#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h38 s THR 3 N 0.00 5.24 -0.60 3.41 -4.23 -1.26 -4.79 115.64 113.40 1h38 s THR 3 Ca 0.00 0.55 -0.26 0.00 -1.18 0.00 0.00 61.69 60.80 1h38 s THR 3 Cb 0.00 -3.58 -0.10 0.00 1.34 0.00 0.00 72.50 70.16 1h38 s THR 3 CO 0.00 0.58 2.43 -0.38 -0.54 0.00 0.00 174.62 176.71 1h38 n ILE 4 N 1.84 -0.06 -1.66 2.99 5.41 -1.23 -4.87 119.36 121.77 1h38 n ILE 4 Ca -0.16 -0.69 -0.52 0.00 1.00 0.00 0.00 62.75 62.38 1h38 n ILE 4 Cb 0.53 -2.47 -0.06 0.00 -0.71 0.00 0.00 39.64 36.93 1h38 n ILE 4 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1h38 n ASN 5 N 16.44 2.48 0.14 4.38 5.15 -1.26 -4.58 115.26 138.01 1h38 n ASN 5 Ca 0.41 1.07 0.05 0.00 -0.60 0.00 0.00 54.58 55.51 1h38 n ASN 5 Cb 0.49 -1.25 0.04 0.00 -0.53 0.00 0.00 39.78 38.53 1h38 n ASN 5 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1h38 h ILE 6 N 4.38 0.57 0.00 -1.44 1.08 -1.89 -3.38 117.51 116.83 1h38 h ILE 6 Ca -0.47 -1.85 -0.01 0.00 -0.39 0.00 0.00 64.86 62.14 1h38 h ILE 6 Cb 1.30 2.21 -0.00 0.00 -3.07 0.00 0.00 36.82 37.26 1h38 h ILE 6 CO 0.89 0.33 0.26 0.00 -0.69 0.00 0.00 178.15 178.94 1h38 n ALA 7 N -2.22 1.64 -3.00 1.87 0.00 -1.26 -3.28 120.51 114.25 1h38 n ALA 7 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1h38 n ALA 7 Cb 0.70 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1h38 n ALA 7 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1h38 n LYS 8 N 2.60 0.81 0.00 0.00 5.02 -1.26 -4.95 118.16 120.39 1h38 n LYS 8 Ca 0.03 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.42 1h38 n LYS 8 Cb 0.08 0.00 0.55 0.00 -0.02 0.00 0.00 35.03 35.64 1h38 n LYS 8 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1h38 n ASN 9 N 0.00 0.00 0.00 4.39 5.15 -1.26 -2.26 115.26 121.28 1h38 n ASN 9 Ca 0.00 -0.14 0.00 0.00 -0.60 0.00 0.00 54.58 53.84 1h38 n ASN 9 Cb 0.00 -0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.02 1h38 n ASN 9 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1h38 n ASP 10 N -1.23 0.00 0.28 1.20 -0.08 -1.24 -3.13 116.55 112.36 1h38 n ASP 10 Ca 0.11 0.61 0.16 0.00 -1.51 0.00 0.00 54.79 54.15 1h38 n ASP 10 Cb 0.15 -0.35 0.82 0.00 2.34 0.00 0.00 41.12 44.08 1h38 n ASP 10 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1h38 h PHE 11 N 0.00 0.00 -0.82 -0.67 0.04 -1.63 -0.87 116.94 112.99 1h38 h PHE 11 Ca 0.00 0.00 0.24 0.00 2.80 0.00 0.00 57.97 61.01 1h38 h PHE 11 Cb 0.00 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 1h38 h PHE 11 CO 0.08 0.07 0.62 1.03 -0.60 0.00 0.00 178.31 179.51 1h38 h SER 12 N 0.00 0.00 -0.97 2.17 0.87 -1.51 -1.24 113.55 112.87 1h38 h SER 12 Ca -0.00 0.00 0.20 0.00 -1.23 0.00 0.00 61.79 60.76 1h38 h SER 12 Cb 0.29 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.07 1h38 h SER 12 CO 0.01 0.00 -0.20 -0.78 -0.53 0.00 0.00 176.83 175.33 1h38 h ASP 13 N 0.00 -0.83 0.00 6.23 1.82 -1.09 -1.54 116.42 121.01 1h38 h ASP 13 Ca 0.39 0.29 -0.17 0.00 -0.39 0.00 0.00 57.03 57.15 1h38 h ASP 13 Cb 1.62 0.58 -0.03 0.00 0.68 0.00 0.00 39.33 42.17 1h38 h ASP 13 CO -0.00 -0.32 0.42 -0.38 -1.61 0.00 0.00 179.24 177.34 1h38 n ILE 14 N -5.59 2.05 -1.53 2.25 5.41 -0.47 -4.86 119.36 116.62 1h38 n ILE 14 Ca 0.16 -1.07 -0.31 0.00 1.00 0.00 0.00 62.75 62.54 1h38 n ILE 14 Cb 0.52 -1.88 -0.10 0.00 -0.71 0.00 0.00 39.64 37.47 1h38 n ILE 14 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1h38 n GLU 15 N 2.92 0.52 0.00 0.38 4.07 -0.58 -4.75 120.64 123.19 1h38 n GLU 15 Ca 0.31 -0.18 0.04 0.00 -0.06 0.00 0.00 57.16 57.27 1h38 n GLU 15 Cb 0.51 -2.64 0.24 0.00 -0.06 0.00 0.00 31.44 29.49 1h38 n GLU 15 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 1h38 n LEU 16 N 13.62 0.00 -0.03 4.31 -0.00 -1.26 -3.27 117.00 130.36 1h38 n LEU 16 Ca 0.51 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 56.46 1h38 n LEU 16 Cb 0.33 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.72 1h38 n LEU 16 CO 0.79 0.00 -0.73 0.00 -0.00 0.00 0.00 177.39 177.46 1h38 n ALA 17 N -0.77 2.34 -3.84 1.47 0.00 -1.26 -4.61 120.51 113.84 1h38 n ALA 17 Ca 0.06 -0.27 -0.26 0.00 0.00 0.00 0.00 53.44 52.97 1h38 n ALA 17 Cb 0.03 0.39 -0.17 0.00 0.00 0.00 0.00 19.45 19.70 1h38 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h38 s ALA 18 N -2.13 1.16 -0.26 0.00 0.00 -1.20 -5.08 121.76 114.25 1h38 s ALA 18 Ca -0.09 -0.55 -0.38 0.00 0.00 0.00 0.00 51.96 50.94 1h38 s ALA 18 Cb 0.03 -0.98 0.15 0.00 0.00 0.00 0.00 23.12 22.33 1h38 s ALA 18 CO 0.13 -0.67 1.37 0.42 0.00 0.00 0.00 175.76 177.01 1h38 s ILE 19 N 1.78 0.00 -0.56 0.00 -1.09 -1.26 -4.54 121.20 115.53 1h38 s ILE 19 Ca 0.03 -0.00 -0.04 0.00 -2.23 0.00 0.00 60.65 58.40 1h38 s ILE 19 Cb -0.14 -1.11 -0.05 0.00 -1.58 0.00 0.00 42.46 39.58 1h38 s ILE 19 CO -0.07 0.00 1.78 -0.81 -1.23 0.00 0.00 174.94 174.60 1h38 n PRO 20 N -0.07 1.38 -0.18 2.79 -0.04 -1.26 -3.96 135.00 133.66 1h38 n PRO 20 Ca 0.03 -1.07 0.09 0.00 -0.04 0.00 0.00 63.50 62.51 1h38 n PRO 20 Cb 0.57 -2.24 0.18 0.00 -0.04 0.00 0.00 33.50 31.98 1h38 n PRO 20 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1h38 n PHE 21 N 4.22 0.46 0.00 0.54 1.16 -1.26 -4.41 117.46 118.17 1h38 n PHE 21 Ca 0.29 -0.32 0.00 0.00 -1.87 0.00 0.00 57.45 55.56 1h38 n PHE 21 Cb 0.13 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 37.99 1h38 n PHE 21 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1h38 n ASN 22 N 1.06 0.00 0.13 5.98 3.02 -1.25 -0.68 115.26 123.52 1h38 n ASN 22 Ca 0.15 0.33 -0.05 0.00 -0.03 0.00 0.00 54.58 54.98 1h38 n ASN 22 Cb 0.49 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.31 1h38 n ASN 22 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1h38 h THR 23 N 0.00 0.00 0.27 3.41 2.02 -1.93 -2.37 112.91 114.31 1h38 h THR 23 Ca 0.00 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 67.01 1h38 h THR 23 Cb 0.15 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.53 1h38 h THR 23 CO 0.00 0.00 -0.38 -0.07 0.37 0.00 0.00 175.52 175.44 1h38 h LEU 24 N -0.54 -1.06 -0.87 2.58 3.38 -1.25 0.50 115.31 118.05 1h38 h LEU 24 Ca -0.04 0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.15 1h38 h LEU 24 Cb 0.27 0.38 -0.13 0.00 0.09 0.00 0.00 40.66 41.27 1h38 h LEU 24 CO 0.06 -0.50 -0.48 0.00 0.09 0.00 0.00 178.44 177.61 1h38 h ALA 25 N -0.24 -0.25 -0.48 1.53 0.00 -1.42 0.69 119.26 119.08 1h38 h ALA 25 Ca -0.01 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1h38 h ALA 25 Cb 0.68 1.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 1h38 h ALA 25 CO -0.13 -0.81 -0.01 0.22 0.00 0.00 0.00 179.25 178.52 1h38 h ASP 26 N -0.07 0.78 -0.20 0.00 3.58 -1.21 1.00 116.42 120.29 1h38 h ASP 26 Ca 0.23 -0.19 -0.20 0.00 0.42 0.00 0.00 57.03 57.28 1h38 h ASP 26 Cb 0.52 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.37 1h38 h ASP 26 CO -0.88 0.85 -0.66 0.45 -2.88 0.00 0.00 179.24 176.12 1h38 h HIS 27 N 0.75 1.07 0.00 0.28 3.86 0.17 -3.38 115.15 117.90 1h38 h HIS 27 Ca 0.14 -0.43 -0.02 0.00 -1.16 0.00 0.00 60.37 58.91 1h38 h HIS 27 Cb 0.47 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.72 1h38 h HIS 27 CO 0.03 1.26 -0.44 0.66 0.86 0.00 0.00 177.93 180.29 1h38 n TYR 28 N -3.97 0.00 0.00 2.45 4.02 0.21 -5.07 117.16 114.80 1h38 n TYR 28 Ca -0.06 -0.30 0.00 0.00 -0.01 0.00 0.00 57.90 57.53 1h38 n TYR 28 Cb 0.69 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.92 1h38 n TYR 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1h38 n GLY 29 N -0.29 0.60 0.07 2.72 0.00 0.35 -4.48 105.19 104.16 1h38 n GLY 29 Ca 0.04 -1.88 -0.15 0.00 0.00 0.00 0.00 46.02 44.04 1h38 n GLY 29 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1h38 h GLU 30 N 0.00 0.03 -0.09 1.61 4.39 -1.89 -3.09 114.58 115.54 1h38 h GLU 30 Ca 0.00 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.66 1h38 h GLU 30 Cb 0.00 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 1h38 h GLU 30 CO 0.00 1.00 -0.23 -0.09 -1.16 0.00 0.00 179.01 178.53 1h38 h ARG 31 N -0.91 -0.21 -0.68 2.33 2.43 -1.93 0.43 114.38 115.85 1h38 h ARG 31 Ca -0.01 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.26 1h38 h ARG 31 Cb 1.03 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.56 1h38 h ARG 31 CO 0.01 -0.14 0.33 -0.07 -1.51 0.00 0.00 179.97 178.59 1h38 h LEU 32 N -0.22 0.42 -0.42 3.80 4.07 -1.78 0.21 115.31 121.39 1h38 h LEU 32 Ca 0.02 0.06 0.07 0.00 0.08 0.00 0.00 57.88 58.11 1h38 h LEU 32 Cb 0.27 -0.01 -0.06 0.00 1.08 0.00 0.00 40.66 41.94 1h38 h LEU 32 CO -0.20 0.24 0.03 0.00 -1.08 0.00 0.00 178.44 177.43 1h38 h ALA 33 N 1.42 0.41 -0.06 1.53 0.00 -1.22 0.35 119.26 121.68 1h38 h ALA 33 Ca 0.33 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.28 1h38 h ALA 33 Cb 0.35 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1h38 h ALA 33 CO -0.27 -0.37 -0.29 0.00 0.00 0.00 0.00 179.25 178.32 1h38 h ARG 34 N 0.14 0.11 0.25 0.00 3.08 0.10 -2.66 114.38 115.41 1h38 h ARG 34 Ca 0.21 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1h38 h ARG 34 Cb 0.29 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1h38 h ARG 34 CO -0.32 0.40 -0.12 1.49 -1.07 0.00 0.00 179.97 180.35 1h38 h GLU 35 N 0.10 -0.33 -0.51 0.04 4.81 0.13 -2.07 114.58 116.75 1h38 h GLU 35 Ca 0.01 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.36 1h38 h GLU 35 Cb 0.57 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 29.92 1h38 h GLU 35 CO 0.04 0.03 -0.30 0.37 -0.73 0.00 0.00 179.01 178.42 1h38 h GLN 36 N -0.80 -0.17 -0.02 1.92 -0.00 -0.35 0.56 115.11 116.25 1h38 h GLN 36 Ca -0.03 0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.57 1h38 h GLN 36 Cb 0.51 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 28.02 1h38 h GLN 36 CO 0.06 -0.11 -0.26 -0.07 0.00 0.00 0.00 178.83 178.44 1h38 h LEU 37 N -0.18 0.02 -0.16 -2.39 4.07 -1.54 0.36 115.31 115.49 1h38 h LEU 37 Ca 0.21 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 58.07 1h38 h LEU 37 Cb 0.53 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.26 1h38 h LEU 37 CO -0.61 0.29 -0.30 0.00 -1.08 0.00 0.00 178.44 176.74 1h38 h ALA 38 N 1.72 0.26 -0.45 1.53 0.00 -0.19 -0.28 119.26 121.83 1h38 h ALA 38 Ca 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.52 1h38 h ALA 38 Cb 0.47 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1h38 h ALA 38 CO 0.03 0.28 0.27 1.25 0.00 0.00 0.00 179.25 181.08 1h38 h LEU 39 N 0.12 0.43 -0.78 0.00 5.85 0.39 0.37 115.31 121.70 1h38 h LEU 39 Ca 0.01 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 1h38 h LEU 39 Cb 0.89 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1h38 h LEU 39 CO 0.07 0.31 0.07 -0.33 -0.34 0.00 0.00 178.44 178.22 1h38 h GLU 40 N 0.54 1.00 -0.55 1.25 5.08 -0.93 -1.44 114.58 119.53 1h38 h GLU 40 Ca 0.18 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1h38 h GLU 40 Cb 0.02 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1h38 h GLU 40 CO -0.08 0.94 0.23 1.25 -1.00 0.00 0.00 179.01 180.34 1h38 h HIS 41 N 0.93 0.83 -0.83 4.33 2.76 -0.18 -2.76 115.15 120.24 1h38 h HIS 41 Ca 0.18 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1h38 h HIS 41 Cb 0.44 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 29.11 1h38 h HIS 41 CO 0.03 0.67 0.53 1.49 -1.30 0.00 0.00 177.93 179.35 1h38 h GLU 42 N 0.75 1.10 -0.95 5.26 4.81 0.20 -1.84 114.58 123.91 1h38 h GLU 42 Ca 0.19 -0.08 0.21 0.00 -0.13 0.00 0.00 59.36 59.55 1h38 h GLU 42 Cb 0.18 -0.24 -0.08 0.00 0.63 0.00 0.00 28.75 29.25 1h38 h GLU 42 CO -0.02 0.74 0.62 0.77 -0.73 0.00 0.00 179.01 180.39 1h38 h SER 43 N 1.12 0.46 0.62 1.04 0.02 -0.97 0.27 113.55 116.12 1h38 h SER 43 Ca 0.30 0.06 -0.18 0.00 -0.84 0.00 0.00 61.79 61.12 1h38 h SER 43 Cb -0.10 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1h38 h SER 43 CO -0.06 0.17 -0.83 1.88 -1.14 0.00 0.00 176.83 176.84 1h38 h TYR 44 N 0.45 0.21 -0.44 3.45 -1.99 -1.32 -0.16 116.97 117.18 1h38 h TYR 44 Ca 0.51 -0.11 -0.12 0.00 2.00 0.00 0.00 58.73 61.00 1h38 h TYR 44 Cb 1.20 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.89 1h38 h TYR 44 CO -0.00 0.91 -0.21 0.93 -0.00 0.00 0.00 178.16 179.79 1h38 h GLU 45 N 0.08 0.89 -0.37 4.88 5.08 -0.33 -0.46 114.58 124.35 1h38 h GLU 45 Ca -0.03 -0.36 -0.13 0.00 -1.00 0.00 0.00 59.36 57.84 1h38 h GLU 45 Cb 1.45 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1h38 h GLU 45 CO 0.12 1.01 -0.30 0.52 -1.00 0.00 0.00 179.01 179.36 1h38 h MET 46 N 0.77 0.80 -0.37 2.33 2.86 -1.00 -1.02 114.93 119.30 1h38 h MET 46 Ca 0.11 -0.36 -0.07 0.00 -2.06 0.00 0.00 59.70 57.31 1h38 h MET 46 Cb 0.75 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 1h38 h MET 46 CO 0.06 0.99 -0.05 0.78 1.06 0.00 0.00 176.91 179.75 1h38 h GLY 47 N 0.93 0.65 0.86 8.32 0.00 -1.07 0.38 103.07 113.14 1h38 h GLY 47 Ca 0.08 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 1h38 h GLY 47 CO 0.07 0.40 -0.21 -2.09 0.00 0.00 0.00 176.54 174.71 1h38 h GLU 48 N 0.57 0.53 -0.53 4.80 4.81 -0.66 -1.49 114.58 122.61 1h38 h GLU 48 Ca 0.11 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 1h38 h GLU 48 Cb 0.44 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1h38 h GLU 48 CO 0.02 0.86 0.17 0.00 -0.73 0.00 0.00 179.01 179.33 1h38 h ALA 49 N 0.66 1.31 0.06 2.92 0.00 -1.01 -0.58 119.26 122.61 1h38 h ALA 49 Ca 0.04 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1h38 h ALA 49 Cb 0.75 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1h38 h ALA 49 CO 0.05 0.50 -0.39 -0.09 0.00 0.00 0.00 179.25 179.33 1h38 h ARG 50 N 0.77 -0.56 -0.86 0.00 9.65 -0.69 0.53 114.38 123.22 1h38 h ARG 50 Ca 0.18 0.04 0.04 0.00 -1.10 0.00 0.00 59.98 59.13 1h38 h ARG 50 Cb 0.21 0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 28.87 1h38 h ARG 50 CO -0.01 -0.38 0.56 0.35 2.80 0.00 0.00 179.97 183.30 1h38 h PHE 51 N -0.58 1.03 0.66 2.20 3.57 -0.89 -2.34 116.94 120.58 1h38 h PHE 51 Ca 0.04 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1h38 h PHE 51 Cb 0.64 -0.34 0.01 0.00 2.79 0.00 0.00 35.95 39.04 1h38 h PHE 51 CO -0.37 0.60 -0.32 0.00 -2.23 0.00 0.00 178.31 175.99 1h38 h ARG 52 N 1.07 -0.85 -1.01 1.11 2.47 -0.44 0.26 114.38 117.00 1h38 h ARG 52 Ca 0.34 0.06 0.25 0.00 -1.26 0.00 0.00 59.98 59.37 1h38 h ARG 52 Cb 0.03 0.19 -0.13 0.00 -1.65 0.00 0.00 29.97 28.42 1h38 h ARG 52 CO -0.10 -0.57 0.60 0.87 0.56 0.00 0.00 179.97 181.33 1h38 h LYS 53 N -1.04 0.54 0.17 0.04 1.57 -0.86 0.23 116.57 117.23 1h38 h LYS 53 Ca -0.09 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1h38 h LYS 53 Cb 0.68 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1h38 h LYS 53 CO 0.15 0.36 -0.08 1.98 -0.57 0.00 0.00 179.45 181.29 1h38 h MET 54 N 0.56 -0.22 -0.08 3.15 4.05 -1.30 -2.78 114.93 118.30 1h38 h MET 54 Ca 0.65 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 60.11 1h38 h MET 54 Cb 1.26 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 32.11 1h38 h MET 54 CO -0.48 0.06 0.06 0.35 0.23 0.00 0.00 176.91 177.14 1h38 h PHE 55 N -0.50 0.00 0.27 1.39 3.57 0.11 -2.15 116.94 119.63 1h38 h PHE 55 Ca -0.02 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1h38 h PHE 55 Cb 0.39 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1h38 h PHE 55 CO 0.01 0.00 -0.13 1.49 -2.23 0.00 0.00 178.31 177.45 1h38 h GLU 56 N 0.00 -0.35 -0.94 1.11 4.22 -0.35 -2.50 114.58 115.76 1h38 h GLU 56 Ca 0.04 0.02 0.24 0.00 0.08 0.00 0.00 59.36 59.74 1h38 h GLU 56 Cb 0.17 0.08 -0.13 0.00 0.50 0.00 0.00 28.75 29.37 1h38 h GLU 56 CO -0.00 -0.24 0.48 0.00 -2.18 0.00 0.00 179.01 177.07 1h38 h ARG 57 N -0.37 0.44 -0.48 1.92 3.08 -1.31 -0.79 114.38 116.87 1h38 h ARG 57 Ca -0.04 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.08 1h38 h ARG 57 Cb 0.28 -0.10 -0.10 0.00 0.08 0.00 0.00 29.97 30.13 1h38 h ARG 57 CO 0.06 0.29 -0.25 1.96 -1.07 0.00 0.00 179.97 180.96 1h38 h GLN 58 N 0.46 -0.14 -0.15 0.04 1.08 -1.20 -1.88 115.11 113.31 1h38 h GLN 58 Ca 0.60 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.77 1h38 h GLN 58 Cb 1.17 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.63 1h38 h GLN 58 CO -0.52 -0.09 -0.09 -0.07 -0.95 0.00 0.00 178.83 177.11 1h38 h LEU 59 N -0.15 0.34 -0.41 1.46 3.38 -0.75 0.32 115.31 119.50 1h38 h LEU 59 Ca 0.22 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1h38 h LEU 59 Cb 0.50 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1h38 h LEU 59 CO -0.57 0.69 0.66 0.50 0.09 0.00 0.00 178.44 179.80 1h38 h LYS 60 N -0.01 0.00 0.00 1.13 3.64 -0.39 0.36 116.57 121.30 1h38 h LYS 60 Ca 0.03 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 1h38 h LYS 60 Cb 0.57 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.26 1h38 h LYS 60 CO 0.02 0.00 -0.61 0.00 -2.27 0.00 0.00 179.45 176.59 1h38 n ALA 61 N -1.45 2.28 -1.16 5.00 0.00 -1.00 -4.97 120.51 119.21 1h38 n ALA 61 Ca -0.00 -1.80 -0.07 0.00 0.00 0.00 0.00 53.44 51.56 1h38 n ALA 61 Cb 0.66 -0.55 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 1h38 n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h38 n GLY 62 N -0.10 0.65 0.60 0.00 0.00 0.13 -4.76 105.19 101.70 1h38 n GLY 62 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 1h38 n GLY 62 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h38 n GLU 63 N -0.19 1.45 0.21 1.61 1.02 0.11 -4.15 120.64 120.70 1h38 n GLU 63 Ca -0.07 -0.39 0.15 0.00 -0.02 0.00 0.00 57.16 56.83 1h38 n GLU 63 Cb 0.53 -1.51 0.76 0.00 -0.02 0.00 0.00 31.44 31.20 1h38 n GLU 63 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1h38 h VAL 64 N 0.51 0.00 0.00 2.62 2.07 -1.79 0.15 116.25 119.81 1h38 h VAL 64 Ca 0.00 -0.03 -0.12 0.00 0.82 0.00 0.00 66.70 67.37 1h38 h VAL 64 Cb 0.60 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1h38 h VAL 64 CO 0.05 0.00 -0.81 0.00 0.02 0.00 0.00 177.57 176.83 1h38 h ALA 65 N 2.02 0.66 -0.27 1.67 0.00 -1.90 -3.31 119.26 118.12 1h38 h ALA 65 Ca 0.00 -0.56 -0.42 0.00 0.00 0.00 0.00 54.91 53.93 1h38 h ALA 65 Cb 0.04 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.76 1h38 h ALA 65 CO 0.00 0.70 0.67 -0.25 0.00 0.00 0.00 179.25 180.37 1h38 n ASP 66 N -3.10 6.39 -3.76 0.00 9.92 0.51 -4.54 116.55 121.97 1h38 n ASP 66 Ca -0.02 -2.83 -0.13 0.00 -0.53 0.00 0.00 54.79 51.28 1h38 n ASP 66 Cb 0.76 -1.36 -0.10 0.00 -0.64 0.00 0.00 41.12 39.78 1h38 n ASP 66 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1h38 s ASN 67 N 1.23 -0.28 0.28 -2.24 3.84 -1.25 -5.02 114.94 111.50 1h38 s ASN 67 Ca 0.63 0.43 0.21 0.00 0.21 0.00 0.00 52.86 54.34 1h38 s ASN 67 Cb 0.31 0.53 1.03 0.00 -0.55 0.00 0.00 41.25 42.58 1h38 s ASN 67 CO -0.10 -0.25 1.63 0.00 -2.79 0.00 0.00 177.10 175.59 1h38 n ALA 68 N 2.25 1.23 0.10 1.71 0.00 -1.26 -1.89 120.51 122.65 1h38 n ALA 68 Ca -0.16 0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 1h38 n ALA 68 Cb 0.57 -1.32 0.08 0.00 0.00 0.00 0.00 19.45 18.78 1h38 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h38 h ALA 69 N 2.09 0.76 0.00 0.00 0.00 -1.89 -3.30 119.26 116.92 1h38 h ALA 69 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1h38 h ALA 69 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1h38 h ALA 69 CO 0.00 0.85 -1.00 0.00 0.00 0.00 0.00 179.25 179.09 1h38 n ALA 70 N -2.44 4.30 0.08 0.00 0.00 -0.79 -4.45 120.51 117.21 1h38 n ALA 70 Ca -0.02 -0.53 -0.06 0.00 0.00 0.00 0.00 53.44 52.83 1h38 n ALA 70 Cb 0.70 -0.69 0.10 0.00 0.00 0.00 0.00 19.45 19.56 1h38 n ALA 70 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1h38 h LYS 71 N 0.00 0.25 -0.63 0.00 1.57 -1.57 -3.07 116.57 113.13 1h38 h LYS 71 Ca 0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1h38 h LYS 71 Cb 0.50 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1h38 h LYS 71 CO 0.00 0.81 0.39 -1.00 -0.57 0.00 0.00 179.45 179.09 1h38 h PRO 72 N 0.18 0.84 0.66 3.15 0.13 -1.80 -2.00 132.00 133.17 1h38 h PRO 72 Ca -0.01 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 1h38 h PRO 72 Cb 1.17 -0.18 0.01 0.00 0.13 0.00 0.00 31.00 32.13 1h38 h PRO 72 CO 0.10 0.59 -0.32 -0.07 -0.23 0.00 0.00 178.00 178.07 1h38 h LEU 73 N 0.85 -0.75 -1.67 1.56 3.38 -1.85 -2.73 115.31 114.11 1h38 h LEU 73 Ca 0.23 0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.44 1h38 h LEU 73 Cb -0.05 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1h38 h LEU 73 CO -0.05 -0.52 0.61 0.40 0.09 0.00 0.00 178.44 178.97 1h38 h ILE 74 N -0.90 0.63 0.00 1.22 2.04 -1.46 0.68 117.51 119.72 1h38 h ILE 74 Ca -0.09 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1h38 h ILE 74 Cb 0.68 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1h38 h ILE 74 CO 0.15 0.05 0.00 0.74 0.00 0.00 0.00 178.15 179.09 1h38 h THR 75 N 0.27 0.00 0.00 -0.27 2.02 -1.03 -0.13 112.91 113.76 1h38 h THR 75 Ca 0.46 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 67.29 1h38 h THR 75 Cb 1.35 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 1h38 h THR 75 CO -0.13 0.00 -1.73 0.35 0.37 0.00 0.00 175.52 174.38 1h38 n THR 76 N -2.85 0.18 0.04 3.16 -2.24 0.20 -4.51 114.28 108.24 1h38 n THR 76 Ca -0.00 -0.39 -0.11 0.00 -2.27 0.00 0.00 64.05 61.28 1h38 n THR 76 Cb 0.22 0.01 -0.13 0.00 -2.10 0.00 0.00 70.33 68.32 1h38 n THR 76 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1h38 