#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fck n ARG 2 N 0.00 -0.40 -2.12 0.00 1.74 -1.26 -4.23 116.66 110.39 1fck n ARG 2 Ca 0.00 1.38 -0.42 0.00 -0.77 0.00 0.00 57.85 58.04 1fck n ARG 2 Cb 0.00 -2.04 -0.03 0.00 -1.02 0.00 0.00 32.46 29.38 1fck n ARG 2 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1fck s ARG 3 N -5.41 4.25 0.01 5.56 6.06 -1.26 -4.90 118.95 123.26 1fck s ARG 3 Ca -0.11 2.09 0.09 0.00 -2.50 0.00 0.00 55.73 55.30 1fck s ARG 3 Cb 0.10 -3.58 -0.23 0.00 0.06 0.00 0.00 34.95 31.30 1fck s ARG 3 CO 0.56 -0.63 0.87 -0.09 -2.50 0.00 0.00 175.30 173.51 1fck h ARG 4 N 8.01 0.04 0.00 5.12 2.43 -1.98 -3.50 114.38 124.50 1fck h ARG 4 Ca -0.39 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1fck h ARG 4 Cb 1.19 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1fck h ARG 4 CO 0.91 0.74 0.00 -1.13 -1.51 0.00 0.00 179.97 178.98 1fck n SER 5 N -3.20 0.00 -4.73 -3.80 3.41 -1.26 -4.78 113.62 99.25 1fck n SER 5 Ca -0.12 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.09 1fck n SER 5 Cb 1.02 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.92 1fck n SER 5 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1fck s VAL 6 N -2.00 4.93 -0.53 -3.33 1.01 -1.03 -4.80 120.40 114.64 1fck s VAL 6 Ca 0.00 1.46 -0.21 0.00 0.00 0.00 0.00 61.98 63.23 1fck s VAL 6 Cb 0.00 -4.04 0.06 0.00 0.00 0.00 0.00 36.38 32.39 1fck s VAL 6 CO 0.00 0.32 0.75 -1.10 0.00 0.00 0.00 175.10 175.06 1fck s GLN 7 N 0.36 3.18 0.07 2.72 -0.21 -1.26 -0.86 119.66 123.66 1fck s GLN 7 Ca 0.37 -0.72 -0.17 0.00 0.02 0.00 0.00 55.36 54.86 1fck s GLN 7 Cb -0.19 -4.10 -0.06 0.00 1.00 0.00 0.00 33.01 29.66 1fck s GLN 7 CO 0.19 -1.35 0.52 -0.46 -2.12 0.00 0.00 175.29 172.07 1fck s TRP 8 N 3.12 3.74 -0.27 0.91 -0.11 -1.08 0.13 118.94 125.38 1fck s TRP 8 Ca 0.20 1.14 -0.09 0.00 1.22 0.00 0.00 56.10 58.57 1fck s TRP 8 Cb -0.17 -2.41 -0.03 0.00 -1.50 0.00 0.00 33.47 29.36 1fck s TRP 8 CO 0.14 0.57 0.13 0.00 -4.62 0.00 0.00 176.95 173.16 1fck s ALA 10 N 1.67 3.75 -0.41 0.00 0.00 -0.33 -4.75 121.76 121.69 1fck s ALA 10 Ca 0.06 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.09 1fck s ALA 10 Cb -0.16 -2.03 0.03 0.00 0.00 0.00 0.00 23.12 20.97 1fck s ALA 10 CO 0.07 0.07 0.66 1.33 0.00 0.00 0.00 175.76 177.89 1fck n VAL 11 N -1.62 0.12 -3.78 0.00 0.24 -1.26 -2.32 118.33 109.71 1fck n VAL 11 Ca -0.06 -0.56 -0.10 0.00 -2.04 0.00 0.00 64.34 61.59 1fck n VAL 11 Cb 0.56 1.00 -0.04 0.00 -1.47 0.00 0.00 33.84 33.89 1fck n VAL 11 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1fck s SER 12 N -0.37 -0.21 0.08 -1.34 1.04 -1.24 -4.24 113.70 107.42 1fck s SER 12 Ca 0.04 -0.55 -0.17 0.00 0.48 0.00 0.00 55.95 55.76 1fck s SER 12 Cb 0.03 0.55 -0.11 0.00 0.10 0.00 0.00 66.02 66.59 1fck s SER 12 CO 0.04 -1.02 1.37 -1.13 0.98 0.00 0.00 173.24 173.48 1fck h ASN 13 N 2.26 0.64 0.06 7.02 -0.73 -1.96 -0.33 115.58 122.55 1fck h ASN 13 Ca -0.29 -0.50 -0.01 0.00 1.87 0.00 0.00 56.30 57.37 1fck h ASN 13 Cb 1.26 -0.18 -0.00 0.00 0.27 0.00 0.00 38.32 39.66 1fck h ASN 13 CO 0.39 1.02 -0.03 1.55 -0.37 0.00 0.00 177.43 179.99 1fck h PRO 14 N 0.29 0.00 -0.05 6.67 0.13 -1.99 0.40 132.00 137.45 1fck h PRO 14 Ca 0.03 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.02 1fck h PRO 14 Cb 0.86 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.00 1fck h PRO 14 CO 0.07 0.03 -0.52 0.93 -0.23 0.00 0.00 178.00 178.27 1fck h GLU 15 N 0.00 0.44 -0.57 0.86 5.08 -1.87 -2.62 114.58 115.90 1fck h GLU 15 Ca -0.00 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1fck h GLU 15 Cb 0.06 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1fck h GLU 15 CO 0.00 1.05 0.31 0.00 -1.00 0.00 0.00 179.01 179.37 1fck h ALA 16 N 0.40 1.47 -0.40 3.43 0.00 0.48 0.15 119.26 124.79 1fck h ALA 16 Ca -0.05 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1fck h ALA 16 Cb 1.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1fck h ALA 16 CO 0.10 0.44 0.04 1.15 0.00 0.00 0.00 179.25 180.98 1fck h THR 17 N 0.79 1.25 0.00 0.00 2.02 -0.27 0.60 112.91 117.31 1fck h THR 17 Ca 0.20 -0.93 -0.08 0.00 0.77 0.00 0.00 66.41 66.38 1fck h THR 17 Cb 0.03 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1fck h THR 17 CO -0.03 0.32 -0.36 0.50 0.37 0.00 0.00 175.52 176.32 1fck h LYS 18 N 0.52 0.00 0.21 6.66 3.64 -1.00 -2.58 116.57 124.02 1fck h LYS 18 Ca 0.12 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1fck h LYS 18 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1fck h LYS 18 CO 0.01 0.36 -0.10 0.00 -2.27 0.00 0.00 179.45 177.45 1fck h PHE 20 N -0.78 1.11 0.00 0.00 0.04 -0.83 0.44 116.94 116.91 1fck h PHE 20 Ca -0.03 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1fck h PHE 20 Cb 0.51 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1fck h PHE 20 CO 0.06 0.41 0.00 0.00 -0.60 0.00 0.00 178.31 178.18 1fck n GLN 21 N -4.65 0.10 0.04 1.51 10.64 -0.98 -1.94 117.38 122.09 1fck n GLN 21 Ca 0.19 0.08 -0.17 0.00 -1.83 0.00 0.00 57.00 55.27 1fck n GLN 21 Cb 0.38 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 28.12 1fck n GLN 21 CO 0.00 0.00 0.00 2.35 -1.83 0.00 0.00 177.06 177.58 1fck h TRP 22 N 0.00 0.43 -0.47 2.61 7.01 0.13 -2.93 115.95 122.72 1fck h TRP 22 Ca 0.00 -0.31 -0.01 0.00 2.11 0.00 0.00 58.89 60.68 1fck h TRP 22 Cb 0.36 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.38 1fck h TRP 22 CO 0.00 1.43 0.24 0.37 -2.79 0.00 0.00 178.44 177.70 1fck h GLN 23 N 0.06 0.67 -0.06 2.65 4.15 -0.32 -1.54 115.11 120.72 1fck h GLN 23 Ca -0.29 -0.09 -0.24 0.00 0.77 0.00 0.00 58.65 58.80 1fck h GLN 23 Cb 2.03 -0.13 0.01 0.00 0.21 0.00 0.00 27.48 29.60 1fck h GLN 23 CO 0.14 0.54 -0.92 0.07 -1.93 0.00 0.00 178.83 176.73 1fck h ARG 24 N 0.62 0.69 0.00 1.69 0.11 -1.56 -2.81 114.38 113.12 1fck h ARG 24 Ca 0.16 -0.66 -0.00 0.00 0.10 0.00 0.00 59.98 59.58 1fck h ARG 24 Cb 0.08 0.17 -0.00 0.00 1.11 0.00 0.00 29.97 31.33 1fck h ARG 24 CO -0.02 1.26 -0.01 -0.91 0.10 0.00 0.00 179.97 180.39 1fck h ASN 25 N 0.42 0.00 0.16 0.08 4.21 -1.43 -1.17 115.58 117.86 1fck h ASN 25 Ca -0.09 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.41 1fck h ASN 25 Cb 1.56 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.76 1fck h ASN 25 CO 0.18 0.01 -0.08 0.24 -1.29 0.00 0.00 177.43 176.49 1fck h MET 26 N 0.00 -0.21 0.00 0.81 2.86 -1.02 -3.20 114.93 114.16 1fck h MET 26 Ca -0.00 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1fck h MET 26 Cb 0.18 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1fck h MET 26 CO 0.00 -0.14 -0.01 0.07 1.06 0.00 0.00 176.91 177.89 1fck h ARG 27 N -0.63 0.00 0.00 1.72 0.11 -1.45 0.95 114.38 115.09 1fck h ARG 27 Ca -0.02 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.02 1fck h ARG 27 Cb 0.17 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.24 1fck h ARG 27 CO 0.04 0.01 -0.16 -0.22 0.10 0.00 0.00 179.97 179.74 1fck h LYS 28 N 0.00 0.00 -0.38 0.08 3.64 -1.29 0.61 116.57 119.22 1fck h LYS 28 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1fck h LYS 28 Cb 0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1fck h LYS 28 CO 0.00 0.16 0.00 0.28 -2.27 0.00 0.00 179.45 177.62 1fck n VAL 29 N -4.34 0.52 -1.74 2.00 0.31 0.25 -4.95 118.33 110.39 1fck n VAL 29 Ca -0.03 -0.76 -0.17 0.00 -0.01 0.00 0.00 64.34 63.37 1fck n VAL 29 Cb 0.22 0.96 -0.05 0.00 -0.91 0.00 0.00 33.84 34.06 1fck n VAL 29 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1fck n ARG 30 N 1.43 -1.23 -2.33 5.55 5.12 0.20 -5.01 116.66 120.40 1fck n ARG 30 Ca 0.19 1.01 -0.26 0.00 -1.93 0.00 0.00 57.85 56.86 1fck n ARG 30 Cb 0.59 -5.29 0.14 0.00 -1.16 0.00 0.00 32.46 26.74 1fck n ARG 30 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1fck s GLY 31 N -2.65 1.77 0.13 -0.13 0.00 -0.87 -4.95 107.32 100.62 1fck s GLY 31 Ca 0.00 -1.55 -0.35 0.00 0.00 0.00 0.00 44.72 42.82 1fck s GLY 31 CO 0.00 -0.89 1.35 -1.55 0.00 0.00 0.00 173.10 172.01 1fck n PRO 32 N -3.22 1.40 -1.96 2.90 -0.04 -1.26 -4.41 135.00 128.41 1fck n PRO 32 Ca 0.15 0.50 -0.34 0.00 -0.04 0.00 0.00 63.50 63.78 1fck n PRO 32 Cb 0.60 -2.14 0.03 0.00 -0.04 0.00 0.00 33.50 31.96 1fck n PRO 32 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1fck s PRO 33 N 0.29 3.00 -0.13 0.54 0.04 -1.26 -4.78 135.00 132.70 1fck s PRO 33 Ca 0.80 1.53 -0.05 0.00 0.04 0.00 0.00 61.00 63.31 1fck s PRO 33 Cb -0.86 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 31.78 1fck s PRO 33 CO 0.47 -1.12 0.27 0.54 0.04 0.00 0.00 177.00 177.20 1fck s VAL 34 N -2.04 -0.26 0.60 -0.36 0.11 -1.26 -2.48 120.40 114.72 1fck s VAL 34 Ca 0.70 0.21 0.06 0.00 -2.93 0.00 0.00 61.98 60.03 1fck s VAL 34 Cb -0.23 -0.44 0.11 0.00 -1.53 0.00 0.00 36.38 34.29 1fck s VAL 34 CO 0.35 0.09 0.83 -1.54 -3.33 0.00 0.00 175.10 171.50 1fck n SER 35 N 4.86 1.76 -3.68 3.54 3.41 -0.04 -4.50 113.62 118.97 1fck n SER 35 Ca -0.15 -2.33 -0.21 0.00 -0.26 0.00 0.00 58.87 55.92 1fck n SER 35 Cb 0.51 -0.48 -0.18 0.00 -0.26 0.00 0.00 64.21 63.81 1fck n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fck s ILE 37 N 2.15 5.36 -0.11 0.00 1.09 0.15 -4.95 121.20 124.88 1fck s ILE 37 Ca 0.05 -0.16 -0.00 0.00 -1.10 0.00 0.00 60.65 59.43 1fck s ILE 37 Cb -0.12 -3.59 -0.02 0.00 -1.06 0.00 0.00 42.46 37.66 1fck s ILE 37 CO -0.03 0.22 -0.09 -0.75 -0.10 0.00 0.00 174.94 174.18 1fck s LYS 38 N -2.23 3.20 0.24 2.79 2.36 -1.26 -1.18 119.74 123.66 1fck s LYS 38 Ca 0.32 -0.61 -0.11 0.00 -2.55 0.00 0.00 55.97 53.03 1fck s LYS 38 Cb -0.13 -2.67 -0.01 0.00 -1.05 0.00 0.00 37.83 33.97 1fck s LYS 38 CO 0.23 0.38 0.41 1.03 1.55 0.00 0.00 175.35 178.95 1fck s ARG 39 N -0.06 1.48 0.12 4.03 1.81 -0.98 -4.95 118.95 120.40 1fck s ARG 39 Ca -0.01 -1.33 0.21 0.00 -1.72 0.00 0.00 55.73 52.89 1fck s ARG 39 Cb -0.14 0.43 -0.11 0.00 -0.45 0.00 0.00 34.95 34.69 1fck s ARG 39 CO 0.03 -0.59 0.85 -0.25 -0.68 0.00 0.00 175.30 174.66 1fck n ASP 40 N -0.36 0.63 -3.68 0.23 8.00 -1.26 -3.65 116.55 116.45 1fck n ASP 40 Ca -0.01 0.25 -0.09 0.00 0.71 0.00 0.00 54.79 55.65 1fck n ASP 40 Cb 0.63 0.79 -0.03 0.00 -0.02 0.00 0.00 41.12 42.49 1fck n ASP 40 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1fck s SER 41 N -5.23 0.01 0.11 -2.24 1.04 -1.26 -4.81 113.70 101.32 1fck s SER 41 Ca -0.03 -0.95 -0.23 0.00 0.48 0.00 0.00 55.95 55.22 1fck s SER 41 Cb 0.10 0.68 -0.10 0.00 0.10 0.00 0.00 66.02 66.81 1fck s SER 41 CO 0.82 -1.32 1.70 -0.65 0.98 0.00 0.00 173.24 174.78 1fck h PRO 42 N 2.12 -0.14 0.00 4.02 0.11 -1.94 -1.14 132.00 135.04 1fck h PRO 42 Ca -0.25 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 1fck h PRO 42 Cb 1.25 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1fck h PRO 42 CO 0.33 -0.09 -0.05 0.82 -0.21 0.00 0.00 178.00 178.80 1fck h ILE 43 N -0.14 0.88 -0.25 4.15 2.04 -1.97 0.77 117.51 122.99 1fck h ILE 43 Ca 0.03 -0.18 -0.12 0.00 1.00 0.00 0.00 64.86 65.59 1fck h ILE 43 Cb 0.19 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1fck h ILE 43 CO -0.09 0.05 -0.32 1.56 0.00 0.00 0.00 178.15 179.35 1fck h GLN 44 N 0.00 0.66 -0.81 2.37 4.20 -1.84 0.20 115.11 119.88 1fck h GLN 44 Ca -0.00 -0.38 -0.04 0.00 0.06 0.00 0.00 58.65 58.29 1fck h GLN 44 Cb 0.10 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 1fck h GLN 44 CO 0.01 0.99 0.35 0.00 -0.67 0.00 0.00 178.83 179.50 1fck h ILE 46 N 1.17 1.26 -0.17 0.00 2.04 0.65 -1.74 117.51 120.71 1fck h ILE 46 Ca 0.27 -0.94 -0.07 0.00 1.00 0.00 0.00 64.86 65.13 1fck h ILE 46 Cb 0.18 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1fck h ILE 46 CO -0.03 0.36 -0.14 1.56 0.00 0.00 0.00 178.15 179.90 1fck h GLN 47 N 1.00 0.41 -0.86 2.37 4.20 -0.48 -2.32 115.11 119.43 1fck h GLN 47 Ca 0.21 -0.20 0.15 0.00 0.06 0.00 0.00 58.65 58.86 1fck h GLN 47 Cb 0.35 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.04 1fck h GLN 47 CO 0.00 0.76 0.45 0.00 -0.67 0.00 0.00 178.83 179.37 1fck h ALA 48 N 0.64 1.30 -0.33 3.87 0.00 -0.31 -1.06 119.26 123.39 1fck h ALA 48 Ca 0.03 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1fck h ALA 48 Cb 0.67 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1fck h ALA 48 CO 0.04 -0.07 -0.47 0.82 0.00 0.00 0.00 179.25 179.56 1fck h ILE 49 N 0.65 1.27 0.00 0.00 2.04 -1.26 0.39 117.51 120.60 1fck h ILE 49 Ca 0.47 -1.65 -0.02 0.00 1.00 0.00 0.00 64.86 64.65 1fck h ILE 49 Cb 0.65 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1fck h ILE 49 CO -0.36 0.55 -0.10 0.00 0.00 0.00 0.00 178.15 178.24 1fck h ALA 50 N 0.75 1.14 -0.38 1.87 0.00 -0.65 -2.60 119.26 119.40 1fck h ALA 50 Ca 0.04 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 1fck h ALA 50 Cb 1.07 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.74 1fck h ALA 50 CO 0.11 0.12 -0.04 -0.85 0.00 0.00 0.00 179.25 178.59 1fck n GLU 51 N -3.41 1.92 -1.97 0.00 0.28 -0.67 -4.98 120.64 111.81 1fck n GLU 51 Ca -0.01 -3.16 -0.17 0.00 -0.16 0.00 0.00 57.16 53.66 1fck n GLU 51 Cb 0.26 -1.84 -0.04 0.00 1.43 0.00 0.00 31.44 31.26 1fck n GLU 51 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1fck n ASN 52 N -1.09 -4.75 -0.94 -1.84 3.02 -0.98 -4.83 115.26 103.84 1fck n ASN 52 Ca 0.34 0.24 0.12 0.00 -0.03 0.00 0.00 54.58 55.25 1fck n ASN 52 Cb 1.06 -4.13 0.24 0.00 -0.61 0.00 0.00 39.78 36.34 1fck n ASN 52 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1fck n ARG 53 N -2.54 2.25 -3.62 3.52 1.74 0.13 -4.93 116.66 113.21 1fck n ARG 53 Ca -0.19 -1.87 -0.07 0.00 -0.77 0.00 0.00 57.85 54.95 1fck n ARG 53 Cb 0.61 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.55 1fck n ARG 53 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fck s ALA 54 N -1.71 -1.63 -0.10 7.54 0.00 -1.11 -4.89 121.76 119.86 1fck s ALA 54 Ca 0.35 0.41 -0.01 0.00 0.00 0.00 0.00 51.96 52.71 1fck s ALA 54 Cb 0.21 0.65 -0.06 0.00 0.00 0.00 0.00 23.12 23.92 1fck s ALA 54 CO 0.30 -0.88 -0.10 -0.25 0.00 0.00 0.00 175.76 174.84 1fck n ASP 55 N -0.38 2.62 -4.06 0.00 8.00 0.35 -4.25 116.55 118.83 1fck n ASP 55 Ca -0.09 -0.01 -0.08 0.00 0.71 0.00 0.00 54.79 55.33 1fck n ASP 55 Cb 0.62 -0.19 -0.09 0.00 -0.02 0.00 0.00 41.12 41.44 1fck n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fck s ALA 56 N -2.19 0.43 -0.17 2.24 0.00 -0.93 -4.42 121.76 116.72 1fck s ALA 56 Ca -0.13 -1.14 -0.28 0.00 0.00 0.00 0.00 51.96 50.40 1fck s ALA 56 Cb 0.04 0.45 0.09 0.00 0.00 0.00 0.00 23.12 23.70 1fck s ALA 56 CO 0.21 -0.43 0.83 0.54 0.00 0.00 0.00 175.76 176.91 1fck s VAL 57 N -3.94 0.00 -0.14 0.00 0.11 -1.21 -1.25 120.40 113.98 1fck s VAL 57 Ca 0.10 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.10 1fck s VAL 57 Cb 0.07 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 1fck s VAL 57 CO -0.08 0.00 0.03 0.42 -3.33 0.00 0.00 175.10 172.15 1fck s THR 58 N -0.52 4.57 0.18 5.04 -4.23 -1.26 -0.24 115.64 119.18 1fck s THR 58 Ca -0.03 -0.13 0.07 0.00 -1.18 0.00 0.00 61.69 60.41 1fck s THR 58 Cb -0.02 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.77 1fck s THR 58 CO 0.03 0.53 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.75 1fck s LEU 59 N -0.21 2.53 0.69 4.79 1.43 -0.45 -4.92 118.68 122.54 1fck s LEU 59 Ca 0.07 -0.99 -0.12 0.00 -1.03 0.00 0.00 54.13 52.06 1fck s LEU 59 Cb -0.12 -0.57 0.01 0.00 0.03 0.00 0.00 46.19 45.53 1fck s LEU 59 CO 0.02 -0.21 1.07 -0.62 0.23 0.00 0.00 176.35 176.84 1fck s ASP 60 N -3.16 5.30 0.29 2.29 2.15 -1.26 -1.70 116.67 120.58 1fck s ASP 60 Ca 0.19 1.71 0.03 0.00 0.43 0.00 0.00 52.55 54.92 1fck s ASP 60 Cb -0.00 -2.51 0.72 0.00 -0.30 0.00 0.00 42.92 40.83 1fck s ASP 60 CO 0.05 -1.50 1.69 1.23 -0.17 0.00 0.00 175.17 176.46 1fck h GLY 61 N -0.52 1.50 1.54 2.66 0.00 -1.84 0.38 103.07 106.79 1fck h GLY 61 Ca -0.44 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 1fck h GLY 61 CO 0.56 -0.28 0.28 -1.33 0.00 0.00 0.00 176.54 175.77 1fck h GLY 62 N 0.37 0.66 1.02 4.60 0.00 -1.90 -1.81 103.07 106.01 1fck h GLY 62 Ca 0.56 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1fck h GLY 62 CO -0.55 0.25 -0.73 0.74 0.00 0.00 0.00 176.54 176.25 1fck h PHE 63 N 0.63 0.00 -0.30 5.60 -1.00 -1.20 -3.05 116.94 117.62 1fck h PHE 63 Ca 0.17 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.82 1fck h PHE 63 Cb -0.04 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 1fck h PHE 63 CO 0.00 0.00 -0.32 0.82 -1.61 0.00 0.00 178.31 177.20 1fck h ILE 64 N 0.00 1.28 0.42 -0.55 2.04 -0.26 0.31 117.51 120.76 1fck h ILE 64 Ca 0.00 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.39 1fck h ILE 64 Cb 0.75 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1fck h ILE 64 CO 0.00 0.47 -0.20 0.22 0.00 0.00 0.00 178.15 178.64 1fck h TYR 65 N 0.55 -0.52 -0.10 1.37 3.20 -1.39 -1.99 116.97 118.08 1fck h TYR 65 Ca 0.06 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.96 1fck h TYR 65 Cb 0.82 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.22 1fck h TYR 65 CO 0.04 -0.26 -0.15 0.93 -1.64 0.00 0.00 178.16 177.08 1fck h GLU 66 N -0.70 -0.19 -0.23 1.82 4.39 -1.41 -1.76 114.58 116.50 1fck h GLU 66 Ca -0.06 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.72 1fck h GLU 66 Cb 0.50 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1fck h GLU 66 CO 0.09 -0.13 0.29 0.00 -1.16 0.00 0.00 179.01 178.10 1fck h ALA 67 N 0.83 1.83 -0.00 3.43 0.00 -0.30 -1.50 119.26 123.55 1fck h ALA 67 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1fck h ALA 67 Cb 0.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1fck h ALA 67 CO -0.22 -0.40 -0.38 0.41 0.00 0.00 0.00 179.25 178.65 1fck n GLY 68 N -1.40 -1.14 3.86 0.00 0.00 -0.67 -0.51 105.19 105.33 1fck n GLY 68 Ca 0.03 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 1fck n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fck s LEU 69 N -2.87 3.09 0.62 0.99 1.43 -0.57 -4.07 118.68 117.31 1fck s LEU 69 Ca 0.15 1.39 -0.17 0.00 -1.03 0.00 0.00 54.13 54.47 1fck s LEU 69 Cb 0.18 -4.32 -0.02 0.00 0.03 0.00 0.00 46.19 42.06 1fck s LEU 69 CO 0.64 -1.17 1.17 0.00 0.23 0.00 0.00 176.35 177.21 1fck s ALA 70 N -3.19 2.48 -1.95 4.21 0.00 -1.26 -0.98 121.76 121.07 1fck s ALA 70 Ca 0.57 0.83 0.26 0.00 0.00 0.00 0.00 51.96 53.62 1fck s ALA 70 Cb -0.12 -3.40 0.76 0.00 0.00 0.00 0.00 23.12 20.36 1fck s ALA 70 CO 0.54 -1.23 1.57 -0.35 0.00 0.00 0.00 175.76 176.29 1fck n PRO 71 N -1.93 1.06 0.23 0.00 -0.04 -1.26 -4.82 135.00 128.24 1fck n PRO 71 Ca 0.12 -0.65 -0.13 0.00 -0.04 0.00 0.00 63.50 62.80 1fck n PRO 71 Cb 0.51 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 1fck n PRO 71 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1fck h TYR 72 N 1.59 -0.57 -6.39 0.54 0.05 -1.77 -3.47 116.97 106.94 1fck h TYR 72 Ca 0.00 -0.01 -0.49 0.00 0.05 0.00 0.00 58.73 58.28 1fck h TYR 72 Cb 0.53 0.19 -0.06 0.00 1.01 0.00 0.00 36.73 38.39 1fck h TYR 72 CO 0.00 -0.25 -0.79 1.63 -1.05 0.00 0.00 178.16 177.69 1fck n LYS 73 N -5.22 -4.76 -1.24 4.88 5.02 -0.15 -4.79 118.16 111.90 1fck n LYS 73 Ca -0.10 0.53 -0.30 0.00 -2.02 0.00 0.00 58.31 56.42 1fck n LYS 73 Cb 0.30 -5.28 0.11 0.00 -0.02 0.00 0.00 35.03 30.14 1fck n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1fck s LEU 74 N -7.18 2.66 0.02 -0.35 1.43 0.33 -4.00 118.68 111.58 1fck s LEU 74 Ca 0.54 1.65 0.05 0.00 -1.03 0.00 0.00 54.13 55.35 1fck s LEU 74 Cb -0.28 -4.22 -0.02 0.00 0.03 0.00 0.00 46.19 41.70 1fck s LEU 74 CO 0.85 -2.32 -0.15 -0.60 0.23 0.00 0.00 176.35 174.36 1fck s ARG 75 N -4.92 1.11 -0.10 1.70 3.52 0.36 -4.26 118.95 116.36 1fck s ARG 75 Ca 0.62 -0.68 -0.30 0.00 -0.13 0.00 0.00 55.73 55.25 1fck s ARG 75 Cb -0.17 -1.12 -0.03 0.00 -1.56 0.00 0.00 34.95 32.07 1fck s ARG 75 CO 0.56 0.29 1.24 -2.14 -0.81 0.00 0.00 175.30 174.45 1fck s PRO 76 N -0.78 4.29 -0.10 5.12 0.02 -1.26 -0.13 135.00 142.16 1fck s PRO 76 Ca 0.04 1.68 0.10 0.00 0.02 0.00 0.00 61.00 62.84 1fck s PRO 76 Cb -0.07 -3.65 -0.14 0.00 0.02 0.00 0.00 34.50 30.66 1fck s PRO 76 CO 0.00 -0.57 0.06 1.33 -0.33 0.00 0.00 177.00 177.49 1fck n VAL 77 N 4.96 0.67 -3.87 3.83 0.24 0.12 -4.82 118.33 119.47 1fck n VAL 77 Ca 0.12 -0.44 -0.12 0.00 -2.04 0.00 0.00 64.34 61.87 1fck n VAL 77 Cb 0.45 -0.62 -0.14 0.00 -1.47 0.00 0.00 33.84 32.06 1fck n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fck s ALA 78 N -2.31 0.00 0.06 2.33 0.00 -1.19 -0.15 121.76 120.50 1fck s ALA 78 Ca -0.05 -0.02 0.04 0.00 0.00 0.00 0.00 51.96 51.93 1fck s ALA 78 Cb 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1fck s ALA 78 CO 0.45 -0.00 0.01 0.00 0.00 0.00 0.00 175.76 176.21 1fck s ALA 79 N -0.04 3.33 0.41 0.00 0.00 -0.17 -0.29 121.76 124.99 1fck s ALA 79 Ca -0.00 -1.06 -0.22 0.00 0.00 0.00 0.00 51.96 50.68 1fck s ALA 79 Cb -0.00 -1.26 -0.11 0.00 0.00 0.00 0.00 23.12 21.75 1fck s ALA 79 CO -0.00 0.69 0.95 -1.21 0.00 0.00 0.00 175.76 176.20 1fck s GLU 80 N -2.12 4.30 -0.10 0.00 2.02 -0.31 -1.17 118.70 121.32 1fck s GLU 80 Ca 0.25 1.18 0.01 0.00 0.02 0.00 0.00 54.97 56.42 1fck s GLU 80 Cb -0.12 -2.32 -0.02 0.00 0.10 0.00 0.00 34.13 31.77 1fck s GLU 80 CO 0.17 0.03 -0.11 0.08 0.02 0.00 0.00 175.26 175.45 1fck s VAL 81 N -2.04 3.26 0.00 2.63 1.01 -0.09 -4.56 120.40 120.60 1fck s VAL 81 Ca 0.59 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1fck s VAL 81 Cb -0.11 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1fck s VAL 81 CO 0.16 0.55 0.00 -1.22 0.00 0.00 0.00 175.10 174.59 1fck n TYR 82 N 2.96 0.00 -3.93 5.22 4.01 0.50 -1.12 117.16 124.81 1fck n TYR 82 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1fck n TYR 82 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1fck n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fck n GLY 83 N 4.90 0.30 3.53 2.72 0.00 -1.26 -1.88 105.19 113.49 1fck n GLY 83 Ca 0.00 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 1fck n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fck s THR 84 N 0.00 1.57 0.21 2.61 -4.23 -1.20 -4.85 115.64 109.75 1fck s THR 84 Ca 0.00 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.80 1fck s THR 84 Cb 0.00 -2.89 0.31 0.00 1.34 0.00 0.00 72.50 71.25 1fck s THR 84 CO 0.00 0.00 1.96 1.05 -0.54 0.00 0.00 174.62 177.09 1fck h GLU 85 N 1.95 0.00 0.02 3.99 4.11 -1.98 0.12 114.58 122.78 1fck h GLU 85 Ca -0.42 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.01 1fck h GLU 85 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1fck h GLU 85 CO 0.75 0.12 -0.01 0.00 0.07 0.00 0.00 179.01 179.94 1fck h ARG 86 N 0.00 -0.02 -2.56 1.06 2.47 -1.99 -3.38 114.38 109.96 1fck h ARG 86 Ca -0.00 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.12 1fck h ARG 86 Cb 0.55 0.01 -0.39 0.00 -1.65 0.00 0.00 29.97 28.48 1fck h ARG 86 CO 0.02 0.40 -0.87 1.14 0.56 0.00 0.00 179.97 181.22 1fck s GLN 87 N -4.48 1.27 0.73 0.04 -2.07 -1.00 -5.12 119.66 109.02 1fck s GLN 87 Ca -0.15 -2.36 -0.11 0.00 -1.82 0.00 0.00 55.36 50.92 1fck s GLN 87 Cb 0.02 -1.91 0.03 0.00 -1.09 0.00 0.00 33.01 30.06 1fck s GLN 87 CO 0.66 -1.35 1.07 -1.25 -1.32 0.00 0.00 175.29 173.11 1fck s PRO 88 N -0.24 2.62 -0.11 9.60 0.04 0.38 -3.21 135.00 144.07 1fck s PRO 88 Ca 0.30 0.92 -0.24 0.00 0.04 0.00 0.00 61.00 62.02 1fck s PRO 88 Cb -0.00 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.64 1fck s PRO 88 CO -0.18 -1.32 0.58 -0.98 0.04 0.00 0.00 177.00 175.15 1fck s ARG 89 N -5.04 0.85 -0.50 4.56 1.70 -0.79 -4.94 118.95 114.79 1fck s ARG 89 Ca 0.59 0.39 0.02 0.00 -0.47 0.00 0.00 55.73 56.27 1fck s ARG 89 Cb -0.15 0.40 0.52 0.00 -0.57 0.00 0.00 34.95 35.15 1fck s ARG 89 CO 0.55 -0.21 1.80 0.25 -1.08 0.00 0.00 175.30 176.61 1fck n THR 90 N 1.68 3.20 -3.85 4.99 -2.24 -1.26 -0.37 114.28 116.43 1fck n THR 90 Ca -0.17 -2.85 -0.09 0.00 -2.27 0.00 0.00 64.05 58.66 1fck n THR 90 Cb 0.56 -0.86 -0.05 0.00 -2.10 0.00 0.00 70.33 67.89 1fck n THR 90 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1fck s HIS 91 N -3.58 0.12 0.20 4.78 0.00 -1.26 -1.14 115.29 114.41 1fck s HIS 91 Ca 0.58 -0.47 0.01 0.00 -3.00 0.00 0.00 55.06 52.18 1fck s HIS 91 Cb 0.47 0.20 -0.01 0.00 -4.00 0.00 0.00 32.58 29.25 1fck s HIS 91 CO 0.03 -0.85 0.23 2.48 -1.00 0.00 0.00 174.74 175.63 1fck n TYR 92 N -0.29 -0.76 -5.14 0.38 4.11 0.56 -4.75 117.16 111.27 1fck n TYR 92 Ca -0.08 -1.48 -0.32 0.00 -0.00 0.00 0.00 57.90 56.02 1fck n TYR 92 Cb 0.63 0.25 -0.15 0.00 -0.00 0.00 0.00 39.34 40.06 1fck n TYR 92 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 1fck s TYR 93 N -3.33 2.52 -0.39 -3.48 1.51 -1.26 -1.06 117.35 111.87 1fck s TYR 93 Ca 0.20 -0.56 -0.18 0.00 -1.01 0.00 0.00 57.07 55.52 1fck s TYR 93 Cb 0.00 -1.62 0.01 0.00 -0.11 0.00 0.00 41.96 40.24 1fck s TYR 93 CO 0.14 -0.11 0.51 0.00 -1.11 0.00 0.00 175.55 174.99 1fck s ALA 94 N -0.29 3.43 0.39 3.71 0.00 -0.79 -1.51 121.76 126.71 1fck s ALA 94 Ca 0.01 -1.20 0.07 0.00 0.00 0.00 0.00 51.96 50.83 1fck s ALA 94 Cb -0.13 -3.08 -0.08 0.00 0.00 0.00 0.00 23.12 19.83 1fck s ALA 94 CO 0.03 -1.44 0.01 0.14 0.00 0.00 0.00 175.76 174.49 1fck s VAL 95 N 2.41 1.89 -0.25 0.00 -7.23 0.39 -0.22 120.40 117.39 1fck s VAL 95 Ca 0.17 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.33 1fck s VAL 95 Cb -0.16 -2.95 0.03 0.00 0.56 0.00 0.00 36.38 33.86 1fck s VAL 95 CO 0.15 -0.01 -0.07 0.00 -0.31 0.00 0.00 175.10 174.85 1fck s ALA 96 N -2.79 2.67 -0.12 1.32 0.00 -1.26 -2.13 121.76 119.45 1fck s ALA 96 Ca 0.35 -1.50 -0.05 0.00 0.00 0.00 0.00 51.96 50.76 1fck s ALA 96 Cb 0.09 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 1fck s ALA 96 CO 0.18 -0.85 0.07 0.08 0.00 0.00 0.00 175.76 175.23 1fck s VAL 97 N 1.29 4.92 0.06 0.00 1.01 0.20 -0.82 120.40 127.06 1fck s VAL 97 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1fck s VAL 97 Cb -0.17 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1fck s VAL 97 CO -0.05 0.58 -0.02 0.68 0.00 0.00 0.00 175.10 176.29 1fck s VAL 98 N -0.70 0.22 0.39 2.92 -7.23 -0.35 -1.42 120.40 114.24 1fck s VAL 98 Ca 0.12 -1.83 -0.15 0.00 -1.81 0.00 0.00 61.98 58.31 1fck s VAL 98 Cb -0.12 -1.59 -0.09 0.00 0.56 0.00 0.00 36.38 35.15 1fck s VAL 98 CO 0.03 -0.93 0.82 -0.54 -0.31 0.00 0.00 175.10 174.17 1fck s LYS 99 N -3.93 3.99 0.52 4.82 1.02 -1.26 -0.37 119.74 124.52 1fck s LYS 99 Ca 0.09 0.76 -0.20 0.00 0.02 0.00 0.00 55.97 56.64 1fck s LYS 99 Cb 0.08 -2.33 -0.07 0.00 -0.52 0.00 0.00 37.83 34.99 1fck s LYS 99 CO -0.08 0.01 1.09 0.15 -0.92 0.00 0.00 175.35 175.60 1fck s LYS 100 N -3.37 3.55 0.00 1.68 1.02 -0.32 -3.88 119.74 118.43 1fck s LYS 100 Ca 0.56 1.49 0.00 0.00 0.02 0.00 0.00 55.97 58.04 1fck s LYS 100 Cb -0.10 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 1fck s LYS 100 CO 0.21 -0.66 0.00 0.41 -0.92 0.00 0.00 175.35 174.40 1fck n GLY 101 N -0.05 3.36 3.85 -3.33 0.00 -1.26 -4.99 105.19 102.78 1fck n GLY 101 Ca 0.10 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 1fck n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fck s GLY 102 N 0.00 1.67 0.00 -0.02 0.00 -1.25 -5.02 107.32 102.70 1fck s GLY 102 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1fck s GLY 102 CO 0.00 -0.23 0.07 -1.14 0.00 0.00 0.00 173.10 171.80 1fck n SER 103 N -3.80 0.13 -4.73 1.64 3.41 -1.26 -5.09 113.62 103.92 1fck n SER 103 Ca 0.12 -0.57 -0.33 0.00 -0.26 0.00 0.00 58.87 57.82 1fck n SER 103 Cb 0.60 0.13 0.09 0.00 -0.26 0.00 0.00 64.21 64.77 1fck n SER 103 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1fck s PHE 104 N -0.13 2.15 0.54 7.33 -0.12 -1.26 -5.05 117.98 121.45 1fck s PHE 104 Ca 0.00 1.61 0.02 0.00 -0.05 0.00 0.00 56.93 58.51 1fck s PHE 104 Cb 0.00 -3.37 0.02 0.00 -0.63 0.00 0.00 43.02 39.04 1fck s PHE 104 CO 0.00 -2.39 0.18 -0.65 -0.05 0.00 0.00 175.22 172.32 1fck s GLN 105 N -4.09 2.23 0.52 1.99 -1.52 -1.26 -4.98 119.66 112.55 1fck s GLN 105 Ca 0.71 -2.29 0.34 0.00 -1.95 0.00 0.00 55.36 52.18 1fck s GLN 105 Cb -0.26 -1.76 1.87 0.00 -0.22 0.00 0.00 33.01 32.64 1fck s GLN 105 CO 0.46 -0.53 2.05 1.25 -0.25 0.00 0.00 175.29 178.27 1fck h LEU 106 N 1.02 0.00 -2.26 2.90 5.85 -1.89 -0.18 115.31 120.75 1fck h LEU 106 Ca -0.40 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1fck h LEU 106 Cb 1.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1fck h LEU 106 CO 0.66 0.00 0.00 -0.46 -0.34 0.00 0.00 178.44 178.30 1fck n ASN 107 N -2.72 3.26 -2.28 1.25 0.23 -1.26 -4.36 115.26 109.39 1fck n ASN 107 Ca -0.02 -1.95 -0.19 0.00 -0.53 0.00 0.00 54.58 51.89 1fck n ASN 107 Cb 0.07 -0.20 0.02 0.00 -2.08 0.00 0.00 39.78 37.59 1fck n ASN 107 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1fck n GLU 108 N 1.34 3.09 0.00 -3.83 1.02 -0.08 -4.79 120.64 117.38 1fck n GLU 108 Ca 0.17 -4.03 0.12 0.00 -0.02 0.00 0.00 57.16 53.40 1fck n GLU 108 Cb 0.57 -2.09 0.21 0.00 -0.02 0.00 0.00 31.44 30.11 1fck n GLU 108 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1fck n LEU 109 N -0.63 1.21 -4.73 -4.62 4.77 -1.25 -4.59 117.00 107.16 1fck n LEU 109 Ca 0.34 -0.37 -0.42 0.00 -0.03 0.00 0.00 56.01 55.52 1fck n LEU 109 Cb 0.89 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.87 1fck n LEU 109 CO 0.32 0.24 1.16 1.67 -1.33 0.00 0.00 177.39 179.44 1fck n GLN 110 N -0.69 2.52 -0.38 3.23 7.27 -1.26 -1.70 117.38 126.38 1fck n GLN 110 Ca 0.10 0.90 0.00 0.00 0.07 0.00 0.00 57.00 58.06 1fck n GLN 110 Cb 0.38 -2.63 0.00 0.00 2.41 0.00 0.00 30.24 30.39 1fck n GLN 110 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1fck n GLY 111 N 1.86 2.24 3.97 1.69 0.00 0.67 -4.95 105.19 110.66 1fck n GLY 111 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1fck n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fck s LEU 112 N 0.00 3.12 -0.07 0.99 1.43 -0.69 -3.45 118.68 120.01 1fck s LEU 112 Ca 0.00 0.01 -0.10 0.00 -1.03 0.00 0.00 54.13 53.01 1fck s LEU 112 Cb 0.00 -2.74 -0.05 0.00 0.03 0.00 0.00 46.19 43.43 1fck s LEU 112 CO 0.00 -1.38 0.26 -0.54 0.23 0.00 0.00 176.35 174.92 1fck s LYS 113 N -4.94 3.67 0.09 1.70 1.02 -1.26 -1.65 119.74 118.38 1fck s LYS 113 Ca 0.60 0.10 0.07 0.00 0.02 0.00 0.00 55.97 56.76 1fck s LYS 113 Cb -0.09 -3.21 -0.03 0.00 -0.52 0.00 0.00 37.83 33.97 1fck s LYS 113 CO 0.41 0.72 -0.18 -1.54 -0.92 0.00 0.00 175.35 173.83 1fck s SER 114 N -0.98 2.23 -0.21 2.83 1.04 -0.93 -0.42 113.70 117.26 1fck s SER 114 Ca 0.19 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1fck s SER 114 Cb -0.14 -0.11 0.02 0.00 0.10 0.00 0.00 66.02 65.90 1fck s SER 114 CO 0.08 0.00 -0.15 0.00 0.98 0.00 0.00 173.24 174.15 1fck s HIS 116 N 1.28 2.64 0.24 0.00 3.76 -0.35 -1.34 115.29 121.53 1fck s HIS 116 Ca 0.02 -0.21 -0.02 0.00 -0.15 0.00 0.00 55.06 54.70 1fck s HIS 116 Cb -0.15 -1.42 0.28 0.00 1.11 0.00 0.00 32.58 32.41 1fck s HIS 116 CO -0.09 0.37 1.69 1.79 -0.85 0.00 0.00 174.74 177.65 1fck h THR 117 N 3.53 1.26 0.00 1.30 1.35 -1.73 -3.39 112.91 115.22 1fck h THR 117 Ca -0.49 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.17 1fck h THR 117 Cb 1.16 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1fck h THR 117 CO 0.49 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.78 1fck n GLY 118 N -0.41 2.54 3.74 5.82 0.00 -1.26 -1.32 105.19 114.30 1fck n GLY 118 Ca 0.01 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 1fck n GLY 118 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fck s LEU 119 N 0.00 4.39 0.00 0.99 2.96 0.10 -2.63 118.68 124.48 1fck s LEU 119 Ca 0.00 2.62 0.00 0.00 -0.22 0.00 0.00 54.13 56.53 1fck s LEU 119 Cb 0.00 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.07 1fck s LEU 119 CO 0.00 -0.70 0.00 0.54 -1.32 0.00 0.00 176.35 174.87 1fck n ARG 120 N 2.63 -0.16 -3.13 1.98 1.74 -1.26 -5.00 116.66 113.45 1fck n ARG 120 Ca 0.08 0.04 -0.32 0.00 -0.77 0.00 0.00 57.85 56.88 1fck n ARG 120 Cb 0.40 -3.08 -0.05 0.00 -1.02 0.00 0.00 32.46 28.71 1fck n ARG 120 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1fck s ARG 121 N -0.25 3.89 0.00 5.56 0.52 -1.08 -4.12 118.95 123.46 1fck s ARG 121 Ca 0.00 0.50 0.00 0.00 -0.52 0.00 0.00 55.73 55.71 1fck s ARG 121 Cb 0.00 -2.47 0.00 0.00 0.52 0.00 0.00 34.95 33.00 1fck s ARG 121 CO 0.00 0.14 0.78 2.41 0.02 0.00 0.00 175.30 178.66 1fck n THR 122 N -0.59 0.00 -0.07 0.02 -1.04 -1.26 -0.22 114.28 111.12 1fck n THR 122 Ca 0.02 1.28 -0.07 0.00 -2.04 0.00 0.00 64.05 63.25 1fck n THR 122 Cb 0.53 -2.11 0.12 0.00 -1.82 0.00 0.00 70.33 67.05 1fck n THR 122 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fck h ALA 123 N -1.81 0.94 0.00 2.41 0.00 -1.91 0.09 119.26 118.99 1fck h ALA 123 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1fck h ALA 123 Cb 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1fck h ALA 123 CO 0.00 0.61 -0.13 0.78 0.00 0.00 0.00 179.25 180.51 1fck h GLY 124 N 0.98 0.00 0.00 0.00 0.00 -1.64 -3.38 103.07 99.03 1fck h GLY 124 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1fck h GLY 124 CO 0.05 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.46 1fck n TRP 125 N -3.08 -1.74 -0.14 5.60 -0.00 0.49 -4.19 117.44 114.39 1fck n TRP 125 Ca 0.03 0.31 -0.03 0.00 -0.00 0.00 0.00 57.50 57.81 1fck n TRP 125 Cb 0.55 0.55 0.04 0.00 -0.00 0.00 0.00 31.31 32.46 1fck n TRP 125 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1fck h ASN 126 N 0.00 -0.24 0.32 5.87 2.35 -0.44 -1.36 115.58 122.08 1fck h ASN 126 Ca 0.00 0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1fck h ASN 126 Cb 0.00 0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1fck h ASN 126 CO 0.00 -0.08 -0.15 0.58 -1.65 0.00 0.00 177.43 176.13 1fck h VAL 127 N 0.09 0.67 -0.30 2.81 2.07 -1.20 -2.10 116.25 118.29 1fck h VAL 127 Ca 0.23 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1fck h VAL 127 Cb 0.34 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1fck h VAL 127 CO -0.40 0.11 0.16 1.55 0.02 0.00 0.00 177.57 179.01 1fck h PRO 128 N -0.77 0.43 -0.83 1.57 0.13 -1.77 0.59 132.00 131.35 1fck h PRO 128 Ca -0.04 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 1fck h PRO 128 Cb 0.51 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.52 1fck h PRO 128 CO 0.07 0.38 0.49 0.82 -0.23 0.00 0.00 178.00 179.53 1fck h ILE 129 N 0.36 1.23 -0.52 -3.56 1.08 -1.35 0.15 117.51 114.91 1fck h ILE 129 Ca 0.11 -0.53 -0.07 0.00 -0.39 0.00 0.00 64.86 63.98 1fck h ILE 129 Cb 0.08 0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 33.89 1fck h ILE 129 CO -0.02 0.25 0.07 1.23 -0.69 0.00 0.00 178.15 178.99 1fck h GLY 130 N 1.17 0.94 1.79 5.37 0.00 -1.02 -0.97 103.07 110.35 1fck h GLY 130 Ca 0.30 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 1fck h GLY 130 CO -0.05 0.59 -0.19 -0.84 0.00 0.00 0.00 176.54 176.05 1fck h THR 131 N 0.75 1.21 -0.01 4.70 2.02 -0.09 -3.07 112.91 118.43 1fck h THR 131 Ca 0.16 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1fck h THR 131 Cb 0.42 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1fck h THR 131 CO 0.01 0.30 -0.40 0.18 0.37 0.00 0.00 175.52 175.98 1fck n LEU 132 N -4.22 1.34 -0.33 2.58 4.77 0.46 -4.56 117.00 117.04 1fck n LEU 132 Ca -0.01 -0.43 0.16 0.00 -0.03 0.00 0.00 56.01 55.70 1fck n LEU 132 Cb 0.32 -0.08 0.33 0.00 -2.33 0.00 0.00 43.42 41.65 1fck n LEU 132 CO 0.39 0.26 0.87 -0.09 -1.33 0.00 0.00 177.39 177.49 1fck h ARG 133 N 1.47 0.05 0.00 3.23 1.12 -1.08 0.24 114.38 119.42 1fck h ARG 133 Ca 0.00 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1fck h ARG 133 Cb 0.59 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.54 1fck h ARG 133 CO 0.00 0.03 0.00 -0.35 -3.11 0.00 0.00 179.97 176.54 1fck n PRO 134 N -5.39 0.06 0.00 0.20 -0.04 -1.26 -1.55 135.00 127.01 1fck n PRO 134 Ca 0.25 0.28 0.07 0.00 -0.04 0.00 0.00 63.50 64.06 1fck n PRO 134 Cb 0.81 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.71 1fck n PRO 134 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1fck n PHE 135 N -1.41 0.00 0.64 0.54 3.72 0.83 -4.57 117.46 117.22 1fck n PHE 135 Ca 0.03 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.56 1fck n PHE 135 Cb 0.09 0.00 0.45 0.00 -0.94 0.00 0.00 39.48 39.08 1fck n PHE 135 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1fck n LEU 136 N -1.07 0.64 -1.62 4.37 4.77 -0.60 -4.90 117.00 118.61 1fck n LEU 136 Ca 0.04 0.58 -0.15 0.00 -0.03 0.00 0.00 56.01 56.45 1fck n LEU 136 Cb 0.25 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 40.89 1fck n LEU 136 CO 0.27 -0.22 -0.15 0.59 -1.33 0.00 0.00 177.39 176.55 1fck n ASN 137 N -2.12 -4.01 -4.77 -1.43 4.13 -1.26 -4.88 115.26 100.92 1fck n ASN 137 Ca 0.05 0.32 -0.41 0.00 1.68 0.00 0.00 54.58 56.23 1fck n ASN 137 Cb 0.37 -3.63 -0.02 0.00 -1.54 0.00 0.00 39.78 34.96 1fck n ASN 137 CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 1fck s TRP 138 N -2.35 3.10 -2.67 3.10 -0.00 -1.26 -4.91 118.94 113.95 1fck s TRP 138 Ca 0.00 1.41 0.24 0.00 -0.00 0.00 0.00 56.10 57.75 1fck s TRP 138 Cb 0.00 -3.65 0.35 0.00 -0.00 0.00 0.00 33.47 30.18 1fck s TRP 138 CO 0.00 -1.79 1.36 -2.37 -0.00 0.00 0.00 176.95 174.15 1fck n THR 139 N 1.00 0.31 0.00 5.86 5.66 -1.26 -4.93 114.28 120.92 1fck n THR 139 Ca 0.01 -0.65 0.00 0.00 -3.05 0.00 0.00 64.05 60.36 1fck n THR 139 Cb 0.42 1.16 0.00 0.00 -1.55 0.00 0.00 70.33 70.36 1fck n THR 139 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1fck n GLY 140 N 1.45 -0.67 3.41 1.09 0.00 -1.26 -4.85 105.19 104.36 1fck n GLY 140 Ca 0.17 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 1fck n GLY 140 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1fck n PRO 141 N -0.70 -0.11 -0.02 1.61 -0.02 -1.26 -2.67 135.00 131.83 1fck n PRO 141 Ca 0.00 0.01 0.05 0.00 -2.02 0.00 0.00 63.50 61.54 1fck n PRO 141 Cb 0.00 -1.81 0.25 0.00 -0.02 0.00 0.00 33.50 31.92 1fck n PRO 141 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1fck n PRO 142 N -1.24 1.11 -2.15 0.52 -0.04 -1.26 -5.00 135.00 126.94 1fck n PRO 142 Ca 0.07 -0.17 -0.43 0.00 -0.04 0.00 0.00 63.50 62.94 1fck n PRO 142 Cb 0.53 -1.16 -0.02 0.00 -0.04 0.00 0.00 33.50 32.80 1fck n PRO 142 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1fck s GLU 143 N -1.95 3.51 0.25 0.54 2.12 -1.09 -4.94 118.70 117.13 1fck s GLU 143 Ca 0.15 1.29 -0.30 0.00 0.36 0.00 0.00 54.97 56.47 1fck s GLU 143 Cb 0.07 -4.10 -0.14 0.00 0.26 0.00 0.00 34.13 30.21 1fck s GLU 143 CO 0.11 -1.65 1.11 -2.30 -0.54 0.00 0.00 175.26 171.99 1fck n PRO 144 N 8.16 1.39 0.32 4.30 -0.02 -1.26 -4.65 135.00 143.24 1fck n PRO 144 Ca 0.20 0.49 0.21 0.00 -2.02 0.00 0.00 63.50 62.38 1fck n PRO 144 Cb 0.47 -1.94 1.08 0.00 -0.02 0.00 0.00 33.50 33.09 1fck n PRO 144 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1fck h ILE 145 N 2.33 0.00 -0.69 4.25 2.10 -1.92 -2.05 117.51 121.53 1fck h ILE 145 Ca -0.41 -0.14 0.02 0.00 1.08 0.00 0.00 64.86 65.40 1fck h ILE 145 Cb 1.33 1.14 -0.04 0.00 -1.09 0.00 0.00 36.82 38.17 1fck h ILE 145 CO 0.65 0.00 0.44 -0.33 -1.08 0.00 0.00 178.15 177.84 1fck h GLU 146 N 0.00 0.86 -0.81 2.19 3.07 -1.98 -2.00 114.58 115.91 1fck h GLU 146 Ca -0.00 -0.05 0.08 0.00 -0.50 0.00 0.00 59.36 58.89 1fck h GLU 146 Cb 0.14 -0.19 -0.07 0.00 -0.84 0.00 0.00 28.75 27.79 1fck h GLU 146 CO 0.00 0.57 0.47 0.00 -1.40 0.00 0.00 179.01 178.65 1fck h ALA 147 N 1.28 1.14 -0.52 3.43 0.00 -1.72 0.26 119.26 123.14 1fck h ALA 147 Ca 0.27 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1fck h ALA 147 Cb -0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1fck h ALA 147 CO -0.09 0.12 0.18 0.00 0.00 0.00 0.00 179.25 179.46 1fck h ALA 148 N 1.43 0.68 -0.24 0.00 0.00 -1.50 -2.22 119.26 117.41 1fck h ALA 148 Ca 0.38 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1fck h ALA 148 Cb 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1fck h ALA 148 CO -0.23 0.32 -0.24 0.28 0.00 0.00 0.00 179.25 179.39 1fck h VAL 149 N 0.71 1.26 0.00 0.00 2.07 -0.58 -1.39 116.25 118.31 1fck h VAL 149 Ca 0.17 -1.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 1fck h VAL 149 Cb 0.25 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1fck h VAL 149 CO -0.01 0.39 -0.17 0.00 0.02 0.00 0.00 177.57 177.80 1fck h ALA 150 N 1.35 1.61 0.00 1.67 0.00 -0.10 -2.11 119.26 121.69 1fck h ALA 150 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1fck h ALA 150 Cb 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1fck h ALA 150 CO 0.05 0.21 -1.02 0.54 0.00 0.00 0.00 179.25 179.03 1fck n ARG 151 N -4.18 0.54 0.01 0.00 1.74 -0.81 -4.40 116.66 109.57 1fck n ARG 151 Ca -0.02 0.09 -0.10 0.00 -0.77 0.00 0.00 57.85 57.05 1fck n ARG 151 Cb 0.24 -1.77 -0.08 0.00 -1.02 0.00 0.00 32.46 29.83 1fck n ARG 151 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1fck h PHE 152 N 0.00 -0.12 -3.25 -1.55 3.57 -0.60 -3.45 116.94 111.54 1fck h PHE 152 Ca 0.00 -0.00 -0.57 0.00 3.53 0.00 0.00 57.97 60.93 1fck h PHE 152 Cb 0.95 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1fck h PHE 152 CO 0.00 0.36 -0.09 -0.06 -2.23 0.00 0.00 178.31 176.29 1fck s PHE 153 N -2.85 3.68 0.49 0.41 0.08 -1.04 -0.24 117.98 118.51 1fck s PHE 153 Ca -0.12 1.10 0.22 0.00 0.12 0.00 0.00 56.93 58.26 1fck s PHE 153 Cb -0.00 -2.39 1.40 0.00 -0.57 0.00 0.00 43.02 41.46 1fck s PHE 153 CO 0.44 0.51 2.12 0.66 -0.10 0.00 0.00 175.22 178.85 1fck h SER 154 N 3.99 0.00 -4.19 1.36 4.64 -1.34 -3.46 113.55 114.56 1fck h SER 154 Ca -0.49 0.00 0.28 0.00 -0.47 0.00 0.00 61.79 61.11 1fck h SER 154 Cb 1.20 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.10 1fck h SER 154 CO 0.65 0.08 0.88 0.00 -0.87 0.00 0.00 176.83 177.56 1fck s ALA 155 N -4.60 -2.13 0.18 5.18 0.00 -1.26 -5.04 121.76 114.10 1fck s ALA 155 Ca -0.04 1.70 -0.22 0.00 0.00 0.00 0.00 51.96 53.40 1fck s ALA 155 Cb 0.15 -0.21 0.08 0.00 0.00 0.00 0.00 23.12 23.14 1fck s ALA 155 CO 0.62 -0.58 1.05 -1.13 0.00 0.00 0.00 175.76 175.71 1fck n SER 156 N -0.07 -1.72 -3.88 0.00 3.41 -0.93 -2.18 113.62 108.24 1fck n SER 156 Ca 0.02 -1.89 -0.30 0.00 -0.26 0.00 0.00 58.87 56.45 1fck n SER 156 Cb 0.58 2.80 -0.16 0.00 -0.26 0.00 0.00 64.21 67.16 1fck n SER 156 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fck n VAL 158 N 4.77 1.22 -1.45 0.00 0.31 0.27 -1.22 118.33 122.24 1fck n VAL 158 Ca -0.11 -4.66 -0.56 0.00 -0.01 0.00 0.00 64.34 59.00 1fck n VAL 158 Cb 0.45 -2.10 -0.07 0.00 -0.91 0.00 0.00 33.84 31.21 1fck n VAL 158 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1fck n PRO 159 N 1.99 0.00 0.00 5.55 -0.02 -1.26 -0.40 135.00 140.86 1fck n PRO 159 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1fck n PRO 159 Cb 0.38 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 1fck n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fck n GLY 160 N 1.53 3.21 3.74 -1.23 0.00 0.53 -0.73 105.19 112.25 1fck n GLY 160 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1fck n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fck s ALA 161 N -2.57 2.40 -0.46 4.61 0.00 0.47 -4.90 121.76 121.31 1fck s ALA 161 Ca 0.00 0.97 -0.28 0.00 0.00 0.00 0.00 51.96 52.64 1fck s ALA 161 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1fck s ALA 161 CO 0.00 -1.42 1.54 0.34 0.00 0.00 0.00 175.76 176.22 1fck s ASP 162 N -1.76 6.08 0.31 0.00 -1.08 -1.26 -4.88 116.67 114.08 1fck s ASP 162 Ca 0.76 0.72 0.02 0.00 -0.52 0.00 0.00 52.55 53.53 1fck s ASP 162 Cb -0.30 -2.54 0.57 0.00 -1.46 0.00 0.00 42.92 39.19 1fck s ASP 162 CO 0.38 -1.66 1.91 0.50 0.52 0.00 0.00 175.17 176.82 1fck h LYS 163 N 11.67 0.95 -0.13 4.34 3.64 -1.91 0.30 116.57 135.44 1fck h LYS 163 Ca -0.28 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 58.98 1fck h LYS 163 Cb 1.12 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1fck h LYS 163 CO 1.11 0.63 -0.16 0.78 -2.27 0.00 0.00 179.45 179.54 1fck h GLY 164 N 0.98 0.36 1.23 5.01 0.00 -1.97 -2.00 103.07 106.68 1fck h GLY 164 Ca 0.39 -0.39 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 1fck h GLY 164 CO -0.15 0.35 -1.42 1.46 0.00 0.00 0.00 176.54 176.78 1fck h GLN 165 N -0.06 0.55 -2.21 4.80 4.20 -1.93 -3.39 115.11 117.07 1fck h GLN 165 Ca 0.02 -0.90 -0.57 0.00 0.06 0.00 0.00 58.65 57.26 1fck h GLN 165 Cb 0.70 0.33 -0.42 0.00 0.30 0.00 0.00 27.48 28.39 1fck h GLN 165 CO 0.04 1.43 -0.76 1.19 -0.67 0.00 0.00 178.83 180.05 1fck n PHE 166 N -3.75 3.11 0.00 2.96 3.72 0.11 -4.88 117.46 118.72 1fck n PHE 166 Ca -0.16 -3.97 0.19 0.00 -0.05 0.00 0.00 57.45 53.46 1fck n PHE 166 Cb 1.07 -0.48 0.66 0.00 -0.94 0.00 0.00 39.48 39.80 1fck n PHE 166 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1fck h PRO 167 N 3.14 0.05 0.00 -1.08 0.13 -1.48 0.10 132.00 132.86 1fck h PRO 167 Ca 0.13 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 1fck h PRO 167 Cb 0.62 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 1fck h PRO 167 CO 0.75 0.03 -0.05 -0.97 -0.23 0.00 0.00 178.00 177.53 1fck h ASN 168 N 0.05 0.00 0.55 1.44 -1.24 -1.90 -0.58 115.58 113.91 1fck h ASN 168 Ca 0.24 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.25 1fck h ASN 168 Cb 0.90 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.95 1fck h ASN 168 CO -0.01 0.05 -0.15 0.18 -1.29 0.00 0.00 177.43 176.20 1fck n LEU 169 N -3.43 0.34 -0.00 0.34 4.77 0.35 -2.20 117.00 117.18 1fck n LEU 169 Ca -0.02 0.14 0.02 0.00 -0.03 0.00 0.00 56.01 56.11 1fck n LEU 169 Cb 0.17 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1fck n LEU 169 CO 0.26 0.07 -0.21 0.00 -1.33 0.00 0.00 177.39 176.18 1fck h ARG 171 N 0.00 0.15 0.00 0.00 2.43 -1.01 0.21 114.38 116.16 1fck h ARG 171 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1fck h ARG 171 Cb 0.11 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1fck h ARG 171 CO 0.00 0.10 -0.41 -0.07 -1.51 0.00 0.00 179.97 178.08 1fck h LEU 172 N 0.15 0.00 -9.82 3.80 3.38 -1.52 -3.47 115.31 107.82 1fck h LEU 172 Ca 0.78 -0.07 -0.57 0.00 0.09 0.00 0.00 57.88 58.11 1fck h LEU 172 Cb 1.93 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.83 1fck h LEU 172 CO -0.70 0.04 0.18 0.00 0.09 0.00 0.00 178.44 178.05 1fck n ALA 174 N -1.44 2.41 -1.76 0.00 0.00 -1.26 -4.90 120.51 113.55 1fck n ALA 174 Ca 0.13 -0.85 -0.39 0.00 0.00 0.00 0.00 53.44 52.33 1fck n ALA 174 Cb 0.46 -0.65 0.01 0.00 0.00 0.00 0.00 19.45 19.27 1fck n ALA 174 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1fck s GLY 175 N -1.34 2.89 -0.01 0.00 0.00 -1.26 -4.77 107.32 102.84 1fck s GLY 175 Ca 0.27 1.26 -0.09 0.00 0.00 0.00 0.00 44.72 46.16 1fck s GLY 175 CO 0.24 1.82 0.30 -0.51 0.00 0.00 0.00 173.10 174.95 1fck s THR 176 N -1.30 5.24 0.00 0.90 -4.23 -1.26 -3.76 115.64 111.23 1fck s THR 176 Ca 0.62 0.37 0.00 