#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5req s PRO 5 N 0.00 3.88 -0.12 3.23 0.04 -1.26 -5.04 135.00 135.73 5req s PRO 5 Ca 0.00 2.37 -0.01 0.00 0.04 0.00 0.00 61.00 63.41 5req s PRO 5 Cb 0.00 -2.77 -0.02 0.00 0.04 0.00 0.00 34.50 31.75 5req s PRO 5 CO 0.00 -0.65 -0.09 1.03 0.04 0.00 0.00 177.00 177.33 5req s ARG 6 N -2.29 3.32 -0.14 4.56 1.81 -1.26 -5.05 118.95 119.90 5req s ARG 6 Ca 0.58 -0.61 0.16 0.00 -1.72 0.00 0.00 55.73 54.14 5req s ARG 6 Cb -0.43 -2.70 0.69 0.00 -0.45 0.00 0.00 34.95 32.06 5req s ARG 6 CO 0.56 0.33 1.59 1.19 -0.68 0.00 0.00 175.30 178.28 5req n PHE 7 N 3.23 1.54 0.62 -0.53 3.72 -1.26 -4.51 117.46 120.26 5req n PHE 7 Ca -0.18 -0.58 0.13 0.00 -0.05 0.00 0.00 57.45 56.77 5req n PHE 7 Cb 0.53 -0.31 0.43 0.00 -0.94 0.00 0.00 39.48 39.19 5req n PHE 7 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 5req n ASP 8 N 0.90 0.72 -0.06 4.37 5.75 -1.26 -2.98 116.55 123.99 5req n ASP 8 Ca 0.24 0.58 0.03 0.00 -0.01 0.00 0.00 54.79 55.64 5req n ASP 8 Cb 0.92 -0.77 -0.02 0.00 -1.03 0.00 0.00 41.12 40.21 5req n ASP 8 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 5req n SER 9 N -2.19 0.58 -4.69 -1.12 3.41 -1.26 -5.01 113.62 103.33 5req n SER 9 Ca 0.05 -0.79 -0.42 0.00 -0.26 0.00 0.00 58.87 57.45 5req n SER 9 Cb 0.39 0.78 -0.03 0.00 -0.26 0.00 0.00 64.21 65.10 5req n SER 9 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 5req s VAL 10 N -1.39 4.14 0.56 -3.33 1.01 -1.16 -5.03 120.40 115.20 5req s VAL 10 Ca 0.04 1.49 -0.16 0.00 0.00 0.00 0.00 61.98 63.35 5req s VAL 10 Cb 0.05 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 5req s VAL 10 CO 0.23 0.02 1.02 -1.81 0.00 0.00 0.00 175.10 174.56 5req s ASP 11 N 1.45 6.18 0.03 3.32 1.01 -1.26 -4.99 116.67 122.41 5req s ASP 11 Ca 0.58 1.67 -0.09 0.00 0.71 0.00 0.00 52.55 55.42 5req s ASP 11 Cb -0.27 -2.52 -0.31 0.00 1.01 0.00 0.00 42.92 40.84 5req s ASP 11 CO 0.24 -0.90 0.98 0.25 0.21 0.00 0.00 175.17 175.96 5req h LEU 12 N 0.56 0.59 0.00 1.23 5.85 -1.97 -3.50 115.31 118.06 5req h LEU 12 Ca -0.46 -0.68 0.00 0.00 0.84 0.00 0.00 57.88 57.57 5req h LEU 12 Cb 1.20 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.04 5req h LEU 12 CO 0.59 1.55 0.00 0.61 -0.34 0.00 0.00 178.44 180.85 5req n GLY 13 N 1.66 -2.09 0.91 3.75 0.00 -1.26 -4.67 105.19 103.48 5req n GLY 13 Ca -0.15 -2.11 0.09 0.00 0.00 0.00 0.00 46.02 43.85 5req n GLY 13 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 5req n ASN 14 N 0.00 3.13 -3.40 1.61 6.94 -1.26 -5.01 115.26 117.27 5req n ASN 14 Ca 0.00 -1.91 -0.17 0.00 -0.02 0.00 0.00 54.58 52.48 5req n ASN 14 Cb 0.00 -0.25 0.01 0.00 -2.36 0.00 0.00 39.78 37.18 5req n ASN 14 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 5req n ALA 15 N 1.06 -2.66 -1.76 -2.53 0.00 -1.26 -4.91 120.51 108.45 5req n ALA 15 Ca 0.16 0.08 -0.40 0.00 0.00 0.00 0.00 53.44 53.28 5req n ALA 15 Cb 0.50 -1.56 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 5req n ALA 15 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 5req s PRO 16 N -3.67 4.63 -0.28 0.00 0.04 -1.26 -5.02 135.00 129.44 5req s PRO 16 Ca 0.09 1.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.69 5req s PRO 16 Cb -0.01 -3.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.36 5req s PRO 16 CO 0.83 0.24 0.20 0.08 0.04 0.00 0.00 177.00 178.40 5req s VAL 17 N -1.25 5.30 1.06 -0.36 1.01 -1.26 -5.07 120.40 119.83 5req s VAL 17 Ca 0.46 0.15 -0.14 0.00 0.00 0.00 0.00 61.98 62.44 5req s VAL 17 Cb -0.29 -3.55 0.14 0.00 0.00 0.00 0.00 36.38 32.68 5req s VAL 17 CO 0.37 0.23 0.57 -2.65 0.00 0.00 0.00 175.10 173.61 5req n PRO 18 N 5.07 -1.29 0.17 2.72 -0.02 -1.26 -4.94 135.00 135.46 5req n PRO 18 Ca -0.14 -0.34 0.09 0.00 -2.02 0.00 0.00 63.50 61.09 5req n PRO 18 Cb 0.52 -1.98 0.09 0.00 -0.02 0.00 0.00 33.50 32.11 5req n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 5req h ALA 19 N -2.07 0.82 -0.16 3.55 0.00 -2.06 -3.16 119.26 116.18 5req h ALA 19 Ca -0.51 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.22 5req h ALA 19 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 5req h ALA 19 CO 0.40 0.23 0.00 -0.40 0.00 0.00 0.00 179.25 179.49 5req n ASP 20 N -3.07 2.03 -0.02 0.00 5.75 -1.26 -4.55 116.55 115.43 5req n ASP 20 Ca 0.02 -1.74 -0.09 0.00 -0.01 0.00 0.00 54.79 52.98 5req n ASP 20 Cb 0.61 -0.10 -0.06 0.00 -1.03 0.00 0.00 41.12 40.54 5req n ASP 20 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 5req h ALA 21 N 4.24 -0.68 -0.73 2.12 0.00 -1.92 -0.90 119.26 121.39 5req h ALA 21 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.95 5req h ALA 21 Cb 0.61 0.85 -0.09 0.00 0.00 0.00 0.00 17.79 19.16 5req h ALA 21 CO 0.00 -0.80 -0.43 0.00 0.00 0.00 0.00 179.25 178.02 5req n ALA 22 N -2.84 -0.47 -0.01 0.00 0.00 -1.26 -0.18 120.51 115.75 5req n ALA 22 Ca -0.03 0.62 0.02 0.00 0.00 0.00 0.00 53.44 54.05 5req n ALA 22 Cb 0.22 0.02 0.36 0.00 0.00 0.00 0.00 19.45 20.05 5req n ALA 22 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 5req h ARG 23 N 0.00 0.56 -0.23 0.00 0.11 -1.85 -1.65 114.38 111.32 5req h ARG 23 Ca 0.12 -0.06 -0.11 0.00 0.10 0.00 0.00 59.98 60.03 5req h ARG 23 Cb 0.30 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.26 5req h ARG 23 CO -0.69 0.45 -0.31 0.00 0.10 0.00 0.00 179.97 179.52 5req h ARG 24 N 0.56 0.46 0.36 0.08 3.08 0.14 -2.62 114.38 116.44 5req h ARG 24 Ca 0.14 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 5req h ARG 24 Cb 0.08 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.12 5req h ARG 24 CO -0.02 0.72 -0.17 0.35 -1.07 0.00 0.00 179.97 179.79 5req h PHE 25 N 0.40 -0.44 -0.73 3.04 3.57 0.19 -2.42 116.94 120.55 5req h PHE 25 Ca 0.05 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.67 5req h PHE 25 Cb 0.75 0.15 -0.09 0.00 2.79 0.00 0.00 35.95 39.54 5req h PHE 25 CO 0.02 -0.16 0.28 0.93 -2.23 0.00 0.00 178.31 177.15 5req h GLU 26 N -0.69 0.41 -0.64 1.11 4.39 -1.28 0.18 114.58 118.07 5req h GLU 26 Ca -0.05 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 5req h GLU 26 Cb 0.48 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 5req h GLU 26 CO 0.08 0.27 0.13 1.49 -1.16 0.00 0.00 179.01 179.83 5req h GLU 27 N 0.43 1.02 -0.46 2.33 4.57 -1.52 -0.64 114.58 120.31 5req h GLU 27 Ca 0.40 -0.24 0.03 0.00 -1.18 0.00 0.00 59.36 58.37 5req h GLU 27 Cb 0.59 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 5req h GLU 27 CO -0.39 0.92 0.24 -0.07 -1.18 0.00 0.00 179.01 178.52 5req h LEU 28 N 0.97 0.35 0.14 1.64 3.38 -0.51 0.21 115.31 121.48 5req h LEU 28 Ca 0.20 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.20 5req h LEU 28 Cb 0.38 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 5req h LEU 28 CO 0.01 0.25 -0.19 0.00 0.09 0.00 0.00 178.44 178.59 5req h ALA 29 N 1.23 -0.35 -0.80 1.53 0.00 -0.59 -0.78 119.26 119.51 5req h ALA 29 Ca 0.19 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.13 5req h ALA 29 Cb 0.09 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 5req h ALA 29 CO -0.13 -0.73 0.52 0.00 0.00 0.00 0.00 179.25 178.92 5req h ALA 30 N 0.40 1.62 0.00 0.00 0.00 -0.91 -1.97 119.26 118.41 5req h ALA 30 Ca 0.02 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 5req h ALA 30 Cb 0.39 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 5req h ALA 30 CO -0.08 0.25 -0.53 -0.22 0.00 0.00 0.00 179.25 178.67 5req h LYS 31 N 0.87 0.00 0.00 0.00 3.64 -0.40 -3.24 116.57 117.44 5req h LYS 31 Ca 0.34 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.58 5req h LYS 31 Cb 0.23 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 5req h LYS 31 CO -0.12 0.53 -0.70 0.00 -2.27 0.00 0.00 179.45 176.89 5req h ALA 32 N 1.47 0.58 0.00 5.00 0.00 -0.40 -3.48 119.26 122.44 5req h ALA 32 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.27 5req h ALA 32 Cb 1.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.74 5req h ALA 32 CO 0.07 0.87 0.00 0.41 0.00 0.00 0.00 179.25 180.60 5req n GLY 33 N 1.16 1.44 3.70 0.00 0.00 -0.97 -5.06 105.19 105.45 5req n GLY 33 Ca 0.01 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.46 5req n GLY 33 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 5req n THR 34 N -0.45 0.26 -0.37 2.61 -1.04 -1.08 -4.95 114.28 109.27 5req n THR 34 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 5req n THR 34 Cb 0.00 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.36 5req n THR 34 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 5req n GLY 35 N 3.99 1.89 3.82 3.41 0.00 -1.26 -4.84 105.19 112.20 5req n GLY 35 Ca 0.26 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 5req n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5req s GLU 36 N 4.55 2.52 0.36 1.61 0.41 -1.26 -4.99 118.70 121.91 5req s GLU 36 Ca 0.00 0.73 -0.28 0.00 -0.41 0.00 0.00 54.97 55.00 5req s GLU 36 Cb 0.00 -1.96 -0.11 0.00 -1.78 0.00 0.00 34.13 30.28 5req s GLU 36 CO 0.00 -1.33 1.50 0.00 -0.49 0.00 0.00 175.26 174.94 5req n ALA 37 N -3.25 2.37 -1.73 5.21 0.00 -1.26 -4.91 120.51 116.94 5req n ALA 37 Ca 0.07 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.44 5req n ALA 37 Cb 0.55 -2.42 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 5req n ALA 37 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 5req s TRP 38 N -0.88 2.27 -0.27 0.00 -0.00 -0.49 -4.64 118.94 114.95 5req s TRP 38 Ca 0.56 0.05 -0.19 0.00 -0.00 0.00 0.00 56.10 56.52 5req s TRP 38 Cb -0.48 -4.16 -0.02 0.00 -0.00 0.00 0.00 33.47 28.81 5req s TRP 38 CO 0.61 -4.71 0.56 -2.00 -0.00 0.00 0.00 176.95 171.40 5req s GLU 39 N 2.51 4.04 0.91 5.86 2.56 -1.26 0.07 118.70 133.39 5req s GLU 39 Ca 0.80 0.36 -0.13 0.00 0.00 0.00 0.00 54.97 55.99 5req s GLU 39 Cb -0.46 -3.67 0.14 0.00 2.00 0.00 0.00 34.13 32.14 5req s GLU 39 CO 0.35 -0.41 1.18 0.95 -0.56 0.00 0.00 175.26 176.78 5req s THR 40 N 2.41 1.97 0.46 -1.70 -4.23 -1.03 -4.94 115.64 108.58 5req s THR 40 Ca 0.23 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.90 5req s THR 40 Cb -0.15 -2.85 0.21 0.00 1.34 0.00 0.00 72.50 71.05 5req s THR 40 CO 0.09 0.00 2.03 0.00 -0.54 0.00 0.00 174.62 176.21 5req h ALA 41 N -1.48 1.70 0.00 3.99 0.00 -1.97 0.03 119.26 121.54 5req h ALA 41 Ca -0.48 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.31 5req h ALA 41 Cb 1.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 5req h ALA 41 CO 0.57 0.18 0.00 0.93 0.00 0.00 0.00 179.25 180.92 5req h GLU 42 N 0.00 0.00 -3.44 0.00 3.07 -1.96 -3.48 114.58 108.77 5req h GLU 42 Ca -0.00 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.69 5req h GLU 42 Cb 0.26 0.00 0.07 0.00 -0.84 0.00 0.00 28.75 28.24 5req h GLU 42 CO 0.02 0.00 -0.33 1.04 -1.40 0.00 0.00 179.01 178.34 5req n GLN 43 N -2.46 -3.36 -4.00 2.33 6.02 -0.00 -4.98 117.38 110.92 5req n GLN 43 Ca 0.02 0.38 -0.33 0.00 -0.01 0.00 0.00 57.00 57.07 5req n GLN 43 Cb 0.28 -4.05 -0.14 0.00 1.02 0.00 0.00 30.24 27.35 5req n GLN 43 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 5req s ILE 44 N -3.16 2.50 0.05 5.09 1.01 -1.26 -4.95 121.20 120.48 5req s ILE 44 Ca 0.14 -1.59 -0.31 0.00 0.00 0.00 0.00 60.65 58.90 5req s ILE 44 Cb -0.06 -2.48 -0.07 0.00 0.01 0.00 0.00 42.46 39.86 5req s ILE 44 CO 0.33 -0.10 1.53 -2.16 0.00 0.00 0.00 174.94 174.55 5req s PRO 45 N 1.15 4.24 -0.34 2.79 0.04 -1.26 -2.46 135.00 139.15 5req s PRO 45 Ca -0.06 2.16 -0.00 0.00 0.04 0.00 0.00 61.00 63.14 5req s PRO 45 Cb -0.20 -3.55 0.08 0.00 0.04 0.00 0.00 34.50 30.87 5req s PRO 45 CO -0.04 -0.65 0.07 0.08 0.04 0.00 0.00 177.00 176.51 5req s VAL 46 N 2.41 2.82 0.94 -0.36 1.01 0.11 -4.93 120.40 122.40 5req s VAL 46 Ca 0.69 -1.89 -0.16 0.00 0.00 0.00 0.00 61.98 60.62 5req s VAL 46 Cb -0.36 -2.85 0.23 0.00 0.00 0.00 0.00 36.38 33.40 5req s VAL 46 CO 0.30 -0.43 0.90 0.61 0.00 0.00 0.00 175.10 176.48 5req n GLY 47 N 4.50 -2.47 0.35 4.51 0.00 -1.26 -1.39 105.19 109.41 5req n GLY 47 Ca -0.05 -1.52 0.13 0.00 0.00 0.00 0.00 46.02 44.58 5req n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 5req n THR 48 N -4.21 0.00 -3.64 2.61 -2.24 -1.26 -4.87 114.28 100.66 5req n THR 48 Ca 0.12 -0.18 -0.07 0.00 -2.27 0.00 0.00 64.05 61.66 5req n THR 48 Cb 0.47 0.43 -0.07 0.00 -2.10 0.00 0.00 70.33 69.06 5req n THR 48 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 5req s LEU 49 N -2.27 -0.67 0.05 3.22 2.96 -1.26 -5.16 118.68 115.55 5req s LEU 49 Ca 0.31 1.13 0.06 0.00 -0.22 0.00 0.00 54.13 55.41 5req s LEU 49 Cb 0.20 2.07 -0.03 0.00 0.50 0.00 0.00 46.19 48.92 5req s LEU 49 CO 0.43 -0.18 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.78 5req s PHE 50 N 1.11 2.65 0.13 5.38 0.40 -1.26 -5.06 117.98 121.33 5req s PHE 50 Ca -0.06 -0.20 0.03 0.00 -0.60 0.00 0.00 56.93 56.10 5req s PHE 50 Cb -0.04 -1.48 -0.01 0.00 0.51 0.00 0.00 43.02 41.99 5req s PHE 50 CO -0.13 0.31 0.10 0.09 0.70 0.00 0.00 175.22 176.29 5req n ASN 51 N 1.39 0.01 0.00 1.36 4.13 -1.26 -4.80 115.26 116.09 5req n ASN 51 Ca -0.16 -1.83 0.06 0.00 1.68 0.00 0.00 54.58 54.33 5req n ASN 51 Cb 0.52 0.58 0.35 0.00 -1.54 0.00 0.00 39.78 39.70 5req n ASN 51 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 5req n GLU 52 N -0.26 0.47 0.00 3.52 0.00 -1.26 -2.94 120.64 120.17 5req n GLU 52 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.31 5req n GLU 52 Cb 0.23 -1.39 0.54 0.00 0.00 0.00 0.00 31.44 30.81 5req n GLU 52 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 5req n ASP 53 N -0.89 0.28 0.10 -1.84 5.75 -1.26 -3.30 116.55 115.39 5req n ASP 53 Ca 0.09 -0.08 -0.03 0.00 -0.01 0.00 0.00 54.79 54.76 5req n ASP 53 Cb 0.04 -0.16 0.02 0.00 -1.03 0.00 0.00 41.12 39.99 5req n ASP 53 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 5req h VAL 54 N 0.19 1.46 0.00 2.12 -1.51 -1.92 -3.36 116.25 113.22 5req h VAL 54 Ca 0.00 -2.73 -0.01 0.00 -1.23 0.00 0.00 66.70 62.74 5req h VAL 54 Cb 0.44 2.51 -0.00 0.00 -2.13 0.00 0.00 31.29 32.11 5req h VAL 54 CO 0.00 0.75 -0.03 1.88 -1.23 0.00 0.00 177.57 178.95 5req h TYR 55 N 0.00 0.00 -0.52 5.19 0.05 -1.82 -3.38 116.97 116.50 5req h TYR 55 Ca -0.01 0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.86 5req h TYR 55 Cb 1.45 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 39.08 5req h TYR 55 CO 0.00 0.03 -0.38 -0.22 -1.05 0.00 0.00 178.16 176.54 5req h LYS 56 N 0.00 -0.22 -0.16 4.88 1.63 -1.81 -2.68 116.57 118.22 5req h LYS 56 Ca -0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 5req h LYS 56 Cb 0.26 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 5req h LYS 56 CO 0.00 -0.15 0.00 -0.25 -3.45 0.00 0.00 179.45 175.61 5req n ASP 57 N -5.42 1.98 -4.69 4.20 8.00 -1.26 -4.85 116.55 114.51 5req n ASP 57 Ca 0.02 -1.73 -0.41 0.00 0.71 0.00 0.00 54.79 53.39 5req n ASP 57 Cb 0.35 -0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.31 5req n ASP 57 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 5req s MET 58 N -1.81 4.36 0.00 -1.24 -1.94 -1.01 -4.94 119.30 112.71 5req s MET 58 Ca 0.34 0.96 0.22 0.00 -1.71 0.00 0.00 55.69 55.50 5req s MET 58 Cb 0.19 -3.52 0.34 0.00 2.01 0.00 0.00 34.83 33.85 5req s MET 58 CO 0.29 -0.16 1.33 -0.40 -0.01 0.00 0.00 175.02 176.06 5req n ASP 59 N 4.62 3.26 -0.27 3.03 5.75 -1.26 -4.56 116.55 127.11 5req n ASP 59 Ca 0.02 -1.97 0.08 0.00 -0.01 0.00 0.00 54.79 52.92 5req n ASP 59 Cb 0.50 -0.17 -0.03 0.00 -1.03 0.00 0.00 41.12 40.39 5req n ASP 59 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 5req n TRP 60 N 1.38 0.00 0.09 2.11 2.14 -1.26 -4.78 117.44 117.13 5req n TRP 60 Ca 0.17 0.00 0.06 0.00 2.07 0.00 0.00 57.50 59.80 5req n TRP 60 Cb 0.58 0.00 0.31 0.00 -0.81 0.00 0.00 31.31 31.40 5req n TRP 60 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 5req n LEU 61 N -0.47 0.30 -2.44 5.67 4.77 -1.26 -2.26 117.00 121.30 5req n LEU 61 Ca 0.06 0.62 -0.16 0.00 -0.03 0.00 0.00 56.01 56.50 5req n LEU 61 Cb 0.32 -0.65 0.03 0.00 -2.33 0.00 0.00 43.42 40.79 5req n LEU 61 CO 0.24 -0.72 0.08 -0.67 -1.33 0.00 0.00 177.39 175.00 5req n ASP 62 N -1.90 3.42 -4.90 -1.43 2.03 -1.26 -4.95 116.55 107.57 5req n ASP 62 Ca -0.01 -3.11 -0.20 0.00 0.52 0.00 0.00 54.79 51.99 5req n ASP 62 Cb 0.06 -0.43 -0.03 0.00 -0.72 0.00 0.00 41.12 40.00 5req n ASP 62 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 5req s THR 63 N -4.35 3.58 -0.07 5.18 -4.23 -0.96 -5.13 115.64 109.66 5req s THR 63 Ca 0.40 -1.26 0.03 0.00 -1.18 0.00 0.00 61.69 59.68 5req s THR 63 Cb 0.39 -3.22 -0.02 0.00 1.34 0.00 0.00 72.50 70.99 5req s THR 63 CO -0.03 -0.15 -0.16 -0.31 -0.54 0.00 0.00 174.62 173.43 5req s TYR 64 N -2.29 2.66 0.56 3.99 2.02 -1.26 -5.00 117.35 118.04 5req s TYR 64 Ca 0.43 -0.39 -0.20 0.00 -0.37 0.00 0.00 57.07 56.54 5req s TYR 64 Cb -0.07 -1.67 -0.06 0.00 -0.40 0.00 0.00 41.96 39.76 5req s TYR 64 CO 0.28 0.01 0.99 0.00 -1.57 0.00 0.00 175.55 175.26 5req n ALA 65 N 2.73 0.26 -1.03 3.71 0.00 -1.26 -3.41 120.51 121.50 5req n ALA 65 Ca -0.17 0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 5req n ALA 65 Cb 0.52 -2.11 -0.00 0.00 0.00 0.00 0.00 19.45 17.85 5req n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 5req n GLY 66 N 1.24 0.48 2.89 0.00 0.00 -0.94 -4.15 105.19 104.71 5req n GLY 66 Ca 0.12 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 5req n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 5req s ILE 67 N -1.92 0.06 0.30 -0.61 1.01 -1.22 -4.70 121.20 114.12 5req s ILE 67 Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.31 5req s ILE 67 Cb 0.00 -0.07 -0.13 0.00 0.01 0.00 0.00 42.46 42.27 5req s ILE 67 CO 0.00 0.00 1.20 -2.65 0.00 0.00 0.00 174.94 173.49 5req n PRO 68 N 3.02 1.79 -0.64 2.79 -0.02 -1.26 -1.50 135.00 139.18 5req n PRO 68 Ca -0.12 0.63 -0.10 0.00 -2.02 0.00 0.00 63.50 61.89 5req n PRO 68 Cb 0.60 -2.14 0.12 0.00 -0.02 0.00 0.00 33.50 32.06 5req n PRO 68 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 5req n PRO 69 N 0.86 1.96 -4.25 0.52 -0.04 -1.26 -4.96 135.00 127.83 5req n PRO 69 Ca 0.08 -1.66 -0.32 0.00 -0.04 0.00 0.00 63.50 61.56 5req n PRO 69 Cb 0.33 -1.70 -0.07 0.00 -0.04 0.00 0.00 33.50 32.03 5req n PRO 69 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 5req n PHE 70 N -0.26 -1.39 0.10 0.54 3.72 -0.56 -3.27 117.46 116.34 5req n PHE 70 Ca 0.30 0.67 -0.03 0.00 -0.05 0.00 0.00 57.45 58.34 5req n PHE 70 Cb 1.08 -2.93 0.19 0.00 -0.94 0.00 0.00 39.48 36.88 5req n PHE 70 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 5req h VAL 71 N -1.65 1.35 -0.00 -4.37 3.04 -1.85 -2.64 116.25 110.12 5req h VAL 71 Ca -0.64 -1.72 0.00 0.00 -1.01 0.00 0.00 66.70 63.33 5req h VAL 71 Cb 1.39 1.84 0.00 0.00 -2.01 0.00 0.00 31.29 32.51 5req h VAL 71 CO 0.72 0.51 -0.23 1.41 -1.01 0.00 0.00 177.57 178.97 5req n HIS 72 N -3.96 0.00 0.00 3.17 8.25 -1.26 -4.65 115.22 116.77 5req n HIS 72 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 5req n HIS 72 Cb 0.53 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.42 5req n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 5req n GLY 73 N 1.38 4.00 0.20 -1.41 0.00 -1.00 -4.37 105.19 103.99 5req n GLY 73 Ca 0.11 -1.57 -0.05 0.00 0.00 0.00 0.00 46.02 44.50 5req n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 5req h PRO 74 N 0.00 0.37 -6.29 1.61 0.13 -1.84 -2.50 132.00 123.48 5req h PRO 74 Ca 0.00 -0.20 -0.65 0.00 -0.87 0.00 0.00 66.00 64.28 5req h PRO 74 Cb 0.00 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.02 5req h PRO 74 CO 0.00 0.76 -0.65 0.71 -0.23 0.00 0.00 178.00 178.59 5req s TYR 75 N -4.09 3.04 0.25 1.56 2.02 -1.26 -4.19 117.35 114.67 5req s TYR 75 Ca -0.06 0.01 -0.05 0.00 -0.37 0.00 0.00 57.07 56.60 5req s TYR 75 Cb 0.13 -1.57 0.28 0.00 -0.40 0.00 0.00 41.96 40.39 5req s TYR 75 CO 0.80 0.49 1.85 0.00 -1.57 0.00 0.00 175.55 177.11 5req h ALA 76 N 3.55 1.19 0.00 3.71 0.00 -1.84 -3.16 119.26 122.70 5req h ALA 76 Ca -0.48 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.28 5req h ALA 76 Cb 1.17 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.64 5req h ALA 76 CO 0.61 0.62 -1.39 0.25 0.00 0.00 0.00 179.25 179.34 5req n THR 77 N -4.32 0.08 -1.10 0.00 -2.24 -1.26 -4.69 114.28 100.75 5req n THR 77 Ca 0.08 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 5req n THR 77 Cb 0.13 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 5req n THR 77 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 5req n MET 78 N -1.98 0.00 0.17 -0.78 0.00 -1.24 -2.93 117.12 110.36 5req n MET 78 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 57.70 57.83 5req n MET 78 Cb 0.46 0.00 0.42 0.00 0.00 0.00 0.00 33.22 34.10 5req n MET 78 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 175.97 177.85 5req h TYR 79 N 0.00 0.00 -0.69 2.03 0.05 -1.76 -2.23 116.97 114.37 5req h TYR 79 Ca 0.00 0.00 0.15 0.00 0.05 0.00 0.00 58.73 58.93 5req h TYR 79 Cb 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 37.63 5req h TYR 79 CO 0.00 0.00 0.12 0.00 -1.05 0.00 0.00 178.16 177.23 5req h ALA 80 N 2.26 0.84 0.07 3.88 0.00 -1.31 -3.11 119.26 121.88 5req h ALA 80 Ca 0.00 0.17 -0.27 0.00 0.00 0.00 0.00 54.91 54.81 5req h ALA 80 Cb 0.68 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 5req h ALA 80 CO 0.00 -0.35 -1.47 0.35 0.00 0.00 0.00 179.25 177.78 5req h PHE 81 N 0.22 0.27 -2.35 0.00 3.57 -1.57 -3.49 116.94 113.59 5req h PHE 81 Ca 0.38 -0.20 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 5req h PHE 81 Cb 0.64 -0.01 -0.24 0.00 2.79 0.00 0.00 35.95 39.13 5req h PHE 81 CO -0.29 1.58 -0.18 0.50 -2.23 0.00 0.00 178.31 177.68 5req s ARG 82 N -2.45 0.51 0.94 1.11 3.52 -0.87 -5.10 118.95 116.61 5req s ARG 82 Ca -0.24 1.03 -0.12 0.00 -0.13 0.00 0.00 55.73 56.27 5req s ARG 82 Cb 0.05 0.16 0.16 0.00 -1.56 0.00 0.00 34.95 33.76 5req s ARG 82 CO 0.70 -0.17 1.09 -1.25 -0.81 0.00 0.00 175.30 174.86 5req s PRO 83 N 1.78 0.88 0.83 5.12 0.04 -1.25 -3.69 135.00 138.70 5req s PRO 83 Ca -0.08 0.65 -0.12 0.00 0.04 0.00 0.00 61.00 61.48 5req s PRO 83 Cb -0.08 -1.78 0.09 0.00 0.04 0.00 0.00 34.50 32.78 5req s PRO 83 CO -0.16 -2.46 1.19 1.67 0.04 0.00 0.00 177.00 177.28 5req s TRP 84 N -2.97 1.80 -0.19 0.56 -2.14 -1.26 -4.95 118.94 109.80 5req s TRP 84 Ca 0.64 1.70 -0.29 0.00 2.66 0.00 0.00 56.10 60.81 5req s TRP 84 Cb -0.18 -3.43 0.00 0.00 -3.10 0.00 0.00 33.47 26.76 5req s TRP 84 CO 0.57 -2.78 1.08 0.99 -2.66 0.00 0.00 176.95 174.15 5req s THR 85 N -2.30 4.61 -0.29 0.66 2.01 -0.65 -4.93 115.64 114.75 5req s THR 85 Ca 0.71 1.93 -0.29 0.00 0.31 0.00 0.00 61.69 64.36 5req s THR 85 Cb -0.27 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 67.98 5req s THR 85 CO 0.52 -0.14 1.77 -0.63 -0.69 0.00 0.00 174.62 175.45 5req s ILE 86 N 3.02 3.51 -0.43 1.82 1.01 -1.26 -1.60 121.20 127.26 5req s ILE 86 Ca 0.47 0.53 0.02 0.00 0.00 0.00 0.00 60.65 61.68 5req s ILE 86 Cb -0.17 -3.63 0.15 0.00 0.01 0.00 0.00 42.46 38.81 5req s ILE 86 CO 0.10 -0.36 0.27 -0.60 0.00 0.00 0.00 174.94 174.35 5req s ARG 87 N 5.40 1.12 -0.21 2.79 3.52 0.03 -1.44 118.95 130.15 5req s ARG 87 Ca 0.79 -1.96 -0.26 0.00 -0.13 0.00 0.00 55.73 54.17 5req s ARG 87 Cb -0.24 -1.99 -0.01 0.00 -1.56 0.00 0.00 34.95 31.16 5req s ARG 87 CO 0.33 -1.23 0.87 -0.65 -0.81 0.00 0.00 175.30 173.82 5req s GLN 88 N 0.34 4.25 0.07 5.12 -1.52 -1.26 -3.88 119.66 122.78 5req s GLN 88 Ca 0.21 1.06 -0.31 0.00 -1.95 0.00 0.00 55.36 54.37 5req s GLN 88 Cb -0.17 -3.61 -0.07 0.00 -0.22 0.00 0.00 33.01 28.93 5req s GLN 88 CO -0.05 -0.46 1.40 0.12 -0.25 0.00 0.00 175.29 176.05 5req s PHE 89 N 2.62 3.07 0.10 0.91 5.36 -1.26 -3.97 117.98 124.81 5req s PHE 89 Ca 0.38 0.88 -0.25 0.00 -0.96 0.00 0.00 56.93 56.98 5req s PHE 89 Cb -0.16 -3.68 0.08 0.00 -0.34 0.00 0.00 43.02 38.92 5req s PHE 89 CO 0.09 -2.44 0.71 0.00 -1.46 0.00 0.00 175.22 172.12 5req s ALA 90 N 1.64 -1.68 0.00 11.12 0.00 -0.13 -4.96 121.76 127.75 5req s ALA 90 Ca 0.65 0.67 0.00 0.00 0.00 0.00 0.00 51.96 53.27 5req s ALA 90 Cb -0.35 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.48 5req s ALA 90 CO 0.29 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.71 5req n GLY 91 N -0.33 4.22 3.57 0.00 0.00 -1.26 -0.82 105.19 110.57 5req n GLY 91 Ca -0.14 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 5req n GLY 91 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 5req s PHE 92 N -0.61 -0.55 0.00 1.61 -0.71 -1.26 -4.09 117.98 112.37 5req s PHE 92 Ca 0.00 1.05 0.00 0.00 -1.04 0.00 0.00 56.93 56.94 5req s PHE 92 Cb 0.00 0.40 0.00 0.00 -1.21 0.00 0.00 43.02 42.21 5req s PHE 92 CO 0.00 -0.45 0.00 0.45 -1.34 0.00 0.00 175.22 173.88 5req n SER 93 N 1.19 0.00 -4.95 1.98 2.88 -0.66 -4.21 113.62 109.85 5req n SER 93 Ca -0.15 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.20 5req n SER 93 Cb 0.57 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.02 5req n SER 93 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 5req s THR 94 N 0.00 3.84 0.13 2.46 -4.23 -1.26 -1.89 115.64 114.69 5req s THR 94 Ca 0.00 -1.10 -0.19 0.00 -1.18 0.00 0.00 61.69 59.21 5req s THR 94 Cb 0.00 -3.32 -0.06 0.00 1.34 0.00 0.00 72.50 70.46 5req s THR 94 CO 0.00 -0.15 1.76 0.00 -0.54 0.00 0.00 174.62 175.69 5req h ALA 95 N 0.98 0.25 -0.31 3.99 0.00 -1.82 -1.26 119.26 121.09 5req h ALA 95 Ca -0.45 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.52 5req h ALA 95 Cb 1.26 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 5req h ALA 95 CO 0.54 -0.30 -0.41 -0.22 0.00 0.00 0.00 179.25 178.86 5req h LYS 96 N 0.23 -0.36 -0.45 0.00 3.11 -1.91 0.38 116.57 117.57 5req h LYS 96 Ca 0.08 0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.90 5req h LYS 96 Cb 0.01 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.31 5req h LYS 96 CO -0.05 -0.24 0.08 0.93 -2.81 0.00 0.00 179.45 177.36 5req h GLU 97 N -0.37 0.73 -0.09 1.90 5.08 -1.86 -0.42 114.58 119.55 5req h GLU 97 Ca 0.12 