h LEU 77 N 0.00 0.14 -0.61 3.22 5.85 0.09 -3.37 115.31 120.63 1h38 h LEU 77 Ca -0.07 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.37 1h38 h LEU 77 Cb 0.90 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1h38 h LEU 77 CO 0.00 1.16 0.04 0.25 -0.34 0.00 0.00 178.44 179.56 1h38 h LEU 78 N 0.02 1.02 -0.17 2.25 5.85 -1.26 -2.82 115.31 120.21 1h38 h LEU 78 Ca -0.17 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 1h38 h LEU 78 Cb 1.93 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.68 1h38 h LEU 78 CO 0.13 1.06 0.05 1.55 -0.34 0.00 0.00 178.44 180.89 1h38 h PRO 79 N 0.95 0.26 -0.52 5.25 0.13 -1.80 -0.00 132.00 136.27 1h38 h PRO 79 Ca 0.18 -0.06 0.10 0.00 -0.87 0.00 0.00 66.00 65.36 1h38 h PRO 79 Cb 0.51 -0.04 -0.09 0.00 0.13 0.00 0.00 31.00 31.51 1h38 h PRO 79 CO 0.02 0.37 -0.06 0.87 -0.23 0.00 0.00 178.00 178.98 1h38 h LYS 80 N 0.10 0.06 0.03 0.86 1.57 -1.70 -0.39 116.57 117.10 1h38 h LYS 80 Ca 0.05 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1h38 h LYS 80 Cb 0.22 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1h38 h LYS 80 CO -0.00 0.04 -0.02 1.98 -0.57 0.00 0.00 179.45 180.88 1h38 h MET 81 N 0.06 -0.04 -0.92 3.15 4.05 -1.33 -2.35 114.93 117.55 1h38 h MET 81 Ca 0.26 0.00 0.13 0.00 -0.28 0.00 0.00 59.70 59.81 1h38 h MET 81 Cb 0.40 0.01 -0.09 0.00 -0.80 0.00 0.00 31.60 31.12 1h38 h MET 81 CO -0.48 0.17 0.54 0.82 0.23 0.00 0.00 176.91 178.19 1h38 h ILE 82 N -0.26 0.83 0.26 1.77 2.04 -0.45 -1.39 117.51 120.32 1h38 h ILE 82 Ca -0.00 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1h38 h ILE 82 Cb 0.24 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1h38 h ILE 82 CO 0.01 0.15 -0.12 0.00 0.00 0.00 0.00 178.15 178.18 1h38 h ALA 83 N 1.54 -0.35 -0.53 1.87 0.00 -0.97 -2.12 119.26 118.70 1h38 h ALA 83 Ca 0.48 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.37 1h38 h ALA 83 Cb 0.58 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 1h38 h ALA 83 CO -0.31 -0.68 -0.53 -0.09 0.00 0.00 0.00 179.25 177.64 1h38 h ARG 84 N -0.38 -0.29 -0.62 0.00 1.12 -0.72 0.58 114.38 114.08 1h38 h ARG 84 Ca -0.04 0.02 0.10 0.00 -1.11 0.00 0.00 59.98 58.95 1h38 h ARG 84 Cb 0.29 0.07 -0.07 0.00 -0.01 0.00 0.00 29.97 30.24 1h38 h ARG 84 CO 0.06 -0.19 0.24 0.82 -3.11 0.00 0.00 179.97 177.79 1h38 h ILE 85 N -0.30 0.77 -0.36 1.20 2.04 -1.37 0.14 117.51 119.63 1h38 h ILE 85 Ca 0.11 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1h38 h ILE 85 Cb 0.56 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1h38 h ILE 85 CO -0.67 0.08 0.22 0.78 0.00 0.00 0.00 178.15 178.56 1h38 h ASN 86 N 0.43 0.36 0.12 1.72 -0.26 -0.27 0.31 115.58 117.99 1h38 h ASN 86 Ca 0.31 -0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 56.05 1h38 h ASN 86 Cb 0.39 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 1h38 h ASN 86 CO -0.31 0.26 -0.06 0.44 -1.06 0.00 0.00 177.43 176.71 1h38 h ASP 87 N 0.45 -0.13 -0.90 5.81 3.32 -0.49 -2.66 116.42 121.81 1h38 h ASP 87 Ca 0.14 -0.02 0.15 0.00 0.02 0.00 0.00 57.03 57.33 1h38 h ASP 87 Cb -0.01 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.50 1h38 h ASP 87 CO -0.06 -0.07 0.58 -0.25 -1.72 0.00 0.00 179.24 177.72 1h38 h TRP 88 N -0.18 0.80 -0.51 4.55 2.91 -0.21 0.49 115.95 123.79 1h38 h TRP 88 Ca -0.02 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 59.94 1h38 h TRP 88 Cb 0.14 -0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 28.52 1h38 h TRP 88 CO -0.06 0.28 -0.02 0.74 -1.03 0.00 0.00 178.44 178.34 1h38 h PHE 89 N 0.66 0.95 -0.02 2.65 -1.00 -0.07 -2.65 116.94 117.45 1h38 h PHE 89 Ca 0.46 -0.15 -0.16 0.00 2.81 0.00 0.00 57.97 60.93 1h38 h PHE 89 Cb 0.79 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 40.08 1h38 h PHE 89 CO -0.00 0.87 -0.71 0.93 -1.61 0.00 0.00 178.31 177.79 1h38 h GLU 90 N 0.81 0.11 -0.78 1.51 4.39 -0.80 -2.46 114.58 117.36 1h38 h GLU 90 Ca 0.15 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1h38 h GLU 90 Cb 0.51 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 1h38 h GLU 90 CO 0.03 0.77 0.40 0.93 -1.16 0.00 0.00 179.01 179.97 1h38 h GLU 91 N 0.07 1.10 -0.06 2.33 5.08 -0.71 -1.66 114.58 120.74 1h38 h GLU 91 Ca -0.01 -0.14 -0.22 0.00 -1.00 0.00 0.00 59.36 57.98 1h38 h GLU 91 Cb 1.25 -0.21 0.02 0.00 0.50 0.00 0.00 28.75 30.31 1h38 h GLU 91 CO 0.10 0.83 -0.84 0.28 -1.00 0.00 0.00 179.01 178.38 1h38 h VAL 92 N 1.10 1.31 -0.12 3.13 2.07 -1.41 -3.27 116.25 119.07 1h38 h VAL 92 Ca 0.27 -2.09 -0.04 0.00 0.82 0.00 0.00 66.70 65.66 1h38 h VAL 92 Cb 0.07 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1h38 h VAL 92 CO -0.04 0.64 -0.09 0.11 0.02 0.00 0.00 177.57 178.21 1h38 h LYS 93 N 0.33 0.18 -0.90 1.57 1.57 -1.20 -2.48 116.57 115.64 1h38 h LYS 93 Ca -0.09 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.49 1h38 h LYS 93 Cb 1.49 -0.03 -0.10 0.00 0.08 0.00 0.00 32.23 33.67 1h38 h LYS 93 CO 0.17 0.29 0.21 0.00 -0.57 0.00 0.00 179.45 179.55 1h38 n ALA 94 N -2.50 3.86 -3.71 3.86 0.00 -0.64 -4.80 120.51 116.58 1h38 n ALA 94 Ca -0.01 -1.42 -0.14 0.00 0.00 0.00 0.00 53.44 51.87 1h38 n ALA 94 Cb 0.22 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.36 1h38 n ALA 94 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1h38 s LYS 95 N -1.95 0.14 0.88 0.00 1.02 -0.94 -5.05 119.74 113.84 1h38 s LYS 95 Ca 0.32 0.53 -0.12 0.00 0.02 0.00 0.00 55.97 56.72 1h38 s LYS 95 Cb 0.26 -0.15 0.12 0.00 -0.52 0.00 0.00 37.83 37.55 1h38 s LYS 95 CO 0.08 -0.21 1.16 1.03 -0.92 0.00 0.00 175.35 176.48 1h38 s ARG 96 N 1.61 1.37 0.00 1.68 3.00 -1.26 -4.93 118.95 120.41 1h38 s ARG 96 Ca -0.05 0.21 0.00 0.00 0.00 0.00 0.00 55.73 55.89 1h38 s ARG 96 Cb -0.11 -1.87 0.00 0.00 0.00 0.00 0.00 34.95 32.96 1h38 s ARG 96 CO -0.07 -2.03 0.00 0.41 0.00 0.00 0.00 175.30 173.61 1h38 n GLY 97 N -2.59 2.25 3.49 -3.53 0.00 -1.26 -4.92 105.19 98.63 1h38 n GLY 97 Ca 0.07 -1.69 -0.54 0.00 0.00 0.00 0.00 46.02 43.86 1h38 n GLY 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1h38 n LYS 98 N 1.83 0.91 -0.74 1.61 4.81 -1.26 -4.90 118.16 120.43 1h38 n LYS 98 Ca 0.00 0.28 -0.32 0.00 -0.87 0.00 0.00 58.31 57.40 1h38 n LYS 98 Cb 0.00 -2.18 0.14 0.00 0.02 0.00 0.00 35.03 33.01 1h38 n LYS 98 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1h38 n ARG 99 N 7.21 -0.57 -1.13 1.64 3.00 -1.26 -4.95 116.66 120.61 1h38 n ARG 99 Ca 0.39 -0.12 -0.32 0.00 -0.01 0.00 0.00 57.85 57.79 1h38 n ARG 99 Cb 0.15 -1.95 0.12 0.00 0.00 0.00 0.00 32.46 30.78 1h38 n ARG 99 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1h38 s PRO 100 N -3.84 1.77 0.18 5.56 0.04 -1.26 -4.93 135.00 132.52 1h38 s PRO 100 Ca 0.59 1.52 -0.12 0.00 0.04 0.00 0.00 61.00 63.03 1h38 s PRO 100 Cb -0.21 -1.81 0.10 0.00 0.04 0.00 0.00 34.50 32.62 1h38 s PRO 100 CO 0.65 -2.07 1.78 1.15 0.04 0.00 0.00 177.00 178.56 1h38 h THR 101 N -1.08 1.21 0.31 1.26 2.02 -1.99 -3.06 112.91 111.60 1h38 h THR 101 Ca -0.45 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 1h38 h THR 101 Cb 1.27 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1h38 h THR 101 CO 0.47 0.24 -0.15 0.00 0.37 0.00 0.00 175.52 176.45 1h38 h ALA 102 N 1.15 -0.42 -1.17 6.16 0.00 -1.92 -2.82 119.26 120.24 1h38 h ALA 102 Ca 0.22 -0.10 0.33 0.00 0.00 0.00 0.00 54.91 55.37 1h38 h ALA 102 Cb 0.09 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1h38 h ALA 102 CO -0.03 -0.73 0.80 0.35 0.00 0.00 0.00 179.25 179.64 1h38 h PHE 103 N -0.44 0.30 -0.22 0.00 3.57 -1.91 -0.93 116.94 117.31 1h38 h PHE 103 Ca -0.04 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.52 1h38 h PHE 103 Cb 0.33 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.93 1h38 h PHE 103 CO -0.05 0.00 -0.17 1.96 -2.23 0.00 0.00 178.31 177.82 1h38 h GLN 104 N 0.16 -0.17 0.00 1.11 1.08 -1.44 -2.83 115.11 113.02 1h38 h GLN 104 Ca 0.61 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.83 1h38 h GLN 104 Cb 2.06 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 29.53 1h38 h GLN 104 CO -0.16 -0.11 -0.00 0.74 -0.95 0.00 0.00 178.83 178.35 1h38 h PHE 105 N -0.17 -0.00 0.00 2.96 0.05 -1.34 -3.32 116.94 115.12 1h38 h PHE 105 Ca 0.13 -0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.92 1h38 h PHE 105 Cb 0.36 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.31 1h38 h PHE 105 CO -0.33 0.93 0.13 1.28 -0.18 0.00 0.00 178.31 180.15 1h38 n LEU 106 N -4.62 0.00 -0.16 1.54 4.77 -0.75 0.07 117.00 117.86 1h38 n LEU 106 Ca -0.09 0.26 0.13 0.00 -0.03 0.00 0.00 56.01 56.28 1h38 n LEU 106 Cb 0.45 -0.26 0.44 0.00 -2.33 0.00 0.00 43.42 41.72 1h38 n LEU 106 CO 0.32 -0.26 0.70 1.67 -1.33 0.00 0.00 177.39 178.49 1h38 n GLN 107 N -1.22 0.62 -0.06 3.23 7.27 -1.07 -4.06 117.38 122.09 1h38 n GLN 107 Ca 0.00 -0.31 -0.18 0.00 0.07 0.00 0.00 57.00 56.58 1h38 n GLN 107 Cb 0.13 -1.49 -0.13 0.00 2.41 0.00 0.00 30.24 31.15 1h38 n GLN 107 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1h38 n GLU 108 N -0.92 0.70 -2.86 3.69 -0.58 0.11 -4.91 120.64 115.87 1h38 n GLU 108 Ca 0.12 0.20 -0.41 0.00 -0.42 0.00 0.00 57.16 56.64 1h38 n GLU 108 Cb 0.32 -1.63 -0.04 0.00 -0.57 0.00 0.00 31.44 29.52 1h38 n GLU 108 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1h38 s ILE 109 N -2.54 4.92 -0.25 -3.67 1.09 -1.25 -4.97 121.20 114.53 1h38 s ILE 109 Ca -0.24 1.75 -0.41 0.00 -1.10 0.00 0.00 60.65 60.65 1h38 s ILE 109 Cb 0.08 -4.18 -0.17 0.00 -1.06 0.00 0.00 42.46 37.12 1h38 s ILE 109 CO 0.72 0.15 1.62 1.17 -0.10 0.00 0.00 174.94 178.49 1h38 n LYS 110 N 4.27 0.87 -0.30 2.79 4.81 -1.26 -4.72 118.16 124.63 1h38 n LYS 110 Ca 0.03 0.32 0.11 0.00 -0.87 0.00 0.00 58.31 57.90 1h38 n LYS 110 Cb 0.50 -1.95 0.25 0.00 0.02 0.00 0.00 35.03 33.85 1h38 n LYS 110 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1h38 h PRO 111 N 6.16 0.11 -0.44 1.64 0.13 -1.93 -0.51 132.00 137.17 1h38 h PRO 111 Ca -0.46 -0.01 0.09 0.00 -0.87 0.00 0.00 66.00 64.75 1h38 h PRO 111 Cb 1.34 -0.03 -0.09 0.00 0.13 0.00 0.00 31.00 32.35 1h38 h PRO 111 CO 0.92 0.08 -0.17 0.93 -0.23 0.00 0.00 178.00 179.53 1h38 h GLU 112 N 0.12 -0.07 -0.75 0.86 3.07 -1.94 0.45 114.58 116.31 1h38 h GLU 112 Ca 0.52 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.34 1h38 h GLU 112 Cb 1.02 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.92 1h38 h GLU 112 CO -0.73 -0.05 0.29 0.00 -1.40 0.00 0.00 179.01 177.12 1h38 h ALA 113 N 1.28 1.11 0.23 3.43 0.00 -1.47 -2.01 119.26 121.84 1h38 h ALA 113 Ca 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1h38 h ALA 113 Cb 0.40 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1h38 h ALA 113 CO -0.49 0.64 -0.11 0.28 0.00 0.00 0.00 179.25 179.56 1h38 h VAL 114 N 1.09 0.78 0.02 0.00 2.07 -0.35 0.30 116.25 120.15 1h38 h VAL 114 Ca 0.25 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.73 1h38 h VAL 114 Cb 0.21 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1h38 h VAL 114 CO -0.02 0.02 -0.32 0.00 0.02 0.00 0.00 177.57 177.26 1h38 h ALA 115 N 0.42 -0.48 0.35 1.67 0.00 -0.85 -2.15 119.26 118.22 1h38 h ALA 115 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1h38 h ALA 115 Cb 0.27 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1h38 h ALA 115 CO 0.05 -0.84 -0.26 -0.92 0.00 0.00 0.00 179.25 177.29 1h38 h TYR 116 N -0.48 -0.68 -0.89 0.00 3.20 -1.23 -2.26 116.97 114.64 1h38 h TYR 116 Ca 0.06 -0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.13 1h38 h TYR 116 Cb 0.56 0.25 -0.12 0.00 1.54 0.00 0.00 36.73 38.97 1h38 h TYR 116 CO -0.34 -0.39 0.41 0.82 -1.64 0.00 0.00 178.16 177.02 1h38 h ILE 117 N -0.60 0.53 0.65 1.81 2.04 -0.27 -0.89 117.51 120.78 1h38 h ILE 117 Ca -0.03 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1h38 h ILE 117 Cb 0.52 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1h38 h ILE 117 CO 0.00 0.08 -0.46 0.74 0.00 0.00 0.00 178.15 178.52 1h38 h THR 118 N 0.45 0.09 -0.32 -0.27 2.02 -1.00 -1.17 112.91 112.71 1h38 h THR 118 Ca 0.54 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.79 1h38 h THR 118 Cb 0.98 0.09 -0.08 0.00 -1.74 0.00 0.00 68.15 67.40 1h38 h THR 118 CO -0.49 0.00 -0.34 0.40 0.37 0.00 0.00 175.52 175.46 1h38 h ILE 119 N -1.06 0.23 0.66 3.11 1.08 -0.63 0.71 117.51 121.62 1h38 h ILE 119 Ca -0.08 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.36 1h38 h ILE 119 Cb 0.87 0.23 0.01 0.00 -3.07 0.00 0.00 36.82 34.86 1h38 h ILE 119 CO 0.04 0.00 -0.32 0.50 -0.69 0.00 0.00 178.15 177.68 1h38 h LYS 120 N -0.30 -0.86 -0.79 2.37 3.11 -1.25 -2.56 116.57 116.29 1h38 h LYS 120 Ca 0.15 0.06 0.11 0.00 -2.81 0.00 0.00 60.65 58.15 1h38 h LYS 120 Cb 0.55 0.20 -0.05 0.00 -1.00 0.00 0.00 32.23 31.92 1h38 h LYS 120 CO -0.49 -0.57 0.51 1.15 -2.81 0.00 0.00 179.45 177.25 1h38 h THR 121 N -0.92 0.90 0.72 1.00 2.02 -1.05 -2.26 112.91 113.33 1h38 h THR 121 Ca -0.09 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 1h38 h THR 121 Cb 0.69 0.19 0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1h38 h THR 121 CO 0.15 0.12 -0.35 0.74 0.37 0.00 0.00 175.52 176.55 1h38 h THR 122 N 0.65 0.11 -0.89 3.16 2.02 -0.70 -2.84 112.91 114.43 1h38 h THR 122 Ca 0.37 -0.25 0.24 0.00 0.77 0.00 0.00 66.41 67.55 1h38 h THR 122 Cb 0.55 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 1h38 h THR 122 CO -0.14 0.01 0.62 -0.07 0.37 0.00 0.00 175.52 176.31 1h38 h LEU 123 N -1.19 0.10 -0.46 2.58 3.38 -1.15 0.19 115.31 118.76 1h38 h LEU 123 Ca -0.10 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1h38 h LEU 123 Cb 0.76 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1h38 h LEU 123 CO 0.16 0.03 0.05 0.00 0.09 0.00 0.00 178.44 178.78 1h38 h ALA 124 N 1.58 0.61 -0.07 1.53 0.00 -1.31 -2.30 119.26 119.29 1h38 h ALA 124 Ca 0.43 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1h38 h ALA 124 Cb 1.56 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1h38 h ALA 124 CO -0.05 0.35 -0.10 0.00 0.00 0.00 0.00 179.25 179.45 1h38 h LEU 126 N -0.25 0.01 -3.45 0.00 3.38 -0.90 0.98 115.31 115.08 1h38 h LEU 126 Ca 0.01 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.60 1h38 h LEU 126 Cb 0.65 -0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.21 1h38 h LEU 126 CO 0.02 0.00 0.49 0.35 0.09 0.00 0.00 178.44 179.40 1h38 n THR 127 N -4.46 2.72 -3.96 0.22 -2.24 -0.87 -4.89 114.28 100.81 1h38 n THR 127 Ca 0.04 -1.63 -0.32 0.00 -2.27 0.00 0.00 64.05 59.87 1h38 n THR 127 Cb 0.36 -0.97 -0.05 0.00 -2.10 0.00 0.00 70.33 67.57 1h38 n THR 127 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1h38 s SER 128 N -0.45 6.16 0.16 3.42 0.15 0.34 -4.76 113.70 118.71 1h38 s SER 128 Ca 0.39 0.26 -0.31 0.00 0.70 0.00 0.00 55.95 56.99 1h38 s SER 128 Cb 0.31 -1.87 -0.07 0.00 -1.71 0.00 0.00 66.02 62.68 1h38 s SER 128 CO 0.03 0.23 1.54 0.00 1.20 0.00 0.00 173.24 176.25 1h38 h ALA 129 N 3.65 -0.57 0.00 5.45 0.00 -1.90 -3.42 119.26 122.46 1h38 h ALA 129 Ca -0.48 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1h38 h ALA 129 Cb 1.18 1.30 0.00 0.00 0.00 0.00 0.00 17.79 20.27 1h38 h ALA 129 CO 0.69 -0.97 0.00 -0.25 0.00 0.00 0.00 179.25 178.72 1h38 n ASP 130 N -5.29 0.35 -4.67 0.00 8.00 -1.26 -5.07 116.55 108.61 1h38 n ASP 130 Ca 0.01 0.29 -0.47 0.00 0.71 0.00 0.00 54.79 55.34 1h38 n ASP 130 Cb 0.28 0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.41 1h38 n ASP 130 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1h38 n ASN 131 N -3.35 3.60 -0.48 -2.24 2.85 -1.26 -4.78 115.26 109.60 1h38 n ASN 131 Ca 0.00 0.91 0.00 0.00 -0.11 0.00 0.00 54.58 55.38 1h38 n ASN 131 Cb 0.00 -1.42 0.00 0.00 1.24 0.00 0.00 39.78 39.60 1h38 n ASN 131 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1h38 n THR 132 N 5.43 0.00 -1.81 -0.44 -1.04 -1.26 -4.78 114.28 110.38 1h38 n THR 132 Ca 0.23 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.83 1h38 n THR 132 Cb 0.33 0.37 0.00 0.00 -1.82 0.00 0.00 70.33 69.21 1h38 n THR 132 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1h38 s THR 133 N 0.00 2.08 -1.62 12.58 -4.23 -1.26 -1.98 115.64 121.21 1h38 s THR 133 Ca 0.00 0.07 0.08 0.00 -1.18 0.00 0.00 61.69 60.67 1h38 s THR 133 Cb 0.00 -3.05 0.17 0.00 1.34 0.00 0.00 72.50 70.97 1h38 s THR 133 CO 0.00 0.02 1.07 0.55 -0.54 0.00 0.00 174.62 175.72 1h38 n VAL 134 N 0.31 0.56 -0.07 2.29 3.14 -1.15 -2.26 118.33 121.14 1h38 n VAL 134 Ca 0.02 0.14 -0.11 0.00 -2.96 0.00 0.00 64.34 61.43 1h38 n VAL 134 Cb 0.40 -1.01 -0.08 0.00 -1.06 0.00 0.00 33.84 32.10 1h38 n VAL 134 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 1h38 h GLN 135 N 0.00 0.00 -0.24 1.45 5.75 -1.89 -3.14 115.11 117.04 1h38 h GLN 135 Ca 0.00 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1h38 h GLN 135 Cb 0.05 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1h38 h GLN 135 CO 0.00 0.59 -0.01 0.00 -2.65 0.00 0.00 178.83 176.76 1h38 h ALA 136 N -0.54 0.32 -0.41 3.38 0.00 -1.87 -2.82 119.26 117.32 1h38 h ALA 136 Ca -0.09 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.63 1h38 h ALA 136 Cb 0.76 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1h38 h ALA 136 CO -0.06 0.06 0.18 0.28 0.00 0.00 0.00 179.25 179.72 1h38 h VAL 137 N 0.19 0.92 -1.00 0.00 2.07 -1.65 -0.68 116.25 116.11 1h38 h VAL 137 Ca 0.07 -0.12 0.10 0.00 0.82 0.00 0.00 66.70 67.56 1h38 h VAL 137 Cb 0.43 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 1h38 h VAL 137 CO 0.01 0.07 0.64 0.00 0.02 0.00 0.00 177.57 178.31 1h38 h ALA 138 N 1.24 1.48 -0.30 1.67 0.00 -1.50 -0.57 119.26 121.28 1h38 h ALA 138 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1h38 h ALA 138 Cb 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1h38 h ALA 138 CO -0.16 0.32 -0.03 1.03 0.00 0.00 0.00 179.25 180.40 1h38 h SER 139 N 1.07 0.54 0.20 0.00 0.87 -1.08 -2.37 113.55 112.78 1h38 h SER 139 Ca 0.47 -0.34 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1h38 h SER 139 Cb 0.35 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 1h38 h SER 139 CO -0.22 0.75 -0.30 0.00 -0.53 0.00 0.00 176.83 176.53 1h38 h ALA 140 N 0.81 -0.91 -0.75 6.23 0.00 -0.11 0.47 119.26 124.99 1h38 h ALA 140 Ca 0.08 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.07 1h38 h ALA 140 Cb 0.49 0.61 -0.12 0.00 0.00 0.00 0.00 17.79 18.78 1h38 h ALA 140 CO 0.02 -0.96 0.15 0.82 0.00 0.00 0.00 179.25 179.28 1h38 h ILE 141 N -0.53 0.45 -0.26 0.00 2.04 -1.19 0.06 117.51 118.08 1h38 h ILE 141 Ca -0.02 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1h38 h ILE 141 Cb 0.49 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1h38 h ILE 141 CO -0.09 0.04 0.10 1.23 0.00 0.00 0.00 178.15 179.43 1h38 h GLY 142 N 0.22 0.42 0.88 5.37 0.00 -0.99 0.23 103.07 109.20 1h38 h GLY 142 Ca 0.43 -0.23 0.07 0.00 0.00 0.00 0.00 47.33 47.60 1h38 h GLY 142 CO -0.56 0.21 0.57 3.21 0.00 0.00 0.00 176.54 179.97 1h38 h ARG 143 N 0.27 0.94 -0.25 4.80 -0.00 0.12 -0.51 114.38 119.75 1h38 h ARG 143 Ca 0.09 -0.06 -0.17 0.00 -0.50 0.00 0.00 59.98 59.34 1h38 h ARG 143 Cb 0.18 -0.21 -0.00 0.00 0.00 0.00 0.00 29.97 29.94 1h38 h ARG 143 CO -0.01 0.62 -0.51 0.00 0.00 0.00 0.00 179.97 180.07 1h38 h ALA 144 N 1.53 0.63 -0.06 0.04 0.00 -0.68 -2.53 119.26 118.19 1h38 h ALA 144 Ca 0.38 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1h38 h ALA 144 Cb 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1h38 h ALA 144 CO -0.14 0.68 -0.47 0.82 0.00 0.00 0.00 179.25 180.14 1h38 h ILE 145 N 0.55 1.34 0.08 0.00 1.08 -0.10 -2.66 117.51 117.79 1h38 h ILE 145 Ca 0.02 -1.66 -0.00 0.00 -0.39 0.00 0.00 64.86 62.83 1h38 h ILE 145 Cb 1.08 1.82 0.00 0.00 -3.07 0.00 0.00 36.82 36.65 1h38 h ILE 145 CO 0.11 0.49 -0.04 -0.08 -0.69 0.00 0.00 178.15 177.93 1h38 h GLU 146 N 0.13 -0.10 -0.64 2.37 4.81 -1.01 -0.95 114.58 119.19 1h38 h GLU 146 Ca 0.01 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.38 1h38 h GLU 146 Cb 0.88 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 30.18 1h38 h GLU 146 CO 0.07 0.24 0.04 -0.44 -0.73 0.00 0.00 179.01 178.19 1h38 h ASP 147 N -0.45 -0.21 -0.42 1.04 3.32 -1.42 0.18 116.42 118.45 1h38 h ASP 147 Ca -0.01 0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 1h38 h ASP 147 Cb 0.39 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1h38 h ASP 147 CO 0.02 -0.10 0.02 -0.08 -1.72 0.00 0.00 179.24 177.38 1h38 h GLU 148 N 0.15 0.72 -0.52 3.56 4.57 -1.34 -0.88 114.58 120.84 1h38 h GLU 148 Ca 0.34 -0.22 -0.11 0.00 -1.18 0.00 0.00 59.36 58.19 1h38 h GLU 148 Cb 0.56 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 1h38 h GLU 148 CO -0.52 0.79 -0.11 0.00 -1.18 0.00 0.00 179.01 177.99 1h38 h ALA 149 N 0.91 0.81 0.45 2.92 0.00 -0.37 0.24 119.26 124.23 1h38 h ALA 149 Ca 0.12 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1h38 h ALA 149 Cb 0.45 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1h38 h ALA 149 CO 0.02 0.66 -0.22 -0.09 0.00 0.00 0.00 179.25 179.62 1h38 h ARG 150 N 0.88 -0.59 0.00 0.00 2.43 -0.57 -3.15 114.38 113.38 1h38 h ARG 150 Ca 0.14 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1h38 h ARG 150 Cb 0.66 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1h38 h ARG 150 CO 0.05 -0.37 -0.14 0.74 -1.51 