178.40 3f1y h VAL 272 N 0.52 0.99 -0.96 2.57 2.07 -0.74 -2.08 116.25 118.62 3f1y h VAL 272 Ca 0.17 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.62 3f1y h VAL 272 Cb 0.00 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 3f1y h VAL 272 CO -0.07 0.05 0.63 0.03 0.02 0.00 0.00 177.57 178.22 3f1y h ARG 273 N 0.25 1.23 -0.32 1.57 3.08 -0.38 0.86 114.38 120.67 3f1y h ARG 273 Ca 0.10 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3f1y h ARG 273 Cb 0.03 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 3f1y h ARG 273 CO -0.07 0.82 0.04 0.00 -1.07 0.00 0.00 179.97 179.69 3f1y h ALA 274 N 1.37 0.43 0.00 0.04 0.00 -0.54 -0.30 119.26 120.27 3f1y h ALA 274 Ca 0.36 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3f1y h ALA 274 Cb -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3f1y h ALA 274 CO -0.09 0.14 -0.00 0.28 0.00 0.00 0.00 179.25 179.57 3f1y h VAL 275 N 0.37 1.04 -0.73 0.00 2.07 -1.03 -1.20 116.25 116.78 3f1y h VAL 275 Ca 0.10 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.53 3f1y h VAL 275 Cb 0.36 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 3f1y h VAL 275 CO 0.01 0.03 0.44 0.00 0.02 0.00 0.00 177.57 178.07 3f1y h ALA 276 N 0.94 0.97 -0.03 1.67 0.00 -0.69 0.26 119.26 122.38 3f1y h ALA 276 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3f1y h ALA 276 Cb 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3f1y h ALA 276 CO 0.00 0.17 0.02 -0.09 0.00 0.00 0.00 179.25 179.35 3f1y h ARG 277 N 0.83 0.05 -0.78 0.00 9.65 -0.84 -0.35 114.38 122.94 3f1y h ARG 277 Ca 0.31 -0.01 0.03 0.00 -1.10 0.00 0.00 59.98 59.21 3f1y h ARG 277 Cb 0.12 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.64 3f1y h ARG 277 CO -0.15 0.14 0.51 0.00 2.80 0.00 0.00 179.97 183.27 3f1y h ARG 278 N -0.06 0.95 -0.73 0.20 2.47 -0.37 -1.82 114.38 115.03 3f1y h ARG 278 Ca 0.01 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.62 3f1y h ARG 278 Cb 0.11 -0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.18 3f1y h ARG 278 CO -0.00 0.63 0.25 -0.07 0.56 0.00 0.00 179.97 181.33 3f1y h LEU 279 N 0.98 1.03 -0.65 3.04 3.38 -0.16 -1.49 115.31 121.45 3f1y h LEU 279 Ca 0.30 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 3f1y h LEU 279 Cb 0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3f1y h LEU 279 CO -0.08 0.95 -0.04 -0.09 0.09 0.00 0.00 178.44 179.26 3f1y h ARG 280 N 1.07 1.02 -0.62 1.13 2.43 -0.61 -1.31 114.38 117.49 3f1y h ARG 280 Ca 0.24 -0.33 -0.07 0.00 -0.81 0.00 0.00 59.98 