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 5req h GLU 97 Cb 0.59 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 5req h GLU 97 CO -0.51 0.75 0.06 0.77 -1.00 0.00 0.00 179.01 179.08 5req h SER 98 N 0.60 0.09 -0.49 1.42 0.02 -1.04 0.18 113.55 114.33 5req h SER 98 Ca 0.14 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 5req h SER 98 Cb 0.36 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 5req h SER 98 CO 0.01 0.07 0.33 -1.13 -1.14 0.00 0.00 176.83 174.96 5req h ASN 99 N 0.11 0.56 -0.73 3.07 -0.73 -0.19 -0.30 115.58 117.37 5req h ASN 99 Ca 0.03 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.18 5req h ASN 99 Cb -0.01 -0.14 -0.03 0.00 0.27 0.00 0.00 38.32 38.40 5req h ASN 99 CO -0.01 0.41 0.42 0.00 -0.37 0.00 0.00 177.43 177.88 5req h ALA 100 N 1.18 0.93 -0.48 1.57 0.00 -0.80 -1.41 119.26 120.25 5req h ALA 100 Ca 0.18 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.01 5req h ALA 100 Cb -0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 5req h ALA 100 CO -0.04 0.42 0.30 0.35 0.00 0.00 0.00 179.25 180.28 5req h PHE 101 N 1.00 0.56 -0.56 0.00 3.57 -0.51 -2.54 116.94 118.46 5req h PHE 101 Ca 0.26 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.78 5req h PHE 101 Cb 0.00 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 5req h PHE 101 CO -0.01 0.33 0.37 1.88 -2.23 0.00 0.00 178.31 178.65 5req h TYR 102 N 0.60 0.71 -0.64 0.41 0.05 -0.84 -1.48 116.97 115.78 5req h TYR 102 Ca 0.19 0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.90 5req h TYR 102 Cb -0.01 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.46 5req h TYR 102 CO -0.06 0.46 0.08 0.00 -1.05 0.00 0.00 178.16 177.59 5req h ARG 103 N 0.76 1.08 -0.44 4.88 3.08 -1.12 0.39 114.38 123.00 5req h ARG 103 Ca 0.20 -0.30 -0.11 0.00 0.07 0.00 0.00 59.98 59.85 5req h ARG 103 Cb -0.08 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 5req h ARG 103 CO -0.04 1.00 -0.18 0.00 -1.07 0.00 0.00 179.97 179.68 5req h ARG 104 N 1.00 0.85 -0.44 0.04 3.08 -1.39 -1.41 114.38 116.11 5req h ARG 104 Ca 0.19 -0.33 -0.06 0.00 0.07 0.00 0.00 59.98 59.86 5req h ARG 104 Cb 0.46 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 5req h ARG 104 CO 0.02 0.96 0.06 -0.91 -1.07 0.00 0.00 179.97 179.03 5req h ASN 105 N 0.75 0.72 -0.60 7.04 2.35 -0.96 -2.20 115.58 122.68 5req h ASN 105 Ca 0.11 -0.27 -0.06 0.00 -0.55 0.00 0.00 56.30 55.53 5req h ASN 105 Cb 0.70 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 5req h ASN 105 CO 0.05 0.81 0.14 -0.07 -1.65 0.00 0.00 177.43 176.71 5req h LEU 106 N 0.60 0.91 -1.81 1.61 3.38 -0.81 -2.19 115.31 117.02 5req h LEU 106 Ca 0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 5req h LEU 106 Cb 0.41 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 5req h LEU 106 CO 0.01 0.92 -0.14 0.00 0.09 0.00 0.00 178.44 179.32 5req h ALA 107 N 1.03 1.59 -0.20 1.53 0.00 -1.15 -2.53 119.26 119.52 5req h ALA 107 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.97 5req h ALA 107 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 5req h ALA 107 CO 0.00 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.43 5req n ALA 108 N -2.43 2.49 0.00 0.00 0.00 -0.84 -4.93 120.51 114.80 5req n ALA 108 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.97 5req n ALA 108 Cb 0.22 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.62 5req n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 5req n GLY 109 N 0.97 1.67 3.77 0.00 0.00 -0.95 -4.97 105.19 105.67 5req n GLY 109 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 5req n GLY 109 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 5req s GLN 110 N 0.00 3.97 -0.26 1.61 0.74 -0.84 -4.91 119.66 119.96 5req s GLN 110 Ca 0.00 2.20 -0.15 0.00 0.05 0.00 0.00 55.36 57.46 5req s GLN 110 Cb 0.00 -2.77 -0.11 0.00 1.10 0.00 0.00 33.01 31.23 5req s GLN 110 CO 0.00 -0.51 -0.35 1.17 -0.55 0.00 0.00 175.29 175.05 5req n LYS 111 N 0.15 0.58 -4.36 1.67 3.00 -0.52 -4.52 118.16 114.15 5req n LYS 111 Ca 0.03 0.25 -0.24 0.00 -0.00 0.00 0.00 58.31 58.36 5req n LYS 111 Cb 0.43 -1.48 -0.09 0.00 0.00 0.00 0.00 35.03 33.89 5req n LYS 111 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 5req s GLY 112 N -5.37 1.75 0.32 3.14 0.00 -0.67 -4.79 107.32 101.70 5req s GLY 112 Ca -0.37 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 42.66 5req s GLY 112 CO 0.48 -1.76 0.52 1.08 0.00 0.00 0.00 173.10 173.41 5req s LEU 113 N -3.41 4.06 -0.26 0.66 1.43 -0.91 -4.19 118.68 116.06 5req s LEU 113 Ca 0.29 0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 53.81 5req s LEU 113 Cb -0.06 -3.28 0.14 0.00 0.03 0.00 0.00 46.19 43.02 5req s LEU 113 CO 0.17 -0.24 0.41 -0.55 0.23 0.00 0.00 176.35 176.37 5req s SER 114 N -3.86 -0.01 -0.20 2.29 0.15 -1.25 -1.13 113.70 109.68 5req s SER 114 Ca 0.40 0.29 -0.24 0.00 0.70 0.00 0.00 55.95 57.10 5req s SER 114 Cb -0.10 1.28 -0.01 0.00 -1.71 0.00 0.00 66.02 65.48 5req s SER 114 CO 0.34 -0.30 0.78 -0.69 1.20 0.00 0.00 173.24 174.57 5req s VAL 115 N 2.60 4.90 -0.20 4.45 1.01 -0.65 -0.96 120.40 131.55 5req s VAL 115 Ca 0.14 1.49 -0.12 0.00 0.00 0.00 0.00 61.98 63.49 5req s VAL 115 Cb -0.15 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 5req s VAL 115 CO -0.17 0.01 0.20 0.00 0.00 0.00 0.00 175.10 175.14 5req s ALA 116 N 2.34 3.64 0.21 5.51 0.00 0.00 -2.23 121.76 131.22 5req s ALA 116 Ca 0.34 -0.66 0.08 0.00 0.00 0.00 0.00 51.96 51.73 5req s ALA 116 Cb -0.16 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 5req s ALA 116 CO 0.10 0.03 0.01 -0.06 0.00 0.00 0.00 175.76 175.84 5req s PHE 117 N 0.62 2.82 1.01 0.00 0.40 -1.26 -1.47 117.98 120.09 5req s PHE 117 Ca 0.11 -0.16 -0.14 0.00 -0.60 0.00 0.00 56.93 56.13 5req s PHE 117 Cb -0.12 -1.32 0.19 0.00 0.51 0.00 0.00 43.02 42.28 5req s PHE 117 CO 0.02 0.55 1.14 0.16 0.70 0.00 0.00 175.22 177.79 5req s ASP 118 N -3.25 2.66 0.13 1.36 1.47 0.75 -4.02 116.67 115.77 5req s ASP 118 Ca 0.29 0.85 -0.15 0.00 1.18 0.00 0.00 52.55 54.72 5req s ASP 118 Cb -0.08 -1.31 -0.01 0.00 -0.34 0.00 0.00 42.92 41.18 5req s ASP 118 CO 0.19 -3.07 1.62 -0.07 0.68 0.00 0.00 175.17 174.52 5req h LEU 119 N -1.86 0.64 -0.25 2.11 3.38 -1.90 -2.60 115.31 114.82 5req h LEU 119 Ca -0.50 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.29 5req h LEU 119 Cb 1.31 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.83 5req h LEU 119 CO 0.52 0.72 -0.14 -0.65 0.09 0.00 0.00 178.44 178.98 5req h PRO 120 N 0.53 -0.12 -0.55 1.13 0.11 -1.87 -1.76 132.00 129.47 5req h PRO 120 Ca 0.13 0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.30 5req h PRO 120 Cb 0.34 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.43 5req h PRO 120 CO 0.00 -0.08 0.26 1.15 -0.21 0.00 0.00 178.00 179.13 5req h THR 121 N -0.12 0.90 -0.46 -1.15 2.02 -1.61 -0.81 112.91 111.68 5req h THR 121 Ca 0.14 -0.17 0.09 0.00 0.77 0.00 0.00 66.41 67.24 5req h THR 121 Cb 0.33 0.37 -0.09 0.00 -1.74 0.00 0.00 68.15 67.02 5req h THR 121 CO -0.32 0.09 -0.09 0.45 0.37 0.00 0.00 175.52 176.01 5req h HIS 122 N 0.50 -0.21 -0.32 3.16 3.86 -0.94 -2.87 115.15 118.32 5req h HIS 122 Ca 0.26 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 5req h HIS 122 Cb 0.21 0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 5req h HIS 122 CO -0.12 -0.18 0.01 0.54 0.86 0.00 0.00 177.93 179.04 5req n ARG 123 N -5.32 3.08 -3.00 2.45 1.74 -0.84 -1.39 116.66 113.39 5req n ARG 123 Ca 0.04 -1.72 -0.19 0.00 -0.77 0.00 0.00 57.85 55.21 5req n ARG 123 Cb 0.25 -1.91 0.04 0.00 -1.02 0.00 0.00 32.46 29.82 5req n ARG 123 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 5req n GLY 124 N 0.31 -0.31 3.58 -0.13 0.00 -0.96 -4.94 105.19 102.75 5req n GLY 124 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 5req n GLY 124 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 5req s TYR 125 N -3.11 2.84 0.67 1.61 2.02 -0.35 -4.12 117.35 116.90 5req s TYR 125 Ca 0.30 -0.08 -0.08 0.00 -0.37 0.00 0.00 57.07 56.84 5req s TYR 125 Cb -0.13 -1.57 0.03 0.00 -0.40 0.00 0.00 41.96 39.88 5req s TYR 125 CO 0.37 0.37 1.01 -0.51 -1.57 0.00 0.00 175.55 175.22 5req s ASP 126 N -1.54 5.29 0.16 2.29 1.01 -1.26 -3.69 116.67 118.93 5req s ASP 126 Ca 0.18 0.78 0.25 0.00 0.71 0.00 0.00 52.55 54.47 5req s ASP 126 Cb -0.11 -1.60 0.92 0.00 1.01 0.00 0.00 42.92 43.14 5req s ASP 126 CO 0.08 -1.33 1.77 -1.20 0.21 0.00 0.00 175.17 174.70 5req n SER 127 N -2.84 0.54 -0.49 0.27 7.64 -1.26 -2.60 113.62 114.88 5req n SER 127 Ca 0.06 0.57 0.12 0.00 1.01 0.00 0.00 58.87 60.64 5req n SER 127 Cb 0.58 -0.71 0.22 0.00 -1.01 0.00 0.00 64.21 63.30 5req n SER 127 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 5req n ASP 128 N -2.03 1.77 -4.68 6.43 5.68 -1.26 -4.78 116.55 117.68 5req n ASP 128 Ca 0.05 -1.38 -0.42 0.00 -0.50 0.00 0.00 54.79 52.53 5req n ASP 128 Cb 0.35 0.21 -0.03 0.00 -1.14 0.00 0.00 41.12 40.51 5req n ASP 128 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 5req s ASN 129 N -2.33 6.58 0.29 -1.12 3.84 -1.07 -4.92 114.94 116.21 5req s ASN 129 Ca 0.25 2.47 0.00 0.00 0.21 0.00 0.00 52.86 55.79 5req s ASN 129 Cb 0.19 -2.55 0.52 0.00 -0.55 0.00 0.00 41.25 38.86 5req s ASN 129 CO 0.47 -0.93 1.87 1.55 -2.79 0.00 0.00 177.10 177.27 5req h PRO 130 N 9.07 1.02 0.00 0.43 0.13 -1.90 -3.10 132.00 137.65 5req h PRO 130 Ca -0.43 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 5req h PRO 130 Cb 1.20 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 5req h PRO 130 CO 0.94 0.67 -0.03 0.00 -0.23 0.00 0.00 178.00 179.36 5req h ARG 131 N 1.05 0.00 -0.33 0.86 3.08 -1.97 -3.15 114.38 113.92 5req h ARG 131 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 5req h ARG 131 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 5req h ARG 131 CO -0.20 0.03 0.00 1.33 -1.07 0.00 0.00 179.97 180.05 5req n VAL 132 N -3.96 1.47 -0.15 2.04 0.24 -1.17 -4.83 118.33 111.97 5req n VAL 132 Ca -0.03 -1.30 -0.05 0.00 -2.04 0.00 0.00 64.34 60.91 5req n VAL 132 Cb 0.11 0.23 0.01 0.00 -1.47 0.00 0.00 33.84 32.72 5req n VAL 132 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 5req h ALA 133 N 2.02 0.01 0.00 2.33 0.00 -1.65 -2.46 119.26 119.50 5req h ALA 133 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 5req h ALA 133 Cb 1.00 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.42 5req h ALA 133 CO 0.08 -0.63 0.00 0.41 0.00 0.00 0.00 179.25 179.11 5req n GLY 134 N -1.42 -1.19 0.13 0.00 0.00 -1.26 -2.80 105.19 98.66 5req n GLY 134 Ca 0.03 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.25 5req n GLY 134 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 5req n ASP 135 N -2.24 1.22 -4.65 1.61 8.00 -0.95 -4.62 116.55 114.93 5req n ASP 135 Ca 0.01 -1.11 -0.42 0.00 0.71 0.00 0.00 54.79 53.98 5req n ASP 135 Cb 0.19 0.85 -0.03 0.00 -0.02 0.00 0.00 41.12 42.11 5req n ASP 135 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 5req s VAL 136 N -2.72 3.01 -2.08 2.53 1.01 -1.07 -2.11 120.40 118.97 5req s VAL 136 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.09 5req s VAL 136 Cb 0.16 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.53 5req s VAL 136 CO 0.73 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.44 5req n GLY 137 N 4.85 1.22 0.09 4.51 0.00 -1.26 -4.75 105.19 109.85 5req n GLY 137 Ca 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.23 5req n GLY 137 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 5req n MET 138 N -2.58 0.64 0.00 1.61 2.00 -0.90 -1.66 117.12 116.23 5req n MET 138 Ca -0.22 0.14 0.02 0.00 0.00 0.00 0.00 57.70 57.64 5req n MET 138 Cb 0.68 -1.73 0.01 0.00 0.00 0.00 0.00 33.22 32.19 5req n MET 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 5req n ALA 139 N -2.44 2.49 0.00 3.04 0.00 -1.26 -4.81 120.51 117.52 5req n ALA 139 Ca -0.13 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.80 5req n ALA 139 Cb 0.87 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.19 5req n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 5req n GLY 140 N 0.26 -1.22 3.76 0.00 0.00 -1.26 -4.76 105.19 101.99 5req n GLY 140 Ca 0.02 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 5req n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5req s VAL 141 N -3.00 3.11 -0.51 1.61 0.11 -0.54 -2.78 120.40 118.40 5req s VAL 141 Ca 0.00 1.12 -0.23 0.00 -2.93 0.00 0.00 61.98 59.94 5req s VAL 141 Cb 0.00 -3.71 0.04 0.00 -1.53 0.00 0.00 36.38 31.18 5req s VAL 141 CO 0.00 0.27 0.83 0.00 -3.33 0.00 0.00 175.10 172.87 5req s ALA 142 N -1.15 3.24 -0.22 1.54 0.00 -0.79 -0.18 121.76 124.20 5req s ALA 142 Ca 0.47 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 51.16 5req s ALA 142 Cb -0.36 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.21 5req s ALA 142 CO 0.47 -2.17 -0.12 0.42 0.00 0.00 0.00 175.76 174.36 5req s ILE 143 N 3.49 2.48 -0.12 0.00 -1.09 -1.26 -4.63 121.20 120.08 5req s ILE 143 Ca 0.27 -1.06 0.06 0.00 -2.23 0.00 0.00 60.65 57.69 5req s ILE 143 Cb -0.14 -2.21 -0.11 0.00 -1.58 0.00 0.00 42.46 38.42 5req s ILE 143 CO 0.19 0.30 -0.03 0.47 -1.23 0.00 0.00 174.94 174.64 5req n ASP 144 N 4.62 2.67 -0.67 3.58 8.00 -1.26 -4.72 116.55 128.77 5req n ASP 144 Ca -0.18 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.29 5req n ASP 144 Cb 0.48 0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 5req n ASP 144 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 5req n SER 145 N -2.60 0.00 -0.27 -2.24 3.41 -1.26 -0.76 113.62 109.90 5req n SER 145 Ca -0.20 -0.67 0.03 0.00 -0.26 0.00 0.00 58.87 57.78 5req n SER 145 Cb 0.80 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 65.00 5req n SER 145 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 5req h ILE 146 N 0.67 1.09 -0.67 -1.33 6.09 -1.85 -2.46 117.51 119.06 5req h ILE 146 Ca 0.00 -0.34 0.10 0.00 -1.37 0.00 0.00 64.86 63.24 5req h ILE 146 Cb 0.00 0.00 -0.11 0.00 0.47 0.00 0.00 36.82 37.18 5req h ILE 146 CO 0.00 0.18 -0.44 1.88 -3.07 0.00 0.00 178.15 176.71 5req h TYR 147 N 1.00 -1.29 -0.22 2.19 -1.99 -1.97 -0.85 116.97 113.84 5req h TYR 147 Ca 0.36 0.09 0.01 0.00 2.00 0.00 0.00 58.73 61.18 5req h TYR 147 Cb 0.14 0.66 -0.01 0.00 2.00 0.00 0.00 36.73 39.51 5req h TYR 147 CO -0.00 -0.41 0.13 -0.44 -0.00 0.00 0.00 178.16 177.43 5req h ASP 148 N -0.18 0.21 -0.62 3.88 3.32 -1.79 -2.89 116.42 118.35 5req h ASP 148 Ca 0.20 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 5req h ASP 148 Cb 0.55 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 5req h ASP 148 CO -0.75 0.16 0.16 -0.03 -1.72 0.00 0.00 179.24 177.06 5req h MET 149 N 0.27 1.02 -0.13 3.56 4.05 -1.32 -1.29 114.93 121.09 5req h MET 149 Ca 0.09 -0.23 0.02 0.00 -0.28 0.00 0.00 59.70 59.29 5req h MET 149 Cb -0.01 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.63 5req h MET 149 CO -0.04 0.90 0.02 -0.09 0.23 0.00 0.00 176.91 177.93 5req h ARG 150 N 0.98 0.07 -0.33 0.39 2.43 -1.20 -3.06 114.38 113.65 5req h ARG 150 Ca 0.21 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.27 5req h ARG 150 Cb 0.34 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 5req h ARG 150 CO 0.00 0.05 -0.23 0.93 -1.51 0.00 0.00 179.97 179.21 5req h GLU 151 N 0.07 0.63 -0.56 0.20 5.08 -1.27 -1.97 114.58 116.76 5req h GLU 151 Ca 0.06 -0.24 0.03 0.00 -1.00 0.00 0.00 59.36 58.20 5req h GLU 151 Cb 0.06 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 5req h GLU 151 CO -0.08 0.81 0.33 1.25 -1.00 0.00 0.00 179.01 180.32 5req h LEU 152 N 0.56 0.54 -2.94 1.33 5.85 -1.17 -2.97 115.31 116.51 5req h LEU 152 Ca 0.08 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.81 5req h LEU 152 Cb 0.69 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.61 5req h LEU 152 CO 0.05 0.38 0.00 0.49 -0.34 0.00 0.00 178.44 179.02 5req n PHE 153 N -4.77 1.33 -2.11 1.25 3.72 -1.17 -4.36 117.46 111.35 5req n PHE 153 Ca 0.05 -0.56 -0.42 0.00 -0.05 0.00 0.00 57.45 56.47 5req n PHE 153 Cb 0.08 -0.17 -0.03 0.00 -0.94 0.00 0.00 39.48 38.43 5req n PHE 153 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 5req s ALA 154 N -1.60 3.62 0.00 4.37 0.00 -0.74 -1.91 121.76 125.50 5req s ALA 154 Ca 0.50 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.36 5req s ALA 154 Cb 0.30 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.74 5req s ALA 154 CO 0.27 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.25 5req n GLY 155 N 3.91 0.75 2.80 0.00 0.00 -1.26 -5.00 105.19 106.39 5req n GLY 155 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 5req n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 5req s ILE 156 N -2.26 1.46 0.06 -0.61 1.01 -0.80 -5.09 121.20 114.97 5req s ILE 156 Ca 0.00 -2.09 -0.30 0.00 0.00 0.00 0.00 60.65 58.26 5req s ILE 156 Cb 0.00 -2.07 -0.09 0.00 0.01 0.00 0.00 42.46 40.31 5req s ILE 156 CO 0.00 -0.74 1.94 -2.84 0.00 0.00 0.00 174.94 173.30 5req s PRO 157 N 0.94 4.14 0.00 2.79 0.02 -1.26 -4.92 135.00 136.71 5req s PRO 157 Ca 0.13 2.61 0.29 0.00 0.02 0.00 0.00 61.00 64.05 5req s PRO 157 Cb -0.20 -4.02 1.30 0.00 0.02 0.00 0.00 34.50 31.59 5req s PRO 157 CO -0.12 -0.93 1.89 1.28 -0.33 0.00 0.00 177.00 178.79 5req n LEU 158 N 7.09 0.66 0.05 -5.54 4.77 -1.26 -2.31 117.00 120.46 5req n LEU 158 Ca 0.19 -0.14 -0.05 0.00 -0.03 0.00 0.00 56.01 55.99 5req n LEU 158 Cb 0.40 -0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.31 5req n LEU 158 CO 0.67 0.12 0.00 -2.24 -1.33 0.00 0.00 177.39 174.61 5req h ASP 159 N 0.93 0.00 -0.01 -1.43 2.03 -1.91 -3.35 116.42 112.68 5req h ASP 159 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 5req h ASP 159 Cb 0.33 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.83 5req h ASP 159 CO 0.00 0.85 -0.52 0.00 -1.03 0.00 0.00 179.24 178.54 5req n GLN 160 N -3.20 1.74 -4.64 4.15 6.02 -1.16 -4.90 117.38 115.39 5req n GLN 160 Ca -0.05 -0.45 -0.31 0.00 -0.01 0.00 0.00 57.00 56.19 5req n GLN 160 Cb 0.91 -1.26 -0.13 0.00 1.02 0.00 0.00 30.24 30.78 5req n GLN 160 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 5req s MET 161 N -2.18 2.02 -0.30 -1.09 1.75 -0.98 -5.06 119.30 113.47 5req s MET 161 Ca 0.10 -1.01 -0.15 0.00 -1.25 0.00 0.00 55.69 53.38 5req s MET 161 Cb 0.13 -2.17 -0.03 0.00 2.84 0.00 0.00 34.83 35.60 5req s MET 161 CO 0.52 0.53 0.39 0.45 -0.65 0.00 0.00 175.02 176.26 5req s SER 162 N -1.49 6.25 -0.15 1.11 0.15 -1.26 -4.43 113.70 113.89 5req s SER 162 Ca 0.15 0.13 0.02 0.00 0.70 0.00 0.00 55.95 56.94 5req s SER 162 Cb -0.10 -2.22 0.01 0.00 -1.71 0.00 0.00 66.02 62.00 5req s SER 162 CO 0.05 -0.27 -0.21 -0.69 1.20 0.00 0.00 173.24 173.33 5req s VAL 163 N 2.11 2.11 -0.03 4.45 1.01 -0.76 -2.15 120.40 127.14 5req s VAL 163 Ca 0.15 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 5req s VAL 163 Cb -0.16 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 5req s VAL 163 CO 0.11 0.55 0.11 -0.55 0.00 0.00 0.00 175.10 175.31 5req s SER 164 N 0.87 5.91 -0.09 3.32 0.15 -0.28 -1.50 113.70 122.07 5req s SER 164 Ca -0.06 0.24 -0.01 0.00 0.70 0.00 0.00 55.95 56.83 5req s SER 164 Cb -0.15 -1.77 0.03 0.00 -1.71 0.00 0.00 66.02 62.41 5req s SER 164 CO -0.03 0.30 -0.05 -0.04 1.20 0.00 0.00 173.24 174.63 5req s MET 165 N -1.58 1.15 -0.96 5.44 -1.94 0.04 -1.63 119.30 119.82 5req s MET 165 Ca 0.22 -0.11 -0.21 0.00 -1.71 0.00 0.00 55.69 53.88 5req s MET 165 Cb -0.12 -1.31 0.09 0.00 2.01 0.00 0.00 34.83 35.50 5req s MET 165 CO 0.12 -0.26 1.27 0.99 -0.01 0.00 0.00 175.02 177.12 5req s THR 166 N 1.74 4.34 -0.26 2.05 2.01 -0.95 -1.57 115.64 123.00 5req s THR 166 Ca 0.04 -1.13 -0.06 0.00 0.31 0.00 0.00 61.69 60.85 5req s THR 166 Cb -0.13 -4.90 0.13 0.00 0.01 0.00 0.00 72.50 67.61 5req s THR 166 CO -0.06 -1.70 0.53 -0.32 -0.69 0.00 0.00 174.62 172.37 5req s MET 167 N 3.81 0.46 0.02 4.92 0.00 -1.26 -4.56 119.30 122.70 5req s MET 167 Ca 0.38 1.09 0.00 0.00 0.00 0.00 0.00 55.69 57.16 5req s MET 167 Cb -0.03 0.43 0.00 0.00 0.00 0.00 0.00 34.83 35.23 5req s MET 167 CO -0.08 -0.38 0.00 0.09 0.00 0.00 0.00 175.02 174.65 5req n ASN 168 N 5.41 0.21 0.07 1.11 3.02 -1.26 -1.43 115.26 122.40 5req n ASN 168 Ca -0.07 0.03 -0.03 0.00 -0.03 0.00 0.00 54.58 54.48 5req n ASN 168 Cb 0.50 -0.06 -0.01 0.00 -0.61 0.00 0.00 39.78 39.59 5req n ASN 168 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 5req h GLY 169 N 0.00 -0.20 -4.62 7.41 0.00 -1.67 -3.29 103.07 100.69 5req h GLY 169 Ca 0.00 0.07 -0.60 0.00 0.00 0.00 0.00 47.33 46.80 5req h GLY 169 CO 0.00 -0.07 0.67 0.00 0.00 0.00 0.00 176.54 177.14 5req n ALA 170 N -2.12 6.40 -0.21 3.60 0.00 -0.49 -4.71 120.51 122.99 5req n ALA 170 Ca -0.02 -3.40 -0.07 0.00 0.00 0.00 0.00 53.44 49.95 5req n ALA 170 Cb 0.08 -2.03 0.03 0.00 0.00 0.00 0.00 19.45 17.53 5req n ALA 170 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 5req h VAL 171 N 1.89 1.20 0.58 0.00 3.04 -1.85 -2.49 116.25 118.62 5req h VAL 171 Ca 0.47 -0.51 -0.02 0.00 -1.01 0.00 0.00 66.70 65.62 5req h VAL 171 Cb 0.47 0.43 -0.02 0.00 -2.01 0.00 0.00 31.29 30.17 5req h VAL 171 CO 1.12 0.22 -0.49 -0.07 -1.01 0.00 0.00 177.57 177.34 5req h LEU 172 N 0.82 -1.32 -0.59 3.16 3.38 -1.90 0.16 115.31 119.03 5req h LEU 172 Ca 0.21 0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.32 5req h LEU 172 Cb 0.06 0.42 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 5req h LEU 172 CO -0.03 -0.68 0.34 1.55 0.09 0.00 0.00 178.44 179.71 5req h PRO 173 N -1.05 0.64 -0.16 1.13 0.13 -1.92 -1.63 132.00 129.13 5req h PRO 173 Ca -0.07 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.94 5req h PRO 173 Cb 0.89 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 5req h PRO 173 CO -0.02 0.42 -0.20 0.82 -0.23 0.00 0.00 178.00 178.79 5req h ILE 174 N 0.66 1.35 -0.54 -3.56 1.08 -1.31 -2.21 117.51 112.98 5req h ILE 174 Ca 0.25 -1.40 0.01 0.00 -0.39 0.00 0.00 64.86 63.33 5req h ILE 174 Cb 0.09 1.88 -0.03 0.00 -3.07 0.00 0.00 36.82 35.69 5req h ILE 174 CO -0.13 0.42 0.35 0.25 -0.69 0.00 0.00 178.15 178.35 5req h LEU 175 N 0.06 0.60 -0.61 1.44 5.85 -0.58 -2.28 115.31 119.79 5req h LEU 175 Ca 0.02 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.77 5req h LEU 175 Cb 0.76 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 5req h LEU 175 CO 0.05 0.43 0.35 0.00 -0.34 0.00 0.00 178.44 178.93 5req h ALA 176 N 1.21 0.81 -0.16 1.25 0.00 -1.34 -1.97 119.26 119.06 5req h ALA 176 Ca 0.20 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 5req h ALA 176 Cb -0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 5req h ALA 176 CO -0.06 0.04 -0.24 -0.07 0.00 0.00 0.00 179.25 178.92 5req h LEU 177 N 0.66 0.28 0.17 0.00 3.38 -1.13 0.03 115.31 118.70 5req h LEU 177 Ca 0.27 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 5req h LEU 177 Cb 0.12 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 5req h LEU 177 CO -0.15 0.53 -0.10 0.22 0.09 0.00 0.00 178.44 179.02 5req h TYR 178 N 0.25 -0.27 -0.50 1.13 3.20 -1.11 0.30 116.97 119.98 5req h TYR 178 Ca 0.04 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.99 5req h TYR 178 Cb 0.57 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.87 5req h TYR 178 CO 0.01 -0.16 0.13 0.28 -1.64 0.00 0.00 178.16 176.77 5req h VAL 179 N -0.26 0.76 -0.75 1.81 2.07 -0.90 -0.47 116.25 118.51 5req h VAL 179 Ca -0.02 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 5req h VAL 179 Cb 0.22 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 5req h VAL 179 CO 0.02 0.05 0.31 0.58 0.02 0.00 0.00 177.57 178.55 5req h VAL 180 N 0.27 1.25 -0.42 2.57 2.07 -0.90 -1.51 116.25 119.58 5req h VAL 180 Ca 0.25 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.98 5req h VAL 180 Cb 0.31 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 5req h VAL 180 CO -0.30 0.32 0.28 0.74 0.02 0.00 0.00 177.57 178.63 5req h THR 181 N 1.09 1.11 -0.14 2.57 2.02 0.36 -2.82 112.91 117.08 5req h THR 181 Ca 0.25 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 67.27 5req h THR 181 Cb 0.20 0.50 -0.06 0.00 -1.74 0.00 0.00 68.15 67.06 5req h THR 181 CO -0.02 0.11 -0.21 0.00 0.37 0.00 0.00 175.52 175.76 5req h ALA 182 N 1.15 -0.16 -0.65 6.16 0.00 -0.97 -3.19 119.26 121.60 5req h ALA 182 Ca 0.15 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.25 5req h ALA 182 Cb -0.06 0.42 -0.12 0.00 0.00 0.00 0.00 17.79 18.04 5req h ALA 182 CO -0.03 -0.66 -0.05 1.49 0.00 0.00 0.00 179.25 179.99 5req h GLU 183 N -0.26 0.07 0.00 0.00 4.81 -1.04 -1.62 114.58 116.54 5req h GLU 183 Ca 0.10 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 5req h GLU 183 Cb 0.42 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 5req h GLU 183 CO -0.30 0.05 -0.01 0.93 -0.73 0.00 0.00 179.01 178.95 5req h GLU 184 N 0.07 0.00 0.00 1.92 5.08 -1.51 0.96 114.58 121.11 5req h GLU 184 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 5req h GLU 184 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 5req h GLU 184 CO -0.60 0.01 -0.40 1.96 -1.00 0.00 0.00 179.01 178.98 5req h GLN 185 N 0.00 0.00 0.00 2.33 4.20 -1.42 -3.48 115.11 116.75 5req h GLN 185 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 5req h GLN 185 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 5req h GLN 185 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 5req n GLY 186 N 1.32 0.73 3.69 3.46 0.00 0.33 -5.03 105.19 109.69 5req n GLY 186 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 5req n GLY 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5req s VAL 187 N -2.01 5.17 0.74 1.61 1.01 -0.67 -4.95 120.40 121.30 5req s VAL 187 Ca 0.00 0.89 -0.12 0.00 0.00 0.00 0.00 61.98 62.75 5req s VAL 187 Cb 0.00 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.62 5req s VAL 187 CO 0.00 0.26 1.12 -0.54 0.00 0.00 0.00 175.10 175.94 5req s LYS 188 N 1.13 2.55 0.46 2.72 1.02 -1.26 -2.91 119.74 123.44 