0.00 0.00 179.97 178.74 1h38 h PHE 151 N -1.15 0.00 -0.13 2.20 0.04 -1.27 -3.09 116.94 113.55 1h38 h PHE 151 Ca -0.06 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.60 1h38 h PHE 151 Cb 0.49 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 1h38 h PHE 151 CO 0.00 0.00 -0.38 0.78 -0.60 0.00 0.00 178.31 178.11 1h38 h GLY 152 N 4.47 0.30 0.50 -1.45 0.00 -0.62 -2.49 103.07 103.79 1h38 h GLY 152 Ca 0.00 -0.28 0.18 0.00 0.00 0.00 0.00 47.33 47.23 1h38 h GLY 152 CO 0.00 0.25 0.55 -0.09 0.00 0.00 0.00 176.54 177.25 1h38 h ARG 153 N 0.24 0.33 -0.07 4.80 2.43 -1.49 -0.00 114.38 120.61 1h38 h ARG 153 Ca 0.02 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1h38 h ARG 153 Cb 0.79 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1h38 h ARG 153 CO 0.06 0.22 -0.06 0.82 -1.51 0.00 0.00 179.97 179.49 1h38 h ILE 154 N 0.34 1.36 0.00 1.20 2.04 -1.60 -0.79 117.51 120.06 1h38 h ILE 154 Ca 0.41 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1h38 h ILE 154 Cb 1.08 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 1h38 h ILE 154 CO -0.12 0.33 0.00 -1.14 0.00 0.00 0.00 178.15 177.22 1h38 n ARG 155 N -4.72 0.35 -0.00 2.37 0.00 -0.13 -0.70 116.66 113.83 1h38 n ARG 155 Ca -0.07 0.07 -0.02 0.00 -0.00 0.00 0.00 57.85 57.83 1h38 n ARG 155 Cb 0.29 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.25 1h38 n ARG 155 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1h38 n ASP 156 N -1.14 0.64 0.00 6.15 8.00 -0.53 -4.83 116.55 124.85 1h38 n ASP 156 Ca 0.09 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1h38 n ASP 156 Cb 0.08 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 1h38 n ASP 156 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1h38 n LEU 157 N -3.12 0.03 -0.15 0.64 7.94 -0.32 -4.20 117.00 117.81 1h38 n LEU 157 Ca -0.03 0.02 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 1h38 n LEU 157 Cb 0.10 -0.42 -0.04 0.00 0.53 0.00 0.00 43.42 43.59 1h38 n LEU 157 CO 0.04 -0.42 0.31 -0.62 -1.11 0.00 0.00 177.39 175.59 1h38 n GLU 158 N -2.32 -0.16 -1.14 1.96 1.02 -1.19 0.13 120.64 118.95 1h38 n GLU 158 Ca 0.00 0.82 -0.27 0.00 -0.02 0.00 0.00 57.16 57.69 1h38 n GLU 158 Cb 0.00 -1.21 0.08 0.00 -0.02 0.00 0.00 31.44 30.29 1h38 n GLU 158 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1h38 n ALA 159 N -3.13 5.72 -0.22 0.62 0.00 0.12 -4.69 120.51 118.93 1h38 n ALA 159 Ca 0.01 -2.72 0.11 0.00 0.00 0.00 0.00 53.44 50.83 1h38 n ALA 159 Cb 0.09 -1.58 0.22 0.00 0.00 0.00 0.00 19.45 18.18 1h38 n ALA 159 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1h38 n LYS 160 N -0.54 -0.05 -0.00 0.00 4.81 0.12 -0.16 118.16 122.34 1h38 n LYS 160 Ca 0.51 0.95 -0.01 0.00 -0.87 0.00 0.00 58.31 58.89 1h38 n LYS 160 Cb 0.80 -1.54 -0.00 0.00 0.02 0.00 0.00 35.03 34.30 1h38 n LYS 160 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1h38 n HIS 161 N -4.79 0.00 0.28 5.64 8.25 -1.26 -4.64 115.22 118.71 1h38 n HIS 161 Ca 0.17 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.81 1h38 n HIS 161 Cb 0.54 -0.04 0.92 0.00 1.12 0.00 0.00 29.99 32.54 1h38 n HIS 161 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1h38 h PHE 162 N 0.00 0.00 -0.22 4.41 -0.00 -1.76 -0.68 116.94 118.69 1h38 h PHE 162 Ca -0.02 0.00 0.06 0.00 -0.00 0.00 0.00 57.97 58.01 1h38 h PHE 162 Cb 1.04 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.98 1h38 h PHE 162 CO 0.00 0.00 0.45 -0.22 -0.00 0.00 0.00 178.31 178.54 1h38 h LYS 163 N 0.00 0.00 -0.29 1.11 1.63 -0.81 -0.41 116.57 117.80 1h38 h LYS 163 Ca 0.04 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.85 1h38 h LYS 163 Cb 0.48 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 1h38 h LYS 163 CO -0.00 0.00 0.18 0.87 -3.45 0.00 0.00 179.45 177.04 1h38 h LYS 164 N 0.00 0.35 0.00 1.90 1.79 -1.37 0.33 116.57 119.57 1h38 h LYS 164 Ca 0.11 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1h38 h LYS 164 Cb 1.00 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1h38 h LYS 164 CO -0.00 0.23 0.00 0.09 -1.08 0.00 0.00 179.45 178.69 1h38 n ASN 165 N -4.91 0.00 -0.04 0.86 4.13 -0.17 -3.55 115.26 111.58 1h38 n ASN 165 Ca -0.01 -0.20 -0.06 0.00 1.68 0.00 0.00 54.58 55.99 1h38 n ASN 165 Cb 0.04 -0.11 -0.02 0.00 -1.54 0.00 0.00 39.78 38.15 1h38 n ASN 165 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1h38 n VAL 166 N -1.11 1.29 -0.12 2.41 0.31 -0.05 -4.60 118.33 116.46 1h38 n VAL 166 Ca 0.08 0.24 -0.03 0.00 -0.01 0.00 0.00 64.34 64.62 1h38 n VAL 166 Cb 0.07 -2.03 -0.03 0.00 -0.91 0.00 0.00 33.84 30.93 1h38 n VAL 166 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1h38 n GLU 167 N -4.00 -0.12 -0.37 5.55 1.02 0.96 0.24 120.64 123.92 1h38 n GLU 167 Ca -0.09 0.90 0.02 0.00 -0.02 0.00 0.00 57.16 57.97 1h38 n GLU 167 Cb 0.32 -1.33 0.08 0.00 -0.02 0.00 0.00 31.44 30.49 1h38 n GLU 167 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1h38 n GLU 168 N -3.57 -0.17 0.18 3.49 1.02 -1.25 0.14 120.64 120.48 1h38 n GLU 168 Ca 0.01 1.52 0.06 0.00 -0.02 0.00 0.00 57.16 58.72 1h38 n GLU 168 Cb 0.07 -2.26 0.20 0.00 -0.02 0.00 0.00 31.44 29.43 1h38 n GLU 168 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1h38 h GLN 169 N 0.00 0.00 -0.03 3.49 4.20 -0.85 -2.41 115.11 119.51 1h38 h GLN 169 Ca 0.40 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 59.04 1h38 h GLN 169 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1h38 h GLN 169 CO -0.99 0.36 -0.22 1.25 -0.67 0.00 0.00 178.83 178.55 1h38 h LEU 170 N 0.00 0.25 -0.93 1.46 6.46 0.40 -2.75 115.31 120.21 1h38 h LEU 170 Ca -0.00 -0.69 -0.08 0.00 -0.12 0.00 0.00 57.88 56.99 1h38 h LEU 170 Cb 1.11 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.95 1h38 h LEU 170 CO 0.05 0.90 -0.08 0.78 -0.62 0.00 0.00 178.44 179.47 1h38 h ASN 171 N -0.38 0.68 -0.26 1.25 -0.26 -0.83 -1.37 115.58 114.42 1h38 h ASN 171 Ca -0.02 -0.18 0.07 0.00 -0.56 0.00 0.00 56.30 55.60 1h38 h ASN 171 Cb 0.91 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.97 1h38 h ASN 171 CO 0.05 0.80 0.18 0.11 -1.06 0.00 0.00 177.43 177.51 1h38 h LYS 172 N 0.65 0.04 -6.63 0.81 1.79 -1.44 -3.40 116.57 108.40 1h38 h LYS 172 Ca 0.12 -0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 58.08 1h38 h LYS 172 Cb 0.51 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 1h38 h LYS 172 CO 0.03 0.03 0.29 1.03 -1.08 0.00 0.00 179.45 179.75 1h38 s ARG 173 N -5.08 4.73 0.06 3.15 1.81 -0.52 -5.06 118.95 118.04 1h38 s ARG 173 Ca -0.05 1.36 0.07 0.00 -1.72 0.00 0.00 55.73 55.39 1h38 s ARG 173 Cb 0.18 -3.30 -0.03 0.00 -0.45 0.00 0.00 34.95 31.36 1h38 s ARG 173 CO 0.70 0.47 -0.20 0.08 -0.68 0.00 0.00 175.30 175.67 1h38 s VAL 174 N -0.91 1.65 0.00 3.52 1.01 -1.26 -4.87 120.40 119.54 1h38 s VAL 174 Ca 0.40 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1h38 s VAL 174 Cb -0.24 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.68 1h38 s VAL 174 CO 0.29 0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1h38 n GLY 175 N 1.65 0.02 0.38 4.51 0.00 -1.26 -4.53 105.19 105.96 1h38 n GLY 175 Ca -0.18 -1.11 0.24 0.00 0.00 0.00 0.00 46.02 44.97 1h38 n GLY 175 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1h38 h HIS 176 N 0.00 0.79 0.63 1.61 2.76 -1.96 -1.83 115.15 117.15 1h38 h HIS 176 Ca 0.00 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 1h38 h HIS 176 Cb 0.00 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.74 1h38 h HIS 176 CO 0.00 -0.05 -0.41 0.28 -1.30 0.00 0.00 177.93 176.45 1h38 h VAL 177 N 0.36 0.00 -0.23 5.26 2.07 -1.95 -2.34 116.25 119.42 1h38 h VAL 177 Ca 0.68 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.19 1h38 h VAL 177 Cb 1.67 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1h38 h VAL 177 CO -0.44 0.00 0.06 1.88 0.02 0.00 0.00 177.57 179.09 1h38 h TYR 178 N -0.98 0.32 0.00 1.57 0.99 -1.68 -0.93 116.97 116.25 1h38 h TYR 178 Ca -0.08 -0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.61 1h38 h TYR 178 Cb 0.80 -0.10 -0.00 0.00 1.00 0.00 0.00 36.73 38.42 1h38 h TYR 178 CO -0.09 0.28 -0.13 0.87 -0.00 0.00 0.00 178.16 179.09 1h38 h LYS 179 N 0.32 0.00 0.19 4.88 1.57 -1.22 -2.08 116.57 120.24 1h38 h LYS 179 Ca 0.08 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.52 1h38 h LYS 179 Cb 0.12 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.44 1h38 h LYS 179 CO -0.00 0.13 -1.63 -0.22 -0.57 0.00 0.00 179.45 177.15 1h38 h LYS 180 N 0.00 0.40 -0.60 3.15 3.64 -0.63 -2.97 116.57 119.55 1h38 h LYS 180 Ca -0.00 -0.69 0.06 0.00 -1.27 0.00 0.00 60.65 58.75 1h38 h LYS 180 Cb 0.26 0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 32.28 1h38 h LYS 180 CO 0.02 1.31 0.31 0.00 -2.27 0.00 0.00 179.45 178.82 1h38 h ALA 181 N 0.22 0.79 -0.37 5.00 0.00 -1.10 0.25 119.26 124.06 1h38 h ALA 181 Ca -0.30 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1h38 h ALA 181 Cb 2.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 1h38 h ALA 181 CO 0.20 -0.03 0.08 0.35 0.00 0.00 0.00 179.25 179.85 1h38 h PHE 182 N 0.59 0.62 0.00 0.00 3.57 -1.49 -2.01 116.94 118.21 1h38 h PHE 182 Ca 0.27 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 1h38 h PHE 182 Cb 0.19 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1h38 h PHE 182 CO -0.10 0.62 -0.15 0.52 -2.23 0.00 0.00 178.31 176.97 1h38 h MET 183 N 0.44 0.00 -0.00 1.11 2.86 -1.28 -0.80 114.93 117.26 1h38 h MET 183 Ca 0.11 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 1h38 h MET 183 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1h38 h MET 183 CO 0.00 0.15 -0.19 1.96 1.06 0.00 0.00 176.91 179.89 1h38 h GLN 184 N 0.00 0.14 -0.84 1.72 4.20 -0.61 -2.22 115.11 117.49 1h38 h GLN 184 Ca -0.00 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 1h38 h GLN 184 Cb 0.45 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.23 1h38 h GLN 184 CO 0.02 0.88 0.45 -0.39 -0.67 0.00 0.00 178.83 179.12 1h38 h VAL 185 N -0.55 1.25 0.05 -0.54 -1.51 -1.19 0.17 116.25 113.92 1h38 h VAL 185 Ca -0.02 -0.64 0.02 0.00 -1.23 0.00 0.00 66.70 64.82 1h38 h VAL 185 Cb 0.95 0.13 -0.02 0.00 -2.13 0.00 0.00 31.29 30.22 1h38 h VAL 185 CO 0.04 0.28 -0.14 0.58 -1.23 0.00 0.00 177.57 177.11 1h38 h VAL 186 N 1.18 0.67 -0.98 7.19 2.07 -1.21 -0.51 116.25 124.67 1h38 h VAL 186 Ca 0.29 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.89 1h38 h VAL 186 Cb 0.05 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 1h38 h VAL 186 CO -0.05 0.00 0.63 -0.08 0.02 0.00 0.00 177.57 178.10 1h38 h GLU 187 N -0.25 1.08 0.00 1.57 4.81 -0.90 0.23 114.58 121.12 1h38 h GLU 187 Ca 0.03 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1h38 h GLU 187 Cb 0.29 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1h38 h GLU 187 CO -0.10 0.71 -0.17 0.00 -0.73 0.00 0.00 179.01 178.73 1h38 h ALA 188 N 1.48 1.56 0.00 2.92 0.00 -0.23 -2.11 119.26 122.88 1h38 h ALA 188 Ca 0.43 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1h38 h ALA 188 Cb 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1h38 h ALA 188 CO -0.18 0.21 -0.61 0.22 0.00 0.00 0.00 179.25 178.89 1h38 h ASP 189 N 0.00 0.00 -0.90 0.00 -0.00 0.53 -3.15 116.42 112.90 1h38 h ASP 189 Ca -0.00 -0.42 0.18 0.00 -0.00 0.00 0.00 57.03 56.79 1h38 h ASP 189 Cb 0.34 0.00 -0.07 0.00 -0.00 0.00 0.00 39.33 39.59 1h38 h ASP 189 CO 0.02 1.06 0.59 0.24 -0.00 0.00 0.00 179.24 181.15 1h38 h MET 190 N -1.00 0.51 -0.08 0.28 2.86 -0.62 0.39 114.93 117.27 1h38 h MET 190 Ca -0.14 -0.03 -0.15 0.00 -2.06 0.00 0.00 59.70 57.32 1h38 h MET 190 Cb 0.85 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 1h38 h MET 190 CO -0.08 0.34 -0.63 -0.07 1.06 0.00 0.00 176.91 177.53 1h38 h LEU 191 N 0.53 0.32 -0.36 1.22 3.38 -1.51 0.47 115.31 119.36 1h38 h LEU 191 Ca 0.47 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1h38 h LEU 191 Cb 1.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1h38 h LEU 191 CO -0.21 0.87 0.00 -0.24 0.09 0.00 0.00 178.44 178.95 1h38 n SER 192 N -3.86 0.34 0.00 -0.43 2.88 0.12 -4.61 113.62 108.06 1h38 n SER 192 Ca -0.03 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 1h38 n SER 192 Cb 0.64 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 1h38 n SER 192 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1h38 n LYS 193 N -1.87 0.00 0.00 -1.46 5.02 -0.37 -5.07 118.16 114.40 1h38 n LYS 193 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1h38 n LYS 193 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.21 1h38 n LYS 193 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h38 n GLY 194 N 1.03 -2.76 3.65 0.72 0.00 0.16 -4.77 105.19 103.22 1h38 n GLY 194 Ca 0.00 -0.61 -0.52 0.00 0.00 0.00 0.00 46.02 44.90 1h38 n GLY 194 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1h38 n LEU 195 N 0.00 2.43 -4.91 0.99 7.94 -1.20 -4.74 117.00 117.51 1h38 n LEU 195 Ca 0.00 1.08 -0.31 0.00 -1.11 0.00 0.00 56.01 55.67 1h38 n LEU 195 Cb 0.00 -1.26 -0.04 0.00 0.53 0.00 0.00 43.42 42.65 1h38 n LEU 195 CO 0.00 -0.57 -0.15 -0.76 -1.11 0.00 0.00 177.39 174.80 1h38 s LEU 196 N 1.93 4.33 0.00 -1.96 1.43 -1.26 -4.01 118.68 119.14 1h38 s LEU 196 Ca 0.88 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.24 1h38 s LEU 196 Cb -0.88 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 42.40 1h38 s LEU 196 CO 0.50 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.86 1h38 n GLY 197 N 0.29 -0.58 0.00 -3.19 0.00 -1.26 -5.13 105.19 95.32 1h38 n GLY 197 Ca -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1h38 n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h38 n GLY 198 N 0.00 0.50 0.00 -0.02 0.00 -1.26 -5.09 105.19 99.32 1h38 n GLY 198 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1h38 n GLY 198 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1h38 n GLU 199 N 0.00 0.00 -0.14 1.61 2.13 -1.26 -5.07 120.64 117.92 1h38 n GLU 199 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 1h38 n GLU 199 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 1h38 n GLU 199 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1h38 n ALA 200 N 0.00 1.73 0.00 4.31 0.00 -1.26 -2.88 120.51 122.41 1h38 n ALA 200 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1h38 n ALA 200 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.07 1h38 n ALA 200 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1h38 n TRP 201 N 3.57 0.00 0.25 0.00 7.02 -1.26 -4.60 117.44 122.42 1h38 n TRP 201 Ca 0.07 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.65 1h38 n TRP 201 Cb 0.09 0.00 0.65 0.00 -2.42 0.00 0.00 31.31 29.63 1h38 n TRP 201 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1h38 h SER 202 N 0.00 0.00 0.82 -0.99 0.87 -2.00 0.10 113.55 112.35 1h38 h SER 202 Ca 0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 1h38 h SER 202 Cb 0.16 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1h38 h SER 202 CO 0.00 0.14 -0.41 0.77 -0.53 0.00 0.00 176.83 176.80 1h38 h SER 203 N 0.00 0.00 -0.01 6.23 4.64 -1.83 -3.38 113.55 119.20 1h38 h SER 203 Ca -0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 1h38 h SER 203 Cb 0.31 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.52 1h38 h SER 203 CO 0.02 0.41 1.51 0.79 -0.87 0.00 0.00 176.83 178.69 1h38 n TRP 204 N -3.57 0.49 -1.69 4.77 7.02 0.36 -4.89 117.44 119.93 1h38 n TRP 204 Ca -0.00 -0.79 -0.39 0.00 -1.02 0.00 0.00 57.50 55.30 1h38 n TRP 204 Cb 0.53 -1.06 0.04 0.00 -2.42 0.00 0.00 31.31 28.39 1h38 n TRP 204 CO 0.00 0.00 0.00 1.58 -2.02 0.00 0.00 177.69 177.25 1h38 n HIS 205 N 9.21 1.72 0.11 -5.99 -0.00 -1.26 -4.68 115.22 114.32 1h38 n HIS 205 Ca 0.47 0.45 0.02 0.00 0.46 0.00 0.00 57.72 59.13 1h38 n HIS 205 Cb 0.42 -2.28 0.13 0.00 -0.12 0.00 0.00 29.99 28.14 1h38 n HIS 205 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 1h38 n LYS 206 N -0.89 0.04 0.27 1.57 0.00 -1.26 -0.26 118.16 117.63 1h38 n LYS 206 Ca 0.11 0.41 -0.11 0.00 -0.00 0.00 0.00 58.31 58.72 1h38 n LYS 206 Cb 0.45 -2.08 -0.05 0.00 -0.00 0.00 0.00 35.03 33.34 1h38 n LYS 206 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1h38 h GLU 207 N 0.00 -0.69 -0.89 -1.58 4.39 -1.95 -2.57 114.58 111.29 1h38 h GLU 207 Ca 0.00 0.05 0.10 0.00 0.34 0.00 0.00 59.36 59.85 1h38 h GLU 207 Cb 0.94 0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 29.67 1h38 h GLU 207 CO 0.00 -0.46 0.53 -0.44 -1.16 0.00 0.00 179.01 177.49 1h38 h ASP 208 N -0.95 0.78 -0.24 1.42 3.45 -0.94 -1.87 116.42 118.07 1h38 h ASP 208 Ca -0.07 0.04 0.04 0.00 0.43 0.00 0.00 57.03 57.47 1h38 h ASP 208 Cb 0.55 -0.11 -0.07 0.00 -0.56 0.00 0.00 39.33 39.13 1h38 h ASP 208 CO 0.12 0.44 -0.52 -1.28 -1.57 0.00 0.00 179.24 176.43 1h38 h SER 209 N 0.89 -1.70 0.26 6.45 0.87 -1.50 -0.27 113.55 118.54 1h38 h SER 209 Ca 0.43 0.21 0.01 0.00 -1.23 0.00 0.00 61.79 61.21 1h38 h SER 209 Cb 0.38 0.68 -0.03 0.00 -0.44 0.00 0.00 62.40 62.99 1h38 h SER 209 CO -0.25 -0.45 -0.36 0.40 -0.53 0.00 0.00 176.83 175.65 1h38 h ILE 210 N -0.50 0.26 -0.82 2.23 1.08 -0.95 -1.53 117.51 117.29 1h38 h ILE 210 Ca 0.06 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.73 1h38 h ILE 210 Cb 0.65 0.26 -0.14 0.00 -3.07 0.00 0.00 36.82 34.52 1h38 h ILE 210 CO -0.49 0.00 0.06 0.45 -0.69 0.00 0.00 178.15 177.48 1h38 h HIS 211 N -0.68 0.04 0.75 1.37 3.86 -1.00 0.28 115.15 119.78 1h38 h HIS 211 Ca -0.00 0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 1h38 h HIS 211 Cb 0.65 0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.23 1h38 h HIS 211 CO -0.25 -0.25 -0.41 0.28 0.86 0.00 0.00 177.93 178.15 1h38 h VAL 212 N 0.12 0.16 -0.76 2.45 2.07 -0.64 -1.18 116.25 118.48 1h38 h VAL 212 Ca 0.47 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.16 1h38 h VAL 212 Cb 0.87 0.16 -0.13 0.00 -1.52 0.00 0.00 31.29 30.68 1h38 h VAL 212 CO -0.70 0.00 0.02 1.23 0.02 0.00 0.00 177.57 178.14 1h38 h GLY 213 N -1.08 0.87 0.87 2.17 0.00 0.14 -1.80 103.07 104.24 1h38 h GLY 213 Ca -0.10 0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1h38 h GLY 213 CO 0.13 -0.29 0.05 -2.08 0.00 0.00 0.00 176.54 174.36 1h38 h VAL 214 N 0.11 1.22 -0.98 4.60 2.07 -0.36 -1.79 116.25 121.12 1h38 h VAL 214 Ca 0.42 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 67.25 1h38 h VAL 214 Cb 0.74 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.66 1h38 h VAL 214 CO -0.66 0.23 0.64 -0.09 0.02 0.00 0.00 177.57 177.71 1h38 h ARG 215 N 0.24 1.19 0.14 1.57 9.65 -0.40 -1.44 114.38 125.32 1h38 h ARG 215 Ca 0.08 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1h38 h ARG 215 Cb 0.30 -0.27 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 1h38 h ARG 215 CO 0.00 0.78 -0.07 0.00 2.80 0.00 0.00 179.97 183.49 1h38 h ILE 217 N -0.32 0.80 0.48 0.00 2.04 -1.00 0.34 117.51 119.85 1h38 h ILE 217 Ca -0.02 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1h38 h ILE 217 Cb 0.26 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1h38 h ILE 217 CO 0.03 0.11 -0.23 -0.33 0.00 0.00 0.00 178.15 177.73 1h38 h GLU 218 N 0.60 -0.62 -0.14 2.37 5.08 -0.78 -0.25 114.58 120.84 1h38 h GLU 218 Ca 0.44 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.88 1h38 h GLU 218 Cb 0.82 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1h38 h GLU 218 CO -0.19 -0.36 0.10 0.52 -1.00 0.00 0.00 179.01 178.07 1h38 h MET 219 N -0.76 0.03 -0.02 2.33 2.86 -0.01 0.18 114.93 119.54 1h38 h MET 219 Ca -0.07 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1h38 h MET 219 Cb 0.55 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 1h38 h MET 219 CO 0.11 0.02 -0.00 1.25 1.06 0.00 0.00 176.91 179.35 1h38 h LEU 220 N 0.03 0.03 -1.51 1.22 5.85 0.09 0.92 115.31 121.93 1h38 h LEU 220 Ca 0.06 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 1h38 h LEU 220 Cb 0.23 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1h38 h LEU 220 CO -0.00 0.33 -0.19 0.40 -0.34 0.00 0.00 178.44 178.64 1h38 h ILE 221 N -0.28 0.60 0.12 4.05 2.04 -0.30 -1.55 117.51 122.19 1h38 h ILE 221 Ca 0.00 -0.86 -0.19 0.00 1.00 0.00 0.00 64.86 64.82 1h38 h ILE 221 Cb 0.32 1.56 0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1h38 h ILE 221 CO 0.00 0.18 -0.82 -0.08 0.00 0.00 0.00 178.15 177.44 1h38 h GLU 222 N 0.00 0.34 0.07 2.37 4.81 -0.42 -3.37 114.58 118.38 1h38 h GLU 222 Ca -0.00 -0.53 -0.28 0.00 -0.13 0.00 0.00 59.36 58.42 1h38 h GLU 222 Cb 0.55 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 1h38 h GLU 222 CO 0.02 1.23 -1.39 0.66 -0.73 0.00 0.00 179.01 178.81 1h38 h SER 223 N -0.28 0.24 -5.42 1.04 4.64 -0.79 -3.48 113.55 109.50 1h38 h SER 223 Ca -0.14 -0.31 -0.36 0.00 -0.47 0.00 0.00 61.79 60.51 1h38 h SER 223 Cb 1.61 -0.08 -0.14 0.00 -0.31 0.00 0.00 62.40 63.49 1h38 h SER 223 CO 0.15 1.26 -0.56 0.42 -0.87 0.00 0.00 176.83 177.23 1h38 s THR 224 N -2.64 0.10 -0.64 2.95 -4.23 -0.59 -4.84 115.64 105.75 1h38 s THR 224 Ca -0.05 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.49 1h38 s THR 224 Cb 0.08 -2.51 0.36 0.00 1.34 0.00 0.00 72.50 71.78 1h38 s THR 224 CO 0.84 0.00 1.29 0.61 -0.54 0.00 0.00 174.62 176.82 1h38 n GLY 225 N -0.47 5.82 0.13 3.99 0.00 -1.26 -3.92 105.19 109.48 1h38 n GLY 225 Ca 0.03 -2.71 -0.22 0.00 0.00 