59.01 3f1y h ARG 280 Cb 0.27 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3f1y h ARG 280 CO -0.01 1.02 0.12 0.37 -1.51 0.00 0.00 179.97 179.96 3f1y h GLN 281 N 0.92 0.99 0.00 0.20 4.15 -0.96 -2.35 115.11 118.07 3f1y h GLN 281 Ca 0.16 -0.24 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 3f1y h GLN 281 Cb 0.59 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 3f1y h GLN 281 CO 0.04 0.90 -0.07 0.93 -1.93 0.00 0.00 178.83 178.70 3f1y h GLU 282 N 0.94 0.00 0.00 1.69 5.08 -1.03 -3.47 114.58 117.79 3f1y h GLU 282 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3f1y h GLU 282 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3f1y h GLU 282 CO 0.01 0.07 0.00 0.41 -1.00 0.00 0.00 179.01 178.49 3f1y n GLY 283 N 0.24 0.71 0.16 -3.84 0.00 -0.59 -4.94 105.19 96.94 3f1y n GLY 283 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 3f1y n GLY 283 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3f1y h ARG 284 N 3.96 0.23 -5.09 1.61 3.08 -1.57 -3.41 114.38 113.18 3f1y h ARG 284 Ca 0.00 -0.16 -0.64 0.00 0.07 0.00 0.00 59.98 59.25 3f1y h ARG 284 Cb 0.00 0.03 -0.20 0.00 0.08 0.00 0.00 29.97 29.88 3f1y h ARG 284 CO 0.00 0.78 -0.61 -1.17 -1.07 0.00 0.00 179.97 177.91 3f1y s LEU 285 N -7.86 3.56 0.30 3.04 2.96 -1.02 -4.98 118.68 114.67 3f1y s LEU 285 Ca -0.04 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.81 3f1y s LEU 285 Cb 0.12 -1.93 -0.06 0.00 0.50 0.00 0.00 46.19 44.82 3f1y s LEU 285 CO 0.80 0.05 0.03 0.00 -1.32 0.00 0.00 176.35 175.91 3f1y s GLN 286 N 1.09 1.57 -0.68 1.98 -2.07 -1.26 -4.21 119.66 116.08 3f1y s GLN 286 Ca 0.04 -1.84 -0.13 0.00 -1.82 0.00 0.00 55.36 51.61 3f1y s GLN 286 Cb -0.14 -0.85 0.02 0.00 -1.09 0.00 0.00 33.01 30.94 3f1y s GLN 286 CO 0.03 -0.13 0.25 0.00 -1.32 0.00 0.00 175.29 174.11 3f1y n GLN 287 N -0.61 -0.72 -0.35 9.60 10.64 -1.26 -4.82 117.38 129.87 3f1y n GLN 287 Ca -0.03 -0.15 0.09 0.00 -1.83 0.00 0.00 57.00 55.07 3f1y n GLN 287 Cb 0.66 -1.09 0.19 0.00 -0.86 0.00 0.00 30.24 29.13 3f1y n GLN 287 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 3f1y n LEU 288 N -3.01 -0.28 -4.68 2.61 7.94 -1.26 -4.18 117.00 114.14 3f1y n LEU 288 Ca -0.09 1.69 -0.42 0.00 -1.11 0.00 0.00 56.01 56.07 3f1y n LEU 288 Cb 0.31 -0.54 -0.03 0.00 0.53 0.00 0.00 43.42 43.69 3f1y n LEU 288 CO 0.40 -1.65 1.07 -0.60 -1.11 0.00 0.00 177.39 175.50 3f1y s ARG 289 N -6.16 4.29 0.06 1.96 3.52 -1.26 -4.96 118.95 116.40 3f1y s ARG 289 Ca -0.14 1.79 -0.31 0.00 -0.13 0.00 0.00 55.73 56.94 3f1y