5req s LYS 188 Ca 0.23 0.38 0.14 0.00 0.02 0.00 0.00 55.97 56.75 5req s LYS 188 Cb -0.15 -1.99 1.04 0.00 -0.52 0.00 0.00 37.83 36.21 5req s LYS 188 CO 0.09 -1.24 2.02 -1.35 -0.92 0.00 0.00 175.35 173.96 5req h PRO 189 N -0.80 0.03 0.00 -1.68 0.11 -1.92 -3.12 132.00 124.62 5req h PRO 189 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 5req h PRO 189 Cb 1.28 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 5req h PRO 189 CO 0.64 0.16 0.00 1.05 -0.21 0.00 0.00 178.00 179.64 5req h GLU 190 N 0.03 0.00 -0.00 1.05 9.09 -1.91 -2.98 114.58 119.86 5req h GLU 190 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.42 5req h GLU 190 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.34 5req h GLU 190 CO 0.02 0.00 -0.27 1.04 0.05 0.00 0.00 179.01 179.85 5req n GLN 191 N -2.75 0.00 -2.42 1.06 6.02 -1.18 -4.48 117.38 113.63 5req n GLN 191 Ca 0.03 -0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.59 5req n GLN 191 Cb 0.39 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.12 5req n GLN 191 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 5req s LEU 192 N -3.00 3.94 -0.18 1.08 1.43 -1.12 -4.71 118.68 116.11 5req s LEU 192 Ca 0.12 1.31 -0.06 0.00 -1.03 0.00 0.00 54.13 54.48 5req s LEU 192 Cb 0.18 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 5req s LEU 192 CO 0.62 -1.02 0.03 0.00 0.23 0.00 0.00 176.35 176.20 5req s ALA 193 N 4.22 3.22 0.00 4.21 0.00 -1.26 -3.35 121.76 128.80 5req s ALA 193 Ca 0.56 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.70 5req s ALA 193 Cb -0.18 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.14 5req s ALA 193 CO 0.21 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.49 5req n GLY 194 N 3.72 -0.87 3.09 0.00 0.00 -1.24 -1.82 105.19 108.07 5req n GLY 194 Ca -0.17 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 5req n GLY 194 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 5req s THR 195 N -3.00 0.01 -0.08 2.61 2.01 -0.56 -0.02 115.64 116.60 5req s THR 195 Ca 0.00 -0.07 0.04 0.00 0.31 0.00 0.00 61.69 61.97 5req s THR 195 Cb 0.00 -0.30 -0.01 0.00 0.01 0.00 0.00 72.50 72.20 5req s THR 195 CO 0.00 -0.04 -0.22 -0.51 -0.69 0.00 0.00 174.62 173.16 5req s ILE 196 N -0.06 2.24 0.04 1.82 1.10 -0.99 -0.78 121.20 124.58 5req s ILE 196 Ca -0.02 -0.98 -0.31 0.00 -0.51 0.00 0.00 60.65 58.83 5req s ILE 196 Cb -0.02 -1.85 -0.18 0.00 0.15 0.00 0.00 42.46 40.56 5req s ILE 196 CO 0.00 0.56 1.41 -0.61 -2.11 0.00 0.00 174.94 174.19 5req h GLN 197 N 6.37 -0.95 -6.42 3.50 4.15 -1.35 -3.15 115.11 117.26 5req h GLN 197 Ca -0.27 0.06 -0.49 0.00 0.77 0.00 0.00 58.65 58.73 5req h GLN 197 Cb 1.21 0.22 -0.06 0.00 0.21 0.00 0.00 27.48 29.05 5req h GLN 197 CO 0.48 -0.61 -0.83 -1.71 -1.93 0.00 0.00 178.83 174.23 5req n ASN 198 N -5.47 -2.25 -3.95 -0.69 4.05 -0.52 -1.37 115.26 105.06 5req n ASN 198 Ca -0.13 -0.91 -0.30 0.00 0.45 0.00 0.00 54.58 53.68 5req n ASN 198 Cb 0.40 -3.40 -0.15 0.00 1.23 0.00 0.00 39.78 37.87 5req n ASN 198 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 5req s ASP 199 N -3.87 4.47 0.26 1.20 -1.08 -1.26 -4.79 116.67 111.60 5req s ASP 199 Ca 0.33 -2.42 0.21 0.00 -0.52 0.00 0.00 52.55 50.15 5req s ASP 199 Cb -0.17 -1.52 0.09 0.00 -1.46 0.00 0.00 42.92 39.85 5req s ASP 199 CO 0.87 -0.33 1.22 -0.29 0.52 0.00 0.00 175.17 177.16 5req h ILE 200 N 6.14 0.16 -0.78 4.11 6.09 -1.90 -3.31 117.51 128.01 5req h ILE 200 Ca -0.06 -1.26 -0.02 0.00 -1.37 0.00 0.00 64.86 62.15 5req h ILE 200 Cb 0.97 1.81 -0.04 0.00 0.47 0.00 0.00 36.82 40.04 5req h ILE 200 CO 0.57 0.09 0.42 -0.07 -3.07 0.00 0.00 178.15 176.08 5req h LEU 201 N 0.00 0.99 -0.65 2.19 3.38 -1.99 -1.52 115.31 117.71 5req h LEU 201 Ca -0.02 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.84 5req h LEU 201 Cb 1.12 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.62 5req h LEU 201 CO 0.01 0.81 0.00 0.07 0.09 0.00 0.00 178.44 179.42 5req h LYS 202 N 1.09 0.00 -0.19 1.13 5.09 -1.92 -2.24 116.57 119.53 5req h LYS 202 Ca 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.99 5req h LYS 202 Cb 0.05 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.38 5req h LYS 202 CO -0.04 0.00 0.03 0.93 -2.09 0.00 0.00 179.45 178.28 5req h GLU 203 N 0.00 0.32 -0.40 0.07 4.39 -1.38 0.19 114.58 117.76 5req h GLU 203 Ca 0.00 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.55 5req h GLU 203 Cb 0.73 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 5req h GLU 203 CO 0.00 0.48 0.01 0.74 -1.16 0.00 0.00 179.01 179.08 5req h PHE 204 N 0.11 0.77 0.13 4.33 0.04 -1.40 -0.89 116.94 120.02 5req h PHE 204 Ca 0.06 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 5req h PHE 204 Cb 0.31 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.26 5req h PHE 204 CO 0.02 0.78 -0.06 1.98 -0.60 0.00 0.00 178.31 180.43 5req h MET 205 N 0.54 -0.17 0.00 1.51 4.05 -1.40 -3.45 114.93 116.01 5req h MET 205 Ca 0.12 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 5req h MET 205 Cb 0.47 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 5req h MET 205 CO 0.02 0.08 0.00 1.33 0.23 0.00 0.00 176.91 178.57 5req n VAL 206 N -5.06 0.00 0.37 -5.77 0.24 0.57 -4.54 118.33 104.13 5req n VAL 206 Ca -0.09 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.33 5req n VAL 206 Cb 0.18 0.00 0.08 0.00 -1.47 0.00 0.00 33.84 32.62 5req n VAL 206 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 5req h ARG 207 N 0.00 0.00 -5.53 7.34 2.43 -1.14 -3.47 114.38 114.01 5req h ARG 207 Ca 0.00 0.00 -0.41 0.00 -0.81 0.00 0.00 59.98 58.76 5req h ARG 207 Cb 0.00 0.00 0.11 0.00 -0.42 0.00 0.00 29.97 29.66 5req h ARG 207 CO 0.00 0.00 -0.67 0.09 -1.51 0.00 0.00 179.97 177.88 5req n ASN 208 N -2.33 -6.25 -1.41 -3.80 3.02 -0.35 -4.80 115.26 99.33 5req n ASN 208 Ca 0.02 -0.49 0.01 0.00 -0.03 0.00 0.00 54.58 54.08 5req n ASN 208 Cb 0.49 -4.95 0.09 0.00 -0.61 0.00 0.00 39.78 34.80 5req n ASN 208 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 5req n THR 209 N -4.87 1.30 -1.33 3.41 -2.24 -1.26 -4.73 114.28 104.56 5req n THR 209 Ca -0.02 -2.48 -0.30 0.00 -2.27 0.00 0.00 64.05 58.98 5req n THR 209 Cb 0.57 0.31 0.12 0.00 -2.10 0.00 0.00 70.33 69.24 5req n THR 209 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 5req s TYR 210 N -2.14 2.50 0.00 4.78 -0.85 -1.26 -3.30 117.35 117.07 5req s TYR 210 Ca 0.37 1.22 0.00 0.00 -0.52 0.00 0.00 57.07 58.14 5req s TYR 210 Cb 0.38 -3.15 0.00 0.00 0.38 0.00 0.00 41.96 39.57 5req s TYR 210 CO -0.09 -2.17 0.00 -0.89 -1.52 0.00 0.00 175.55 170.88 5req n ILE 211 N -3.72 0.00 -2.19 -3.49 5.41 -1.26 -4.86 119.36 109.25 5req n ILE 211 Ca 0.07 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.54 5req n ILE 211 Cb 0.56 -0.82 0.03 0.00 -0.71 0.00 0.00 39.64 38.70 5req n ILE 211 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 5req s TYR 212 N -0.83 3.37 0.94 1.39 2.02 -1.26 -0.83 117.35 122.15 5req s TYR 212 Ca 0.00 0.89 -0.11 0.00 -0.37 0.00 0.00 57.07 57.48 5req s TYR 212 Cb 0.00 -2.78 0.16 0.00 -0.40 0.00 0.00 41.96 38.94 5req s TYR 212 CO 0.00 -0.85 1.11 -2.14 -1.57 0.00 0.00 175.55 172.10 5req s PRO 213 N -5.10 0.82 0.22 -1.71 0.02 -1.26 -4.44 135.00 123.53 5req s PRO 213 Ca 0.55 1.27 -0.10 0.00 0.02 0.00 0.00 61.00 62.73 5req s PRO 213 Cb -0.11 -1.72 0.31 0.00 0.02 0.00 0.00 34.50 33.00 5req s PRO 213 CO 0.48 -2.68 1.67 -1.35 -0.33 0.00 0.00 177.00 174.80 5req h PRO 214 N -1.89 0.15 0.82 5.54 0.11 -1.98 -2.21 132.00 132.55 5req h PRO 214 Ca -0.48 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 5req h PRO 214 Cb 1.28 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.35 5req h PRO 214 CO 0.46 0.10 -0.45 0.37 -0.21 0.00 0.00 178.00 178.27 5req h GLN 215 N 0.16 -1.13 -0.95 1.05 -0.00 -1.99 -0.43 115.11 111.83 5req h GLN 215 Ca 0.33 0.08 0.07 0.00 -0.00 0.00 0.00 58.65 59.12 5req h GLN 215 Cb 0.53 0.26 -0.06 0.00 0.00 0.00 0.00 27.48 28.20 5req h GLN 215 CO -0.50 -0.75 0.61 -1.35 0.00 0.00 0.00 178.83 176.84 5req h PRO 216 N -1.18 1.05 -0.71 -2.39 0.10 -1.94 -1.31 132.00 125.62 5req h PRO 216 Ca -0.11 -0.06 0.01 0.00 0.10 0.00 0.00 66.00 65.94 5req h PRO 216 Cb 0.93 -0.24 -0.04 0.00 0.10 0.00 0.00 31.00 31.75 5req h PRO 216 CO 0.14 0.70 0.47 0.77 0.10 0.00 0.00 178.00 180.18 5req h SER 217 N 1.08 0.82 0.42 -2.05 0.02 -1.28 -0.49 113.55 112.07 5req h SER 217 Ca 0.41 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.27 5req h SER 217 Cb 0.20 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 5req h SER 217 CO -0.16 0.59 -0.32 -0.03 -1.14 0.00 0.00 176.83 175.77 5req h MET 218 N 0.96 0.00 0.01 3.45 -1.53 -0.55 -2.44 114.93 114.83 5req h MET 218 Ca 0.26 0.00 -0.22 0.00 -3.44 0.00 0.00 59.70 56.30 5req h MET 218 Cb -0.11 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 30.94 5req h MET 218 CO -0.06 0.32 -0.95 -0.09 0.14 0.00 0.00 176.91 176.28 5req h ARG 219 N 0.00 0.35 -0.26 0.39 2.43 -0.84 -2.49 114.38 113.95 5req h ARG 219 Ca -0.00 -0.39 0.02 0.00 -0.81 0.00 0.00 59.98 58.80 5req h ARG 219 Cb 0.62 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 5req h ARG 219 CO 0.04 1.08 0.13 0.82 -1.51 0.00 0.00 179.97 180.52 5req h ILE 220 N 0.19 0.99 -0.15 1.20 2.04 -0.80 -1.03 117.51 119.94 5req h ILE 220 Ca -0.07 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.70 5req h ILE 220 Cb 1.59 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 5req h ILE 220 CO 0.16 0.05 0.09 0.40 0.00 0.00 0.00 178.15 178.84 5req h ILE 221 N 0.27 1.02 -0.96 -0.67 2.04 -1.42 -1.83 117.51 115.96 5req h ILE 221 Ca 0.11 -0.06 0.07 0.00 1.00 0.00 0.00 64.86 65.97 5req h ILE 221 Cb 0.04 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 5req h ILE 221 CO -0.08 0.03 0.62 0.77 0.00 0.00 0.00 178.15 179.49 5req h SER 222 N 0.18 0.97 0.70 1.72 4.64 -1.28 -0.72 113.55 119.76 5req h SER 222 Ca 0.06 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 5req h SER 222 Cb -0.01 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 5req h SER 222 CO -0.03 0.62 -0.33 -0.33 -0.87 0.00 0.00 176.83 175.90 5req h GLU 223 N 1.10 0.00 -0.00 4.77 5.08 -0.91 -0.86 114.58 123.76 5req h GLU 223 Ca 0.41 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.57 5req h GLU 223 Cb 0.19 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.46 5req h GLU 223 CO -0.16 0.33 -0.78 0.82 -1.00 0.00 0.00 179.01 178.21 5req h ILE 224 N 0.00 1.37 -0.20 3.13 2.04 -0.33 -2.18 117.51 121.34 5req h ILE 224 Ca -0.00 -2.15 0.05 0.00 1.00 0.00 0.00 64.86 63.76 5req h ILE 224 Cb 0.76 2.51 -0.05 0.00 -0.74 0.00 0.00 36.82 39.30 5req h ILE 224 CO 0.04 0.64 -0.13 -0.26 0.00 0.00 0.00 178.15 178.44 5req h PHE 225 N 0.10 -0.33 -0.77 1.37 0.04 -1.02 0.23 116.94 116.55 5req h PHE 225 Ca -0.10 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 5req h PHE 225 Cb 1.47 0.18 -0.04 0.00 2.20 0.00 0.00 35.95 39.76 5req h PHE 225 CO 0.13 -0.20 0.41 0.00 -0.60 0.00 0.00 178.31 178.05 5req h ALA 226 N 1.01 0.98 -0.23 2.45 0.00 -1.18 0.35 119.26 122.64 5req h ALA 226 Ca 0.12 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 5req h ALA 226 Cb 0.30 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 5req h ALA 226 CO -0.28 0.50 -0.22 -0.92 0.00 0.00 0.00 179.25 178.34 5req h TYR 227 N 1.06 0.66 -0.23 0.00 3.20 -1.10 -3.02 116.97 117.54 5req h TYR 227 Ca 0.27 -0.20 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 5req h TYR 227 Cb 0.05 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 5req h TYR 227 CO 0.00 0.88 -0.04 1.79 -1.64 0.00 0.00 178.16 179.16 5req h THR 228 N 0.25 1.28 -0.74 1.81 1.35 -0.40 -0.49 112.91 115.97 5req h THR 228 Ca 0.04 -1.00 0.17 0.00 -0.55 0.00 0.00 66.41 65.06 5req h THR 228 Cb 0.77 1.47 -0.12 0.00 -1.73 0.00 0.00 68.15 68.54 5req h THR 228 CO 0.05 0.31 0.13 -1.28 -0.25 0.00 0.00 175.52 174.49 5req h SER 229 N 0.18 -0.08 0.06 5.36 0.87 -1.03 0.16 113.55 119.07 5req h SER 229 Ca 0.06 0.16 -0.15 0.00 -1.23 0.00 0.00 61.79 60.63 5req h SER 229 Cb 0.48 0.24 0.02 0.00 -0.44 0.00 0.00 62.40 62.69 5req h SER 229 CO 0.02 -0.08 -0.63 0.00 -0.53 0.00 0.00 176.83 175.61 5req h ALA 230 N 1.64 -0.01 0.00 6.23 0.00 -1.46 -3.42 119.26 122.24 5req h ALA 230 Ca 0.42 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.72 5req h ALA 230 Cb 0.73 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.58 5req h ALA 230 CO -0.55 0.32 -0.74 0.09 0.00 0.00 0.00 179.25 178.37 5req n ASN 231 N -4.23 0.76 -3.25 0.00 3.02 -0.20 -4.88 115.26 106.47 5req n ASN 231 Ca -0.12 -0.73 -0.24 0.00 -0.03 0.00 0.00 54.58 53.46 5req n ASN 231 Cb 0.71 1.07 -0.08 0.00 -0.61 0.00 0.00 39.78 40.87 5req n ASN 231 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 5req n MET 232 N -1.39 0.46 0.11 3.52 2.81 0.53 -2.86 117.12 120.31 5req n MET 232 Ca 0.02 -3.11 0.12 0.00 -1.81 0.00 0.00 57.70 52.92 5req n MET 232 Cb 0.23 -1.44 0.46 0.00 -0.71 0.00 0.00 33.22 31.76 5req n MET 232 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 5req n PRO 233 N 2.13 0.18 0.00 0.03 -0.04 -1.26 -2.12 135.00 133.93 5req n PRO 233 Ca 0.25 0.35 0.12 0.00 -0.04 0.00 0.00 63.50 64.17 5req n PRO 233 Cb 0.51 -1.81 0.22 0.00 -0.04 0.00 0.00 33.50 32.38 5req n PRO 233 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 5req n LYS 234 N -2.15 0.34 -3.02 0.54 5.02 -1.26 -4.95 118.16 112.68 5req n LYS 234 Ca 0.03 -0.22 -0.40 0.00 -2.02 0.00 0.00 58.31 55.70 5req n LYS 234 Cb 0.27 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.74 5req n LYS 234 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 5req s TRP 235 N -2.81 3.45 -0.43 2.13 -0.11 -0.90 -3.62 118.94 116.65 5req s TRP 235 Ca 0.15 1.14 -0.29 0.00 1.22 0.00 0.00 56.10 58.32 5req s TRP 235 Cb 0.18 -2.87 0.03 0.00 -1.50 0.00 0.00 33.47 29.30 5req s TRP 235 CO 0.66 -0.11 1.10 -0.80 -4.62 0.00 0.00 176.95 173.18 5req s ASN 236 N 1.06 6.70 0.07 5.86 0.01 0.97 -4.84 114.94 124.77 5req s ASN 236 Ca 0.35 0.60 0.27 0.00 -0.71 0.00 0.00 52.86 53.37 5req s ASN 236 Cb -0.17 -2.54 1.07 0.00 0.41 0.00 0.00 41.25 40.03 5req s ASN 236 CO 0.13 -1.13 1.85 -1.54 -1.51 0.00 0.00 177.10 174.91 5req n SER 237 N 7.51 0.27 -3.59 -1.22 3.41 -0.71 -2.34 113.62 116.94 5req n SER 237 Ca 0.11 0.53 -0.16 0.00 -0.26 0.00 0.00 58.87 59.09 5req n SER 237 Cb 0.48 -0.60 -0.07 0.00 -0.26 0.00 0.00 64.21 63.77 5req n SER 237 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 5req s ILE 238 N -3.04 0.01 -0.64 -1.33 2.07 -1.22 -4.68 121.20 112.37 5req s ILE 238 Ca 0.12 -0.04 0.05 0.00 -1.41 0.00 0.00 60.65 59.37 5req s ILE 238 Cb 0.16 -0.94 0.16 0.00 0.13 0.00 0.00 42.46 41.97 5req s ILE 238 CO 0.53 -0.02 0.41 -0.55 -1.91 0.00 0.00 174.94 173.40 5req s SER 239 N -0.63 4.64 -0.39 4.50 0.15 -0.47 -1.26 113.70 120.23 5req s SER 239 Ca -0.07 -3.56 -0.27 0.00 0.70 0.00 0.00 55.95 52.75 5req s SER 239 Cb -0.02 -1.64 -0.04 0.00 -1.71 0.00 0.00 66.02 62.61 5req s SER 239 CO 0.06 -0.14 2.12 -0.63 1.20 0.00 0.00 173.24 175.86 5req s ILE 240 N -1.04 3.17 -0.09 6.45 1.01 0.39 -4.65 121.20 126.44 5req s ILE 240 Ca 0.22 0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.98 5req s ILE 240 Cb -0.12 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 5req s ILE 240 CO -0.11 -0.25 0.09 -0.44 0.00 0.00 0.00 174.94 174.24 5req s SER 241 N 8.95 5.95 -0.02 3.58 0.01 -1.26 -1.57 113.70 129.34 5req s SER 241 Ca 0.90 0.32 0.03 0.00 1.31 0.00 0.00 55.95 58.50 5req s SER 241 Cb -0.22 -1.83 -0.04 0.00 0.21 0.00 0.00 66.02 64.14 5req s SER 241 CO 0.30 0.37 0.03 0.61 0.41 0.00 0.00 173.24 174.96 5req n GLY 242 N 1.84 -0.13 0.39 3.44 0.00 0.95 -4.69 105.19 106.99 5req n GLY 242 Ca -0.18 -0.05 -0.07 0.00 0.00 0.00 0.00 46.02 45.71 5req n GLY 242 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 5req h TYR 243 N 0.00 -1.26 -0.85 1.61 3.20 -1.72 -1.83 116.97 116.12 5req h TYR 243 Ca -0.04 0.09 0.07 0.00 3.14 0.00 0.00 58.73 61.99 5req h TYR 243 Cb 0.69 0.64 -0.06 0.00 1.54 0.00 0.00 36.73 39.54 5req h TYR 243 CO 0.00 -0.41 0.52 0.45 -1.64 0.00 0.00 178.16 177.07 5req h HIS 244 N -0.19 0.95 -0.43 -3.82 -0.00 -1.90 1.00 115.15 110.76 5req h HIS 244 Ca 0.20 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.61 5req h HIS 244 Cb 0.56 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 27.64 5req h HIS 244 CO -0.73 0.46 0.26 0.52 -0.00 0.00 0.00 177.93 178.44 5req h MET 245 N 0.92 0.51 -0.69 2.45 2.86 -1.76 -0.35 114.93 118.88 5req h MET 245 Ca 0.38 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.92 5req h MET 245 Cb 0.22 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 5req h MET 245 CO -0.19 0.34 0.18 0.37 1.06 0.00 0.00 176.91 178.66 5req h GLN 246 N 0.53 1.10 0.00 1.72 4.15 -0.52 -1.55 115.11 120.54 5req h GLN 246 Ca 0.17 -0.26 -0.05 0.00 0.77 0.00 0.00 58.65 59.28 5req h GLN 246 Cb -0.01 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.53 5req h GLN 246 CO -0.07 0.97 -0.22 0.93 -1.93 0.00 0.00 178.83 178.51 5req h GLU 247 N 1.03 0.00 0.00 1.69 4.39 -0.56 -2.46 114.58 118.68 5req h GLU 247 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 5req h GLU 247 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 5req h GLU 247 CO 0.00 0.22 0.00 0.00 -1.16 0.00 0.00 179.01 178.07 5req h ALA 248 N 1.78 1.00 0.00 3.43 0.00 -0.87 -3.48 119.26 121.12 5req h ALA 248 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 5req h ALA 248 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 5req h ALA 248 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 5req n GLY 249 N 0.97 0.09 3.77 0.00 0.00 -0.92 -4.59 105.19 104.51 5req n GLY 249 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 5req n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5req n ALA 250 N 0.00 2.11 -1.72 4.61 0.00 -0.63 -4.15 120.51 120.73 5req n ALA 250 Ca 0.00 0.26 -0.31 0.00 0.00 0.00 0.00 53.44 53.39 5req n ALA 250 Cb 0.00 -2.40 0.04 0.00 0.00 0.00 0.00 19.45 17.09 5req n ALA 250 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 5req s THR 251 N -1.18 4.04 0.23 0.00 -4.23 -1.26 -4.54 115.64 108.70 5req s THR 251 Ca 0.60 0.66 -0.06 0.00 -1.18 0.00 0.00 61.69 61.71 5req s THR 251 Cb -0.45 -3.53 0.20 0.00 1.34 0.00 0.00 72.50 70.06 5req s THR 251 CO 0.58 -0.87 1.72 0.00 -0.54 0.00 0.00 174.62 175.52 5req h ALA 252 N -0.63 0.94 -0.75 3.99 0.00 -1.95 -1.19 119.26 119.68 5req h ALA 252 Ca -0.44 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.59 5req h ALA 252 Cb 1.22 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 5req h ALA 252 CO 0.60 -0.24 0.49 0.38 0.00 0.00 0.00 179.25 180.48 5req h ASP 253 N 0.39 0.88 -0.07 0.00 2.03 -1.93 -1.03 116.42 116.68 5req h ASP 253 Ca 0.38 -0.03 -0.16 0.00 -0.73 0.00 0.00 57.03 56.49 5req h ASP 253 Cb 0.56 -0.22 0.01 0.00 -0.83 0.00 0.00 39.33 38.85 5req h ASP 253 CO -0.40 0.65 -0.57 0.40 -1.03 0.00 0.00 179.24 178.29 5req h ILE 254 N 1.03 1.37 0.24 4.15 1.08 -1.81 -2.35 117.51 121.22 5req h ILE 254 Ca 0.27 -1.93 0.00 0.00 -0.39 0.00 0.00 64.86 62.82 5req h ILE 254 Cb -0.09 2.31 -0.02 0.00 -3.07 0.00 0.00 36.82 35.95 5req h ILE 254 CO -0.06 0.58 -0.24 -0.08 -0.69 0.00 0.00 178.15 177.66 5req h GLU 255 N 0.09 -0.50 0.01 2.37 4.81 -1.08 -1.61 114.58 118.67 5req h GLU 255 Ca -0.05 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 5req h GLU 255 Cb 1.24 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.67 5req h GLU 255 CO 0.12 -0.33 -0.54 0.52 -0.73 0.00 0.00 179.01 178.05 5req h MET 256 N -0.51 -0.65 -0.17 1.92 2.86 -1.26 -2.18 114.93 114.93 5req h MET 256 Ca -0.00 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.72 5req h MET 256 Cb 0.48 0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 5req h MET 256 CO -0.06 -0.43 -0.08 0.00 1.06 0.00 0.00 176.91 177.40 5req h ALA 257 N -0.44 0.07 -0.56 6.32 0.00 -1.25 -1.14 119.26 122.26 5req h ALA 257 Ca 0.01 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 5req h ALA 257 Cb 0.72 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 5req h ALA 257 CO -0.35 -0.51 0.08 1.88 0.00 0.00 0.00 179.25 180.34 5req h TYR 258 N -0.06 1.00 -0.21 0.00 0.05 -1.35 0.14 116.97 116.54 5req h TYR 258 Ca 0.09 -0.14 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 5req h TYR 258 Cb 0.19 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 5req h TYR 258 CO -0.23 0.88 0.07 1.15 -1.05 0.00 0.00 178.16 178.98 5req h THR 259 N 0.82 1.19 -0.59 -2.88 2.02 -1.22 0.27 112.91 112.52 5req h THR 259 Ca 0.17 -0.58 -0.09 0.00 0.77 0.00 0.00 66.41 66.68 5req h THR 259 Cb 0.43 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 5req h THR 259 CO 0.01 0.19 0.01 -0.07 0.37 0.00 0.00 175.52 176.03 5req h LEU 260 N 0.17 0.99 -0.50 2.58 3.38 -1.12 -1.39 115.31 119.42 5req h LEU 260 Ca 0.07 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.63 5req h LEU 260 Cb 0.22 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 5req h LEU 260 CO -0.00 1.03 -0.26 0.00 0.09 0.00 0.00 178.44 179.30 5req h ALA 261 N 1.07 0.69 -0.38 1.53 0.00 -0.68 -0.76 119.26 120.72 5req h ALA 261 Ca 0.17 -0.41 0.07 0.00 0.00 0.00 0.00 54.91 54.75 5req h ALA 261 Cb 0.53 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 5req h ALA 261 CO 0.03 0.67 -0.05 -0.44 0.00 0.00 0.00 179.25 179.46 5req h ASP 262 N 0.82 -0.27 -0.98 0.00 3.32 -0.20 -2.07 116.42 117.04 5req h ASP 262 Ca 0.10 0.10 0.11 0.00 0.02 0.00 0.00 57.03 57.36 5req h ASP 262 Cb 0.83 0.20 -0.08 0.00 0.22 0.00 0.00 39.33 40.50 5req h ASP 262 CO 0.07 -0.09 0.61 1.23 -1.72 0.00 0.00 179.24 179.34 5req h GLY 263 N 0.04 1.57 0.41 2.75 0.00 -0.38 -1.64 103.07 105.82 5req h GLY 263 Ca 0.18 -0.41 0.07 0.00 0.00 0.00 0.00 47.33 47.17 5req h GLY 263 CO -0.36 0.18 -0.01 -2.08 0.00 0.00 0.00 176.54 174.27 5req h VAL 264 N 0.99 0.72 -0.89 4.60 2.07 -0.51 -0.83 116.25 122.40 5req h VAL 264 Ca 0.47 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.96 5req h VAL 264 Cb 0.43 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 5req h VAL 264 CO -0.25 0.02 0.53 0.44 0.02 0.00 0.00 177.57 178.32 5req h ASP 265 N 0.08 1.07 -0.59 0.57 5.19 -1.01 -2.02 116.42 119.71 5req h ASP 265 Ca 0.17 -0.07 -0.04 0.00 -0.62 0.00 0.00 57.03 56.47 5req h ASP 265 Cb 0.25 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.46 5req h ASP 265 CO -0.30 0.83 0.23 1.88 -3.12 0.00 0.00 179.24 178.75 5req h TYR 266 N 1.22 0.94 -0.32 4.55 0.05 -0.79 -0.67 116.97 121.95 5req h TYR 266 Ca 0.32 -0.06 -0.04 0.00 0.05 0.00 0.00 58.73 58.99 5req h TYR 266 Cb -0.04 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.40 5req h TYR 266 CO 0.00 0.73 0.04 0.82 -1.05 0.00 0.00 178.16 178.71 5req h ILE 267 N 0.90 1.24 -0.60 -2.88 2.04 -0.52 -1.74 117.51 115.95 5req h ILE 267 Ca 0.21 -0.85 0.07 0.00 1.00 0.00 0.00 64.86 65.29 5req h ILE 267 Cb 0.21 1.18 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 5req h ILE 267 CO -0.01 0.28 0.28 0.03 0.00 0.00 0.00 178.15 178.72 5req h ARG 268 N 0.36 0.49 -0.52 2.37 3.08 -1.30 0.49 114.38 119.35 5req h ARG 268 Ca 0.10 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.16 5req h ARG 268 Cb 0.37 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 5req h ARG 268 CO 0.01 0.33 0.27 0.00 -1.07 0.00 0.00 179.97 179.51 5req h ALA 269 N 1.36 0.67 -0.53 0.04 0.00 -0.89 0.17 119.26 120.08 5req h ALA 269 Ca 0.29 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 5req h ALA 269 Cb 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 5req h ALA 269 CO -0.23 -0.06 -0.08 0.78 0.00 0.00 0.00 179.25 179.65 5req h GLY 270 N 0.53 1.07 0.89 0.00 0.00 -0.65 -3.04 103.07 101.87 5req h GLY 270 Ca 0.23 -0.85 0.03 0.00 0.00 0.00 0.00 47.33 46.73 5req h GLY 270 CO -0.15 0.78 0.43 0.83 0.00 0.00 0.00 176.54 178.43 5req h GLU 271 N 0.86 0.82 -0.09 4.80 5.08 -0.41 -2.92 114.58 122.72 5req h GLU 271 Ca 0.14 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 5req h GLU 271 Cb 0.64 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 5req h GLU 271 CO 0.04 0.54 0.18 0.66 -1.00 0.00 0.00 179.01 179.44 5req h SER 272 N 0.85 0.00 -0.62 1.42 4.64 -0.86 -2.39 113.55 116.59 5req h SER 272 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 5req h SER 272 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 5req h SER 272 CO -0.10 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.19 5req n VAL 273 N -3.39 1.49 0.00 0.95 0.24 -1.12 -4.95 118.33 111.55 5req n VAL 273 Ca -0.01 -1.15 0.00 0.00 -2.04 0.00 0.00 64.34 61.15 5req n VAL 273 Cb 0.27 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 5req n VAL 273 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 5req n GLY 274 N 1.13 1.41 3.73 7.63 0.00 -0.90 -4.87 105.19 113.33 5req n GLY 274 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 5req n GLY 274 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 5req s LEU 275 N 0.00 4.52 0.65 0.99 1.43 -1.12 -5.01 118.68 120.14 5req s LEU 275 Ca 0.00 1.92 -0.14 0.00 -1.03 0.00 0.00 54.13 54.88 5req s LEU 275 Cb 0.00 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.62 5req s LEU 275 CO 0.00 -0.08 1.08 0.21 0.23 0.00 0.00 176.35 177.78 5req s ASN 276 N -0.22 5.35 0.25 2.29 3.84 -1.26 -3.90 114.94 121.29 5req s ASN 276 Ca 0.47 1.83 -0.05 0.00 0.21 0.00 0.00 52.86 55.32 5req s ASN 276 Cb -0.26 -2.53 0.29 0.00 -0.55 0.00 0.00 41.25 38.20 5req s ASN 276 CO 0.32 -1.47 1.88 1.62 -2.79 0.00 0.00 177.10 176.67 5req h VAL 277 N -0.10 1.25 0.00 -5.21 3.04 -1.95 -2.33 116.25 110.95 5req h VAL 277 Ca -0.46 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 64.64 5req h VAL 277 Cb 1.23 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 5req h VAL 277 CO 0.55 0.27 0.00 0.47 -1.01 0.00 0.00 177.57 177.86 5req n ASP 278 N -4.34 0.34 0.00 3.17 8.00 -1.26 -0.93 116.55 121.53 5req n ASP 278 Ca 0.09 0.61 0.13 0.00 0.71 0.00 0.00 54.79 56.33 5req n ASP 278 Cb 0.09 -0.67 0.46 0.00 -0.02 0.00 0.00 41.12 40.98 5req n ASP 278 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 5req n GLN 279 N -1.90 0.00 0.00 -1.24 6.02 -0.88 -4.55 117.38 114.83 5req n GLN 279 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 5req n GLN 279 Cb 0.12 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.88 5req n GLN 279 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 5req n PHE 280 N -1.51 0.00 -0.15 1.08 -1.74 -0.99 -4.64 117.46 109.51 5req n PHE 280 Ca 0.06 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 56.93 5req n PHE 280 Cb 0.34 0.00 0.21 0.00 1.52 0.00 0.00 39.48 41.55 5req n PHE 280 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 5req h ALA 281 N 0.00 1.29 0.00 1.98 0.00 -1.27 -2.30 119.26 118.96 5req h ALA 281 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 5req h ALA 281 Cb 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 5req h ALA 281 CO 0.00 0.53 -0.01 -1.00 0.00 0.00 0.00 179.25 178.77 5req h PRO 282 N 0.86 0.00 -0.59 0.00 0.13 -1.81 -1.69 132.00 128.90 5req h PRO 282 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 5req h PRO 282 Cb 0.