0.00 0.00 46.02 43.13 1h38 n GLY 225 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1h38 h MET 226 N 3.05 0.44 -4.64 1.61 -1.53 -1.89 -3.42 114.93 108.55 1h38 h MET 226 Ca 0.31 -0.75 -0.38 0.00 -3.44 0.00 0.00 59.70 55.44 1h38 h MET 226 Cb 0.54 0.28 -0.29 0.00 -0.55 0.00 0.00 31.60 31.58 1h38 h MET 226 CO 0.97 1.35 -0.77 0.14 0.14 0.00 0.00 176.91 178.74 1h38 s VAL 227 N -2.62 0.65 -0.12 -5.77 -7.23 -1.26 0.26 120.40 104.31 1h38 s VAL 227 Ca -0.08 -0.35 -0.10 0.00 -1.81 0.00 0.00 61.98 59.64 1h38 s VAL 227 Cb 0.05 -0.55 -0.05 0.00 0.56 0.00 0.00 36.38 36.40 1h38 s VAL 227 CO 0.92 0.19 0.21 -0.94 -0.31 0.00 0.00 175.10 175.17 1h38 s SER 228 N -0.18 6.43 -1.02 4.85 1.04 0.57 -4.71 113.70 120.69 1h38 s SER 228 Ca 0.03 0.51 -0.06 0.00 0.48 0.00 0.00 55.95 56.91 1h38 s SER 228 Cb -0.03 -2.13 0.25 0.00 0.10 0.00 0.00 66.02 64.21 1h38 s SER 228 CO -0.00 0.29 0.98 -0.22 0.98 0.00 0.00 173.24 175.26 1h38 s LEU 229 N -0.46 6.04 0.10 2.42 2.96 -1.26 -1.51 118.68 126.97 1h38 s LEU 229 Ca 0.15 -3.63 0.02 0.00 -0.22 0.00 0.00 54.13 50.46 1h38 s LEU 229 Cb -0.13 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1h38 s LEU 229 CO 0.04 -0.25 0.17 -1.38 -1.32 0.00 0.00 176.35 173.61 1h38 s HIS 230 N -1.27 3.35 0.41 5.38 -3.43 -1.22 -4.94 115.29 113.57 1h38 s HIS 230 Ca 0.29 0.13 -0.23 0.00 -0.80 0.00 0.00 55.06 54.44 1h38 s HIS 230 Cb -0.09 -1.66 -0.09 0.00 -1.43 0.00 0.00 32.58 29.31 1h38 s HIS 230 CO -0.10 0.54 1.06 0.50 -2.00 0.00 0.00 174.74 174.75 1h38 s ARG 231 N -2.71 4.08 -0.30 -0.38 6.06 -1.26 -2.99 118.95 121.46 1h38 s ARG 231 Ca 0.32 1.52 -0.04 0.00 -2.50 0.00 0.00 55.73 55.04 1h38 s ARG 231 Cb -0.12 -2.48 0.03 0.00 0.06 0.00 0.00 34.95 32.45 1h38 s ARG 231 CO 0.25 -0.21 0.03 -0.65 -2.50 0.00 0.00 175.30 172.22 1h38 s GLN 232 N -2.60 2.69 -1.13 5.12 -1.52 -0.78 -4.70 119.66 116.74 1h38 s GLN 232 Ca 0.59 -1.11 -0.07 0.00 -1.95 0.00 0.00 55.36 52.83 1h38 s GLN 232 Cb -0.22 -3.26 -0.04 0.00 -0.22 0.00 0.00 33.01 29.27 1h38 s GLN 232 CO 0.27 -0.56 0.88 0.09 -0.25 0.00 0.00 175.29 175.73 1h38 n ASN 233 N 4.73 -4.86 -4.59 5.90 4.13 -1.26 -0.81 115.26 118.50 1h38 n ASN 233 Ca -0.14 -0.77 -0.42 0.00 1.68 0.00 0.00 54.58 54.93 1h38 n ASN 233 Cb 0.45 -4.69 -0.03 0.00 -1.54 0.00 0.00 39.78 33.98 1h38 n ASN 233 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1h38 s ALA 234 N -3.44 2.60 0.00 5.41 0.00 -1.26 -2.71 121.76 122.36 1h38 s ALA 234 Ca 0.32 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1h38 s ALA 234 Cb -0.06 -4.10 0.00 0.00 0.00 0.00 0.00 23.12 18.96 1h38 s ALA 234 CO 0.77 -3.01 0.00 0.41 0.00 0.00 0.00 175.76 173.94 1h38 n GLY 235 N 5.70 1.06 3.00 0.00 0.00 -1.26 -5.04 105.19 108.65 1h38 n GLY 235 Ca 0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 1h38 n GLY 235 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h38 s VAL 236 N -1.37 1.12 0.24 1.61 1.01 -1.10 -4.99 120.40 116.92 1h38 s VAL 236 Ca 0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 1h38 s VAL 236 Cb 0.00 -1.05 0.20 0.00 0.00 0.00 0.00 36.38 35.54 1h38 s VAL 236 CO 0.00 0.36 1.78 0.58 0.00 0.00 0.00 175.10 177.82 1h38 h VAL 237 N 6.01 0.81 -0.17 2.92 2.07 -1.95 -0.30 116.25 125.65 1h38 h VAL 237 Ca -0.31 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1h38 h VAL 237 Cb 1.17 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1h38 h VAL 237 CO 0.46 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.78 1h38 n GLY 238 N -1.31 4.05 0.00 2.17 0.00 -1.26 -4.62 105.19 104.22 1h38 n GLY 238 Ca 0.13 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1h38 n GLY 238 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h38 n GLN 239 N -0.66 2.30 -1.64 1.61 6.02 -1.12 -4.95 117.38 118.94 1h38 n GLN 239 Ca 0.17 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 57.00 1h38 n GLN 239 Cb 0.70 -0.77 -0.10 0.00 1.02 0.00 0.00 30.24 31.09 1h38 n GLN 239 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1h38 s ASP 240 N -1.89 3.65 -0.19 1.08 -1.08 -0.14 -4.30 116.67 113.81 1h38 s ASP 240 Ca 0.00 -0.78 0.01 0.00 -0.52 0.00 0.00 52.55 51.26 1h38 s ASP 240 Cb 0.00 -2.59 0.03 0.00 -1.46 0.00 0.00 42.92 38.90 1h38 s ASP 240 CO 0.00 -4.44 -0.16 -0.55 0.52 0.00 0.00 175.17 170.54 1h38 s SER 241 N 8.92 3.30 0.02 -0.34 0.15 0.01 -4.93 113.70 120.83 1h38 s SER 241 Ca 0.83 -0.78 -0.30 0.00 0.70 0.00 0.00 55.95 56.40 1h38 s SER 241 Cb -0.07 -1.39 -0.06 0.00 -1.71 0.00 0.00 66.02 62.79 1h38 s SER 241 CO 0.15 -0.06 1.34 -0.70 1.20 0.00 0.00 173.24 175.16 1h38 s GLU 242 N 1.31 4.32 0.08 5.44 2.12 -1.26 -1.87 118.70 128.85 1h38 s GLU 242 Ca 0.02 1.91 0.01 0.00 0.36 0.00 0.00 54.97 57.27 1h38 s GLU 242 Cb -0.15 -3.48 -0.00 0.00 0.26 0.00 0.00 34.13 30.76 1h38 s GLU 242 CO -0.11 -0.48 0.04 0.25 -0.54 0.00 0.00 175.26 174.42 1h38 n THR 243 N 4.42 0.00 -4.73 -1.70 -2.24 -1.16 -2.95 114.28 105.92 1h38 n THR 243 Ca 0.12 -0.51 -0.25 0.00 -2.27 0.00 0.00 64.05 61.13 1h38 n THR 243 Cb 0.44 0.20 -0.15 0.00 -2.10 0.00 0.00 70.33 68.73 1h38 n THR 243 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1h38 s ILE 244 N -1.98 1.57 0.02 2.28 -1.09 -0.84 -3.44 121.20 117.73 1h38 s ILE 244 Ca 0.06 -1.04 0.03 0.00 -2.23 0.00 0.00 60.65 57.47 1h38 s ILE 244 Cb 0.00 -1.34 -0.02 0.00 -1.58 0.00 0.00 42.46 39.52 1h38 s ILE 244 CO 0.04 0.28 -0.09 -0.70 -1.23 0.00 0.00 174.94 173.24 1h38 s GLU 245 N -0.90 0.63 0.09 2.79 2.12 -0.57 -4.80 118.70 118.07 1h38 s GLU 245 Ca 0.07 -0.57 -0.30 0.00 0.36 0.00 0.00 54.97 54.53 1h38 s GLU 245 Cb -0.08 -0.54 -0.05 0.00 0.26 0.00 0.00 34.13 33.71 1h38 s GLU 245 CO 0.01 0.13 0.96 -1.17 -0.54 0.00 0.00 175.26 174.65 1h38 s LEU 246 N -0.94 4.47 -0.12 2.70 2.96 -1.26 -0.31 118.68 126.18 1h38 s LEU 246 Ca -0.02 1.77 -0.37 0.00 -0.22 0.00 0.00 54.13 55.28 1h38 s LEU 246 Cb -0.07 -3.58 -0.15 0.00 0.50 0.00 0.00 46.19 42.89 1h38 s LEU 246 CO 0.00 -0.10 1.69 0.00 -1.32 0.00 0.00 176.35 176.62 1h38 n ALA 247 N 3.01 0.09 -0.25 5.97 0.00 0.14 -4.86 120.51 124.61 1h38 n ALA 247 Ca 0.03 0.39 0.06 0.00 0.00 0.00 0.00 53.44 53.92 1h38 n ALA 247 Cb 0.50 -2.28 0.18 0.00 0.00 0.00 0.00 19.45 17.84 1h38 n ALA 247 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1h38 h PRO 248 N 7.14 0.19 0.51 0.00 0.11 -1.92 -1.23 132.00 136.79 1h38 h PRO 248 Ca -0.47 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1h38 h PRO 248 Cb 1.30 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1h38 h PRO 248 CO 0.92 0.13 -0.24 0.93 -0.21 0.00 0.00 178.00 179.52 1h38 h GLU 249 N 0.19 -0.66 -0.01 1.05 3.07 -1.95 -2.73 114.58 113.55 1h38 h GLU 249 Ca 0.42 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1h38 h GLU 249 Cb 0.75 0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.81 1h38 h GLU 249 CO -0.58 -0.40 0.04 1.88 -1.40 0.00 0.00 179.01 178.56 1h38 h TYR 250 N -0.76 0.00 0.00 4.33 0.99 -1.75 0.19 116.97 119.96 1h38 h TYR 250 Ca -0.07 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.52 1h38 h TYR 250 Cb 0.56 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.27 1h38 h TYR 250 CO -0.02 0.00 -0.82 0.00 -0.00 0.00 0.00 178.16 177.32 1h38 h ALA 251 N 1.92 0.61 -0.13 3.88 0.00 -1.01 -3.20 119.26 121.32 1h38 h ALA 251 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 54.91 54.12 1h38 h ALA 251 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1h38 h ALA 251 CO -0.00 0.84 -0.44 0.93 0.00 0.00 0.00 179.25 180.58 1h38 h GLU 252 N 0.00 0.52 0.53 0.00 5.08 -0.35 -2.56 114.58 117.80 1h38 h GLU 252 Ca -0.04 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 57.91 1h38 h GLU 252 Cb 1.52 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 1h38 h GLU 252 CO 0.08 1.02 -0.41 0.00 -1.00 0.00 0.00 179.01 178.69 1h38 h ALA 253 N 0.51 -0.96 -0.51 3.43 0.00 -1.49 0.36 119.26 120.60 1h38 h ALA 253 Ca -0.02 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.82 1h38 h ALA 253 Cb 1.07 0.54 -0.10 0.00 0.00 0.00 0.00 17.79 19.31 1h38 h ALA 253 CO 0.09 -1.07 -0.14 0.82 0.00 0.00 0.00 179.25 178.96 1h38 h ILE 254 N -0.92 0.47 -0.83 0.00 2.04 -1.63 0.91 117.51 117.55 1h38 h ILE 254 Ca -0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1h38 h ILE 254 Cb 0.78 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 1h38 h ILE 254 CO 0.01 0.00 0.53 0.00 0.00 0.00 0.00 178.15 178.69 1h38 h ALA 255 N 1.48 1.09 -0.24 1.87 0.00 -1.13 0.23 119.26 122.55 1h38 h ALA 255 Ca 0.24 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1h38 h ALA 255 Cb 0.39 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1h38 h ALA 255 CO -0.53 0.37 -0.21 1.15 0.00 0.00 0.00 179.25 180.03 1h38 h THR 256 N 1.04 1.31 -0.20 0.00 2.02 0.17 0.16 112.91 117.41 1h38 h THR 256 Ca 0.33 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.14 1h38 h THR 256 Cb -0.00 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1h38 h THR 256 CO -0.11 0.42 0.10 -0.09 0.37 0.00 0.00 175.52 176.21 1h38 h ARG 257 N 0.28 0.29 -0.05 6.66 1.12 0.11 -1.46 114.38 121.34 1h38 h ARG 257 Ca 0.04 -0.04 0.01 0.00 -1.11 0.00 0.00 59.98 58.88 1h38 h ARG 257 Cb 0.76 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.66 1h38 h ARG 257 CO 0.05 0.31 -0.02 0.00 -3.11 0.00 0.00 179.97 177.21 1h38 h ALA 258 N 0.96 0.03 0.04 2.80 0.00 -0.54 -1.33 119.26 121.21 1h38 h ALA 258 Ca 0.07 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1h38 h ALA 258 Cb 0.12 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1h38 h ALA 258 CO -0.01 -0.50 -0.24 0.78 0.00 0.00 0.00 179.25 179.28 1h38 h GLY 259 N -0.01 -1.21 -0.08 0.00 0.00 -0.47 -0.44 103.07 100.85 1h38 h GLY 259 Ca 0.02 0.59 0.15 0.00 0.00 0.00 0.00 47.33 48.10 1h38 h GLY 259 CO -0.05 -0.38 0.10 0.00 0.00 0.00 0.00 176.54 176.21 1h38 h ALA 260 N -1.07 0.81 -0.37 3.60 0.00 -1.22 -0.78 119.26 120.24 1h38 h ALA 260 Ca -0.00 0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1h38 h ALA 260 Cb 0.34 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 1h38 h ALA 260 CO -0.14 -0.36 -0.15 -0.07 0.00 0.00 0.00 179.25 178.52 1h38 h LEU 261 N 0.20 -0.53 -0.77 0.00 4.07 -0.84 -0.19 115.31 117.25 1h38 h LEU 261 Ca 0.38 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.47 1h38 h LEU 261 Cb 0.64 0.30 0.00 0.00 1.08 0.00 0.00 40.66 42.68 1h38 h LEU 261 CO -0.53 -0.19 0.16 0.00 -1.08 0.00 0.00 178.44 176.80 1h38 n ALA 262 N -2.77 0.79 -0.68 1.53 0.00 -0.21 -0.61 120.51 118.57 1h38 n ALA 262 Ca 0.02 0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.65 1h38 n ALA 262 Cb 0.25 -0.94 0.33 0.00 0.00 0.00 0.00 19.45 19.10 1h38 n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h38 n GLY 263 N -1.31 3.00 0.00 0.00 0.00 -0.08 -3.45 105.19 103.34 1h38 n GLY 263 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1h38 n GLY 263 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1h38 n ILE 264 N 0.74 0.14 -3.04 -0.61 5.41 0.23 -4.75 119.36 117.48 1h38 n ILE 264 Ca 0.24 -0.45 -0.31 0.00 1.00 0.00 0.00 62.75 63.23 1h38 n ILE 264 Cb 0.89 1.12 -0.04 0.00 -0.71 0.00 0.00 39.64 40.90 1h38 n ILE 264 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1h38 n SER 265 N -0.07 4.90 -4.77 4.38 7.64 -1.24 -4.96 113.62 119.50 1h38 n SER 265 Ca 0.00 -3.60 -0.39 0.00 1.01 0.00 0.00 58.87 55.90 1h38 n SER 265 Cb 0.11 -0.75 -0.05 0.00 -1.01 0.00 0.00 64.21 62.51 1h38 n SER 265 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1h38 s PRO 266 N -3.26 4.50 -0.93 1.43 0.04 -1.26 -3.99 135.00 131.52 1h38 s PRO 266 Ca 0.43 1.62 -0.19 0.00 0.04 0.00 0.00 61.00 62.91 1h38 s PRO 266 Cb 0.21 -2.94 0.13 0.00 0.04 0.00 0.00 34.50 31.93 1h38 s PRO 266 CO -0.08 0.13 1.14 -1.64 0.04 0.00 0.00 177.00 176.59 1h38 s MET 267 N -1.83 3.60 0.15 4.56 -1.94 -0.16 -4.88 119.30 118.81 1h38 s MET 267 Ca 0.49 -1.76 -0.33 0.00 -1.71 0.00 0.00 55.69 52.39 1h38 s MET 267 Cb -0.27 -4.93 -0.13 0.00 2.01 0.00 0.00 34.83 31.52 1h38 s MET 267 CO 0.34 -1.78 1.69 1.19 -0.01 0.00 0.00 175.02 176.45 1h38 n PHE 268 N 6.59 2.48 -4.30 -0.03 3.72 -1.26 -4.54 117.46 120.12 1h38 n PHE 268 Ca 0.24 0.11 -0.27 0.00 -0.05 0.00 0.00 57.45 57.48 1h38 n PHE 268 Cb 0.49 -2.62 -0.06 0.00 -0.94 0.00 0.00 39.48 36.34 1h38 n PHE 268 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1h38 s GLN 269 N 1.55 2.19 1.15 -1.08 -0.21 -1.26 -1.06 119.66 120.93 1h38 s GLN 269 Ca 0.79 -2.05 -0.17 0.00 0.02 0.00 0.00 55.36 53.95 1h38 s GLN 269 Cb -0.60 -1.85 0.26 0.00 1.00 0.00 0.00 33.01 31.82 1h38 s GLN 269 CO 0.37 -0.27 1.09 -2.14 -2.12 0.00 0.00 175.29 172.22 1h38 s PRO 270 N -3.95 -0.79 0.07 2.91 0.02 -1.26 -4.56 135.00 127.43 1h38 s PRO 270 Ca 0.30 0.17 0.04 0.00 0.02 0.00 0.00 61.00 61.53 1h38 s PRO 270 Cb 0.03 -1.63 -0.04 0.00 0.02 0.00 0.00 34.50 32.88 1h38 s PRO 270 CO 0.17 -3.47 0.01 0.00 -0.33 0.00 0.00 177.00 173.38 1h38 n VAL 272 N 0.74 0.07 -4.15 0.00 0.31 -1.26 0.12 118.33 114.15 1h38 n VAL 272 Ca -0.11 -0.08 -0.10 0.00 -0.01 0.00 0.00 64.34 64.04 1h38 n VAL 272 Cb 0.52 0.32 -0.10 0.00 -0.91 0.00 0.00 33.84 33.67 1h38 n VAL 272 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1h38 s VAL 273 N -3.06 0.58 0.32 2.52 -7.23 -1.26 -4.81 120.40 107.46 1h38 s VAL 273 Ca 0.09 -1.88 -0.28 0.00 -1.81 0.00 0.00 61.98 58.09 1h38 s VAL 273 Cb 0.16 -1.62 -0.13 0.00 0.56 0.00 0.00 36.38 35.36 1h38 s VAL 273 CO 0.75 -0.89 1.22 -2.65 -0.31 0.00 0.00 175.10 173.21 1h38 n PRO 274 N 0.03 1.91 -1.02 4.82 -0.02 -1.26 -4.62 135.00 134.84 1h38 n PRO 274 Ca -0.13 0.67 -0.33 0.00 -2.02 0.00 0.00 63.50 61.69 1h38 n PRO 274 Cb 0.61 -2.20 0.13 0.00 -0.02 0.00 0.00 33.50 32.02 1h38 n PRO 274 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1h38 n PRO 275 N 0.65 0.04 -2.16 0.52 -0.02 -1.26 -4.90 135.00 127.87 1h38 n PRO 275 Ca 0.06 0.08 -0.43 0.00 -2.02 0.00 0.00 63.50 61.20 1h38 n PRO 275 Cb 0.35 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 1h38 n PRO 275 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1h38 s LYS 276 N -3.94 3.98 0.23 -0.52 2.20 0.31 -4.87 119.74 117.13 1h38 s LYS 276 Ca 0.69 1.78 -0.31 0.00 -0.36 0.00 0.00 55.97 57.77 1h38 s LYS 276 Cb -0.28 -3.97 -0.14 0.00 -1.51 0.00 0.00 37.83 31.93 1h38 s LYS 276 CO 0.55 -1.06 1.23 -2.30 -0.36 0.00 0.00 175.35 173.41 1h38 n PRO 277 N 7.31 1.57 -2.30 4.03 -0.02 -1.26 -0.42 135.00 143.91 1h38 n PRO 277 Ca 0.17 0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 61.78 1h38 n PRO 277 Cb 0.45 -2.09 -0.02 0.00 -0.02 0.00 0.00 33.50 31.81 1h38 n PRO 277 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1h38 s TRP 278 N -0.36 2.64 -0.14 6.00 0.52 -1.26 -4.68 118.94 121.65 1h38 s TRP 278 Ca 0.68 0.79 0.10 0.00 0.02 0.00 0.00 56.10 57.69 1h38 s TRP 278 Cb -0.73 -3.62 -0.15 0.00 -1.15 0.00 0.00 33.47 27.82 1h38 s TRP 278 CO 0.53 -2.31 0.28 2.41 0.02 0.00 0.00 176.95 177.89 1h38 n THR 279 N 5.30 0.00 -3.00 2.01 -1.04 -1.26 -4.97 114.28 111.32 1h38 n THR 279 Ca 0.15 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1h38 n THR 279 Cb 0.44 0.47 0.00 0.00 -1.82 0.00 0.00 70.33 69.42 1h38 n THR 279 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1h38 n GLY 280 N 1.73 1.66 0.36 3.41 0.00 -1.26 -5.04 105.19 106.05 1h38 n GLY 280 Ca -0.01 -0.84 0.15 0.00 0.00 0.00 0.00 46.02 45.32 1h38 n GLY 280 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1h38 h ILE 281 N 0.61 0.84 -3.69 -0.61 5.03 -1.90 -3.43 117.51 114.36 1h38 h ILE 281 Ca 0.00 -0.09 -0.27 0.00 -0.12 0.00 0.00 64.86 64.39 1h38 h ILE 281 Cb 0.00 0.56 -0.07 0.00 -3.03 0.00 0.00 36.82 34.28 1h38 h ILE 281 CO 0.00 0.05 -0.22 0.35 -0.68 0.00 0.00 178.15 177.64 1h38 n THR 282 N -4.45 0.00 -0.83 -0.27 -2.24 -1.26 -0.37 114.28 104.86 1h38 n THR 282 Ca 0.09 -1.46 0.00 0.00 -2.27 0.00 0.00 64.05 60.42 1h38 n THR 282 Cb 0.45 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 1h38 n THR 282 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h38 n GLY 283 N -0.41 0.96 3.96 3.38 0.00 -1.12 -4.79 105.19 107.16 1h38 n GLY 283 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1h38 n GLY 283 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h38 s GLY 284 N -2.00 1.77 0.00 -0.02 0.00 -1.26 -4.73 107.32 101.08 1h38 s GLY 284 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.24 1h38 s GLY 284 CO 0.00 -0.83 0.00 0.61 0.00 0.00 0.00 173.10 172.88 1h38 n GLY 285 N -3.23 2.17 3.88 0.20 0.00 0.44 -4.60 105.19 104.04 1h38 n GLY 285 Ca 0.15 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1h38 n GLY 285 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h38 s TYR 286 N 0.00 3.57 -0.22 1.61 2.02 -1.26 0.11 117.35 123.18 1h38 s TYR 286 Ca 0.00 1.16 -0.17 0.00 -0.37 0.00 0.00 57.07 57.68 1h38 s TYR 286 Cb 0.00 -2.69 -0.13 0.00 -0.40 0.00 0.00 41.96 38.74 1h38 s TYR 286 CO 0.00 -0.68 -0.07 0.91 -1.57 0.00 0.00 175.55 174.14 1h38 n TRP 287 N -2.69 0.59 -0.82 2.71 7.02 -1.26 -4.60 117.44 118.39 1h38 n TRP 287 Ca 0.05 0.26 -0.34 0.00 -1.02 0.00 0.00 57.50 56.45 1h38 n TRP 287 Cb 0.55 -0.97 0.11 0.00 -2.42 0.00 0.00 31.31 28.58 1h38 n TRP 287 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1h38 n ALA 288 N -3.81 -3.66 -2.79 6.99 0.00 -1.26 -4.90 120.51 111.08 1h38 n ALA 288 Ca -0.34 -0.82 -0.39 0.00 0.00 0.00 0.00 53.44 51.89 1h38 n ALA 288 Cb 0.68 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1h38 n ALA 288 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1h38 n ASN 289 N -0.24 6.61 -4.77 0.00 5.03 -1.26 -5.04 115.26 115.59 1h38 n ASN 289 Ca 0.03 -3.62 -0.35 0.00 0.87 0.00 0.00 54.58 51.51 1h38 n ASN 289 Cb 0.57 -1.08 0.01 0.00 -1.02 0.00 0.00 39.78 38.26 1h38 n ASN 289 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1h38 s GLY 290 N -1.79 2.54 0.00 7.41 0.00 -1.26 -4.79 107.32 109.43 1h38 s GLY 290 Ca 0.39 0.77 0.00 0.00 0.00 0.00 0.00 44.72 45.88 1h38 s GLY 290 CO -0.08 1.12 0.48 0.54 0.00 0.00 0.00 173.10 175.17 1h38 n ARG 291 N -1.51 0.62 -3.21 2.90 5.12 -1.26 -3.37 116.66 115.95 1h38 n ARG 291 Ca 0.11 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.79 1h38 n ARG 291 Cb 0.51 -1.14 -0.06 0.00 -1.16 0.00 0.00 32.46 30.61 1h38 n ARG 291 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1h38 n ARG 292 N -0.19 2.02 -1.93 5.56 3.00 -1.26 -4.99 116.66 118.88 1h38 n ARG 292 Ca 0.00 -4.16 -0.41 0.00 -0.00 0.00 0.00 57.85 53.27 1h38 n ARG 292 Cb 0.07 -1.92 -0.01 0.00 0.00 0.00 0.00 32.46 30.60 1h38 n ARG 292 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 1h38 s PRO 293 N -2.42 4.21 0.22 -0.14 0.02 -1.22 -4.97 135.00 130.70 1h38 s PRO 293 Ca 0.41 2.42 -0.30 0.00 0.02 0.00 0.00 61.00 63.55 1h38 s PRO 293 Cb 0.22 -3.04 -0.09 0.00 0.02 0.00 0.00 34.50 31.61 1h38 s PRO 293 CO -0.08 -0.44 1.30 -0.51 -0.33 0.00 0.00 177.00 176.94 1h38 s LEU 294 N -1.27 4.42 0.10 -5.54 1.43 -1.26 -4.84 118.68 111.72 1h38 s LEU 294 Ca 0.56 2.42 -0.13 0.00 -1.03 0.00 0.00 54.13 55.95 1h38 s LEU 294 Cb -0.44 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.10 1h38 s LEU 294 CO 0.53 -0.51 0.47 0.00 0.23 0.00 0.00 176.35 177.07 1h38 s ALA 295 N -0.10 3.65 0.05 4.21 0.00 -1.26 -2.81 121.76 125.50 1h38 s ALA 295 Ca 0.55 -0.23 0.33 0.00 0.00 0.00 0.00 51.96 52.61 1h38 s ALA 295 Cb -0.37 -2.41 1.27 0.00 0.00 0.00 0.00 23.12 21.61 1h38 s ALA 295 CO 0.40 0.50 1.95 1.25 0.00 0.00 0.00 175.76 179.86 1h38 h LEU 296 N 3.82 0.00 -7.79 0.00 5.85 -0.98 -3.42 115.31 112.79 1h38 h LEU 296 Ca -0.49 0.00 -0.41 0.00 0.84 0.00 0.00 57.88 57.82 1h38 h LEU 296 Cb 1.20 0.00 -0.33 0.00 0.37 0.00 0.00 40.66 41.90 1h38 h LEU 296 CO 0.65 0.00 -0.77 -0.69 -0.34 0.00 0.00 178.44 177.29 1h38 s VAL 297 N -3.62 0.58 -1.21 1.05 1.01 -1.26 -3.02 120.40 113.93 1h38 s VAL 297 Ca 0.02 -0.17 -0.19 0.00 0.00 0.00 0.00 61.98 61.63 1h38 s VAL 297 Cb 0.09 -0.58 0.07 0.00 0.00 0.00 0.00 36.38 35.96 1h38 s VAL 297 CO 0.55 0.22 1.63 -0.13 0.00 0.00 0.00 175.10 177.38 1h38 s ARG 298 N 0.74 3.89 0.39 2.72 0.52 0.15 -4.95 118.95 122.41 1h38 s ARG 298 Ca -0.10 -1.81 0.02 0.00 -0.52 0.00 0.00 55.73 53.31 1h38 s ARG 298 Cb -0.13 -5.45 -0.01 0.00 0.52 0.00 0.00 34.95 29.88 1h38 s ARG 298 CO 0.01 -2.20 0.59 0.95 0.02 0.00 0.00 175.30 174.66 1h38 s THR 299 N 4.20 4.37 -0.11 0.02 -4.23 -1.26 -3.51 115.64 115.12 1h38 s THR 299 Ca 0.51 -0.60 -0.26 0.00 -1.18 0.00 0.00 61.69 60.15 1h38 s THR 299 Cb 0.02 -3.59 -0.28 0.00 1.34 0.00 0.00 72.50 70.00 1h38 s THR 299 CO 0.03 -0.36 0.81 0.45 -0.54 0.00 0.00 174.62 175.00 1h38 h HIS 300 N 0.62 0.19 -3.28 3.99 -0.00 -1.97 -3.46 115.15 111.24 1h38 h HIS 300 Ca -0.47 -0.14 -0.66 0.00 -0.00 0.00 0.00 60.37 59.10 1h38 h HIS 300 Cb 1.24 -0.01 -0.12 0.00 -0.00 0.00 0.00 27.41 28.52 1h38 h HIS 300 CO 0.46 1.12 -0.62 -1.54 -0.00 0.00 0.00 177.93 177.34 1h38 s SER 301 N -6.49 5.29 0.40 2.45 1.04 -1.26 -5.01 113.70 110.12 1h38 s SER 301 Ca -0.17 0.02 0.07 0.00 0.48 0.00 0.00 55.95 56.35 1h38 s SER 301 Cb -0.02 -1.41 0.85 0.00 0.10 0.00 0.00 66.02 65.54 1h38 s SER 301 CO 0.74 0.26 2.03 0.50 0.98 0.00 0.00 173.24 177.75 1h38 h LYS 302 N 4.12 0.58 -0.78 4.02 3.64 -2.01 -0.79 116.57 125.35 1h38 h LYS 302 Ca -0.49 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 