s ARG 289 Cb 0.27 -3.65 -0.08 0.00 -1.56 0.00 0.00 34.95 29.93 3f1y s ARG 289 CO 0.77 -0.58 1.64 -1.21 -0.81 0.00 0.00 175.30 175.11 3f1y s GLU 290 N 2.75 4.20 0.02 5.12 2.02 -1.26 -4.91 118.70 126.65 3f1y s GLU 290 Ca 0.59 2.31 -0.31 0.00 0.02 0.00 0.00 54.97 57.58 3f1y s GLU 290 Cb -0.26 -3.60 -0.10 0.00 0.10 0.00 0.00 34.13 30.27 3f1y s GLU 290 CO 0.22 -0.73 1.95 -2.30 0.02 0.00 0.00 175.26 174.42 3f1y n PRO 291 N 5.62 2.76 0.00 0.39 -0.02 -1.26 -1.22 135.00 141.27 3f1y n PRO 291 Ca 0.16 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.65 3f1y n PRO 291 Cb 0.41 -2.95 0.00 0.00 -0.02 0.00 0.00 33.50 30.94 3f1y n PRO 291 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f1y n GLY 292 N 4.51 3.59 3.48 -1.23 0.00 -1.26 -5.05 105.19 109.22 3f1y n GLY 292 Ca 0.20 -0.92 -0.52 0.00 0.00 0.00 0.00 46.02 44.79 3f1y n GLY 292 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3f1y n LEU 293 N 0.00 2.15 -4.43 0.99 -0.00 -0.35 -4.92 117.00 110.43 3f1y n LEU 293 Ca 0.00 0.54 -0.39 0.00 -0.00 0.00 0.00 56.01 56.16 3f1y n LEU 293 Cb 0.00 -1.23 0.03 0.00 -0.00 0.00 0.00 43.42 42.22 3f1y n LEU 293 CO 0.00 -0.66 -0.05 -2.65 -0.00 0.00 0.00 177.39 174.03 3f1y n PRO 294 N 7.74 0.44 -0.11 1.96 -0.02 -1.26 -4.84 135.00 138.91 3f1y n PRO 294 Ca 0.39 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3f1y n PRO 294 Cb 0.20 -1.56 0.28 0.00 -0.02 0.00 0.00 33.50 32.40 3f1y n PRO 294 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3f1y h GLU 295 N 0.28 0.77 0.00 -0.52 4.57 -1.94 -2.73 114.58 115.01 3f1y h GLU 295 Ca -0.44 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 57.64 3f1y h GLU 295 Cb 1.41 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.85 3f1y h GLU 295 CO 0.47 0.60 -0.01 0.66 -1.18 0.00 0.00 179.01 179.55 3f1y h SER 296 N 0.77 0.00 1.38 1.04 4.64 -2.02 0.14 113.55 119.51 3f1y h SER 296 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3f1y h SER 296 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3f1y h SER 296 CO -0.02 0.01 -0.07 0.49 -0.87 0.00 0.00 176.83 176.36 3f1y n PHE 297 N -3.68 0.85 -3.52 4.77 3.72 -1.03 -4.81 117.46 113.76 3f1y n PHE 297 Ca -0.03 0.25 -0.42 0.00 -0.05 0.00 0.00 57.45 57.20 3f1y n PHE 297 Cb 0.09 -0.89 -0.09 0.00 -0.94 0.00 0.00 39.48 37.65 3f1y n PHE 297 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3f1y s PHE 298 N -3.10 3.32 -0.35 1.38 5.36 0.49 -4.97 117.98 120.10 3f1y s PHE 298 Ca 0.10 -1.40 0.05 0.00 -0.96 0.00 0.00 56.93 54.72 3f1y s PHE 298 Cb 