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.31 5req h PRO 282 CO -0.02 0.01 0.00 0.54 -0.23 0.00 0.00 178.00 178.30 5req n ARG 283 N -3.18 3.76 -2.99 0.86 5.12 -0.87 -4.92 116.66 114.44 5req n ARG 283 Ca -0.02 -2.87 -0.40 0.00 -1.93 0.00 0.00 57.85 52.63 5req n ARG 283 Cb 0.14 -1.90 -0.05 0.00 -1.16 0.00 0.00 32.46 29.50 5req n ARG 283 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 5req s LEU 284 N -1.98 4.40 0.18 0.55 1.43 -0.64 -1.75 118.68 120.89 5req s LEU 284 Ca 0.49 1.38 0.05 0.00 -1.03 0.00 0.00 54.13 55.02 5req s LEU 284 Cb 0.33 -3.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.30 5req s LEU 284 CO 0.22 -0.04 -0.08 -0.94 0.23 0.00 0.00 176.35 175.74 5req s SER 285 N 0.28 1.93 0.51 2.29 1.04 -0.39 -4.62 113.70 114.74 5req s SER 285 Ca 0.39 -1.07 0.01 0.00 0.48 0.00 0.00 55.95 55.76 5req s SER 285 Cb -0.20 -0.03 -0.01 0.00 0.10 0.00 0.00 66.02 65.89 5req s SER 285 CO 0.22 -0.36 0.00 -0.36 0.98 0.00 0.00 173.24 173.72 5req s PHE 286 N -3.29 1.86 -0.28 5.02 0.40 -0.10 -0.46 117.98 121.11 5req s PHE 286 Ca 0.21 -0.96 -0.03 0.00 -0.60 0.00 0.00 56.93 55.55 5req s PHE 286 Cb 0.03 -1.61 0.16 0.00 0.51 0.00 0.00 43.02 42.11 5req s PHE 286 CO 0.04 0.23 0.56 0.12 0.70 0.00 0.00 175.22 176.87 5req s PHE 287 N -2.88 -1.39 0.18 0.36 5.36 -0.61 -1.01 117.98 118.00 5req s PHE 287 Ca 0.05 1.65 0.05 0.00 -0.96 0.00 0.00 56.93 57.72 5req s PHE 287 Cb 0.02 0.50 -0.04 0.00 -0.34 0.00 0.00 43.02 43.16 5req s PHE 287 CO 0.03 -0.80 0.21 -1.58 -1.46 0.00 0.00 175.22 171.62 5req s TRP 288 N 2.80 3.27 0.09 10.12 0.52 -0.34 -0.04 118.94 135.36 5req s TRP 288 Ca 0.14 0.00 -0.10 0.00 0.02 0.00 0.00 56.10 56.17 5req s TRP 288 Cb -0.14 -1.54 -0.06 0.00 -1.15 0.00 0.00 33.47 30.57 5req s TRP 288 CO -0.19 0.51 0.41 0.20 0.02 0.00 0.00 176.95 177.90 5req s GLY 289 N -3.35 2.34 -0.29 0.98 0.00 -1.26 -1.95 107.32 103.78 5req s GLY 289 Ca 0.33 -0.37 0.02 0.00 0.00 0.00 0.00 44.72 44.69 5req s GLY 289 CO 0.26 -0.17 0.01 -0.42 0.00 0.00 0.00 173.10 172.78 5req s ILE 290 N -1.44 1.72 0.00 0.90 -1.09 -0.34 -4.86 121.20 116.09 5req s ILE 290 Ca 0.34 -1.72 0.00 0.00 -2.23 0.00 0.00 60.65 57.05 5req s ILE 290 Cb -0.14 -2.14 0.00 0.00 -1.58 0.00 0.00 42.46 38.60 5req s ILE 290 CO 0.19 -0.41 0.00 0.61 -1.23 0.00 0.00 174.94 174.10 5req n GLY 291 N 4.53 0.66 0.08 6.18 0.00 -1.26 -0.51 105.19 114.87 5req n GLY 291 Ca -0.04 -1.88 0.13 0.00 0.00 0.00 0.00 46.02 44.23 5req n GLY 291 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 5req n MET 292 N -0.34 0.20 -2.59 1.61 2.81 -1.26 -4.50 117.12 113.05 5req n MET 292 Ca 0.00 0.18 -0.43 0.00 -1.81 0.00 0.00 57.70 55.64 5req n MET 292 Cb 0.00 -1.74 -0.00 0.00 -0.71 0.00 0.00 33.22 30.76 5req n MET 292 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 5req s ASN 293 N -4.18 6.80 0.10 7.83 3.84 -1.26 -4.90 114.94 123.16 5req s ASN 293 Ca 0.11 -2.33 -0.21 0.00 0.21 0.00 0.00 52.86 50.64 5req s ASN 293 Cb 0.14 -2.57 -0.06 0.00 -0.55 0.00 0.00 41.25 38.20 5req s ASN 293 CO 0.57 -1.20 1.36 0.15 -2.79 0.00 0.00 177.10 175.19 5req h PHE 294 N 7.87 -1.19 -0.97 0.43 3.57 -1.94 -1.85 116.94 122.86 5req h PHE 294 Ca 0.41 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.99 5req h PHE 294 Cb 0.89 0.58 -0.05 0.00 2.79 0.00 0.00 35.95 40.16 5req h PHE 294 CO 1.40 -0.29 0.62 0.74 -2.23 0.00 0.00 178.31 178.55 5req h PHE 295 N -0.14 1.23 -0.67 0.41 0.04 -1.97 -1.27 116.94 114.58 5req h PHE 295 Ca 0.08 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.79 5req h PHE 295 Cb 0.33 -0.41 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 5req h PHE 295 CO -0.84 0.79 0.14 1.98 -0.60 0.00 0.00 178.31 179.78 5req h MET 296 N 1.32 1.07 -0.51 1.51 4.05 -1.88 -2.60 114.93 117.90 5req h MET 296 Ca 0.35 -0.26 -0.07 0.00 -0.28 0.00 0.00 59.70 59.44 5req h MET 296 Cb -0.12 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.52 5req h MET 296 CO -0.07 0.96 0.04 0.93 0.23 0.00 0.00 176.91 179.00 5req h GLU 297 N 1.01 0.87 -0.18 0.39 4.39 -0.71 0.15 114.58 120.50 5req h GLU 297 Ca 0.21 -0.26 0.04 0.00 0.34 0.00 0.00 59.36 59.69 5req h GLU 297 Cb 0.39 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 5req h GLU 297 CO 0.01 0.88 -0.08 0.28 -1.16 0.00 0.00 179.01 178.94 5req h VAL 298 N 0.74 0.74 -0.57 3.13 2.07 -1.21 -2.35 116.25 118.79 5req h VAL 298 Ca 0.15 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.70 5req h VAL 298 Cb 0.46 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 5req h VAL 298 CO 0.02 0.00 0.34 0.00 0.02 0.00 0.00 177.57 177.95 5req h ALA 299 N 1.12 0.74 -0.39 1.67 0.00 -1.35 -2.87 119.26 118.17 5req h ALA 299 Ca 0.10 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.07 5req h ALA 299 Cb 0.20 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 5req h ALA 299 CO -0.22 0.06 -0.05 -0.22 0.00 0.00 0.00 179.25 178.82 5req h LYS 300 N 0.67 0.05 -0.76 0.00 3.64 -0.19 0.21 116.57 120.18 5req h LYS 300 Ca 0.23 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 5req h LYS 300 Cb 0.04 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 5req h LYS 300 CO -0.11 0.03 0.46 -0.07 -2.27 0.00 0.00 179.45 177.49 5req h LEU 301 N 0.05 0.92 -0.18 5.20 4.07 -1.37 0.24 115.31 124.24 5req h LEU 301 Ca 0.19 -0.06 -0.20 0.00 0.08 0.00 0.00 57.88 57.89 5req h LEU 301 Cb 0.28 -0.23 0.01 0.00 1.08 0.00 0.00 40.66 41.80 5req h LEU 301 CO -0.36 0.71 -0.67 0.03 -1.08 0.00 0.00 178.44 177.07 5req h ARG 302 N 1.04 0.77 -0.38 1.13 3.08 -1.22 -2.91 114.38 115.89 5req h ARG 302 Ca 0.27 -0.59 -0.08 0.00 0.07 0.00 0.00 59.98 59.65 5req h ARG 302 Cb -0.04 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 5req h ARG 302 CO -0.05 1.20 -0.09 0.00 -1.07 0.00 0.00 179.97 179.96 5req h ALA 303 N 0.57 0.52 -0.95 0.04 0.00 -0.46 -2.89 119.26 116.09 5req h ALA 303 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.57 5req h ALA 303 Cb 1.30 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 5req h ALA 303 CO 0.14 0.37 0.60 0.00 0.00 0.00 0.00 179.25 180.36 5req h ALA 304 N 0.83 1.21 -0.61 0.00 0.00 -1.03 -1.96 119.26 117.70 5req h ALA 304 Ca 0.10 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.98 5req h ALA 304 Cb 0.60 -0.38 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 5req h ALA 304 CO 0.04 0.64 0.30 0.00 0.00 0.00 0.00 179.25 180.23 5req h ARG 305 N 1.30 0.54 -0.75 0.00 3.08 -1.30 -1.94 114.38 115.31 5req h ARG 305 Ca 0.34 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.31 5req h ARG 305 Cb -0.10 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 5req h ARG 305 CO -0.07 0.36 0.27 0.52 -1.07 0.00 0.00 179.97 179.98 5req h MET 306 N 0.56 1.14 -0.52 0.04 2.86 -1.39 -2.63 114.93 114.98 5req h MET 306 Ca 0.28 -0.22 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 5req h MET 306 Cb 0.23 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 5req h MET 306 CO -0.21 0.95 -0.09 -0.07 1.06 0.00 0.00 176.91 178.55 5req h LEU 307 N 1.09 0.95 -0.51 1.22 3.38 -1.12 -1.61 115.31 118.72 5req h LEU 307 Ca 0.25 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 5req h LEU 307 Cb 0.26 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 5req h LEU 307 CO -0.01 1.06 0.20 -0.25 0.09 0.00 0.00 178.44 179.52 5req h TRP 308 N 0.86 0.79 0.37 1.13 -0.00 -1.37 -0.52 115.95 117.21 5req h TRP 308 Ca 0.14 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.89 58.96 5req h TRP 308 Cb 0.62 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.16 29.54 5req h TRP 308 CO 0.04 0.66 -0.27 0.00 -0.00 0.00 0.00 178.44 178.87 5req h ALA 309 N 1.05 -0.63 -0.52 2.65 0.00 -1.20 0.18 119.26 120.79 5req h ALA 309 Ca 0.17 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.03 5req h ALA 309 Cb 0.21 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 5req h ALA 309 CO -0.01 -0.87 -0.54 -0.22 0.00 0.00 0.00 179.25 177.61 5req h LYS 310 N -0.63 -0.30 -0.62 0.00 3.64 -1.08 0.57 116.57 118.15 5req h LYS 310 Ca -0.03 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 5req h LYS 310 Cb 0.54 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 5req h LYS 310 CO 0.01 -0.20 0.40 -0.07 -2.27 0.00 0.00 179.45 177.32 5req h LEU 311 N -0.31 0.67 -0.75 5.20 3.38 -1.02 -2.62 115.31 119.86 5req h LEU 311 Ca 0.11 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 5req h LEU 311 Cb 0.57 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 5req h LEU 311 CO -0.66 0.48 -0.40 0.58 0.09 0.00 0.00 178.44 178.53 5req h VAL 312 N 0.80 1.30 -1.00 1.22 2.07 -0.33 -3.05 116.25 117.26 5req h VAL 312 Ca 0.24 -1.55 0.21 0.00 0.82 0.00 0.00 66.70 66.42 5req h VAL 312 Cb -0.04 1.58 -0.11 0.00 -1.52 0.00 0.00 31.29 31.20 5req h VAL 312 CO -0.07 0.48 0.61 -0.74 0.02 0.00 0.00 177.57 177.87 5req h HIS 313 N 0.39 0.98 -1.08 1.57 6.17 -0.50 -2.58 115.15 120.11 5req h HIS 313 Ca 0.04 0.03 0.30 0.00 0.71 0.00 0.00 60.37 61.44 5req h HIS 313 Cb 0.87 -0.29 -0.06 0.00 2.52 0.00 0.00 27.41 30.45 5req h HIS 313 CO 0.03 0.17 0.74 1.96 0.71 0.00 0.00 177.93 181.54 5req h GLN 314 N 0.66 0.16 -0.00 5.26 4.20 -1.49 -0.49 115.11 123.40 5req h GLN 314 Ca 0.59 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.29 5req h GLN 314 Cb 1.07 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.81 5req h GLN 314 CO -0.38 0.10 -0.02 1.19 -0.67 0.00 0.00 178.83 179.06 5req n PHE 315 N -4.38 0.00 -3.21 2.96 3.72 -0.97 -4.98 117.46 110.60 5req n PHE 315 Ca 0.24 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.52 5req n PHE 315 Cb 1.05 -0.12 0.05 0.00 -0.94 0.00 0.00 39.48 39.52 5req n PHE 315 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 5req n GLY 316 N 1.14 -1.18 3.77 1.37 0.00 -0.19 -4.90 105.19 105.19 5req n GLY 316 Ca 0.19 0.56 -0.40 0.00 0.00 0.00 0.00 46.02 46.37 5req n GLY 316 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 5req s PRO 317 N -4.09 4.34 -0.07 1.61 0.04 -1.26 -4.94 135.00 130.64 5req s PRO 317 Ca 0.35 1.96 0.15 0.00 0.04 0.00 0.00 61.00 63.50 5req s PRO 317 Cb -0.05 -2.97 -0.22 0.00 0.04 0.00 0.00 34.50 31.30 5req s PRO 317 CO 0.74 -0.11 0.54 1.63 0.04 0.00 0.00 177.00 179.85 5req n LYS 318 N 0.67 0.64 -3.23 4.56 4.76 -1.26 -4.83 118.16 119.47 5req n LYS 318 Ca 0.01 0.21 -0.39 0.00 -2.87 0.00 0.00 58.31 55.27 5req n LYS 318 Cb 0.44 -1.73 -0.06 0.00 -1.84 0.00 0.00 35.03 31.84 5req n LYS 318 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 5req s ASN 319 N -5.88 6.63 0.47 4.39 3.84 -1.26 -4.98 114.94 118.15 5req s ASN 319 Ca -0.06 0.75 0.21 0.00 0.21 0.00 0.00 52.86 53.97 5req s ASN 319 Cb 0.08 -2.31 1.16 0.00 -0.55 0.00 0.00 41.25 39.63 5req s ASN 319 CO 0.83 -0.15 1.99 1.55 -2.79 0.00 0.00 177.10 178.52 5req h PRO 320 N 7.28 0.00 0.00 0.43 0.13 -2.02 -2.13 132.00 135.69 5req h PRO 320 Ca -0.35 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 5req h PRO 320 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 5req h PRO 320 CO 0.75 0.19 -0.04 0.87 -0.23 0.00 0.00 178.00 179.55 5req h LYS 321 N 0.00 0.00 -0.89 0.86 1.57 -1.96 -2.81 116.57 113.34 5req h LYS 321 Ca -0.00 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.90 5req h LYS 321 Cb 0.43 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.67 5req h LYS 321 CO 0.03 0.04 0.57 0.77 -0.57 0.00 0.00 179.45 180.29 5req h SER 322 N 0.00 0.73 0.35 0.86 0.02 -1.67 -2.57 113.55 111.28 5req h SER 322 Ca -0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 5req h SER 322 Cb 0.08 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.51 5req h SER 322 CO 0.01 0.40 -0.15 0.23 -1.14 0.00 0.00 176.83 176.17 5req n MET 323 N -4.55 0.69 -2.87 3.45 2.81 -1.06 -4.59 117.12 111.00 5req n MET 323 Ca 0.16 -0.28 -0.41 0.00 -1.81 0.00 0.00 57.70 55.36 5req n MET 323 Cb 0.38 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.36 5req n MET 323 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 5req s SER 324 N -2.51 7.19 -0.62 7.83 1.04 -0.97 -3.50 113.70 122.16 5req s SER 324 Ca 0.27 1.44 -0.23 0.00 0.48 0.00 0.00 55.95 57.90 5req s SER 324 Cb 0.20 -2.50 0.06 0.00 0.10 0.00 0.00 66.02 63.88 5req s SER 324 CO 0.49 -0.20 0.95 -0.22 0.98 0.00 0.00 173.24 175.25 5req s LEU 325 N 0.93 4.27 -0.27 2.42 0.20 -1.26 -4.99 118.68 119.98 5req s LEU 325 Ca 0.45 -0.75 -0.11 0.00 0.69 0.00 0.00 54.13 54.40 5req s LEU 325 Cb -0.19 -2.56 -0.05 0.00 -0.43 0.00 0.00 46.19 42.96 5req s LEU 325 CO 0.23 -1.36 0.21 -0.13 -0.29 0.00 0.00 176.35 175.01 5req s ARG 326 N 4.02 3.99 0.02 1.98 0.52 -1.26 -4.71 118.95 123.51 5req s ARG 326 Ca 0.25 -0.25 0.05 0.00 -0.52 0.00 0.00 55.73 55.26 5req s ARG 326 Cb -0.15 -3.63 -0.02 0.00 0.52 0.00 0.00 34.95 31.67 5req s ARG 326 CO 0.13 -0.13 -0.15 -0.08 0.02 0.00 0.00 175.30 175.10 5req s THR 327 N 1.61 1.19 0.24 0.02 -1.32 -1.26 -0.93 115.64 115.19 5req s THR 327 Ca 0.08 -0.86 -0.04 0.00 -1.21 0.00 0.00 61.69 59.66 5req s THR 327 Cb -0.15 -1.04 -0.05 0.00 -1.51 0.00 0.00 72.50 69.75 5req s THR 327 CO 0.09 0.16 0.49 -2.28 -2.21 0.00 0.00 174.62 170.87 5req s HIS 328 N -0.63 3.47 0.05 9.09 2.46 -0.18 0.17 115.29 129.72 5req s HIS 328 Ca 0.04 0.57 0.02 0.00 0.47 0.00 0.00 55.06 56.16 5req s HIS 328 Cb -0.07 -2.04 -0.03 0.00 -0.13 0.00 0.00 32.58 30.32 5req s HIS 328 CO 0.01 0.26 -0.07 -1.12 -2.47 0.00 0.00 174.74 171.35 5req s SER 329 N -3.02 0.85 -0.04 9.88 0.01 -0.70 -1.20 113.70 119.47 5req s SER 329 Ca 0.42 -0.58 0.01 0.00 1.31 0.00 0.00 55.95 57.12 5req s SER 329 Cb -0.11 0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.18 5req s SER 329 CO 0.28 -0.23 -0.06 -1.58 0.41 0.00 0.00 173.24 172.06 5req s GLN 330 N -1.75 0.97 0.53 12.44 0.74 -0.82 -1.37 119.66 130.41 5req s GLN 330 Ca -0.09 -0.18 -0.21 0.00 0.05 0.00 0.00 55.36 54.93 5req s GLN 330 Cb -0.09 -0.92 -0.06 0.00 1.10 0.00 0.00 33.01 33.04 5req s GLN 330 CO -0.00 -0.03 1.17 0.25 -0.55 0.00 0.00 175.29 176.12 5req n THR 331 N 3.87 3.46 -2.13 -0.34 -2.24 -1.02 -1.20 114.28 114.69 5req n THR 331 Ca -0.24 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.61 5req n THR 331 Cb 0.52 -1.41 -0.02 0.00 -2.10 0.00 0.00 70.33 67.31 5req n THR 331 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 5req s SER 332 N -0.96 6.33 0.13 3.42 0.15 0.33 -4.71 113.70 118.39 5req s SER 332 Ca 0.71 1.51 -0.17 0.00 0.70 0.00 0.00 55.95 58.69 5req s SER 332 Cb -0.45 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.30 5req s SER 332 CO 0.50 -1.32 1.70 1.23 1.20 0.00 0.00 173.24 176.56 5req h GLY 333 N 11.94 0.51 0.15 9.45 0.00 -1.91 -3.10 103.07 120.11 5req h GLY 333 Ca -0.33 -0.25 0.18 0.00 0.00 0.00 0.00 47.33 46.93 5req h GLY 333 CO 1.01 0.24 0.60 -0.25 0.00 0.00 0.00 176.54 178.14 5req h TRP 334 N 0.40 1.06 0.00 5.60 7.01 -1.91 -2.72 115.95 125.39 5req h TRP 334 Ca 0.11 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.15 5req h TRP 334 Cb 0.12 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 26.86 5req h TRP 334 CO -0.02 0.24 -0.00 0.66 -2.79 0.00 0.00 178.44 176.54 5req h SER 335 N 0.77 0.00 -3.44 2.65 4.64 -1.95 -3.43 113.55 112.78 5req h SER 335 Ca 0.57 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.35 5req h SER 335 Cb 0.86 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.92 5req h SER 335 CO -0.38 0.00 0.08 -0.76 -0.87 0.00 0.00 176.83 174.90 5req s LEU 336 N -6.16 4.48 0.29 5.97 1.43 -1.03 -5.04 118.68 118.63 5req s LEU 336 Ca -0.03 1.42 0.07 0.00 -1.03 0.00 0.00 54.13 54.56 5req s LEU 336 Cb 0.12 -3.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.04 5req s LEU 336 CO 0.44 0.16 0.29 0.42 0.23 0.00 0.00 176.35 177.90 5req s THR 337 N -1.28 4.15 -0.86 5.49 -4.23 -1.26 -4.69 115.64 112.96 5req s THR 337 Ca 0.36 -1.28 0.23 0.00 -1.18 0.00 0.00 61.69 59.83 5req s THR 337 Cb -0.19 -3.38 -0.08 0.00 1.34 0.00 0.00 72.50 70.19 5req s THR 337 CO 0.22 -0.25 1.18 0.00 -0.54 0.00 0.00 174.62 175.22 5req n ALA 338 N -1.35 3.73 -2.65 3.99 0.00 -1.26 -4.56 120.51 118.41 5req n ALA 338 Ca -0.05 -0.42 -0.34 0.00 0.00 0.00 0.00 53.44 52.64 5req n ALA 338 Cb 0.58 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.92 5req n ALA 338 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 5req s GLN 339 N -3.07 2.89 -0.96 0.00 1.11 -1.26 -4.69 119.66 113.68 5req s GLN 339 Ca 0.08 -0.55 -0.11 0.00 0.01 0.00 0.00 55.36 54.79 5req s GLN 339 Cb 0.16 -2.63 -0.00 0.00 -1.01 0.00 0.00 33.01 29.53 5req s GLN 339 CO 0.77 0.59 0.71 -3.47 0.01 0.00 0.00 175.29 173.90 5req n ASP 340 N 2.44 -5.64 0.16 5.90 2.03 -1.26 -4.84 116.55 115.34 5req n ASP 340 Ca -0.18 -0.82 0.13 0.00 0.52 0.00 0.00 54.79 54.44 5req n ASP 340 Cb 0.53 -3.14 0.54 0.00 -0.72 0.00 0.00 41.12 38.33 5req n ASP 340 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 5req h VAL 341 N -0.95 0.00 -0.00 5.18 -1.51 -1.83 -2.94 116.25 114.20 5req h VAL 341 Ca -0.52 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 5req h VAL 341 Cb 1.30 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.48 5req h VAL 341 CO 0.41 0.00 -0.09 -1.22 -1.23 0.00 0.00 177.57 175.44 5req n TYR 342 N -2.38 0.00 0.26 5.19 4.02 -1.26 -2.34 117.16 120.65 5req n TYR 342 Ca 0.02 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.01 5req n TYR 342 Cb 0.23 -0.37 0.70 0.00 -0.02 0.00 0.00 39.34 39.87 5req n TYR 342 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 5req h ASN 343 N 0.09 0.00 -0.37 7.72 2.35 -1.88 -2.48 115.58 121.01 5req h ASN 343 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 5req h ASN 343 Cb 0.44 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 5req h ASN 343 CO 0.00 0.09 0.18 0.78 -1.65 0.00 0.00 177.43 176.83 5req h ASN 344 N 0.00 0.52 -0.21 5.81 2.35 -1.68 -1.15 115.58 121.22 5req h ASN 344 Ca -0.00 -0.05 0.05 0.00 -0.55 0.00 0.00 56.30 55.75 5req h ASN 344 Cb 0.19 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.39 5req h ASN 344 CO 0.01 0.46 -0.08 0.58 -1.65 0.00 0.00 177.43 176.74 5req h VAL 345 N 0.58 0.72 -0.21 2.81 2.07 -1.62 0.31 116.25 120.91 5req h VAL 345 Ca 0.15 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 5req h VAL 345 Cb 0.09 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 5req h VAL 345 CO -0.02 0.00 0.07 0.58 0.02 0.00 0.00 177.57 178.22 5req h VAL 346 N -0.05 1.18 -0.30 2.57 2.07 -1.63 -1.22 116.25 118.87 5req h VAL 346 Ca 0.11 -0.56 0.06 0.00 0.82 0.00 0.00 66.70 67.13 5req h VAL 346 Cb 0.21 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 5req h VAL 346 CO -0.24 0.18 -0.11 0.03 0.02 0.00 0.00 177.57 177.45 5req h ARG 347 N 0.16 -0.05 -0.18 1.57 3.08 -0.96 -1.86 114.38 116.14 5req h ARG 347 Ca 0.07 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 5req h ARG 347 Cb 0.21 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 5req h ARG 347 CO -0.00 -0.03 -0.37 1.15 -1.07 0.00 0.00 179.97 179.64 5req h THR 348 N -0.05 1.30 -0.45 2.04 2.02 -0.33 -2.70 112.91 114.74 5req h THR 348 Ca 0.15 -1.48 0.01 0.00 0.77 0.00 0.00 66.41 65.86 5req h THR 348 Cb 0.28 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 5req h THR 348 CO -0.34 0.46 0.28 0.00 0.37 0.00 0.00 175.52 176.29 5req h ILE 350 N 0.57 1.27 -0.13 0.00 1.08 -1.23 -1.87 117.51 117.20 5req h ILE 350 Ca 0.17 -1.41 -0.10 0.00 -0.39 0.00 0.00 64.86 63.14 5req h ILE 350 Cb -0.03 1.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.98 5req h ILE 350 CO -0.06 0.47 -0.35 -0.33 -0.69 0.00 0.00 178.15 177.19 5req h GLU 351 N 0.68 0.27 -0.35 2.37 5.08 -1.46 -1.70 114.58 119.48 5req h GLU 351 Ca 0.08 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 5req h GLU 351 Cb 0.80 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 5req h GLU 351 CO 0.07 0.59 -0.31 0.00 -1.00 0.00 0.00 179.01 178.35 5req h ALA 352 N 1.41 0.79 -0.21 3.43 0.00 -0.98 -1.66 119.26 122.04 5req h ALA 352 Ca 0.03 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.54 5req h ALA 352 Cb 0.73 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 5req h ALA 352 CO 0.06 0.65 0.09 0.52 0.00 0.00 0.00 179.25 180.57 5req h MET 353 N 0.64 0.20 -0.65 0.00 2.86 -1.11 -2.30 114.93 114.58 5req h MET 353 Ca 0.07 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 5req h MET 353 Cb 0.84 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 5req h MET 353 CO 0.07 0.13 0.32 0.00 1.06 0.00 0.00 176.91 178.49 5req h ALA 354 N 1.11 0.84 -0.19 6.32 0.00 -1.09 -0.54 119.26 125.70 5req h ALA 354 Ca 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 5req h ALA 354 Cb 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 5req h ALA 354 CO -0.07 0.40 0.09 0.00 0.00 0.00 0.00 179.25 179.67 5req h ALA 355 N 1.14 0.24 0.00 0.00 0.00 -1.24 -1.79 119.26 117.62 5req h ALA 355 Ca 0.22 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 5req h ALA 355 Cb 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 5req h ALA 355 CO -0.03 -0.20 -0.76 1.79 0.00 0.00 0.00 179.25 180.05 5req h THR 356 N 0.18 1.47 0.00 0.00 1.35 -1.40 -0.05 112.91 114.46 5req h THR 356 Ca 0.07 -2.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.24 5req h THR 356 Cb 0.11 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 5req h THR 356 CO -0.01 0.75 -0.13 0.00 -0.25 0.00 0.00 175.52 175.88 5req n GLN 357 N -3.51 0.08 0.00 4.72 6.02 -0.22 -1.35 117.38 123.12 5req n GLN 357 Ca -0.00 0.05 0.13 0.00 -0.01 0.00 0.00 57.00 57.17 5req n GLN 357 Cb 0.77 -1.58 0.47 0.00 1.02 0.00 0.00 30.24 30.91 5req n GLN 357 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 5req n GLY 358 N 1.45 -0.93 2.48 1.08 0.00 -0.67 -4.67 105.19 103.92 5req n GLY 358 Ca 0.06 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 5req n GLY 358 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 5req n HIS 359 N -1.00 -1.36 -1.66 1.61 8.25 -0.46 -4.52 115.22 116.08 5req n HIS 359 Ca 0.11 0.55 -0.34 0.00 -0.26 0.00 0.00 57.72 57.78 5req n HIS 359 Cb 0.32 -3.74 0.06 0.00 1.12 0.00 0.00 29.99 27.76 5req n HIS 359 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 5req s THR 360 N -3.22 2.70 -0.12 1.59 -1.32 -0.10 -4.90 115.64 110.27 5req s THR 360 Ca 0.08 0.35 0.17 0.00 -1.21 0.00 0.00 61.69 61.09 5req s THR 360 Cb -0.01 -2.93 -0.17 0.00 -1.51 0.00 0.00 72.50 67.88 5req s THR 360 CO 0.44 -0.17 0.72 0.00 -2.21 0.00 0.00 174.62 173.39 5req n GLN 361 N -2.39 0.63 -3.85 7.08 3.00 0.13 -4.70 117.38 117.29 5req n GLN 361 Ca 0.12 0.19 -0.09 0.00 -0.01 0.00 0.00 57.00 57.21 5req n GLN 361 Cb 0.51 -1.76 -0.07 0.00 0.00 0.00 0.00 30.24 28.91 5req n GLN 361 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 5req s SER 362 N -5.72 0.06 -0.10 1.08 1.04 -1.00 -1.64 113.70 107.42 5req s SER 362 Ca -0.04 -0.65 -0.11 0.00 0.48 0.00 0.00 55.95 55.64 5req s SER 362 Cb 0.09 0.37 0.03 0.00 0.10 0.00 0.00 66.02 66.61 5req s SER 362 CO 0.82 -0.77 0.30 -0.22 0.98 0.00 0.00 173.24 174.35 5req s LEU 363 N -2.87 0.87 -0.11 2.42 2.96 -0.63 -1.72 118.68 119.61 5req s LEU 363 Ca 0.07 0.53 0.01 0.00 -0.22 0.00 0.00 54.13 54.51 5req s LEU 363 Cb 0.04 1.05 -0.02 0.00 0.50 0.00 0.00 46.19 47.76 5req s LEU 363 CO -0.09 -0.15 -0.12 -2.28 -1.32 0.00 0.00 176.35 172.38 5req s HIS 364 N -0.05 2.81 -0.21 5.38 5.65 -0.47 -0.79 115.29 127.61 5req s HIS 364 Ca -0.02 -0.43 -0.03 0.00 0.25 0.00 0.00 55.06 54.83 5req s HIS 364 Cb -0.03 -1.78 -0.00 0.00 -1.18 0.00 0.00 32.58 29.59 5req s HIS 364 CO 0.01 -0.05 -0.08 0.95 -0.65 0.00 0.00 174.74 174.92 5req s THR 365 N -0.03 3.08 1.04 0.89 -4.23 -1.26 -2.42 115.64 112.71 5req s THR 365 Ca -0.03 -0.59 -0.12 0.00 -1.18 0.00 0.00 61.69 59.77 5req s THR 365 Cb -0.14 -2.38 0.21 0.00 1.34 0.00 0.00 72.50 71.53 5req s THR 365 CO 0.04 0.45 1.07 0.20 -0.54 0.00 0.00 174.62 175.84 5req s ASN 366 N 1.36 2.05 0.26 3.99 0.01 -1.26 -4.80 114.94 116.55 5req s ASN 366 Ca 0.04 1.64 0.08 0.00 -0.71 0.00 0.00 52.86 53.91 5req s ASN 366 Cb -0.14 -2.30 -0.04 0.00 0.41 0.00 0.00 41.25 39.18 5req s ASN 366 CO -0.05 -3.55 0.11 -0.44 -1.51 0.00 0.00 177.10 171.66 5req s SER 367 N -2.82 5.07 0.59 -1.22 0.01 -1.26 -4.55 113.70 109.52 5req s SER 367 Ca 0.67 -0.44 0.33 0.00 1.31 0.00 0.00 55.95 57.82 5req s SER 367 Cb -0.22 -1.14 1.86 0.00 0.21 0.00 0.00 66.02 66.73 5req s SER 367 CO 0.61 -0.03 2.23 0.17 0.41 0.00 0.00 173.24 176.63 5req h LEU 368 N 1.67 0.00 -2.79 2.44 8.10 -1.88 -2.12 115.31 120.73 5req h LEU 368 Ca -0.46 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.49 5req h LEU 368 Cb 1.24 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.44 5req h LEU 368 CO 0.61 0.03 0.05 -0.90 -4.11 0.00 0.00 178.44 174.12 5req n ASP 369 N -3.59 4.11 -0.29 0.17 5.68 -1.26 -4.66 116.55 116.71 5req n ASP 369 Ca -0.03 -2.68 0.10 0.00 -0.50 0.00 0.00 54.79 51.68 5req n ASP 369 Cb 0.12 -0.64 0.26 0.00 -1.14 0.00 0.00 41.12 39.72 5req n ASP 369 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 5req h GLU 370 N 2.45 0.43 -0.00 0.11 4.57 -1.55 -0.56 114.58 120.04 5req h GLU 370 Ca 0.05 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 5req h GLU 370 Cb 1.59 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 30.08 5req h GLU 370 CO 0.38 0.29 -0.06 0.00 -1.18 0.00 0.00 179.01 178.43 5req n ALA 371 N -2.50 2.69 -0.05 2.92 0.00 -1.26 -4.27 120.51 118.04 5req n ALA 371 Ca 0.19 -0.26 -0.09 0.00 0.00 0.00 0.00 53.44 53.28 5req n ALA 371 Cb 0.55 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 5req n ALA 371 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 5req n ILE 372 N -0.89 0.52 -3.83 0.00 5.41 -0.64 -4.78 119.36 115.14 5req n ILE 372 Ca 0.17 -0.15 -0.06 0.00 1.00 0.00 0.00 62.75 63.71 5req n ILE 372 Cb 0.25 -1.45 0.01 0.00 -0.71 0.00 0.00 39.64 37.74 5req n ILE 372 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 5req s ALA 373 N -2.17 -1.27 0.56 -1.39 0.00 -0.31 -4.56 121.76 112.61 5req s ALA 373 Ca -0.13 -0.39 -0.21 0.00 0.00 0.00 0.00 51.96 51.24 5req s ALA 373 Cb 0.05 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 5req s ALA 373 CO 0.18 -1.03 1.30 -0.51 0.00 0.00 0.00 175.76 175.69 5req s LEU 374 N -3.14 3.80 0.53 0.00 1.43 -1.26 -4.19 118.68 115.85 5req s LEU 374 Ca 0.16 2.63 -0.22 0.00 -1.03 0.00 0.00 54.13 55.67 5req s LEU 374 Cb -0.04 -4.37 -0.06 0.00 0.03 0.00 0.00 46.19 41.76 5req s LEU 374 CO 0.07 -1.55 1.31 -2.65 0.23 0.00 0.00 176.35 173.76 5req n PRO 375 N -1.17 1.67 -2.50 1.29 -0.02 -1.26 -3.96 135.00 129.06 5req n PRO 375 Ca 0.11 0.61 -0.24 0.00 -2.02 0.00 0.00 63.50 61.96 5req n PRO 375 Cb 0.47 -2.51 0.11 0.00 -0.02 0.00 0.00 33.50 31.55 5req n PRO 375 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 5req s THR 376 N -1.29 2.14 0.13 3.45 -4.23 -1.26 -4.82 115.64 109.76 5req s THR 376 Ca 0.70 -0.51 -0.16 0.00 -1.18 0.00 0.00 61.69 60.53 5req s THR 376 Cb -0.43 -2.