0.00 -1.18 0.00 0.00 61.69 61.51 1fck s THR 176 Cb -0.38 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 69.87 1fck s THR 176 CO 0.48 0.45 0.00 0.61 -0.54 0.00 0.00 174.62 175.62 1fck n GLY 177 N 1.40 1.59 0.07 3.99 0.00 -1.26 -2.34 105.19 108.64 1fck n GLY 177 Ca -0.13 -0.62 0.15 0.00 0.00 0.00 0.00 46.02 45.42 1fck n GLY 177 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1fck n GLU 178 N 12.90 1.10 -0.00 1.61 2.13 -1.26 -3.17 120.64 133.94 1fck n GLU 178 Ca 0.00 -0.15 0.14 0.00 0.66 0.00 0.00 57.16 57.82 1fck n GLU 178 Cb 0.00 -1.48 0.59 0.00 0.27 0.00 0.00 31.44 30.83 1fck n GLU 178 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1fck n ASN 179 N -0.80 1.22 -4.69 4.31 4.13 -0.99 -4.71 115.26 113.73 1fck n ASN 179 Ca 0.22 -1.42 -0.42 0.00 1.68 0.00 0.00 54.58 54.64 1fck n ASN 179 Cb 0.14 -0.01 -0.03 0.00 -1.54 0.00 0.00 39.78 38.35 1fck n ASN 179 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1fck s LYS 180 N -1.99 4.36 -0.46 3.52 2.20 -1.19 -2.26 119.74 123.92 1fck s LYS 180 Ca 0.39 1.72 0.00 0.00 -0.36 0.00 0.00 55.97 57.72 1fck s LYS 180 Cb 0.21 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1fck s LYS 180 CO 0.34 -0.43 0.00 0.00 -0.36 0.00 0.00 175.35 174.90 1fck s ALA 182 N -2.10 3.37 -1.42 0.00 0.00 -0.96 -0.35 121.76 120.30 1fck s ALA 182 Ca 0.00 0.89 -0.09 0.00 0.00 0.00 0.00 51.96 52.76 1fck s ALA 182 Cb 0.00 -3.33 0.06 0.00 0.00 0.00 0.00 23.12 19.85 1fck s ALA 182 CO 0.00 -0.19 2.41 0.34 0.00 0.00 0.00 175.76 178.32 1fck n PHE 183 N 1.00 2.76 -3.89 0.00 7.35 -1.26 -4.36 117.46 119.06 1fck n PHE 183 Ca -0.00 -2.91 -0.04 0.00 -0.76 0.00 0.00 57.45 53.73 1fck n PHE 183 Cb 0.45 -2.15 0.02 0.00 0.35 0.00 0.00 39.48 38.15 1fck n PHE 183 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1fck s SER 184 N 1.39 0.02 0.64 -2.13 1.04 -1.26 -4.98 113.70 108.42 1fck s SER 184 Ca 0.54 -0.77 0.42 0.00 0.48 0.00 0.00 55.95 56.62 1fck s SER 184 Cb 0.16 0.55 2.17 0.00 0.10 0.00 0.00 66.02 69.00 1fck s SER 184 CO -0.06 -1.10 2.28 0.28 0.98 0.00 0.00 173.24 175.62 1fck h SER 185 N 2.00 0.00 -0.62 7.02 0.02 -1.96 -2.08 113.55 117.93 1fck h SER 185 Ca -0.28 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.69 1fck h SER 185 Cb 1.22 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.73 1fck h SER 185 CO 0.38 0.00 0.41 1.56 -1.14 0.00 0.00 176.83 178.04 1fck h GLN 186 N 0.00 0.75 -5.87 3.45 1.08 -1.91 -3.35 115.11 109.26 1fck h GLN 186 Ca -0.00 -0.05 -0.61 0.00 -1.45 0.00 0.00 58.65 56.54 1fck h GLN 186 Cb 0.12 -0.17 -0.12 0.00 -0.05 0.00 0.00 27.48 27.26 1fck h GLN 186 CO 0.00 0.50 0.52 -2.00 -0.95 0.00 0.00 178.83 176.90 1fck s GLU 187 N -5.67 3.37 0.62 1.46 2.56 -0.78 -4.71 118.70 115.54 1fck s GLU 187 Ca -0.10 -0.19 0.28 0.00 0.00 0.00 0.00 54.97 54.96 1fck s GLU 187 Cb 0.18 -4.02 1.48 0.00 2.00 0.00 0.00 34.13 33.77 1fck s GLU 187 CO 0.76 -1.39 1.87 -1.00 -0.56 0.00 0.00 175.26 174.94 1fck h PRO 188 N 9.22 0.00 -0.75 4.30 0.13 -1.84 -1.32 132.00 141.74 1fck h PRO 188 Ca -0.26 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.69 1fck h PRO 188 Cb 1.08 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.09 1fck h PRO 188 CO 1.06 0.00 0.24 0.66 -0.23 0.00 0.00 178.00 179.72 1fck n TYR 189 N -3.37 2.38 -3.22 1.56 4.01 -1.26 -4.24 117.16 113.02 1fck n TYR 189 Ca 0.04 -1.11 -0.33 0.00 -0.16 0.00 0.00 57.90 56.34 1fck n TYR 189 Cb 0.59 -0.66 -0.06 0.00 -0.31 0.00 0.00 39.34 38.90 1fck n TYR 189 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1fck s PHE 190 N -2.89 3.45 0.12 -0.72 5.36 -0.50 -2.51 117.98 120.29 1fck s PHE 190 Ca 0.54 1.14 0.00 0.00 -0.96 0.00 0.00 56.93 57.65 1fck s PHE 190 Cb 0.43 -2.46 0.00 0.00 -0.34 0.00 0.00 43.02 40.64 1fck s PHE 190 CO 0.14 0.20 0.00 0.45 -1.46 0.00 0.00 175.22 174.55 1fck n SER 191 N -0.04 -6.24 -0.03 6.13 2.88 -0.44 -2.00 113.62 113.88 1fck n SER 191 Ca 0.01 0.55 -0.08 0.00 -1.33 0.00 0.00 58.87 58.02 1fck n SER 191 Cb 0.53 -1.56 -0.02 0.00 -0.75 0.00 0.00 64.21 62.40 1fck n SER 191 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1fck h TYR 192 N -0.48 -0.29 -0.38 0.66 0.05 -1.93 -0.11 116.97 114.50 1fck h TYR 192 Ca 0.01 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 1fck h TYR 192 Cb 0.47 0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.35 1fck h TYR 192 CO 0.00 -0.18 0.01 0.77 -1.05 0.00 0.00 178.16 177.71 1fck h SER 193 N -0.11 0.64 0.44 3.88 0.02 -1.96 -1.43 113.55 115.04 1fck h SER 193 Ca 0.11 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 1fck h SER 193 Cb 0.27 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1fck h SER 193 CO -0.26 0.79 -0.44 1.23 -1.14 0.00 0.00 176.83 177.01 1fck h GLY 194 N 0.48 -1.06 0.94 -3.77 0.00 -1.12 0.32 103.07 98.86 1fck h GLY 194 Ca 0.11 0.51 0.12 0.00 0.00 0.00 0.00 47.33 48.06 1fck h GLY 194 CO 0.02 -0.34 0.42 0.00 0.00 0.00 0.00 176.54 176.64 1fck h ALA 195 N -0.60 2.11 -0.22 3.60 0.00 -0.71 -0.04 119.26 123.40 1fck h ALA 195 Ca -0.04 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1fck h ALA 195 Cb 0.79 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1fck h ALA 195 CO -0.06 -0.27 -0.46 0.35 0.00 0.00 0.00 179.25 178.81 1fck h PHE 196 N 0.35 0.88 -0.84 0.00 3.57 -0.34 -2.96 116.94 117.60 1fck h PHE 196 Ca 0.30 -0.32 0.02 0.00 3.53 0.00 0.00 57.97 61.49 1fck h PHE 196 Cb 0.69 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 1fck h PHE 196 CO -0.00 1.11 0.55 -0.22 -2.23 0.00 0.00 178.31 177.52 1fck h LYS 197 N 0.40 1.08 -0.64 1.11 3.64 0.97 0.04 116.57 123.18 1fck h LYS 197 Ca 0.00 -0.07 0.16 0.00 -1.27 0.00 0.00 60.65 59.48 1fck h LYS 197 Cb 1.06 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 1fck h LYS 197 CO 0.10 0.72 0.45 0.00 -2.27 0.00 0.00 179.45 178.44 1fck h LEU 199 N 0.13 0.56 -0.49 0.00 5.85 -0.87 -2.38 115.31 118.11 1fck h LEU 199 Ca 0.31 -0.88 -0.02 0.00 0.84 0.00 0.00 57.88 58.13 1fck h LEU 199 Cb 1.03 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1fck h LEU 199 CO -0.04 1.39 0.24 0.03 -0.34 0.00 0.00 178.44 179.72 1fck h ARG 200 N -0.18 0.70 0.00 1.25 3.08 -0.02 -2.16 114.38 117.05 1fck h ARG 200 Ca -0.14 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1fck h ARG 200 Cb 1.62 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.54 1fck h ARG 200 CO 0.16 0.59 0.00 -0.25 -1.07 0.00 0.00 179.97 179.40 1fck n ASP 201 N -4.62 0.29 0.00 7.04 8.00 0.37 -4.84 116.55 122.79 1fck n ASP 201 Ca 0.02 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.11 1fck n ASP 201 Cb 0.11 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 1fck n ASP 201 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fck n GLY 202 N -0.49 0.85 0.30 0.44 0.00 -0.81 -4.92 105.19 100.57 1fck n GLY 202 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1fck n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fck h ALA 203 N 0.00 2.01 -2.20 4.61 0.00 -1.67 -3.44 119.26 118.57 1fck h ALA 203 Ca 0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 54.51 1fck h ALA 203 Cb 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 17.61 1fck h ALA 203 CO 0.00 -0.06 -0.64 0.20 0.00 0.00 0.00 179.25 178.76 1fck s GLY 204 N -3.94 1.71 -0.06 0.00 0.00 -0.96 -4.85 107.32 99.22 1fck s GLY 204 Ca -0.06 -1.85 0.20 0.00 0.00 0.00 0.00 44.72 43.00 1fck s GLY 204 CO 0.70 -1.68 0.36 1.22 0.00 0.00 0.00 173.10 173.71 1fck n ASP 205 N -0.48 0.37 -3.76 1.64 9.92 0.44 -4.69 116.55 119.98 1fck n ASP 205 Ca -0.03 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.09 1fck n ASP 205 Cb 0.65 1.72 -0.15 0.00 -0.64 0.00 0.00 41.12 42.70 1fck n ASP 205 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1fck s VAL 206 N -3.21 -0.05 -0.08 2.53 0.11 -0.91 -4.46 120.40 114.33 1fck s VAL 206 Ca -0.08 0.19 0.01 0.00 -2.93 0.00 0.00 61.98 59.17 1fck s VAL 206 Cb 0.11 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.77 1fck s VAL 206 CO 0.83 0.08 -0.10 0.00 -3.33 0.00 0.00 175.10 172.57 1fck s ALA 207 N 1.07 2.81 -0.44 1.54 0.00 -0.51 0.44 121.76 126.68 1fck s ALA 207 Ca -0.09 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 50.90 1fck s ALA 207 Cb -0.12 -1.16 0.11 0.00 0.00 0.00 0.00 23.12 21.96 1fck s ALA 207 CO -0.04 0.49 0.28 -0.06 0.00 0.00 0.00 175.76 176.42 1fck s PHE 208 N -0.51 3.50 0.00 0.00 0.08 -0.45 -0.63 117.98 119.97 1fck s PHE 208 Ca 0.07 -2.12 0.00 0.00 0.12 0.00 0.00 56.93 55.00 1fck s PHE 208 Cb -0.12 -3.36 0.00 0.00 -0.57 0.00 0.00 43.02 38.97 1fck s PHE 208 CO 0.02 -0.98 0.00 0.44 -0.10 0.00 0.00 175.22 174.60 1fck n ILE 209 N 4.76 0.00 -3.08 0.64 -5.35 -0.91 -3.61 119.36 111.82 1fck n ILE 209 Ca -0.05 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.22 1fck n ILE 209 Cb 0.41 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 38.32 1fck n ILE 209 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1fck s ARG 210 N -1.08 2.98 0.47 6.28 1.70 -1.26 -0.46 118.95 127.58 1fck s ARG 210 Ca 0.00 -0.74 0.14 0.00 -0.47 0.00 0.00 55.73 54.66 1fck s ARG 210 Cb 0.00 -2.64 1.07 0.00 -0.57 0.00 0.00 34.95 32.81 1fck s ARG 210 CO 0.00 -0.24 2.04 1.05 -1.08 0.00 0.00 175.30 177.07 1fck h GLU 211 N 0.51 0.04 0.01 3.89 9.09 -1.65 -3.15 114.58 123.32 1fck h GLU 211 Ca -0.45 -0.01 -0.19 0.00 0.05 0.00 0.00 59.36 58.76 1fck h GLU 211 Cb 1.26 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 28.33 1fck h GLU 211 CO 0.54 0.14 -0.89 0.66 0.05 0.00 0.00 179.01 179.51 1fck h SER 212 N 0.04 0.10 -0.94 3.06 4.64 -1.95 -3.38 113.55 115.11 1fck h SER 212 Ca 0.01 -0.08 0.15 0.00 -0.47 0.00 0.00 61.79 61.40 1fck h SER 212 Cb 0.20 -0.03 -0.16 0.00 -0.31 0.00 0.00 62.40 62.10 1fck h SER 212 CO 0.01 0.94 -0.35 0.41 -0.87 0.00 0.00 176.83 176.98 1fck n THR 213 N -3.55 -0.48 -0.11 2.95 -1.04 -1.19 -0.14 114.28 110.71 1fck n THR 213 Ca -0.02 2.20 0.06 0.00 -2.04 0.00 0.00 64.05 64.25 1fck n THR 213 Cb 0.83 -2.94 0.38 0.00 -1.82 0.00 0.00 70.33 66.79 1fck n THR 213 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1fck h VAL 214 N 0.00 1.06 0.00 12.58 2.07 -1.81 -0.95 116.25 129.20 1fck h VAL 214 Ca 0.35 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.54 1fck h VAL 214 Cb 0.59 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1fck h VAL 214 CO -0.94 0.12 -0.48 -0.26 0.02 0.00 0.00 177.57 176.03 1fck h PHE 215 N 0.68 0.00 0.15 1.57 0.04 -0.78 -2.53 116.94 116.06 1fck h PHE 215 Ca 0.25 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.81 1fck h PHE 215 Cb 0.14 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.31 1fck h PHE 215 CO -0.00 0.48 -0.93 0.93 -0.60 0.00 0.00 178.31 178.19 1fck h GLU 216 N 0.00 0.31 0.00 1.51 5.08 -0.17 -3.37 114.58 117.94 1fck h GLU 216 Ca -0.00 -0.53 -0.08 0.00 -1.00 0.00 0.00 59.36 57.74 1fck h GLU 216 Cb 1.28 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 1fck h GLU 216 CO 0.06 1.26 -0.76 -0.44 -1.00 0.00 0.00 179.01 178.13 1fck h ASP 217 N -0.33 0.00 -3.69 1.42 5.19 -1.33 -3.43 116.42 114.25 1fck h ASP 217 Ca -0.17 0.00 -0.69 0.00 -0.62 0.00 0.00 57.03 55.55 1fck h ASP 217 Cb 1.70 0.00 -0.32 0.00 0.18 0.00 0.00 39.33 40.89 1fck h ASP 217 CO 0.15 0.33 -0.64 -0.76 -3.12 0.00 0.00 179.24 175.20 1fck s LEU 218 N -6.01 4.26 -1.04 1.55 1.43 -0.95 -5.02 118.68 112.89 1fck s LEU 218 Ca 0.02 -1.35 -0.08 0.00 -1.03 0.00 0.00 54.13 51.68 1fck s LEU 218 Cb 0.08 -1.78 0.26 0.00 0.03 0.00 0.00 46.19 44.78 1fck s LEU 218 CO 0.76 -0.33 1.02 -0.94 0.23 0.00 0.00 176.35 177.09 1fck s SER 219 N 1.41 7.03 0.00 2.29 1.04 -1.26 -4.62 113.70 119.59 1fck s SER 219 Ca -0.02 -3.52 0.00 0.00 0.48 0.00 0.00 55.95 52.89 1fck s SER 219 Cb -0.20 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1fck s SER 219 CO -0.00 -0.30 0.00 -0.67 0.98 0.00 0.00 173.24 173.25 1fck n ASP 220 N 2.78 0.00 -0.55 7.02 2.03 -1.26 -5.01 116.55 121.55 1fck n ASP 220 Ca 0.22 0.00 0.44 0.00 0.52 0.00 0.00 54.79 55.97 1fck n ASP 220 Cb 0.40 0.00 0.71 0.00 -0.72 0.00 0.00 41.12 41.51 1fck n ASP 220 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1fck n GLU 221 N 0.00 -0.02 -0.10 -0.67 4.71 -1.26 0.09 120.64 123.39 1fck n GLU 221 Ca 0.00 1.13 -0.06 0.00 -0.01 0.00 0.00 57.16 58.23 1fck n GLU 221 Cb 0.00 -2.39 0.01 0.00 -1.01 0.00 0.00 31.44 28.05 1fck n GLU 221 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1fck h ALA 222 N 1.28 0.26 -0.20 0.62 0.00 -1.98 -1.42 119.26 117.81 1fck h ALA 222 Ca 0.87 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.80 1fck h ALA 222 Cb 3.12 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 21.15 1fck h ALA 222 CO -0.26 -0.44 -0.29 0.93 0.00 0.00 0.00 179.25 179.19 1fck h GLU 223 N 0.03 0.56 -0.80 0.00 5.08 -0.75 -3.08 114.58 115.62 1fck h GLU 223 Ca 0.17 -0.33 0.18 0.00 -1.00 0.00 0.00 59.36 58.38 1fck h GLU 223 Cb 0.25 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 1fck h GLU 223 CO -0.34 0.93 0.54 0.00 -1.00 0.00 0.00 179.01 179.14 1fck h ARG 224 N 0.23 0.35 0.00 2.33 3.08 -1.34 0.21 114.38 119.23 1fck h ARG 224 Ca 0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1fck h ARG 224 Cb 0.87 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1fck h ARG 224 CO 0.07 0.23 0.00 -0.25 -1.07 0.00 0.00 179.97 178.95 1fck n ASP 225 N -4.47 0.16 -0.47 7.04 8.00 -0.56 -1.27 116.55 124.98 1fck n ASP 225 Ca 0.16 0.55 0.07 0.00 0.71 0.00 0.00 54.79 56.28 1fck n ASP 225 Cb 0.62 -0.58 0.24 0.00 -0.02 0.00 0.00 41.12 41.38 1fck n ASP 225 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1fck n GLU 226 N -1.69 1.60 -4.28 -1.24 1.02 0.72 -4.86 120.64 111.92 1fck n GLU 226 Ca 0.02 -0.92 -0.21 0.00 -0.02 0.00 0.00 57.16 56.03 1fck n GLU 226 Cb 0.11 -1.27 -0.12 0.00 -0.02 0.00 0.00 31.44 30.14 1fck n GLU 226 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1fck s TYR 227 N -1.72 1.65 0.20 -0.32 1.51 -0.39 -1.17 117.35 117.11 1fck s TYR 227 Ca 0.23 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1fck s TYR 227 Cb 0.12 -0.87 -0.04 0.00 -0.11 0.00 0.00 41.96 41.06 1fck s TYR 227 CO 0.17 0.22 0.09 -1.21 -1.11 0.00 0.00 175.55 173.71 1fck s GLU 228 N -2.39 1.20 -0.04 -0.62 2.02 0.50 -4.23 118.70 115.13 1fck s GLU 228 Ca 0.09 -1.62 0.05 0.00 0.02 0.00 0.00 54.97 53.51 1fck s GLU 228 Cb -0.07 0.04 -0.02 0.00 0.10 0.00 0.00 34.13 34.17 1fck s GLU 228 CO 0.05 -0.30 -0.18 -0.51 0.02 0.00 0.00 175.26 174.34 1fck s LEU 229 N -3.19 2.53 -0.34 1.80 1.43 0.15 -1.21 118.68 119.86 1fck s LEU 229 Ca 0.34 -0.28 -0.20 0.00 -1.03 0.00 0.00 54.13 52.96 1fck s LEU 229 Cb 0.07 -1.49 -0.00 0.00 0.03 0.00 0.00 46.19 44.80 1fck s LEU 229 CO 0.09 0.34 0.62 -0.76 0.23 0.00 0.00 176.35 176.87 1fck s LEU 230 N -0.70 4.22 0.19 1.79 1.43 -0.00 -2.14 118.68 123.47 1fck s LEU 230 Ca 0.11 0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 53.35 1fck s LEU 230 Cb -0.10 -2.77 -0.07 0.00 0.03 0.00 0.00 46.19 43.28 1fck s LEU 230 CO 0.00 -0.54 0.49 0.00 0.23 0.00 0.00 176.35 176.54 1fck n PRO 232 N 0.06 0.13 -0.77 0.00 -0.04 -1.26 -1.10 135.00 132.02 1fck n PRO 232 Ca -0.01 0.62 -0.10 0.00 -0.04 0.00 0.00 63.50 63.97 1fck n PRO 232 Cb 0.52 -1.98 0.17 0.00 -0.04 0.00 0.00 33.50 32.17 1fck n PRO 232 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1fck n ASP 233 N -2.20 3.72 -3.89 3.54 5.75 -1.26 -4.89 116.55 117.31 1fck n ASP 233 Ca -0.01 -2.95 -0.25 0.00 -0.01 0.00 0.00 54.79 51.57 1fck n ASP 233 Cb 0.09 -0.70 -0.00 0.00 -1.03 0.00 0.00 41.12 39.48 1fck n ASP 233 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1fck n ASN 234 N -0.30 -1.03 -4.11 -1.12 3.02 -0.26 -5.00 115.26 106.46 1fck n ASN 234 Ca 0.34 -0.94 -0.08 0.00 -0.03 0.00 0.00 54.58 53.87 1fck n ASN 234 Cb 1.18 -3.39 -0.10 0.00 -0.61 0.00 0.00 39.78 36.86 1fck n ASN 234 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1fck s THR 235 N -3.79 0.21 0.22 3.41 -4.23 -1.22 -4.85 115.64 105.40 1fck s THR 235 Ca 0.09 -1.85 0.06 0.00 -1.18 0.00 0.00 61.69 58.82 1fck s THR 235 Cb -0.05 -1.69 -0.04 0.00 1.34 0.00 0.00 72.50 72.07 1fck s THR 235 CO 0.86 -0.83 0.20 -0.13 -0.54 0.00 0.00 174.62 174.18 1fck s ARG 236 N -3.95 2.98 -0.06 3.99 0.52 -1.26 -0.80 118.95 120.37 1fck s ARG 236 Ca 0.12 -0.96 -0.29 0.00 -0.52 0.00 0.00 55.73 54.08 1fck s ARG 236 Cb 0.08 -2.63 0.10 0.00 0.52 0.00 0.00 34.95 33.02 1fck s ARG 236 CO -0.06 0.43 0.85 0.15 0.02 0.00 0.00 175.30 176.69 1fck s LYS 237 N -3.64 0.84 0.32 3.54 1.02 -0.91 -4.94 119.74 115.98 1fck s LYS 237 Ca 0.32 -0.01 -0.27 0.00 0.02 0.00 0.00 55.97 56.04 1fck s LYS 237 Cb -0.09 0.39 -0.13 0.00 -0.52 0.00 0.00 37.83 37.48 1fck s LYS 237 CO 0.25 -0.31 0.91 -2.30 -0.92 0.00 0.00 175.35 172.98 1fck n PRO 238 N 0.40 1.14 0.10 -1.68 -0.02 -1.26 -0.68 135.00 133.00 1fck n PRO 238 Ca -0.13 0.40 0.06 0.00 -2.02 0.00 0.00 63.50 61.81 1fck n PRO 238 Cb 0.59 -1.77 0.30 0.00 -0.02 0.00 0.00 33.50 32.60 1fck n PRO 238 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1fck n VAL 239 N -0.07 1.24 1.04 -1.45 0.24 -1.26 -0.66 118.33 117.42 1fck n VAL 239 Ca 0.10 0.64 0.12 0.00 -2.04 0.00 0.00 64.34 63.17 1fck n VAL 239 Cb 0.34 -1.64 0.30 0.00 -1.47 0.00 0.00 33.84 31.37 1fck n VAL 239 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1fck n ASP 240 N -1.87 2.38 -2.05 -1.34 5.75 -1.26 -4.05 116.55 114.10 1fck n ASP 240 Ca -0.01 -1.80 -0.07 0.00 -0.01 0.00 0.00 54.79 52.91 1fck n ASP 240 Cb 0.11 -0.08 0.30 0.00 -1.03 0.00 0.00 41.12 40.42 1fck n ASP 240 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1fck n LYS 241 N 0.82 3.72 -0.22 0.11 4.01 0.17 -4.60 118.16 122.17 1fck n LYS 241 Ca 0.17 -3.10 0.14 0.00 -0.51 0.00 0.00 58.31 55.01 1fck n LYS 241 Cb 0.47 -2.23 0.45 0.00 -0.51 0.00 0.00 35.03 33.21 1fck n LYS 241 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1fck h PHE 242 N 2.65 0.64 -0.61 2.13 -0.00 -1.76 0.22 116.94 120.21 1fck h PHE 242 Ca 0.29 0.02 0.14 0.00 -0.00 0.00 0.00 57.97 58.42 1fck h PHE 242 Cb 2.40 -0.20 -0.03 0.00 -0.00 0.00 0.00 35.95 38.11 1fck h PHE 242 CO 1.33 0.24 0.42 0.87 -0.00 0.00 0.00 178.31 181.17 1fck h LYS 243 N 0.54 0.20 -0.02 6.09 1.79 -1.94 -0.87 116.57 122.36 1fck h LYS 243 Ca 0.41 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 1fck h LYS 243 Cb 0.81 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 1fck h LYS 243 CO -0.16 0.13 -0.02 -0.25 -1.08 0.00 0.00 179.45 178.07 1fck n ASP 244 N -4.43 2.14 -3.16 0.86 8.00 0.50 -4.78 116.55 115.69 1fck n ASP 244 Ca 0.11 -1.57 -0.19 0.00 0.71 0.00 0.00 54.79 53.85 1fck n ASP 244 Cb 0.54 0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.62 1fck n ASP 244 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fck s HIS 246 N 0.29 0.61 -0.26 0.00 -3.43 -1.17 -4.39 115.29 106.93 1fck s HIS 246 Ca 0.32 -1.10 0.21 0.00 -0.80 0.00 0.00 55.06 53.69 1fck s HIS 246 Cb 0.04 -0.40 0.07 0.00 -1.43 0.00 0.00 32.58 30.86 1fck s HIS 246 CO -0.15 -0.43 1.21 -0.07 -2.00 0.00 0.00 174.74 173.30 1fck h LEU 247 N 3.04 0.00 -7.00 5.38 3.38 -0.91 -3.41 115.31 115.80 1fck h LEU 247 Ca -0.34 0.00 0.23 0.00 0.09 0.00 0.00 57.88 57.86 1fck h LEU 247 Cb 1.16 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.61 1fck h LEU 247 CO 0.63 0.17 0.96 0.00 0.09 0.00 0.00 178.44 180.29 1fck s ALA 248 N -3.19 -2.18 -0.10 1.53 0.00 -1.21 -5.00 121.76 111.61 1fck s ALA 248 Ca 0.02 1.82 -0.17 0.00 0.00 0.00 0.00 51.96 53.62 1fck s ALA 248 Cb 0.08 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1fck s ALA 248 CO 0.76 -0.18 0.46 0.50 0.00 0.00 0.00 175.76 177.30 1fck s ARG 249 N -0.61 4.28 0.06 0.00 3.52 -1.26 -1.89 118.95 123.05 1fck s ARG 249 Ca 0.09 0.43 0.03 0.00 -0.13 0.00 0.00 55.73 56.15 1fck s ARG 249 Cb -0.03 -3.40 -0.03 0.00 -1.56 0.00 0.00 34.95 29.93 1fck s ARG 249 CO -0.12 0.24 -0.10 0.14 -0.81 0.00 0.00 175.30 174.65 1fck s VAL 250 N 0.35 0.81 0.35 7.11 -7.23 -0.22 -4.98 120.40 116.59 1fck s VAL 250 Ca 0.25 -1.28 -0.28 0.00 -1.81 0.00 0.00 61.98 58.86 1fck s VAL 250 Cb -0.15 -0.93 -0.10 0.00 0.56 0.00 0.00 36.38 35.76 1fck s VAL 250 CO 0.10 -0.37 1.35 -2.16 -0.31 0.00 0.00 175.10 173.72 1fck s PRO 251 N -1.90 4.27 1.09 4.82 0.04 -1.26 -0.32 135.00 141.74 1fck s PRO 251 Ca -0.04 2.31 -0.12 0.00 0.04 0.00 0.00 61.00 63.18 1fck s PRO 251 Cb -0.08 -3.03 0.24 0.00 0.04 0.00 0.00 34.50 31.67 1fck s PRO 251 CO 0.01 -0.30 1.05 -1.54 0.04 0.00 0.00 177.00 176.27 1fck s SER 252 N -0.41 1.61 0.92 6.66 1.04 -0.29 -4.66 113.70 118.58 1fck s SER 252 Ca 0.50 1.51 -0.11 0.00 0.48 0.00 0.00 55.95 58.34 1fck s SER 252 Cb -0.41 -2.23 0.15 0.00 0.10 0.00 0.00 66.02 63.63 1fck s SER 252 CO 0.55 -3.81 1.12 -1.00 0.98 0.00 0.00 173.24 171.09 1fck s HIS 253 N -2.61 1.77 -0.09 5.02 3.76 -1.26 -4.71 115.29 117.17 1fck s HIS 253 Ca 0.67 1.65 -0.14 0.00 -0.15 0.00 0.00 55.06 57.09 1fck s HIS 253 Cb -0.23 -3.25 0.03 0.00 1.11 0.00 0.00 32.58 30.24 1fck s HIS 253 CO 0.62 -2.77 0.35 0.00 -0.85 0.00 0.00 174.74 172.09 1fck s ALA 254 N -2.68 -0.87 0.12 -1.40 0.00 -0.69 -1.16 121.76 115.07 1fck s ALA 254 Ca 0.66 0.78 -0.31 0.00 0.00 0.00 0.00 51.96 53.10 1fck s ALA 254 Cb -0.22 -0.35 -0.07 0.00 0.00 0.00 0.00 23.12 22.48 1fck s ALA 254 CO 0.58 -0.21 1.27 0.08 0.00 0.00 0.00 175.76 177.49 1fck s VAL 255 N -0.36 3.62 0.21 0.00 1.01 0.60 -1.34 120.40 124.14 1fck s VAL 255 Ca -0.05 1.22 0.10 0.00 0.00 0.00 0.00 61.98 63.25 1fck s VAL 255 Cb -0.03 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1fck s VAL 255 CO 0.02 0.13 -0.09 0.68 0.00 0.00 0.00 175.10 175.84 1fck s VAL 256 N 0.73 3.14 0.22 2.92 -7.23 0.66 -0.70 120.40 120.14 1fck s VAL 256 Ca 0.59 -1.82 -0.11 0.00 -1.81 0.00 0.00 61.98 58.82 1fck s VAL 256 Cb -0.33 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.00 1fck s VAL 256 CO 0.32 -0.21 0.40 0.00 -0.31 0.00 0.00 175.10 175.30 1fck s ALA 257 N -1.95 -0.13 0.84 1.32 0.00 0.81 -3.32 121.76 119.32 1fck s ALA 257 Ca 0.27 -0.88 -0.11 0.00 0.00 0.00 0.00 51.96 51.24 1fck s ALA 257 Cb -0.08 1.02 0.10 0.00 0.00 0.00 0.00 23.12 24.16 1fck s ALA 257 CO 0.16 -0.77 1.15 1.03 0.00 0.00 0.00 175.76 177.33 1fck s ARG 258 N -4.00 1.58 0.02 0.00 0.52 -1.26 0.13 118.95 115.94 1fck s ARG 258 Ca 0.21 1.52 0.22 0.00 -0.52 0.00 0.00 55.73 57.16 1fck s ARG 258 Cb 0.01 -1.79 -0.23 0.00 0.52 0.00 0.00 34.95 33.45 1fck s ARG 258 CO 0.06 -2.21 0.67 0.43 0.02 0.00 0.00 175.30 174.26 1fck n SER 259 N -3.69 0.30 0.00 0.23 7.64 -1.26 -3.58 113.62 113.26 1fck n SER 259 Ca 0.12 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1fck n SER 259 Cb 0.52 1.53 0.00 0.00 -1.01 0.00 0.00 64.21 65.24 1fck n SER 259 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1fck n VAL 260 N -2.22 0.00 -3.39 0.44 0.31 -1.26 -4.67 118.33 107.54 1fck n VAL 260 Ca -0.02 0.59 -0.26 0.00 -0.01 0.00 0.00 64.34 64.64 1fck n VAL 260 Cb 0.53 -1.21 -0.09 0.00 -0.91 0.00 0.00 33.84 32.16 1fck n VAL 260 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1fck n ASN 261 N -0.45 0.43 -0.00 4.52 4.13 -1.26 -4.97 115.26 117.65 1fck n ASN 261 Ca 0.00 -2.65 0.14 0.00 1.68 0.00 0.00 54.58 53.76 1fck n ASN 261 Cb 0.00 -0.61 0.63 0.00 -1.54 0.00 0.00 39.78 38.26 1fck n ASN 261 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1fck n GLY 262 N 2.15 -1.41 