58.92 1h38 h LYS 302 Cb 1.18 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.81 1h38 h LYS 302 CO 0.59 0.38 0.47 1.57 -2.27 0.00 0.00 179.45 180.20 1h38 h LYS 303 N 0.59 0.84 0.00 1.90 2.10 -2.00 -1.00 116.57 119.00 1h38 h LYS 303 Ca 0.20 -0.05 -0.04 0.00 -2.00 0.00 0.00 60.65 58.76 1h38 h LYS 303 Cb 0.08 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 31.22 1h38 h LYS 303 CO -0.05 0.55 -0.20 0.00 -2.00 0.00 0.00 179.45 177.75 1h38 h ALA 304 N 1.38 1.52 -0.14 0.07 0.00 -1.56 -2.52 119.26 118.02 1h38 h ALA 304 Ca 0.34 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1h38 h ALA 304 Cb 0.17 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1h38 h ALA 304 CO -0.17 0.25 -0.11 1.25 0.00 0.00 0.00 179.25 180.47 1h38 h LEU 305 N 0.00 0.33 -1.77 0.00 6.46 -0.94 -3.05 115.31 116.35 1h38 h LEU 305 Ca -0.00 -0.46 0.17 0.00 -0.12 0.00 0.00 57.88 57.46 1h38 h LEU 305 Cb 0.39 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.19 1h38 h LEU 305 CO 0.03 0.72 0.48 0.24 -0.62 0.00 0.00 178.44 179.29 1h38 h MET 306 N -0.05 0.21 0.00 1.25 2.86 -0.96 -0.54 114.93 117.70 1h38 h MET 306 Ca 0.02 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1h38 h MET 306 Cb 0.62 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1h38 h MET 306 CO 0.03 0.14 0.24 0.00 1.06 0.00 0.00 176.91 178.37 1h38 h ARG 307 N 0.22 0.00 0.00 1.72 3.08 -1.40 0.14 114.38 118.14 1h38 h ARG 307 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1h38 h ARG 307 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1h38 h ARG 307 CO -0.07 0.00 -1.57 0.66 -1.07 0.00 0.00 179.97 177.92 1h38 n TYR 308 N -2.16 0.10 -0.28 3.04 4.02 -0.21 -4.61 117.16 117.07 1h38 n TYR 308 Ca -0.01 0.03 -0.01 0.00 -0.01 0.00 0.00 57.90 57.90 1h38 n TYR 308 Cb 0.26 -0.40 0.03 0.00 -0.02 0.00 0.00 39.34 39.21 1h38 n TYR 308 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1h38 n GLU 309 N -2.07 -0.17 -0.53 -0.72 2.13 0.50 -0.56 120.64 119.22 1h38 n GLU 309 Ca -0.01 1.10 0.08 0.00 0.66 0.00 0.00 57.16 58.99 1h38 n GLU 309 Cb 0.49 -1.63 0.29 0.00 0.27 0.00 0.00 31.44 30.86 1h38 n GLU 309 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1h38 n ASP 310 N -5.05 4.25 -4.73 4.31 8.00 -1.26 -4.74 116.55 117.33 1h38 n ASP 310 Ca 0.07 -2.93 -0.41 0.00 0.71 0.00 0.00 54.79 52.23 1h38 n ASP 310 Cb 0.29 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 40.79 1h38 n ASP 310 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1h38 s VAL 311 N -2.70 4.19 -0.50 2.53 1.01 0.27 -4.99 120.40 120.22 1h38 s VAL 311 Ca 0.44 1.80 -0.22 0.00 0.00 0.00 0.00 61.98 64.00 1h38 s VAL 311 Cb 0.35 -4.15 0.04 0.00 0.00 0.00 0.00 36.38 32.61 1h38 s VAL 311 CO 0.11 0.27 0.80 -0.47 0.00 0.00 0.00 175.10 175.81 1h38 s TYR 312 N 0.07 2.93 -0.44 5.22 5.04 -1.26 -4.92 117.35 123.99 1h38 s TYR 312 Ca 0.50 -0.08 0.07 0.00 -2.44 0.00 0.00 57.07 55.11 1h38 s TYR 312 Cb -0.26 -3.78 0.24 0.00 0.35 0.00 0.00 41.96 38.50 1h38 s TYR 312 CO 0.32 -1.14 0.68 0.00 -1.34 0.00 0.00 175.55 174.07 1h38 n MET 313 N 6.87 0.70 -0.13 4.97 0.00 -1.26 -4.98 117.12 123.30 1h38 n MET 313 Ca -0.00 -2.52 -0.05 0.00 0.00 0.00 0.00 57.70 55.13 1h38 n MET 313 Cb 0.47 -1.36 0.04 0.00 0.00 0.00 0.00 33.22 32.37 1h38 n MET 313 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1h38 h PRO 314 N 4.14 0.29 -0.40 3.17 0.11 -1.91 -2.46 132.00 134.94 1h38 h PRO 314 Ca -0.01 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.15 1h38 h PRO 314 Cb 0.96 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 31.94 1h38 h PRO 314 CO 0.38 0.19 -0.00 0.93 -0.21 0.00 0.00 178.00 179.29 1h38 h GLU 315 N 0.30 0.10 0.28 1.05 4.39 -1.95 0.10 114.58 118.85 1h38 h GLU 315 Ca 0.20 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1h38 h GLU 315 Cb 0.19 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1h38 h GLU 315 CO -0.21 0.07 -0.31 0.28 -1.16 0.00 0.00 179.01 177.68 1h38 h VAL 316 N 0.10 0.36 -0.92 3.13 2.07 -1.64 -1.13 116.25 118.23 1h38 h VAL 316 Ca 0.20 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.79 1h38 h VAL 316 Cb 0.28 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 1h38 h VAL 316 CO -0.33 0.00 0.58 1.88 0.02 0.00 0.00 177.57 179.72 1h38 h TYR 317 N -0.62 1.07 0.07 1.57 0.05 -1.05 -1.69 116.97 116.36 1h38 h TYR 317 Ca -0.01 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.81 1h38 h TYR 317 Cb 0.58 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 1h38 h TYR 317 CO -0.20 0.53 -0.11 0.87 -1.05 0.00 0.00 178.16 178.20 1h38 h LYS 318 N 1.04 -0.22 0.39 4.88 1.57 -0.27 -0.51 116.57 123.45 1h38 h LYS 318 Ca 0.41 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.19 1h38 h LYS 318 Cb 0.21 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1h38 h LYS 318 CO -0.18 -0.15 -0.36 0.00 -0.57 0.00 0.00 179.45 178.19 1h38 h ALA 319 N 0.68 -1.06 -0.93 3.86 0.00 -0.76 0.21 119.26 121.27 1h38 h ALA 319 Ca 0.02 -0.14 0.27 0.00 0.00 0.00 0.00 54.91 55.05 1h38 h ALA 319 Cb 0.24 0.58 -0.15 0.00 0.00 0.00 0.00 17.79 18.46 1h38 h ALA 319 CO -0.06 -1.07 0.33 0.82 0.00 0.00 0.00 179.25 179.27 1h38 h ILE 320 N -0.74 0.29 -0.20 0.00 1.08 -1.25 0.29 117.51 116.98 1h38 h ILE 320 Ca -0.05 -0.08 -0.20 0.00 -0.39 0.00 0.00 64.86 64.15 1h38 h ILE 320 Cb 0.64 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.43 1h38 h ILE 320 CO -0.03 0.04 -0.66 0.78 -0.69 0.00 0.00 178.15 177.60 1h38 h ASN 321 N 0.23 0.84 0.36 1.72 2.35 -0.44 -1.73 115.58 118.92 1h38 h ASN 321 Ca 0.62 -0.50 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1h38 h ASN 321 Cb 1.32 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 1h38 h ASN 321 CO -0.66 1.28 -0.25 0.40 -1.65 0.00 0.00 177.43 176.56 1h38 h ILE 322 N 0.53 0.48 0.36 2.81 1.08 0.14 -2.49 117.51 120.42 1h38 h ILE 322 Ca -0.02 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.45 1h38 h ILE 322 Cb 1.26 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 35.46 1h38 h ILE 322 CO 0.13 0.00 -0.51 0.00 -0.69 0.00 0.00 178.15 177.08 1h38 h ALA 323 N -0.01 -1.07 0.00 1.87 0.00 -1.23 -0.25 119.26 118.57 1h38 h ALA 323 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1h38 h ALA 323 Cb 0.50 0.78 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1h38 h ALA 323 CO 0.02 -1.15 0.40 0.37 0.00 0.00 0.00 179.25 178.89 1h38 h GLN 324 N -0.91 0.00 -0.00 0.00 4.15 -1.27 0.67 115.11 117.75 1h38 h GLN 324 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1h38 h GLN 324 Cb 0.83 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.52 1h38 h GLN 324 CO -0.15 0.00 -0.66 -1.71 -1.93 0.00 0.00 178.83 174.38 1h38 n ASN 325 N -2.15 0.68 -4.72 -0.69 5.15 -0.11 -4.20 115.26 109.22 1h38 n ASN 325 Ca -0.01 -0.51 -0.42 0.00 -0.60 0.00 0.00 54.58 53.04 1h38 n ASN 325 Cb 0.42 0.50 -0.03 0.00 -0.53 0.00 0.00 39.78 40.14 1h38 n ASN 325 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1h38 s THR 326 N -2.99 2.33 -0.05 -0.44 2.01 0.23 -4.97 115.64 111.75 1h38 s THR 326 Ca 0.10 0.21 -0.17 0.00 0.31 0.00 0.00 61.69 62.15 1h38 s THR 326 Cb 0.17 -3.14 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 1h38 s THR 326 CO 0.75 0.02 0.45 0.00 -0.69 0.00 0.00 174.62 175.15 1h38 s ALA 327 N 1.29 3.59 0.43 7.40 0.00 -1.26 -4.61 121.76 128.59 1h38 s ALA 327 Ca 0.73 -0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.54 1h38 s ALA 327 Cb -0.47 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 1h38 s ALA 327 CO 0.32 0.25 0.05 -1.58 0.00 0.00 0.00 175.76 174.80 1h38 s TRP 328 N -0.30 1.98 0.06 0.00 0.52 0.19 -1.36 118.94 120.02 1h38 s TRP 328 Ca 0.25 -1.00 -0.25 0.00 0.02 0.00 0.00 56.10 55.12 1h38 s TRP 328 Cb -0.16 -1.46 0.06 0.00 -1.15 0.00 0.00 33.47 30.76 1h38 s TRP 328 CO 0.12 0.08 0.59 -1.59 0.02 0.00 0.00 176.95 176.18 1h38 s LYS 329 N -3.80 1.13 -0.02 4.98 -2.85 0.91 0.14 119.74 120.21 1h38 s LYS 329 Ca 0.22 -0.17 -0.30 0.00 -1.00 0.00 0.00 55.97 54.72 1h38 s LYS 329 Cb 0.05 0.52 -0.04 0.00 -2.06 0.00 0.00 37.83 36.30 1h38 s LYS 329 CO 0.11 -0.42 1.15 0.42 0.10 0.00 0.00 175.35 176.71 1h38 s ILE 330 N -2.52 4.35 -1.00 3.79 -1.09 -1.26 -1.25 121.20 122.21 1h38 s ILE 330 Ca -0.05 1.67 -0.23 0.00 -2.23 0.00 0.00 60.65 59.81 1h38 s ILE 330 Cb -0.01 -4.07 -0.03 0.00 -1.58 0.00 0.00 42.46 36.77 1h38 s ILE 330 CO -0.02 0.05 1.84 0.21 -1.23 0.00 0.00 174.94 175.79 1h38 s ASN 331 N 1.26 5.48 0.19 3.58 3.84 0.09 -4.80 114.94 124.59 1h38 s ASN 331 Ca 0.55 -1.12 -0.17 0.00 0.21 0.00 0.00 52.86 52.33 1h38 s ASN 331 Cb -0.25 -2.57 0.17 0.00 -0.55 0.00 0.00 41.25 38.06 1h38 s ASN 331 CO 0.24 -2.48 1.62 0.11 -2.79 0.00 0.00 177.10 173.79 1h38 h LYS 332 N 10.48 -0.08 -0.99 0.43 1.57 -1.89 -1.06 116.57 125.02 1h38 h LYS 332 Ca 0.16 0.01 0.21 0.00 -1.87 0.00 0.00 60.65 59.16 1h38 h LYS 332 Cb 0.98 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 33.21 1h38 h LYS 332 CO 1.27 -0.05 0.62 0.87 -0.57 0.00 0.00 179.45 181.58 1h38 h LYS 333 N -0.08 0.60 0.11 3.15 1.57 -2.00 -0.54 116.57 119.39 1h38 h LYS 333 Ca 0.26 -0.04 -0.29 0.00 -1.87 0.00 0.00 60.65 58.71 1h38 h LYS 333 Cb 0.48 -0.14 0.03 0.00 0.08 0.00 0.00 32.23 32.69 1h38 h LYS 333 CO -0.62 0.40 -1.23 0.28 -0.57 0.00 0.00 179.45 177.72 1h38 h VAL 334 N 0.62 1.30 -0.63 0.50 2.07 -1.57 -3.20 116.25 115.34 1h38 h VAL 334 Ca 0.57 -2.47 0.05 0.00 0.82 0.00 0.00 66.70 65.66 1h38 h VAL 334 Cb 1.08 2.67 -0.04 0.00 -1.52 0.00 0.00 31.29 33.49 1h38 h VAL 334 CO -0.33 0.75 0.41 0.25 0.02 0.00 0.00 177.57 178.67 1h38 h LEU 335 N 0.28 0.57 0.03 2.57 5.85 -0.20 -1.82 115.31 122.58 1h38 h LEU 335 Ca -0.18 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1h38 h LEU 335 Cb 1.90 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.79 1h38 h LEU 335 CO 0.23 0.38 -0.07 0.00 -0.34 0.00 0.00 178.44 178.64 1h38 h ALA 336 N 1.65 -0.10 -0.38 1.25 0.00 -1.24 0.42 119.26 120.86 1h38 h ALA 336 Ca 0.26 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1h38 h ALA 336 Cb 0.22 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1h38 h ALA 336 CO -0.08 -0.57 0.18 0.28 0.00 0.00 0.00 179.25 179.05 1h38 h VAL 337 N -0.14 0.96 -0.29 0.00 2.07 -1.36 -2.72 116.25 114.76 1h38 h VAL 337 Ca 0.02 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 1h38 h VAL 337 Cb 0.16 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1h38 h VAL 337 CO -0.05 0.07 -0.20 0.00 0.02 0.00 0.00 177.57 177.41 1h38 h ALA 338 N 1.21 0.42 -0.59 1.67 0.00 -1.09 -1.97 119.26 118.91 1h38 h ALA 338 Ca 0.16 -0.36 0.17 0.00 0.00 0.00 0.00 54.91 54.88 1h38 h ALA 338 Cb 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1h38 h ALA 338 CO -0.13 0.36 0.42 -0.97 0.00 0.00 0.00 179.25 178.94 1h38 h ASN 339 N 0.40 0.03 0.00 0.00 -1.24 -0.01 -1.34 115.58 113.42 1h38 h ASN 339 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.07 1h38 h ASN 339 Cb 0.74 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.79 1h38 h ASN 339 CO 0.05 0.01 0.00 0.52 -1.29 0.00 0.00 177.43 176.73 1h38 n VAL 340 N -4.37 0.00 0.30 2.57 0.31 -0.98 -4.26 118.33 111.89 1h38 n VAL 340 Ca 0.11 0.40 0.18 0.00 -0.01 0.00 0.00 64.34 65.02 1h38 n VAL 340 Cb 0.64 -1.20 0.95 0.00 -0.91 0.00 0.00 33.84 33.31 1h38 n VAL 340 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1h38 h ILE 341 N 0.00 0.12 0.00 2.52 3.07 -1.37 -1.61 117.51 120.23 1h38 h ILE 341 Ca 0.00 0.00 -0.04 0.00 1.55 0.00 0.00 64.86 66.37 1h38 h ILE 341 Cb 0.00 0.81 -0.01 0.00 -0.27 0.00 0.00 36.82 37.35 1h38 h ILE 341 CO 0.00 0.00 -0.20 0.71 -1.05 0.00 0.00 178.15 177.61 1h38 h THR 342 N 0.00 0.46 -0.00 0.16 1.35 -1.43 -0.58 112.91 112.87 1h38 h THR 342 Ca 0.03 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1h38 h THR 342 Cb 0.44 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1h38 h THR 342 CO -0.00 0.19 -0.22 2.29 -0.25 0.00 0.00 175.52 177.53 1h38 n LYS 343 N -3.33 0.62 -0.04 4.72 2.85 -0.61 -3.79 118.16 118.59 1h38 n LYS 343 Ca 0.00 -0.30 0.01 0.00 -1.05 0.00 0.00 58.31 56.97 1h38 n LYS 343 Cb 0.43 -1.49 -0.11 0.00 -0.65 0.00 0.00 35.03 33.20 1h38 n LYS 343 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1h38 n TRP 344 N -0.93 0.00 -4.40 5.58 7.02 -0.89 -4.99 117.44 118.82 1h38 n TRP 344 Ca 0.12 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.40 1h38 n TRP 344 Cb 0.32 -0.51 -0.14 0.00 -2.42 0.00 0.00 31.31 28.56 1h38 n TRP 344 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1h38 s LYS 345 N -2.70 0.90 0.11 -0.99 1.02 -0.28 -5.03 119.74 112.78 1h38 s LYS 345 Ca -0.06 -0.58 -0.20 0.00 0.02 0.00 0.00 55.97 55.16 1h38 s LYS 345 Cb 0.07 -0.87 -0.07 0.00 -0.52 0.00 0.00 37.83 36.44 1h38 s LYS 345 CO 0.60 0.23 1.71 0.45 -0.92 0.00 0.00 175.35 177.42 1h38 h HIS 346 N 5.37 0.29 -3.73 3.18 3.86 -1.87 -3.36 115.15 118.90 1h38 h HIS 346 Ca -0.35 -0.01 -0.65 0.00 -1.16 0.00 0.00 60.37 58.20 1h38 h HIS 346 Cb 1.18 -0.09 -0.38 0.00 1.06 0.00 0.00 27.41 29.17 1h38 h HIS 346 CO 0.47 0.26 -0.77 0.00 0.86 0.00 0.00 177.93 178.75 1h38 n PRO 348 N 4.43 0.00 -2.66 0.00 -0.02 -1.26 -1.61 135.00 133.88 1h38 n PRO 348 Ca -0.07 0.86 -0.19 0.00 -2.02 0.00 0.00 63.50 62.09 1h38 n PRO 348 Cb 0.42 -2.01 0.01 0.00 -0.02 0.00 0.00 33.50 31.90 1h38 n PRO 348 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1h38 n VAL 349 N -3.42 1.62 -0.06 -1.45 0.31 -1.26 -4.86 118.33 109.21 1h38 n VAL 349 Ca 0.33 -4.16 -0.07 0.00 -0.01 0.00 0.00 64.34 60.43 1h38 n VAL 349 Cb 1.56 -0.37 -0.08 0.00 -0.91 0.00 0.00 33.84 34.04 1h38 n VAL 349 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1h38 n GLU 350 N -0.22 1.41 -3.38 5.55 -0.58 -0.64 -4.90 120.64 117.89 1h38 n GLU 350 Ca 0.24 0.03 -0.18 0.00 -0.42 0.00 0.00 57.16 56.83 1h38 n GLU 350 Cb 0.71 -1.29 -0.09 0.00 -0.57 0.00 0.00 31.44 30.20 1h38 n GLU 350 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1h38 s ASP 351 N -4.82 1.47 -0.19 1.62 -0.00 -1.26 -5.11 116.67 108.37 1h38 s ASP 351 Ca -0.11 -1.49 -0.03 0.00 -0.00 0.00 0.00 52.55 50.91 1h38 s ASP 351 Cb 0.04 0.44 -0.02 0.00 -0.00 0.00 0.00 42.92 43.39 1h38 s ASP 351 CO 0.42 -0.29 -0.05 -0.63 -0.00 0.00 0.00 175.17 174.62 1h38 s ILE 352 N 1.57 3.52 -0.48 0.77 1.01 -1.26 -5.04 121.20 121.30 1h38 s ILE 352 Ca 0.16 -0.46 -0.43 0.00 0.00 0.00 0.00 60.65 59.91 1h38 s ILE 352 Cb -0.16 -2.57 -0.18 0.00 0.01 0.00 0.00 42.46 39.56 1h38 s ILE 352 CO -0.09 0.45 2.11 -2.65 0.00 0.00 0.00 174.94 174.76 1h38 n PRO 353 N 4.30 0.16 -4.61 2.79 -0.01 -1.26 -4.93 135.00 131.43 1h38 n PRO 353 Ca -0.18 0.04 -0.24 0.00 -0.01 0.00 0.00 63.50 63.12 1h38 n PRO 353 Cb 0.52 -1.63 -0.14 0.00 -0.01 0.00 0.00 33.50 32.23 1h38 n PRO 353 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1h38 s ALA 354 N 5.98 1.55 -1.08 3.55 0.00 -1.26 -5.16 121.76 125.34 1h38 s ALA 354 Ca 1.18 -0.94 -0.16 0.00 0.00 0.00 0.00 51.96 52.04 1h38 s ALA 354 Cb -1.41 -0.31 0.15 0.00 0.00 0.00 0.00 23.12 21.55 1h38 s ALA 354 CO 0.65 0.34 1.30 0.42 0.00 0.00 0.00 175.76 178.47 1h38 s ILE 355 N -0.73 4.88 -0.42 0.00 1.01 -1.26 -5.30 121.20 119.38 1h38 s ILE 355 Ca 0.06 -2.13 -0.16 0.00 0.00 0.00 0.00 60.65 58.42 1h38 s ILE 355 Cb -0.08 -4.86 0.02 0.00 0.01 0.00 0.00 42.46 37.55 1h38 s ILE 355 CO 0.01 -1.58 0.55 -0.62 0.00 0.00 0.00 174.94 173.31 1h38 n GLU 372 N 6.11 -2.46 0.00 2.79 -0.58 -1.26 -5.30 120.64 119.94 1h38 n GLU 372 Ca 0.31 2.15 0.00 0.00 -0.42 0.00 0.00 57.16 59.20 1h38 n GLU 372 Cb 0.46 -5.47 0.00 0.00 -0.57 0.00 0.00 31.44 25.85 1h38 n GLU 372 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1h38 n ALA 373 N -0.20 0.00 -0.31 0.62 0.00 -1.26 -4.32 120.51 115.03 1h38 n ALA 373 Ca 0.10 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.60 1h38 n ALA 373 Cb 0.43 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.17 1h38 n ALA 373 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1h38 h LEU 374 N 0.00 0.51 -0.77 0.00 4.07 -2.03 0.53 115.31 117.62 1h38 h LEU 374 Ca 0.00 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1h38 h LEU 374 Cb 0.00 0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.79 1h38 h LEU 374 CO 0.00 0.14 0.00 0.35 -1.08 0.00 0.00 178.44 177.85 1h38 n THR 375 N -4.92 0.00 0.00 0.22 -2.24 -1.26 -1.77 114.28 104.31 1h38 n THR 375 Ca 0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1h38 n THR 375 Cb 0.56 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1h38 n THR 375 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h38 n ALA 376 N 0.01 2.37 -0.02 6.98 0.00 0.18 -4.55 120.51 125.47 1h38 n ALA 376 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1h38 n ALA 376 Cb 0.13 0.25 -0.13 0.00 0.00 0.00 0.00 19.45 19.71 1h38 n ALA 376 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1h38 h TRP 377 N 0.00 0.23 0.00 0.00 4.06 -1.32 -2.92 115.95 115.99 1h38 h TRP 377 Ca 0.00 -0.16 -0.01 0.00 2.06 0.00 0.00 58.89 60.78 1h38 h TRP 377 Cb 0.51 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.65 1h38 h TRP 377 CO 0.00 1.08 -0.05 -0.22 -3.56 0.00 0.00 178.44 175.69 1h38 h LYS 378 N -0.68 0.00 0.35 0.49 1.63 -1.59 -0.34 116.57 116.43 1h38 h LYS 378 Ca -0.05 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 1h38 h LYS 378 Cb 1.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1h38 h LYS 378 CO 0.06 0.05 -0.17 -0.09 -3.45 0.00 0.00 179.45 175.85 1h38 h ARG 379 N 0.00 -0.45 -0.43 1.90 9.65 -1.69 -2.00 114.38 121.37 1h38 h ARG 379 Ca -0.00 0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.86 1h38 h ARG 379 Cb 0.21 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 1h38 h ARG 379 CO 0.01 -0.19 0.06 0.00 2.80 0.00 0.00 179.97 182.64 1h38 h ALA 380 N -0.07 1.31 0.11 2.80 0.00 -1.15 -2.71 119.26 119.55 1h38 h ALA 380 Ca -0.05 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1h38 h ALA 380 Cb 0.47 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1h38 h ALA 380 CO 0.08 0.48 -0.20 0.00 0.00 0.00 0.00 179.25 179.60 1h38 h ALA 381 N 1.44 -0.34 -0.08 0.00 0.00 -0.95 -0.94 119.26 118.38 1h38 h ALA 381 Ca 0.14 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1h38 h ALA 381 Cb 0.31 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1h38 h ALA 381 CO 0.00 -0.73 0.10 0.00 0.00 0.00 0.00 179.25 178.62 1h38 h ALA 382 N 0.41 1.61 -0.01 0.00 0.00 -1.10 -1.42 119.26 118.76 1h38 h ALA 382 Ca 0.03 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1h38 h ALA 382 Cb 0.41 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1h38 h ALA 382 CO -0.11 -0.14 -0.33 0.00 0.00 0.00 0.00 179.25 178.67 1h38 h ALA 383 N 1.88 0.06 -0.50 0.00 0.00 -0.92 -2.45 119.26 117.33 1h38 h ALA 383 Ca 0.04 -0.48 0.05 0.00 0.00 0.00 0.00 54.91 54.52 1h38 h ALA 383 Cb 0.24 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1h38 h ALA 383 CO -0.00 0.15 0.33 0.28 0.00 0.00 0.00 179.25 180.01 1h38 h VAL 384 N -0.36 1.01 -0.06 0.00 2.07 -0.13 0.29 116.25 119.07 1h38 h VAL 384 Ca -0.04 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1h38 h VAL 384 Cb 1.05 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1h38 h VAL 384 CO 0.07 0.09 -0.10 0.22 0.02 0.00 0.00 177.57 177.87 1h38 h TYR 385 N 0.49 0.20 -0.87 1.57 5.03 -1.48 -2.64 116.97 119.28 1h38 h TYR 385 Ca 0.21 -0.07 -0.01 0.00 2.58 0.00 0.00 58.73 61.44 1h38 h TYR 385 Cb 0.21 -0.04 -0.04 0.00 1.55 0.00 0.00 36.73 38.41 1h38 h TYR 385 CO -0.00 0.68 0.50 -0.09 -1.32 0.00 0.00 178.16 177.93 1h38 h ARG 386 N -0.33 1.19 -0.58 1.82 2.43 -0.85 -1.33 114.38 116.74 1h38 h ARG 386 Ca 0.00 -0.12 0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1h38 h ARG 386 Cb 0.66 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 1h38 h ARG 386 CO 0.02 0.85 0.35 -0.22 -1.51 0.00 0.00 179.97 179.47 1h38 h LYS 387 N 1.21 0.68 -0.65 0.20 3.64 -0.44 0.65 116.57 121.85 1h38 h LYS 387 Ca 0.31 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.57 1h38 h LYS 387 Cb -0.02 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 1h38 h LYS 387 CO -0.05 0.45 0.10 0.22 -2.27 0.00 0.00 179.45 177.90 1h38 h ASP 388 N 0.70 1.04 -0.84 4.20 1.82 -1.07 -0.21 116.42 122.07 1h38 h ASP 388 Ca 0.23 -0.26 -0.02 0.00 -0.39 0.00 0.00 57.03 56.59 1h38 h ASP 388 Cb 0.02 -0.28 -0.04 0.00 0.68 0.00 0.00 39.33 39.71 1h38 h ASP 388 CO -0.10 1.04 0.45 0.50 -1.61 0.00 0.00 179.24 179.52 1h38 h LYS 389 N 1.00 1.18 0.09 0.28 3.64 -0.57 -2.03 116.57 120.17 1h38 h LYS 389 Ca 0.20 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1h38 h LYS 389 Cb 0.44 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1h38 h LYS 389 CO 0.01 0.88 -0.05 0.00 -2.27 0.00 0.00 179.45 178.03 1h38 h ALA 390 N 1.24 -0.13 -0.40 5.00 0.00 -0.40 -1.40 119.26 123.16 1h38 h ALA 390 Ca 0.29 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.28 1h38 h ALA 390 Cb 0.05 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1h38 h ALA 390 CO -0.05 -0.55 0.31 -0.09 0.00 0.00 0.00 179.25 178.88 1h38 h ARG 391 N -0.17 0.00 0.19 0.00 2.43 -0.80 0.92 114.38 116.95 1h38 h ARG 391 Ca -0.01 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.84 1h38 h ARG 391 Cb 0.13 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1h38 h ARG 391 CO 