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.76 5req s THR 376 CO 0.50 0.00 1.68 0.44 -0.54 0.00 0.00 174.62 176.70 5req h ASP 377 N -0.64 0.52 0.63 3.99 3.32 -1.98 -0.56 116.42 121.69 5req h ASP 377 Ca -0.38 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.48 5req h ASP 377 Cb 1.27 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.69 5req h ASP 377 CO 0.41 0.54 -0.30 0.15 -1.72 0.00 0.00 179.24 178.32 5req h PHE 378 N 0.46 -0.78 -0.85 4.55 3.57 -2.00 -2.45 116.94 119.44 5req h PHE 378 Ca 0.13 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 5req h PHE 378 Cb 0.19 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 5req h PHE 378 CO -0.00 -0.48 0.46 0.66 -2.23 0.00 0.00 178.31 176.72 5req h SER 379 N -0.86 1.07 -0.04 0.41 4.64 -1.89 -2.74 113.55 114.14 5req h SER 379 Ca -0.09 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.10 5req h SER 379 Cb 0.65 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 5req h SER 379 CO 0.14 0.87 -0.04 0.00 -0.87 0.00 0.00 176.83 176.93 5req h ALA 380 N 1.25 1.68 -0.06 5.18 0.00 -1.15 -1.97 119.26 124.18 5req h ALA 380 Ca 0.30 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 5req h ALA 380 Cb 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 5req h ALA 380 CO -0.05 0.24 -0.68 -0.09 0.00 0.00 0.00 179.25 178.67 5req h ARG 381 N 0.20 0.29 -0.23 0.00 2.43 -1.15 -1.35 114.38 114.58 5req h ARG 381 Ca 0.05 -0.23 -0.08 0.00 -0.81 0.00 0.00 59.98 58.91 5req h ARG 381 Cb 0.21 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 5req h ARG 381 CO 0.01 0.87 -0.16 0.82 -1.51 0.00 0.00 179.97 180.00 5req h ILE 382 N 0.20 1.31 -0.34 1.20 2.04 -1.31 -0.56 117.51 120.06 5req h ILE 382 Ca -0.02 -1.27 0.07 0.00 1.00 0.00 0.00 64.86 64.64 5req h ILE 382 Cb 1.23 1.64 -0.07 0.00 -0.74 0.00 0.00 36.82 38.88 5req h ILE 382 CO 0.11 0.39 -0.11 0.00 0.00 0.00 0.00 178.15 178.54 5req h ALA 383 N 0.69 0.19 -0.47 1.87 0.00 -1.30 -0.59 119.26 119.65 5req h ALA 383 Ca 0.05 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 5req h ALA 383 Cb 0.68 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 5req h ALA 383 CO 0.04 -0.49 -0.21 -0.09 0.00 0.00 0.00 179.25 178.50 5req h ARG 384 N -0.04 0.98 -0.02 0.00 2.43 -1.19 -3.16 114.38 113.39 5req h ARG 384 Ca 0.17 -0.42 -0.07 0.00 -0.81 0.00 0.00 59.98 58.85 5req h ARG 384 Cb 0.30 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 5req h ARG 384 CO -0.38 1.10 -0.30 -0.91 -1.51 0.00 0.00 179.97 177.97 5req h ASN 385 N 0.83 0.03 -0.32 -3.80 -0.26 -0.89 -2.10 115.58 109.08 5req h ASN 385 Ca 0.11 -0.01 0.07 0.00 -0.56 0.00 0.00 56.30 55.91 5req h ASN 385 Cb 0.79 -0.01 -0.08 0.00 -1.06 0.00 0.00 38.32 37.96 5req h ASN 385 CO 0.07 0.33 -0.32 0.74 -1.06 0.00 0.00 177.43 177.18 5req h THR 386 N 0.02 0.25 -0.34 2.81 2.02 -1.07 0.14 112.91 116.75 5req h THR 386 Ca 0.00 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 5req h THR 386 Cb 0.54 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 5req h THR 386 CO 0.04 0.00 -0.29 1.56 0.37 0.00 0.00 175.52 177.20 5req h GLN 387 N -0.29 0.71 -0.34 6.66 4.20 -1.58 -2.42 115.11 122.05 5req h GLN 387 Ca 0.15 -0.31 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 5req h GLN 387 Cb 0.54 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 5req h GLN 387 CO -0.48 0.92 0.10 -0.07 -0.67 0.00 0.00 178.83 178.62 5req h LEU 388 N 0.61 0.50 -0.46 1.46 3.38 -1.03 -1.40 115.31 118.36 5req h LEU 388 Ca 0.07 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 57.92 5req h LEU 388 Cb 0.80 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.33 5req h LEU 388 CO 0.07 0.58 -0.10 0.15 0.09 0.00 0.00 178.44 179.22 5req h PHE 389 N 0.39 -0.22 -0.74 1.13 3.57 -0.74 0.28 116.94 120.61 5req h PHE 389 Ca 0.11 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 5req h PHE 389 Cb 0.26 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 5req h PHE 389 CO 0.01 -0.19 0.35 -0.07 -2.23 0.00 0.00 178.31 176.18 5req h LEU 390 N 0.01 0.98 -0.37 0.59 3.38 -1.24 0.10 115.31 118.76 5req h LEU 390 Ca 0.22 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 5req h LEU 390 Cb 0.34 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 5req h LEU 390 CO -0.47 0.84 0.03 1.56 0.09 0.00 0.00 178.44 180.49 5req h GLN 391 N 1.04 0.64 0.11 1.13 4.20 -0.73 -3.27 115.11 118.23 5req h GLN 391 Ca 0.25 -0.19 -0.32 0.00 0.06 0.00 0.00 58.65 58.46 5req h GLN 391 Cb 0.13 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 5req h GLN 391 CO -0.03 0.72 -1.67 1.96 -0.67 0.00 0.00 178.83 179.14 5req h GLN 392 N 0.46 0.24 0.00 1.46 4.20 -0.11 -3.44 115.11 117.93 5req h GLN 392 Ca 0.11 -0.41 -0.08 0.00 0.06 0.00 0.00 58.65 58.32 5req h GLN 392 Cb 0.42 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 5req h GLN 392 CO 0.01 1.20 -1.59 0.39 -0.67 0.00 0.00 178.83 178.17 5req n GLU 393 N -3.77 1.20 0.05 1.46 1.02 0.33 -4.78 120.64 116.14 5req n GLU 393 Ca -0.29 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.80 5req n GLU 393 Cb 0.95 -1.26 0.32 0.00 -0.02 0.00 0.00 31.44 31.43 5req n GLU 393 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 5req h SER 394 N 0.00 0.38 0.00 1.62 4.64 -1.55 -3.47 113.55 115.17 5req h SER 394 Ca -0.12 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 5req h SER 394 Cb 1.00 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 5req h SER 394 CO 0.01 0.51 0.00 0.61 -0.87 0.00 0.00 176.83 177.09 5req n GLY 395 N -0.82 0.50 0.77 -0.77 0.00 -1.26 -4.94 105.19 98.68 5req n GLY 395 Ca 0.00 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 45.77 5req n GLY 395 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 5req n THR 396 N -2.92 0.27 0.01 2.61 -2.24 -1.26 -3.84 114.28 106.91 5req n THR 396 Ca 0.00 -0.48 0.06 0.00 -2.27 0.00 0.00 64.05 61.36 5req n THR 396 Cb 0.00 0.67 -0.11 0.00 -2.10 0.00 0.00 70.33 68.78 5req n THR 396 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 5req n THR 397 N 0.77 0.54 -0.10 4.28 -2.24 -1.26 -4.54 114.28 111.74 5req n THR 397 Ca 0.17 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 5req n THR 397 Cb 0.44 -0.27 0.29 0.00 -2.10 0.00 0.00 70.33 68.69 5req n THR 397 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 5req h ARG 398 N 0.00 0.74 -5.56 -0.78 0.11 -1.85 -2.45 114.38 104.59 5req h ARG 398 Ca -0.11 -0.09 -0.65 0.00 0.10 0.00 0.00 59.98 59.23 5req h ARG 398 Cb 1.27 -0.14 -0.17 0.00 1.11 0.00 0.00 29.97 32.04 5req h ARG 398 CO 0.01 0.59 -0.61 0.08 0.10 0.00 0.00 179.97 180.14 5req s VAL 399 N -5.41 4.38 -0.25 0.08 1.01 -1.26 -4.48 120.40 114.47 5req s VAL 399 Ca -0.09 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 5req s VAL 399 Cb 0.17 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 5req s VAL 399 CO 0.77 0.53 1.69 -0.63 0.00 0.00 0.00 175.10 177.46 5req s ILE 400 N -0.15 3.60 -0.51 2.22 1.01 -1.26 -3.79 121.20 122.32 5req s ILE 400 Ca 0.05 0.66 -0.22 0.00 0.00 0.00 0.00 60.65 61.14 5req s ILE 400 Cb -0.12 -3.67 0.03 0.00 0.01 0.00 0.00 42.46 38.71 5req s ILE 400 CO 0.02 -0.33 0.64 -0.67 0.00 0.00 0.00 174.94 174.60 5req n ASP 401 N 9.04 -6.74 -0.11 3.58 2.03 -1.26 -4.87 116.55 118.21 5req n ASP 401 Ca 0.20 0.08 0.05 0.00 0.52 0.00 0.00 54.79 55.64 5req n ASP 401 Cb 0.46 -3.66 0.38 0.00 -0.72 0.00 0.00 41.12 37.58 5req n ASP 401 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 5req h PRO 402 N 1.66 0.67 0.00 -0.67 0.13 -1.83 -1.97 132.00 129.99 5req h PRO 402 Ca -0.27 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 5req h PRO 402 Cb 1.19 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.17 5req h PRO 402 CO 0.24 0.44 0.00 0.91 -0.23 0.00 0.00 178.00 179.36 5req n TRP 403 N -4.47 0.35 -1.25 1.56 7.02 -1.26 -4.90 117.44 114.49 5req n TRP 403 Ca 0.08 0.11 -0.52 0.00 -1.02 0.00 0.00 57.50 56.14 5req n TRP 403 Cb 0.16 -0.68 -0.09 0.00 -2.42 0.00 0.00 31.31 28.28 5req n TRP 403 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 5req n SER 404 N -1.80 0.83 0.00 -0.99 2.88 -0.74 -0.01 113.62 113.79 5req n SER 404 Ca 0.05 0.79 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 5req n SER 404 Cb 0.33 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 5req n SER 404 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 5req n GLY 405 N 4.40 2.91 3.55 0.46 0.00 -1.26 -5.03 105.19 110.22 5req n GLY 405 Ca 0.33 -0.20 -0.53 0.00 0.00 0.00 0.00 46.02 45.62 5req n GLY 405 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 5req n SER 406 N 0.21 0.88 -0.09 1.61 2.88 0.98 -4.83 113.62 115.25 5req n SER 406 Ca 0.00 1.14 -0.12 0.00 -1.33 0.00 0.00 58.87 58.55 5req n SER 406 Cb 0.00 -1.10 -0.04 0.00 -0.75 0.00 0.00 64.21 62.32 5req n SER 406 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 5req h ALA 407 N 3.58 0.39 0.13 -1.46 0.00 -1.89 0.59 119.26 120.60 5req h ALA 407 Ca -0.47 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.12 5req h ALA 407 Cb 1.37 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 5req h ALA 407 CO 0.71 0.29 -0.16 -0.92 0.00 0.00 0.00 179.25 179.17 5req h TYR 408 N 0.33 -0.41 -0.57 0.00 3.20 -1.89 -0.79 116.97 116.83 5req h TYR 408 Ca 0.06 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 5req h TYR 408 Cb 0.68 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 5req h TYR 408 CO 0.06 -0.24 0.13 0.28 -1.64 0.00 0.00 178.16 176.76 5req h VAL 409 N -0.33 1.25 -0.63 1.81 2.07 -1.91 -1.75 116.25 116.76 5req h VAL 409 Ca 0.01 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.59 5req h VAL 409 Cb 0.33 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 5req h VAL 409 CO -0.06 0.33 0.23 -0.33 0.02 0.00 0.00 177.57 177.76 5req h GLU 410 N 0.83 0.96 -0.02 1.57 4.39 -0.94 -1.99 114.58 119.37 5req h GLU 410 Ca 0.18 -0.19 0.02 0.00 0.34 0.00 0.00 59.36 59.71 5req h GLU 410 Cb 0.36 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 5req h GLU 410 CO 0.00 0.82 -0.11 1.49 -1.16 0.00 0.00 179.01 180.06 5req h GLU 411 N 0.89 -0.17 -0.96 2.33 4.57 -0.51 -2.47 114.58 118.26 5req h GLU 411 Ca 0.21 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.45 5req h GLU 411 Cb 0.24 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.81 5req h GLU 411 CO -0.01 -0.11 0.62 -0.07 -1.18 0.00 0.00 179.01 178.25 5req h LEU 412 N -0.18 1.00 -0.41 1.64 3.38 -1.32 0.77 115.31 120.18 5req h LEU 412 Ca 0.05 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.08 5req h LEU 412 Cb 0.24 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 5req h LEU 412 CO -0.13 0.66 0.13 0.74 0.09 0.00 0.00 178.44 179.93 5req h THR 413 N 1.15 0.85 -0.16 0.22 2.02 -1.26 0.26 112.91 115.98 5req h THR 413 Ca 0.40 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.45 5req h THR 413 Cb 0.10 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 5req h THR 413 CO -0.15 0.05 -0.03 -0.25 0.37 0.00 0.00 175.52 175.51 5req h TRP 414 N 0.28 0.35 -0.27 3.16 -0.00 -0.88 -0.64 115.95 117.95 5req h TRP 414 Ca 0.20 -0.07 0.03 0.00 -0.00 0.00 0.00 58.89 59.04 5req h TRP 414 Cb 0.20 -0.09 -0.03 0.00 -0.00 0.00 0.00 29.16 29.24 5req h TRP 414 CO -0.16 0.57 0.09 -0.44 -0.00 0.00 0.00 178.44 178.49 5req h ASP 415 N 0.02 0.09 -0.13 2.65 3.32 -0.73 -0.70 116.42 120.94 5req h ASP 415 Ca 0.04 0.03 -0.20 0.00 0.02 0.00 0.00 57.03 56.92 5req h ASP 415 Cb 0.45 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.03 5req h ASP 415 CO 0.01 0.09 -0.68 -0.07 -1.72 0.00 0.00 179.24 176.87 5req h LEU 416 N 0.21 0.88 -0.60 1.55 3.38 -0.52 -1.53 115.31 118.67 5req h LEU 416 Ca 0.12 -0.54 0.01 0.00 0.09 0.00 0.00 57.88 57.56 5req h LEU 416 Cb 0.09 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 5req h LEU 416 CO -0.13 1.32 0.40 0.00 0.09 0.00 0.00 178.44 180.12 5req h ALA 417 N 0.67 0.77 -0.10 1.53 0.00 -0.97 0.11 119.26 121.26 5req h ALA 417 Ca -0.02 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 5req h ALA 417 Cb 1.30 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.86 5req h ALA 417 CO 0.14 0.19 -0.83 0.00 0.00 0.00 0.00 179.25 178.75 5req h ARG 418 N 0.81 0.75 -0.33 0.00 3.08 -1.12 -1.56 114.38 116.01 5req h ARG 418 Ca 0.22 -0.66 -0.01 0.00 0.07 0.00 0.00 59.98 59.60 5req h ARG 418 Cb -0.08 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 5req h ARG 418 CO -0.06 1.26 0.16 0.87 -1.07 0.00 0.00 179.97 181.14 5req h LYS 419 N 0.46 0.47 -0.28 0.04 1.57 -1.17 -1.77 116.57 115.88 5req h LYS 419 Ca -0.07 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.53 5req h LYS 419 Cb 1.47 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 5req h LYS 419 CO 0.17 0.43 -0.30 0.00 -0.57 0.00 0.00 179.45 179.18 5req h ALA 420 N 1.01 0.96 -0.55 3.86 0.00 -0.84 -2.97 119.26 120.74 5req h ALA 420 Ca 0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 5req h ALA 420 Cb 0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 5req h ALA 420 CO -0.01 0.61 0.30 2.35 0.00 0.00 0.00 179.25 182.49 5req h TRP 421 N 0.50 0.75 -0.25 0.00 2.91 -1.14 -2.17 115.95 116.55 5req h TRP 421 Ca 0.06 -0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.08 5req h TRP 421 Cb 0.76 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 29.15 5req h TRP 421 CO 0.03 0.55 0.12 0.78 -1.03 0.00 0.00 178.44 178.89 5req h GLY 422 N 0.74 0.33 0.79 2.65 0.00 -1.21 -1.65 103.07 104.72 5req h GLY 422 Ca 0.19 -0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.49 5req h GLY 422 CO -0.03 0.07 0.59 0.45 0.00 0.00 0.00 176.54 177.62 5req h HIS 423 N 0.26 1.10 -0.49 5.60 3.86 -1.47 -1.80 115.15 122.21 5req h HIS 423 Ca 0.10 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 5req h HIS 423 Cb 0.04 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.12 5req h HIS 423 CO -0.10 0.59 0.25 0.82 0.86 0.00 0.00 177.93 180.35 5req h ILE 424 N 1.10 1.18 0.30 2.45 2.04 -1.06 -0.72 117.51 122.80 5req h ILE 424 Ca 0.39 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.76 5req h ILE 424 Cb 0.10 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 5req h ILE 424 CO -0.15 0.20 -0.46 1.56 0.00 0.00 0.00 178.15 179.29 5req h GLN 425 N 0.65 -0.79 -0.11 2.37 4.20 -0.80 -0.08 115.11 120.56 5req h GLN 425 Ca 0.17 0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.98 5req h GLN 425 Cb 0.09 0.18 -0.06 0.00 0.30 0.00 0.00 27.48 27.98 5req h GLN 425 CO -0.02 -0.53 -0.42 0.93 -0.67 0.00 0.00 178.83 178.12 5req h GLU 426 N -0.82 -0.49 -0.64 1.46 5.08 -1.27 -0.72 114.58 117.18 5req h GLU 426 Ca -0.02 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.51 5req h GLU 426 Cb 0.77 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 30.03 5req h GLU 426 CO -0.16 -0.32 0.08 0.28 -1.00 0.00 0.00 179.01 177.89 5req h VAL 427 N -0.50 0.54 -0.24 3.13 2.07 -1.00 -1.86 116.25 118.38 5req h VAL 427 Ca 0.07 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 5req h VAL 427 Cb 0.63 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 5req h VAL 427 CO -0.38 0.04 -0.09 -0.08 0.02 0.00 0.00 177.57 177.07 5req h GLU 428 N 0.19 0.38 -0.67 1.57 4.81 -0.55 -0.69 114.58 119.63 5req h GLU 428 Ca 0.35 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 5req h GLU 428 Cb 0.56 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 5req h GLU 428 CO -0.49 0.49 0.24 0.87 -0.73 0.00 0.00 179.01 179.39 5req h LYS 429 N 0.36 0.99 -0.71 1.92 6.56 -0.31 -3.11 116.57 122.28 5req h LYS 429 Ca 0.07 -0.18 0.00 0.00 -1.06 0.00 0.00 60.65 59.49 5req h LYS 429 Cb 0.39 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.89 5req h LYS 429 CO 0.02 0.83 0.00 1.55 -2.06 0.00 0.00 179.45 179.79 5req n VAL 430 N -4.29 1.41 -0.16 0.50 3.14 -1.03 -4.89 118.33 113.02 5req n VAL 430 Ca 0.06 -0.76 0.00 0.00 -2.96 0.00 0.00 64.34 60.68 5req n VAL 430 Cb 0.19 -0.27 0.00 0.00 -1.06 0.00 0.00 33.84 32.70 5req n VAL 430 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 5req n GLY 431 N 0.48 0.71 0.00 7.55 0.00 -1.17 -4.66 105.19 108.09 5req n GLY 431 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 5req n GLY 431 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5req n GLY 432 N -2.06 0.88 0.24 -0.02 0.00 -0.28 -4.58 105.19 99.37 5req n GLY 432 Ca 0.00 -2.04 -0.08 0.00 0.00 0.00 0.00 46.02 43.90 5req n GLY 432 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 5req h MET 433 N 0.00 0.63 -0.42 1.61 2.86 -1.83 -1.19 114.93 116.59 5req h MET 433 Ca 0.00 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.33 5req h MET 433 Cb 0.00 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 5req h MET 433 CO 0.00 0.89 0.24 0.00 1.06 0.00 0.00 176.91 179.10 5req h ALA 434 N 1.08 0.54 -0.41 6.32 0.00 -1.94 0.23 119.26 125.08 5req h ALA 434 Ca 0.05 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 5req h ALA 434 Cb 0.86 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 5req h ALA 434 CO 0.07 0.05 -0.08 0.87 0.00 0.00 0.00 179.25 180.17 5req h LYS 435 N 0.55 0.72 -0.31 0.00 1.57 -1.80 -2.61 116.57 114.69 5req h LYS 435 Ca 0.15 -0.22 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 5req h LYS 435 Cb 0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 5req h LYS 435 CO -0.03 0.79 -0.37 0.00 -0.57 0.00 0.00 179.45 179.27 5req h ALA 436 N 1.25 0.76 -0.44 3.86 0.00 -0.70 -3.13 119.26 120.86 5req h ALA 436 Ca 0.12 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 5req h ALA 436 Cb 0.53 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 5req h ALA 436 CO 0.03 0.66 -0.19 0.82 0.00 0.00 0.00 179.25 180.56 5req h ILE 437 N 0.59 1.27 0.00 0.00 2.04 -0.52 -3.12 117.51 117.77 5req h ILE 437 Ca 0.05 -1.32 -0.05 0.00 1.00 0.00 0.00 64.86 64.55 5req h ILE 437 Cb 0.91 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 5req h ILE 437 CO 0.08 0.45 -0.24 1.05 0.00 0.00 0.00 178.15 179.49 5req h GLU 438 N 0.75 0.00 -0.47 2.37 -0.00 -1.41 -1.17 114.58 114.65 5req h GLU 438 Ca 0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.42 5req h GLU 438 Cb 0.72 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.45 5req h GLU 438 CO 0.06 0.24 0.10 0.87 -0.00 0.00 0.00 179.01 180.27 5req h LYS 439 N 0.00 0.72 0.00 1.06 1.57 -1.54 -3.48 116.57 114.90 5req h LYS 439 Ca -0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 5req h LYS 439 Cb 0.44 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.64 5req h LYS 439 CO 0.03 0.66 0.00 0.41 -0.57 0.00 0.00 179.45 179.99 5req n GLY 440 N -0.91 0.86 0.23 3.86 0.00 -0.44 -5.01 105.19 103.78 5req n GLY 440 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 5req n GLY 440 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 5req h ILE 441 N 0.00 0.60 -0.47 -0.61 1.08 -1.80 -2.59 117.51 113.72 5req h ILE 441 Ca 0.00 -0.48 0.09 0.00 -0.39 0.00 0.00 64.86 64.08 5req h ILE 441 Cb 0.00 0.83 -0.10 0.00 -3.07 0.00 0.00 36.82 34.48 5req h ILE 441 CO 0.00 0.09 -0.32 -0.65 -0.69 0.00 0.00 178.15 176.58 5req h PRO 442 N -0.79 -0.20 -0.76 2.37 0.11 -1.90 0.34 132.00 131.17 5req h PRO 442 Ca -0.05 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 5req h PRO 442 Cb 0.52 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.64 5req h PRO 442 CO 0.08 -0.13 0.34 -0.22 -0.21 0.00 0.00 178.00 177.86 5req h LYS 443 N -0.21 1.12 -0.71 1.05 3.64 -1.80 -1.61 116.57 118.06 5req h LYS 443 Ca 0.20 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 5req h LYS 443 Cb 0.53 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 5req h LYS 443 CO -0.59 0.89 0.25 0.52 -2.27 0.00 0.00 179.45 178.26 5req h MET 444 N 1.09 1.08 -0.71 1.90 2.86 -0.88 0.11 114.93 120.37 5req h MET 444 Ca 0.26 -0.21 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 5req h MET 444 Cb 0.16 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.60 5req h MET 444 CO -0.03 0.91 0.42 -0.09 1.06 0.00 0.00 176.91 179.18 5req h ARG 445 N 1.02 0.76 -0.34 1.72 9.65 -0.11 -0.44 114.38 126.64 5req h ARG 445 Ca 0.23 -0.05 -0.14 0.00 -1.10 0.00 0.00 59.98 58.93 5req h ARG 445 Cb 0.25 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 5req h ARG 445 CO -0.01 0.50 -0.35 0.82 2.80 0.00 0.00 179.97 183.73 5req h ILE 446 N 0.78 1.28 -0.24 1.20 2.04 -0.91 -3.09 117.51 118.57 5req h ILE 446 Ca 0.31 -1.51 -0.09 0.00 1.00 0.00 0.00 64.86 64.57 5req h ILE 446 Cb 0.14 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 5req h ILE 446 CO -0.16 0.49 -0.26 -0.33 0.00 0.00 0.00 178.15 177.89 5req h GLU 447 N 0.65 0.45 -0.15 2.37 5.08 -0.23 -2.70 114.58 120.05 5req h GLU 447 Ca 0.06 -0.17 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 5req h GLU 447 Cb 0.89 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 5req h GLU 447 CO 0.08 0.68 -0.01 0.93 -1.00 0.00 0.00 179.01 179.69 5req h GLU 448 N 0.40 0.04 -0.84 2.33 5.08 -1.09 -1.37 114.58 119.12 5req h GLU 448 Ca 0.06 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 5req h GLU 448 Cb 0.67 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 5req h GLU 448 CO 0.05 0.02 0.52 0.00 -1.00 0.00 0.00 179.01 178.61 5req h ALA 449 N 1.14 1.14 -0.27 3.43 0.00 -1.45 -1.33 119.26 121.92 5req h ALA 449 Ca 0.07 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 5req h ALA 449 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 5req h ALA 449 CO -0.13 0.29 -0.19 0.00 0.00 0.00 0.00 179.25 179.22 5req h ALA 450 N 1.38 1.18 -0.21 0.00 0.00 -1.24 -0.91 119.26 119.46 5req h ALA 450 Ca 0.36 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 5req h ALA 450 Cb 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 5req h ALA 450 CO -0.16 0.52 -0.26 0.00 0.00 0.00 0.00 179.25 179.36 5req h ALA 451 N 1.37 0.32 -0.01 0.00 0.00 -0.91 -1.36 119.26 118.67 5req h ALA 451 Ca 0.07 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.62 5req h ALA 451 Cb 0.58 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 5req h ALA 451 CO 0.04 0.30 -0.12 0.00 0.00 0.00 0.00 179.25 179.47 5req h ARG 452 N 0.23 -0.19 -0.48 0.00 3.08 -1.16 -0.16 114.38 115.71 5req h ARG 452 Ca 0.03 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.11 5req h ARG 452 Cb 0.82 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.88 5req h ARG 452 CO 0.06 -0.12 0.28 1.15 -1.07 0.00 0.00 179.97 180.27 5req h THR 453 N -0.19 1.04 -0.52 2.04 2.02 -1.20 -2.01 112.91 114.08 5req h THR 453 Ca 0.05 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 5req h THR 453 Cb 0.25 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 5req h THR 453 CO -0.12 0.10 0.32 -0.61 0.37 0.00 0.00 175.52 175.58 5req h GLN 454 N 0.56 0.70 -0.22 6.66 5.75 -0.97 -1.75 115.11 125.85 5req h GLN 454 Ca 0.19 -0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.69 5req h GLN 454 Cb 0.02 -0.15 -0.06 0.00 1.07 0.00 0.00 27.48 28.36 5req h GLN 454 CO -0.09 0.50 -0.19 0.00 -2.65 0.00 0.00 178.83 176.40 5req h ALA 455 N 1.16 -0.06 -0.67 3.38 0.00 -0.79 0.20 119.26 122.49 5req h ALA 455 Ca 0.19 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 5req h ALA 455 Cb -0.03 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 5req h ALA 455 CO -0.04 -0.62 0.42 0.00 0.00 0.00 0.00 179.25 179.01 5req h ARG 456 N -0.20 0.89 0.04 0.00 3.08 -1.16 -1.78 114.38 115.26 5req h ARG 456 Ca 0.13 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 59.93 5req h ARG 456 Cb 0.39 -0.19 0.02 0.00 0.08 0.00 0.00 29.97 30.27 5req h ARG 456 CO -0.34 0.61 -0.73 0.82 -1.07 0.00 0.00 179.97 179.27 5req h ILE 457 N 0.91 1.43 -0.00 2.04 2.04 -0.79 -1.62 117.51 121.51 5req h ILE 457 Ca 0.24 -2.22 0.01 0.00 1.00 0.00 0.00 64.86 63.89 5req h ILE 457 Cb -0.06 2.