3.11 7.41 0.00 -1.24 -4.86 105.19 110.36 1fck n GLY 262 Ca 0.26 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 1fck n GLY 262 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fck n LYS 263 N -1.42 -6.15 -0.21 1.61 5.02 -1.26 -4.63 118.16 111.12 1fck n LYS 263 Ca 0.09 0.64 0.02 0.00 -2.02 0.00 0.00 58.31 57.04 1fck n LYS 263 Cb 0.31 -5.11 0.11 0.00 -0.02 0.00 0.00 35.03 30.33 1fck n LYS 263 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1fck h GLU 264 N -2.08 0.16 -0.42 1.97 3.07 -1.92 -1.00 114.58 114.36 1fck h GLU 264 Ca -0.44 -0.01 0.08 0.00 -0.50 0.00 0.00 59.36 58.49 1fck h GLU 264 Cb 1.28 -0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 29.09 1fck h GLU 264 CO 0.43 0.11 0.01 -0.44 -1.40 0.00 0.00 179.01 177.72 1fck h ASP 265 N 0.17 -0.14 0.21 1.42 3.45 -1.99 0.24 116.42 119.77 1fck h ASP 265 Ca 0.33 0.09 -0.00 0.00 0.43 0.00 0.00 57.03 57.88 1fck h ASP 265 Cb 0.54 0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.46 1fck h ASP 265 CO -0.50 -0.04 -0.15 0.00 -1.57 0.00 0.00 179.24 176.99 1fck h ALA 266 N 1.36 -0.34 -0.03 3.45 0.00 -1.60 -0.57 119.26 121.53 1fck h ALA 266 Ca 0.21 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1fck h ALA 266 Cb 0.29 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1fck h ALA 266 CO -0.33 -0.71 -0.14 0.82 0.00 0.00 0.00 179.25 178.89 1fck h ILE 267 N -0.36 0.65 0.11 0.00 2.04 -0.78 0.11 117.51 119.28 1fck h ILE 267 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1fck h ILE 267 Cb 0.32 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1fck h ILE 267 CO -0.00 0.00 -0.18 -0.25 0.00 0.00 0.00 178.15 177.72 1fck h TRP 268 N -0.22 -0.46 -0.67 1.37 -0.00 -0.41 0.19 115.95 115.76 1fck h TRP 268 Ca 0.06 0.01 0.09 0.00 -0.00 0.00 0.00 58.89 59.05 1fck h TRP 268 Cb 0.29 0.19 -0.07 0.00 -0.00 0.00 0.00 29.16 29.57 1fck h TRP 268 CO -0.21 -0.26 0.31 -0.97 -0.00 0.00 0.00 178.44 177.31 1fck h ASN 269 N -0.35 0.38 -0.17 2.65 -1.24 -0.86 0.95 115.58 116.94 1fck h ASN 269 Ca 0.02 0.06 -0.00 0.00 0.71 0.00 0.00 56.30 57.10 1fck h ASN 269 Cb 0.36 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 1fck h ASN 269 CO -0.09 0.22 0.10 0.25 -1.29 0.00 0.00 177.43 176.62 1fck h LEU 270 N 0.53 0.20 -0.81 0.34 5.85 -0.31 -2.01 115.31 119.11 1fck h LEU 270 Ca 0.33 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.92 1fck h LEU 270 Cb 0.36 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1fck h LEU 270 CO -0.28 0.19 -0.08 -0.07 -0.34 0.00 0.00 178.44 177.86 1fck h LEU 271 N 0.20 0.80 -0.15 2.25 3.38 0.64 -0.59 115.31 121.84 1fck h LEU 271 Ca 0.06 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1fck h LEU 271 Cb 0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1fck h LEU 271 CO -0.01 0.91 0.09 -0.09 0.09 0.00 0.00 178.44 179.43 1fck h ARG 272 N 0.74 0.19 0.04 1.13 2.43 0.11 -1.01 114.38 118.01 1fck h ARG 272 Ca 0.13 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1fck h ARG 272 Cb 0.56 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1fck h ARG 272 CO 0.03 0.12 -0.02 1.96 -1.51 0.00 0.00 179.97 180.56 1fck h GLN 273 N 0.19 -0.05 -0.75 0.20 1.08 -1.28 -2.95 115.11 111.55 1fck h GLN 273 Ca 0.05 0.00 0.20 0.00 -1.45 0.00 0.00 58.65 57.45 1fck h GLN 273 Cb -0.02 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 1fck h GLN 273 CO -0.01 0.37 0.52 0.00 -0.95 0.00 0.00 178.83 178.76 1fck h ALA 274 N 0.45 2.50 -0.19 3.87 0.00 -1.05 0.16 119.26 124.99 1fck h ALA 274 Ca -0.01 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1fck h ALA 274 Cb 0.44 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1fck h ALA 274 CO 0.01 -0.71 -0.64 0.37 0.00 0.00 0.00 179.25 178.27 1fck h GLN 275 N 0.14 0.71 0.09 0.00 4.15 -1.08 -1.96 115.11 117.15 1fck h GLN 275 Ca 0.37 -0.50 -0.22 0.00 0.77 0.00 0.00 58.65 59.07 1fck h GLN 275 Cb 1.24 0.08 0.02 0.00 0.21 0.00 0.00 27.48 29.03 1fck h GLN 275 CO -0.05 1.12 -0.90 1.49 -1.93 0.00 0.00 178.83 178.56 1fck h GLU 276 N 0.52 0.46 -0.01 1.69 4.81 -0.63 -0.25 114.58 121.16 1fck h GLU 276 Ca -0.01 -0.61 -0.12 0.00 -0.13 0.00 0.00 59.36 58.49 1fck h GLU 276 Cb 1.24 0.20 0.01 0.00 0.63 0.00 0.00 28.75 30.82 1fck h GLU 276 CO 0.13 1.25 -0.47 0.87 -0.73 0.00 0.00 179.01 180.05 1fck h LYS 277 N -0.05 0.35 0.00 1.92 6.56 -1.06 -3.38 116.57 120.92 1fck h LYS 277 Ca -0.14 -0.35 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 1fck h LYS 277 Cb 1.63 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 33.38 1fck h LYS 277 CO 0.17 1.03 -0.01 1.19 -2.06 0.00 0.00 179.45 179.77 1fck n PHE 278 N -4.32 0.00 -0.13 -1.35 3.72 -0.76 -3.01 117.46 111.61 1fck n PHE 278 Ca -0.10 -0.85 0.00 0.00 -0.05 0.00 0.00 57.45 56.45 1fck n PHE 278 Cb 0.61 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 1fck n PHE 278 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fck n GLY 279 N -1.18 -3.01 3.55 1.37 0.00 -0.11 -2.20 105.19 103.61 1fck n GLY 279 Ca 0.12 -1.31 -0.53 0.00 0.00 0.00 0.00 46.02 44.29 1fck n GLY 279 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1fck n LYS 280 N -1.00 1.14 -4.03 1.61 0.00 -1.26 -1.64 118.16 112.99 1fck n LYS 280 Ca 0.00 0.37 -0.31 0.00 0.00 0.00 0.00 58.31 58.37 1fck n LYS 280 Cb 0.00 -2.30 -0.01 0.00 0.00 0.00 0.00 35.03 32.73 1fck n LYS 280 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1fck n ASP 281 N 7.88 -2.84 0.00 3.14 -0.08 -1.26 -4.92 116.55 118.47 1fck n ASP 281 Ca 0.35 -0.93 0.00 0.00 -1.51 0.00 0.00 54.79 52.70 1fck n ASP 281 Cb 0.18 -3.25 0.00 0.00 2.34 0.00 0.00 41.12 40.39 1fck n ASP 281 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1fck n LYS 282 N -4.47 0.00 -4.03 -0.67 4.76 -0.65 -5.01 118.16 108.09 1fck n LYS 282 Ca -0.06 0.02 -0.36 0.00 -2.87 0.00 0.00 58.31 55.04 1fck n LYS 282 Cb 0.56 -0.20 -0.07 0.00 -1.84 0.00 0.00 35.03 33.48 1fck n LYS 282 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1fck s SER 283 N -1.79 6.03 0.42 4.39 0.15 -1.17 -5.00 113.70 116.74 1fck s SER 283 Ca 0.00 0.35 0.22 0.00 0.70 0.00 0.00 55.95 57.22 1fck s SER 283 Cb 0.00 -1.87 0.34 0.00 -1.71 0.00 0.00 66.02 62.77 1fck s SER 283 CO 0.00 0.38 1.60 1.55 1.20 0.00 0.00 173.24 177.97 1fck h PRO 284 N 4.87 0.00 0.00 5.44 0.13 -1.95 -3.38 132.00 137.11 1fck h PRO 284 Ca -0.53 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1fck h PRO 284 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1fck h PRO 284 CO 0.58 0.06 0.00 1.63 -0.23 0.00 0.00 178.00 180.04 1fck n LYS 285 N -3.12 0.00 -4.23 0.86 5.02 -1.26 -4.87 118.16 110.57 1fck n LYS 285 Ca 0.04 0.19 -0.26 0.00 -2.02 0.00 0.00 58.31 56.25 1fck n LYS 285 Cb 0.55 -1.13 -0.08 0.00 -0.02 0.00 0.00 35.03 34.35 1fck n LYS 285 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1fck s PHE 286 N -1.58 2.81 -0.24 2.13 5.36 -1.26 -5.12 117.98 120.08 1fck s PHE 286 Ca 0.00 -0.16 -0.04 0.00 -0.96 0.00 0.00 56.93 55.77 1fck s PHE 286 Cb 0.00 -1.34 0.08 0.00 -0.34 0.00 0.00 43.02 41.42 1fck s PHE 286 CO 0.00 0.53 0.10 -0.65 -1.46 0.00 0.00 175.22 173.75 1fck s GLN 287 N -3.08 0.22 0.25 10.12 -0.21 -1.26 -4.48 119.66 121.22 1fck s GLN 287 Ca 0.28 -0.39 -0.03 0.00 0.02 0.00 0.00 55.36 55.25 1fck s GLN 287 Cb -0.09 -1.56 0.51 0.00 1.00 0.00 0.00 33.01 32.87 1fck s GLN 287 CO 0.19 -0.85 1.72 1.25 -2.12 0.00 0.00 175.29 175.48 1fck h LEU 288 N 8.38 0.28 -3.76 2.90 5.85 -1.73 -2.50 115.31 124.72 1fck h LEU 288 Ca -0.17 0.12 -0.41 0.00 0.84 0.00 0.00 57.88 58.25 1fck h LEU 288 Cb 1.07 0.10 -0.24 0.00 0.37 0.00 0.00 40.66 41.96 1fck h LEU 288 CO 0.38 0.08 0.36 0.49 -0.34 0.00 0.00 178.44 179.41 1fck n PHE 289 N -5.01 2.36 -4.26 1.25 3.72 -1.26 -4.71 117.46 109.55 1fck n PHE 289 Ca 0.16 -1.88 -0.16 0.00 -0.05 0.00 0.00 57.45 55.51 1fck n PHE 289 Cb 0.46 -0.81 -0.10 0.00 -0.94 0.00 0.00 39.48 38.08 1fck n PHE 289 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1fck s GLY 290 N -1.87 1.13 0.06 1.37 0.00 -0.94 -0.84 107.32 106.22 1fck s GLY 290 Ca 0.53 -1.43 0.01 0.00 0.00 0.00 0.00 44.72 43.82 1fck s GLY 290 CO 0.06 -1.52 -0.05 -0.56 0.00 0.00 0.00 173.10 171.03 1fck s SER 291 N -2.89 0.70 0.87 1.64 0.01 -1.26 -4.83 113.70 107.93 1fck s SER 291 Ca 0.14 -0.83 -0.09 0.00 1.31 0.00 0.00 55.95 56.48 1fck s SER 291 Cb -0.01 0.12 0.14 0.00 0.21 0.00 0.00 66.02 66.48 1fck s SER 291 CO 0.03 -0.44 0.32 -2.65 0.41 0.00 0.00 173.24 170.92 1fck n PRO 292 N 0.58 -1.08 0.17 12.44 -0.02 -1.26 -4.83 135.00 141.00 1fck n PRO 292 Ca -0.17 -0.54 0.04 0.00 -2.02 0.00 0.00 63.50 60.81 1fck n PRO 292 Cb 0.59 -1.08 0.23 0.00 -0.02 0.00 0.00 33.50 33.22 1fck n PRO 292 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1fck h SER 293 N -2.49 0.00 -0.33 2.55 0.02 -2.06 -3.18 113.55 108.07 1fck h SER 293 Ca -0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1fck h SER 293 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1fck h SER 293 CO 0.09 0.43 0.00 0.61 -1.14 0.00 0.00 176.83 176.82 1fck n GLY 294 N 0.56 1.67 3.60 -3.77 0.00 -1.26 -4.99 105.19 100.99 1fck n GLY 294 Ca 0.00 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 1fck n GLY 294 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fck s GLN 295 N -1.19 1.93 -0.26 1.61 -1.52 -1.20 -5.16 119.66 113.88 1fck s GLN 295 Ca 0.30 -2.08 -0.25 0.00 -1.95 0.00 0.00 55.36 51.37 1fck s GLN 295 Cb 0.17 -1.63 0.08 0.00 -0.22 0.00 0.00 33.01 31.41 1fck s GLN 295 CO 0.23 -0.03 0.75 0.15 -0.25 0.00 0.00 175.29 176.15 1fck s LYS 296 N -3.70 0.81 -1.36 2.91 1.02 -1.26 -4.49 119.74 113.67 1fck s LYS 296 Ca 0.35 0.91 -0.02 0.00 0.02 0.00 0.00 55.97 57.22 1fck s LYS 296 Cb 0.09 0.40 0.02 0.00 -0.52 0.00 0.00 37.83 37.81 1fck s LYS 296 CO 0.18 -0.11 0.71 -0.25 -0.92 0.00 0.00 175.35 174.96 1fck n ASP 297 N 2.52 -1.67 -4.62 2.83 8.00 -1.26 -4.93 116.55 117.42 1fck n ASP 297 Ca -0.14 -0.84 -0.42 0.00 0.71 0.00 0.00 54.79 54.10 1fck n ASP 297 Cb 0.55 -3.89 -0.04 0.00 -0.02 0.00 0.00 41.12 37.72 1fck n ASP 297 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1fck s LEU 298 N -6.82 4.03 0.00 0.64 1.43 -1.26 -4.19 118.68 112.51 1fck s LEU 298 Ca 0.12 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 1fck s LEU 298 Cb -0.06 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.89 1fck s LEU 298 CO 0.83 -0.73 0.00 0.18 0.23 0.00 0.00 176.35 176.86 1fck n LEU 299 N 6.48 0.00 -4.13 1.79 4.77 -1.26 -4.83 117.00 119.82 1fck n LEU 299 Ca 0.07 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.94 1fck n LEU 299 Cb 0.48 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 1fck n LEU 299 CO 0.54 0.00 -0.18 -0.36 -1.33 0.00 0.00 177.39 176.06 1fck s PHE 300 N 0.00 0.90 0.22 -1.77 0.08 -1.26 -4.52 117.98 111.63 1fck s PHE 300 Ca 0.00 -1.19 -0.30 0.00 0.12 0.00 0.00 56.93 55.56 1fck s PHE 300 Cb 0.00 -0.39 -0.09 0.00 -0.57 0.00 0.00 43.02 41.97 1fck s PHE 300 CO 0.00 -0.66 1.23 0.21 -0.10 0.00 0.00 175.22 175.90 1fck s LYS 301 N -4.09 4.46 0.29 0.44 2.47 -1.26 -4.28 119.74 117.77 1fck s LYS 301 Ca 0.31 1.96 -0.29 0.00 -1.56 0.00 0.00 55.97 56.39 1fck s LYS 301 Cb 0.06 -3.20 -0.10 0.00 -1.46 0.00 0.00 37.83 33.13 1fck s LYS 301 CO 0.08 -0.12 1.28 -0.51 0.16 0.00 0.00 175.35 176.24 1fck s ASP 302 N 0.01 6.87 0.00 1.43 1.01 -1.26 -2.50 116.67 122.23 1fck s ASP 302 Ca 0.53 2.56 0.00 0.00 0.71 0.00 0.00 52.55 56.35 1fck s ASP 302 Cb -0.35 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 40.95 1fck s ASP 302 CO 0.39 -0.48 0.00 -1.20 0.21 0.00 0.00 175.17 174.09 1fck n SER 303 N 1.37 -2.46 -4.77 0.27 7.64 -0.02 -5.00 113.62 110.65 1fck n SER 303 Ca 0.02 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.56 1fck n SER 303 Cb 0.42 -0.76 0.04 0.00 -1.01 0.00 0.00 64.21 62.91 1fck n SER 303 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fck s ALA 304 N -2.34 2.50 -1.86 -0.43 0.00 -1.04 -4.84 121.76 113.74 1fck s ALA 304 Ca 0.00 0.66 0.17 0.00 0.00 0.00 0.00 51.96 52.79 1fck s ALA 304 Cb 0.00 -3.35 0.07 0.00 0.00 0.00 0.00 23.12 19.84 1fck s ALA 304 CO 0.00 -1.20 0.97 0.44 0.00 0.00 0.00 175.76 175.97 1fck n ILE 305 N -2.13 0.00 -3.51 0.00 -5.35 -0.28 -4.73 119.36 103.35 1fck n ILE 305 Ca 0.11 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 1fck n ILE 305 Cb 0.51 1.28 0.00 0.00 -1.74 0.00 0.00 39.64 39.70 1fck n ILE 305 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fck n GLY 306 N 1.08 -1.44 3.47 3.28 0.00 -1.25 -4.57 105.19 105.76 1fck n GLY 306 Ca 0.09 -1.26 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 1fck n GLY 306 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fck s PHE 307 N -2.88 2.27 -0.11 1.61 0.40 -1.26 -0.91 117.98 117.11 1fck s PHE 307 Ca 0.00 -0.35 -0.01 0.00 -0.60 0.00 0.00 56.93 55.97 1fck s PHE 307 Cb 0.00 -0.99 0.03 0.00 0.51 0.00 0.00 43.02 42.57 1fck s PHE 307 CO 0.00 0.70 -0.02 0.45 0.70 0.00 0.00 175.22 177.05 1fck s SER 308 N -3.51 2.03 0.35 1.36 0.15 -0.32 -4.89 113.70 108.87 1fck s SER 308 Ca 0.30 -0.29 -0.29 0.00 0.70 0.00 0.00 55.95 56.37 1fck s SER 308 Cb -0.05 -0.61 -0.11 0.00 -1.71 0.00 0.00 66.02 63.54 1fck s SER 308 CO 0.15 -0.19 1.49 -0.60 1.20 0.00 0.00 173.24 175.29 1fck s ARG 309 N 1.86 4.15 -0.28 5.44 3.52 -1.26 -1.00 118.95 131.37 1fck s ARG 309 Ca 0.04 2.52 -0.14 0.00 -0.13 0.00 0.00 55.73 58.02 1fck s ARG 309 Cb -0.13 -3.00 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 1fck s ARG 309 CO -0.07 -0.51 0.31 0.08 -0.81 0.00 0.00 175.30 174.31 1fck s VAL 310 N -0.82 5.22 0.22 7.11 1.01 0.78 -4.87 120.40 129.05 1fck s VAL 310 Ca 0.55 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.61 1fck s VAL 310 Cb -0.46 -3.66 -0.15 0.00 0.00 0.00 0.00 36.38 32.11 1fck s VAL 310 CO 0.58 0.16 1.05 -2.65 0.00 0.00 0.00 175.10 174.24 1fck n PRO 311 N 5.25 1.15 -0.34 2.72 -0.02 -1.26 -4.87 135.00 137.64 1fck n PRO 311 Ca -0.10 0.41 0.23 0.00 -2.02 0.00 0.00 63.50 62.01 1fck n PRO 311 Cb 0.51 -1.81 0.50 0.00 -0.02 0.00 0.00 33.50 32.67 1fck n PRO 311 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1fck h PRO 312 N 2.62 0.38 0.00 0.52 0.11 -1.96 -1.98 132.00 131.70 1fck h PRO 312 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1fck h PRO 312 Cb 1.35 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1fck h PRO 312 CO 0.65 0.25 0.00 -2.13 -0.21 0.00 0.00 178.00 176.57 1fck n ARG 313 N -4.69 0.11 -3.01 1.05 3.00 -1.26 -4.76 116.66 107.10 1fck n ARG 313 Ca 0.27 0.33 -0.41 0.00 -0.00 0.00 0.00 57.85 58.05 1fck n ARG 313 Cb 0.91 -1.71 -0.05 0.00 0.00 0.00 0.00 32.46 31.61 1fck n ARG 313 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1fck s ILE 314 N -3.17 4.96 0.51 5.15 1.01 -0.75 -5.04 121.20 123.87 1fck s ILE 314 Ca 0.06 1.39 0.08 0.00 0.00 0.00 0.00 60.65 62.18 1fck s ILE 314 Cb 0.10 -4.03 0.04 0.00 0.01 0.00 0.00 42.46 38.57 1fck s ILE 314 CO 0.35 0.07 0.57 1.51 0.00 0.00 0.00 174.94 177.45 1fck s ASP 315 N 1.17 5.04 0.19 3.58 1.47 -1.26 -4.68 116.67 122.18 1fck s ASP 315 Ca 0.33 -0.88 -0.12 0.00 1.18 0.00 0.00 52.55 53.06 1fck s ASP 315 Cb -0.16 0.02 0.20 0.00 -0.34 0.00 0.00 42.92 42.64 1fck s ASP 315 CO 0.11 -1.06 1.73 0.77 0.68 0.00 0.00 175.17 177.41 1fck h SER 316 N 0.57 0.09 -0.31 2.11 4.64 -1.90 -0.12 113.55 118.63 1fck h SER 316 Ca -0.35 0.08 0.05 0.00 -0.47 0.00 0.00 61.79 61.10 1fck h SER 316 Cb 1.29 0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 63.41 1fck h SER 316 CO 0.49 0.08 0.01 1.23 -0.87 0.00 0.00 176.83 177.77 1fck h GLY 317 N 0.30 0.31 1.40 -0.77 0.00 -1.95 -0.33 103.07 102.03 1fck h GLY 317 Ca 0.25 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.57 1fck h GLY 317 CO -0.29 -0.06 0.14 -2.00 0.00 0.00 0.00 176.54 174.33 1fck h LEU 318 N 0.10 0.70 -0.74 3.11 5.85 -1.76 -2.68 115.31 119.89 1fck h LEU 318 Ca 0.15 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.66 1fck h LEU 318 Cb 0.20 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1fck h LEU 318 CO -0.24 0.68 -0.17 0.22 -0.34 0.00 0.00 178.44 178.58 1fck h TYR 319 N 0.74 0.87 0.00 1.25 5.03 -0.17 -3.05 116.97 121.64 1fck h TYR 319 Ca 0.17 -0.18 -0.07 0.00 2.58 0.00 0.00 58.73 61.23 1fck h TYR 319 Cb 0.24 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.30 1fck h TYR 319 CO 0.01 0.89 -0.35 -0.07 -1.32 0.00 0.00 178.16 177.32 1fck h LEU 320 N 0.69 0.00 0.00 2.82 3.38 -0.83 -3.46 115.31 117.91 1fck h LEU 320 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1fck h LEU 320 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1fck h LEU 320 CO 0.05 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.54 1fck n GLY 321 N 0.46 0.13 0.35 0.83 0.00 -1.03 -4.15 105.19 101.78 1fck n GLY 321 Ca 0.00 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 1fck n GLY 321 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1fck h SER 322 N 0.00 -0.99 0.42 1.61 0.02 -1.82 0.61 113.55 113.41 1fck h SER 322 Ca 0.00 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1fck h SER 322 Cb 0.00 0.37 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1fck h SER 322 CO 0.00 -0.42 -0.34 1.23 -1.14 0.00 0.00 176.83 176.16 1fck h GLY 323 N -0.56 -0.83 0.93 -3.77 0.00 -1.88 -2.17 103.07 94.79 1fck h GLY 323 Ca 0.03 0.38 -0.09 0.00 0.00 0.00 0.00 47.33 47.66 1fck h GLY 323 CO -0.21 -0.30 -0.15 -1.82 0.00 0.00 0.00 176.54 174.06 1fck h TYR 324 N -0.76 0.76 -0.20 5.60 3.20 -1.72 -1.08 116.97 122.78 1fck h TYR 324 Ca -0.04 -0.19 0.04 0.00 3.14 0.00 0.00 58.73 61.68 1fck h TYR 324 Cb 0.66 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 1fck h TYR 324 CO -0.16 0.88 -0.05 0.35 -1.64 0.00 0.00 178.16 177.55 1fck h PHE 325 N 0.43 -0.10 0.00 -3.82 3.57 -0.91 -1.23 116.94 114.88 1fck h PHE 325 Ca 0.07 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.47 1fck h PHE 325 Cb 0.68 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 1fck h PHE 325 CO 0.06 -0.08 -0.57 1.79 -2.23 0.00 0.00 178.31 177.28 1fck h THR 326 N 0.01 1.29 -0.58 4.41 1.35 -1.38 -2.92 112.91 115.09 1fck h THR 326 Ca 0.10 -2.03 -0.01 0.00 -0.55 0.00 0.00 66.41 63.92 1fck h THR 326 Cb 0.14 2.13 -0.03 0.00 -1.73 0.00 0.00 68.15 68.67 1fck h THR 326 CO -0.20 0.56 0.32 0.00 -0.25 0.00 0.00 175.52 175.94 1fck h ALA 327 N 1.43 0.75 0.02 6.62 0.00 -0.57 0.14 119.26 127.66 1fck h ALA 327 Ca -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1fck h ALA 327 Cb 1.08 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1fck h ALA 327 CO 0.07 0.26 -0.01 0.82 0.00 0.00 0.00 179.25 180.40 1fck h ILE 328 N 0.79 0.98 -0.96 0.00 2.04 -1.14 -2.47 117.51 116.74 1fck h ILE 328 Ca 0.20 -0.02 0.09 0.00 1.00 0.00 0.00 64.86 66.14 1fck h ILE 328 Cb 0.05 0.99 -0.07 0.00 -0.74 0.00 0.00 36.82 37.05 1fck h ILE 328 CO -0.03 0.00 0.62 1.56 0.00 0.00 0.00 178.15 180.30 1fck h GLN 329 N -0.04 1.00 0.00 2.37 4.20 -1.28 -1.27 115.11 120.10 1fck h GLN 329 Ca -0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1fck h GLN 329 Cb 0.03 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.59 1fck h GLN 329 CO 0.01 0.66 0.00 0.09 -0.67 0.00 0.00 178.83 178.91 1fck n ASN 330 N -4.54 0.42 0.19 1.46 5.03 0.47 -1.96 115.26 116.32 1fck n ASN 330 Ca 0.16 0.63 0.14 0.00 0.87 0.00 0.00 54.58 56.38 1fck n ASN 330 Cb 0.27 -0.71 0.45 0.00 -1.02 0.00 0.00 39.78 38.77 1fck n ASN 330 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1fck h LEU 331 N 0.00 0.00 -3.55 3.41 3.38 -1.06 -3.01 115.31 114.48 1fck h LEU 331 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1fck h LEU 331 Cb 0.20 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.82 1fck h LEU 331 CO 0.00 0.00 0.16 0.54 0.09 0.00 0.00 178.44 179.23 1fck n ARG 332 N -2.68 2.51 -4.04 1.13 1.74 -0.83 -4.79 116.66 109.70 1fck n ARG 332 Ca 0.03 -3.07 -0.09 0.00 -0.77 0.00 0.00 57.85 53.95 1fck n ARG 332 Cb 0.37 -1.98 -0.11 0.00 -1.02 0.00 0.00 32.46 29.72 1fck n ARG 332 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1fck s LYS 333 N -3.13 0.48 0.80 5.56 1.02 -1.14 -4.88 119.74 118.45 1fck s LYS 333 Ca 0.49 -0.87 -0.11 0.00 0.02 0.00 0.00 55.97 55.50 1fck s LYS 333 Cb 0.42 0.03 0.07 0.00 -0.52 0.00 0.00 37.83 37.83 1fck s LYS 333 CO 0.07 -0.04 1.09 -1.54 -0.92 0.00 0.00 175.35 174.00 1fck s SER 334 N -2.02 4.40 0.38 2.83 1.04 -1.26 -4.77 113.70 114.30 1fck s SER 334 Ca -0.06 1.47 0.19 0.00 0.48 0.00 0.00 55.95 58.02 1fck s SER 334 Cb -0.04 -2.21 0.73 0.00 0.10 0.00 0.00 66.02 64.60 1fck s SER 334 CO -0.03 -2.05 1.76 -0.33 0.98 0.00 0.00 173.24 173.57 1fck h GLU 335 N -1.14 0.00 -0.44 4.02 5.08 -1.92 -2.71 114.58 117.47 1fck h GLU 335 Ca -0.47 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.84 1fck h GLU 335 Cb 1.