0.02 0.00 -1.45 -0.22 -1.51 0.00 0.00 179.97 176.81 1h38 h LYS 392 N 0.00 0.41 -0.43 0.20 3.64 -0.73 -2.95 116.57 116.71 1h38 h LYS 392 Ca 0.19 -0.70 -0.10 0.00 -1.27 0.00 0.00 60.65 58.77 1h38 h LYS 392 Cb 0.82 0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1h38 h LYS 392 CO -0.00 1.32 -0.14 0.66 -2.27 0.00 0.00 179.45 179.02 1h38 h SER 393 N 0.11 0.86 -0.64 4.20 4.64 -0.21 -2.37 113.55 120.16 1h38 h SER 393 Ca -0.23 -0.38 -0.01 0.00 -0.47 0.00 0.00 61.79 60.70 1h38 h SER 393 Cb 2.09 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 63.91 1h38 h SER 393 CO 0.23 1.04 0.35 0.03 -0.87 0.00 0.00 176.83 177.61 1h38 h ARG 394 N 0.67 0.91 -0.44 4.77 3.08 -0.97 -2.54 114.38 119.86 1h38 h ARG 394 Ca 0.10 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1h38 h ARG 394 Cb 0.69 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1h38 h ARG 394 CO 0.05 0.68 0.21 -0.09 -1.07 0.00 0.00 179.97 179.75 1h38 h ARG 395 N 0.92 0.63 -0.39 0.04 9.65 -1.33 -0.85 114.38 123.05 1h38 h ARG 395 Ca 0.23 -0.09 0.04 0.00 -1.10 0.00 0.00 59.98 59.06 1h38 h ARG 395 Cb 0.04 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.47 1h38 h ARG 395 CO -0.04 0.54 0.17 0.82 2.80 0.00 0.00 179.97 184.26 1h38 h ILE 396 N 0.57 0.93 0.01 1.20 1.08 -1.01 -0.24 117.51 120.04 1h38 h ILE 396 Ca 0.15 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.50 1h38 h ILE 396 Cb 0.11 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.41 1h38 h ILE 396 CO -0.02 0.06 -0.01 -1.28 -0.69 0.00 0.00 178.15 176.22 1h38 h SER 397 N 0.35 -0.02 -0.57 1.72 0.87 -1.34 -2.24 113.55 112.31 1h38 h SER 397 Ca 0.18 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.82 1h38 h SER 397 Cb 0.12 0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.02 1h38 h SER 397 CO -0.15 -0.01 0.21 0.25 -0.53 0.00 0.00 176.83 176.59 1h38 h LEU 398 N -0.02 0.21 -0.89 2.23 6.46 -0.75 -0.76 115.31 121.79 1h38 h LEU 398 Ca 0.00 0.07 0.03 0.00 -0.12 0.00 0.00 57.88 57.86 1h38 h LEU 398 Cb 0.02 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 39.95 1h38 h LEU 398 CO -0.00 0.13 0.58 -0.33 -0.62 0.00 0.00 178.44 178.20 1h38 h GLU 399 N 0.39 1.09 0.35 1.25 5.08 -0.74 -1.21 114.58 120.80 1h38 h GLU 399 Ca 0.28 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1h38 h GLU 399 Cb 0.33 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1h38 h GLU 399 CO -0.28 0.72 -0.17 0.35 -1.00 0.00 0.00 179.01 178.63 1h38 h PHE 400 N 1.13 -0.43 -0.19 4.33 3.04 -0.58 -1.45 116.94 122.78 1h38 h PHE 400 Ca 0.35 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.34 1h38 h PHE 400 Cb -0.01 0.14 -0.05 0.00 2.56 0.00 0.00 35.95 38.59 1h38 h PHE 400 CO -0.02 -0.18 -0.12 0.52 -2.02 0.00 0.00 178.31 176.49 1h38 h MET 401 N -0.61 -0.11 -0.63 1.11 0.00 -1.12 0.14 114.93 113.71 1h38 h MET 401 Ca -0.05 0.01 0.11 0.00 0.00 0.00 0.00 59.70 59.77 1h38 h MET 401 Cb 0.44 0.03 -0.08 0.00 0.00 0.00 0.00 31.60 31.99 1h38 h MET 401 CO 0.08 -0.07 0.21 -0.07 0.00 0.00 0.00 176.91 177.05 1h38 h LEU 402 N -0.11 0.17 -0.50 1.22 3.38 -1.15 0.79 115.31 119.10 1h38 h LEU 402 Ca 0.11 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1h38 h LEU 402 Cb 0.28 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1h38 h LEU 402 CO -0.27 0.09 0.33 -0.08 0.09 0.00 0.00 178.44 178.61 1h38 h GLU 403 N 0.37 0.66 -0.57 1.13 4.22 -0.48 -0.53 114.58 119.39 1h38 h GLU 403 Ca 0.33 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.71 1h38 h GLU 403 Cb 0.45 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1h38 h GLU 403 CO -0.35 0.44 0.26 0.37 -2.18 0.00 0.00 179.01 177.55 1h38 h GLN 404 N 0.68 0.82 0.71 1.92 5.75 0.13 -1.38 115.11 123.75 1h38 h GLN 404 Ca 0.18 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 1h38 h GLN 404 Cb -0.08 -0.15 0.01 0.00 1.07 0.00 0.00 27.48 28.33 1h38 h GLN 404 CO -0.04 0.68 -0.34 0.00 -2.65 0.00 0.00 178.83 176.48 1h38 h ALA 405 N 1.10 -0.96 -1.00 3.38 0.00 0.95 -2.91 119.26 119.83 1h38 h ALA 405 Ca 0.19 -0.22 0.23 0.00 0.00 0.00 0.00 54.91 55.12 1h38 h ALA 405 Cb 0.14 0.37 -0.12 0.00 0.00 0.00 0.00 17.79 18.17 1h38 h ALA 405 CO -0.02 -1.00 0.59 -0.91 0.00 0.00 0.00 179.25 177.91 1h38 h ASN 406 N -1.04 0.69 -1.00 0.00 2.35 -1.03 0.73 115.58 116.28 1h38 h ASN 406 Ca -0.10 0.13 0.07 0.00 -0.55 0.00 0.00 56.30 55.85 1h38 h ASN 406 Cb 0.75 0.02 -0.07 0.00 0.05 0.00 0.00 38.32 39.07 1h38 h ASN 406 CO 0.16 0.14 0.65 0.50 -1.65 0.00 0.00 177.43 177.23 1h38 h LYS 407 N 0.62 1.12 -0.49 0.81 3.64 -1.06 -2.47 116.57 118.73 1h38 h LYS 407 Ca 0.63 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 1h38 h LYS 407 Cb 1.14 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1h38 h LYS 407 CO -0.46 0.74 0.00 1.19 -2.27 0.00 0.00 179.45 178.65 1h38 n PHE 408 N -4.51 0.65 -0.23 1.91 3.72 0.04 -4.59 117.46 114.46 1h38 n PHE 408 Ca 0.16 -0.42 0.27 0.00 -0.05 0.00 0.00 57.45 57.41 1h38 n PHE 408 Cb 0.21 -0.01 0.66 0.00 -0.94 0.00 0.00 39.48 39.40 1h38 n PHE 408 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1h38 h ALA 409 N 3.44 2.69 -0.20 4.37 0.00 -0.49 -1.91 119.26 127.16 1h38 h ALA 409 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1h38 h ALA 409 Cb 0.87 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1h38 h ALA 409 CO 0.00 -0.97 0.00 0.09 0.00 0.00 0.00 179.25 178.37 1h38 n ASN 410 N -4.35 2.93 -4.78 0.00 5.03 -1.26 -4.68 115.26 108.16 1h38 n ASN 410 Ca 0.20 -1.87 -0.37 0.00 0.87 0.00 0.00 54.58 53.41 1h38 n ASN 410 Cb 0.94 -0.12 -0.03 0.00 -1.02 0.00 0.00 39.78 39.55 1h38 n ASN 410 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1h38 s HIS 411 N -1.46 3.11 -0.64 3.10 3.76 -0.72 -4.87 115.29 117.57 1h38 s HIS 411 Ca 0.28 1.60 0.21 0.00 -0.15 0.00 0.00 55.06 57.00 1h38 s HIS 411 Cb 0.18 -3.22 0.88 0.00 1.11 0.00 0.00 32.58 31.53 1h38 s HIS 411 CO 0.26 -0.97 1.65 1.63 -0.85 0.00 0.00 174.74 176.45 1h38 n LYS 412 N -0.25 0.14 -3.64 1.40 4.01 -1.26 -4.75 118.16 113.81 1h38 n LYS 412 Ca 0.06 0.36 -0.02 0.00 -0.51 0.00 0.00 58.31 58.20 1h38 n LYS 412 Cb 0.49 -1.76 -0.03 0.00 -0.51 0.00 0.00 35.03 33.21 1h38 n LYS 412 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1h38 s ALA 413 N -3.21 -2.15 0.04 7.82 0.00 -1.26 -4.83 121.76 118.17 1h38 s ALA 413 Ca 0.05 1.90 0.00 0.00 0.00 0.00 0.00 51.96 53.92 1h38 s ALA 413 Cb 0.10 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 1h38 s ALA 413 CO 0.37 -0.33 -0.04 0.96 0.00 0.00 0.00 175.76 176.72 1h38 s ILE 414 N -1.34 0.28 0.19 0.00 -4.36 0.36 -4.73 121.20 111.60 1h38 s ILE 414 Ca 0.10 -1.36 0.05 0.00 -0.26 0.00 0.00 60.65 59.18 1h38 s ILE 414 Cb -0.01 -0.91 -0.05 0.00 1.25 0.00 0.00 42.46 42.75 1h38 s ILE 414 CO -0.06 -0.69 -0.08 0.26 0.24 0.00 0.00 174.94 174.60 1h38 s TRP 415 N -2.53 1.47 -0.12 1.37 0.51 0.32 -0.64 118.94 119.32 1h38 s TRP 415 Ca -0.04 -0.77 0.01 0.00 -2.12 0.00 0.00 56.10 53.18 1h38 s TRP 415 Cb -0.02 -0.77 0.02 0.00 -0.81 0.00 0.00 33.47 31.88 1h38 s TRP 415 CO -0.04 0.11 -0.15 -0.06 -0.51 0.00 0.00 176.95 176.30 1h38 s PHE 416 N -3.27 2.01 0.77 -1.98 0.08 -1.26 0.22 117.98 114.54 1h38 s PHE 416 Ca 0.22 -0.98 -0.11 0.00 0.12 0.00 0.00 56.93 56.18 1h38 s PHE 416 Cb 0.03 -1.45 0.06 0.00 -0.57 0.00 0.00 43.02 41.08 1h38 s PHE 416 CO 0.05 -0.51 1.10 -1.25 -0.10 0.00 0.00 175.22 174.50 1h38 s PRO 417 N 1.08 2.23 0.06 0.24 0.04 -1.26 -4.59 135.00 132.79 1h38 s PRO 417 Ca -0.05 1.22 0.03 0.00 0.04 0.00 0.00 61.00 62.24 1h38 s PRO 417 Cb -0.15 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 1h38 s PRO 417 CO -0.03 -1.67 -0.09 0.71 0.04 0.00 0.00 177.00 175.95 1h38 s TYR 418 N -2.83 0.84 0.21 0.56 1.51 -1.26 -1.05 117.35 115.32 1h38 s TYR 418 Ca 0.62 -0.54 0.02 0.00 -1.01 0.00 0.00 57.07 56.16 1h38 s TYR 418 Cb -0.18 -0.49 -0.01 0.00 -0.11 0.00 0.00 41.96 41.18 1h38 s TYR 418 CO 0.55 -0.05 0.06 0.09 -1.11 0.00 0.00 175.55 175.09 1h38 n ASN 419 N 1.23 1.25 -3.88 2.29 5.03 -0.54 -4.89 115.26 115.75 1h38 n ASN 419 Ca -0.21 -2.07 -0.11 0.00 0.87 0.00 0.00 54.58 53.06 1h38 n ASN 419 Cb 0.55 0.47 -0.12 0.00 -1.02 0.00 0.00 39.78 39.67 1h38 n ASN 419 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1h38 s MET 420 N -2.78 0.25 0.85 3.52 -1.94 -1.17 -1.15 119.30 116.88 1h38 s MET 420 Ca 0.09 -0.18 -0.11 0.00 -1.71 0.00 0.00 55.69 53.78 1h38 s MET 420 Cb 0.00 0.10 0.14 0.00 2.01 0.00 0.00 34.83 37.09 1h38 s MET 420 CO 0.06 -0.05 1.19 0.16 -0.01 0.00 0.00 175.02 176.37 1h38 s ASP 421 N -0.66 3.89 0.03 3.03 1.47 -0.69 -0.67 116.67 123.07 1h38 s ASP 421 Ca -0.07 0.30 0.02 0.00 1.18 0.00 0.00 52.55 53.97 1h38 s ASP 421 Cb -0.05 -0.59 0.09 0.00 -0.34 0.00 0.00 42.92 42.04 1h38 s ASP 421 CO 0.00 -2.23 0.95 -2.67 0.68 0.00 0.00 175.17 171.90 1h38 n TRP 422 N -3.38 0.06 0.83 2.11 2.14 -1.23 -0.49 117.44 117.49 1h38 n TRP 422 Ca 0.12 0.03 0.09 0.00 2.07 0.00 0.00 57.50 59.82 1h38 n TRP 422 Cb 0.60 -0.44 -0.00 0.00 -0.81 0.00 0.00 31.31 30.66 1h38 n TRP 422 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 1h38 n ARG 423 N -1.47 1.49 0.00 -2.67 3.00 -1.26 -4.58 116.66 111.17 1h38 n ARG 423 Ca -0.00 -0.91 0.00 0.00 -0.01 0.00 0.00 57.85 56.93 1h38 n ARG 423 Cb 0.11 -1.36 0.00 0.00 0.00 0.00 0.00 32.46 31.21 1h38 n ARG 423 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1h38 n GLY 424 N 1.26 0.51 3.76 -0.13 0.00 0.36 -3.96 105.19 106.99 1h38 n GLY 424 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1h38 n GLY 424 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h38 s ARG 425 N -0.68 4.41 -0.07 1.61 0.52 -1.26 -4.74 118.95 118.74 1h38 s ARG 425 Ca 0.00 2.12 -0.25 0.00 -0.52 0.00 0.00 55.73 57.08 1h38 s ARG 425 Cb 0.00 -3.11 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 1h38 s ARG 425 CO 0.00 -0.12 0.79 0.08 0.02 0.00 0.00 175.30 176.07 1h38 s VAL 426 N -0.99 4.98 -0.03 3.52 1.01 -1.26 -1.70 120.40 125.93 1h38 s VAL 426 Ca 0.49 1.61 0.04 0.00 0.00 0.00 0.00 61.98 64.13 1h38 s VAL 426 Cb -0.38 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 31.88 1h38 s VAL 426 CO 0.49 0.19 -0.16 -0.31 0.00 0.00 0.00 175.10 175.31 1h38 s TYR 427 N 1.11 1.52 0.38 5.22 1.51 -0.30 -4.73 117.35 122.06 1h38 s TYR 427 Ca 0.41 -0.37 -0.25 0.00 -1.01 0.00 0.00 57.07 55.85 1h38 s TYR 427 Cb -0.18 -1.01 -0.09 0.00 -0.11 0.00 0.00 41.96 40.57 1h38 s TYR 427 CO 0.19 -0.10 1.05 0.00 -1.11 0.00 0.00 175.55 175.58 1h38 s ALA 428 N -0.12 3.12 -0.05 3.71 0.00 -1.26 -1.46 121.76 125.70 1h38 s ALA 428 Ca 0.01 0.71 -0.21 0.00 0.00 0.00 0.00 51.96 52.46 1h38 s ALA 428 Cb -0.09 -3.27 -0.31 0.00 0.00 0.00 0.00 23.12 19.44 1h38 s ALA 428 CO 0.01 -0.18 0.88 0.28 0.00 0.00 0.00 175.76 176.74 1h38 h VAL 429 N 2.30 1.46 -3.92 0.00 2.07 -1.41 -3.47 116.25 113.28 1h38 h VAL 429 Ca -0.48 -2.54 -0.53 0.00 0.82 0.00 0.00 66.70 63.97 1h38 h VAL 429 Cb 1.21 3.16 0.09 0.00 -1.52 0.00 0.00 31.29 34.23 1h38 h VAL 429 CO 0.63 0.72 0.71 -0.94 0.02 0.00 0.00 177.57 178.71 1h38 s SER 430 N -7.02 6.50 0.27 0.57 1.04 -1.26 -4.83 113.70 108.97 1h38 s SER 430 Ca -0.14 2.88 0.01 0.00 0.48 0.00 0.00 55.95 59.19 1h38 s SER 430 Cb 0.01 -2.66 0.61 0.00 0.10 0.00 0.00 66.02 64.08 1h38 s SER 430 CO 0.84 -0.75 1.75 0.24 0.98 0.00 0.00 173.24 176.30 1h38 h MET 431 N 3.11 0.58 -5.28 4.02 0.00 -1.44 -3.30 114.93 112.62 1h38 h MET 431 Ca -0.50 -0.03 -0.66 0.00 0.00 0.00 0.00 59.70 58.50 1h38 h MET 431 Cb 1.24 -0.13 -0.16 0.00 0.00 0.00 0.00 31.60 32.55 1h38 h MET 431 CO 0.64 0.38 0.16 0.12 0.00 0.00 0.00 176.91 178.22 1h38 s PHE 432 N -5.94 3.01 0.23 -0.22 5.36 -1.26 -5.01 117.98 114.16 1h38 s PHE 432 Ca -0.12 -0.26 -0.10 0.00 -0.96 0.00 0.00 56.93 55.49 1h38 s PHE 432 Cb 0.23 -3.54 -0.01 0.00 -0.34 0.00 0.00 43.02 39.36 1h38 s PHE 432 CO 0.78 -1.02 0.40 0.54 -1.46 0.00 0.00 175.22 174.46 1h38 s ASN 433 N 2.43 -0.04 0.52 6.13 2.20 -1.24 -4.70 114.94 120.24 1h38 s ASN 433 Ca 0.20 -1.01 0.35 0.00 -0.94 0.00 0.00 52.86 51.47 1h38 s ASN 433 Cb -0.16 0.54 1.88 0.00 -2.00 0.00 0.00 41.25 41.51 1h38 s ASN 433 CO 0.16 -1.06 2.07 -0.65 -2.94 0.00 0.00 177.10 174.68 1h38 h PRO 434 N 2.34 0.00 -0.85 3.55 0.11 -1.93 -2.34 132.00 132.89 1h38 h PRO 434 Ca -0.28 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.70 1h38 h PRO 434 Cb 1.25 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.28 1h38 h PRO 434 CO 0.40 0.00 0.16 1.04 -0.21 0.00 0.00 178.00 179.39 1h38 n GLN 435 N -2.74 2.70 0.00 1.05 6.02 -1.26 -4.72 117.38 118.42 1h38 n GLN 435 Ca -0.02 -1.85 0.00 0.00 -0.01 0.00 0.00 57.00 55.12 1h38 n GLN 435 Cb 0.07 -1.86 0.00 0.00 1.02 0.00 0.00 30.24 29.47 1h38 n GLN 435 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1h38 n GLY 436 N 0.02 -0.23 3.17 1.08 0.00 -0.88 -5.07 105.19 103.28 1h38 n GLY 436 Ca 0.24 -1.26 -0.22 0.00 0.00 0.00 0.00 46.02 44.78 1h38 n GLY 436 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1h38 n ASN 437 N 0.00 2.46 -0.19 1.61 2.04 -1.26 -4.80 115.26 115.12 1h38 n ASN 437 Ca 0.00 -2.57 -0.01 0.00 -0.44 0.00 0.00 54.58 51.56 1h38 n ASN 437 Cb 0.00 -0.04 0.07 0.00 -2.53 0.00 0.00 39.78 37.28 1h38 n ASN 437 CO 0.00 0.00 0.00 -0.78 -0.44 0.00 0.00 177.26 176.04 1h38 h ASP 438 N 0.54 -0.34 -0.17 0.53 3.58 -1.98 0.81 116.42 119.39 1h38 h ASP 438 Ca -0.29 0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.29 1h38 h ASP 438 Cb 1.06 0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.38 1h38 h ASP 438 CO 0.45 -0.13 0.02 -0.03 -2.88 0.00 0.00 179.24 176.68 1h38 h MET 439 N 0.08 0.29 0.25 0.28 4.05 -1.96 0.58 114.93 118.49 1h38 h MET 439 Ca 0.29 -0.08 -0.00 0.00 -0.28 0.00 0.00 59.70 59.62 1h38 h MET 439 Cb 0.45 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 1h38 h MET 439 CO -0.52 0.47 -0.21 1.15 0.23 0.00 0.00 176.91 178.03 1h38 h THR 440 N 0.07 0.55 -0.43 -0.77 2.02 -1.66 0.52 112.91 113.21 1h38 h THR 440 Ca 0.05 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.30 1h38 h THR 440 Cb 0.32 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 67.22 1h38 h THR 440 CO 0.00 0.00 0.08 0.11 0.37 0.00 0.00 175.52 176.08 1h38 h LYS 441 N -0.48 0.20 -0.64 6.66 1.57 0.73 -1.12 116.57 123.49 1h38 h LYS 441 Ca -0.01 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.87 1h38 h LYS 441 Cb 0.43 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 1h38 h LYS 441 CO -0.02 0.13 0.43 0.78 -0.57 0.00 0.00 179.45 180.20 1h38 h GLY 442 N 0.20 0.57 1.82 3.86 0.00 0.80 0.51 103.07 110.83 1h38 h GLY 442 Ca 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1h38 h GLY 442 CO -0.28 0.08 0.00 1.04 0.00 0.00 0.00 176.54 177.38 1h38 n LEU 443 N -4.47 0.00 -4.57 3.11 4.77 0.12 -4.68 117.00 111.29 1h38 n LEU 443 Ca 0.11 0.41 -0.33 0.00 -0.03 0.00 0.00 56.01 56.17 1h38 n LEU 443 Cb 0.43 -0.41 -0.11 0.00 -2.33 0.00 0.00 43.42 41.00 1h38 n LEU 443 CO 0.34 -0.00 -0.40 -0.76 -1.33 0.00 0.00 177.39 175.24 1h38 s LEU 444 N -2.82 3.09 0.07 2.23 1.43 0.17 -0.73 118.68 122.11 1h38 s LEU 444 Ca 0.20 -0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 53.02 1h38 s LEU 444 Cb 0.19 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.70 1h38 s LEU 444 CO 0.50 0.31 0.32 0.28 0.23 0.00 0.00 176.35 177.99 1h38 s THR 445 N -0.92 0.08 0.43 5.49 -1.32 -0.38 -4.79 115.64 114.23 1h38 s THR 445 Ca 0.15 -0.69 -0.25 0.00 -1.21 0.00 0.00 61.69 59.69 1h38 s THR 445 Cb -0.11 -1.04 -0.08 0.00 -1.51 0.00 0.00 72.50 69.76 1h38 s THR 445 CO 0.05 -0.38 1.29 -0.76 -2.21 0.00 0.00 174.62 172.61 1h38 s LEU 446 N -2.31 4.15 0.01 9.08 1.43 -1.10 -0.07 118.68 129.88 1h38 s LEU 446 Ca -0.02 2.61 -0.09 0.00 -1.03 0.00 0.00 54.13 55.60 1h38 s LEU 446 Cb 0.00 -3.99 -0.31 0.00 0.03 0.00 0.00 46.19 41.93 1h38 s LEU 446 CO -0.06 -0.93 0.91 0.00 0.23 0.00 0.00 176.35 176.50 1h38 h ALA 447 N 2.47 0.08 -2.56 4.21 0.00 -1.43 -3.42 119.26 118.60 1h38 h ALA 447 Ca -0.50 -1.00 -0.73 0.00 0.00 0.00 0.00 54.91 52.68 1h38 h ALA 447 Cb 1.25 0.24 -0.28 0.00 0.00 0.00 0.00 17.79 19.00 1h38 h ALA 447 CO 0.62 0.95 -0.38 -1.59 0.00 0.00 0.00 179.25 178.85 1h38 s LYS 448 N -2.61 2.61 0.61 0.00 -2.85 -1.26 -5.01 119.74 111.24 1h38 s LYS 448 Ca -0.10 -1.67 0.08 0.00 -1.00 0.00 0.00 55.97 53.28 1h38 s LYS 448 Cb 0.06 -3.97 0.11 0.00 -2.06 0.00 0.00 37.83 31.97 1h38 s LYS 448 CO 0.89 -1.16 0.84 0.41 0.10 0.00 0.00 175.35 176.44 1h38 n GLY 449 N 4.98 1.70 3.18 0.59 0.00 -1.26 -4.91 105.19 109.47 1h38 n GLY 449 Ca -0.10 -2.19 -0.11 0.00 0.00 0.00 0.00 46.02 43.63 1h38 n GLY 449 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h38 s LYS 450 N -4.73 0.93 0.13 1.61 1.02 -0.85 -4.86 119.74 112.99 1h38 s LYS 450 Ca 0.62 -1.43 -0.31 0.00 0.02 0.00 0.00 55.97 54.88 1h38 s LYS 450 Cb -0.05 -0.03 -0.10 0.00 -0.52 0.00 0.00 37.83 37.13 1h38 s LYS 450 CO 0.40 -0.15 1.83 -2.14 -0.92 0.00 0.00 175.35 174.37 1h38 s PRO 451 N -3.94 4.13 0.13 -1.68 0.02 -1.26 -1.70 135.00 130.69 1h38 s PRO 451 Ca 0.19 2.60 -0.27 0.00 0.02 0.00 0.00 61.00 63.55 1h38 s PRO 451 Cb 0.07 -3.59 -0.05 0.00 0.02 0.00 0.00 34.50 30.95 1h38 s PRO 451 CO -0.00 -0.84 1.62 0.97 -0.33 0.00 0.00 177.00 178.41 1h38 h ILE 452 N 4.67 0.34 -0.70 2.83 2.10 -0.94 -3.44 117.51 122.37 1h38 h ILE 452 Ca -0.46 0.00 0.08 0.00 1.08 0.00 0.00 64.86 65.56 1h38 h ILE 452 Cb 1.22 0.34 -0.03 0.00 -1.09 0.00 0.00 36.82 37.25 1h38 h ILE 452 CO 0.95 0.00 -0.19 0.61 -1.08 0.00 0.00 178.15 178.44 1h38 n GLY 453 N -1.40 -2.09 0.09 8.18 0.00 0.16 -3.17 105.19 106.97 1h38 n GLY 453 Ca -0.05 -1.42 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 1h38 n GLY 453 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1h38 h LYS 454 N -0.29 0.20 -0.26 1.61 2.10 -1.94 -1.79 116.57 116.20 1h38 h LYS 454 Ca -0.02 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.59 1h38 h LYS 454 Cb 0.28 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.56 1h38 h LYS 454 CO 0.01 0.20 0.08 1.49 -2.00 0.00 0.00 179.45 179.23 1h38 h GLU 455 N 0.14 0.40 -0.75 0.07 4.57 -1.98 -1.93 114.58 115.11 1h38 h GLU 455 Ca 0.05 -0.09 0.07 0.00 -1.18 0.00 0.00 59.36 58.21 1h38 h GLU 455 Cb 0.06 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.53 1h38 h GLU 455 CO -0.01 0.48 0.43 0.78 -1.18 0.00 0.00 179.01 179.51 1h38 h GLY 456 N 0.25 1.12 1.01 1.92 0.00 -1.49 -0.98 103.07 104.90 1h38 h GLY 456 Ca 0.08 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.13 1h38 h GLY 456 CO -0.00 0.16 0.61 -1.82 0.00 0.00 0.00 176.54 175.49 1h38 h TYR 457 N 0.76 1.18 -0.31 5.60 3.20 -1.11 0.23 116.97 126.52 1h38 h TYR 457 Ca 0.34 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.27 1h38 h TYR 457 Cb 0.24 -0.40 -0.04 0.00 1.54 0.00 0.00 36.73 38.08 1h38 h TYR 457 CO -0.07 0.75 0.09 -0.92 -1.64 0.00 0.00 178.16 176.37 1h38 h TYR 458 N 1.26 0.15 -0.31 -3.82 3.20 -0.41 -1.54 116.97 115.51 1h38 h TYR 458 Ca 0.34 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.10 1h38 h TYR 458 Cb -0.13 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 1h38 h TYR 458 CO -0.00 0.06 -0.32 -1.49 -1.64 0.00 0.00 178.16 174.77 1h38 h TRP 459 N 0.21 0.77 -0.96 -3.82 -0.00 -0.56 -2.03 115.95 109.55 1h38 h TRP 459 Ca 0.14 -0.20 0.06 0.00 -0.00 0.00 0.00 58.89 58.89 1h38 h TRP 459 Cb 0.13 -0.18 -0.06 0.00 -0.00 0.00 0.00 29.16 29.05 1h38 h TRP 459 CO -0.15 0.90 0.62 1.25 -0.00 0.00 0.00 178.44 181.05 1h38 h LEU 460 N 0.56 0.99 -0.48 -4.49 5.85 0.08 -1.24 115.31 116.58 1h38 h LEU 460 Ca 0.06 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.64 1h38 h LEU 460 Cb 0.82 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1h38 h LEU 460 CO 0.07 0.63 -0.37 0.11 -0.34 0.00 0.00 178.44 178.54 1h38 h LYS 461 N 1.13 0.85 -0.12 1.25 1.57 -1.06 -2.15 116.57 118.04 1h38 h LYS 461 Ca 0.41 -0.43 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1h38 h LYS 461 Cb 0.15 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 1h38 h LYS 461 CO -0.17 1.07 -0.18 0.82 -0.57 0.00 0.00 179.45 180.43 1h38 h ILE 462 N 0.70 0.54 -0.90 1.86 1.08 -0.54 -0.39 117.51 119.87 1h38 h ILE 462 Ca 0.06 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.67 1h38 h ILE 462 Cb 0.94 0.54 -0.09 0.00 -3.07 0.00 0.00 36.82 35.14 1h38 h ILE 462 CO 0.09 0.00 0.50 -0.74 -0.69 0.00 0.00 178.15 177.31 1h38 h HIS 463 N -0.23 0.90 -0.39 1.37 2.76 -1.20 0.83 115.15 119.18 1h38 h HIS 463 Ca 0.09 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.32 1h38 h HIS 463 Cb 0.37 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.03 1h38 h HIS 463 CO -0.28 0.27 0.20 0.78 -1.30 0.00 0.00 177.93 177.59 1h38 h GLY 464 N 0.74 0.53 0.65 5.26 0.00 -0.51 0.16 103.07 109.89 1h38 h GLY 464 Ca 0.47 -0.14 0.07 0.00 0.00 0.00 0.00 47.33 47.73 1h38 h GLY 464 CO -0.33 0.11 0.40 0.00 0.00 0.00 0.00 176.54 176.72 1h38 h ALA 465 N 1.19 0.96 0.14 3.60 0.00 0.65 -1.56 119.26 124.24 1h38 h ALA 465 Ca 0.16 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1h38 h ALA 465 Cb 0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1h38 h ALA 465 CO -0.10 0.07 -0.08 -0.91 0.00 0.00 0.00 179.25 178.23 1h38 h ASN 466 N 0.72 -0.19 -0.15 0.00 2.35 -0.01 0.11 115.58 118.40 1h38 h ASN 466 Ca 0.32 