0.13 -3.13 0.17 0.00 -0.34 0.00 0.00 43.02 39.85 3f1y s PHE 298 CO 0.61 -0.86 0.51 -0.65 -1.46 0.00 0.00 175.22 173.37 3f1y s GLN 299 N 1.48 0.64 0.37 10.12 -1.52 -1.26 -5.00 119.66 124.49 3f1y s GLN 299 Ca 0.04 -0.18 0.06 0.00 -1.95 0.00 0.00 55.36 53.33 3f1y s GLN 299 Cb -0.24 -0.16 0.76 0.00 -0.22 0.00 0.00 33.01 33.14 3f1y s GLN 299 CO 0.03 -1.13 1.96 -0.07 -0.25 0.00 0.00 175.29 175.83 3f1y h LEU 300 N 7.45 0.65 -1.17 2.90 3.38 -1.99 0.11 115.31 126.64 3f1y h LEU 300 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3f1y h LEU 300 Cb 1.14 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3f1y h LEU 300 CO 0.17 0.42 0.00 0.77 0.09 0.00 0.00 178.44 179.89 3f1y h SER 301 N 0.74 0.00 -3.18 -0.43 4.64 -1.95 -3.41 113.55 109.97 3f1y h SER 301 Ca 0.30 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.95 3f1y h SER 301 Cb 0.25 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.17 3f1y h SER 301 CO -0.10 0.00 0.18 -0.62 -0.87 0.00 0.00 176.83 175.42 3f1y s ASP 302 N -4.87 6.24 -0.35 4.97 2.15 0.39 -1.87 116.67 123.32 3f1y s ASP 302 Ca 0.02 -0.87 -0.15 0.00 0.43 0.00 0.00 52.55 51.98 3f1y s ASP 302 Cb 0.09 -2.32 -0.01 0.00 -0.30 0.00 0.00 42.92 40.38 3f1y s ASP 302 CO 0.45 -1.00 0.37 -0.47 -0.17 0.00 0.00 175.17 174.34 3f1y s TYR 303 N 2.95 3.21 -0.13 -5.34 5.04 0.71 -4.87 117.35 118.91 3f1y s TYR 303 Ca 0.18 -0.07 -0.15 0.00 -2.44 0.00 0.00 57.07 54.59 3f1y s TYR 303 Cb -0.18 -2.69 -0.05 0.00 0.35 0.00 0.00 41.96 39.39 3f1y s TYR 303 CO 0.13 -0.46 0.36 -0.51 -1.34 0.00 0.00 175.55 173.72 3f1y s LEU 304 N 2.03 4.28 -0.32 6.97 1.43 -1.26 -0.67 118.68 131.14 3f1y s LEU 304 Ca 0.12 0.65 0.01 0.00 -1.03 0.00 0.00 54.13 53.88 3f1y s LEU 304 Cb -0.17 -2.49 0.10 0.00 0.03 0.00 0.00 46.19 43.67 3f1y s LEU 304 CO 0.12 0.10 0.09 -2.28 0.23 0.00 0.00 176.35 174.61 3f1y s HIS 305 N 0.29 2.31 0.13 0.29 2.46 0.98 -4.98 115.29 116.77 3f1y s HIS 305 Ca 0.20 -2.11 -0.28 0.00 0.47 0.00 0.00 55.06 53.34 3f1y s HIS 305 Cb -0.14 -2.07 -0.07 0.00 -0.13 0.00 0.00 32.58 30.17 3f1y s HIS 305 CO 0.07 -0.90 0.86 0.00 -2.47 0.00 0.00 174.74 172.30 3f1y s ALA 306 N 1.39 3.34 0.10 1.58 0.00 -1.26 -1.98 121.76 124.94 3f1y s ALA 306 Ca 0.10 0.46 -0.00 0.00 0.00 0.00 0.00 51.96 52.52 3f1y s ALA 306 Cb -0.18 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 3f1y s ALA 306 CO -0.20 0.12 -0.01 0.14 0.00 0.00 0.00 175.76 175.81 3f1y s VAL 307 N -0.52 0.32 -0.12 0.00 -7.23 -0.40 -4.98 120.40 107.47 3f1y s VAL 307 Ca 0.41 -1.88 