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 1fck h GLU 335 CO 0.57 0.36 0.06 0.93 -1.00 0.00 0.00 179.01 179.92 1fck h GLU 336 N 0.00 0.75 -0.14 2.33 3.07 -1.97 -1.34 114.58 117.28 1fck h GLU 336 Ca -0.00 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.36 58.64 1fck h GLU 336 Cb 0.84 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 1fck h GLU 336 CO 0.05 0.78 0.06 1.49 -1.40 0.00 0.00 179.01 179.99 1fck h GLU 337 N 0.60 0.21 -0.73 2.33 4.81 -1.91 -0.93 114.58 118.97 1fck h GLU 337 Ca 0.13 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1fck h GLU 337 Cb 0.41 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 1fck h GLU 337 CO 0.01 0.31 0.46 0.28 -0.73 0.00 0.00 179.01 179.34 1fck h VAL 338 N 0.08 1.11 0.00 0.32 2.07 -1.41 -0.26 116.25 118.16 1fck h VAL 338 Ca 0.05 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 1fck h VAL 338 Cb 0.17 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1fck h VAL 338 CO -0.00 0.16 -0.41 0.00 0.02 0.00 0.00 177.57 177.34 1fck h ALA 339 N 1.31 1.24 -0.14 1.67 0.00 -1.11 -1.39 119.26 120.84 1fck h ALA 339 Ca 0.29 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 1fck h ALA 339 Cb 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1fck h ALA 339 CO -0.10 0.51 -0.67 0.00 0.00 0.00 0.00 179.25 178.99 1fck h ALA 340 N 1.59 0.56 -0.20 0.00 0.00 -0.13 -2.39 119.26 118.70 1fck h ALA 340 Ca -0.00 -0.57 -0.15 0.00 0.00 0.00 0.00 54.91 54.18 1fck h ALA 340 Cb 0.76 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1fck h ALA 340 CO 0.05 0.72 -0.51 -0.09 0.00 0.00 0.00 179.25 179.42 1fck h ARG 341 N 0.40 0.55 0.00 0.00 9.65 -0.76 -2.29 114.38 121.93 1fck h ARG 341 Ca -0.02 -0.33 -0.04 0.00 -1.10 0.00 0.00 59.98 58.49 1fck h ARG 341 Cb 1.25 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.85 1fck h ARG 341 CO 0.13 0.93 -0.19 -0.09 2.80 0.00 0.00 179.97 183.55 1fck h ARG 342 N 0.43 0.00 0.00 0.20 2.43 -1.11 -3.01 114.38 113.32 1fck h ARG 342 Ca 0.02 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.96 1fck h ARG 342 Cb 1.04 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.55 1fck h ARG 342 CO 0.10 0.19 -1.50 0.00 -1.51 0.00 0.00 179.97 177.25 1fck h ALA 343 N 1.81 0.70 -2.32 2.80 0.00 -1.16 -3.47 119.26 117.61 1fck h ALA 343 Ca -0.00 -1.13 -0.50 0.00 0.00 0.00 0.00 54.91 53.28 1fck h ALA 343 Cb 0.37 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1fck h ALA 343 CO 0.02 1.25 0.10 -0.98 0.00 0.00 0.00 179.25 179.64 1fck s ARG 344 N -2.76 3.79 -0.23 0.00 1.70 -0.88 -4.95 118.95 115.62 1fck s ARG 344 Ca -0.03 0.46 -0.04 0.00 -0.47 0.00 0.00 55.73 55.65 1fck s ARG 344 Cb 0.08 -2.41 -0.01 0.00 -0.57 0.00 0.00 34.95 32.04 1fck s ARG 344 CO 0.82 -0.00 -0.02 0.08 -1.08 0.00 0.00 175.30 175.09 1fck s VAL 345 N -2.32 3.51 -0.54 4.99 1.01 0.21 -4.93 120.40 122.32 1fck s VAL 345 Ca 0.51 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 1fck s VAL 345 Cb -0.10 -2.62 0.09 0.00 0.00 0.00 0.00 36.38 33.75 1fck s VAL 345 CO 0.30 0.39 0.62 -0.69 0.00 0.00 0.00 175.10 175.72 1fck s VAL 346 N 1.49 4.93 0.44 2.92 1.01 -1.26 -1.70 120.40 128.23 1fck s VAL 346 Ca 0.06 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 60.92 1fck s VAL 346 Cb -0.15 -4.37 -0.09 0.00 0.00 0.00 0.00 36.38 31.77 1fck s VAL 346 CO -0.02 -0.93 1.01 0.86 0.00 0.00 0.00 175.10 176.02 1fck s TRP 347 N 2.42 3.20 -0.09 5.22 -0.11 -0.49 0.50 118.94 129.59 1fck s TRP 347 Ca 0.11 1.62 0.00 0.00 1.22 0.00 0.00 56.10 59.05 1fck s TRP 347 Cb -0.23 -3.01 -0.03 0.00 -1.50 0.00 0.00 33.47 28.70 1fck s TRP 347 CO 0.08 -0.51 -0.08 0.00 -4.62 0.00 0.00 176.95 171.81 1fck s ALA 349 N -0.41 2.81 -0.42 0.00 0.00 0.14 -4.77 121.76 119.12 1fck s ALA 349 Ca 0.06 -1.25 -0.09 0.00 0.00 0.00 0.00 51.96 50.69 1fck s ALA 349 Cb -0.12 -0.81 0.08 0.00 0.00 0.00 0.00 23.12 22.27 1fck s ALA 349 CO 0.02 0.61 0.25 0.08 0.00 0.00 0.00 175.76 176.73 1fck s VAL 350 N -1.12 4.12 0.00 0.00 1.01 -1.26 -1.51 120.40 121.64 1fck s VAL 350 Ca 0.19 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1fck s VAL 350 Cb -0.11 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1fck s VAL 350 CO 0.10 -0.53 0.00 0.61 0.00 0.00 0.00 175.10 175.28 1fck n GLY 351 N 4.88 1.41 0.25 4.51 0.00 -0.41 -4.41 105.19 111.43 1fck n GLY 351 Ca -0.09 -1.85 -0.07 0.00 0.00 0.00 0.00 46.02 44.01 1fck n GLY 351 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fck h GLU 352 N 0.00 0.84 -0.41 1.61 3.07 -1.93 -2.07 114.58 115.69 1fck h GLU 352 Ca 0.00 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1fck h GLU 352 Cb 0.00 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.73 1fck h GLU 352 CO 0.00 0.64 0.26 1.96 -1.40 0.00 0.00 179.01 180.47 1fck h GLN 353 N 0.81 0.54 -0.38 2.33 4.20 -1.99 0.35 115.11 120.98 1fck h GLN 353 Ca 0.21 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 1fck h GLN 353 Cb 0.05 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1fck h GLN 353 CO -0.03 0.38 -0.05 0.93 -0.67 0.00 0.00 178.83 179.39 1fck h GLU 354 N 0.54 0.63 -0.64 1.46 5.08 -1.75 -2.29 114.58 117.61 1fck h GLU 354 Ca 0.15 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1fck h GLU 354 Cb -0.03 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1fck h GLU 354 CO -0.03 0.69 0.24 1.25 -1.00 0.00 0.00 179.01 180.15 1fck h LEU 355 N 0.59 0.90 -0.50 1.33 5.85 -0.58 0.02 115.31 122.91 1fck h LEU 355 Ca 0.11 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1fck h LEU 355 Cb 0.45 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1fck h LEU 355 CO 0.02 0.84 0.33 0.03 -0.34 0.00 0.00 178.44 179.32 1fck h ARG 356 N 0.91 0.67 -0.24 1.25 3.08 0.16 0.44 114.38 120.64 1fck h ARG 356 Ca 0.21 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.09 1fck h ARG 356 Cb 0.23 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1fck h ARG 356 CO -0.01 0.45 -0.36 -0.22 -1.07 0.00 0.00 179.97 178.76 1fck h LYS 357 N 0.68 0.54 -0.05 0.04 3.64 -1.23 -2.03 116.57 118.16 1fck h LYS 357 Ca 0.18 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1fck h LYS 357 Cb -0.06 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1fck h LYS 357 CO -0.04 0.82 0.02 0.00 -2.27 0.00 0.00 179.45 177.98 1fck h ASN 359 N -0.07 0.86 -0.97 0.00 2.35 -0.84 0.52 115.58 117.43 1fck h ASN 359 Ca 0.02 -0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1fck h ASN 359 Cb 0.15 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.27 1fck h ASN 359 CO -0.00 0.59 0.63 -0.61 -1.65 0.00 0.00 177.43 176.39 1fck h GLN 360 N 1.01 1.19 -0.16 0.81 4.15 -1.04 -0.54 115.11 120.52 1fck h GLN 360 Ca 0.34 -0.07 -0.18 0.00 0.77 0.00 0.00 58.65 59.50 1fck h GLN 360 Cb 0.04 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 27.46 1fck h GLN 360 CO -0.13 0.78 -0.63 2.35 -1.93 0.00 0.00 178.83 179.28 1fck h TRP 361 N 1.22 0.76 -0.27 3.99 7.01 0.24 -3.21 115.95 125.70 1fck h TRP 361 Ca 0.39 -0.30 0.02 0.00 2.11 0.00 0.00 58.89 61.10 1fck h TRP 361 Cb 0.01 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 26.91 1fck h TRP 361 CO -0.01 1.06 0.13 1.03 -2.79 0.00 0.00 178.44 177.87 1fck h SER 362 N 0.43 0.20 -0.18 2.65 0.87 0.11 -1.86 113.55 115.77 1fck h SER 362 Ca -0.01 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 1fck h SER 362 Cb 1.20 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1fck h SER 362 CO 0.12 0.15 0.13 1.23 -0.53 0.00 0.00 176.83 177.94 1fck h GLY 363 N 0.28 0.00 -2.39 5.77 0.00 -1.15 -1.68 103.07 103.90 1fck h GLY 363 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1fck h GLY 363 CO -0.07 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.51 1fck n LEU 364 N -4.41 3.57 -0.02 3.11 7.99 -0.90 -4.43 117.00 121.90 1fck n LEU 364 Ca 0.01 -1.58 0.13 0.00 -0.01 0.00 0.00 56.01 54.56 1fck n LEU 364 Cb 0.27 -0.29 0.43 0.00 -0.11 0.00 0.00 43.42 43.71 1fck n LEU 364 CO 0.34 0.79 0.69 -1.54 -1.51 0.00 0.00 177.39 176.16 1fck n SER 365 N 1.54 0.34 -2.99 -1.43 3.41 -0.63 -4.96 113.62 108.89 1fck n SER 365 Ca 0.20 -0.04 -0.15 0.00 -0.26 0.00 0.00 58.87 58.62 1fck n SER 365 Cb 0.61 -0.06 0.07 0.00 -0.26 0.00 0.00 64.21 64.58 1fck n SER 365 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1fck n GLU 366 N -1.41 -5.62 -0.47 4.33 1.02 -1.26 -2.91 120.64 114.31 1fck n GLU 366 Ca 0.07 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.90 1fck n GLU 366 Cb 0.33 -5.24 0.00 0.00 -0.02 0.00 0.00 31.44 26.51 1fck n GLU 366 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fck n GLY 367 N -1.23 1.35 0.09 0.62 0.00 -1.26 -4.87 105.19 99.89 1fck n GLY 367 Ca -0.19 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 1fck n GLY 367 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1fck h SER 368 N 0.00 0.00 -4.16 1.61 4.64 -1.87 -3.44 113.55 110.33 1fck h SER 368 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1fck h SER 368 Cb 0.00 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 61.79 1fck h SER 368 CO 0.00 0.81 -0.82 -0.69 -0.87 0.00 0.00 176.83 175.26 1fck s VAL 369 N -2.81 1.23 0.34 0.95 1.01 -1.26 -0.62 120.40 119.24 1fck s VAL 369 Ca 0.02 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.39 1fck s VAL 369 Cb 0.09 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 1fck s VAL 369 CO 0.79 0.35 0.17 0.42 0.00 0.00 0.00 175.10 176.83 1fck s THR 370 N -0.25 0.37 0.21 3.92 -4.23 -0.69 -4.50 115.64 110.48 1fck s THR 370 Ca 0.04 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.63 1fck s THR 370 Cb -0.07 -2.47 -0.05 0.00 1.34 0.00 0.00 72.50 71.26 1fck s THR 370 CO -0.00 0.00 -0.17 0.00 -0.54 0.00 0.00 174.62 173.91 1fck s SER 372 N -3.23 -0.02 0.12 0.00 0.15 -0.21 -4.89 113.70 105.62 1fck s SER 372 Ca 0.23 -0.85 -0.25 0.00 0.70 0.00 0.00 55.95 55.78 1fck s SER 372 Cb -0.03 0.48 0.07 0.00 -1.71 0.00 0.00 66.02 64.83 1fck s SER 372 CO 0.09 -0.96 0.82 -0.94 1.20 0.00 0.00 173.24 173.45 1fck s SER 373 N -2.97 -0.34 0.24 5.45 1.04 -1.26 -0.69 113.70 115.18 1fck s SER 373 Ca 0.18 -0.22 -0.11 0.00 0.48 0.00 0.00 55.95 56.28 1fck s SER 373 Cb 0.02 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 1fck s SER 373 CO 0.02 -0.90 0.44 0.00 0.98 0.00 0.00 173.24 173.78 1fck s ALA 374 N -3.44 -0.06 -0.99 5.32 0.00 -0.57 -4.90 121.76 117.11 1fck s ALA 374 Ca 0.07 -0.98 0.25 0.00 0.00 0.00 0.00 51.96 51.30 1fck s ALA 374 Cb -0.02 1.11 0.52 0.00 0.00 0.00 0.00 23.12 24.73 1fck s ALA 374 CO -0.04 -0.82 1.42 -1.13 0.00 0.00 0.00 175.76 175.19 1fck n SER 375 N -0.38 0.49 -4.21 0.00 3.41 -1.26 -1.29 113.62 110.38 1fck n SER 375 Ca -0.01 -0.23 -0.12 0.00 -0.26 0.00 0.00 58.87 58.25 1fck n SER 375 Cb 0.62 0.23 -0.10 0.00 -0.26 0.00 0.00 64.21 64.71 1fck n SER 375 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1fck s THR 376 N -3.00 0.89 0.22 6.66 -4.23 -1.26 -4.45 115.64 110.46 1fck s THR 376 Ca 0.11 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.57 1fck s THR 376 Cb 0.17 -1.82 0.11 0.00 1.34 0.00 0.00 72.50 72.30 1fck s THR 376 CO 0.70 -0.76 1.72 0.74 -0.54 0.00 0.00 174.62 176.48 1fck h THR 377 N 2.85 1.25 -0.61 3.99 2.02 -1.91 -3.09 112.91 117.41 1fck h THR 377 Ca -0.36 -1.02 -0.07 0.00 0.77 0.00 0.00 66.41 65.73 1fck h THR 377 Cb 1.18 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1fck h THR 377 CO 0.64 0.38 0.13 -0.33 0.37 0.00 0.00 175.52 176.70 1fck h GLU 378 N 0.92 1.00 -0.67 6.66 5.08 -1.97 -1.92 114.58 123.68 1fck h GLU 378 Ca 0.18 -0.25 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1fck h GLU 378 Cb 0.44 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1fck h GLU 378 CO 0.02 0.92 0.44 -0.44 -1.00 0.00 0.00 179.01 178.95 1fck h ASP 379 N 0.91 0.71 -0.31 1.42 3.32 -1.96 0.68 116.42 121.19 1fck h ASP 379 Ca 0.19 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 1fck h ASP 379 Cb 0.39 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1fck h ASP 379 CO 0.01 0.50 -0.14 0.00 -1.72 0.00 0.00 179.24 177.88 1fck h ILE 381 N 0.68 1.25 -0.50 0.00 2.04 -0.16 -1.41 117.51 119.41 1fck h ILE 381 Ca 0.11 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 1fck h ILE 381 Cb 0.62 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1fck h ILE 381 CO 0.04 0.31 0.23 0.00 0.00 0.00 0.00 178.15 178.73 1fck h ALA 382 N 1.25 0.64 -0.28 1.87 0.00 -0.25 -1.68 119.26 120.82 1fck h ALA 382 Ca 0.27 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1fck h ALA 382 Cb 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1fck h ALA 382 CO -0.03 0.22 0.15 -0.07 0.00 0.00 0.00 179.25 179.52 1fck h LEU 383 N 0.66 0.33 -0.12 0.00 3.38 -0.35 -1.52 115.31 117.69 1fck h LEU 383 Ca 0.17 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 1fck h LEU 383 Cb 0.14 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.81 1fck h LEU 383 CO -0.02 0.26 -0.57 0.58 0.09 0.00 0.00 178.44 178.78 1fck h VAL 384 N 0.38 1.34 -0.15 1.22 2.07 -0.86 -0.63 116.25 119.63 1fck h VAL 384 Ca 0.10 -1.86 0.04 0.00 0.82 0.00 0.00 66.70 65.80 1fck h VAL 384 Cb 0.01 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1fck h VAL 384 CO -0.02 0.57 0.11 -0.07 0.02 0.00 0.00 177.57 178.18 1fck h LEU 385 N 0.22 0.00 -0.74 2.57 3.38 -0.66 0.11 115.31 120.19 1fck h LEU 385 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1fck h LEU 385 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1fck h LEU 385 CO 0.12 0.00 -0.08 0.29 0.09 0.00 0.00 178.44 178.86 1fck n LYS 386 N -4.40 1.34 -0.73 1.13 5.02 -0.63 -3.32 118.16 116.57 1fck n LYS 386 Ca 0.01 -0.74 0.00 0.00 -2.02 0.00 0.00 58.31 55.55 1fck n LYS 386 Cb 0.24 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1fck n LYS 386 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fck n GLY 387 N 1.22 1.50 0.14 0.72 0.00 0.02 -4.78 105.19 104.02 1fck n GLY 387 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1fck n GLY 387 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fck h GLU 388 N 2.77 0.00 -4.03 1.61 5.08 -1.36 -3.44 114.58 115.21 1fck h GLU 388 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1fck h GLU 388 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 1fck h GLU 388 CO 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 179.01 177.52 1fck s ALA 389 N -3.28 0.18 0.00 3.43 0.00 -0.92 -4.92 121.76 116.26 1fck s ALA 389 Ca 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1fck s ALA 389 Cb 0.10 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.78 1fck s ALA 389 CO 0.49 -0.50 0.00 -0.25 0.00 0.00 0.00 175.76 175.51 1fck n ASP 390 N -0.05 4.26 -4.01 0.00 8.00 0.18 -4.07 116.55 120.87 1fck n ASP 390 Ca -0.12 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.28 1fck n ASP 390 Cb 0.62 0.29 -0.07 0.00 -0.02 0.00 0.00 41.12 41.95 1fck n ASP 390 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fck s ALA 391 N -1.92 0.04 -0.28 2.24 0.00 -1.04 -4.16 121.76 116.64 1fck s ALA 391 Ca 0.00 -0.99 -0.32 0.00 0.00 0.00 0.00 51.96 50.66 1fck s ALA 391 Cb 0.00 1.05 0.18 0.00 0.00 0.00 0.00 23.12 24.35 1fck s ALA 391 CO 0.00 -0.74 1.34 0.00 0.00 0.00 0.00 175.76 176.36 1fck s MET 392 N -4.02 0.09 -0.12 0.00 0.23 -1.23 -1.32 119.30 112.93 1fck s MET 392 Ca 0.23 0.00 -0.18 0.00 -1.03 0.00 0.00 55.69 54.71 1fck s MET 392 Cb 0.02 0.04 -0.04 0.00 -1.53 0.00 0.00 34.83 33.32 1fck s MET 392 CO 0.06 -0.03 0.47 0.45 -2.03 0.00 0.00 175.02 173.94 1fck s SER 393 N -1.32 6.67 0.17 -1.18 0.15 -1.26 -1.68 113.70 115.25 1fck s SER 393 Ca 0.09 0.80 0.09 0.00 0.70 0.00 0.00 55.95 57.63 1fck s SER 393 Cb -0.01 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.98 1fck s SER 393 CO -0.06 0.01 -0.19 -0.76 1.20 0.00 0.00 173.24 173.44 1fck s LEU 394 N 0.58 2.44 0.57 3.45 1.43 0.91 -4.92 118.68 123.14 1fck s LEU 394 Ca 0.25 -0.86 -0.17 0.00 -1.03 0.00 0.00 54.13 52.32 1fck s LEU 394 Cb -0.15 -0.87 -0.05 0.00 0.03 0.00 0.00 46.19 45.16 1fck s LEU 394 CO 0.10 -0.02 1.07 -0.62 0.23 0.00 0.00 176.35 177.11 1fck s ASP 395 N -2.67 5.83 0.37 2.29 2.15 -1.26 -1.46 116.67 121.92 1fck s ASP 395 Ca 0.16 1.91 0.15 0.00 0.43 0.00 0.00 52.55 55.20 1fck s ASP 395 Cb -0.06 -2.55 1.02 0.00 -0.30 0.00 0.00 42.92 41.04 1fck s ASP 395 CO 0.07 -1.13 1.75 1.23 -0.17 0.00 0.00 175.17 176.91 1fck h GLY 396 N 0.75 1.52 1.73 2.66 0.00 -1.77 0.15 103.07 108.12 1fck h GLY 396 Ca -0.48 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 1fck h GLY 396 CO 0.57 -0.20 0.14 -1.33 0.00 0.00 0.00 176.54 175.73 1fck h GLY 397 N 0.46 0.38 1.70 4.60 0.00 -1.90 -1.81 103.07 106.50 1fck h GLY 397 Ca 0.63 -0.15 -0.20 0.00 0.00 0.00 0.00 47.33 47.60 1fck h GLY 397 CO -0.38 0.15 -1.08 -0.97 0.00 0.00 0.00 176.54 174.26 1fck h TYR 398 N 0.36 0.00 -0.45 5.60 0.05 -0.89 -3.19 116.97 118.46 1fck h TYR 398 Ca 0.09 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.91 1fck h TYR 398 Cb 0.02 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 1fck h TYR 398 CO 0.00 0.86 0.30 0.28 -1.05 0.00 0.00 178.16 178.55 1fck h VAL 399 N 0.00 1.03 0.40 -2.88 2.07 -0.53 0.21 116.25 116.54 1fck h VAL 399 Ca -0.08 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1fck h VAL 399 Cb 1.73 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1fck h VAL 399 CO 0.10 0.08 -0.19 0.22 0.02 0.00 0.00 177.57 177.80 1fck h TYR 400 N 0.46 -0.50 -0.75 1.57 3.20 -1.46 0.24 116.97 119.73 1fck h TYR 400 Ca 0.18 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 1fck h TYR 400 Cb 0.15 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 1fck h TYR 400 CO -0.00 -0.28 0.39 1.15 -1.64 0.00 0.00 178.16 177.78 1fck h THR 401 N -0.59 1.23 -0.20 1.81 2.02 -1.34 -1.09 112.91 114.75 1fck h THR 401 Ca -0.05 -0.60 -0.08 0.00 0.77 0.00 0.00 66.41 66.44 1fck h THR 401 Cb 0.44 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1fck h THR 401 CO 0.09 0.26 -0.24 0.00 0.37 0.00 0.00 175.52 176.00 1fck h ALA 402 N 1.37 1.22 0.08 6.16 0.00 -0.38 -2.60 119.26 125.11 1fck h ALA 402 Ca 0.26 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1fck h ALA 402 Cb 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1fck h ALA 402 CO -0.04 0.51 -0.04 0.78 0.00 0.00 0.00 179.25 180.46 1fck h GLY 403 N 0.99 -0.11 1.82 0.00 0.00 0.40 0.33 103.07 106.50 1fck h GLY 403 Ca 0.05 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1fck h GLY 403 CO 0.04 -0.04 0.08 0.50 0.00 0.00 0.00 176.54 177.13 1fck h LYS 404 N -0.49 0.00 -0.35 4.80 1.79 -1.14 0.23 116.57 121.41 1fck h LYS 404 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1fck h LYS 404 Cb 0.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1fck h LYS 404 CO 0.02 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.39 1fck n GLY 406 N 1.39 0.86 3.86 0.00 0.00 0.82 -5.04 105.19 107.08 1fck n GLY 406 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1fck n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fck s LEU 407 N 0.00 3.22 0.12 0.99 1.43 0.06 -4.69 118.68 119.80 1fck s LEU 407 Ca 0.00 1.45 0.05 0.00 -1.03 0.00 0.00 54.13 54.60 1fck s LEU 407 Cb 0.00 -4.47 -0.04 0.00 0.03 0.00 0.00 46.19 41.71 1fck s LEU 407 CO 0.00 -0.94 -0.12 0.68 0.23 0.00 0.00 176.35 176.19 1fck s VAL 408 N -3.16 1.18 0.42 -1.59 -7.23 -0.28 -4.10 120.40 105.64 1fck s VAL 408 Ca 0.55 -1.72 -0.22 0.00 -1.81 0.00 0.00 61.98 58.78 1fck s VAL 408 Cb -0.11 -1.50 -0.10 0.00 0.56 0.00 0.00 36.38 35.23 1fck s VAL 408 CO 0.54 -0.50 1.00 -2.16 -0.31 0.00 0.00 175.10 173.67 1fck s PRO 409 N -2.82 4.15 0.00 4.82 0.04 -1.26 -1.14 135.00 138.79 1fck s PRO 409 Ca 0.08 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1fck s PRO 409 Cb -0.03 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1fck s PRO 409 CO 0.02 -0.12 0.00 1.55 0.04 0.00 0.00 177.00 178.48 1fck n VAL 410 N -0.39 0.00 -3.78 -0.36 3.14 0.13 -4.80 118.33 112.27 1fck n VAL 410 Ca 0.06 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.31 1fck n VAL 410 Cb 0.52 -0.44 -0.09 0.00 -1.06 0.00 0.00 33.84 32.77 1fck n VAL 410 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1fck s LEU 411 N -4.01 0.97 0.20 6.55 1.43 -1.22 -4.49 118.68 118.12 1fck s LEU 411 Ca 0.00 0.08 0.09 0.00 -1.03 0.00 0.00 54.13 53.26 1fck s LEU 411 Cb 0.00 1.15 -0.04 0.00 0.03 0.00 0.00 46.19 47.33 1fck s LEU 411 CO 0.00 -0.41 -0.04 0.00 0.23 0.00 0.00 176.35 176.13 1fck s ALA 412 N -1.22 3.08 -0.07 4.21 0.00 -0.15 0.43 121.76 128.04 1fck s ALA 412 Ca -0.13 -1.48 -0.30 0.00 0.00 0.00 0.00 51.96 50.05 1fck s ALA 412 Cb -0.05 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 1fck s ALA 412 CO 0.03 0.42 1.03 -1.21 0.00 0.00 0.00 175.76 176.04 1fck s GLU 413 N -3.07 4.44 -0.14 0.00 2.02 0.23 -0.45 118.70 121.74 1fck s GLU 413 Ca 0.27 1.44 -0.05 0.00 0.02 0.00 0.00 54.97 56.66 1fck s GLU 413 Cb -0.08 -3.52 -0.04 0.00 0.10 0.00 0.00 34.13 30.59 1fck s GLU 413 CO 0.17 -0.27 0.04 1.21 0.02 0.00 0.00 175.26 176.43 1fck s ASN 414 N 1.12 5.47 0.40 -0.19 3.84 0.51 -4.56 114.94 121.52 1fck s ASN 414 Ca 0.50 0.12 0.08 0.00 0.21 0.00 0.00 52.86 53.77 1fck s ASN 414 Cb -0.20 -1.78 -0.03 0.00 -0.55 0.00 0.00 41.25 38.69 1fck s ASN 414 CO 0.21 0.27 0.27 -0.31 -2.79 0.00 0.00 177.10 174.75 1fck s TYR 415 N -0.24 2.69 0.03 0.43 2.02 -1.26 0.36 117.35 121.37 1fck s TYR 415 Ca 0.07 -0.49 -0.36 0.00 -0.37 0.00 0.00 57.07 55.92 1fck s TYR 415 Cb -0.12 -1.99 -0.15 0.00 -0.40 0.00 0.00 41.96 39.29 1fck s TYR 415 CO 0.02 0.07 1.51 0.36 -1.57 0.00 0.00 175.55 175.94 1fck n LYS 416 N -1.37 1.49 -0.73 -0.62 2.85 -1.26 -4.86 118.16 113.65 1fck n LYS 416 Ca 0.01 0.54 -0.32 0.00 -1.05 0.00 0.00 58.31 57.48 1fck n LYS 416 Cb 0.62 -2.24 0.15 0.00 -0.65 0.00 0.00 35.03 32.91 1fck n LYS 416 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1fck n SER 417 N 3.59 -1.77 -0.44 -5.58 2.88 -1.26 -4.75 113.62 106.29 1fck n SER 417 Ca 0.20 0.22 0.39 0.00 -1.33 0.00 0.00 58.87 58.35 1fck n SER 417 Cb 0.21 -1.20 0.60 0.00 -0.75 0.00 0.00 64.21 63.07 1fck n SER 417 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1fck n GLN 418 N -2.35 0.01 -3.65 -1.46 0.00 -1.26 -4.36 117.38 104.31 1fck n GLN 418 Ca 0.06 1.02 -0.01 0.00 0.00 0.00 0.00 57.00 58.06 1fck n GLN 418 Cb 0.55 -2.44 -0.06 0.00 0.00 0.00 0.00 30.24 28.28 1fck n GLN 418 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 1fck s GLN 419 N -4.56 0.22 0.00 2.61 2.00 -1.26 -5.15 119.66 113.51 1fck s GLN 419 Ca -0.04 0.34 0.00 0.00 -2.00 0.00 0.00 55.36 53.67 1fck s GLN 419 Cb 0.19 0.06 0.00 0.00 0.80 0.00 0.00 33.01 34.07 1fck s GLN 419 CO 0.65 -0.04 0.00 0.43 -0.50 0.00 0.00 175.29 175.83 1fck n SER 420 N 2.96 0.00 0.00 6.67 7.64 -1.26 -4.96 113.62 124.67 1fck n SER 420 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1fck n SER 420 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1fck n SER 420 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1fck n SER 421 N 0.09 0.04 -2.00 6.43 7.64 -1.26 -5.03 113.62 119.52 1fck n SER 421 Ca 0.00 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1fck n SER 421 Cb 0.00 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1fck n SER 421 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1fck n ASP 422 N -0.05 -8.55 -0.21 6.43 8.00 -1.26 -4.11 116.55 116.80 1fck n ASP 422 Ca 0.00 1.34 0.00 0.00 0.71 0.00 0.00 54.79 56.84 1fck n ASP 422 Cb 0.00 -4.80 0.00 0.00 -0.02 0.00 0.00 41.12 36.30 1fck n ASP 422 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1fck n PRO 423 N 1.77 0.00 -1.63 -0.24 -0.02 -1.26 -4.51 135.00 129.10 1fck n PRO 423 Ca 0.00 0.00 -0.53 0.00 -2.02 0.00 0.00 63.50 60.95 1fck n PRO 423 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.42 1fck n PRO 423 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1fck n ASP 424 N 0.08 2.07 0.15 2.55 -0.08 -1.26 -4.90 116.55 115.16 1fck n ASP 424 Ca 0.00 1.10 0.03 0.00 -1.51 0.00 0.00 54.79 54.41 1fck n ASP 424 Cb 0.00 -1.21 0.04 0.00 2.34 0.00 0.00 41.12 42.30 1fck n ASP 424 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1fck h PRO 425 N 5.62 0.00 -0.78 -0.67 0.13 -1.89 -3.28 132.00 131.13 1fck h PRO 425 Ca -0.47 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.21 1fck h PRO 425 Cb 1.32 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.20 1fck h PRO 425 CO 0.84 0.47 0.36 0.09 -0.23 0.00 0.00 178.00 179.53 1fck n ASN 426 N -3.23 4.24 -0.28 1.44 4.13 -1.26 -4.66 115.26 115.64 1fck n ASN 426 Ca 0.02 -3.72 0.04 0.00 1.68 0.00 0.00 54.58 52.61 1fck n ASN 426 Cb 0.72 -0.77 0.26 0.00 -1.54 0.00 0.00 39.78 38.45 1fck n ASN 426 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1fck h VAL 428 N 0.97 0.54 -0.01 0.00 2.07 -1.83 -2.87 116.25 115.13 1fck h VAL 428 Ca 0.37 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.83 1fck h VAL 428 Cb 0.21 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1fck h VAL 428 CO -0.14 0.01 -0.04 0.47 0.02 0.00 0.00 177.57 177.89 1fck n ASP 429 N -3.84 1.48 -4.62 0.57 9.92 -0.61 -1.79 116.55 117.66 1fck n ASP 429 Ca -0.03 -1.24 -0.43 0.00 -0.53 0.00 0.00 54.79 52.56 1fck n ASP 429 Cb 0.10 0.13 -0.02 0.00 -0.64 0.00 0.00 41.12 40.69 1fck n ASP 429 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1fck s ARG 430 N -0.78 3.83 0.51 -1.24 3.52 -0.62 -4.95 118.95 119.21 1fck s ARG 430 Ca 0.08 1.14 -0.20 0.00 -0.13 0.00 0.00 55.73 56.62 1fck s ARG 430 Cb 0.06 -3.91 -0.09 0.00 -1.56 0.00 0.00 34.95 29.45 1fck s ARG 430 CO 0.12 -1.24 0.72 -2.30 -0.81 0.00 0.00 175.30 171.79 1fck n PRO 431 N 7.51 0.78 -2.61 5.12 -0.02 -1.26 -4.91 135.00 139.61 1fck n PRO 431 Ca 0.15 0.29 -0.33 0.00 -2.02 0.00 0.00 63.50 61.59 1fck n PRO 431 Cb 0.47 -1.82 -0.05 0.00 -0.02 0.00 0.00 33.50 32.09 1fck n PRO 431 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1fck s VAL 432 N -1.53 4.15 -0.70 -1.45 -7.23 -1.26 -4.98 120.40 107.40 