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 56.12 1h38 h ASN 466 Cb 0.22 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1h38 h ASN 466 CO -0.20 -0.13 0.16 0.00 -1.65 0.00 0.00 177.43 175.61 1h38 n ALA 468 N -2.37 2.91 -0.32 0.00 0.00 -0.63 -1.30 120.51 118.79 1h38 n ALA 468 Ca 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1h38 n ALA 468 Cb 0.27 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1h38 n ALA 468 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h38 n GLY 469 N 1.29 0.71 2.87 0.00 0.00 0.19 -4.16 105.19 106.09 1h38 n GLY 469 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1h38 n GLY 469 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1h38 n VAL 470 N -2.09 4.74 -0.06 1.61 0.31 0.31 -4.52 118.33 118.63 1h38 n VAL 470 Ca 0.00 -4.88 0.00 0.00 -0.01 0.00 0.00 64.34 59.45 1h38 n VAL 470 Cb 0.00 -2.24 0.00 0.00 -0.91 0.00 0.00 33.84 30.69 1h38 n VAL 470 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1h38 n ASP 471 N 2.88 1.46 -1.82 4.52 5.68 -1.26 -4.12 116.55 123.88 1h38 n ASP 471 Ca 0.37 -1.51 -0.20 0.00 -0.50 0.00 0.00 54.79 52.95 1h38 n ASP 471 Cb 0.34 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.42 1h38 n ASP 471 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1h38 n LYS 472 N -0.26 2.73 -3.83 0.11 4.01 -1.26 -4.97 118.16 114.70 1h38 n LYS 472 Ca 0.00 -3.58 -0.12 0.00 -0.51 0.00 0.00 58.31 54.10 1h38 n LYS 472 Cb 0.15 -2.12 -0.09 0.00 -0.51 0.00 0.00 35.03 32.46 1h38 n LYS 472 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1h38 s VAL 473 N -4.17 0.08 0.70 -0.18 0.11 -1.26 -4.69 120.40 110.99 1h38 s VAL 473 Ca 0.53 -0.64 -0.16 0.00 -2.93 0.00 0.00 61.98 58.77 1h38 s VAL 473 Cb 0.44 -0.57 -0.00 0.00 -1.53 0.00 0.00 36.38 34.72 1h38 s VAL 473 CO 0.01 -0.35 1.00 -0.81 -3.33 0.00 0.00 175.10 171.62 1h38 n PRO 474 N 1.27 0.60 -0.28 1.54 -0.04 -1.26 -4.70 135.00 132.13 1h38 n PRO 474 Ca -0.22 0.26 0.09 0.00 -0.04 0.00 0.00 63.50 63.59 1h38 n PRO 474 Cb 0.56 -2.25 0.23 0.00 -0.04 0.00 0.00 33.50 32.01 1h38 n PRO 474 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1h38 h PHE 475 N -0.11 0.38 -1.01 0.54 0.04 -1.98 -0.32 116.94 114.48 1h38 h PHE 475 Ca -0.48 0.04 0.14 0.00 2.80 0.00 0.00 57.97 60.48 1h38 h PHE 475 Cb 1.34 -0.04 -0.09 0.00 2.20 0.00 0.00 35.95 39.35 1h38 h PHE 475 CO 0.40 -0.10 0.63 -1.00 -0.60 0.00 0.00 178.31 177.63 1h38 h PRO 476 N 0.29 0.90 0.00 1.51 0.13 -2.00 0.17 132.00 133.00 1h38 h PRO 476 Ca 0.48 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.50 1h38 h PRO 476 Cb 0.88 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 1h38 h PRO 476 CO -0.55 0.59 -0.25 0.93 -0.23 0.00 0.00 178.00 178.49 1h38 h GLU 477 N 0.92 0.00 -0.16 0.86 5.08 -1.39 -0.14 114.58 119.74 1h38 h GLU 477 Ca 0.53 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.67 1h38 h GLU 477 Cb 0.63 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.89 1h38 h GLU 477 CO -0.31 0.25 -0.76 0.00 -1.00 0.00 0.00 179.01 177.20 1h38 h ARG 478 N 0.00 0.80 -0.39 2.33 3.08 -0.44 -1.41 114.38 118.36 1h38 h ARG 478 Ca -0.00 -0.64 -0.16 0.00 0.07 0.00 0.00 59.98 59.24 1h38 h ARG 478 Cb 0.84 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 1h38 h ARG 478 CO 0.03 1.25 -0.38 0.82 -1.07 0.00 0.00 179.97 180.62 1h38 h ILE 479 N 0.54 1.27 -0.09 2.04 1.08 -0.73 -2.63 117.51 119.00 1h38 h ILE 479 Ca -0.05 -1.56 0.04 0.00 -0.39 0.00 0.00 64.86 62.91 1h38 h ILE 479 Cb 1.39 1.37 -0.06 0.00 -3.07 0.00 0.00 36.82 36.45 1h38 h ILE 479 CO 0.16 0.52 -0.32 0.50 -0.69 0.00 0.00 178.15 178.32 1h38 h LYS 480 N 0.77 -0.41 -0.54 2.37 1.63 -0.98 -0.18 116.57 119.24 1h38 h LYS 480 Ca 0.06 0.03 0.11 0.00 -0.85 0.00 0.00 60.65 60.00 1h38 h LYS 480 Cb 0.98 0.09 -0.10 0.00 -0.60 0.00 0.00 32.23 32.60 1h38 h LYS 480 CO 0.10 -0.27 -0.10 0.35 -3.45 0.00 0.00 179.45 176.08 1h38 h PHE 481 N -0.42 -0.22 -0.39 1.91 3.57 -1.16 0.21 116.94 120.43 1h38 h PHE 481 Ca 0.08 0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.52 1h38 h PHE 481 Cb 0.55 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1h38 h PHE 481 CO -0.39 -0.21 -0.22 0.82 -2.23 0.00 0.00 178.31 176.09 1h38 h ILE 482 N 0.03 1.27 -0.40 1.41 1.08 -1.05 -2.60 117.51 117.24 1h38 h ILE 482 Ca 0.26 -1.33 -0.04 0.00 -0.39 0.00 0.00 64.86 63.36 1h38 h ILE 482 Cb 0.41 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.34 1h38 h ILE 482 CO -0.53 0.44 0.08 -0.33 -0.69 0.00 0.00 178.15 177.13 1h38 h GLU 483 N 0.68 0.66 0.00 2.37 5.08 0.24 -1.97 114.58 121.65 1h38 h GLU 483 Ca 0.09 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1h38 h GLU 483 Cb 0.73 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1h38 h GLU 483 CO 0.06 0.70 -0.05 0.93 -1.00 0.00 0.00 179.01 179.65 1h38 h GLU 484 N 0.52 0.00 -0.37 2.33 5.08 -0.51 -1.69 114.58 119.93 1h38 h GLU 484 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1h38 h GLU 484 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1h38 h GLU 484 CO 0.01 0.05 0.00 0.09 -1.00 0.00 0.00 179.01 178.15 1h38 n ASN 485 N -3.63 4.14 -0.33 1.42 4.13 -0.90 -4.66 115.26 115.42 1h38 n ASN 485 Ca -0.02 -2.77 0.24 0.00 1.68 0.00 0.00 54.58 53.71 1h38 n ASN 485 Cb 0.15 -0.52 0.48 0.00 -1.54 0.00 0.00 39.78 38.34 1h38 n ASN 485 CO 0.00 0.00 0.00 -0.74 0.28 0.00 0.00 177.26 176.80 1h38 h HIS 486 N 2.47 0.88 -0.15 3.10 -0.00 -0.57 0.19 115.15 121.07 1h38 h HIS 486 Ca 0.00 0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 60.38 1h38 h HIS 486 Cb 1.42 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 28.60 1h38 h HIS 486 CO 0.58 -0.21 -0.03 0.93 -0.00 0.00 0.00 177.93 179.20 1h38 h GLU 487 N 0.28 0.29 -0.73 5.26 4.39 -1.84 -1.99 114.58 120.24 1h38 h GLU 487 Ca 0.74 -0.11 0.07 0.00 0.34 0.00 0.00 59.36 60.39 1h38 h GLU 487 Cb 1.70 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 30.27 1h38 h GLU 487 CO -0.63 0.56 0.42 -0.91 -1.16 0.00 0.00 179.01 177.29 1h38 h ASN 488 N -0.00 0.63 0.35 1.42 2.35 -1.03 -0.91 115.58 118.38 1h38 h ASN 488 Ca 0.04 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1h38 h ASN 488 Cb 0.45 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1h38 h ASN 488 CO 0.01 0.40 -0.17 0.40 -1.65 0.00 0.00 177.43 176.42 1h38 h ILE 489 N 0.76 0.67 -0.80 2.81 2.04 -1.07 -1.53 117.51 120.39 1h38 h ILE 489 Ca 0.33 -0.31 0.15 0.00 1.00 0.00 0.00 64.86 66.03 1h38 h ILE 489 Cb 0.21 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 1h38 h ILE 489 CO -0.19 0.06 0.53 0.24 0.00 0.00 0.00 178.15 178.79 1h38 h MET 490 N -0.63 0.48 0.49 2.37 2.86 -1.12 0.26 114.93 119.64 1h38 h MET 490 Ca -0.05 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 1h38 h MET 490 Cb 0.46 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1h38 h MET 490 CO 0.08 0.32 -0.23 0.00 1.06 0.00 0.00 176.91 178.13 1h38 h ALA 491 N 1.63 -0.65 -0.48 6.32 0.00 -0.86 0.99 119.26 126.20 1h38 h ALA 491 Ca 0.40 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1h38 h ALA 491 Cb 0.82 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1h38 h ALA 491 CO -0.15 -0.84 0.32 0.00 0.00 0.00 0.00 179.25 178.59 1h38 h ALA 493 N 1.74 0.10 -0.05 0.00 0.00 -0.76 -2.18 119.26 118.10 1h38 h ALA 493 Ca 0.21 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1h38 h ALA 493 Cb 0.27 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1h38 h ALA 493 CO -0.05 0.14 0.02 -0.22 0.00 0.00 0.00 179.25 179.14 1h38 h LYS 494 N -0.26 0.08 -2.35 0.00 3.64 -0.25 -3.39 116.57 114.04 1h38 h LYS 494 Ca -0.02 -0.02 -0.59 0.00 -1.27 0.00 0.00 60.65 58.75 1h38 h LYS 494 Cb 0.96 -0.01 -0.38 0.00 -0.41 0.00 0.00 32.23 32.39 1h38 h LYS 494 CO 0.06 0.25 -0.98 0.43 -2.27 0.00 0.00 179.45 176.95 1h38 n SER 495 N -4.94 -0.29 -0.16 4.20 7.64 0.09 -5.00 113.62 115.14 1h38 n SER 495 Ca -0.07 -2.43 0.05 0.00 1.01 0.00 0.00 58.87 57.43 1h38 n SER 495 Cb 0.13 -0.57 0.35 0.00 -1.01 0.00 0.00 64.21 63.11 1h38 n SER 495 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1h38 h PRO 496 N 5.46 0.74 0.00 1.43 0.13 -1.57 -0.86 132.00 137.33 1h38 h PRO 496 Ca 0.25 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1h38 h PRO 496 Cb 0.90 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1h38 h PRO 496 CO 0.39 0.49 0.00 1.28 -0.23 0.00 0.00 178.00 179.94 1h38 n LEU 497 N -4.47 0.19 -0.00 1.56 4.77 -1.26 -3.04 117.00 114.75 1h38 n LEU 497 Ca 0.09 0.53 0.07 0.00 -0.03 0.00 0.00 56.01 56.68 1h38 n LEU 497 Cb 0.18 -0.49 -0.09 0.00 -2.33 0.00 0.00 43.42 40.68 1h38 n LEU 497 CO 0.34 -0.22 -0.22 -0.62 -1.33 0.00 0.00 177.39 175.35 1h38 n GLU 498 N -1.69 1.62 -3.97 3.23 1.02 -0.40 -4.86 120.64 115.58 1h38 n GLU 498 Ca 0.04 -0.04 -0.30 0.00 -0.02 0.00 0.00 57.16 56.85 1h38 n GLU 498 Cb 0.25 -1.25 -0.16 0.00 -0.02 0.00 0.00 31.44 30.26 1h38 n GLU 498 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1h38 s ASN 499 N -2.79 3.33 0.00 1.62 3.84 -0.76 -4.99 114.94 115.18 1h38 s ASN 499 Ca 0.03 -0.87 0.28 0.00 0.21 0.00 0.00 52.86 52.50 1h38 s ASN 499 Cb 0.11 -1.17 0.98 0.00 -0.55 0.00 0.00 41.25 40.62 1h38 s ASN 499 CO 0.62 -0.16 1.70 0.35 -2.79 0.00 0.00 177.10 176.83 1h38 n THR 500 N 4.72 0.00 -0.35 -5.21 -2.24 -1.26 -4.32 114.28 105.62 1h38 n THR 500 Ca -0.14 -0.10 0.17 0.00 -2.27 0.00 0.00 64.05 61.72 1h38 n THR 500 Cb 0.47 0.17 0.39 0.00 -2.10 0.00 0.00 70.33 69.25 1h38 n THR 500 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1h38 h TRP 501 N 0.93 1.00 -0.53 4.78 7.01 -1.94 -0.02 115.95 127.18 1h38 h TRP 501 Ca 0.00 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.95 1h38 h TRP 501 Cb 0.44 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.19 1h38 h TRP 501 CO 0.00 0.09 -0.02 0.11 -2.79 0.00 0.00 178.44 175.83 1h38 h TRP 502 N 0.59 1.00 0.00 2.65 5.08 -1.94 -2.17 115.95 121.16 1h38 h TRP 502 Ca 0.63 -0.16 0.00 0.00 1.08 0.00 0.00 58.89 60.44 1h38 h TRP 502 Cb 1.20 -0.26 0.00 0.00 -3.00 0.00 0.00 29.16 27.10 1h38 h TRP 502 CO -0.01 0.91 0.00 0.00 -1.28 0.00 0.00 178.44 178.06 1h38 n ALA 503 N -2.48 1.50 0.38 0.11 0.00 -0.04 -1.95 120.51 118.03 1h38 n ALA 503 Ca 0.03 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.54 1h38 n ALA 503 Cb 0.33 -1.17 0.26 0.00 0.00 0.00 0.00 19.45 18.88 1h38 n ALA 503 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1h38 n GLU 504 N -1.47 2.34 -3.12 0.00 1.02 -0.81 -4.78 120.64 113.82 1h38 n GLU 504 Ca 0.03 -2.05 -0.28 0.00 -0.02 0.00 0.00 57.16 54.85 1h38 n GLU 504 Cb 0.12 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 1h38 n GLU 504 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1h38 s GLN 505 N -1.43 3.61 0.34 3.49 -1.52 -0.82 -4.97 119.66 118.35 1h38 s GLN 505 Ca 0.38 0.06 0.13 0.00 -1.95 0.00 0.00 55.36 53.98 1h38 s GLN 505 Cb 0.21 -2.55 1.07 0.00 -0.22 0.00 0.00 33.01 31.52 1h38 s GLN 505 CO 0.29 0.07 1.64 -0.44 -0.25 0.00 0.00 175.29 176.60 1h38 h ASP 506 N 1.13 0.34 -2.15 5.90 3.45 -1.72 -2.57 116.42 120.81 1h38 h ASP 506 Ca -0.48 0.21 -0.58 0.00 0.43 0.00 0.00 57.03 56.61 1h38 h ASP 506 Cb 1.20 0.20 -0.41 0.00 -0.56 0.00 0.00 39.33 39.76 1h38 h ASP 506 CO 0.64 -0.21 -0.76 -1.20 -1.57 0.00 0.00 179.24 176.13 1h38 n SER 507 N -5.14 2.87 0.00 6.45 7.64 -0.42 -5.02 113.62 120.00 1h38 n SER 507 Ca 0.31 -3.29 0.00 0.00 1.01 0.00 0.00 58.87 56.90 1h38 n SER 507 Cb 0.99 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1h38 n SER 507 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1h38 n PRO 508 N 0.71 0.00 0.11 1.43 -0.04 -0.97 -0.23 135.00 136.02 1h38 n PRO 508 Ca 0.28 0.56 -0.01 0.00 -0.04 0.00 0.00 63.50 64.29 1h38 n PRO 508 Cb 0.45 -0.87 0.26 0.00 -0.04 0.00 0.00 33.50 33.30 1h38 n PRO 508 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1h38 h PHE 509 N 0.00 0.21 -0.13 0.54 0.04 -1.87 0.30 116.94 116.03 1h38 h PHE 509 Ca 0.00 -0.05 -0.11 0.00 2.80 0.00 0.00 57.97 60.60 1h38 h PHE 509 Cb 0.00 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 1h38 h PHE 509 CO -0.47 0.56 -0.41 0.00 -0.60 0.00 0.00 178.31 177.39 1h38 h PHE 511 N 0.25 0.58 -0.91 0.00 3.57 0.45 -1.16 116.94 119.72 1h38 h PHE 511 Ca 0.02 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.43 1h38 h PHE 511 Cb 0.84 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.38 1h38 h PHE 511 CO 0.02 0.67 0.60 1.25 -2.23 0.00 0.00 178.31 178.62 1h38 h LEU 512 N 0.32 1.04 -0.84 0.59 5.85 -0.59 0.24 115.31 121.92 1h38 h LEU 512 Ca 0.08 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1h38 h LEU 512 Cb 0.45 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 1h38 h LEU 512 CO 0.02 0.76 0.52 0.00 -0.34 0.00 0.00 178.44 179.39 1h38 h ALA 513 N 1.43 1.13 -0.11 1.25 0.00 -0.48 -1.41 119.26 121.08 1h38 h ALA 513 Ca 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1h38 h ALA 513 Cb -0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 1h38 h ALA 513 CO -0.07 0.28 0.03 0.35 0.00 0.00 0.00 179.25 179.84 1h38 h PHE 514 N 0.97 0.18 -0.61 0.00 3.04 0.23 -2.75 116.94 118.00 1h38 h PHE 514 Ca 0.36 -0.02 0.11 0.00 3.98 0.00 0.00 57.97 62.40 1h38 h PHE 514 Cb 0.13 -0.05 -0.12 0.00 2.56 0.00 0.00 35.95 38.47 1h38 h PHE 514 CO -0.03 0.34 -0.27 0.00 -2.02 0.00 0.00 178.31 176.32 1h38 h PHE 516 N -0.11 -1.01 -0.84 0.00 -1.00 -1.14 0.54 116.94 113.38 1h38 h PHE 516 Ca 0.26 0.03 0.08 0.00 2.81 0.00 0.00 57.97 61.15 1h38 h PHE 516 Cb 0.53 0.44 -0.07 0.00 3.61 0.00 0.00 35.95 40.46 1h38 h PHE 516 CO -0.60 -0.46 0.50 0.93 -1.61 0.00 0.00 178.31 177.08 1h38 h GLU 517 N -0.54 0.86 -0.19 1.51 4.39 -0.97 -0.61 114.58 119.02 1h38 h GLU 517 Ca 0.05 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.72 1h38 h GLU 517 Cb 0.61 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 1h38 h GLU 517 CO -0.26 0.57 0.03 -0.92 -1.16 0.00 0.00 179.01 177.26 1h38 h TYR 518 N 0.88 0.05 -0.77 4.33 5.03 0.56 -1.97 116.97 125.07 1h38 h TYR 518 Ca 0.39 0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.75 1h38 h TYR 518 Cb 0.27 0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.52 1h38 h TYR 518 CO -0.04 0.01 0.51 0.00 -1.32 0.00 0.00 178.16 177.31 1h38 h ALA 519 N 1.15 1.56 -0.73 1.82 0.00 -0.07 -2.26 119.26 120.72 1h38 h ALA 519 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1h38 h ALA 519 Cb 0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1h38 h ALA 519 CO -0.13 0.36 0.42 0.78 0.00 0.00 0.00 179.25 180.68 1h38 h GLY 520 N 0.93 1.08 1.00 0.00 0.00 -0.40 -2.37 103.07 103.31 1h38 h GLY 520 Ca 0.31 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1h38 h GLY 520 CO -0.09 0.46 0.27 -2.08 0.00 0.00 0.00 176.54 175.09 1h38 h VAL 521 N 1.00 1.11 -0.59 4.60 2.07 -0.95 0.17 116.25 123.65 1h38 h VAL 521 Ca 0.26 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 67.67 1h38 h VAL 521 Cb 0.01 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.22 1h38 h VAL 521 CO -0.04 0.10 0.22 1.56 0.02 0.00 0.00 177.57 179.43 1h38 h GLN 522 N 0.55 0.39 0.13 1.57 1.08 -1.13 1.22 115.11 118.92 1h38 h GLN 522 Ca 0.15 -0.02 -0.28 0.00 -1.45 0.00 0.00 58.65 57.04 1h38 h GLN 522 Cb -0.06 -0.09 0.01 0.00 -0.05 0.00 0.00 27.48 27.29 1h38 h GLN 522 CO -0.03 0.26 -1.23 0.45 -0.95 0.00 0.00 178.83 177.33 1h38 h HIS 523 N 0.40 0.68 0.00 2.96 3.86 -1.10 -3.37 115.15 118.58 1h38 h HIS 523 Ca 0.29 -0.46 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1h38 h HIS 523 Cb 0.35 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1h38 h HIS 523 CO -0.16 1.34 -1.39 0.72 0.86 0.00 0.00 177.93 179.30 1h38 n HIS 524 N -3.64 0.00 0.00 2.45 8.25 0.55 -5.11 115.22 117.72 1h38 n HIS 524 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1h38 n HIS 524 Cb 1.00 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.88 1h38 n HIS 524 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1h38 n GLY 525 N 1.45 -0.32 0.00 -1.41 0.00 0.42 -4.38 105.19 100.96 1h38 n GLY 525 Ca -0.00 -1.81 0.01 0.00 0.00 0.00 0.00 46.02 44.21 1h38 n GLY 525 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h38 n LEU 526 N -0.74 0.00 0.03 0.99 4.77 -1.26 -1.31 117.00 119.48 1h38 n LEU 526 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1h38 n LEU 526 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1h38 n LEU 526 CO 0.00 0.00 -0.01 -1.54 -1.33 0.00 0.00 177.39 174.51 1h38 n SER 527 N -0.79 0.61 -4.61 -1.43 3.41 -1.26 -0.66 113.62 108.88 1h38 n SER 527 Ca 0.02 -0.15 -0.58 0.00 -0.26 0.00 0.00 58.87 57.89 1h38 n SER 527 Cb 0.01 0.79 -0.08 0.00 -0.26 0.00 0.00 64.21 64.67 1h38 n SER 527 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h38 n TYR 528 N -2.02 1.37 -2.45 7.33 9.36 -0.43 -4.27 117.16 126.05 1h38 n TYR 528 Ca 0.02 0.85 -0.42 0.00 3.32 0.00 0.00 57.90 61.66 1h38 n TYR 528 Cb 0.45 -2.26 -0.02 0.00 -0.63 0.00 0.00 39.34 36.88 1h38 n TYR 528 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1h38 s ASN 529 N 1.32 6.28 -0.01 2.98 2.47 -1.26 -0.58 114.94 126.13 1h38 s ASN 529 Ca 0.93 0.34 0.03 0.00 0.42 0.00 0.00 52.86 54.58 1h38 s ASN 529 Cb -1.17 -2.55 -0.03 0.00 -1.45 0.00 0.00 41.25 36.05 1h38 s ASN 529 CO 0.60 -1.58 -0.09 0.00 -3.72 0.00 0.00 177.10 172.31 1h38 n SER 531 N 1.77 0.61 -4.75 0.00 3.41 -1.26 -2.00 113.62 111.40 1h38 n SER 531 Ca -0.16 -1.47 -0.41 0.00 -0.26 0.00 0.00 58.87 56.56 1h38 n SER 531 Cb 0.52 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.40 1h38 n SER 531 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1h38 s LEU 532 N -0.39 4.39 -0.47 1.04 0.20 -1.26 -2.70 118.68 119.49 1h38 s LEU 532 Ca 0.02 2.63 -0.29 0.00 0.69 0.00 0.00 54.13 57.18 1h38 s LEU 532 Cb 0.01 -3.62 0.02 0.00 -0.43 0.00 0.00 46.19 42.17 1h38 s LEU 532 CO 0.00 -0.66 1.27 -2.16 -0.29 0.00 0.00 176.35 174.51 1h38 s PRO 533 N -0.50 3.61 -0.22 0.98 0.04 -1.26 -3.96 135.00 133.68 1h38 s PRO 533 Ca 0.58 0.65 -0.24 0.00 0.04 0.00 0.00 61.00 62.03 1h38 s PRO 533 Cb -0.41 -3.98 -0.01 0.00 0.04 0.00 0.00 34.50 30.14 1h38 s PRO 533 CO 0.44 -1.53 0.77 -0.51 0.04 0.00 0.00 177.00 176.21 1h38 s LEU 534 N 5.00 4.10 -0.12 -3.56 1.43 -0.16 -4.79 118.68 120.58 1h38 s LEU 534 Ca 0.53 0.98 -0.06 0.00 -1.03 0.00 0.00 54.13 54.54 1h38 s LEU 534 Cb -0.10 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 1h38 s LEU 534 CO 0.31 -0.44 0.12 0.00 0.23 0.00 0.00 176.35 176.57 1h38 s ALA 535 N 2.53 3.78 -0.29 4.21 0.00 -1.26 -2.72 121.76 128.02 1h38 s ALA 535 Ca 0.33 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 1h38 s ALA 535 Cb -0.16 -1.91 0.04 0.00 0.00 0.00 0.00 23.12 21.10 1h38 s ALA 535 CO 0.09 0.60 -0.01 -0.06 0.00 0.00 0.00 175.76 176.37 1h38 s PHE 536 N -0.95 3.21 -0.09 0.00 0.08 0.11 -4.95 117.98 115.40 1h38 s PHE 536 Ca 0.14 -1.75 -0.09 0.00 0.12 0.00 0.00 56.93 55.35 1h38 s PHE 536 Cb -0.12 -2.10 -0.04 0.00 -0.57 0.00 0.00 43.02 40.18 1h38 s PHE 536 CO 0.04 -0.78 0.21 -0.51 -0.10 0.00 0.00 175.22 174.08 1h38 s ASP 537 N 1.28 6.50 0.16 1.36 1.01 -1.26 -1.80 116.67 123.93 1h38 s ASP 537 Ca -0.04 0.60 -0.30 0.00 0.71 0.00 0.00 52.55 53.53 1h38 s ASP 537 Cb -0.19 -2.12 -0.07 0.00 1.01 0.00 0.00 42.92 41.55 1h38 s ASP 537 CO -0.02 0.38 0.94 -0.83 0.21 0.00 0.00 175.17 175.86 1h38 s GLY 538 N -1.02 3.05 0.00 0.21 0.00 -0.43 -3.88 107.32 105.24 1h38 s GLY 538 Ca 0.17 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.48 1h38 s GLY 538 CO 0.06 1.32 0.00 1.44 0.00 0.00 0.00 173.10 175.93 1h38 n SER 539 N 2.21 0.00 -3.97 1.64 7.64 -1.26 -4.17 113.62 115.70 1h38 n SER 539 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 1h38 n SER 539 Cb 0.48 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.62 1h38 n SER 539 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h38 n SER 541 N 1.95 -0.09 0.09 0.00 3.41 -1.26 0.23 113.62 117.95 1h38 n SER 541 Ca 0.23 1.48 -0.07 0.00 -0.26 0.00 0.00 58.87 60.25 1h38 n SER 541 Cb 0.37 -0.54 -0.04 0.00 -0.26 0.00 0.00 64.21 63.73 1h38 n SER 541 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1h38 h GLY 542 N 0.00 -1.05 0.93 5.00 0.00 -1.94 -0.71 103.07 105.29 1h38 h GLY 542 Ca 0.53 0.49 0.12 0.00 0.00 0.00 0.00 47.33 48.47 1h38 h GLY 542 CO -0.82 -0.34 0.42 -2.22 0.00 0.00 0.00 176.54 173.58 1h38 h ILE 543 N -0.38 0.83 0.38 2.60 2.04 -1.04 -1.80 117.51 120.14 1h38 h ILE 543 Ca -0.02 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1h38 h ILE 543 Cb 0.35 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1h38 h ILE 543 CO -0.07 0.06 -0.18 1.56 0.00 0.00 0.00 178.15 179.52 1h38 h GLN 544 N 0.32 -0.49 -0.55 2.37 4.20 0.23 -1.09 115.11 120.10 1h38 h GLN 544 Ca 0.30 0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.01 1h38 h GLN 544 Cb 0.72 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 1h38 h GLN 544 CO -0.07 -0.25 0.22 0.45 -0.67 0.00 0.00 178.83 178.51 1h38 h HIS 545 N -0.65 0.83 -0.71 2.96 3.86 -0.56 0.37 115.15 121.26 1h38 h HIS 545 Ca -0.05 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1h38 h HIS 545 Cb 0.47 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.65 1h38 h HIS 545 CO -0.02 0.68 0.45 0.74 0.86 0.00 0.00 177.93 180.64 1h38 h PHE 546 N 0.75 0.91 0.00 2.45 0.04 -1.34 -0.32 116.94 119.43 1h38 h PHE 546 Ca 0.18 