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 5req h ILE 457 CO -0.05 0.65 -0.05 0.44 0.00 0.00 0.00 178.15 179.14 5req h ASP 458 N -0.11 -0.15 -0.16 1.72 3.32 -0.53 -3.01 116.42 117.51 5req h ASP 458 Ca -0.10 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 5req h ASP 458 Cb 1.46 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 41.06 5req h ASP 458 CO 0.14 -0.08 -0.07 0.77 -1.72 0.00 0.00 179.24 178.28 5req h SER 459 N -0.09 0.46 0.00 6.45 4.64 -1.46 -3.48 113.55 120.07 5req h SER 459 Ca 0.02 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 5req h SER 459 Cb 0.12 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 5req h SER 459 CO -0.05 0.58 0.00 0.61 -0.87 0.00 0.00 176.83 177.10 5req n GLY 460 N -0.76 1.05 0.46 -0.77 0.00 -0.92 -5.01 105.19 99.24 5req n GLY 460 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 5req n GLY 460 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 5req h ARG 461 N 1.19 -0.84 -5.43 1.61 3.08 -1.62 -3.35 114.38 109.02 5req h ARG 461 Ca 0.00 0.06 -0.64 0.00 0.07 0.00 0.00 59.98 59.46 5req h ARG 461 Cb 0.00 0.19 -0.14 0.00 0.08 0.00 0.00 29.97 30.10 5req h ARG 461 CO 0.00 -0.56 0.12 -1.14 -1.07 0.00 0.00 179.97 177.32 5req s GLN 462 N -5.91 3.46 0.61 0.04 0.74 -0.70 -5.02 119.66 112.88 5req s GLN 462 Ca -0.17 -0.19 -0.18 0.00 0.05 0.00 0.00 55.36 54.86 5req s GLN 462 Cb 0.05 -3.89 -0.03 0.00 1.10 0.00 0.00 33.01 30.25 5req s GLN 462 CO 0.62 -0.88 1.21 -2.14 -0.55 0.00 0.00 175.29 173.55 5req s PRO 463 N 2.75 2.86 -0.31 1.67 0.02 -1.26 -4.31 135.00 136.42 5req s PRO 463 Ca 0.23 1.83 0.01 0.00 0.02 0.00 0.00 61.00 63.10 5req s PRO 463 Cb -0.14 -1.91 0.15 0.00 0.02 0.00 0.00 34.50 32.61 5req s PRO 463 CO 0.17 -1.30 0.35 -1.17 -0.33 0.00 0.00 177.00 174.73 5req s LEU 464 N -4.21 -0.38 0.17 -5.54 2.96 -1.26 -5.06 118.68 105.36 5req s LEU 464 Ca 0.77 -0.86 -0.32 0.00 -0.22 0.00 0.00 54.13 53.51 5req s LEU 464 Cb -0.31 0.72 -0.12 0.00 0.50 0.00 0.00 46.19 46.99 5req s LEU 464 CO 0.35 -0.34 1.77 -0.38 -1.32 0.00 0.00 176.35 176.42 5req n ILE 465 N 5.04 0.16 0.00 6.68 2.08 -1.26 -2.29 119.36 129.77 5req n ILE 465 Ca 0.02 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.30 5req n ILE 465 Cb 0.47 -2.01 0.00 0.00 -0.75 0.00 0.00 39.64 37.35 5req n ILE 465 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 5req n GLY 466 N 4.05 1.11 0.59 7.39 0.00 0.09 -4.86 105.19 113.57 5req n GLY 466 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.19 5req n GLY 466 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 5req n VAL 467 N -2.00 0.14 0.74 1.61 0.31 -0.97 -4.50 118.33 113.66 5req n VAL 467 Ca 0.00 0.22 0.09 0.00 -0.01 0.00 0.00 64.34 64.63 5req n VAL 467 Cb 0.00 -1.28 0.05 0.00 -0.91 0.00 0.00 33.84 31.70 5req n VAL 467 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 5req n ASN 468 N -2.65 2.23 -3.68 4.52 0.23 -1.02 -4.78 115.26 110.11 5req n ASN 468 Ca -0.01 -1.61 -0.10 0.00 -0.53 0.00 0.00 54.58 52.33 5req n ASN 468 Cb 0.02 0.14 -0.09 0.00 -2.08 0.00 0.00 39.78 37.77 5req n ASN 468 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 5req s LYS 469 N -1.62 0.53 -1.19 -3.83 2.20 -1.24 -4.93 119.74 109.66 5req s LYS 469 Ca 0.19 0.89 -0.07 0.00 -0.36 0.00 0.00 55.97 56.62 5req s LYS 469 Cb 0.14 0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 36.54 5req s LYS 469 CO 0.28 -0.14 0.80 0.66 -0.36 0.00 0.00 175.35 176.60 5req n TYR 470 N 3.94 -2.07 -1.44 4.03 4.01 -1.26 -0.73 117.16 123.64 5req n TYR 470 Ca -0.20 0.75 -0.32 0.00 -0.16 0.00 0.00 57.90 57.96 5req n TYR 470 Cb 0.56 -4.13 0.08 0.00 -0.31 0.00 0.00 39.34 35.55 5req n TYR 470 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 5req s ARG 471 N -5.52 2.35 0.50 -0.72 0.52 -1.26 -3.97 118.95 110.85 5req s ARG 471 Ca 0.24 1.38 -0.04 0.00 -0.52 0.00 0.00 55.73 56.79 5req s ARG 471 Cb -0.06 -1.89 -0.01 0.00 0.52 0.00 0.00 34.95 33.50 5req s ARG 471 CO 0.80 -1.60 0.78 -0.51 0.02 0.00 0.00 175.30 174.79 5req s LEU 472 N -5.44 3.52 0.00 2.53 1.43 -1.26 -5.01 118.68 114.45 5req s LEU 472 Ca 0.66 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 5req s LEU 472 Cb -0.21 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.47 5req s LEU 472 CO 0.49 -0.77 0.59 -1.84 0.23 0.00 0.00 176.35 175.05 5req n GLU 473 N -2.30 0.00 -5.00 1.70 0.28 -1.26 -4.78 120.64 109.28 5req n GLU 473 Ca 0.02 0.31 -0.32 0.00 -0.16 0.00 0.00 57.16 57.00 5req n GLU 473 Cb 0.57 -1.17 -0.14 0.00 1.43 0.00 0.00 31.44 32.12 5req n GLU 473 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 5req s HIS 474 N -1.80 2.63 -0.07 -1.84 3.76 -1.26 -5.10 115.29 111.61 5req s HIS 474 Ca 0.00 -0.41 -0.29 0.00 -0.15 0.00 0.00 55.06 54.21 5req s HIS 474 Cb 0.00 -1.65 -0.02 0.00 1.11 0.00 0.00 32.58 32.02 5req s HIS 474 CO 0.00 -0.01 0.95 -1.21 -0.85 0.00 0.00 174.74 173.63 5req s GLU 475 N -0.38 4.46 0.63 1.40 0.41 -1.26 -5.02 118.70 118.95 5req s GLU 475 Ca 0.03 1.32 -0.18 0.00 -0.41 0.00 0.00 54.97 55.73 5req s GLU 475 Cb -0.12 -3.51 -0.02 0.00 -1.78 0.00 0.00 34.13 28.70 5req s GLU 475 CO 0.02 -0.18 1.27 -1.25 -0.49 0.00 0.00 175.26 174.63 5req s PRO 476 N 1.53 2.70 0.44 0.39 0.04 -1.26 -4.95 135.00 133.89 5req s PRO 476 Ca 0.48 2.01 -0.26 0.00 0.04 0.00 0.00 61.00 63.27 5req s PRO 476 Cb -0.19 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 5req s PRO 476 CO 0.21 -1.47 1.39 -0.35 0.04 0.00 0.00 177.00 176.83 5req n PRO 477 N -1.77 2.20 -3.84 0.56 -0.04 -1.26 -5.02 135.00 125.83 5req n PRO 477 Ca 0.15 0.78 -0.27 0.00 -0.04 0.00 0.00 63.50 64.13 5req n PRO 477 Cb 0.48 -2.56 -0.17 0.00 -0.04 0.00 0.00 33.50 31.21 5req n PRO 477 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 5req s LEU 478 N -2.33 1.21 0.02 1.53 2.96 -1.26 -5.11 118.68 115.70 5req s LEU 478 Ca 0.60 -0.47 -0.30 0.00 -0.22 0.00 0.00 54.13 53.74 5req s LEU 478 Cb -0.47 -0.73 -0.07 0.00 0.50 0.00 0.00 46.19 45.42 5req s LEU 478 CO 0.58 -0.19 1.58 -1.81 -1.32 0.00 0.00 176.35 175.20 5req s ASP 479 N 1.77 6.68 0.19 3.68 1.01 -1.26 -5.00 116.67 123.74 5req s ASP 479 Ca 0.02 2.33 0.09 0.00 0.71 0.00 0.00 52.55 55.71 5req s ASP 479 Cb -0.14 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 5req s ASP 479 CO -0.07 -0.85 -0.19 0.68 0.21 0.00 0.00 175.17 174.95 5req s VAL 480 N 2.88 1.98 0.05 -1.27 -7.23 -1.26 -4.97 120.40 110.59 5req s VAL 480 Ca 0.71 -2.02 -0.31 0.00 -1.81 0.00 0.00 61.98 58.55 5req s VAL 480 Cb -0.36 -1.97 -0.06 0.00 0.56 0.00 0.00 36.38 34.55 5req s VAL 480 CO 0.30 -0.31 1.37 -0.22 -0.31 0.00 0.00 175.10 175.92 5req s LEU 481 N -2.82 4.35 -0.13 1.32 2.96 -1.25 -5.01 118.68 118.09 5req s LEU 481 Ca 0.19 2.18 0.02 0.00 -0.22 0.00 0.00 54.13 56.30 5req s LEU 481 Cb -0.06 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.08 5req s LEU 481 CO 0.08 -0.66 -0.17 -0.75 -1.32 0.00 0.00 176.35 173.53 5req s LYS 482 N 1.70 2.53 -0.03 1.98 2.20 -1.26 -4.50 119.74 122.36 5req s LYS 482 Ca 0.63 -0.67 -0.21 0.00 -0.36 0.00 0.00 55.97 55.36 5req s LYS 482 Cb -0.33 -2.15 -0.05 0.00 -1.51 0.00 0.00 37.83 33.79 5req s LYS 482 CO 0.28 -0.09 0.63 0.08 -0.36 0.00 0.00 175.35 175.89 5req s VAL 483 N 1.05 4.97 -0.61 4.02 1.01 -1.26 -5.02 120.40 124.56 5req s VAL 483 Ca -0.04 1.30 -0.22 0.00 0.00 0.00 0.00 61.98 63.02 5req s VAL 483 Cb -0.15 -3.97 0.06 0.00 0.00 0.00 0.00 36.38 32.33 5req s VAL 483 CO -0.04 0.35 0.89 -0.62 0.00 0.00 0.00 175.10 175.68 5req s ASP 484 N 0.22 6.22 0.17 3.32 -1.08 -1.26 -4.94 116.67 119.32 5req s ASP 484 Ca 0.33 -0.86 -0.14 0.00 -0.52 0.00 0.00 52.55 51.36 5req s ASP 484 Cb -0.18 -2.40 0.10 0.00 -1.46 0.00 0.00 42.92 38.98 5req s ASP 484 CO 0.17 -1.29 1.81 -1.13 0.52 0.00 0.00 175.17 175.25 5req h ASN 485 N 9.40 0.46 -0.45 -0.34 -0.73 -1.95 -3.00 115.58 118.97 5req h ASN 485 Ca -0.28 0.01 0.01 0.00 1.87 0.00 0.00 56.30 57.91 5req h ASN 485 Cb 1.08 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 39.56 5req h ASN 485 CO 1.12 0.32 0.30 0.77 -0.37 0.00 0.00 177.43 179.57 5req h SER 486 N 0.57 0.50 1.01 1.15 4.64 -1.94 -2.71 113.55 116.77 5req h SER 486 Ca 0.20 -0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 61.30 5req h SER 486 Cb 0.04 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 61.98 5req h SER 486 CO -0.10 0.36 -1.00 0.00 -0.87 0.00 0.00 176.83 175.22 5req h THR 487 N 0.59 1.63 0.33 2.95 1.03 -1.96 -2.82 112.91 114.66 5req h THR 487 Ca 0.17 -3.33 -0.02 0.00 -0.01 0.00 0.00 66.41 63.22 5req h THR 487 Cb -0.04 2.81 0.00 0.00 -1.07 0.00 0.00 68.15 69.85 5req h THR 487 CO -0.04 0.93 -0.16 0.58 -0.01 0.00 0.00 175.52 176.82 5req h VAL 488 N 0.00 0.69 -0.27 0.00 2.07 -1.50 -0.44 116.25 116.80 5req h VAL 488 Ca -0.02 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.24 5req h VAL 488 Cb 1.76 0.86 -0.08 0.00 -1.52 0.00 0.00 31.29 32.31 5req h VAL 488 CO 0.12 0.06 -0.45 0.25 0.02 0.00 0.00 177.57 177.58 5req h LEU 489 N -0.62 -1.45 -0.35 2.57 5.85 -1.59 0.11 115.31 119.84 5req h LEU 489 Ca -0.05 0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.94 5req h LEU 489 Cb 0.44 0.60 -0.06 0.00 0.37 0.00 0.00 40.66 42.02 5req h LEU 489 CO 0.07 -0.41 -0.02 0.00 -0.34 0.00 0.00 178.44 177.74 5req h ALA 490 N 0.19 0.30 -0.23 1.25 0.00 -1.49 0.83 119.26 120.11 5req h ALA 490 Ca 0.10 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.13 5req h ALA 490 Cb 0.61 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 5req h ALA 490 CO -0.49 -0.42 0.12 0.93 0.00 0.00 0.00 179.25 179.39 5req h GLU 491 N 0.07 0.25 -0.65 0.00 5.08 -0.55 -0.87 114.58 117.91 5req h GLU 491 Ca 0.17 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 5req h GLU 491 Cb 0.25 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 5req h GLU 491 CO -0.31 0.16 0.12 1.96 -1.00 0.00 0.00 179.01 179.94 5req h GLN 492 N 0.25 1.06 -0.08 2.33 1.08 -0.43 -2.26 115.11 117.05 5req h GLN 492 Ca 0.09 -0.28 0.01 0.00 -1.45 0.00 0.00 58.65 57.03 5req h GLN 492 Cb 0.02 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 5req h GLN 492 CO -0.06 0.97 0.00 0.87 -0.95 0.00 0.00 178.83 179.67 5req h LYS 493 N 0.98 0.03 -0.43 1.46 1.57 -0.70 -2.08 116.57 117.41 5req h LYS 493 Ca 0.20 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.05 5req h LYS 493 Cb 0.41 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.65 5req h LYS 493 CO 0.01 0.02 0.02 0.00 -0.57 0.00 0.00 179.45 178.94 5req h ALA 494 N 1.07 0.41 -0.96 3.86 0.00 -0.98 -2.05 119.26 120.62 5req h ALA 494 Ca 0.04 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.12 5req h ALA 494 Cb 0.04 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 5req h ALA 494 CO -0.06 -0.37 0.62 0.87 0.00 0.00 0.00 179.25 180.31 5req h LYS 495 N 0.14 1.11 -0.00 0.00 1.57 -1.28 -2.11 116.57 115.99 5req h LYS 495 Ca 0.21 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.79 5req h LYS 495 Cb 0.29 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 5req h LYS 495 CO -0.33 0.73 -0.61 -0.07 -0.57 0.00 0.00 179.45 178.60 5req h LEU 496 N 1.14 0.00 -0.01 2.94 3.38 -0.91 -0.33 115.31 121.53 5req h LEU 496 Ca 0.40 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.37 5req h LEU 496 Cb 0.12 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 5req h LEU 496 CO -0.14 0.61 -0.00 0.58 0.09 0.00 0.00 178.44 179.58 5req h VAL 497 N 0.00 1.38 -0.14 1.22 2.07 -1.13 -2.52 116.25 117.13 5req h VAL 497 Ca -0.01 -1.11 0.04 0.00 0.82 0.00 0.00 66.70 66.44 5req h VAL 497 Cb 1.09 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.93 5req h VAL 497 CO 0.08 0.29 -0.13 0.50 0.02 0.00 0.00 177.57 178.33 5req h LYS 498 N -0.46 -0.14 -0.36 1.57 3.64 -1.36 -2.10 116.57 117.36 5req h LYS 498 Ca 0.00 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 5req h LYS 498 Cb 0.48 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.25 5req h LYS 498 CO 0.00 -0.10 -0.19 1.25 -2.27 0.00 0.00 179.45 178.15 5req h LEU 499 N -0.15 -0.64 -0.92 5.20 5.85 -1.09 -0.86 115.31 122.70 5req h LEU 499 Ca 0.09 0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.86 5req h LEU 499 Cb 0.29 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 5req h LEU 499 CO -0.23 -0.22 -0.21 0.03 -0.34 0.00 0.00 178.44 177.46 5req h ARG 500 N -0.13 0.55 -0.11 1.25 3.08 -1.26 -0.51 114.38 117.25 5req h ARG 500 Ca 0.18 -0.20 -0.20 0.00 0.07 0.00 0.00 59.98 59.83 5req h ARG 500 Cb 0.41 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.42 5req h ARG 500 CO -0.44 0.73 -0.74 0.00 -1.07 0.00 0.00 179.97 178.45 5req h ALA 501 N 1.28 0.49 0.00 0.04 0.00 -1.26 -3.29 119.26 116.52 5req h ALA 501 Ca 0.08 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.38 5req h ALA 501 Cb 0.64 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 5req h ALA 501 CO 0.05 0.73 -0.50 1.05 0.00 0.00 0.00 179.25 180.58 5req h GLU 502 N 0.39 0.00 -7.49 0.00 9.09 -1.08 -3.47 114.58 112.02 5req h GLU 502 Ca -0.04 0.00 -0.46 0.00 0.05 0.00 0.00 59.36 58.92 5req h GLU 502 Cb 1.34 0.00 0.12 0.00 -1.65 0.00 0.00 28.75 28.55 5req h GLU 502 CO 0.14 0.00 0.29 -0.98 0.05 0.00 0.00 179.01 178.51 5req s ARG 503 N -3.20 1.39 -0.37 1.06 1.70 -0.21 -5.06 118.95 114.26 5req s ARG 503 Ca 0.06 -0.52 -0.12 0.00 -0.47 0.00 0.00 55.73 54.67 5req s ARG 503 Cb 0.11 -2.06 0.02 0.00 -0.57 0.00 0.00 34.95 32.45 5req s ARG 503 CO 0.71 -1.81 0.22 0.34 -1.08 0.00 0.00 175.30 173.68 5req s ASP 504 N -4.74 5.81 0.28 -2.89 -1.08 -1.26 -4.98 116.67 107.81 5req s ASP 504 Ca 0.68 -0.91 -0.01 0.00 -0.52 0.00 0.00 52.55 51.79 5req s ASP 504 Cb -0.06 -2.05 0.48 0.00 -1.46 0.00 0.00 42.92 39.82 5req s ASP 504 CO 0.48 -0.38 1.87 -0.65 0.52 0.00 0.00 175.17 177.01 5req h PRO 505 N 8.47 1.06 0.06 4.34 0.11 -1.95 -2.40 132.00 141.69 5req h PRO 505 Ca -0.27 -0.06 -0.24 0.00 0.11 0.00 0.00 66.00 65.54 5req h PRO 505 Cb 1.11 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 5req h PRO 505 CO 0.67 0.70 -1.08 0.93 -0.21 0.00 0.00 178.00 179.01 5req h GLU 506 N 1.09 0.20 -0.14 1.05 3.07 -2.00 -3.02 114.58 114.83 5req h GLU 506 Ca 0.46 -0.30 -0.01 0.00 -0.50 0.00 0.00 59.36 59.01 5req h GLU 506 Cb 0.31 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 5req h GLU 506 CO -0.21 1.10 0.04 0.87 -1.40 0.00 0.00 179.01 179.42 5req h LYS 507 N 0.07 0.23 -0.19 2.33 1.57 -1.92 -1.98 116.57 116.69 5req h LYS 507 Ca -0.08 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.69 5req h LYS 507 Cb 1.80 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 34.00 5req h LYS 507 CO 0.17 0.36 -0.48 0.28 -0.57 0.00 0.00 179.45 179.21 5req h VAL 508 N 0.05 0.07 -0.56 0.50 2.07 -1.52 -1.58 116.25 115.28 5req h VAL 508 Ca 0.05 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.65 5req h VAL 508 Cb 0.23 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.00 5req h VAL 508 CO -0.00 0.00 0.19 0.50 0.02 0.00 0.00 177.57 178.27 5req h LYS 509 N -0.50 0.34 0.07 1.57 3.64 -1.45 0.95 116.57 121.19 5req h LYS 509 Ca 0.07 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 5req h LYS 509 Cb 0.65 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 5req h LYS 509 CO -0.45 0.23 -0.08 0.00 -2.27 0.00 0.00 179.45 176.88 5req h ALA 510 N 1.39 -0.14 -0.62 5.00 0.00 -1.15 0.26 119.26 124.01 5req h ALA 510 Ca 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 5req h ALA 510 Cb 0.34 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 5req h ALA 510 CO -0.30 -0.59 0.33 0.00 0.00 0.00 0.00 179.25 178.69 5req h ALA 511 N 0.75 0.79 -0.22 0.00 0.00 -1.03 0.23 119.26 119.79 5req h ALA 511 Ca 0.01 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.82 5req h ALA 511 Cb 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 5req h ALA 511 CO -0.03 0.32 0.11 -0.07 0.00 0.00 0.00 179.25 179.58 5req h LEU 512 N 0.84 0.16 -1.10 0.00 3.38 -0.71 -2.28 115.31 115.60 5req h LEU 512 Ca 0.22 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 5req h LEU 512 Cb 0.06 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 5req h LEU 512 CO -0.03 0.13 -0.14 0.44 0.09 0.00 0.00 178.44 178.92 5req h ASP 513 N 0.23 0.46 -0.40 -0.43 3.32 -0.03 -2.44 116.42 117.13 5req h ASP 513 Ca 0.09 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.06 5req h ASP 513 Cb 0.02 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 5req h ASP 513 CO -0.06 0.63 0.15 0.50 -1.72 0.00 0.00 179.24 178.74 5req h LYS 514 N 0.43 0.31 0.01 3.56 3.64 -0.36 0.29 116.57 124.46 5req h LYS 514 Ca 0.08 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 5req h LYS 514 Cb 0.51 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 5req h LYS 514 CO 0.03 0.21 -0.23 0.82 -2.27 0.00 0.00 179.45 178.01 5req h ILE 515 N 0.32 0.47 -0.55 2.00 2.04 -0.95 0.12 117.51 120.96 5req h ILE 515 Ca 0.18 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.09 5req h ILE 515 Cb 0.15 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 5req h ILE 515 CO -0.17 0.00 0.29 0.74 0.00 0.00 0.00 178.15 179.01 5req h THR 516 N -0.37 0.97 0.03 -0.27 2.02 -1.11 0.17 112.91 114.35 5req h THR 516 Ca 0.06 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 67.07 5req h THR 516 Cb 0.44 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 67.16 5req h THR 516 CO -0.20 0.10 -0.40 -0.25 0.37 0.00 0.00 175.52 175.14 5req h TRP 517 N 0.57 -1.14 -0.72 3.16 7.01 -0.05 -1.35 115.95 123.42 5req h TRP 517 Ca 0.24 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.27 5req h TRP 517 Cb 0.13 0.50 -0.03 0.00 -2.10 0.00 0.00 29.16 27.65 5req h TRP 517 CO -0.09 -0.49 0.40 0.00 -2.79 0.00 0.00 178.44 175.47 5req h ALA 518 N -0.02 1.36 -0.27 2.65 0.00 -0.22 -0.95 119.26 121.80 5req h ALA 518 Ca 0.04 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.91 5req h ALA 518 Cb 0.65 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 5req h ALA 518 CO -0.29 0.53 -0.09 0.00 0.00 0.00 0.00 179.25 179.40 5req h ALA 519 N 1.45 0.15 0.00 0.00 0.00 -0.34 -2.48 119.26 118.04 5req h ALA 519 Ca 0.25 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.27 5req h ALA 519 Cb 0.01 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.04 5req h ALA 519 CO -0.04 -0.49 0.00 0.78 0.00 0.00 0.00 179.25 179.50 5req h GLY 520 N -0.04 0.00 -6.60 0.00 0.00 -0.91 -3.39 103.07 92.13 5req h GLY 520 Ca 0.13 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.86 5req h GLY 520 CO -0.29 0.00 -0.76 0.70 0.00 0.00 0.00 176.54 176.19 5req n ASN 521 N -2.64 1.77 -4.68 0.19 4.13 -0.39 -5.08 115.26 108.55 5req n ASN 521 Ca 0.01 -2.94 -0.42 0.00 1.68 0.00 0.00 54.58 52.91 5req n ASN 521 Cb 0.25 -0.67 -0.03 0.00 -1.54 0.00 0.00 39.78 37.80 5req n ASN 521 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 5req s PRO 522 N -1.14 4.27 -0.21 3.52 0.04 -1.24 -4.77 135.00 135.47 5req s PRO 522 Ca 0.31 1.88 -0.03 0.00 0.04 0.00 0.00 61.00 63.20 5req s PRO 522 Cb 0.04 -3.66 0.07 0.00 0.04 0.00 0.00 34.50 30.99 5req s PRO 522 CO -0.15 -0.61 0.06 0.34 0.04 0.00 0.00 177.00 176.68 5req s ASP 523 N 2.00 2.99 0.25 6.66 2.15 -1.26 -5.04 116.67 124.42 5req s ASP 523 Ca 0.62 -0.91 -0.03 0.00 0.43 0.00 0.00 52.55 52.66 5req s ASP 523 Cb -0.29 -0.54 0.50 0.00 -0.30 0.00 0.00 42.92 42.29 5req s ASP 523 CO 0.24 -0.34 1.72 0.44 -0.17 0.00 0.00 175.17 177.06 5req h ASP 524 N 8.27 0.26 -0.04 -0.34 3.32 -1.95 -2.62 116.42 123.33 5req h ASP 524 Ca -0.16 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.01 5req h ASP 524 Cb 1.10 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.76 5req h ASP 524 CO 0.35 0.07 0.00 0.29 -1.72 0.00 0.00 179.24 178.24 5req n LYS 525 N -5.02 1.19 -3.86 3.56 4.01 -1.26 -4.63 118.16 112.14 5req n LYS 525 Ca 0.16 -0.28 -0.35 0.00 -0.51 0.00 0.00 58.31 57.32 5req n LYS 525 Cb 0.46 -1.35 -0.13 0.00 -0.51 0.00 0.00 35.03 33.50 5req n LYS 525 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 5req s ASP 526 N -1.65 5.03 0.47 4.39 2.15 -0.99 -4.99 116.67 121.09 5req s ASP 526 Ca 0.32 -1.60 0.27 0.00 0.43 0.00 0.00 52.55 51.97 5req s ASP 526 Cb 0.15 -1.76 1.05 0.00 -0.30 0.00 0.00 42.92 42.07 5req s ASP 526 CO 0.25 -0.37 1.87 1.55 -0.17 0.00 0.00 175.17 178.30 5req h PRO 527 N 8.00 0.00 0.00 4.34 0.13 -1.84 -2.97 132.00 139.66 5req h PRO 527 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 5req h PRO 527 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 5req h PRO 527 CO 0.59 0.16 0.00 -0.44 -0.23 0.00 0.00 178.00 178.08 5req h ASP 528 N 0.00 0.00 0.30 1.44 3.32 -1.96 -2.68 116.42 116.84 5req h ASP 528 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 5req h ASP 528 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 5req h ASP 528 CO 0.02 0.00 -0.68 -1.14 -1.72 0.00 0.00 179.24 175.72 5req n ARG 529 N -2.59 0.03 -1.60 3.56 0.63 -1.12 -4.78 116.66 110.78 5req n ARG 529 Ca 0.01 -0.02 -0.49 0.00 -0.92 0.00 0.00 57.85 56.44 5req n ARG 529 Cb 0.26 -1.50 -0.04 0.00 0.45 0.00 0.00 32.46 31.62 5req n ARG 529 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 5req n ASN 530 N -1.47 1.68 -0.10 6.15 2.85 -1.01 -4.81 115.26 118.54 5req n ASN 530 Ca 0.05 1.13 -0.02 0.00 -0.11 0.00 0.00 54.58 55.63 5req n ASN 530 Cb 0.33 -1.24 0.21 0.00 1.24 0.00 0.00 39.78 40.33 5req n ASN 530 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 5req h LEU 531 N 3.95 0.70 -0.18 1.20 3.38 -1.91 0.41 115.31 122.86 5req h LEU 531 Ca -0.45 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.36 5req h LEU 531 Cb 1.33 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 5req h LEU 531 CO 0.74 0.72 0.00 0.25 0.09 0.00 0.00 178.44 180.24 5req h LEU 532 N 0.72 0.31 -0.39 1.67 5.85 -1.90 -1.73 115.31 119.84 5req h LEU 532 Ca 0.16 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.65 5req h LEU 532 Cb 0.32 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 5req h LEU 532 CO 0.00 0.54 -0.04 0.50 -0.34 0.00 0.00 178.44 179.10 5req h LYS 533 N 0.07 0.06 0.00 1.25 3.11 -1.76 -1.99 116.57 117.31 5req h LYS 533 Ca 0.05 -0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.82 5req h LYS 533 Cb 0.38 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.59 5req h LYS 533 CO 0.01 0.04 -0.33 -0.07 -2.81 0.00 0.00 179.45 176.29 5req h LEU 534 N 0.06 0.00 -0.43 5.20 3.38 -0.90 -2.93 115.31 119.69 5req h LEU 534 Ca 0.19 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 5req h LEU 534 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 5req h LEU 534 CO -0.36 0.33 -0.20 0.00 0.09 0.00 0.00 178.44 178.30 5req h ILE 536 N 0.73 0.53 -0.58 0.00 2.04 -1.21 0.24 117.51 119.27 5req h ILE 536 Ca 0.10 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.98 5req h ILE 536 Cb 0.76 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 5req h ILE 536 CO 0.06 0.00 0.36 0.44 0.00 0.00 0.00 178.15 179.01 5req h ASP 537 N -0.09 0.60 -0.47 1.72 3.32 -1.39 -0.15 116.42 119.95 5req h ASP 537 Ca 0.17 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 5req h ASP 537 Cb 0.35 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 5req h ASP 537 CO -0.40 0.42 0.15 0.00 -1.72 0.00 0.00 179.24 177.69 5req h ALA 538 N 1.24 0.62 -0.40 3.45 0.00 -1.08 -2.05 119.26 121.05 5req h ALA 538 Ca 0.23 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 5req h ALA 538 Cb -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 5req h ALA 538 CO -0.08 0.27 -0.03 0.78 0.00 0.00 0.00 179.25 180.19 5req h GLY 539 N 0.63 0.70 1.92 0.00 0.00 -0.36 -1.78 103.07 104.17 5req h GLY 539 Ca 0.15 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.94 5req h GLY 539 CO -0.00 0.42 -0.39 -0.09 0.00 0.00 0.00 176.54 176.48 5req h ARG 540 N 0.61 0.09 -0.00 4.80 2.43 -0.90 -2.85 114.38 118.55 5req h ARG 540 Ca 0.12 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 5req h ARG 540 Cb 0.43 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 5req h ARG 540 CO 0.02 0.47 0.00 0.00 -1.51 0.00 0.00 179.97 178.95 5req n ALA 541 N -2.47 2.67 -2.02 2.80 0.00 -0.78 -4.91 120.51 115.80 5req n ALA 541 Ca -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 5req n ALA 541 Cb 0.44 -1.46 -0.00 0.00 0.00 0.00 0.00 19.45 18.43 5req n ALA 541 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 5req n MET 542 N -0.93 -0.07 -2.56 0.00 2.81 -1.08 -4.55 117.12 110.75 5req n MET 542 Ca 0.21 0.04 -0.36 0.00 -1.81 0.00 0.00 57.70 55.78 5req n MET 542 Cb 0.10 -3.58 -0.04 0.00 -0.71 0.00 0.00 33.22 28.99 5req n MET 542 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 5req s ALA 543 N -2.05 3.07 0.76 3.04 0.00 -0.71 -4.92 121.76 120.95 5req s ALA 543 Ca 0.00 0.68 -0.08 0.00 0.00 0.00 0.00 51.96 52.56 5req s ALA 543 Cb -0.00 -3.27 0.10 0.00 0.00 0.00 0.00 23.12 19.95 5req s ALA 543 CO 0.00 -0.20 1.08 0.95 0.00 0.00 0.00 175.76 177.59 5req s THR 544 N -1.70 2.18 0.08 0.00 -4.23 -1.26 -4.57 115.64 106.14 5req s THR 544 Ca 0.59 -0.25 -0.21 0.00 -1.18 0.00 0.00 61.69 60.63 5req s THR 544 Cb -0.21 -2.93 -0.11 0.00 1.34 0.00 0.00 72.50 70.58 5req s THR 544 CO 0.26 0.00 1.62 0.58 -0.54 0.00 0.00 174.62 176.54 5req h VAL 545 N -0.83 1.15 -0.29 2.29 2.07 -1.26 -1.73 116.25 117.66 5req h VAL 545 Ca -0.43 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 66.66 5req h VAL 545 Cb 1.29 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 5req h VAL 545 CO 0.53 0.14 0.13 1.23 0.02 0.00 0.00 177.57 179.62 5req h GLY 546 N 0.06 0.38 0.85 2.17 0.00 -1.82 -1.03 103.07 103.68 5req h GLY 546 Ca 0.04 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.30 5req h GLY 546 CO -0.00 0.07 -0.02 0.83 0.00 0.00 0.00 176.54 177.41 5req h GLU 547 N 0.28 -0.01 -0.85 4.80 5.08 -1.85 0.41 114.58 122.43 5req h GLU 547 Ca 0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 5req h GLU 547 Cb 0.06 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 5req h GLU 547 CO -0.10 -0.01 0.52 0.52 -1.00 0.00 0.00 179.01 178.94 5req h MET 548 N -0.01 