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 3f1y s VAL 307 Cb -0.23 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 34.91 3f1y s VAL 307 CO 0.28 -0.75 -0.14 0.00 -0.31 0.00 0.00 175.10 174.18 3f1y s ALA 308 N -3.88 2.58 0.28 1.32 0.00 -1.26 -1.33 121.76 119.47 3f1y s ALA 308 Ca 0.15 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.26 3f1y s ALA 308 Cb 0.07 -1.15 -0.06 0.00 0.00 0.00 0.00 23.12 21.98 3f1y s ALA 308 CO -0.04 0.28 -0.02 0.95 0.00 0.00 0.00 175.76 176.93 3f1y s THR 309 N 0.25 1.41 0.25 0.00 -4.23 0.17 -4.97 115.64 108.53 3f1y s THR 309 Ca -0.10 -2.07 0.32 0.00 -1.18 0.00 0.00 61.69 58.66 3f1y s THR 309 Cb -0.16 -2.52 0.32 0.00 1.34 0.00 0.00 72.50 71.49 3f1y s THR 309 CO 0.06 -0.23 1.98 -0.65 -0.54 0.00 0.00 174.62 175.23 3f1y h PRO 310 N 2.27 0.00 -0.54 3.99 0.11 -2.03 -0.23 132.00 135.58 3f1y h PRO 310 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3f1y h PRO 310 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3f1y h PRO 310 CO 0.68 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.62 3f1y n GLU 311 N -2.65 2.78 0.00 1.05 0.28 -1.26 -5.07 120.64 115.77 3f1y n GLU 311 Ca -0.02 -2.35 0.00 0.00 -0.16 0.00 0.00 57.16 54.63 3f1y n GLU 311 Cb 0.09 -1.42 0.00 0.00 1.43 0.00 0.00 31.44 31.54 3f1y n GLU 311 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3f1y n GLY 312 N 1.09 0.91 3.79 -1.84 0.00 -0.10 -5.05 105.19 103.99 3f1y n GLY 312 Ca 0.18 -2.19 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 3f1y n GLY 312 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f1y s LEU 313 N 0.00 4.49 0.02 0.99 1.43 -1.26 0.42 118.68 124.76 3f1y s LEU 313 Ca 0.00 1.62 0.01 0.00 -1.03 0.00 0.00 54.13 54.73 3f1y s LEU 313 Cb 0.00 -3.50 -0.01 0.00 0.03 0.00 0.00 46.19 42.71 3f1y s LEU 313 CO 0.00 0.12 -0.04 -0.54 0.23 0.00 0.00 176.35 176.11 3f1y s LYS 314 N -1.52 0.33 -0.46 1.70 3.01 -0.44 -4.94 119.74 117.41 3f1y s LYS 314 Ca 0.40 -0.45 -0.13 0.00 -1.01 0.00 0.00 55.97 54.78 3f1y s LYS 314 Cb -0.21 -0.12 0.08 0.00 -1.01 0.00 0.00 37.83 36.58 3f1y s LYS 314 CO 0.25 0.02 0.35 -1.17 0.51 0.00 0.00 175.35 175.31 3f1y s LEU 315 N -0.96 5.51 0.15 3.17 2.96 -1.26 -1.28 118.68 126.96 3f1y s LEU 315 Ca -0.08 -1.44 -0.22 0.00 -0.22 0.00 0.00 54.13 52.17 3f1y s LEU 315 Cb -0.07 -2.11 -0.08 0.00 0.50 0.00 0.00 46.19 44.44 3f1y s LEU 315 CO -0.00 -0.63 0.69 -1.10 -1.32 0.00 0.00 176.35 173.99 3f1y s GLN 316 N 1.55 4.36 -0.07 1.98 -0.21 -0.84 -4.91 119.66 121.53 3f1y s GLN 316 Ca 0.04 