1fck s VAL 432 Ca 0.67 1.27 0.06 0.00 -1.81 0.00 0.00 61.98 62.18 1fck s VAL 432 Cb -0.50 -3.54 0.07 0.00 0.56 0.00 0.00 36.38 32.97 1fck s VAL 432 CO 0.54 -0.35 0.79 -0.62 -0.31 0.00 0.00 175.10 175.15 1fck n GLU 433 N -0.98 0.53 -0.08 4.82 1.02 -1.26 -5.06 120.64 119.63 1fck n GLU 433 Ca 0.08 -1.07 0.01 0.00 -0.02 0.00 0.00 57.16 56.16 1fck n GLU 433 Cb 0.53 -1.12 -0.00 0.00 -0.02 0.00 0.00 31.44 30.83 1fck n GLU 433 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fck n GLY 434 N 0.27 -1.41 3.33 0.62 0.00 -1.26 -4.95 105.19 101.79 1fck n GLY 434 Ca 0.04 -1.51 -0.17 0.00 0.00 0.00 0.00 46.02 44.38 1fck n GLY 434 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1fck s TYR 435 N -1.22 1.58 -0.30 1.61 1.13 -0.68 -4.89 117.35 114.57 1fck s TYR 435 Ca 0.00 -0.99 -0.17 0.00 -1.41 0.00 0.00 57.07 54.50 1fck s TYR 435 Cb 0.00 -0.93 -0.02 0.00 -1.10 0.00 0.00 41.96 39.91 1fck s TYR 435 CO 0.00 -0.11 0.48 -0.51 -2.51 0.00 0.00 175.55 172.91 1fck s LEU 436 N -3.32 4.16 -0.19 -3.49 1.43 -1.26 -1.03 118.68 114.98 1fck s LEU 436 Ca 0.31 0.26 -0.26 0.00 -1.03 0.00 0.00 54.13 53.41 1fck s LEU 436 Cb 0.07 -2.58 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 1fck s LEU 436 CO 0.10 -0.34 0.87 0.00 0.23 0.00 0.00 176.35 177.22 1fck s ALA 437 N 2.29 3.56 0.33 4.21 0.00 -0.30 -2.26 121.76 129.59 1fck s ALA 437 Ca 0.19 0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.22 1fck s ALA 437 Cb -0.16 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 1fck s ALA 437 CO 0.11 -0.77 0.11 0.14 0.00 0.00 0.00 175.76 175.35 1fck s VAL 438 N 2.44 0.69 -0.24 0.00 -7.23 0.85 -0.70 120.40 116.21 1fck s VAL 438 Ca 0.39 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.58 1fck s VAL 438 Cb -0.16 -2.58 0.05 0.00 0.56 0.00 0.00 36.38 34.26 1fck s VAL 438 CO 0.11 0.00 -0.11 0.00 -0.31 0.00 0.00 175.10 174.78 1fck s ALA 439 N -3.45 2.43 -0.08 1.32 0.00 -1.26 -2.42 121.76 118.30 1fck s ALA 439 Ca 0.33 -1.62 -0.08 0.00 0.00 0.00 0.00 51.96 50.60 1fck s ALA 439 Cb 0.06 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 1fck s ALA 439 CO 0.15 -1.07 0.20 0.08 0.00 0.00 0.00 175.76 175.12 1fck s VAL 440 N 1.18 5.40 0.17 0.00 1.01 -0.03 -1.82 120.40 126.31 1fck s VAL 440 Ca -0.06 0.29 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1fck s VAL 440 Cb -0.19 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1fck s VAL 440 CO -0.06 0.57 0.10 0.68 0.00 0.00 0.00 175.10 176.39 1fck s VAL 441 N -1.08 0.05 0.26 2.92 -7.23 -0.49 -0.45 120.40 114.38 1fck s VAL 441 Ca 0.18 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.13 1fck s VAL 441 Cb -0.13 -2.25 -0.09 0.00 0.56 0.00 0.00 36.38 34.46 1fck s VAL 441 CO 0.08 -0.24 1.07 -0.13 -0.31 0.00 0.00 175.10 175.57 1fck s ARG 442 N -4.10 4.68 0.22 4.82 0.52 -1.26 -0.98 118.95 122.85 1fck s ARG 442 Ca 0.31 1.73 -0.08 0.00 -0.52 0.00 0.00 55.73 57.17 1fck s ARG 442 Cb 0.07 -3.22 0.31 0.00 0.52 0.00 0.00 34.95 32.63 1fck s ARG 442 CO 0.07 0.26 1.77 -0.09 0.02 0.00 0.00 175.30 177.33 1fck h ARG 443 N 4.00 0.53 -0.00 3.54 2.43 -1.34 -2.73 114.38 120.80 1fck h ARG 443 Ca -0.46 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1fck h ARG 443 Cb 1.21 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1fck h ARG 443 CO 0.68 0.35 0.01 0.66 -1.51 0.00 0.00 179.97 180.15 1fck h SER 444 N 0.54 0.00 -0.45 -3.80 4.64 -1.92 -3.23 113.55 109.32 1fck h SER 444 Ca 0.33 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.95 1fck h SER 444 Cb 0.36 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.41 1fck h SER 444 CO -0.27 0.00 3.21 0.47 -0.87 0.00 0.00 176.83 179.37 1fck n ASP 445 N -3.86 7.74 -0.20 4.97 10.43 -1.03 -4.75 116.55 129.85 1fck n ASP 445 Ca -0.03 -2.82 0.31 0.00 2.57 0.00 0.00 54.79 54.82 1fck n ASP 445 Cb 0.09 -1.50 0.71 0.00 1.84 0.00 0.00 41.12 42.25 1fck n ASP 445 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 1fck h THR 446 N 3.04 0.34 0.00 -3.53 1.35 -1.81 -0.96 112.91 111.35 1fck h THR 446 Ca 0.76 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.62 1fck h THR 446 Cb 0.35 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.19 1fck h THR 446 CO 1.69 0.00 -0.37 -1.54 -0.25 0.00 0.00 175.52 175.06 1fck n SER 447 N -3.94 0.40 -4.65 5.36 3.41 -1.26 -4.85 113.62 108.10 1fck n SER 447 Ca 0.21 0.03 -0.43 0.00 -0.26 0.00 0.00 58.87 58.41 1fck n SER 447 Cb 1.12 0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 65.06 1fck n SER 447 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1fck s LEU 448 N -3.21 4.14 0.00 1.04 1.98 -0.37 -4.97 118.68 117.29 1fck s LEU 448 Ca 0.11 1.69 0.04 0.00 -2.89 0.00 0.00 54.13 53.08 1fck s LEU 448 Cb 0.17 -3.54 -0.01 0.00 0.66 0.00 0.00 46.19 43.47 1fck s LEU 448 CO 0.65 -0.85 0.14 0.35 -1.89 0.00 0.00 176.35 174.75 1fck n THR 449 N 5.56 0.00 0.08 3.68 -2.24 -1.26 -5.02 114.28 115.08 1fck n THR 449 Ca 0.15 -2.10 -0.07 0.00 -2.27 0.00 0.00 64.05 59.76 1fck n THR 449 Cb 0.45 0.77 0.07 0.00 -2.10 0.00 0.00 70.33 69.52 1fck n THR 449 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1fck h TRP 450 N 1.61 0.31 0.00 4.78 2.91 -1.82 -2.93 115.95 120.81 1fck h TRP 450 Ca -0.28 -0.14 0.00 0.00 1.13 0.00 0.00 58.89 59.61 1fck h TRP 450 Cb 1.07 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.67 1fck h TRP 450 CO 0.00 0.86 0.00 0.09 -1.03 0.00 0.00 178.44 178.36 1fck n ASN 451 N -3.79 0.00 -1.03 2.65 3.02 -1.26 -3.00 115.26 111.85 1fck n ASN 451 Ca -0.03 0.42 0.05 0.00 -0.03 0.00 0.00 54.58 54.99 1fck n ASN 451 Cb 0.69 -0.46 0.09 0.00 -0.61 0.00 0.00 39.78 39.49 1fck n ASN 451 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1fck n SER 452 N -1.46 1.25 0.06 6.41 3.41 -1.15 -4.76 113.62 117.37 1fck n SER 452 Ca 0.05 -2.73 -0.04 0.00 -0.26 0.00 0.00 58.87 55.88 1fck n SER 452 Cb 0.18 -0.38 -0.08 0.00 -0.26 0.00 0.00 64.21 63.66 1fck n SER 452 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1fck h VAL 453 N 4.51 1.12 -2.91 -3.33 3.04 -1.42 -3.44 116.25 113.83 1fck h VAL 453 Ca -0.12 -2.74 -0.59 0.00 -1.01 0.00 0.00 66.70 62.25 1fck h VAL 453 Cb 1.50 2.52 0.14 0.00 -2.01 0.00 0.00 31.29 33.43 1fck h VAL 453 CO 0.05 0.64 0.03 0.29 -1.01 0.00 0.00 177.57 177.57 1fck n LYS 454 N -3.18 1.13 0.00 4.17 5.02 -1.26 -1.77 118.16 122.27 1fck n LYS 454 Ca -0.05 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1fck n LYS 454 Cb 0.89 -1.92 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1fck n LYS 454 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fck n GLY 455 N 1.33 2.78 2.28 0.72 0.00 0.07 -4.97 105.19 107.40 1fck n GLY 455 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 1fck n GLY 455 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fck n LYS 456 N -1.97 -0.73 -3.26 1.61 4.01 -0.73 -2.67 118.16 114.42 1fck n LYS 456 Ca 0.00 -1.23 -0.38 0.00 -0.51 0.00 0.00 58.31 56.19 1fck n LYS 456 Cb 0.00 -0.79 -0.06 0.00 -0.51 0.00 0.00 35.03 33.67 1fck n LYS 456 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1fck s LYS 457 N -4.69 4.35 0.21 1.97 1.02 -1.26 -1.93 119.74 119.41 1fck s LYS 457 Ca 0.44 0.55 0.10 0.00 0.02 0.00 0.00 55.97 57.09 1fck s LYS 457 Cb -0.01 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 1fck s LYS 457 CO 0.31 0.16 -0.14 -1.54 -0.92 0.00 0.00 175.35 173.22 1fck s SER 458 N 0.58 3.95 -0.11 2.83 1.04 -0.90 -0.90 113.70 120.19 1fck s SER 458 Ca 0.29 -0.74 0.02 0.00 0.48 0.00 0.00 55.95 56.00 1fck s SER 458 Cb -0.16 -0.53 0.01 0.00 0.10 0.00 0.00 66.02 65.44 1fck s SER 458 CO 0.12 0.09 -0.17 0.00 0.98 0.00 0.00 173.24 174.26 1fck s HIS 460 N 0.91 1.92 0.21 0.00 3.76 0.26 -1.26 115.29 121.09 1fck s HIS 460 Ca -0.08 -0.37 -0.09 0.00 -0.15 0.00 0.00 55.06 54.37 1fck s HIS 460 Cb -0.15 -1.19 0.25 0.00 1.11 0.00 0.00 32.58 32.60 1fck s HIS 460 CO -0.01 0.04 1.80 1.79 -0.85 0.00 0.00 174.74 177.50 1fck h THR 461 N 4.46 0.93 0.00 1.30 1.35 -1.75 -3.39 112.91 115.81 1fck h THR 461 Ca -0.42 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1fck h THR 461 Cb 1.15 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1fck h THR 461 CO 0.46 0.12 0.00 0.00 -0.25 0.00 0.00 175.52 175.84 1fck n ALA 462 N -2.37 0.00 -1.77 6.62 0.00 -1.26 -0.15 120.51 121.59 1fck n ALA 462 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.13 1fck n ALA 462 Cb 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 1fck n ALA 462 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fck s VAL 463 N -2.00 3.37 0.00 0.00 0.11 -0.29 -3.21 120.40 118.37 1fck s VAL 463 Ca 0.00 1.28 0.00 0.00 -2.93 0.00 0.00 61.98 60.33 1fck s VAL 463 Cb 0.00 -3.78 0.00 0.00 -1.53 0.00 0.00 36.38 31.07 1fck s VAL 463 CO 0.00 0.23 0.00 0.47 -3.33 0.00 0.00 175.10 172.47 1fck n ASP 464 N 0.74 -0.09 -4.91 3.54 8.00 -1.26 -4.98 116.55 117.59 1fck n ASP 464 Ca 0.01 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.23 1fck n ASP 464 Cb 0.45 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.51 1fck n ASP 464 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1fck s ARG 465 N -0.07 3.62 0.00 -1.24 0.52 -1.20 -4.13 118.95 116.45 1fck s ARG 465 Ca 0.00 0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.25 1fck s ARG 465 Cb 0.00 -2.58 0.00 0.00 0.52 0.00 0.00 34.95 32.89 1fck s ARG 465 CO 0.00 0.12 0.88 2.41 0.02 0.00 0.00 175.30 178.73 1fck n THR 466 N -1.26 0.00 -0.13 0.02 -1.04 -1.26 0.06 114.28 110.67 1fck n THR 466 Ca -0.01 1.38 -0.09 0.00 -2.04 0.00 0.00 64.05 63.28 1fck n THR 466 Cb 0.54 -2.34 -0.01 0.00 -1.82 0.00 0.00 70.33 66.70 1fck n THR 466 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fck h ALA 467 N -1.95 0.51 0.00 2.41 0.00 -1.91 -1.45 119.26 116.88 1fck h ALA 467 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1fck h ALA 467 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1fck h ALA 467 CO 0.00 0.15 0.00 0.78 0.00 0.00 0.00 179.25 180.18 1fck h GLY 468 N 0.49 0.00 0.00 0.00 0.00 -1.67 -3.39 103.07 98.50 1fck h GLY 468 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1fck h GLY 468 CO -0.01 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.40 1fck n TRP 469 N -2.98 -1.52 -0.34 5.60 -0.00 -0.28 -4.40 117.44 113.52 1fck n TRP 469 Ca 0.02 0.29 0.16 0.00 -0.00 0.00 0.00 57.50 57.97 1fck n TRP 469 Cb 0.39 0.71 0.38 0.00 -0.00 0.00 0.00 31.31 32.80 1fck n TRP 469 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1fck h ASN 470 N 0.00 0.67 0.01 5.87 2.35 -0.29 0.44 115.58 124.63 1fck h ASN 470 Ca 0.00 0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 1fck h ASN 470 Cb 0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1fck h ASN 470 CO 0.00 0.18 -0.17 0.40 -1.65 0.00 0.00 177.43 176.19 1fck h ILE 471 N 0.62 1.70 -0.35 2.81 2.04 -1.49 -2.13 117.51 120.71 1fck h ILE 471 Ca 0.60 -2.34 -0.09 0.00 1.00 0.00 0.00 64.86 64.03 1fck h ILE 471 Cb 1.12 3.27 -0.01 0.00 -0.74 0.00 0.00 36.82 40.47 1fck h ILE 471 CO -0.39 0.59 -0.12 1.55 0.00 0.00 0.00 178.15 179.78 1fck h PRO 472 N -0.96 0.69 -0.10 2.37 0.13 -1.72 -1.68 132.00 130.73 1fck h PRO 472 Ca -0.04 -0.28 -0.10 0.00 -0.87 0.00 0.00 66.00 64.71 1fck h PRO 472 Cb 1.07 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1fck h PRO 472 CO -0.01 0.87 -0.39 0.52 -0.23 0.00 0.00 178.00 178.77 1fck h MET 473 N 0.48 0.22 -0.28 0.86 2.86 -1.07 -2.39 114.93 115.61 1fck h MET 473 Ca 0.08 -0.10 -0.14 0.00 -2.06 0.00 0.00 59.70 57.49 1fck h MET 473 Cb 0.64 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1fck h MET 473 CO 0.04 0.58 -0.39 0.78 1.06 0.00 0.00 176.91 178.98 1fck h GLY 474 N 1.18 0.71 0.88 8.32 0.00 -1.28 0.27 103.07 113.15 1fck h GLY 474 Ca 0.02 -0.71 -0.05 0.00 0.00 0.00 0.00 47.33 46.59 1fck h GLY 474 CO 0.06 0.64 0.01 1.41 0.00 0.00 0.00 176.54 178.66 1fck h LEU 475 N 0.54 0.52 -0.33 3.11 3.38 -1.09 -1.76 115.31 119.67 1fck h LEU 475 Ca 0.05 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 1fck h LEU 475 Cb 0.92 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1fck h LEU 475 CO 0.08 0.69 -0.29 -0.07 0.09 0.00 0.00 178.44 178.94 1fck h LEU 476 N 0.33 0.83 -1.32 1.67 3.38 -1.34 -2.99 115.31 115.87 1fck h LEU 476 Ca 0.09 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1fck h LEU 476 Cb 0.42 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1fck h LEU 476 CO 0.01 1.11 0.35 0.15 0.09 0.00 0.00 178.44 180.15 1fck h PHE 477 N 0.56 0.79 0.00 1.13 3.04 -0.43 -1.12 116.94 120.91 1fck h PHE 477 Ca 0.06 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 1fck h PHE 477 Cb 0.86 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 39.11 1fck h PHE 477 CO 0.07 0.54 -0.03 -0.97 -2.02 0.00 0.00 178.31 175.90 1fck h ASN 478 N 0.82 0.00 0.14 0.41 -1.24 -1.17 0.45 115.58 115.00 1fck h ASN 478 Ca 0.21 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.22 1fck h ASN 478 Cb -0.01 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.04 1fck h ASN 478 CO -0.04 0.03 -0.07 1.56 -1.29 0.00 0.00 177.43 177.62 1fck h GLN 479 N 0.00 -0.18 0.00 6.67 4.20 -1.18 -3.39 115.11 121.23 1fck h GLN 479 Ca -0.00 0.01 -0.20 0.00 0.06 0.00 0.00 58.65 58.52 1fck h GLN 479 Cb 0.05 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1fck h GLN 479 CO 0.00 -0.12 -0.95 1.79 -0.67 0.00 0.00 178.83 178.88 1fck h THR 480 N -0.70 1.66 0.00 -0.54 1.35 -1.48 -3.47 112.91 109.72 1fck h THR 480 Ca -0.02 -3.30 0.00 0.00 -0.55 0.00 0.00 66.41 62.54 1fck h THR 480 Cb 0.14 2.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1fck h THR 480 CO 0.03 0.94 0.00 0.61 -0.25 0.00 0.00 175.52 176.85 1fck n GLY 481 N 1.29 0.47 3.75 5.82 0.00 0.16 -4.98 105.19 111.71 1fck n GLY 481 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1fck n GLY 481 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fck s SER 482 N -2.26 7.27 0.00 1.61 0.15 -1.26 -4.95 113.70 114.26 1fck s SER 482 Ca 0.00 1.52 0.26 0.00 0.70 0.00 0.00 55.95 58.43 1fck s SER 482 Cb 0.00 -2.48 0.68 0.00 -1.71 0.00 0.00 66.02 62.51 1fck s SER 482 CO 0.00 0.08 1.53 0.00 1.20 0.00 0.00 173.24 176.04 1fck n LYS 484 N -1.24 2.20 0.07 0.00 3.00 -1.26 -4.71 118.16 116.22 1fck n LYS 484 Ca 0.08 -2.24 0.18 0.00 -0.00 0.00 0.00 58.31 56.33 1fck n LYS 484 Cb 0.33 -3.12 0.71 0.00 0.00 0.00 0.00 35.03 32.96 1fck n LYS 484 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 1fck h PHE 485 N 6.94 0.00 -0.01 5.64 0.04 -2.01 -2.16 116.94 125.38 1fck h PHE 485 Ca 0.50 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.27 1fck h PHE 485 Cb 0.66 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.81 1fck h PHE 485 CO 1.35 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 178.66 1fck n ASP 486 N -4.24 0.54 0.00 2.17 5.75 -1.26 -2.80 116.55 116.70 1fck n ASP 486 Ca 0.07 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 1fck n ASP 486 Cb 0.51 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 1fck n ASP 486 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1fck n GLU 487 N -0.24 -0.56 -0.24 0.11 1.02 -0.81 -4.68 120.64 115.24 1fck n GLU 487 Ca 0.00 -0.45 -0.07 0.00 -0.02 0.00 0.00 57.16 56.62 1fck n GLU 487 Cb 0.13 -0.89 0.04 0.00 -0.02 0.00 0.00 31.44 30.70 1fck n GLU 487 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1fck h TYR 488 N 0.00 1.09 -4.21 -0.32 -1.99 -1.64 -3.43 116.97 106.47 1fck h TYR 488 Ca 0.00 -0.12 -0.54 0.00 2.00 0.00 0.00 58.73 60.07 1fck h TYR 488 Cb 0.15 -0.31 -0.27 0.00 2.00 0.00 0.00 36.73 38.29 1fck h TYR 488 CO 0.00 0.89 -0.83 -0.06 -0.00 0.00 0.00 178.16 178.16 1fck s PHE 489 N -5.37 1.60 0.24 4.88 0.08 -1.26 -0.75 117.98 117.40 1fck s PHE 489 Ca -0.12 -0.34 -0.06 0.00 0.12 0.00 0.00 56.93 56.53 1fck s PHE 489 Cb 0.14 -0.99 0.44 0.00 -0.57 0.00 0.00 43.02 42.04 1fck s PHE 489 CO 0.83 0.03 1.69 0.66 -0.10 0.00 0.00 175.22 178.33 1fck h SER 490 N 5.23 -0.00 -4.39 1.36 4.64 -1.16 -3.44 113.55 115.79 1fck h SER 490 Ca -0.39 0.14 0.06 0.00 -0.47 0.00 0.00 61.79 61.13 1fck h SER 490 Cb 1.16 0.20 -0.21 0.00 -0.31 0.00 0.00 62.40 63.24 1fck h SER 490 CO 0.46 -0.03 0.47 0.00 -0.87 0.00 0.00 176.83 176.85 1fck s GLN 491 N -6.06 0.73 0.19 4.77 -2.07 -1.26 -4.92 119.66 111.05 1fck s GLN 491 Ca -0.13 0.08 -0.08 0.00 -1.82 0.00 0.00 55.36 53.42 1fck s GLN 491 Cb 0.21 0.34 0.03 0.00 -1.09 0.00 0.00 33.01 32.50 1fck s GLN 491 CO 0.75 -0.25 0.41 -1.13 -1.32 0.00 0.00 175.29 173.76 1fck n SER 492 N 0.58 -1.15 -4.00 12.60 3.41 -0.35 -2.12 113.62 122.60 1fck n SER 492 Ca -0.12 -1.78 -0.31 0.00 -0.26 0.00 0.00 58.87 56.40 1fck n SER 492 Cb 0.58 1.91 -0.15 0.00 -0.26 0.00 0.00 64.21 66.29 1fck n SER 492 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fck s ALA 494 N 1.29 2.37 0.14 0.00 0.00 0.51 -0.57 121.76 125.49 1fck s ALA 494 Ca -0.06 -3.01 -0.33 0.00 0.00 0.00 0.00 51.96 48.56 1fck s ALA 494 Cb -0.19 -1.82 -0.17 0.00 0.00 0.00 0.00 23.12 20.93 1fck s ALA 494 CO -0.06 -2.02 0.85 -2.30 0.00 0.00 0.00 175.76 172.22 1fck n PRO 495 N 2.49 0.32 0.00 0.00 -0.02 -1.26 -2.15 135.00 134.38 1fck n PRO 495 Ca 0.26 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1fck n PRO 495 Cb 0.43 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 1fck n PRO 495 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fck n GLY 496 N 1.81 0.44 4.01 -1.23 0.00 -0.38 -1.14 105.19 108.69 1fck n GLY 496 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1fck n GLY 496 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fck s SER 497 N -2.35 4.43 -0.13 1.61 0.01 -0.91 -4.90 113.70 111.46 1fck s SER 497 Ca 0.00 -0.60 -0.29 0.00 1.31 0.00 0.00 55.95 56.37 1fck s SER 497 Cb 0.00 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.46 1fck s SER 497 CO 0.00 -1.82 1.45 -0.62 0.41 0.00 0.00 173.24 172.66 1fck s ASP 498 N -4.77 6.79 0.49 2.44 3.68 -1.26 -4.91 116.67 119.13 1fck s ASP 498 Ca 0.66 1.89 0.27 0.00 2.13 0.00 0.00 52.55 57.51 1fck s ASP 498 Cb -0.04 -2.54 1.35 0.00 -1.45 0.00 0.00 42.92 40.24 1fck s ASP 498 CO 0.44 -0.87 1.85 -0.65 0.13 0.00 0.00 175.17 176.07 1fck h PRO 499 N 8.95 0.14 -0.00 4.34 0.11 -1.93 0.65 132.00 144.25 1fck h PRO 499 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1fck h PRO 499 Cb 1.14 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1fck h PRO 499 CO 0.97 0.09 -0.08 0.54 -0.21 0.00 0.00 178.00 179.31 1fck n ARG 500 N -4.36 0.13 -1.91 1.05 3.00 -1.26 -4.70 116.66 108.60 1fck n ARG 500 Ca 0.21 -0.02 -0.31 0.00 -0.01 0.00 0.00 57.85 57.72 1fck n ARG 500 Cb 0.94 -1.50 0.02 0.00 0.00 0.00 0.00 32.46 31.92 1fck n ARG 500 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1fck s SER 501 N -2.89 6.01 0.40 0.55 0.15 0.23 -4.96 113.70 113.19 1fck s SER 501 Ca 0.17 1.31 0.27 0.00 0.70 0.00 0.00 55.95 58.41 1fck s SER 501 Cb 0.19 -2.30 0.90 0.00 -1.71 0.00 0.00 66.02 63.09 1fck s SER 501 CO 0.54 -0.99 1.79 0.78 1.20 0.00 0.00 173.24 176.56 1fck h ASN 502 N -0.38 0.00 0.54 5.45 4.21 -1.88 -2.53 115.58 120.98 1fck h ASN 502 Ca -0.44 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.07 1fck h ASN 502 Cb 1.21 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.41 1fck h ASN 502 CO 0.62 0.00 0.00 -0.07 -1.29 0.00 0.00 177.43 176.69 1fck h LEU 503 N 0.00 0.00 0.00 1.61 3.38 -1.85 -0.83 115.31 117.62 1fck h LEU 503 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1fck h LEU 503 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1fck h LEU 503 CO 0.00 0.00 -0.73 0.00 0.09 0.00 0.00 178.44 177.80 1fck h ALA 505 N 1.55 -0.11 0.00 0.00 0.00 -1.25 -1.53 119.26 117.93 1fck h ALA 505 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1fck h ALA 505 Cb 0.32 0.91 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1fck h ALA 505 CO 0.00 -0.72 -0.03 -0.07 0.00 0.00 0.00 179.25 178.42 1fck h LEU 506 N -0.14 0.00-10.16 0.00 4.07 -1.66 -3.45 115.31 103.96 1fck h LEU 506 Ca 0.24 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.65 1fck h LEU 506 Cb 0.56 0.00 0.17 0.00 1.08 0.00 0.00 40.66 42.47 1fck h LEU 506 CO -0.76 0.03 0.43 0.00 -1.08 0.00 0.00 178.44 177.06 1fck n ILE 508 N -2.63 0.72 -2.98 0.00 -5.35 -1.26 -4.83 119.36 103.02 1fck n ILE 508 Ca 0.15 -0.75 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 1fck n ILE 508 Cb 0.49 0.60 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 1fck n ILE 508 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fck n GLY 509 N -0.39 0.82 0.00 3.28 0.00 -1.26 -4.48 105.19 103.16 1fck n GLY 509 Ca 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1fck n GLY 509 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fck n ASP 510 N -3.40 0.00 -0.14 1.61 5.68 0.41 -2.11 116.55 118.59 1fck n ASP 510 Ca 0.00 -0.51 -0.03 0.00 -0.50 0.00 0.00 54.79 53.75 1fck n ASP 510 Cb 0.00 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.03 1fck n ASP 510 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1fck h GLU 511 N 0.00 0.20 0.00 0.11 3.07 -1.87 0.93 114.58 117.02 1fck h GLU 511 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1fck h GLU 511 Cb 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1fck h GLU 511 CO 0.00 0.13 0.00 1.04 -1.40 0.00 0.00 179.01 178.78 1fck n GLN 512 N -5.13 0.24 -1.43 2.33 3.00 -1.26 -4.82 117.38 110.30 1fck n GLN 512 Ca 0.04 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1fck n GLN 512 Cb 0.22 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.96 1fck n GLN 512 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1fck n GLY 513 N 0.26 0.46 4.03 1.08 0.00 0.32 -5.06 105.19 106.29 1fck n GLY 513 Ca 0.08 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 45.00 1fck n GLY 513 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fck s GLU 514 N -2.91 2.40 -1.51 1.61 0.41 -1.26 -4.60 118.70 112.84 1fck s GLU 514 Ca 0.00 -1.51 -0.08 0.00 -0.41 0.00 0.00 54.97 52.97 1fck s GLU 514 Cb 0.00 -2.66 0.06 0.00 -1.78 0.00 0.00 34.13 29.76 1fck s GLU 514 CO 0.00 -0.75 0.66 0.09 -0.49 0.00 0.00 175.26 174.77 1fck n ASN 515 N -2.19 -2.13 -4.69 -0.19 3.02 -1.26 -0.45 115.26 107.38 1fck n ASN 515 Ca 0.14 -0.95 -0.42 0.00 -0.03 0.00 0.00 54.58 53.32 1fck n ASN 515 Cb 0.61 -3.23 -0.03 0.00 -0.61 0.00 0.00 39.78 36.52 1fck n ASN 515 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1fck s LYS 516 N -6.62 4.24 -0.40 3.52 2.47 -1.26 -2.55 119.74 119.14 1fck s LYS 516 Ca 0.34 2.17 0.00 0.00 -1.56 0.00 0.00 55.97 56.92 1fck s LYS 516 Cb -0.18 -3.56 0.00 0.00 -1.46 0.00 0.00 37.83 32.63 1fck s LYS 516 CO 0.88 -0.65 0.00 0.00 0.16 0.00 0.00 175.35 175.74 1fck s VAL 518 N -1.81 3.21 -0.59 0.00 1.01 -1.06 -1.25 120.40 119.92 1fck s VAL 518 Ca 0.00 1.08 -0.06 0.00 0.00 0.00 0.00 61.98 63.00 1fck s VAL 518 Cb 0.00 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 1fck s VAL 518 CO 0.00 0.15 3.10 -0.81 0.00 0.00 0.00 175.10 177.54 1fck n PRO 519 N 0.39 2.76 -4.03 2.72 -0.04 -1.26 -4.49 135.00 131.05 1fck n PRO 519 Ca 0.03 -1.92 -0.11 0.00 -0.04 0.00 0.00 63.50 61.46 1fck n PRO 519 Cb 0.46 -2.26 -0.05 0.00 -0.04 0.00 0.00 33.50 31.60 1fck n PRO 519 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1fck s ASN 520 N 1.34 0.19 0.16 3.54 2.20 -1.26 -4.54 114.94 116.57 1fck s ASN 520 Ca 0.64 -1.12 0.09 0.00 -0.94 0.00 0.00 