1.15 -0.42 2.33 2.86 -1.34 0.30 114.93 119.79 5req h MET 548 Ca 0.03 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 5req h MET 548 Cb 0.06 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 5req h MET 548 CO -0.07 0.80 -0.03 0.77 1.06 0.00 0.00 176.91 179.43 5req h SER 549 N 1.17 0.76 -0.51 1.22 0.02 -0.80 -2.94 113.55 112.48 5req h SER 549 Ca 0.31 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 5req h SER 549 Cb -0.07 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 5req h SER 549 CO -0.06 0.90 0.27 0.44 -1.14 0.00 0.00 176.83 177.25 5req h ASP 550 N 0.60 0.64 -0.98 3.07 3.32 0.15 -1.65 116.42 121.57 5req h ASP 550 Ca 0.12 -0.10 0.16 0.00 0.02 0.00 0.00 57.03 57.23 5req h ASP 550 Cb 0.53 -0.16 -0.10 0.00 0.22 0.00 0.00 39.33 39.82 5req h ASP 550 CO 0.03 0.55 0.60 0.00 -1.72 0.00 0.00 179.24 178.69 5req h ALA 551 N 1.11 1.57 -0.06 3.45 0.00 -0.86 0.13 119.26 124.60 5req h ALA 551 Ca 0.18 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 5req h ALA 551 Cb 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 5req h ALA 551 CO -0.03 0.04 -0.68 -0.07 0.00 0.00 0.00 179.25 178.51 5req h LEU 552 N 0.82 0.30 -0.94 0.00 3.38 -1.44 -3.32 115.31 114.11 5req h LEU 552 Ca 0.54 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.28 5req h LEU 552 Cb 0.74 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 5req h LEU 552 CO -0.34 0.89 0.28 -0.08 0.09 0.00 0.00 178.44 179.28 5req h GLU 553 N 0.18 1.05 -0.78 1.13 4.81 0.23 -1.08 114.58 120.12 5req h GLU 553 Ca -0.02 -0.18 0.18 0.00 -0.13 0.00 0.00 59.36 59.22 5req h GLU 553 Cb 1.22 -0.18 -0.13 0.00 0.63 0.00 0.00 28.75 30.29 5req h GLU 553 CO 0.11 0.86 0.05 0.87 -0.73 0.00 0.00 179.01 180.16 5req h LYS 554 N 1.03 0.12 0.14 1.92 1.57 -1.51 0.61 116.57 120.46 5req h LYS 554 Ca 0.24 -0.01 -0.30 0.00 -1.87 0.00 0.00 60.65 58.71 5req h LYS 554 Cb 0.20 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.48 5req h LYS 554 CO -0.02 0.08 -1.53 0.28 -0.57 0.00 0.00 179.45 177.69 5req h VAL 555 N 0.13 1.00 0.00 0.50 2.07 -1.75 -3.42 116.25 114.78 5req h VAL 555 Ca 0.44 -2.44 -0.17 0.00 0.82 0.00 0.00 66.70 65.35 5req h VAL 555 Cb 0.80 2.74 -0.03 0.00 -1.52 0.00 0.00 31.29 33.28 5req h VAL 555 CO -0.67 0.76 -1.01 -0.26 0.02 0.00 0.00 177.57 176.42 5req h PHE 556 N -0.16 0.00 -1.47 1.57 0.04 -0.67 -3.50 116.94 112.76 5req h PHE 556 Ca -0.32 0.00 0.17 0.00 2.80 0.00 0.00 57.97 60.62 5req h PHE 556 Cb 1.88 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.97 5req h PHE 556 CO 0.12 0.73 -0.36 0.41 -0.60 0.00 0.00 178.31 178.61 5req n GLY 557 N 1.34 -2.07 3.69 -1.45 0.00 0.21 -4.58 105.19 102.33 5req n GLY 557 Ca -0.04 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 5req n GLY 557 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 5req s ARG 558 N -2.30 2.86 0.20 1.61 0.52 -1.26 -4.34 118.95 116.25 5req s ARG 558 Ca 0.00 -0.55 -0.16 0.00 -0.52 0.00 0.00 55.73 54.50 5req s ARG 558 Cb 0.00 -2.72 -0.08 0.00 0.52 0.00 0.00 34.95 32.67 5req s ARG 558 CO 0.00 0.65 0.64 -0.47 0.02 0.00 0.00 175.30 176.13 5req s TYR 559 N -1.05 3.58 -0.09 -0.53 5.04 -0.01 -4.77 117.35 119.53 5req s TYR 559 Ca 0.18 1.19 0.02 0.00 -2.44 0.00 0.00 57.07 56.02 5req s TYR 559 Cb -0.12 -2.47 0.01 0.00 0.35 0.00 0.00 41.96 39.73 5req s TYR 559 CO 0.09 0.34 -0.15 0.99 -1.34 0.00 0.00 175.55 175.48 5req s THR 560 N -1.58 1.38 0.45 4.34 2.01 -1.26 -4.95 115.64 116.03 5req s THR 560 Ca 0.42 -0.60 -0.04 0.00 0.31 0.00 0.00 61.69 61.78 5req s THR 560 Cb -0.15 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 5req s THR 560 CO 0.20 0.41 0.74 0.00 -0.69 0.00 0.00 174.62 175.28 5req s ALA 561 N 0.81 3.46 -0.16 7.40 0.00 -1.26 -5.09 121.76 126.92 5req s ALA 561 Ca -0.11 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 5req s ALA 561 Cb -0.16 -2.50 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 5req s ALA 561 CO 0.02 -0.26 0.20 -1.14 0.00 0.00 0.00 175.76 174.58 5req s GLN 562 N -4.58 4.03 0.03 0.00 0.74 -1.26 -5.03 119.66 113.59 5req s GLN 562 Ca 0.46 -0.06 -0.27 0.00 0.05 0.00 0.00 55.36 55.54 5req s GLN 562 Cb -0.10 -3.36 -0.05 0.00 1.10 0.00 0.00 33.01 30.60 5req s GLN 562 CO 0.42 0.41 0.85 0.42 -0.55 0.00 0.00 175.29 176.84 5req s ILE 563 N -0.01 4.75 -0.05 -2.34 -1.09 -1.26 -5.04 121.20 116.16 5req s ILE 563 Ca 0.13 1.80 -0.01 0.00 -2.23 0.00 0.00 60.65 60.34 5req s ILE 563 Cb -0.12 -4.20 0.03 0.00 -1.58 0.00 0.00 42.46 36.59 5req s ILE 563 CO 0.02 0.29 0.03 -0.13 -1.23 0.00 0.00 174.94 173.92 5req s ARG 564 N 0.31 0.28 -0.09 2.79 0.52 -1.26 -5.14 118.95 116.36 5req s ARG 564 Ca 0.43 0.21 0.03 0.00 -0.52 0.00 0.00 55.73 55.89 5req s ARG 564 Cb -0.21 -0.71 -0.01 0.00 0.52 0.00 0.00 34.95 34.54 5req s ARG 564 CO 0.25 -0.29 -0.19 0.99 0.02 0.00 0.00 175.30 176.08 5req s THR 565 N 1.91 2.51 0.97 0.02 2.01 -1.26 -4.96 115.64 116.83 5req s THR 565 Ca 0.03 -0.88 -0.13 0.00 0.31 0.00 0.00 61.69 61.02 5req s THR 565 Cb -0.12 -1.98 0.17 0.00 0.01 0.00 0.00 72.50 70.57 5req s THR 565 CO -0.04 0.56 1.13 0.27 -0.69 0.00 0.00 174.62 175.85 5req s ILE 566 N 0.05 1.97 -0.06 1.82 -4.36 -1.26 -5.09 121.20 114.27 5req s ILE 566 Ca -0.08 0.00 -0.10 0.00 -0.26 0.00 0.00 60.65 60.22 5req s ILE 566 Cb -0.15 -2.66 0.02 0.00 1.25 0.00 0.00 42.46 40.92 5req s ILE 566 CO 0.05 0.00 0.24 -0.94 0.24 0.00 0.00 174.94 174.53 5req s SER 567 N -3.88 -0.18 -0.27 4.36 1.04 -1.26 -4.69 113.70 108.81 5req s SER 567 Ca 0.65 0.26 0.00 0.00 0.48 0.00 0.00 55.95 57.34 5req s SER 567 Cb -0.15 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.37 5req s SER 567 CO 0.55 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.16 5req n GLY 568 N 2.27 0.57 0.09 7.32 0.00 -1.26 -4.94 105.19 109.25 5req n GLY 568 Ca -0.17 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.29 5req n GLY 568 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 5req h VAL 569 N 0.00 1.02 0.34 1.61 2.07 -1.92 -3.31 116.25 116.07 5req h VAL 569 Ca -0.05 -2.11 -0.00 0.00 0.82 0.00 0.00 66.70 65.35 5req h VAL 569 Cb 0.31 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 5req h VAL 569 CO 0.08 0.35 -0.51 0.22 0.02 0.00 0.00 177.57 177.73 5req h TYR 570 N -1.00 -1.43 -0.04 1.57 3.20 -1.90 -1.44 116.97 115.94 5req h TYR 570 Ca -0.24 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.68 5req h TYR 570 Cb 1.16 0.58 -0.04 0.00 1.54 0.00 0.00 36.73 39.97 5req h TYR 570 CO 0.11 -0.64 -0.15 0.66 -1.64 0.00 0.00 178.16 176.50 5req h SER 571 N -0.90 -0.45 -0.25 -2.11 4.64 -1.92 -3.13 113.55 109.43 5req h SER 571 Ca -0.04 0.07 0.06 0.00 -0.47 0.00 0.00 61.79 61.42 5req h SER 571 Cb 0.82 0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 63.05 5req h SER 571 CO -0.15 -0.21 -0.17 0.50 -0.87 0.00 0.00 176.83 175.93 5req h LYS 572 N -0.24 -0.14 -0.07 4.77 3.64 -1.64 -3.30 116.57 119.60 5req h LYS 572 Ca 0.06 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 5req h LYS 572 Cb 0.32 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 5req h LYS 572 CO -0.17 -0.10 -0.05 1.49 -2.27 0.00 0.00 179.45 178.35 5req h GLU 573 N -0.15 -0.01 -3.68 1.90 4.57 -1.19 -3.23 114.58 112.79 5req h GLU 573 Ca 0.14 0.00 -0.72 0.00 -1.18 0.00 0.00 59.36 57.61 5req h GLU 573 Cb 0.36 0.00 -0.33 0.00 -0.16 0.00 0.00 28.75 28.62 5req h GLU 573 CO -0.35 -0.01 -0.28 0.08 -1.18 0.00 0.00 179.01 177.28 5req s VAL 574 N -3.21 4.09 1.23 0.32 1.01 -1.24 -5.02 120.40 117.58 5req s VAL 574 Ca -0.01 -2.82 -0.15 0.00 0.00 0.00 0.00 61.98 59.00 5req s VAL 574 Cb 0.01 -3.63 0.30 0.00 0.00 0.00 0.00 36.38 33.06 5req s VAL 574 CO 0.05 -0.90 1.01 -0.54 0.00 0.00 0.00 175.10 174.72 5req s LYS 575 N 0.04 -1.41 -0.04 2.72 1.02 -1.22 -4.47 119.74 116.37 5req s LYS 575 Ca 0.17 0.59 -0.02 0.00 0.02 0.00 0.00 55.97 56.73 5req s LYS 575 Cb -0.19 -1.52 0.00 0.00 -0.52 0.00 0.00 37.83 35.61 5req s LYS 575 CO -0.04 -3.99 0.04 0.27 -0.92 0.00 0.00 175.35 170.71 5req n ASN 576 N -5.07 -0.36 -4.62 2.83 6.94 -1.26 -4.98 115.26 108.73 5req n ASN 576 Ca 0.05 -0.03 -0.33 0.00 -0.02 0.00 0.00 54.58 54.25 5req n ASN 576 Cb 0.56 -0.11 -0.10 0.00 -2.36 0.00 0.00 39.78 37.77 5req n ASN 576 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 5req s THR 577 N -0.73 3.86 0.23 5.53 2.01 -1.26 -5.05 115.64 120.23 5req s THR 577 Ca 0.02 -0.60 -0.05 0.00 0.31 0.00 0.00 61.69 61.37 5req s THR 577 Cb -0.00 -2.66 0.19 0.00 0.01 0.00 0.00 72.50 70.05 5req s THR 577 CO 0.06 0.47 1.78 -0.65 -0.69 0.00 0.00 174.62 175.59 5req h PRO 578 N 4.74 0.62 -0.12 4.92 0.11 -1.99 -2.49 132.00 137.78 5req h PRO 578 Ca -0.49 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 65.39 5req h PRO 578 Cb 1.17 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.15 5req h PRO 578 CO 0.54 0.41 -0.73 0.93 -0.21 0.00 0.00 178.00 178.95 5req h GLU 579 N 0.64 0.58 -0.37 1.05 3.07 -1.98 -2.71 114.58 114.86 5req h GLU 579 Ca 0.38 -0.46 0.01 0.00 -0.50 0.00 0.00 59.36 58.78 5req h GLU 579 Cb 0.41 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.39 5req h GLU 579 CO -0.28 1.08 0.23 0.28 -1.40 0.00 0.00 179.01 178.93 5req h VAL 580 N 0.40 1.07 -0.42 3.13 2.07 -1.85 -0.37 116.25 120.29 5req h VAL 580 Ca -0.03 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.20 5req h VAL 580 Cb 1.32 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 5req h VAL 580 CO 0.14 0.09 -0.24 -0.33 0.02 0.00 0.00 177.57 177.25 5req h GLU 581 N 0.47 0.89 -0.23 1.57 3.07 -1.52 0.39 114.58 119.23 5req h GLU 581 Ca 0.14 -0.41 0.01 0.00 -0.50 0.00 0.00 59.36 58.61 5req h GLU 581 Cb -0.03 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 5req h GLU 581 CO -0.05 1.06 0.13 1.49 -1.40 0.00 0.00 179.01 180.23 5req h GLU 582 N 0.72 0.26 -0.39 2.33 4.81 -1.33 -0.13 114.58 120.85 5req h GLU 582 Ca 0.09 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 5req h GLU 582 Cb 0.81 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 5req h GLU 582 CO 0.07 0.17 0.20 0.00 -0.73 0.00 0.00 179.01 178.72 5req h ALA 583 N 1.11 0.50 -0.11 2.92 0.00 -1.01 -1.13 119.26 121.54 5req h ALA 583 Ca 0.09 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.94 5req h ALA 583 Cb 0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 5req h ALA 583 CO -0.05 0.05 -0.13 0.00 0.00 0.00 0.00 179.25 179.12 5req h ARG 584 N 0.50 -0.16 -0.69 0.00 3.08 -0.60 -1.65 114.38 114.86 5req h ARG 584 Ca 0.14 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 5req h ARG 584 Cb 0.09 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 5req h ARG 584 CO -0.02 -0.11 0.32 0.93 -1.07 0.00 0.00 179.97 180.02 5req h GLU 585 N -0.16 0.99 -0.52 0.04 5.08 -0.90 -1.61 114.58 117.49 5req h GLU 585 Ca 0.08 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 5req h GLU 585 Cb 0.28 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 5req h GLU 585 CO -0.21 0.78 0.07 -0.07 -1.00 0.00 0.00 179.01 178.58 5req h LEU 586 N 0.99 0.79 -0.58 1.33 3.38 -1.07 -0.45 115.31 119.70 5req h LEU 586 Ca 0.24 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 5req h LEU 586 Cb 0.13 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 5req h LEU 586 CO -0.03 0.82 -0.06 0.58 0.09 0.00 0.00 178.44 179.84 5req h VAL 587 N 0.79 1.27 -0.60 1.22 2.07 -0.84 -1.54 116.25 118.61 5req h VAL 587 Ca 0.16 -1.23 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 5req h VAL 587 Cb 0.38 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 5req h VAL 587 CO 0.01 0.44 0.19 -0.33 0.02 0.00 0.00 177.57 177.90 5req h GLU 588 N 0.95 0.93 -0.60 1.57 5.08 -1.12 -2.37 114.58 119.02 5req h GLU 588 Ca 0.16 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 5req h GLU 588 Cb 0.63 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 5req h GLU 588 CO 0.04 0.83 0.30 0.93 -1.00 0.00 0.00 179.01 180.10 5req h GLU 589 N 0.85 0.85 -0.34 2.33 5.08 -0.95 -2.67 114.58 119.73 5req h GLU 589 Ca 0.20 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 5req h GLU 589 Cb 0.28 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 5req h GLU 589 CO -0.01 0.65 0.13 0.35 -1.00 0.00 0.00 179.01 179.13 5req h PHE 590 N 0.85 0.52 -0.31 4.33 3.04 -1.15 -1.88 116.94 122.33 5req h PHE 590 Ca 0.21 -0.04 0.02 0.00 3.98 0.00 0.00 57.97 62.14 5req h PHE 590 Cb 0.08 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.41 5req h PHE 590 CO 0.01 0.49 0.16 1.49 -2.02 0.00 0.00 178.31 178.44 5req h GLU 591 N 0.39 0.33 0.06 1.11 4.81 -1.10 0.21 114.58 120.38 5req h GLU 591 Ca 0.11 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 5req h GLU 591 Cb 0.19 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 5req h GLU 591 CO -0.01 0.22 -0.14 1.96 -0.73 0.00 0.00 179.01 180.31 5req h GLN 592 N 0.34 -0.25 -0.54 1.92 1.08 -1.45 0.38 115.11 116.58 5req h GLN 592 Ca 0.12 0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.26 5req h GLN 592 Cb 0.03 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 5req h GLN 592 CO -0.08 -0.17 0.01 0.00 -0.95 0.00 0.00 178.83 177.65 5req h ALA 593 N 0.64 0.73 0.00 3.87 0.00 -1.29 -3.36 119.26 119.85 5req h ALA 593 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.65 5req h ALA 593 Cb 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.88 5req h ALA 593 CO -0.09 0.54 -1.72 0.39 0.00 0.00 0.00 179.25 178.37 5req n GLU 594 N -4.28 0.60 -0.12 0.00 -0.58 0.72 -5.02 120.64 111.95 5req n GLU 594 Ca 0.02 -0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 5req n GLU 594 Cb 0.32 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 5req n GLU 594 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 5req n GLY 595 N 1.38 0.62 3.70 0.62 0.00 0.13 -5.02 105.19 106.62 5req n GLY 595 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 5req n GLY 595 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 5req s ARG 596 N -0.78 1.60 0.62 1.61 1.70 -1.21 -5.00 118.95 117.49 5req s ARG 596 Ca 0.00 -0.91 -0.14 0.00 -0.47 0.00 0.00 55.73 54.21 5req s ARG 596 Cb 0.00 0.57 -0.03 0.00 -0.57 0.00 0.00 34.95 34.93 5req s ARG 596 CO 0.00 -0.71 1.05 1.03 -1.08 0.00 0.00 175.30 175.58 5req s ARG 597 N -3.90 3.30 0.08 3.89 0.52 -1.26 -3.61 118.95 117.97 5req s ARG 597 Ca 0.10 1.07 -0.31 0.00 -0.52 0.00 0.00 55.73 56.07 5req s ARG 597 Cb -0.04 -2.04 -0.09 0.00 0.52 0.00 0.00 34.95 33.31 5req s ARG 597 CO 0.02 -0.81 1.79 -1.25 0.02 0.00 0.00 175.30 175.07 5req s PRO 598 N -4.44 4.16 -0.15 3.54 0.04 -1.26 -4.75 135.00 132.14 5req s PRO 598 Ca 0.61 2.50 -0.02 0.00 0.04 0.00 0.00 61.00 64.12 5req s PRO 598 Cb -0.14 -3.73 -0.02 0.00 0.04 0.00 0.00 34.50 30.65 5req s PRO 598 CO 0.43 -0.83 -0.07 0.50 0.04 0.00 0.00 177.00 177.06 5req s ARG 599 N 3.12 3.57 -0.03 4.56 3.52 -1.26 -0.80 118.95 131.63 5req s ARG 599 Ca 0.80 -0.58 0.03 0.00 -0.13 0.00 0.00 55.73 55.85 5req s ARG 599 Cb -0.43 -2.81 -0.00 0.00 -1.56 0.00 0.00 34.95 30.15 5req s ARG 599 CO 0.36 0.23 -0.13 -1.50 -0.81 0.00 0.00 175.30 173.45 5req s ILE 600 N 0.35 1.12 -0.35 4.11 2.07 -0.16 -0.95 121.20 127.39 5req s ILE 600 Ca -0.07 -0.55 -0.14 0.00 -1.41 0.00 0.00 60.65 58.49 5req s ILE 600 Cb -0.15 -0.97 -0.01 0.00 0.13 0.00 0.00 42.46 41.46 5req s ILE 600 CO 0.04 0.33 0.29 -0.22 -1.91 0.00 0.00 174.94 173.47 5req s LEU 601 N 0.11 4.60 -0.43 8.50 2.96 -0.73 -1.04 118.68 132.64 5req s LEU 601 Ca -0.03 -0.45 -0.22 0.00 -0.22 0.00 0.00 54.13 53.21 5req s LEU 601 Cb -0.10 -2.21 0.02 0.00 0.50 0.00 0.00 46.19 44.40 5req s LEU 601 CO 0.01 -0.31 0.72 -0.76 -1.32 0.00 0.00 176.35 174.69 5req s LEU 602 N 1.82 4.34 0.00 -0.68 1.43 -0.64 -0.18 118.68 124.78 5req s LEU 602 Ca 0.08 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 5req s LEU 602 Cb -0.17 -2.86 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 5req s LEU 602 CO 0.11 -0.83 -0.04 0.00 0.23 0.00 0.00 176.35 175.82 5req s ALA 603 N 3.05 3.12 -0.34 4.21 0.00 -0.22 -0.81 121.76 130.78 5req s ALA 603 Ca 0.27 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.26 5req s ALA 603 Cb -0.13 -1.21 0.09 0.00 0.00 0.00 0.00 23.12 21.87 5req s ALA 603 CO 0.20 0.63 0.05 0.15 0.00 0.00 0.00 175.76 176.79 5req s LYS 604 N -1.47 1.72 0.16 0.00 -0.14 -1.26 -1.26 119.74 117.49 5req s LYS 604 Ca 0.18 -1.77 0.06 0.00 -1.36 0.00 0.00 55.97 53.08 5req s LYS 604 Cb -0.11 -3.23 -0.04 0.00 -1.68 0.00 0.00 37.83 32.77 5req s LYS 604 CO 0.08 -0.90 0.06 -1.64 -0.76 0.00 0.00 175.35 172.20 5req s MET 605 N 0.98 2.64 2.58 1.68 -1.94 -1.26 -2.91 119.30 121.08 5req s MET 605 Ca 0.07 -0.96 0.00 0.00 -1.71 0.00 0.00 55.69 53.09 5req s MET 605 Cb -0.20 -2.51 0.00 0.00 2.01 0.00 0.00 34.83 34.13 5req s MET 605 CO -0.07 0.48 0.00 0.41 -0.01 0.00 0.00 175.02 175.83 5req n GLY 606 N -0.12 -0.79 0.01 -0.03 0.00 -0.16 -4.14 105.19 99.97 5req n GLY 606 Ca -0.09 -1.17 0.12 0.00 0.00 0.00 0.00 46.02 44.88 5req n GLY 606 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 5req n GLN 607 N 0.00 0.03 -1.50 1.61 1.13 -1.26 -3.85 117.38 113.54 5req n GLN 607 Ca 0.00 -0.02 -0.59 0.00 -1.94 0.00 0.00 57.00 54.45 5req n GLN 607 Cb 0.00 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 28.77 5req n GLN 607 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 5req n ASP 608 N -1.46 0.67 -0.73 1.08 -0.08 -1.26 -4.85 116.55 109.92 5req n ASP 608 Ca 0.06 1.07 0.08 0.00 -1.51 0.00 0.00 54.79 54.49 5req n ASP 608 Cb 0.34 -0.82 0.11 0.00 2.34 0.00 0.00 41.12 43.09 5req n ASP 608 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 5req n GLY 609 N 2.76 0.81 3.74 0.27 0.00 -1.26 -4.64 105.19 106.86 5req n GLY 609 Ca 0.24 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 5req n GLY 609 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 5req s HIS 610 N -1.28 3.02 0.00 1.61 3.76 -1.26 -4.67 115.29 116.47 5req s HIS 610 Ca 0.23 1.02 0.00 0.00 -0.15 0.00 0.00 55.06 56.16 5req s HIS 610 Cb 0.15 -3.82 0.00 0.00 1.11 0.00 0.00 32.58 30.02 5req s HIS 610 CO 0.21 -2.68 0.10 -0.40 -0.85 0.00 0.00 174.74 171.12 5req n ASP 611 N 2.38 0.13 0.15 1.40 5.68 -1.26 -4.85 116.55 120.18 5req n ASP 611 Ca 0.07 -1.01 -0.13 0.00 -0.50 0.00 0.00 54.79 53.22 5req n ASP 611 Cb 0.40 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.32 5req n ASP 611 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 5req h ARG 612 N 0.00 -0.44 -0.05 0.11 2.43 -1.93 0.00 114.38 114.51 5req h ARG 612 Ca 0.00 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 5req h ARG 612 Cb 0.48 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 5req h ARG 612 CO 0.00 -0.29 -0.16 0.78 -1.51 0.00 0.00 179.97 178.79 5req h GLY 613 N -0.45 -0.17 0.61 2.80 0.00 -1.98 -1.40 103.07 102.47 5req h GLY 613 Ca 0.00 0.19 0.06 0.00 0.00 0.00 0.00 47.33 47.58 5req h GLY 613 CO -0.06 -0.16 0.20 -1.61 0.00 0.00 0.00 176.54 174.92 5req h GLN 614 N -0.24 0.39 -0.02 4.80 4.15 -1.86 -1.26 115.11 121.07 5req h GLN 614 Ca 0.07 -0.02 -0.17 0.00 0.77 0.00 0.00 58.65 59.30 5req h GLN 614 Cb 0.34 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 5req h GLN 614 CO -0.19 0.26 -0.75 0.87 -1.93 0.00 0.00 178.83 177.08 5req h LYS 615 N 0.40 0.16 0.04 1.69 1.79 -0.95 -1.83 116.57 117.87 5req h LYS 615 Ca 0.23 -0.14 -0.22 0.00 -2.18 0.00 0.00 60.65 58.33 5req h LYS 615 Cb 0.20 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 5req h LYS 615 CO -0.21 0.83 -1.00 -0.24 -1.08 0.00 0.00 179.45 177.76 5req h VAL 616 N 0.10 1.51 -0.11 0.50 3.04 -1.06 -2.36 116.25 117.87 5req h VAL 616 Ca -0.02 -2.82 -0.00 0.00 -1.01 0.00 0.00 66.70 62.85 5req h VAL 616 Cb 1.32 2.64 -0.01 0.00 -2.01 0.00 0.00 31.29 33.23 5req h VAL 616 CO 0.11 0.82 0.06 0.40 -1.01 0.00 0.00 177.57 177.95 5req h ILE 617 N 0.10 1.09 -0.31 3.17 1.08 -1.32 -2.15 117.51 119.18 5req h ILE 617 Ca -0.07 -0.26 0.07 0.00 -0.39 0.00 0.00 64.86 64.21 5req h ILE 617 Cb 1.67 1.06 -0.07 0.00 -3.07 0.00 0.00 36.82 36.41 5req h ILE 617 CO 0.16 0.08 -0.12 0.00 -0.69 0.00 0.00 178.15 177.58 5req h ALA 618 N 0.96 0.14 -0.10 1.87 0.00 -1.24 -0.70 119.26 120.19 5req h ALA 618 Ca 0.04 0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.84 5req h ALA 618 Cb 0.08 0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.19 5req h ALA 618 CO -0.01 -0.51 -0.84 0.00 0.00 0.00 0.00 179.25 177.89 5req h THR 619 N -0.07 1.30 -0.24 0.00 1.03 -1.44 -2.26 112.91 111.23 5req h THR 619 Ca 0.16 -2.09 -0.16 0.00 -0.01 0.00 0.00 66.41 64.30 5req h THR 619 Cb 0.30 2.12 -0.01 0.00 -1.07 0.00 0.00 68.15 69.50 5req h THR 619 CO -0.35 0.65 -0.49 0.00 -0.01 0.00 0.00 175.52 175.32 5req h ALA 620 N 0.59 0.69 -0.04 0.00 0.00 -1.35 -2.05 119.26 117.09 5req h ALA 620 Ca -0.07 -0.49 -0.17 0.00 0.00 0.00 0.00 54.91 54.19 5req h ALA 620 Cb 1.47 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 5req h ALA 620 CO 0.17 0.67 -0.70 1.88 0.00 0.00 0.00 179.25 181.27 5req h TYR 621 N 0.52 0.31 -0.24 0.00 -1.99 -1.21 -2.60 116.97 111.77 5req h TYR 621 Ca 0.03 -0.14 -0.10 0.00 2.00 0.00 0.00 58.73 60.52 5req h TYR 621 Cb 1.04 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 39.71 5req h TYR 621 CO 0.05 0.86 -0.29 0.00 -0.00 0.00 0.00 178.16 178.78 5req h ALA 622 N 1.11 1.06 0.00 3.88 0.00 -1.27 -1.63 119.26 122.41 5req h ALA 622 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.53 5req h ALA 622 Cb 1.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.93 5req h ALA 622 CO 0.11 0.57 0.00 -0.44 0.00 0.00 0.00 179.25 179.49 5req h ASP 623 N 0.41 0.00 0.10 0.00 3.32 -1.32 -2.97 116.42 115.96 5req h ASP 623 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 5req h ASP 623 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 5req h ASP 623 CO 0.05 0.00 -0.24 0.18 -1.72 0.00 0.00 179.24 177.51 5req n LEU 624 N -3.00 1.56 0.00 1.55 4.77 -0.98 -4.96 117.00 115.94 5req n LEU 624 Ca 0.01 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 5req n LEU 624 Cb 0.30 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 5req n LEU 624 CO 0.27 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 5req n GLY 625 N 1.33 0.78 3.80 -0.72 0.00 -1.09 -4.40 105.19 104.89 5req n GLY 625 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 5req n GLY 625 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 5req s PHE 626 N -2.00 2.93 -0.45 1.61 0.40 -0.65 -4.60 117.98 115.23 5req s PHE 626 Ca 0.00 1.51 -0.18 0.00 -0.60 0.00 0.00 56.93 57.67 5req s PHE 626 Cb 0.00 -3.03 0.03 0.00 0.51 0.00 0.00 43.02 40.54 5req s PHE 626 CO 0.00 -1.22 0.48 -0.51 0.70 0.00 0.00 175.22 174.67 5req s ASP 627 N -2.83 6.20 -0.24 1.36 1.01 0.02 -4.40 116.67 117.79 5req s ASP 627 Ca 0.64 -0.78 -0.09 0.00 0.71 0.00 0.00 52.55 53.02 5req s ASP 627 Cb -0.17 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 5req s ASP 627 CO 0.39 -0.66 0.12 -0.69 0.21 0.00 0.00 175.17 174.54 5req s VAL 628 N 2.21 4.94 -0.26 -1.27 1.01 -1.26 -0.98 120.40 124.79 5req s VAL 628 Ca 0.12 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 5req s VAL 628 Cb -0.18 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 5req s VAL 628 CO 0.13 0.34 0.16 -1.81 0.00 0.00 0.00 175.10 173.92 5req s ASP 629 N 1.24 5.91 -0.45 3.32 1.01 -0.21 -4.99 116.67 122.50 5req s ASP 629 Ca 0.06 0.00 -0.22 0.00 0.71 0.00 0.00 52.55 53.10 5req s ASP 629 Cb -0.14 -2.08 0.03 0.00 1.01 0.00 0.00 42.92 41.73 5req s ASP 629 CO 0.05 -0.01 0.73 -0.69 0.21 0.00 0.00 175.17 175.47 5req s VAL 630 N 1.49 4.71 0.65 -1.27 1.01 -1.26 -1.62 120.40 124.11 5req s VAL 630 Ca 0.07 0.31 -0.16 0.00 0.00 0.00 0.00 61.98 62.20 5req s VAL 630 Cb -0.15 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 5req s VAL 630 CO 0.08 -0.68 1.16 -0.83 0.00 0.00 0.00 175.10 174.83 5req s GLY 631 N 2.09 2.39 0.48 4.51 0.00 0.01 -4.96 107.32 111.84 5req s GLY 631 Ca 0.27 0.76 -0.20 0.00 0.00 0.00 0.00 44.72 45.55 5req s GLY 631 CO 0.21 1.14 1.02 2.56 0.00 0.00 0.00 173.10 178.03 5req s PRO 632 N -3.78 3.84 1.05 2.90 0.04 -1.26 -4.73 135.00 133.07 5req s PRO 632 Ca 0.72 1.29 -0.12 0.00 0.04 0.00 0.00 61.00 62.93 5req s PRO 632 Cb -0.25 -2.11 0.22 0.00 0.04 0.00 0.00 34.50 32.40 5req s PRO 632 CO 0.39 -0.38 1.07 -0.51 0.04 0.00 0.00 177.00 177.60 5req s LEU 633 N -3.53 1.42 -1.98 -3.56 1.43 -1.26 -4.09 118.68 107.12 5req s LEU 633 Ca 0.66 1.