0.94 0.05 0.00 0.02 0.00 0.00 55.36 56.40 3f1y s GLN 316 Cb -0.24 -3.16 -0.00 0.00 1.00 0.00 0.00 33.01 30.60 3f1y s GLN 316 CO 0.05 0.56 -0.22 -2.00 -2.12 0.00 0.00 175.29 171.55 3f1y s GLU 317 N -1.34 2.41 -0.12 2.91 2.12 -1.26 -0.02 118.70 123.41 3f1y s GLU 317 Ca 0.35 -0.78 0.02 0.00 0.36 0.00 0.00 54.97 54.92 3f1y s GLU 317 Cb -0.20 -1.97 0.01 0.00 0.26 0.00 0.00 34.13 32.23 3f1y s GLU 317 CO 0.22 0.26 -0.18 0.71 -0.54 0.00 0.00 175.26 175.73 3f1y s TYR 318 N 0.10 2.26 -0.33 5.30 2.02 0.16 -4.97 117.35 121.88 3f1y s TYR 318 Ca -0.09 -1.09 -0.07 0.00 -0.37 0.00 0.00 57.07 55.45 3f1y s TYR 318 Cb -0.15 -1.58 0.03 0.00 -0.40 0.00 0.00 41.96 39.86 3f1y s TYR 318 CO 0.05 -0.53 0.11 0.08 -1.57 0.00 0.00 175.55 173.69 3f1y s VAL 319 N 0.91 3.92 -0.14 0.71 1.01 -1.26 -0.21 120.40 125.33 3f1y s VAL 319 Ca -0.07 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.91 3f1y s VAL 319 Cb -0.15 -3.16 0.04 0.00 0.00 0.00 0.00 36.38 33.11 3f1y s VAL 319 CO -0.01 -0.12 0.01 -0.70 0.00 0.00 0.00 175.10 174.28 3f1y s GLU 320 N 1.45 0.77 0.32 2.72 2.56 -0.78 -5.03 118.70 120.70 3f1y s GLU 320 Ca -0.00 -0.24 -0.28 0.00 0.00 0.00 0.00 54.97 54.45 3f1y s GLU 320 Cb -0.19 -1.68 -0.09 0.00 2.00 0.00 0.00 34.13 34.17 3f1y s GLU 320 CO 0.03 -0.48 1.10 -2.00 -0.56 0.00 0.00 175.26 173.35 3f1y s GLU 321 N 1.86 4.49 -1.13 4.30 2.12 -1.26 -4.55 118.70 124.53 3f1y s GLU 321 Ca 0.02 1.76 -0.16 0.00 0.36 0.00 0.00 54.97 56.94 3f1y s GLU 321 Cb -0.15 -3.01 0.14 0.00 0.26 0.00 0.00 34.13 31.37 3f1y s GLU 321 CO -0.07 0.09 1.39 -1.17 -0.54 0.00 0.00 175.26 174.96 3f1y s LEU 322 N -1.79 4.81 0.20 2.70 2.96 -1.26 -4.99 118.68 121.33 3f1y s LEU 322 Ca 0.48 -2.58 -0.30 0.00 -0.22 0.00 0.00 54.13 51.52 3f1y s LEU 322 Cb -0.30 -2.43 -0.08 0.00 0.50 0.00 0.00 46.19 43.88 3f1y s LEU 322 CO 0.38 -0.93 1.04 -0.69 -1.32 0.00 0.00 176.35 174.84 3f1y s VAL 323 N 2.40 3.92 -0.05 1.68 1.01 -1.26 -4.98 120.40 123.13 3f1y s VAL 323 Ca 0.41 1.77 0.02 0.00 0.00 0.00 0.00 61.98 64.18 3f1y s VAL 323 Cb -0.02 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.24 3f1y s VAL 323 CO -0.02 0.35 -0.09 -0.70 0.00 0.00 0.00 175.10 174.64 3f1y s GLU 324 N -0.74 1.26 0.08 2.72 2.12 -1.26 -1.37 118.70 121.51 3f1y s GLU 324 Ca 0.46 -0.30 -0.20 0.00 0.36 0.00 0.00 54.97 55.29 3f1y s GLU 324 Cb -0.28 -1.11 -0.07 0.00 0.26 0.00 0.00 34.13 32.93 3f1y s GLU 324 CO 0.35 0.02 0.60 1.03 -0.54 0.00 0.00 175.26 176.72 3f1y s ARG 325 N 0.60 4.26 0.79 4.30 1.81 0.34 -4.96 118.95 