52.86 51.52 1fck s ASN 520 Cb 0.30 0.60 0.49 0.00 -2.00 0.00 0.00 41.25 40.64 1fck s ASN 520 CO -0.09 -1.19 1.21 -1.54 -2.94 0.00 0.00 177.10 172.56 1fck n SER 521 N -0.69 0.24 -0.05 3.54 3.41 -1.26 -1.85 113.62 116.97 1fck n SER 521 Ca -0.01 0.54 -0.01 0.00 -0.26 0.00 0.00 58.87 59.13 1fck n SER 521 Cb 0.62 -0.55 0.26 0.00 -0.26 0.00 0.00 64.21 64.27 1fck n SER 521 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1fck h ASN 522 N 0.00 0.59 -3.16 4.04 2.35 -1.93 -3.38 115.58 114.09 1fck h ASN 522 Ca 0.00 -0.11 -0.57 0.00 -0.55 0.00 0.00 56.30 55.07 1fck h ASN 522 Cb 0.22 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 1fck h ASN 522 CO 0.00 0.64 0.91 -0.70 -1.65 0.00 0.00 177.43 176.63 1fck s GLU 523 N -5.04 4.04 0.61 0.81 2.56 -0.77 -2.93 118.70 117.98 1fck s GLU 523 Ca -0.08 1.26 0.32 0.00 0.00 0.00 0.00 54.97 56.47 1fck s GLU 523 Cb 0.15 -3.80 1.88 0.00 2.00 0.00 0.00 34.13 34.37 1fck s GLU 523 CO 0.78 -0.95 2.20 0.00 -0.56 0.00 0.00 175.26 176.73 1fck h ARG 524 N 8.58 0.00 -0.64 4.30 3.08 -1.61 -1.47 114.38 126.63 1fck h ARG 524 Ca -0.24 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.75 1fck h ARG 524 Cb 1.08 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.10 1fck h ARG 524 CO 1.02 0.00 0.08 0.66 -1.07 0.00 0.00 179.97 180.66 1fck n TYR 525 N -3.60 2.14 -3.15 3.04 4.01 -1.26 -4.31 117.16 114.02 1fck n TYR 525 Ca -0.01 -0.83 -0.35 0.00 -0.16 0.00 0.00 57.90 56.55 1fck n TYR 525 Cb 0.19 -0.55 -0.06 0.00 -0.31 0.00 0.00 39.34 38.60 1fck n TYR 525 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1fck s TYR 526 N -2.77 3.55 0.04 -0.72 5.04 -0.55 -3.12 117.35 118.81 1fck s TYR 526 Ca 0.53 1.28 0.00 0.00 -2.44 0.00 0.00 57.07 56.44 1fck s TYR 526 Cb 0.41 -2.55 0.00 0.00 0.35 0.00 0.00 41.96 40.17 1fck s TYR 526 CO 0.15 0.27 0.00 0.41 -1.34 0.00 0.00 175.55 175.04 1fck n GLY 527 N 0.36 -1.82 0.42 8.97 0.00 0.78 -2.14 105.19 111.77 1fck n GLY 527 Ca -0.01 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 1fck n GLY 527 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1fck h TYR 528 N -0.15 -1.18 -0.79 1.61 0.05 -1.93 0.35 116.97 114.93 1fck h TYR 528 Ca 0.00 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.83 1fck h TYR 528 Cb 0.14 0.46 -0.05 0.00 1.01 0.00 0.00 36.73 38.29 1fck h TYR 528 CO 0.00 -0.57 0.49 1.15 -1.05 0.00 0.00 178.16 178.18 1fck h THR 529 N -0.86 1.08 -0.69 -2.88 2.02 -1.88 -1.39 112.91 108.30 1fck h THR 529 Ca -0.06 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 1fck h THR 529 Cb 0.74 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1fck h THR 529 CO -0.04 0.17 0.29 1.23 0.37 0.00 0.00 175.52 177.54 1fck h GLY 530 N 0.93 1.10 1.42 2.16 0.00 -1.16 -0.87 103.07 106.65 1fck h GLY 530 Ca 0.33 -0.59 -0.12 0.00 0.00 0.00 0.00 47.33 46.95 1fck h GLY 530 CO -0.14 0.55 -0.31 0.00 0.00 0.00 0.00 176.54 176.64 1fck h ALA 531 N 1.13 0.87 -0.28 3.60 0.00 0.19 -1.58 119.26 123.20 1fck h ALA 531 Ca 0.23 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1fck h ALA 531 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1fck h ALA 531 CO -0.02 0.63 -0.06 0.35 0.00 0.00 0.00 179.25 180.15 1fck h PHE 532 N 0.56 0.59 -0.83 0.00 3.57 -1.06 -2.69 116.94 117.08 1fck h PHE 532 Ca 0.07 -0.12 0.06 0.00 3.53 0.00 0.00 57.97 61.50 1fck h PHE 532 Cb 0.81 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 1fck h PHE 532 CO 0.04 0.73 0.54 -0.09 -2.23 0.00 0.00 178.31 177.29 1fck h ARG 533 N 0.29 0.89 -0.16 1.11 2.43 -0.98 0.22 114.38 118.17 1fck h ARG 533 Ca 0.07 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1fck h ARG 533 Cb 0.53 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1fck h ARG 533 CO 0.03 0.59 0.12 0.00 -1.51 0.00 0.00 179.97 179.19 1fck h LEU 535 N 0.00 0.15 -2.53 0.00 5.85 -0.56 -0.78 115.31 117.45 1fck h LEU 535 Ca 0.07 -0.76 0.01 0.00 0.84 0.00 0.00 57.88 58.04 1fck h LEU 535 Cb 0.31 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1fck h LEU 535 CO -0.00 1.43 0.06 0.00 -0.34 0.00 0.00 178.44 179.59 1fck h ALA 536 N -0.20 1.44 -0.55 1.25 0.00 -0.39 -0.11 119.26 120.71 1fck h ALA 536 Ca -0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1fck h ALA 536 Cb 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1fck h ALA 536 CO -0.05 -0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.50 1fck n GLU 537 N -3.59 4.50 -1.98 0.00 1.02 -0.39 -4.94 120.64 115.26 1fck n GLU 537 Ca -0.02 -3.09 -0.20 0.00 -0.02 0.00 0.00 57.16 53.83 1fck n GLU 537 Cb 0.15 -2.16 -0.05 0.00 -0.02 0.00 0.00 31.44 29.36 1fck n GLU 537 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1fck n ASN 538 N 0.57 -5.58 0.10 1.62 3.02 -0.05 -4.87 115.26 110.06 1fck n ASN 538 Ca 0.27 0.26 -0.23 0.00 -0.03 0.00 0.00 54.58 54.85 1fck n ASN 538 Cb 1.12 -4.80 -0.13 0.00 -0.61 0.00 0.00 39.78 35.36 1fck n ASN 538 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fck h ALA 539 N 0.51 -0.02 -1.90 5.41 0.00 -1.36 -3.47 119.26 118.43 1fck h ALA 539 Ca -0.45 -0.78 -0.54 0.00 0.00 0.00 0.00 54.91 53.14 1fck h ALA 539 Cb 1.34 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 19.12 1fck h ALA 539 CO 0.59 0.69 -0.62 0.20 0.00 0.00 0.00 179.25 180.12 1fck s GLY 540 N -4.46 2.21 -0.02 0.00 0.00 -0.65 -4.90 107.32 99.51 1fck s GLY 540 Ca -0.09 -2.13 0.21 0.00 0.00 0.00 0.00 44.72 42.70 1fck s GLY 540 CO 0.94 -1.93 0.62 1.22 0.00 0.00 0.00 173.10 173.94 1fck n ASP 541 N -0.78 0.43 -3.79 1.64 8.00 -0.08 -4.63 116.55 117.35 1fck n ASP 541 Ca -0.04 -0.36 -0.13 0.00 0.71 0.00 0.00 54.79 54.98 1fck n ASP 541 Cb 0.66 1.62 -0.11 0.00 -0.02 0.00 0.00 41.12 43.28 1fck n ASP 541 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1fck s VAL 542 N -3.29 0.02 -0.07 2.53 0.11 -1.17 -4.35 120.40 114.19 1fck s VAL 542 Ca -0.02 -0.16 0.03 0.00 -2.93 0.00 0.00 61.98 58.90 1fck s VAL 542 Cb 0.14 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.57 1fck s VAL 542 CO 0.87 -0.09 -0.17 0.00 -3.33 0.00 0.00 175.10 172.38 1fck s ALA 543 N -0.29 1.59 -0.62 1.54 0.00 0.41 -1.18 121.76 123.21 1fck s ALA 543 Ca -0.04 -0.65 -0.16 0.00 0.00 0.00 0.00 51.96 51.11 1fck s ALA 543 Cb -0.03 -0.60 0.15 0.00 0.00 0.00 0.00 23.12 22.64 1fck s ALA 543 CO 0.01 0.22 0.57 -0.06 0.00 0.00 0.00 175.76 176.50 1fck s PHE 544 N 0.35 3.38 0.00 0.00 0.40 -0.39 -0.85 117.98 120.87 1fck s PHE 544 Ca -0.12 -1.46 0.00 0.00 -0.60 0.00 0.00 56.93 54.75 1fck s PHE 544 Cb -0.15 -3.81 0.00 0.00 0.51 0.00 0.00 43.02 39.57 1fck s PHE 544 CO 0.04 -1.02 0.00 1.33 0.70 0.00 0.00 175.22 176.28 1fck n VAL 545 N 4.93 0.00 -4.00 -0.44 0.24 -1.01 -3.04 118.33 115.01 1fck n VAL 545 Ca -0.07 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.01 1fck n VAL 545 Cb 0.42 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.74 1fck n VAL 545 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1fck s LYS 546 N 0.34 2.72 0.14 7.34 -2.85 -1.26 -0.11 119.74 126.05 1fck s LYS 546 Ca 0.00 -1.25 -0.18 0.00 -1.00 0.00 0.00 55.97 53.54 1fck s LYS 546 Cb 0.00 -2.45 -0.01 0.00 -2.06 0.00 0.00 37.83 33.32 1fck s LYS 546 CO 0.00 0.23 1.76 0.38 0.10 0.00 0.00 175.35 177.82 1fck h ASP 547 N 1.43 0.16 0.11 0.03 2.03 -1.82 -2.50 116.42 115.86 1fck h ASP 547 Ca -0.46 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 1fck h ASP 547 Cb 1.25 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 1fck h ASP 547 CO 0.60 0.13 0.00 1.33 -1.03 0.00 0.00 179.24 180.26 1fck n VAL 548 N -5.00 1.47 -0.05 4.15 0.24 -1.26 -2.09 118.33 115.79 1fck n VAL 548 Ca -0.01 0.53 -0.10 0.00 -2.04 0.00 0.00 64.34 62.72 1fck n VAL 548 Cb 0.08 -1.50 0.04 0.00 -1.47 0.00 0.00 33.84 30.99 1fck n VAL 548 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1fck h THR 549 N 0.00 1.29 0.19 3.34 2.02 -1.86 -1.82 112.91 116.07 1fck h THR 549 Ca 0.00 -1.60 -0.01 0.00 0.77 0.00 0.00 66.41 65.57 1fck h THR 549 Cb 0.06 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1fck h THR 549 CO 0.00 0.52 -0.09 0.58 0.37 0.00 0.00 175.52 176.90 1fck h VAL 550 N 0.59 0.90 -0.82 3.16 2.07 -1.57 -2.83 116.25 117.74 1fck h VAL 550 Ca 0.04 -0.84 0.20 0.00 0.82 0.00 0.00 66.70 66.93 1fck h VAL 550 Cb 0.97 1.37 -0.13 0.00 -1.52 0.00 0.00 31.29 31.98 1fck h VAL 550 CO 0.09 0.18 0.17 -0.07 0.02 0.00 0.00 177.57 177.96 1fck h LEU 551 N -0.70 -0.08 -1.49 2.57 4.07 -1.60 0.65 115.31 118.73 1fck h LEU 551 Ca -0.03 0.19 -0.03 0.00 0.08 0.00 0.00 57.88 58.09 1fck h LEU 551 Cb 0.49 0.27 -0.00 0.00 1.08 0.00 0.00 40.66 42.50 1fck h LEU 551 CO 0.04 -0.14 -0.15 1.56 -1.08 0.00 0.00 178.44 178.67 1fck h GLN 552 N 0.20 0.00 -0.30 1.13 4.20 -1.30 -3.19 115.11 115.85 1fck h GLN 552 Ca 0.49 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 59.06 1fck h GLN 552 Cb 0.93 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.63 1fck h GLN 552 CO -0.63 0.15 -0.12 0.09 -0.67 0.00 0.00 178.83 177.66 1fck n ASN 553 N -3.41 2.49 -4.20 1.46 3.02 0.19 -3.48 115.26 111.32 1fck n ASN 553 Ca -0.01 -3.72 -0.12 0.00 -0.03 0.00 0.00 54.58 50.71 1fck n ASN 553 Cb 0.34 -0.61 -0.10 0.00 -0.61 0.00 0.00 39.78 38.79 1fck n ASN 553 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1fck s THR 554 N -3.21 0.15 -1.17 3.41 -4.23 -1.01 -4.76 115.64 104.82 1fck s THR 554 Ca 0.43 -1.97 -0.24 0.00 -1.18 0.00 0.00 61.69 58.74 1fck s THR 554 Cb 0.39 -2.31 0.01 0.00 1.34 0.00 0.00 72.50 71.93 1fck s THR 554 CO -0.00 -0.21 0.75 0.47 -0.54 0.00 0.00 174.62 175.08 1fck n ASP 555 N -0.22 -4.78 0.00 3.99 8.00 0.12 -1.30 116.55 122.36 1fck n ASP 555 Ca -0.02 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.38 1fck n ASP 555 Cb 0.65 -2.88 0.00 0.00 -0.02 0.00 0.00 41.12 38.87 1fck n ASP 555 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fck n GLY 556 N -1.82 0.00 0.26 0.44 0.00 -1.25 -4.73 105.19 98.10 1fck n GLY 556 Ca -0.11 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.09 1fck n GLY 556 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1fck h ASN 557 N 0.00 0.00 -3.18 1.61 2.35 -1.43 -3.34 115.58 111.59 1fck h ASN 557 Ca 0.00 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.25 1fck h ASN 557 Cb 0.00 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 37.97 1fck h ASN 557 CO 0.00 0.00 -0.76 0.21 -1.65 0.00 0.00 177.43 175.23 1fck s ASN 558 N -4.69 2.79 -1.07 5.81 3.84 -1.23 -4.83 114.94 115.56 1fck s ASN 558 Ca -0.04 -0.80 -0.14 0.00 0.21 0.00 0.00 52.86 52.09 1fck s ASN 558 Cb 0.10 -0.48 0.19 0.00 -0.55 0.00 0.00 41.25 40.51 1fck s ASN 558 CO 0.33 -0.33 1.20 0.20 -2.79 0.00 0.00 177.10 175.71 1fck s ASN 559 N 1.95 6.98 0.01 -4.21 -0.87 -1.26 -3.63 114.94 113.91 1fck s ASN 559 Ca 0.01 -2.85 -0.01 0.00 -1.57 0.00 0.00 52.86 48.44 1fck s ASN 559 Cb -0.17 -2.33 -0.01 0.00 -0.02 0.00 0.00 41.25 38.72 1fck s ASN 559 CO -0.10 -0.70 -0.00 -0.70 -2.57 0.00 0.00 177.10 173.03 1fck s GLU 560 N 1.05 0.23 0.00 -0.60 2.12 -1.26 -4.94 118.70 115.31 1fck s GLU 560 Ca 0.34 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.28 1fck s GLU 560 Cb -0.06 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.42 1fck s GLU 560 CO -0.05 -0.04 0.42 0.00 -0.54 0.00 0.00 175.26 175.04 1fck n ALA 561 N 2.05 0.00 -0.01 6.30 0.00 -1.26 0.72 120.51 128.31 1fck n ALA 561 Ca -0.20 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.43 1fck n ALA 561 Cb 0.57 0.21 0.67 0.00 0.00 0.00 0.00 19.45 20.89 1fck n ALA 561 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1fck h TRP 562 N 0.00 0.05 -0.01 0.00 5.08 -1.98 -3.05 115.95 116.04 1fck h TRP 562 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1fck h TRP 562 Cb 0.00 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 26.14 1fck h TRP 562 CO -0.26 0.02 -0.04 0.00 -1.28 0.00 0.00 178.44 176.88 1fck n ALA 563 N -2.63 2.55 -0.25 0.11 0.00 -0.22 -4.74 120.51 115.33 1fck n ALA 563 Ca 0.10 -0.55 0.06 0.00 0.00 0.00 0.00 53.44 53.05 1fck n ALA 563 Cb 0.59 -0.35 0.18 0.00 0.00 0.00 0.00 19.45 19.87 1fck n ALA 563 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1fck h LYS 564 N 1.87 0.24 -0.29 0.00 3.64 0.41 -2.84 116.57 119.60 1fck h LYS 564 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1fck h LYS 564 Cb 0.42 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1fck h LYS 564 CO 0.00 0.16 0.00 -0.25 -2.27 0.00 0.00 179.45 177.09 1fck n ASP 565 N -5.18 3.12 -4.77 4.20 8.00 -1.26 -3.97 116.55 116.68 1fck n ASP 565 Ca 0.14 -1.91 -0.40 0.00 0.71 0.00 0.00 54.79 53.33 1fck n ASP 565 Cb 0.47 -0.18 -0.01 0.00 -0.02 0.00 0.00 41.12 41.38 1fck n ASP 565 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1fck s LEU 566 N -1.39 4.33 -0.01 0.64 1.43 -1.07 -4.85 118.68 117.75 1fck s LEU 566 Ca 0.32 2.82 0.07 0.00 -1.03 0.00 0.00 54.13 56.31 1fck s LEU 566 Cb 0.19 -3.72 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 1fck s LEU 566 CO 0.27 -0.76 -0.21 -0.54 0.23 0.00 0.00 176.35 175.34 1fck s LYS 567 N -2.03 2.20 0.34 1.70 -0.14 -1.26 0.16 119.74 120.70 1fck s LYS 567 Ca 0.53 -0.88 0.09 0.00 -1.36 0.00 0.00 55.97 54.34 1fck s LYS 567 Cb -0.42 -2.17 0.82 0.00 -1.68 0.00 0.00 37.83 34.38 1fck s LYS 567 CO 0.56 0.57 1.81 1.25 -0.76 0.00 0.00 175.35 178.78 1fck h LEU 568 N 5.21 0.70 -2.24 3.17 5.85 -1.93 -1.26 115.31 124.81 1fck h LEU 568 Ca -0.45 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 1fck h LEU 568 Cb 1.14 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 1fck h LEU 568 CO 0.48 0.28 -0.04 0.00 -0.34 0.00 0.00 178.44 178.81 1fck h ALA 569 N 1.62 1.16 0.00 1.25 0.00 -2.02 -2.66 119.26 118.61 1fck h ALA 569 Ca 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1fck h ALA 569 Cb 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1fck h ALA 569 CO -0.30 0.06 0.00 -0.25 0.00 0.00 0.00 179.25 178.75 1fck n ASP 570 N -3.37 0.34 -3.96 0.00 8.00 -0.48 -4.76 116.55 112.32 1fck n ASP 570 Ca -0.02 -1.94 -0.12 0.00 0.71 0.00 0.00 54.79 53.42 1fck n ASP 570 Cb 0.18 -0.17 -0.13 0.00 -0.02 0.00 0.00 41.12 40.99 1fck n ASP 570 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1fck s PHE 571 N -1.65 0.31 0.26 1.24 0.08 -1.00 -0.96 117.98 116.27 1fck s PHE 571 Ca 0.00 -0.27 0.03 0.00 0.12 0.00 0.00 56.93 56.81 1fck s PHE 571 Cb 0.00 -0.20 -0.06 0.00 -0.57 0.00 0.00 43.02 42.19 1fck s PHE 571 CO 0.00 -0.07 0.03 0.00 -0.10 0.00 0.00 175.22 175.08 1fck s ALA 572 N -0.73 1.96 0.02 5.36 0.00 -0.15 -4.17 121.76 124.05 1fck s ALA 572 Ca -0.06 -1.87 0.04 0.00 0.00 0.00 0.00 51.96 50.07 1fck s ALA 572 Cb -0.05 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 1fck s ALA 572 CO -0.00 -0.31 -0.08 -0.51 0.00 0.00 0.00 175.76 174.86 1fck s LEU 573 N -3.36 3.09 -0.22 0.00 1.02 -0.28 -1.39 118.68 117.54 1fck s LEU 573 Ca 0.33 -0.21 -0.13 0.00 0.02 0.00 0.00 54.13 54.14 1fck s LEU 573 Cb 0.07 -1.79 -0.04 0.00 0.02 0.00 0.00 46.19 44.44 1fck s LEU 573 CO 0.12 0.27 0.27 -0.76 0.02 0.00 0.00 176.35 176.26 1fck s LEU 574 N -1.52 4.14 0.28 1.79 1.02 -0.75 -2.50 118.68 121.14 1fck s LEU 574 Ca 0.17 0.31 0.03 0.00 0.02 0.00 0.00 54.13 54.66 1fck s LEU 574 Cb -0.11 -2.30 -0.03 0.00 0.02 0.00 0.00 46.19 43.77 1fck s LEU 574 CO 0.08 0.01 0.43 0.00 0.02 0.00 0.00 176.35 176.89 1fck n LEU 576 N -1.51 0.60 -0.87 0.00 7.99 -1.26 -2.43 117.00 119.52 1fck n LEU 576 Ca -0.07 0.69 0.11 0.00 -0.01 0.00 0.00 56.01 56.73 1fck n LEU 576 Cb 0.56 -0.66 0.28 0.00 -0.11 0.00 0.00 43.42 43.49 1fck n LEU 576 CO 0.47 -0.69 0.73 -0.90 -1.51 0.00 0.00 177.39 175.48 1fck n ASP 577 N -2.21 2.60 0.00 -1.43 5.68 -1.26 -4.93 116.55 115.00 1fck n ASP 577 Ca 0.01 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 1fck n ASP 577 Cb 0.15 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 1fck n ASP 577 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fck n GLY 578 N 1.32 3.33 3.72 6.12 0.00 -1.02 -5.05 105.19 113.61 1fck n GLY 578 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1fck n GLY 578 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fck s LYS 579 N -0.69 1.49 -0.08 1.61 3.01 -1.26 -4.65 119.74 119.17 1fck s LYS 579 Ca 0.00 1.02 0.01 0.00 -1.01 0.00 0.00 55.97 55.99 1fck s LYS 579 Cb 0.00 -1.82 0.02 0.00 -1.01 0.00 0.00 37.83 35.02 1fck s LYS 579 CO 0.00 -2.14 -0.10 1.03 0.51 0.00 0.00 175.35 174.65 1fck s ARG 580 N -4.87 1.60 0.39 1.68 0.52 -1.26 -2.00 118.95 115.01 1fck s ARG 580 Ca 0.63 -0.34 0.04 0.00 -0.52 0.00 0.00 55.73 55.54 1fck s ARG 580 Cb -0.18 -1.46 -0.06 0.00 0.52 0.00 0.00 34.95 33.77 1fck s ARG 580 CO 0.57 -0.09 0.04 0.15 0.02 0.00 0.00 175.30 175.99 1fck s LYS 581 N 1.08 1.86 0.62 3.54 1.02 -1.04 -4.94 119.74 121.89 1fck s LYS 581 Ca -0.07 -2.08 -0.12 0.00 0.02 0.00 0.00 55.97 53.73 1fck s LYS 581 Cb -0.14 -1.16 -0.03 0.00 -0.52 0.00 0.00 37.83 35.97 1fck s LYS 581 CO -0.01 -0.21 1.03 -2.14 -0.92 0.00 0.00 175.35 173.10 1fck s PRO 582 N -3.81 3.48 0.32 -1.68 0.02 -1.26 -1.13 135.00 130.95 1fck s PRO 582 Ca 0.30 0.84 0.07 0.00 0.02 0.00 0.00 61.00 62.23 1fck s PRO 582 Cb 0.07 -2.06 0.75 0.00 0.02 0.00 0.00 34.50 33.28 1fck s PRO 582 CO 0.14 -0.66 1.82 0.28 -0.33 0.00 0.00 177.00 178.26 1fck h VAL 583 N -0.24 0.79 0.00 3.83 2.07 -1.88 0.27 116.25 121.10 1fck h VAL 583 Ca -0.44 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1fck h VAL 583 Cb 1.19 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1fck h VAL 583 CO 0.61 0.14 0.00 0.35 0.02 0.00 0.00 177.57 178.69 1fck n THR 584 N -4.65 1.49 -0.84 2.57 -2.24 -1.26 -1.29 114.28 108.07 1fck n THR 584 Ca 0.20 0.37 0.08 0.00 -2.27 0.00 0.00 64.05 62.44 1fck n THR 584 Cb 0.51 -1.34 0.25 0.00 -2.10 0.00 0.00 70.33 67.64 1fck n THR 584 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1fck n GLU 585 N -1.40 2.98 -0.24 -0.78 1.02 0.08 -4.64 120.64 117.66 1fck n GLU 585 Ca 0.01 -2.71 0.31 0.00 -0.02 0.00 0.00 57.16 54.74 1fck n GLU 585 Cb 0.02 -1.76 0.73 0.00 -0.02 0.00 0.00 31.44 30.41 1fck n GLU 585 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fck h ALA 586 N 1.92 2.94 -0.52 0.62 0.00 -1.30 0.58 119.26 123.50 1fck h ALA 586 Ca 0.00 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.03 1fck h ALA 586 Cb 1.34 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1fck h ALA 586 CO 0.19 -1.23 0.37 -0.09 0.00 0.00 0.00 179.25 178.49 1fck h ARG 587 N 0.02 0.01 -0.07 0.00 9.65 -1.85 -0.06 114.38 122.08 1fck h ARG 587 Ca 0.49 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.37 1fck h ARG 587 Cb 1.92 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.50 1fck h ARG 587 CO -0.02 0.01 0.00 -1.13 2.80 0.00 0.00 179.97 181.63 1fck n SER 588 N -4.39 2.63 -2.91 -3.80 3.41 0.17 -4.80 113.62 103.94 1fck n SER 588 Ca 0.09 -2.80 -0.12 0.00 -0.26 0.00 0.00 58.87 55.78 1fck n SER 588 Cb 0.59 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1fck n SER 588 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fck s HIS 590 N 0.30 0.28 0.24 0.00 -0.00 -1.19 -4.57 115.29 110.36 1fck s HIS 590 Ca 0.32 -0.61 0.04 0.00 -0.00 0.00 0.00 55.06 54.81 1fck s HIS 590 Cb 0.14 -0.21 0.28 0.00 -0.00 0.00 0.00 32.58 32.79 1fck s HIS 590 CO -0.17 -0.31 1.58 -0.07 -0.00 0.00 0.00 174.74 175.78 1fck h LEU 591 N 3.90 0.32 0.00 5.38 3.38 -1.22 -3.44 115.31 123.63 1fck h LEU 591 Ca -0.33 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1fck h LEU 591 Cb 1.18 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1fck h LEU 591 CO 0.50 0.80 0.00 0.00 0.09 0.00 0.00 178.44 179.84 1fck n ALA 592 N -2.48 0.00 -2.68 1.53 0.00 -1.20 -5.03 120.51 110.65 1fck n ALA 592 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.03 1fck n ALA 592 Cb 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 1fck n ALA 592 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1fck s MET 593 N -2.00 4.37 -0.08 0.00 -1.94 -1.26 -1.15 119.30 117.23 1fck s MET 593 Ca 0.00 0.64 -0.00 0.00 -1.71 0.00 0.00 55.69 54.62 1fck s MET 593 Cb 0.00 -3.42 -0.03 0.00 2.01 0.00 0.00 34.83 33.39 1fck s MET 593 CO 0.00 0.16 -0.04 0.00 -0.01 0.00 0.00 175.02 175.13 1fck s ALA 594 N 0.54 3.10 0.45 3.03 0.00 -0.20 -4.94 121.76 123.74 1fck s ALA 594 Ca 0.31 -0.85 -0.24 0.00 0.00 0.00 0.00 51.96 51.18 1fck s ALA 594 Cb -0.16 -1.34 -0.08 0.00 0.00 0.00 0.00 23.12 21.54 1fck s ALA 594 CO 0.14 0.56 1.20 -1.25 0.00 0.00 0.00 175.76 176.42 1fck s PRO 595 N -0.79 3.80 0.95 0.00 0.04 -1.26 -1.69 135.00 136.04 1fck s PRO 595 Ca 0.12 1.88 -0.11 0.00 0.04 0.00 0.00 61.00 62.93 1fck s PRO 595 Cb -0.11 -2.50 0.11 0.00 0.04 0.00 0.00 34.50 32.04 1fck s PRO 595 CO 0.02 -0.55 0.84 0.09 0.04 0.00 0.00 177.00 177.44 1fck n ASN 596 N -0.32 -0.73 -4.77 6.66 4.13 -1.26 -4.39 115.26 114.58 1fck n ASN 596 Ca 0.06 0.35 -0.34 0.00 1.68 0.00 0.00 54.58 56.34 1fck n ASN 596 Cb 0.47 -1.36 0.03 0.00 -1.54 0.00 0.00 39.78 37.38 1fck n ASN 596 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1fck s HIS 597 N -2.53 2.68 0.05 3.10 3.76 -1.26 -4.40 115.29 116.68 1fck s HIS 597 Ca 0.63 1.55 0.00 0.00 -0.15 0.00 0.00 55.06 57.09 1fck s HIS 597 Cb -0.22 -3.19 -0.03 0.00 1.11 0.00 0.00 32.58 30.24 1fck s HIS 597 CO 0.62 -1.58 -0.05 0.00 -0.85 0.00 0.00 174.74 172.88 1fck s ALA 598 N -2.15 0.49 -0.18 -1.40 0.00 -0.53 -0.60 121.76 117.39 1fck s ALA 598 Ca 0.69 -0.97 -0.20 0.00 0.00 0.00 0.00 51.96 51.48 1fck s ALA 598 Cb -0.21 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1fck s ALA 598 CO 0.36 -0.22 0.59 0.08 0.00 0.00 0.00 175.76 176.57 1fck s VAL 599 N -2.67 5.06 0.26 0.00 1.01 0.17 -0.06 120.40 124.17 1fck s VAL 599 Ca -0.02 1.11 0.09 0.00 0.00 0.00 0.00 61.98 63.16 1fck s VAL 599 Cb -0.01 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1fck s VAL 599 CO -0.04 0.16 0.05 0.68 0.00 0.00 0.00 175.10 175.94 1fck s VAL 600 N 1.64 3.71 0.24 2.92 -7.23 -0.68 0.21 120.40 121.22 1fck s VAL 600 Ca 0.28 -1.77 -0.16 0.00 -1.81 0.00 0.00 61.98 58.52 1fck s VAL 600 Cb -0.16 -2.99 0.06 0.00 0.56 0.00 0.00 36.38 33.85 1fck s VAL 600 CO 0.11 -0.36 0.78 -0.24 -0.31 0.00 0.00 175.10 175.08 1fck n SER 601 N -0.94 -1.69 -4.86 4.85 2.88 -0.30 -3.52 113.62 110.04 1fck n SER 601 Ca -0.07 -2.04 -0.31 0.00 -1.33 0.00 0.00 58.87 55.12 1fck n SER 601 Cb 0.59 2.79 -0.03 0.00 -0.75 0.00 0.00 64.21 66.80 1fck n SER 601 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1fck s ARG 602 N -2.06 3.82 0.50 -1.46 0.52 -1.26 -1.13 118.95 117.89 1fck s ARG 602 Ca 0.17 0.64 0.19 0.00 -0.52 0.00 0.00 55.73 56.21 1fck s ARG 602 Cb -0.03 -2.29 1.27 0.00 0.52 0.00 0.00 34.95 34.42 1fck s ARG 602 CO 0.07 -0.15 2.05 0.52 0.02 0.00 0.00 175.30 177.81 1fck h MET 603 N 1.03 0.09 0.00 3.54 2.86 -1.94 -2.11 114.93 118.40 1fck h MET 603 Ca -0.47 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1fck h MET 603 Cb 1.19 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.83 1fck h MET 603 CO 0.63 0.06 0.00 -0.40 1.06 0.00 0.00 176.91 178.26 1fck n ASP 604 N -4.46 0.00 -0.06 1.22 5.68 -1.26 -3.13 116.55 114.55 1fck n ASP 604 Ca 0.05 0.15 0.04 0.00 -0.50 0.00 0.00 54.79 54.52 1fck n ASP 604 Cb 0.36 -0.36 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 1fck n ASP 604 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1fck n LYS 605 N -1.36 3.66 -0.09 0.11 4.76 -0.80 -4.81 118.16 119.63 1fck n LYS 605 Ca 0.09 -0.18 -0.05 0.00 -2.87 0.00 0.00 58.31 55.30 1fck n LYS 605 Cb 0.21 -0.93 -0.04 0.00 -1.84 0.00 0.00 35.03 32.43 1fck n LYS 605 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1fck h VAL 606 N 0.30 0.00 -0.61 -0.18 2.07 -1.48 0.37 116.25 116.71 1fck h VAL 606 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1fck h VAL 606 Cb 0.22 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.94 1fck h VAL 606 CO 0.00 0.00 0.33 -0.33 0.02 0.00 0.00 177.57 177.59 1fck h GLU 607 N -0.11 0.59 -0.12 1.57 4.39 -1.87 0.64 114.58 119.67 1fck h GLU 607 Ca 0.04 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 1fck h GLU 607 Cb 0.22 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1fck h GLU 607 CO -0.29 0.39 0.01 -0.09 -1.16 0.00 0.00 179.01 177.87 1fck h ARG 608 N 0.61 0.21 -0.50 2.33 9.65 -1.82 -2.55 114.38 122.31 1fck h ARG 608 Ca 0.28 -0.06 0.06 0.00 -1.10 0.00 0.00 59.98 59.16 1fck h ARG 608 Cb 0.18 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.69 1fck h ARG 608 CO -0.18 0.42 0.19 1.25 2.80 0.00 0.00 179.97 184.45 1fck h LEU 609 N -0.04 0.21 -0.56 3.80 5.85 0.07 -1.24 115.31 123.41 1fck h LEU 609 Ca 0.04 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1fck h LEU 609 Cb 0.32 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 1fck h LEU 609 CO 0.00 0.15 0.29 0.50 -0.34 0.00 0.00 178.44 179.04 1fck h LYS 610 N 0.37 0.54 -0.03 1.25 3.64 -0.80 -0.19 116.57 121.37 1fck h LYS 610 Ca 0.23 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.41 1fck h LYS 610 Cb 0.23 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1fck h LYS 610 CO -0.23 0.36 -0.75 -0.56 -2.27 0.00 0.00 179.45 176.01 1fck h GLN 611 N 0.56 0.18 0.00 1.90 3.07 -1.02 -2.27 115.11 117.53 1fck h GLN 611 Ca 0.25 -0.16 -0.00 0.00 0.09 0.00 0.00 58.65 58.82 1fck h GLN 611 Cb 0.14 0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.74 1fck h GLN 611 CO -0.16 0.85 -0.00 0.28 0.09 0.00 0.00 178.83 179.88 1fck h VAL 612 N 0.12 1.31 -0.68 1.86 2.07 -0.87 -1.78 116.25 118.27 1fck h VAL 612 Ca -0.02 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1fck h VAL 612 Cb 1.32 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.98 1fck h VAL 612 CO 0.11 0.24 0.40 -0.07 0.02 0.00 0.00 177.57 178.27 1fck h LEU 613 N -0.39 0.82 -0.67 2.57 3.38 -1.08 0.23 115.31 120.17 1fck h LEU 613 Ca -0.00 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1fck h LEU 613 Cb 0.39 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1fck h LEU 613 CO 0.00 0.64 0.02 -0.07 0.09 0.00 0.00 178.44 179.12 1fck h LEU 614 N 0.94 1.03 -0.01 1.67 3.38 -1.36 -0.38 115.31 120.58 1fck h LEU 614 Ca 0.25 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1fck h LEU 614 Cb -0.02 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 1fck h LEU 614 CO -0.04 1.07 -0.01 -0.74 0.09 0.00 0.00 178.44 178.81 1fck h HIS 615 N 0.97 0.02 -0.82 1.13 2.76 -0.68 -2.88 115.15 115.65 1fck h HIS 615 Ca 0.18 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.43 1fck h HIS 615 Cb 0.53 -0.01 -0.07 0.00 1.55 0.00 0.00 27.41 29.41 1fck h HIS 615 CO 0.04 0.46 0.47 1.96 -1.30 0.00 0.00 177.93 179.56 1fck h GLN 616 N -0.42 0.77 0.00 5.26 1.08 -0.42 -2.06 115.11 119.31 1fck h GLN 616 Ca 0.00 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.08 1fck h GLN 616 Cb 0.46 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 1fck h GLN 616 CO 0.00 0.51 -0.35 -0.56 -0.95 0.00 0.00 178.83 177.48 1fck h GLN 617 N 0.79 0.00 0.00 1.46 3.07 -1.10 0.13 115.11 119.46 1fck h GLN 617 Ca 0.39 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 59.06 1fck h GLN 617 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.90 1fck h GLN 617 CO -0.24 0.35 -0.32 0.00 0.09 0.00 0.00 178.83 178.71 1fck h ALA 618 N 1.65 1.36 0.10 0.06 0.00 -1.15 1.21 119.26 122.49 1fck h ALA 618 Ca -0.00 -0.29 -0.28 0.00 0.00 0.00 0.00 54.91 54.33 1fck h ALA 618 Cb 0.96 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1fck h ALA 618 CO 0.05 0.40 -1.46 0.87 0.00 0.00 0.00 179.25 179.10 1fck h LYS 619 N 0.00 0.20 -0.03 0.00 1.57 -1.14 -2.77 116.57 114.40 1fck h LYS 619 Ca -0.00 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1fck h LYS 619 Cb 0.61 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1fck h LYS 619 CO 0.04 1.17 0.00 1.19 -0.57 0.00 0.00 179.45 181.28 1fck n PHE 620 N -3.94 0.09 -0.35 -1.35 3.72 0.42 -0.55 117.46 115.50 1fck n PHE 620 Ca -0.27 -0.84 0.00 0.00 -0.05 0.00 0.00 57.45 56.29 1fck n PHE 620 Cb 0.88 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 1fck n PHE 620 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fck n GLY 621 N -1.05 -1.98 0.20 1.37 0.00 0.42 -1.52 105.19 102.63 1fck n GLY 621 Ca 0.12 -1.48 -0.05 0.00 0.00 0.00 0.00 46.02 44.60 1fck n GLY 621 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1fck h ARG 622 N 0.00 0.52 -0.21 1.61 1.12 -1.80 -2.71 114.38 112.91 1fck h ARG 622 Ca 0.00 -0.03 -0.15 0.00 -1.11 0.00 0.00 59.98 58.69 1fck h ARG 622 Cb 0.00 -0.12 -0.11 0.00 -0.01 0.00 0.00 29.97 29.73 1fck h ARG 622 CO 0.00 0.34 -0.54 0.09 -3.11 0.00 0.00 179.97 176.76 1fck n ASN 623 N -4.85 2.58 -4.73 -3.80 5.03 -1.26 -4.99 115.26 103.24 1fck n ASN 623 Ca 0.03 -3.86 -0.30 0.00 0.87 0.00 0.00 54.58 51.32 1fck n ASN 623 Cb 0.09 -0.50 0.14 0.00 -1.02 0.00 0.00 39.78 38.50 1fck n ASN 623 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1fck s GLY 624 N -3.27 1.61 0.01 7.41 0.00 -1.02 -5.01 107.32 107.05 1fck s GLY 624 Ca 0.42 -0.17 -0.11 0.00 0.00 0.00 0.00 44.72 44.86 1fck s GLY 624 CO -0.04 0.34 0.93 1.76 0.00 0.00 0.00 173.10 176.09 1fck h SER 625 N -1.54 -0.35 0.00 1.64 0.02 -1.14 -3.26 113.55 108.92 1fck h SER 625 Ca -0.50 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1fck h SER 625 Cb 1.29 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.92 1fck h SER 625 CO 0.56 -0.20 0.00 0.47 -1.14 0.00 0.00 176.83 176.52 1fck n ASP 626 N -3.36 0.00 -4.27 3.07 9.92 0.29 -4.66 116.55 117.54 1fck n ASP 626 Ca -0.05 -0.76 -0.32 0.00 -0.53 0.00 0.00 54.79 53.12 1fck n ASP 626 Cb 0.16 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.48 1fck n ASP 626 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1fck n PRO 628 N 3.58 3.29 0.22 0.00 -0.04 -1.26 -4.64 135.00 136.15 1fck n PRO 628 Ca -0.19 -1.97 -0.15 0.00 -0.04 0.00 0.00 63.50 61.16 1fck n PRO 628 Cb 0.53 -1.90 -0.07 0.00 -0.04 0.00 0.00 33.50 32.01 1fck n PRO 628 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1fck h ASP 629 N 2.58 -0.70 0.00 3.54 3.32 -1.76 -3.40 116.42 120.00 1fck h ASP 629 Ca 0.00 0.05 -0.28 0.00 0.02 0.00 0.00 57.03 56.83 1fck h ASP 629 Cb 1.33 0.22 -0.04 0.00 0.22 0.00 0.00 39.33 41.06 1fck h ASP 629 CO 0.27 -0.41 -1.91 1.17 -1.72 0.00 0.00 179.24 176.64 1fck n LYS 630 N -5.40 0.35 -3.56 3.56 3.00 0.25 -5.10 118.16 111.26 1fck n LYS 630 Ca -0.10 0.15 -0.15 0.00 -0.00 0.00 0.00 58.31 58.21 1fck n LYS 630 Cb 0.30 -1.09 -0.06 0.00 0.00 0.00 0.00 35.03 34.18 1fck n LYS 630 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1fck s PHE 631 N -2.31 -0.62 -0.16 5.64 5.36 -0.11 -5.02 117.98 120.75 1fck s PHE 631 Ca -0.23 1.22 -0.00 0.00 -0.96 0.00 0.00 56.93 56.95 1fck s PHE 631 Cb 0.09 0.38 0.04 0.00 -0.34 0.00 0.00 43.02 43.19 1fck s PHE 631 CO 0.29 -0.49 -0.08 0.00 -1.46 0.00 0.00 175.22 173.48 1fck h LEU 633 N 8.08 0.85 -3.33 0.00 3.38 -1.58 -3.04 115.31 119.67 1fck h LEU 633 Ca -0.28 -0.01 -0.34 0.00 0.09 0.00 0.00 57.88 57.34 1fck h LEU 633 Cb 1.12 -0.19 -0.20 0.00 0.09 0.00 0.00 40.66 41.47 1fck h LEU 633 CO 0.44 0.59 0.44 0.49 0.09 0.00 0.00 178.44 180.49 1fck n PHE 634 N -4.59 2.06 -4.63 1.13 3.72 -1.26 -4.74 117.46 109.15 1fck n PHE 634 Ca 0.09 -1.39 -0.23 0.00 -0.05 0.00 0.00 57.45 55.87 1fck n PHE 634 Cb 0.07 -0.71 -0.15 0.00 -0.94 0.00 0.00 39.48 37.74 1fck n PHE 634 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1fck s GLN 635 N -2.21 1.23 0.00 -1.08 1.11 -1.15 -4.20 119.66 113.35 1fck s GLN 635 Ca 0.38 -0.48 0.00 0.00 0.01 0.00 0.00 55.36 55.27 1fck s GLN 635 Cb 0.32 -1.15 0.00 0.00 -1.01 0.00 0.00 33.01 31.17 1fck s GLN 635 CO 0.07 0.25 0.28 -1.13 0.01 0.00 0.00 175.29 174.78 1fck n SER 636 N 2.92 0.00 -2.93 5.90 3.41 -1.26 -4.92 113.62 116.75 1fck n SER 636 Ca -0.16 -0.86 -0.03 0.00 -0.26 0.00 0.00 58.87 57.56 1fck n SER 636 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1fck n SER 636 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1fck n GLU 637 N 0.00 -1.65 -1.18 4.33 0.00 -1.26 -3.07 120.64 117.81 1fck n GLU 637 Ca 0.00 1.69 -0.07 0.00 0.00 0.00 0.00 57.16 58.78 1fck n GLU 637 Cb 0.43 -5.58 -0.03 0.00 0.00 0.00 0.00 31.44 26.26 1fck n GLU 637 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1fck n THR 638 N -1.21 0.00 0.37 3.84 5.66 -1.26 -4.73 114.28 116.95 1fck n THR 638 Ca 0.04 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.16 1fck n THR 638 Cb 0.48 -0.66 0.03 0.00 -1.55 0.00 0.00 70.33 68.63 1fck n THR 638 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1fck n LYS 639 N -1.41 0.42 -3.84 1.09 5.02 -1.17 -4.82 118.16 113.45 1fck n LYS 639 Ca -0.07 0.03 -0.26 0.00 -2.02 0.00 0.00 58.31 56.00 1fck n LYS 639 Cb 0.23 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 1fck n LYS 639 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1fck n ASN 640 N -2.24 -1.50 -4.73 4.39 3.02 -1.26 -4.93 115.26 108.01 1fck n ASN 640 Ca 0.01 -0.96 -0.40 0.00 -0.03 0.00 0.00 54.58 53.20 1fck n ASN 640 Cb 0.48 -3.36 -0.05 0.00 -0.61 0.00 0.00 39.78 36.24 1fck n ASN 640 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1fck s LEU 641 N -6.79 4.36 0.00 3.41 1.02 -1.26 -4.40 118.68 115.02 1fck s LEU 641 Ca 0.10 1.23 0.00 0.00 0.02 0.00 0.00 54.13 55.48 1fck s LEU 641 Cb -0.03 -3.08 0.00 0.00 0.02 0.00 0.00 46.19 43.09 1fck s LEU 641 CO 0.86 -0.06 0.00 0.18 0.02 0.00 0.00 176.35 177.36 1fck n LEU 642 N 3.43 0.00 -4.37 1.79 4.32 -1.26 -4.72 117.00 116.20 1fck n LEU 642 Ca -0.02 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.77 1fck n LEU 642 Cb 0.51 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.22 1fck n LEU 642 CO 0.47 0.00 -0.21 -0.36 -1.22 0.00 0.00 177.39 176.06 1fck s PHE 643 N 0.00 1.65 -0.08 -1.77 0.40 -1.26 -4.34 117.98 112.58 1fck s PHE 643 Ca 0.00 -1.28 -0.27 0.00 -0.60 0.00 0.00 56.93 54.78 1fck s PHE 643 Cb 0.00 -0.95 -0.03 0.00 0.51 0.00 0.00 43.02 42.55 1fck s PHE 643 CO 0.00 -0.41 0.85 -0.80 0.70 0.00 0.00 175.22 175.56 1fck s ASN 644 N -3.41 7.12 0.57 1.36 0.01 -1.26 -4.42 114.94 114.91 1fck s ASN 644 Ca 0.34 1.36 0.28 0.00 -0.71 0.00 0.00 52.86 54.14 1fck s ASN 644 Cb 0.05 -2.49 1.49 0.00 0.41 0.00 0.00 41.25 40.72 1fck s ASN 644 CO 0.16 -0.26 1.94 0.44 -1.51 0.00 0.00 177.10 177.87 1fck h ASP 645 N 6.95 0.00 -0.22 -1.22 3.32 -1.91 0.18 116.42 123.52 1fck h ASP 645 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1fck h ASP 645 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1fck h ASP 645 CO 0.78 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.84 1fck n ASN 646 N -3.90 2.54 -4.66 6.45 6.94 -1.26 -4.74 115.26 116.63 1fck n ASN 646 Ca 0.09 -2.29 -0.43 0.00 -0.02 0.00 0.00 54.58 51.93 1fck n ASN 646 Cb 0.64 -0.51 -0.02 0.00 -2.36 0.00 0.00 39.78 37.52 1fck n ASN 646 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1fck s THR 647 N -1.64 4.29 0.06 5.53 2.01 0.63 -4.46 115.64 122.06 1fck s THR 647 Ca 0.19 1.56 -0.16 0.00 0.31 0.00 0.00 61.69 63.59 1fck s THR 647 Cb 0.14 -4.03 -0.22 0.00 0.01 0.00 0.00 72.50 68.40 1fck s THR 647 CO 0.07 -0.17 1.18 -0.08 -0.69 0.00 0.00 174.62 174.93 1fck h GLU 648 N 8.26 0.62 -2.08 4.92 4.81 -0.43 -3.45 114.58 127.23 1fck h GLU 648 Ca -0.26 -0.63 0.24 0.00 -0.13 0.00 0.00 59.36 58.58 1fck h GLU 648 Cb 1.10 0.17 -0.08 0.00 0.63 0.00 0.00 28.75 30.57 1fck h GLU 648 CO 0.98 1.24 0.67 0.00 -0.73 0.00 0.00 179.01 181.16 1fck s LEU 650 N -3.17 4.10 0.34 0.00 1.43 -1.26 -0.36 118.68 119.76 1fck s LEU 650 Ca 0.17 0.28 0.09 0.00 -1.03 0.00 0.00 54.13 53.65 1fck s LEU 650 Cb 0.00 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 1fck s LEU 650 CO 0.01 -0.06 0.03 0.00 0.23 0.00 0.00 176.35 176.55 1fck s ALA 651 N 1.49 3.24 0.62 4.21 0.00 0.41 -4.61 121.76 127.11 1fck s ALA 651 Ca 0.13 -1.95 -0.15 0.00 0.00 0.00 0.00 51.96 50.00 1fck s ALA 651 Cb -0.15 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 1fck s ALA 651 CO 0.08 0.06 1.07 1.03 0.00 0.00 0.00 175.76 178.00 1fck s ARG 652 N -3.73 3.13 0.00 0.00 0.52 -0.74 -0.98 118.95 117.15 1fck s ARG 652 Ca 0.35 1.22 0.26 0.00 -0.52 0.00 0.00 55.73 57.04 1fck s ARG 652 Cb -0.00 -2.01 0.93 0.00 0.52 0.00 0.00 34.95 34.39 1fck s ARG 652 CO 0.20 -0.97 1.67 1.28 0.02 0.00 0.00 175.30 177.50 1fck n LEU 653 N -2.27 1.61 -4.13 2.53 4.77 -1.26 -4.77 117.00 113.46 1fck n LEU 653 Ca 0.09 -0.58 -0.44 0.00 -0.03 0.00 0.00 56.01 55.05 1fck n LEU 653 Cb 0.53 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1fck n LEU 653 CO 0.48 0.29 -0.24 1.41 -1.33 0.00 0.00 177.39 178.01 1fck n HIS 654 N 0.26 -1.36 0.00 -1.77 8.25 -1.26 -1.15 115.22 118.19 1fck n HIS 654 Ca 0.18 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.82 1fck n HIS 654 Cb 0.36 -2.79 0.00 0.00 1.12 0.00 0.00 29.99 28.67 1fck n HIS 654 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fck n GLY 655 N -2.21 2.58 3.40 -1.41 0.00 -1.26 -4.94 105.19 101.36 1fck n GLY 655 Ca -0.16 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 1fck n GLY 655 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fck n LYS 656 N 0.00 1.80 -0.05 1.61 5.02 -0.30 -4.64 118.16 121.60 1fck n LYS 656 Ca 0.00 -2.38 0.12 0.00 -2.02 0.00 0.00 58.31 54.03 1fck n LYS 656 Cb 0.00 -3.44 0.25 0.00 -0.02 0.00 0.00 35.03 31.82 1fck n LYS 656 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1fck n THR 657 N 6.99 0.14 -4.45 -0.18 -2.24 -1.26 -4.49 114.28 108.79 1fck n THR 657 Ca 0.47 -0.48 -0.22 0.00 -2.27 0.00 0.00 64.05 61.54 1fck n THR 657 Cb 0.44 1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 69.60 1fck n THR 657 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1fck s THR 658 N -1.86 1.83 0.24 4.28 -4.23 -1.26 -4.16 115.64 110.48 1fck s THR 658 Ca 0.33 -2.16 -0.01 0.00 -1.18 0.00 0.00 61.69 58.67 1fck s THR 658 Cb 0.21 -2.47 0.03 0.00 1.34 0.00 0.00 72.50 71.61 1fck s THR 658 CO 0.31 -0.30 1.65 0.10 -0.54 0.00 0.00 174.62 175.84 1fck h TYR 659 N 2.23 0.68 -0.55 3.99 -0.00 -1.90 -0.13 116.97 121.29 1fck h TYR 659 Ca -0.40 -0.17 0.00 0.00 -0.00 0.00 0.00 58.73 58.16 1fck h TYR 659 Cb 1.24 -0.16 -0.03 0.00 -0.00 0.00 0.00 36.73 37.78 1fck h TYR 659 CO 0.71 0.83 0.36 0.93 -0.00 0.00 0.00 178.16 180.98 1fck h GLU 660 N 0.51 0.74 0.00 0.10 5.08 -1.95 -0.32 114.58 118.74 1fck h GLU 660 Ca 0.06 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 1fck h GLU 660 Cb 0.77 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1fck h GLU 660 CO 0.06 0.50 -0.89 0.87 -1.00 0.00 0.00 179.01 178.55 1fck h LYS 661 N 0.75 0.00 0.08 2.33 1.57 -1.88 -1.39 116.57 118.02 1fck h LYS 661 Ca 0.20 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.71 1fck h LYS 661 Cb -0.06 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.27 1fck h LYS 661 CO -0.04 0.89 -1.09 -0.92 -0.57 0.00 0.00 179.45 177.72 1fck h TYR 662 N 0.00 0.95 0.00 -1.35 3.20 -0.83 -3.31 116.97 115.64 1fck h TYR 662 Ca -0.01 -0.57 -0.22 0.00 3.14 0.00 0.00 58.73 61.07 1fck h TYR 662 Cb 1.63 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.78 1fck h TYR 662 CO 0.00 1.41 -1.12 -0.07 -1.64 0.00 0.00 178.16 176.74 1fck h LEU 663 N 0.22 0.00 0.00 2.82 3.38 -1.17 -3.48 115.31 117.08 1fck h LEU 663 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1fck h LEU 663 Cb 1.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.52 1fck h LEU 663 CO 0.21 0.97 0.00 0.61 0.09 0.00 0.00 178.44 180.32 1fck n GLY 664 N 1.39 0.42 0.27 0.83 0.00 -0.52 -4.40 105.19 103.17 1fck n GLY 664 Ca -0.03 -1.47 0.06 0.00 0.00 0.00 0.00 46.02 44.57 1fck n GLY 664 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fck h PRO 665 N 0.00 0.23 0.14 1.61 0.13 -1.91 -1.38 132.00 130.82 1fck h PRO 665 Ca 0.00 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 1fck h PRO 665 Cb 0.00 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.08 1fck h PRO 665 CO 0.00 0.15 -0.07 1.96 -0.23 0.00 0.00 178.00 179.81 1fck h GLN 666 N 0.24 -0.19 -0.75 0.86 4.20 -1.94 0.86 115.11 118.39 1fck h GLN 666 Ca 0.41 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.12 1fck h GLN 666 Cb 0.72 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.50 1fck h GLN 666 CO -0.53 0.02 0.42 -0.92 -0.67 0.00 0.00 178.83 177.14 1fck h TYR 667 N -0.36 1.02 -0.67 2.96 3.20 -1.72 0.11 116.97 121.50 1fck h TYR 667 Ca -0.02 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.77 1fck h TYR 667 Cb 0.29 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 1fck h TYR 667 CO -0.02 0.71 0.20 0.28 -1.64 0.00 0.00 178.16 177.69 1fck h VAL 668 N 1.03 1.25 -0.20 1.81 2.07 -1.13 -0.36 116.25 120.72 1fck h VAL 668 Ca 0.26 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1fck h VAL 668 Cb 0.02 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1fck h VAL 668 CO -0.04 0.34 0.05 0.00 0.02 0.00 0.00 177.57 177.93 1fck h ALA 669 N 1.21 0.26 -0.36 1.67 0.00 -0.27 -1.46 119.26 120.31 1fck h ALA 669 Ca 0.22 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1fck h ALA 669 Cb 0.30 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1fck h ALA 669 CO -0.01 -0.09 0.00 0.78 0.00 0.00 0.00 179.25 179.93 1fck h GLY 670 N 0.13 0.36 0.97 0.00 0.00 -0.35 -1.33 103.07 102.85 1fck h GLY 670 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 1fck h GLY 670 CO 0.00 -0.08 0.24 -2.22 0.00 0.00 0.00 176.54 174.47 1fck h ILE 671 N 0.10 1.18 -0.60 2.60 2.04 -0.94 -2.09 117.51 119.80 1fck h ILE 671 Ca 0.18 -0.52 0.06 0.00 1.00 0.00 0.00 64.86 65.58 1fck h ILE 671 Cb 0.24 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 1fck h ILE 671 CO -0.29 0.20 0.32 0.74 0.00 0.00 0.00 178.15 179.12 1fck h THR 672 N 0.63 0.95 -0.52 -0.27 2.02 -0.78 0.12 112.91 115.05 1fck h THR 672 Ca 0.17 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1fck h THR 672 Cb 0.11 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 1fck h THR 672 CO -0.02 0.11 0.27 -1.13 0.37 0.00 0.00 175.52 175.11 1fck h ASN 673 N 0.59 0.64 0.30 4.18 -0.73 -0.99 -1.44 115.58 118.13 1fck h ASN 673 Ca 0.27 -0.05 -0.11 0.00 1.87 0.00 0.00 56.30 58.28 1fck h ASN 673 Cb 0.18 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.60 1fck h ASN 673 CO -0.18 0.54 -0.44 0.25 -0.37 0.00 0.00 177.43 177.22 1fck h LEU 674 N 0.72 0.20 -0.97 0.34 5.85 -0.28 -2.91 115.31 118.26 1fck h LEU 674 Ca 0.18 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1fck h LEU 674 Cb 0.05 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1fck h LEU 674 CO -0.03 0.62 -0.04 0.11 -0.34 0.00 0.00 178.44 178.76 1fck h LYS 675 N 0.15 0.00 -0.59 1.25 1.79 0.22 -3.03 116.57 116.36 1fck h LYS 675 Ca 0.01 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.59 1fck h LYS 675 Cb 0.85 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.46 1fck h LYS 675 CO 0.07 0.04 0.40 0.87 -1.08 0.00 0.00 179.45 179.75 1fck h LYS 676 N 0.00 0.34 -0.09 3.15 1.79 -1.26 0.27 116.57 120.77 1fck h LYS 676 Ca -0.00 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.37 1fck h LYS 676 Cb 0.70 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 1fck h LYS 676 CO 0.01 0.22 -0.30 0.00 -1.08 0.00 0.00 179.45 178.30 1fck s SER 678 N -6.90 -0.02 0.15 0.00 1.04 0.08 -5.07 113.70 103.00 1fck s SER 678 Ca -0.04 0.02 0.09 0.00 0.48 0.00 0.00 55.95 56.50 1fck s SER 678 Cb 0.14 0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 1fck s SER 678 CO 0.74 -0.01 -0.20 0.42 0.98 0.00 0.00 173.24 175.17 1fck s THR 679 N -0.64 1.90 0.72 2.02 -4.23 -1.25 -4.50 115.64 109.65 1fck s THR 679 Ca 0.09 -1.85 -0.07 0.00 -1.18 0.00 0.00 61.69 58.69 1fck s THR 679 Cb -0.02 -1.83 0.07 0.00 1.34 0.00 0.00 72.50 72.05 1fck s THR 679 CO -0.11 -0.21 1.02 -0.94 -0.54 0.00 0.00 174.62 173.84 1fck s SER 680 N -2.47 4.71 0.37 3.99 1.04 -1.26 -4.92 113.70 115.16 1fck s SER 680 Ca 0.14 0.39 0.09 0.00 0.48 0.00 0.00 55.95 57.05 1fck s SER 680 Cb -0.07 -0.99 0.73 0.00 0.10 0.00 0.00 66.02 65.79 1fck s SER 680 CO 0.07 -1.66 1.89 -0.65 0.98 0.00 0.00 173.24 173.86 1fck h PRO 681 N -0.64 0.26 -0.11 4.02 0.11 -2.01 -2.11 132.00 131.53 1fck h PRO 681 Ca -0.44 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1fck h PRO 681 Cb 1.31 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1fck h PRO 681 CO 0.58 0.42 0.05 1.25 -0.21 0.00 0.00 178.00 180.08 1fck h LEU 682 N 0.25 0.15 -0.66 2.35 6.46 -1.96 -0.06 115.31 121.83 1fck h LEU 682 Ca 0.05 -0.15 -0.06 0.00 -0.12 0.00 0.00 57.88 57.59 1fck h LEU 682 Cb 0.42 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.28 1fck h LEU 682 CO 0.03 0.26 0.17 -0.07 -0.62 0.00 0.00 178.44 178.21 1fck h LEU 683 N 0.03 0.99 -0.42 2.25 3.38 -1.90 0.74 115.31 120.37 1fck h LEU 683 Ca 0.04 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.83 1fck h LEU 683 Cb 0.16 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 1fck h LEU 683 CO -0.00 0.96 0.15 -0.33 0.09 0.00 0.00 178.44 179.30 1fck h GLU 684 N 0.97 0.30 0.07 1.13 4.39 -1.16 0.95 114.58 121.24 1fck h GLU 684 Ca 0.21 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 1fck h GLU 684 Cb 0.35 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1fck h GLU 684 CO 0.00 0.20 -0.04 0.00 -1.16 0.00 0.00 179.01 178.01 1fck h ALA 685 N 1.28 -0.10 -0.11 3.43 0.00 -0.59 -2.77 119.26 120.41 1fck h ALA 685 Ca 0.20 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1fck h ALA 685 Cb 0.19 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1fck h ALA 685 CO -0.20 -0.46 -0.06 0.00 0.00 0.00 0.00 179.25 178.53 1fck h GLU 687 N 0.15 0.73 -0.65 0.00 4.57 -0.71 -1.37 114.58 117.30 1fck h GLU 687 Ca 0.04 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1fck h GLU 687 Cb 0.21 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1fck h GLU 687 CO 0.01 0.63 0.36 0.35 -1.18 0.00 0.00 179.01 179.18 1fck h PHE 688 N 0.65 0.89 0.00 0.92 3.57 -0.99 -2.69 116.94 119.29 1fck h PHE 688 Ca 0.17 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1fck h PHE 688 Cb 0.17 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1fck h PHE 688 CO 0.00 0.64 0.00 -0.07 -2.23 0.00 0.00 178.31 176.65 1fck h LEU 689 N 0.89 0.00 0.00 0.59 3.38 -0.95 -3.22 115.31 116.00 1fck h LEU 689 Ca 0.23 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.04 1fck h LEU 689 Cb 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1fck h LEU 689 CO -0.04 0.00 -1.19 0.03 0.09 0.00 0.00 178.44 177.33 1fck h ARG 690 N 0.00 0.00 0.00 1.13 2.47 -0.94 -3.51 114.38 113.53 1fck h ARG 690 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1fck h ARG 690 Cb 0.69 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.01 1fck h ARG 690 CO 0.00 0.38 0.00 1.63 0.56 0.00 0.00 179.97 182.54