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 5req s LEU 633 Cb -0.15 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.54 5req s LEU 633 CO 0.20 -3.53 0.00 0.49 0.23 0.00 0.00 176.35 173.74 5req n PHE 634 N -4.46 -0.47 -2.37 0.29 3.72 -1.25 -5.02 117.46 107.90 5req n PHE 634 Ca 0.05 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.06 5req n PHE 634 Cb 0.55 -3.67 -0.03 0.00 -0.94 0.00 0.00 39.48 35.39 5req n PHE 634 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 5req s GLN 635 N -4.36 4.29 0.81 -1.08 -0.21 -1.14 -4.58 119.66 113.38 5req s GLN 635 Ca 0.00 1.82 -0.12 0.00 0.02 0.00 0.00 55.36 57.08 5req s GLN 635 Cb 0.00 -2.86 0.07 0.00 1.00 0.00 0.00 33.01 31.23 5req s GLN 635 CO 0.00 -0.11 1.12 0.95 -2.12 0.00 0.00 175.29 175.13 5req s THR 636 N -1.34 2.74 0.33 -0.19 -4.23 -1.26 -0.99 115.64 110.70 5req s THR 636 Ca 0.52 0.24 0.04 0.00 -1.18 0.00 0.00 61.69 61.31 5req s THR 636 Cb -0.31 -3.08 0.29 0.00 1.34 0.00 0.00 72.50 70.74 5req s THR 636 CO 0.39 -0.32 1.93 -0.65 -0.54 0.00 0.00 174.62 175.43 5req h PRO 637 N -1.08 0.84 -0.42 3.99 0.11 -1.94 -1.06 132.00 132.44 5req h PRO 637 Ca -0.47 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.45 5req h PRO 637 Cb 1.29 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 5req h PRO 637 CO 0.62 0.56 -0.30 1.49 -0.21 0.00 0.00 178.00 180.16 5req h GLU 638 N 0.87 0.93 -0.12 1.05 4.81 -1.93 -1.30 114.58 118.89 5req h GLU 638 Ca 0.36 -0.45 0.01 0.00 -0.13 0.00 0.00 59.36 59.15 5req h GLU 638 Cb 0.29 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 5req h GLU 638 CO -0.14 1.11 0.06 0.93 -0.73 0.00 0.00 179.01 180.24 5req h GLU 639 N 0.76 0.13 -0.24 1.92 5.08 -1.80 -0.80 114.58 119.63 5req h GLU 639 Ca 0.08 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 5req h GLU 639 Cb 0.88 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.07 5req h GLU 639 CO 0.08 0.09 0.01 1.15 -1.00 0.00 0.00 179.01 179.33 5req h THR 640 N 0.13 0.84 0.04 1.13 2.02 -1.12 -0.89 112.91 115.06 5req h THR 640 Ca 0.05 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.21 5req h THR 640 Cb 0.01 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 5req h THR 640 CO -0.03 0.02 -0.08 0.00 0.37 0.00 0.00 175.52 175.79 5req h ALA 641 N 1.20 -0.12 -0.42 6.16 0.00 -1.05 -1.02 119.26 124.00 5req h ALA 641 Ca 0.11 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.10 5req h ALA 641 Cb 0.14 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 5req h ALA 641 CO -0.18 -0.59 -0.04 -0.09 0.00 0.00 0.00 179.25 178.35 5req h ARG 642 N -0.16 0.06 -0.76 0.00 2.43 -0.92 -0.33 114.38 114.70 5req h ARG 642 Ca 0.02 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 5req h ARG 642 Cb 0.18 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 5req h ARG 642 CO -0.06 0.04 0.49 0.37 -1.51 0.00 0.00 179.97 179.31 5req h GLN 643 N 0.07 1.01 0.07 0.20 4.15 -1.07 -0.88 115.11 118.66 5req h GLN 643 Ca 0.20 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.56 5req h GLN 643 Cb 0.30 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 5req h GLN 643 CO -0.37 0.68 -0.08 0.00 -1.93 0.00 0.00 178.83 177.13 5req h ALA 644 N 1.27 -0.14 -0.16 3.38 0.00 -0.54 -2.16 119.26 120.92 5req h ALA 644 Ca 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 5req h ALA 644 Cb -0.10 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 5req h ALA 644 CO -0.06 -0.59 0.08 0.28 0.00 0.00 0.00 179.25 178.96 5req h VAL 645 N -0.17 1.12 -0.37 0.00 2.07 -0.86 -1.73 116.25 116.31 5req h VAL 645 Ca 0.01 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.21 5req h VAL 645 Cb 0.17 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 5req h VAL 645 CO -0.02 0.11 0.25 -0.33 0.02 0.00 0.00 177.57 177.59 5req h GLU 646 N 0.13 0.36 0.00 1.57 5.08 -1.14 -1.02 114.58 119.56 5req h GLU 646 Ca 0.05 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 5req h GLU 646 Cb 0.11 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.28 5req h GLU 646 CO -0.01 0.24 -0.52 0.00 -1.00 0.00 0.00 179.01 177.72 5req n ALA 647 N -2.51 3.32 -3.50 3.43 0.00 -0.82 -5.00 120.51 115.44 5req n ALA 647 Ca 0.04 -0.31 -0.20 0.00 0.00 0.00 0.00 53.44 52.96 5req n ALA 647 Cb 0.17 -1.15 0.06 0.00 0.00 0.00 0.00 19.45 18.53 5req n ALA 647 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 5req n ASP 648 N -1.66 -3.64 -4.87 0.00 2.03 -0.39 -4.97 116.55 103.04 5req n ASP 648 Ca 0.05 -0.77 -0.30 0.00 0.52 0.00 0.00 54.79 54.29 5req n ASP 648 Cb 0.36 -4.55 0.05 0.00 -0.72 0.00 0.00 41.12 36.26 5req n ASP 648 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 5req s VAL 649 N -3.48 3.38 -0.06 5.18 -7.23 -1.10 -4.95 120.40 112.14 5req s VAL 649 Ca 0.21 0.45 0.13 0.00 -1.81 0.00 0.00 61.98 60.96 5req s VAL 649 Cb -0.04 -3.41 -0.17 0.00 0.56 0.00 0.00 36.38 33.32 5req s VAL 649 CO 0.78 -0.59 0.88 0.45 -0.31 0.00 0.00 175.10 176.31 5req h HIS 650 N -0.72 0.00 -2.70 2.82 -0.00 -1.42 -3.45 115.15 109.68 5req h HIS 650 Ca -0.45 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 59.80 5req h HIS 650 Cb 1.26 0.00 -0.23 0.00 -0.00 0.00 0.00 27.41 28.43 5req h HIS 650 CO 0.49 0.81 -0.21 0.54 -0.00 0.00 0.00 177.93 179.56 5req s VAL 651 N -2.76 0.00 -0.35 2.45 0.11 -1.17 -1.42 120.40 117.26 5req s VAL 651 Ca -0.02 -0.03 -0.13 0.00 -2.93 0.00 0.00 61.98 58.86 5req s VAL 651 Cb 0.08 -0.61 -0.01 0.00 -1.53 0.00 0.00 36.38 34.31 5req s VAL 651 CO 0.81 -0.02 0.26 -0.69 -3.33 0.00 0.00 175.10 172.14 5req s VAL 652 N 0.09 5.27 -1.06 2.04 1.01 0.30 -1.77 120.40 126.28 5req s VAL 652 Ca -0.01 -0.25 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 5req s VAL 652 Cb -0.03 -3.76 0.17 0.00 0.00 0.00 0.00 36.38 32.76 5req s VAL 652 CO 0.01 -0.06 1.22 -0.83 0.00 0.00 0.00 175.10 175.44 5req s GLY 653 N 1.72 2.34 0.20 4.51 0.00 0.75 -1.24 107.32 115.60 5req s GLY 653 Ca 0.07 -3.19 -0.31 0.00 0.00 0.00 0.00 44.72 41.29 5req s GLY 653 CO 0.11 1.88 1.46 0.14 0.00 0.00 0.00 173.10 176.69 5req s VAL 654 N 1.56 2.80 -0.33 1.40 1.01 -0.46 -1.05 120.40 125.33 5req s VAL 654 Ca 0.35 0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.99 5req s VAL 654 Cb -0.05 -3.40 0.09 0.00 0.00 0.00 0.00 36.38 33.02 5req s VAL 654 CO -0.05 0.08 0.04 -0.55 0.00 0.00 0.00 175.10 174.62 5req s SER 655 N 0.70 4.79 -0.19 3.32 0.15 -0.39 -0.64 113.70 121.45 5req s SER 655 Ca 0.63 -1.99 0.01 0.00 0.70 0.00 0.00 55.95 55.30 5req s SER 655 Cb -0.41 -1.65 0.02 0.00 -1.71 0.00 0.00 66.02 62.28 5req s SER 655 CO 0.37 -0.37 -0.18 -0.55 1.20 0.00 0.00 173.24 173.71 5req s SER 656 N 1.07 3.22 0.00 5.45 0.15 0.80 -4.62 113.70 119.77 5req s SER 656 Ca 0.07 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 56.01 5req s SER 656 Cb -0.20 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 5req s SER 656 CO -0.07 -0.03 0.31 0.18 1.20 0.00 0.00 173.24 174.84 5req n LEU 657 N 4.62 0.52 -1.12 3.45 4.32 -1.26 -1.98 117.00 125.55 5req n LEU 657 Ca -0.20 -0.52 0.11 0.00 -0.02 0.00 0.00 56.01 55.38 5req n LEU 657 Cb 0.49 0.00 0.26 0.00 -1.62 0.00 0.00 43.42 42.55 5req n LEU 657 CO 0.25 0.13 0.73 0.00 -1.22 0.00 0.00 177.39 177.28 5req n ALA 658 N -0.04 2.42 -0.94 -1.18 0.00 -1.26 -4.78 120.51 114.73 5req n ALA 658 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.44 5req n ALA 658 Cb 0.18 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.71 5req n ALA 658 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 5req n GLY 659 N 1.49 0.48 1.36 0.00 0.00 -1.26 -4.47 105.19 102.78 5req n GLY 659 Ca 0.20 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.83 5req n GLY 659 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5req n GLY 660 N -2.94 3.27 0.28 -0.02 0.00 -1.26 -4.67 105.19 99.84 5req n GLY 660 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 46.02 45.14 5req n GLY 660 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 5req h HIS 661 N 3.10 0.51 0.00 1.61 -0.00 -1.93 -2.08 115.15 116.37 5req h HIS 661 Ca 0.00 -0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.29 5req h HIS 661 Cb 1.55 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 28.80 5req h HIS 661 CO 0.73 0.45 -0.26 -0.07 -0.00 0.00 0.00 177.93 178.78 5req h LEU 662 N 0.50 0.00 0.07 6.12 3.38 -1.97 -1.67 115.31 121.74 5req h LEU 662 Ca 0.12 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.72 5req h LEU 662 Cb 0.19 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 5req h LEU 662 CO -0.00 0.26 -2.12 0.35 0.09 0.00 0.00 178.44 177.01 5req n THR 663 N -4.08 1.67 -0.15 0.22 -2.24 -1.13 -4.57 114.28 103.98 5req n THR 663 Ca -0.02 -0.66 -0.11 0.00 -2.27 0.00 0.00 64.05 60.99 5req n THR 663 Cb 0.32 -1.52 -0.01 0.00 -2.10 0.00 0.00 70.33 67.03 5req n THR 663 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 5req h LEU 664 N 0.04 0.90 -0.11 3.22 3.38 -1.32 -3.04 115.31 118.38 5req h LEU 664 Ca -0.46 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.13 5req h LEU 664 Cb 2.01 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 42.51 5req h LEU 664 CO 0.04 1.06 0.00 0.58 0.09 0.00 0.00 178.44 180.20 5req h VAL 665 N 0.73 1.25 -0.74 1.22 2.07 -1.56 -2.31 116.25 116.90 5req h VAL 665 Ca 0.11 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 5req h VAL 665 Cb 0.67 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 5req h VAL 665 CO 0.05 0.23 0.33 1.55 0.02 0.00 0.00 177.57 179.75 5req h PRO 666 N -0.08 1.09 -0.60 1.57 0.13 -1.75 -1.65 132.00 130.72 5req h PRO 666 Ca 0.03 -0.18 0.01 0.00 -0.87 0.00 0.00 66.00 64.99 5req h PRO 666 Cb 0.35 -0.19 -0.03 0.00 0.13 0.00 0.00 31.00 31.26 5req h PRO 666 CO 0.01 0.87 0.39 0.00 -0.23 0.00 0.00 178.00 179.04 5req h ALA 667 N 1.16 0.76 -0.24 -0.56 0.00 -1.52 -1.88 119.26 116.99 5req h ALA 667 Ca 0.25 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.15 5req h ALA 667 Cb 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 5req h ALA 667 CO -0.03 0.18 0.07 1.25 0.00 0.00 0.00 179.25 180.72 5req h LEU 668 N 0.80 0.06 -0.44 0.00 6.46 -1.03 -1.71 115.31 119.45 5req h LEU 668 Ca 0.22 0.03 0.04 0.00 -0.12 0.00 0.00 57.88 58.05 5req h LEU 668 Cb -0.08 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 39.84 5req h LEU 668 CO -0.06 0.06 0.22 -0.09 -0.62 0.00 0.00 178.44 177.96 5req h ARG 669 N 0.17 0.42 -0.35 1.25 9.65 -1.04 -1.64 114.38 122.85 5req h ARG 669 Ca 0.10 -0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 58.88 5req h ARG 669 Cb 0.09 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 5req h ARG 669 CO -0.12 0.28 -0.12 0.87 2.80 0.00 0.00 179.97 183.67 5req h LYS 670 N 0.43 0.61 -0.27 0.20 1.57 -1.27 -2.50 116.57 115.34 5req h LYS 670 Ca 0.19 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 5req h LYS 670 Cb 0.10 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 5req h LYS 670 CO -0.14 0.72 -0.19 0.93 -0.57 0.00 0.00 179.45 180.20 5req h GLU 671 N 0.56 0.60 -0.37 3.15 4.39 -1.04 -0.80 114.58 121.07 5req h GLU 671 Ca 0.10 -0.29 0.03 0.00 0.34 0.00 0.00 59.36 59.54 5req h GLU 671 Cb 0.54 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 5req h GLU 671 CO 0.03 0.87 0.19 -0.07 -1.16 0.00 0.00 179.01 178.87 5req h LEU 672 N 0.33 0.28 -0.56 1.33 3.38 -1.27 -1.46 115.31 117.35 5req h LEU 672 Ca 0.05 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.05 5req h LEU 672 Cb 0.73 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 5req h LEU 672 CO 0.05 0.20 0.37 0.44 0.09 0.00 0.00 178.44 179.59 5req h ASP 673 N 0.38 0.63 0.25 -0.43 5.19 -1.47 -1.77 116.42 119.20 5req h ASP 673 Ca 0.15 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.51 5req h ASP 673 Cb 0.06 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.41 5req h ASP 673 CO -0.10 0.46 -0.18 0.50 -3.12 0.00 0.00 179.24 176.80 5req h LYS 674 N 0.75 0.00 -0.32 3.56 3.64 -0.61 -2.63 116.57 120.96 5req h LYS 674 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 5req h LYS 674 Cb -0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 5req h LYS 674 CO -0.05 0.18 0.00 1.28 -2.27 0.00 0.00 179.45 178.59 5req n LEU 675 N -4.07 1.46 0.00 5.20 4.77 -0.60 -4.92 117.00 118.84 5req n LEU 675 Ca -0.02 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 5req n LEU 675 Cb 0.25 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 5req n LEU 675 CO 0.34 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 5req n GLY 676 N 0.82 0.46 2.46 -0.72 0.00 -0.99 -5.02 105.19 102.21 5req n GLY 676 Ca 0.08 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 5req n GLY 676 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5req n ARG 677 N -2.01 0.67 0.04 1.61 5.12 -0.67 -4.92 116.66 116.49 5req n ARG 677 Ca 0.00 -3.49 0.13 0.00 -1.93 0.00 0.00 57.85 52.56 5req n ARG 677 Cb 0.22 -1.75 0.48 0.00 -1.16 0.00 0.00 32.46 30.25 5req n ARG 677 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 5req n PRO 678 N 2.40 0.12 0.17 5.56 -0.04 -1.26 -2.76 135.00 139.19 5req n PRO 678 Ca 0.27 0.09 0.04 0.00 -0.04 0.00 0.00 63.50 63.86 5req n PRO 678 Cb 0.46 -1.63 0.22 0.00 -0.04 0.00 0.00 33.50 32.51 5req n PRO 678 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 5req h ASP 679 N 0.00 0.00 -2.81 3.54 2.03 -1.95 -3.44 116.42 113.80 5req h ASP 679 Ca 0.00 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.74 5req h ASP 679 Cb 0.61 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.08 5req h ASP 679 CO 0.00 0.44 0.97 -0.63 -1.03 0.00 0.00 179.24 178.98 5req s ILE 680 N -3.36 4.03 0.58 4.15 1.01 -1.11 -4.91 121.20 121.59 5req s ILE 680 Ca 0.01 1.25 -0.08 0.00 0.00 0.00 0.00 60.65 61.83 5req s ILE 680 Cb 0.10 -3.81 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 5req s ILE 680 CO 0.71 -0.11 0.94 -0.76 0.00 0.00 0.00 174.94 175.72 5req s LEU 681 N 3.67 3.32 -0.08 2.97 1.43 -0.51 -4.89 118.68 124.59 5req s LEU 681 Ca 0.61 1.11 0.04 0.00 -1.03 0.00 0.00 54.13 54.86 5req s LEU 681 Cb -0.26 -4.06 -0.00 0.00 0.03 0.00 0.00 46.19 41.90 5req s LEU 681 CO 0.20 -0.87 -0.23 -0.63 0.23 0.00 0.00 176.35 175.05 5req s ILE 682 N -3.03 1.95 0.16 -0.59 1.01 -1.26 -0.54 121.20 118.90 5req s ILE 682 Ca 0.53 -0.97 0.09 0.00 0.00 0.00 0.00 60.65 60.30 5req s ILE 682 Cb -0.11 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 5req s ILE 682 CO 0.49 0.54 -0.12 0.42 0.00 0.00 0.00 174.94 176.27 5req s THR 683 N 0.23 3.08 -0.08 2.92 -4.23 -0.37 -0.82 115.64 116.37 5req s THR 683 Ca -0.14 -1.61 0.03 0.00 -1.18 0.00 0.00 61.69 58.79 5req s THR 683 Cb -0.16 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.20 5req s THR 683 CO 0.07 -0.04 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.26 5req s VAL 684 N -1.53 1.46 0.30 2.29 1.01 -0.48 -1.35 120.40 122.11 5req s VAL 684 Ca 0.23 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.59 5req s VAL 684 Cb -0.09 -1.31 -0.06 0.00 0.00 0.00 0.00 36.38 34.92 5req s VAL 684 CO 0.14 0.43 0.04 -0.83 0.00 0.00 0.00 175.10 174.88 5req s GLY 685 N 0.66 1.95 0.00 4.51 0.00 0.19 -1.45 107.32 113.18 5req s GLY 685 Ca -0.14 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 42.59 5req s GLY 685 CO 0.04 -1.78 0.00 0.61 0.00 0.00 0.00 173.10 171.97 5req n GLY 686 N -0.62 0.20 3.47 0.20 0.00 -0.75 -0.14 105.19 107.56 5req n GLY 686 Ca -0.03 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 5req n GLY 686 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5req s VAL 687 N 0.00 4.33 -0.22 1.61 1.01 -0.84 -3.99 120.40 122.31 5req s VAL 687 Ca 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 5req s VAL 687 Cb 0.00 -4.77 0.07 0.00 0.00 0.00 0.00 36.38 31.67 5req s VAL 687 CO 0.00 -1.56 0.03 -0.63 0.00 0.00 0.00 175.10 172.94 5req s ILE 688 N 3.96 0.71 0.67 2.22 1.01 -1.26 -4.68 121.20 123.83 5req s ILE 688 Ca 0.29 -0.78 -0.17 0.00 0.00 0.00 0.00 60.65 59.99 5req s ILE 688 Cb -0.11 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 5req s ILE 688 CO 0.03 -0.27 0.99 -2.65 0.00 0.00 0.00 174.94 173.04 5req n PRO 689 N 4.97 0.71 0.22 2.79 -0.02 -1.26 -4.91 135.00 137.49 5req n PRO 689 Ca -0.08 0.29 0.10 0.00 -2.02 0.00 0.00 63.50 61.78 5req n PRO 689 Cb 0.46 -2.22 0.46 0.00 -0.02 0.00 0.00 33.50 32.17 5req n PRO 689 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 5req h GLU 690 N 0.10 0.00 -0.67 -0.52 4.57 -1.97 -2.84 114.58 113.24 5req h GLU 690 Ca -0.48 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 57.78 5req h GLU 690 Cb 1.35 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.90 5req h GLU 690 CO 0.49 0.24 0.44 1.96 -1.18 0.00 0.00 179.01 180.96 5req h GLN 691 N 0.00 0.58 -0.01 1.92 7.50 -1.97 -3.01 115.11 120.13 5req h GLN 691 Ca -0.00 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.11 5req h GLN 691 Cb 0.74 -0.13 0.00 0.00 0.05 0.00 0.00 27.48 28.14 5req h GLN 691 CO 0.03 0.39 -0.05 -0.25 -1.50 0.00 0.00 178.83 177.45 5req n ASP 692 N -4.48 0.73 -0.16 1.46 8.00 -1.07 -4.45 116.55 116.57 5req n ASP 692 Ca 0.10 -1.04 -0.11 0.00 0.71 0.00 0.00 54.79 54.46 5req n ASP 692 Cb 0.30 -0.02 -0.00 0.00 -0.02 0.00 0.00 41.12 41.38 5req n ASP 692 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 5req h PHE 693 N 1.07 1.05 -0.20 1.24 -1.00 -1.65 -2.44 116.94 115.01 5req h PHE 693 Ca 0.00 -0.23 -0.00 0.00 2.81 0.00 0.00 57.97 60.54 5req h PHE 693 Cb 0.31 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 5req h PHE 693 CO 0.00 1.02 0.11 -0.44 -1.61 0.00 0.00 178.31 177.39 5req h ASP 694 N 0.77 0.25 -0.55 2.17 5.19 -1.81 -2.00 116.42 120.45 5req h ASP 694 Ca 0.12 -0.10 -0.08 0.00 -0.62 0.00 0.00 57.03 56.35 5req h ASP 694 Cb 0.70 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.12 5req h ASP 694 CO 0.05 0.28 0.04 -0.08 -3.12 0.00 0.00 179.24 176.41 5req h GLU 695 N 0.21 0.94 -0.78 3.56 4.81 -1.85 -2.86 114.58 118.62 5req h GLU 695 Ca 0.07 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 5req h GLU 695 Cb 0.08 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 5req h GLU 695 CO -0.01 0.93 0.45 -0.07 -0.73 0.00 0.00 179.01 179.58 5req h LEU 696 N 0.83 0.95 -1.09 1.64 3.38 -1.35 -1.27 115.31 118.39 5req h LEU 696 Ca 0.16 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 5req h LEU 696 Cb 0.48 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 5req h LEU 696 CO 0.02 0.75 -0.07 0.03 0.09 0.00 0.00 178.44 179.26 5req h ARG 697 N 1.07 0.56 0.00 1.13 3.08 -1.31 -1.41 114.38 117.50 5req h ARG 697 Ca 0.28 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 5req h ARG 697 Cb -0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 5req h ARG 697 CO -0.05 0.64 -0.18 0.87 -1.07 0.00 0.00 179.97 180.18 5req h LYS 698 N 0.52 0.00 0.00 0.04 1.57 -1.27 -3.03 116.57 114.40 5req h LYS 698 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 5req h LYS 698 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 5req h LYS 698 CO 0.02 0.18 0.00 -0.44 -0.57 0.00 0.00 179.45 178.64 5req h ASP 699 N 0.00 0.00 0.00 0.86 3.32 -0.66 -3.47 116.42 116.47 5req h ASP 699 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 5req h ASP 699 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 5req h ASP 699 CO 0.02 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.15 5req n GLY 700 N 0.86 0.57 3.64 2.75 0.00 -0.83 -4.31 105.19 107.87 5req n GLY 700 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 5req n GLY 700 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5req s ALA 701 N -0.82 3.39 -0.12 4.61 0.00 -0.59 -4.15 121.76 124.08 5req s ALA 701 Ca 0.00 0.61 0.16 0.00 0.00 0.00 0.00 51.96 52.73 5req s ALA 701 Cb 0.00 -3.81 -0.08 0.00 0.00 0.00 0.00 23.12 19.24 5req s ALA 701 CO 0.00 -1.75 1.05 -0.39 0.00 0.00 0.00 175.76 174.68 5req h VAL 702 N 5.95 0.69 -3.71 0.00 -1.51 -1.30 -3.37 116.25 112.99 5req h VAL 702 Ca -0.35 -2.15 -0.19 0.00 -1.23 0.00 0.00 66.70 62.78 5req h VAL 702 Cb 1.16 2.21 -0.25 0.00 -2.13 0.00 0.00 31.29 32.28 5req h VAL 702 CO 0.98 0.39 -0.65 -1.61 -1.23 0.00 0.00 177.57 175.45 5req s GLU 703 N -2.92 0.20 -0.15 5.19 0.41 -1.26 -5.06 118.70 115.11 5req s GLU 703 Ca -0.00 -0.21 -0.00 0.00 -0.41 0.00 0.00 54.97 54.35 5req s GLU 703 Cb 0.08 0.08 0.03 0.00 -1.78 0.00 0.00 34.13 32.54 5req s GLU 703 CO 0.79 -0.04 -0.07 0.42 -0.49 0.00 0.00 175.26 175.87 5req s ILE 704 N -0.63 1.15 -0.27 -1.63 1.01 -1.26 -1.38 121.20 118.20 5req s ILE 704 Ca -0.07 -0.52 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 5req s ILE 704 Cb -0.04 -1.23 0.03 0.00 0.01 0.00 0.00 42.46 41.23 5req s ILE 704 CO -0.00 0.26 -0.04 -0.31 0.00 0.00 0.00 174.94 174.85 5req s TYR 705 N 1.64 3.14 0.55 3.97 2.02 -0.53 -5.01 117.35 123.12 5req s TYR 705 Ca 0.03 -1.66 0.08 0.00 -0.37 0.00 0.00 57.07 55.14 5req s TYR 705 Cb -0.14 -2.07 0.07 0.00 -0.40 0.00 0.00 41.96 39.41 5req s TYR 705 CO -0.08 -0.75 0.75 0.95 -1.57 0.00 0.00 175.55 174.85 5req s THR 706 N 1.30 2.39 0.29 -0.71 -4.23 -1.26 -1.81 115.64 111.60 5req s THR 706 Ca -0.02 -0.94 -0.30 0.00 -1.18 0.00 0.00 61.69 59.25 5req s THR 706 Cb -0.18 -2.44 -0.13 0.00 1.34 0.00 0.00 72.50 71.09 5req s THR 706 CO -0.03 0.00 1.31 -2.65 -0.54 0.00 0.00 174.62 172.70 5req n PRO 707 N -2.20 1.97 0.00 3.99 -0.02 -1.26 -2.20 135.00 135.28 5req n PRO 707 Ca 0.13 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 5req n PRO 707 Cb 0.61 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 5req n PRO 707 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 5req n GLY 708 N 1.47 0.77 3.62 -1.23 0.00 -1.26 -4.77 105.19 103.78 5req n GLY 708 Ca 0.09 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.61 5req n GLY 708 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 5req n THR 709 N -1.76 0.01 -2.81 2.61 -1.04 -0.93 -4.95 114.28 105.40 5req n THR 709 Ca 0.00 -0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.59 5req n THR 709 Cb 0.00 -1.11 -0.03 0.00 -1.82 0.00 0.00 70.33 67.36 5req n THR 709 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 5req s VAL 710 N 0.74 4.90 0.11 12.58 1.01 -1.26 -4.98 120.40 133.50 5req s VAL 710 Ca 0.83 1.84 -0.27 0.00 0.00 0.00 0.00 61.98 64.38 5req s VAL 710 Cb -0.85 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 31.23 5req s VAL 710 CO 0.44 0.13 1.63 0.40 0.00 0.00 0.00 175.10 177.70 5req h ILE 711 N 4.91 0.38 -0.94 2.22 2.04 -1.95 -2.49 117.51 121.69 5req h ILE 711 Ca -0.37 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.53 5req h ILE 711 Cb 1.19 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 5req h ILE 711 CO 0.79 0.00 0.61 1.55 0.00 0.00 0.00 178.15 181.09 5req h PRO 712 N -0.48 1.13 -0.48 2.37 0.13 -1.94 -1.62 132.00 131.11 5req h PRO 712 Ca 0.04 -0.07 0.05 0.00 -0.87 0.00 0.00 66.00 65.15 5req h PRO 712 Cb 0.52 -0.25 -0.05 0.00 0.13 0.00 0.00 31.00 31.35 5req h PRO 712 CO -0.18 0.74 0.21 0.93 -0.23 0.00 0.00 178.00 179.48 5req h GLU 713 N 1.16 0.41 -0.61 0.86 5.08 -1.84 -1.94 114.58 117.70 5req h GLU 713 Ca 0.38 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.65 5req h GLU 713 Cb 0.04 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 5req h GLU 713 CO -0.13 0.27 0.11 0.66 -1.00 0.00 0.00 179.01 178.92 5req h SER 714 N 0.42 0.93 0.05 1.42 4.64 -0.87 -2.40 113.55 117.74 5req h SER 714 Ca 0.22 -0.20 0.01 0.00 -0.47 0.00 0.00 61.79 61.34 5req h SER 714 Cb 0.16 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 5req h SER 714 CO -0.18 0.92 -0.08 0.00 -0.87 0.00 0.00 176.83 176.62 5req h ALA 715 N 1.19 -0.13 -0.06 5.18 0.00 -0.96 0.24 119.26 124.73 5req h ALA 715 Ca 0.19 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.13 5req h ALA 715 Cb 0.38 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 5req h ALA 715 CO 0.01 -0.59 -0.34 0.82 0.00 0.00 0.00 179.25 179.15 5req h ILE 716 N -0.17 0.27 -0.13 0.00 2.04 -1.29 0.41 117.51 118.64 5req h ILE 716 Ca 0.01 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.78 5req h ILE 716 Cb 0.18 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 5req h ILE 716 CO -0.05 0.00 -0.35 0.77 0.00 0.00 0.00 178.15 178.53 5req h SER 717 N -0.46 0.26 -0.24 1.72 4.64 -1.42 -2.23 113.55 115.83 5req h SER 717 Ca 0.07 -0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.23 5req h SER 717 Cb 0.57 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 5req h SER 717 CO -0.31 0.60 -0.11 0.25 -0.87 0.00 0.00 176.83 176.39 5req h LEU 718 N 0.22 0.50 -0.32 5.97 5.85 -0.47 -2.38 115.31 124.69 5req h LEU 718 Ca 0.03 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.36 5req h LEU 718 Cb 0.72 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 5req h LEU 718 CO 0.05 0.80 0.16 0.58 -0.34 0.00 0.00 178.44 179.70 5req h VAL 719 N 0.21 1.00 -0.87 1.05 2.07 -0.92 0.47 116.25 119.26 5req h VAL 719 Ca 0.05 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.52 5req h VAL 719 Cb 0.60 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 5req h VAL 719 CO 0.03 0.06 0.54 0.11 0.02 0.00 0.00 177.57 178.33 5req h LYS 720 N 0.34 0.94 -0.56 1.57 1.57 -1.41 0.12 116.57 119.13 5req h LYS 720 Ca 0.13 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 5req h LYS 720 Cb 0.04 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 5req h LYS 720 CO -0.09 0.62 0.18 -0.22 -0.57 0.00 0.00 179.45 179.37 5req h LYS 721 N 0.96 0.88 -0.05 3.15 1.63 -1.07 -1.70 116.57 120.37 5req h LYS 721 Ca 0.38 -0.19 -0.00 0.00 -0.85 0.00 0.00 60.65 59.99 5req h LYS 721 Cb 0.20 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.70 5req h LYS 721 CO -0.18 0.79 0.03 -0.07 -3.45 0.00 0.00 179.45 176.57 5req h LEU 722 N 0.79 0.06 0.03 5.20 3.38 -0.41 -1.95 115.31 122.42 5req h LEU 722 Ca 0.18 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.11 5req h LEU 722 Cb 0.28 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 5req h LEU 722 CO -0.01 0.11 -0.17 0.03 0.09 0.00 0.00 178.44 178.49 5req h ARG 723 N 0.00 -0.28 -0.96 1.13 2.47 -0.69 -1.74 114.38 114.32 5req h ARG 723 Ca 0.02 0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.79 5req h ARG 723 Cb 0.06 0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 28.39 5req h ARG 723 CO -0.00 -0.19 0.63 0.00 0.56 0.00 0.00 179.97 180.97 5req h ALA 724 N 0.60 1.38 -0.41 0.04 0.00 -1.31 -1.07 119.26 118.49 5req h ALA 724 Ca 0.04 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 5req h ALA 724 Cb 0.35 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 5req h ALA 724 CO -0.14 0.52 -0.33 1.03 0.00 0.00 0.00 179.25 180.33 5req h SER 725 N 1.21 0.98 1.03 0.00 0.87 -1.15 -3.06 113.55 113.42 5req h SER 725 Ca 0.38 -0.43 -0.20 0.00 -1.23 0.00 0.00 61.79 60.32 5req h SER 725 Cb 0.01 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.67 5req h SER 725 CO -0.12 1.22 -1.00 -0.07 -0.53 0.00 0.00 176.83 176.33 5req h LEU 726 N 0.78 0.00 -3.51 2.23 3.38 -1.08 -3.34 115.31 113.77 5req h LEU 726 Ca 0.08 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 5req h LEU 726 Cb 0.92 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.61 5req h LEU 726 CO 0.09 0.88 0.10 0.47 0.09 0.00 0.00 178.44 180.06 5req n ASP 727 N -3.27 4.45 -0.85 -0.43 8.00 -0.43 -5.09 116.55 118.93 5req n ASP 727 Ca -0.02 -3.17 0.12 0.00 0.71 0.00 0.00 54.79 52.44 5req n ASP 727 Cb 0.91 -0.66 0.20 0.00 -0.02 0.00 0.00 41.12 41.55 5req n ASP 727 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81