126.09 3f1y s ARG 325 Ca -0.11 0.80 -0.11 0.00 -1.72 0.00 0.00 55.73 54.59 3f1y s ARG 325 Cb -0.14 -3.25 0.07 0.00 -0.45 0.00 0.00 34.95 31.18 3f1y s ARG 325 CO 0.02 0.61 1.10 -1.25 -0.68 0.00 0.00 175.30 175.10 3f1y s PRO 326 N -1.06 2.14 -0.15 3.54 0.04 -1.26 -1.70 135.00 136.56 3f1y s PRO 326 Ca 0.30 0.61 -0.39 0.00 0.04 0.00 0.00 61.00 61.56 3f1y s PRO 326 Cb -0.20 -1.93 -0.16 0.00 0.04 0.00 0.00 34.50 32.26 3f1y s PRO 326 CO 0.20 -1.57 1.64 -2.30 0.04 0.00 0.00 177.00 175.00 3f1y n PRO 327 N -3.39 1.24 0.26 0.56 -0.02 -1.25 -4.62 135.00 127.78 3f1y n PRO 327 Ca 0.07 0.45 0.09 0.00 -2.02 0.00 0.00 63.50 62.10 3f1y n PRO 327 Cb 0.56 -2.14 0.68 0.00 -0.02 0.00 0.00 33.50 32.59 3f1y n PRO 327 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3f1y h ILE 328 N 4.68 0.89 -1.35 4.25 2.10 -1.74 0.12 117.51 126.46 3f1y h ILE 328 Ca -0.47 -0.17 0.42 0.00 1.08 0.00 0.00 64.86 65.73 3f1y h ILE 328 Cb 1.32 1.10 -0.11 0.00 -1.09 0.00 0.00 36.82 38.03 3f1y h ILE 328 CO 0.91 0.05 0.90 0.78 -1.08 0.00 0.00 178.15 179.70 3f1y h ASN 329 N 0.00 0.22 0.38 2.19 -0.26 -1.66 -0.06 115.58 116.38 3f1y h ASN 329 Ca -0.00 0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 3f1y h ASN 329 Cb 0.09 0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.44 3f1y h ASN 329 CO 0.01 -0.12 -0.02 -0.62 -1.06 0.00 0.00 177.43 175.62 3f1y n GLU 330 N -4.56 0.65 0.00 0.81 1.02 0.43 -4.18 120.64 114.80 3f1y n GLU 330 Ca 0.36 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 3f1y n GLU 330 Cb 1.42 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 31.34 3f1y n GLU 330 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 3f1y n VAL 331 N -1.12 0.00 -3.65 2.62 3.14 -0.43 -5.06 118.33 113.82 3f1y n VAL 331 Ca 0.17 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.19 3f1y n VAL 331 Cb 0.22 0.75 -0.06 0.00 -1.06 0.00 0.00 33.84 33.70 3f1y n VAL 331 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 3f1y s LEU 332 N 0.00 4.40 0.03 6.55 0.20 -0.17 -5.05 118.68 124.64 3f1y s LEU 332 Ca 0.00 0.73 -0.35 0.00 0.69 0.00 0.00 54.13 55.20 3f1y s LEU 332 Cb 0.00 -2.66 -0.14 0.00 -0.43 0.00 0.00 46.19 42.97 3f1y s LEU 332 CO 0.00 0.27 1.68 -1.14 -0.29 0.00 0.00 176.35 176.87 3f1y n ARG 333 N 1.37 1.98 0.00 1.98 0.63 -1.26 -4.95 116.66 116.42 3f1y n ARG 333 Ca -0.12 0.72 0.06 0.00 -0.92 0.00 0.00 57.85 57.59 3f1y n ARG 333 Cb 0.53 -2.50 0.36 0.00 0.45 0.00 0.00 32.46 31.30 3f1y n ARG 333 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40