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.89 1h38 h PHE 546 Cb 0.19 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 1h38 h PHE 546 CO 0.01 0.59 -0.36 0.77 -0.60 0.00 0.00 178.31 178.72 1h38 h SER 547 N 0.97 0.00 0.01 2.17 0.02 -0.50 -2.91 113.55 113.32 1h38 h SER 547 Ca 0.26 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.17 1h38 h SER 547 Cb -0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1h38 h SER 547 CO -0.05 0.36 -0.17 0.00 -1.14 0.00 0.00 176.83 175.83 1h38 h ALA 548 N 1.64 0.00 0.00 3.77 0.00 0.04 0.02 119.26 124.72 1h38 h ALA 548 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1h38 h ALA 548 Cb 0.89 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1h38 h ALA 548 CO 0.05 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1h38 n MET 549 N -4.55 0.04 -0.28 0.00 3.85 -0.22 -1.86 117.12 114.10 1h38 n MET 549 Ca -0.10 0.40 0.07 0.00 -1.00 0.00 0.00 57.70 57.07 1h38 n MET 549 Cb 0.50 -1.60 0.11 0.00 -1.05 0.00 0.00 33.22 31.18 1h38 n MET 549 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1h38 n LEU 550 N -1.68 1.80 -4.48 3.17 4.77 -1.10 -4.93 117.00 114.55 1h38 n LEU 550 Ca 0.02 -2.66 -0.39 0.00 -0.03 0.00 0.00 56.01 52.94 1h38 n LEU 550 Cb 0.10 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 40.78 1h38 n LEU 550 CO 0.09 0.67 -0.25 0.54 -1.33 0.00 0.00 177.39 177.12 1h38 n ARG 551 N -1.00 -0.82 -2.65 3.23 5.12 -0.78 -0.75 116.66 119.01 1h38 n ARG 551 Ca 0.12 0.13 -0.43 0.00 -1.93 0.00 0.00 57.85 55.74 1h38 n ARG 551 Cb 0.68 -4.41 -0.02 0.00 -1.16 0.00 0.00 32.46 27.55 1h38 n ARG 551 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1h38 s ASP 552 N -3.57 7.06 -0.14 0.55 -1.08 -0.04 -1.02 116.67 118.42 1h38 s ASP 552 Ca 0.60 1.30 -0.29 0.00 -0.52 0.00 0.00 52.55 53.64 1h38 s ASP 552 Cb -0.35 -2.54 -0.26 0.00 -1.46 0.00 0.00 42.92 38.31 1h38 s ASP 552 CO 1.02 -0.72 0.76 1.05 0.52 0.00 0.00 175.17 177.79 1h38 h GLU 553 N 7.62 0.01 0.32 4.34 9.09 -1.89 -1.62 114.58 132.45 1h38 h GLU 553 Ca -0.19 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.20 1h38 h GLU 553 Cb 1.06 0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 28.13 1h38 h GLU 553 CO 0.99 1.01 -0.47 0.28 0.05 0.00 0.00 179.01 180.87 1h38 h VAL 554 N -0.98 0.07 -0.64 -1.06 2.07 -1.92 0.57 116.25 114.36 1h38 h VAL 554 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1h38 h VAL 554 Cb 1.03 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1h38 h VAL 554 CO -0.00 0.00 0.27 1.23 0.02 0.00 0.00 177.57 179.09 1h38 h GLY 555 N -0.85 1.02 0.80 2.17 0.00 -1.61 -1.46 103.07 103.15 1h38 h GLY 555 Ca -0.03 -0.55 0.05 0.00 0.00 0.00 0.00 47.33 46.80 1h38 h GLY 555 CO -0.15 0.52 0.57 -1.33 0.00 0.00 0.00 176.54 176.15 1h38 h GLY 556 N 0.90 1.33 1.17 4.60 0.00 -0.91 -1.07 103.07 109.09 1h38 h GLY 556 Ca 0.22 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 1h38 h GLY 556 CO -0.02 0.33 0.25 -0.09 0.00 0.00 0.00 176.54 177.02 1h38 h ARG 557 N 1.08 1.06 0.00 4.80 2.43 0.55 0.04 114.38 124.34 1h38 h ARG 557 Ca 0.37 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1h38 h ARG 557 Cb 0.08 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1h38 h ARG 557 CO -0.14 0.88 -0.07 0.00 -1.51 0.00 0.00 179.97 179.13 1h38 h ALA 558 N 1.25 1.87 -0.58 2.80 0.00 -0.15 -2.34 119.26 122.12 1h38 h ALA 558 Ca 0.23 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.86 1h38 h ALA 558 Cb 0.24 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.88 1h38 h ALA 558 CO -0.02 0.08 0.18 1.33 0.00 0.00 0.00 179.25 180.83 1h38 n VAL 559 N -4.43 2.75 -3.14 0.00 0.24 -0.85 -3.53 118.33 109.37 1h38 n VAL 559 Ca -0.03 -2.08 -0.23 0.00 -2.04 0.00 0.00 64.34 59.96 1h38 n VAL 559 Cb 0.15 -0.35 0.04 0.00 -1.47 0.00 0.00 33.84 32.21 1h38 n VAL 559 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1h38 n ASN 560 N -0.70 -5.88 0.08 -1.34 3.02 -0.88 -4.65 115.26 104.91 1h38 n ASN 560 Ca 0.38 -0.33 -0.17 0.00 -0.03 0.00 0.00 54.58 54.42 1h38 n ASN 560 Cb 1.24 -4.74 -0.10 0.00 -0.61 0.00 0.00 39.78 35.57 1h38 n ASN 560 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1h38 h LEU 561 N -1.50 0.65 -9.85 3.41 5.85 -1.21 -3.25 115.31 109.42 1h38 h LEU 561 Ca -0.53 -0.59 -0.62 0.00 0.84 0.00 0.00 57.88 56.99 1h38 h LEU 561 Cb 1.36 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 1h38 h LEU 561 CO 0.57 1.41 -0.42 -0.76 -0.34 0.00 0.00 178.44 178.89 1h38 s LEU 562 N -7.66 4.35 0.16 2.25 1.43 -1.26 -3.69 118.68 114.26 1h38 s LEU 562 Ca -0.07 0.44 -0.32 0.00 -1.03 0.00 0.00 54.13 53.16 1h38 s LEU 562 Cb 0.07 -2.85 -0.10 0.00 0.03 0.00 0.00 46.19 43.34 1h38 s LEU 562 CO 0.90 0.20 1.56 -2.16 0.23 0.00 0.00 176.35 177.08 1h38 s PRO 563 N -2.15 4.22 0.11 1.29 0.04 -1.26 -4.83 135.00 132.41 1h38 s PRO 563 Ca 0.32 2.35 -0.01 0.00 0.04 0.00 0.00 61.00 63.70 1h38 s PRO 563 Cb -0.13 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1h38 s PRO 563 CO 0.21 -0.60 0.02 -1.12 0.04 0.00 0.00 177.00 175.55 1h38 s SER 564 N 1.18 0.49 0.06 6.66 0.01 -1.26 -5.02 113.70 115.81 1h38 s SER 564 Ca 0.70 -1.13 0.12 0.00 1.31 0.00 0.00 55.95 56.94 1h38 s SER 564 Cb -0.43 0.24 -0.18 0.00 0.21 0.00 0.00 66.02 65.86 1h38 s SER 564 CO 0.31 -0.66 0.97 -0.08 0.41 0.00 0.00 173.24 174.19 1h38 h GLU 565 N 2.94 0.00 -6.35 12.44 4.81 -2.01 -3.46 114.58 122.95 1h38 h GLU 565 Ca -0.35 0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 58.24 1h38 h GLU 565 Cb 1.18 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.44 1h38 h GLU 565 CO 0.62 0.62 -0.66 0.95 -0.73 0.00 0.00 179.01 179.80 1h38 s THR 566 N -2.73 3.95 0.11 0.32 -4.23 -1.26 -4.65 115.64 107.15 1h38 s THR 566 Ca -0.02 -1.08 -0.31 0.00 -1.18 0.00 0.00 61.69 59.10 1h38 s THR 566 Cb 0.09 -2.91 -0.08 0.00 1.34 0.00 0.00 72.50 70.95 1h38 s THR 566 CO 0.81 0.07 1.36 -0.69 -0.54 0.00 0.00 174.62 175.63 1h38 s VAL 567 N -1.39 3.42 -0.02 2.29 1.01 -1.26 -4.99 120.40 119.45 1h38 s VAL 567 Ca 0.26 1.02 -0.22 0.00 0.00 0.00 0.00 61.98 63.04 1h38 s VAL 567 Cb -0.11 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1h38 s VAL 567 CO 0.18 0.08 0.64 -1.10 0.00 0.00 0.00 175.10 174.91 1h38 s GLN 568 N 1.06 4.38 -0.52 2.72 -1.52 -1.26 -4.95 119.66 119.57 1h38 s GLN 568 Ca 0.63 0.81 -0.01 0.00 -1.95 0.00 0.00 55.36 54.84 1h38 s GLN 568 Cb -0.36 -3.38 0.14 0.00 -0.22 0.00 0.00 33.01 29.19 1h38 s GLN 568 CO 0.30 0.25 0.31 0.34 -0.25 0.00 0.00 175.29 176.24 1h38 s ASP 569 N 0.18 5.07 0.40 5.90 2.15 -1.26 -4.70 116.67 124.41 1h38 s ASP 569 Ca 0.34 -2.57 0.17 0.00 0.43 0.00 0.00 52.55 50.91 1h38 s ASP 569 Cb -0.18 -1.80 1.05 0.00 -0.30 0.00 0.00 42.92 41.69 1h38 s ASP 569 CO 0.18 -0.40 1.82 -0.29 -0.17 0.00 0.00 175.17 176.31 1h38 h ILE 570 N 5.75 0.64 -0.69 4.11 2.10 -1.95 0.24 117.51 127.69 1h38 h ILE 570 Ca -0.06 -0.15 -0.05 0.00 1.08 0.00 0.00 64.86 65.68 1h38 h ILE 570 Cb 0.98 0.16 -0.03 0.00 -1.09 0.00 0.00 36.82 36.83 1h38 h ILE 570 CO 0.69 0.08 0.25 1.88 -1.08 0.00 0.00 178.15 179.97 1h38 h TYR 571 N 0.44 1.08 -0.37 2.19 0.05 -1.92 -1.61 116.97 116.83 1h38 h TYR 571 Ca 0.52 -0.09 -0.17 0.00 0.05 0.00 0.00 58.73 59.04 1h38 h TYR 571 Cb 1.25 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 38.66 1h38 h TYR 571 CO -0.00 0.85 -0.42 0.78 -1.05 0.00 0.00 178.16 178.32 1h38 h GLY 572 N 0.99 1.01 1.31 3.88 0.00 -0.95 -1.16 103.07 108.15 1h38 h GLY 572 Ca 0.23 -1.07 -0.08 0.00 0.00 0.00 0.00 47.33 46.40 1h38 h GLY 572 CO -0.01 0.96 -0.04 1.19 0.00 0.00 0.00 176.54 178.64 1h38 h ILE 573 N 0.74 1.25 -0.43 2.60 6.09 -0.82 0.72 117.51 127.67 1h38 h ILE 573 Ca 0.05 -1.08 -0.11 0.00 -1.37 0.00 0.00 64.86 62.35 1h38 h ILE 573 Cb 1.02 0.92 -0.02 0.00 0.47 0.00 0.00 36.82 39.21 1h38 h ILE 573 CO 0.10 0.38 -0.17 0.58 -3.07 0.00 0.00 178.15 175.97 1h38 h VAL 574 N 0.76 1.27 -0.63 2.19 2.07 -1.20 -1.84 116.25 118.88 1h38 h VAL 574 Ca 0.14 -1.27 0.04 0.00 0.82 0.00 0.00 66.70 66.44 1h38 h VAL 574 Cb 0.51 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1h38 h VAL 574 CO 0.03 0.43 0.36 0.00 0.02 0.00 0.00 177.57 178.41 1h38 h ALA 575 N 1.09 0.82 0.37 1.67 0.00 -0.57 -0.70 119.26 121.94 1h38 h ALA 575 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1h38 h ALA 575 Cb 0.67 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1h38 h ALA 575 CO 0.05 0.07 -0.36 0.87 0.00 0.00 0.00 179.25 179.88 1h38 h LYS 576 N 0.70 -0.72 -0.94 0.00 1.57 -0.39 -1.43 116.57 115.35 1h38 h LYS 576 Ca 0.27 0.05 0.17 0.00 -1.87 0.00 0.00 60.65 59.27 1h38 h LYS 576 Cb 0.10 0.16 -0.10 0.00 0.08 0.00 0.00 32.23 32.47 1h38 h LYS 576 CO -0.14 -0.48 0.54 0.87 -0.57 0.00 0.00 179.45 179.67 1h38 h LYS 577 N -0.75 0.68 0.00 3.15 1.57 -1.06 -1.00 116.57 119.16 1h38 h LYS 577 Ca -0.03 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1h38 h LYS 577 Cb 0.67 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 1h38 h LYS 577 CO -0.06 0.45 -0.13 0.28 -0.57 0.00 0.00 179.45 179.43 1h38 h VAL 578 N 0.70 0.69 -0.39 0.50 2.07 -0.22 -1.91 116.25 117.69 1h38 h VAL 578 Ca 0.53 0.00 0.08 0.00 0.82 0.00 0.00 66.70 68.14 1h38 h VAL 578 Cb 0.81 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1h38 h VAL 578 CO -0.38 0.00 0.27 0.78 0.02 0.00 0.00 177.57 178.26 1h38 h ASN 579 N -0.22 0.14 -0.54 0.57 2.35 -0.21 0.56 115.58 118.24 1h38 h ASN 579 Ca 0.04 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1h38 h ASN 579 Cb 0.27 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1h38 h ASN 579 CO -0.12 0.09 0.27 -0.33 -1.65 0.00 0.00 177.43 175.69 1h38 h GLU 580 N 0.16 0.77 -0.28 0.81 5.08 -0.53 -0.94 114.58 119.65 1h38 h GLU 580 Ca 0.18 -0.11 -0.17 0.00 -1.00 0.00 0.00 59.36 58.26 1h38 h GLU 580 Cb 0.50 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1h38 h GLU 580 CO -0.03 0.63 -0.50 0.82 -1.00 0.00 0.00 179.01 178.93 1h38 h ILE 581 N 0.72 1.29 -0.39 3.13 2.04 -0.74 -1.53 117.51 122.03 1h38 h ILE 581 Ca 0.19 -1.70 0.06 0.00 1.00 0.00 0.00 64.86 64.40 1h38 h ILE 581 Cb 0.10 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 1h38 h ILE 581 CO -0.02 0.55 0.09 -0.07 0.00 0.00 0.00 178.15 178.70 1h38 h LEU 582 N 0.61 0.05 -0.17 1.44 3.38 -0.63 0.12 115.31 120.11 1h38 h LEU 582 Ca 0.03 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1h38 h LEU 582 Cb 1.08 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1h38 h LEU 582 CO 0.11 0.06 -0.01 -0.61 0.09 0.00 0.00 178.44 178.08 1h38 h GLN 583 N 0.23 0.30 -0.64 1.13 4.15 -1.15 0.13 115.11 119.25 1h38 h GLN 583 Ca 0.18 -0.10 0.08 0.00 0.77 0.00 0.00 58.65 59.58 1h38 h GLN 583 Cb 0.20 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.83 1h38 h GLN 583 CO -0.23 0.53 0.43 0.00 -1.93 0.00 0.00 178.83 177.63 1h38 h ALA 584 N 0.76 1.88 0.00 3.38 0.00 -0.78 -1.58 119.26 122.91 1h38 h ALA 584 Ca 0.05 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 1h38 h ALA 584 Cb 0.41 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1h38 h ALA 584 CO 0.01 -0.00 -1.05 -0.44 0.00 0.00 0.00 179.25 177.77 1h38 h ASP 585 N 0.55 0.00 -0.55 0.00 3.32 -0.56 -2.22 116.42 116.96 1h38 h ASP 585 Ca 0.29 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 1h38 h ASP 585 Cb 0.41 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 1h38 h ASP 585 CO -0.09 0.91 0.25 0.00 -1.72 0.00 0.00 179.24 178.59 1h38 h ALA 586 N 1.09 1.33 0.06 3.45 0.00 0.01 -3.28 119.26 121.93 1h38 h ALA 586 Ca -0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1h38 h ALA 586 Cb 1.74 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1h38 h ALA 586 CO 0.11 0.51 -0.03 0.82 0.00 0.00 0.00 179.25 180.66 1h38 h ILE 587 N 0.84 0.00 0.00 0.00 1.08 -1.47 -3.48 117.51 114.48 1h38 h ILE 587 Ca 0.20 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1h38 h ILE 587 Cb 0.14 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.89 1h38 h ILE 587 CO -0.02 0.00 0.00 0.59 -0.69 0.00 0.00 178.15 178.03 1h38 n ASN 588 N -3.26 0.00 0.00 1.72 5.03 -0.84 -5.08 115.26 112.83 1h38 n ASN 588 Ca -0.01 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.44 1h38 n ASN 588 Cb 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.79 1h38 n ASN 588 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1h38 n GLY 589 N 5.00 -2.32 3.80 7.41 0.00 -1.26 -4.42 105.19 113.40 1h38 n GLY 589 Ca 0.00 -1.47 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 1h38 n GLY 589 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h38 s THR 590 N -3.04 3.75 0.44 2.61 -4.23 -1.26 -4.56 115.64 109.34 1h38 s THR 590 Ca 0.00 0.80 -0.00 0.00 -1.18 0.00 0.00 61.69 61.31 1h38 s THR 590 Cb 0.00 -3.34 -0.01 0.00 1.34 0.00 0.00 72.50 70.49 1h38 s THR 590 CO 0.00 -0.51 0.66 -1.81 -0.54 0.00 0.00 174.62 172.42 1h38 s ASP 591 N -2.84 5.95 1.02 3.99 1.01 -1.26 -1.65 116.67 122.88 1h38 s ASP 591 Ca 0.64 0.37 -0.11 0.00 0.71 0.00 0.00 52.55 54.15 1h38 s ASP 591 Cb -0.16 -1.68 0.20 0.00 1.01 0.00 0.00 42.92 42.29 1h38 s ASP 591 CO 0.39 -0.62 1.09 0.20 0.21 0.00 0.00 175.17 176.44 1h38 s ASN 592 N -4.18 2.12 -0.28 0.27 0.01 -1.26 -3.92 114.94 107.71 1h38 s ASN 592 Ca 0.47 1.88 -0.21 0.00 -0.71 0.00 0.00 52.86 54.29 1h38 s ASN 592 Cb -0.10 -2.45 0.08 0.00 0.41 0.00 0.00 41.25 39.19 1h38 s ASN 592 CO 0.38 -3.55 0.75 -0.70 -1.51 0.00 0.00 177.10 172.47 1h38 s GLU 593 N -4.58 0.73 -0.51 -0.60 2.56 -1.02 -4.83 118.70 110.44 1h38 s GLU 593 Ca 0.67 1.04 -0.14 0.00 0.00 0.00 0.00 54.97 56.54 1h38 s GLU 593 Cb -0.23 0.26 0.12 0.00 2.00 0.00 0.00 34.13 36.28 1h38 s GLU 593 CO 0.61 -0.12 0.44 0.08 -0.56 0.00 0.00 175.26 175.71 1h38 s VAL 594 N 0.95 4.95 0.45 3.70 1.01 -1.26 0.22 120.40 130.42 1h38 s VAL 594 Ca -0.04 -1.50 -0.05 0.00 0.00 0.00 0.00 61.98 60.39 1h38 s VAL 594 Cb -0.05 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1h38 s VAL 594 CO -0.09 -0.79 0.75 -0.69 0.00 0.00 0.00 175.10 174.28 1h38 s VAL 595 N 1.55 4.92 -0.02 2.92 1.01 -0.79 -4.90 120.40 125.08 1h38 s VAL 595 Ca 0.04 0.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.06 1h38 s VAL 595 Cb -0.28 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 1h38 s VAL 595 CO 0.03 -0.77 0.37 -0.89 0.00 0.00 0.00 175.10 173.84 1h38 s THR 596 N -2.64 5.10 -0.06 3.92 2.01 -1.26 -2.78 115.64 119.92 1h38 s THR 596 Ca 0.47 0.76 0.00 0.00 0.31 0.00 0.00 61.69 63.23 1h38 s THR 596 Cb -0.10 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.76 1h38 s THR 596 CO 0.42 0.58 -0.03 -0.69 -0.69 0.00 0.00 174.62 174.21 1h38 s VAL 597 N -1.03 0.55 -0.26 3.82 1.01 -0.13 -5.00 120.40 119.36 1h38 s VAL 597 Ca 0.23 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 1h38 s VAL 597 Cb -0.16 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.61 1h38 s VAL 597 CO 0.12 0.26 0.01 -0.89 0.00 0.00 0.00 175.10 174.59 1h38 s THR 598 N 1.38 3.46 0.38 3.92 2.01 -1.26 -0.16 115.64 125.37 1h38 s THR 598 Ca -0.04 -0.77 -0.26 0.00 0.31 0.00 0.00 61.69 60.93 1h38 s THR 598 Cb -0.13 -2.74 -0.12 0.00 0.01 0.00 0.00 72.50 69.52 1h38 s THR 598 CO -0.03 0.19 1.07 -0.67 -0.69 0.00 0.00 174.62 174.49 1h38 n ASP 599 N 4.78 1.59 -0.05 3.53 2.03 -0.53 -4.81 116.55 123.10 1h38 n ASP 599 Ca -0.16 1.10 -0.16 0.00 0.52 0.00 0.00 54.79 56.09 1h38 n ASP 599 Cb 0.48 -1.37 -0.06 0.00 -0.72 0.00 0.00 41.12 39.45 1h38 n ASP 599 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1h38 h GLU 600 N 1.85 0.84 0.03 -0.67 4.39 -1.96 0.10 114.58 119.16 1h38 h GLU 600 Ca -0.44 -0.62 -0.00 0.00 0.34 0.00 0.00 59.36 58.64 1h38 h GLU 600 Cb 1.33 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.08 1h38 h GLU 600 CO 0.59 1.24 -0.02 -0.91 -1.16 0.00 0.00 179.01 178.75 1h38 h ASN 601 N 0.61 -0.04 0.73 1.42 2.35 -2.00 -3.38 115.58 115.26 1h38 h ASN 601 Ca -0.02 -0.65 -0.09 0.00 -0.55 0.00 0.00 56.30 54.98 1h38 h ASN 601 Cb 1.31 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.67 1h38 h ASN 601 CO 0.15 0.73 -1.34 0.41 -1.65 0.00 0.00 177.43 175.73 1h38 n THR 602 N -4.73 0.86 -1.26 2.81 -1.04 -1.26 -4.70 114.28 104.97 1h38 n THR 602 Ca -0.08 -0.62 -0.09 0.00 -2.04 0.00 0.00 64.05 61.22 1h38 n THR 602 Cb 0.34 -0.50 -0.04 0.00 -1.82 0.00 0.00 70.33 68.30 1h38 n THR 602 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1h38 n GLY 603 N 1.31 1.04 3.70 3.41 0.00 0.36 -4.94 105.19 110.07 1h38 n GLY 603 Ca -0.06 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1h38 n GLY 603 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h38 s GLU 604 N -2.57 4.29 -0.09 1.61 2.12 -1.26 -4.63 118.70 118.17 1h38 s GLU 604 Ca 0.00 2.06 -0.30 0.00 0.36 0.00 0.00 54.97 57.09 1h38 s GLU 604 Cb 0.00 -3.44 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 1h38 s GLU 604 CO 0.00 -0.54 1.04 0.42 -0.54 0.00 0.00 175.26 175.64 1h38 s ILE 605 N 1.87 4.69 0.03 -3.70 -1.09 -1.26 -1.45 121.20 120.29 1h38 s ILE 605 Ca 0.65 1.96 0.01 0.00 -2.23 0.00 0.00 60.65 61.05 1h38 s ILE 605 Cb -0.35 -4.26 -0.02 0.00 -1.58 0.00 0.00 42.46 36.25 1h38 s ILE 605 CO 0.29 0.02 -0.06 -0.44 -1.23 0.00 0.00 174.94 173.52 1h38 s SER 606 N 1.15 0.59 -0.27 3.58 0.01 0.77 -5.00 113.70 114.53 1h38 s SER 606 Ca 0.50 -0.44 -0.10 0.00 1.31 0.00 0.00 55.95 57.22 1h38 s SER 606 Cb -0.20 0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.03 1h38 s SER 606 CO 0.19 -0.19 0.16 -1.61 0.41 0.00 0.00 173.24 172.21 1h38 s GLU 607 N -1.27 3.87 -0.05 12.44 2.02 -1.26 -0.96 118.70 133.50 1h38 s GLU 607 Ca -0.10 -0.36 0.00 0.00 0.02 0.00 0.00 54.97 54.53 1h38 s GLU 607 Cb -0.08 -3.57 0.02 0.00 0.10 0.00 0.00 34.13 30.60 1h38 s GLU 607 CO -0.00 -0.18 -0.02 0.15 0.02 0.00 0.00 175.26 175.23 1h38 s LYS 608 N 1.72 0.63 -0.12 1.61 1.02 -1.12 -5.02 119.74 118.46 1h38 s LYS 608 Ca 0.07 0.01 -0.20 0.00 0.02 0.00 0.00 55.97 55.86 1h38 s LYS 608 Cb -0.16 -0.80 -0.04 0.00 -0.52 0.00 0.00 37.83 36.31 1h38 s LYS 608 CO 0.09 -0.17 0.58 0.54 -0.92 0.00 0.00 175.35 175.47 1h38 s VAL 609 N 1.30 5.11 -1.09 3.17 0.11 -1.26 -1.89 120.40 125.85 1h38 s VAL 609 Ca -0.05 1.15 -0.19 0.00 -2.93 0.00 0.00 61.98 59.95 1h38 s VAL 609 Cb -0.13 -3.91 0.09 0.00 -1.53 0.00 0.00 36.38 30.90 1h38 s VAL 609 CO -0.02 0.26 1.44 -0.75 -3.33 0.00 0.00 175.10 172.69 1h38 s LYS 610 N 0.96 3.76 0.09 1.54 2.20 0.60 -4.89 119.74 124.00 1h38 s LYS 610 Ca 0.30 -1.69 -0.36 0.00 -0.36 0.00 0.00 55.97 53.86 1h38 s LYS 610 Cb -0.16 -5.25 -0.17 0.00 -1.51 0.00 0.00 37.83 30.73 1h38 s LYS 610 CO 0.13 -2.05 1.16 1.28 -0.36 0.00 0.00 175.35 175.51 1h38 n LEU 611 N 7.73 0.97 -4.90 5.43 4.77 -1.26 -2.45 117.00 127.30 1h38 n LEU 611 Ca 0.35 1.14 -0.30 0.00 -0.03 0.00 0.00 56.01 57.17 1h38 n LEU 611 Cb 0.48 -1.11 0.18 0.00 -2.33 0.00 0.00 43.42 40.64 1h38 n LEU 611 CO 0.64 -1.48 0.84 -0.83 -1.33 0.00 0.00 177.39 175.24 1h38 s GLY 612 N 0.12 1.74 0.29 -0.72 0.00 -1.25 -4.80 107.32 102.70 1h38 s GLY 612 Ca 0.82 -1.10 -0.02 0.00 0.00 0.00 0.00 44.72 44.42 1h38 s GLY 612 CO 0.52 -0.36 1.92 -0.91 0.00 0.00 0.00 173.10 174.26 1h38 h THR 613 N -1.63 1.21 -0.19 0.90 1.35 -1.81 -1.31 112.91 111.42 1h38 h THR 613 Ca -0.45 -0.54 0.05 0.00 -0.55 0.00 0.00 66.41 64.92 1h38 h THR 613 Cb 1.25 0.25 -0.05 0.00 -1.73 0.00 0.00 68.15 67.87 1h38 h THR 613 CO 0.42 0.24 -0.15 0.50 -0.25 0.00 0.00 175.52 176.28 1h38 h LYS 614 N 0.99 -0.14 -0.27 4.72 3.64 -1.43 0.28 116.57 124.35 1h38 h LYS 614 Ca 0.25 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.58 1h38 h LYS 614 Cb 0.03 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1h38 h LYS 614 CO -0.04 -0.10 -0.07 0.00 -2.27 0.00 0.00 179.45 176.97 1h38 h ALA 615 N 0.98 0.38 -0.41 5.00 0.00 -1.69 -2.20 119.26 121.32 1h38 h ALA 615 Ca 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1h38 h ALA 615 Cb 0.32 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1h38 h ALA 615 CO -0.29 0.20 0.26 -0.07 0.00 0.00 0.00 179.25 179.35 1h38 h LEU 616 N 0.29 0.49 -0.74 0.00 3.38 -0.96 -1.85 115.31 115.92 1h38 h LEU 616 Ca 0.07 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1h38 h LEU 616 Cb 0.55 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1h38 h LEU 616 CO 0.03 0.39 0.46 0.00 0.09 0.00 0.00 178.44 179.40 1h38 h ALA 617 N 1.12 0.97 -0.93 1.53 0.00 -0.41 -1.31 119.26 120.24 1h38 h ALA 617 Ca 0.15 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.14 1h38 h ALA 617 Cb -0.02 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.47 1h38 h ALA 617 CO -0.03 0.23 0.57 0.78 0.00 0.00 0.00 179.25 180.80 1h38 h GLY 618 N 0.88 1.46 0.81 0.00 0.00 -0.74 -0.29 103.07 105.20 1h38 h GLY 618 Ca 0.30 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 1h38 h GLY 618 CO -0.13 0.19 0.01 1.46 0.00 0.00 0.00 176.54 178.07 1h38 h GLN 619 N 0.95 0.03 -0.32 4.80 4.20 -0.47 0.19 115.11 124.49 1h38 h GLN 619 Ca 0.44 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.13 1h38 h GLN 619 Cb 0.36 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1h38 h GLN 619 CO -0.24 0.22 0.17 -1.49 -0.67 0.00 0.00 178.83 176.82 1h38 h TRP 620 N -0.16 0.45 -0.86 2.96 -0.00 -0.97 0.53 115.95 117.91 1h38 h TRP 620 Ca 0.01 -0.02 0.01 0.00 -0.00 0.00 0.00 58.89 58.89 1h38 h TRP 620 Cb 0.20 -0.14 -0.04 0.00 -0.00 0.00 0.00 29.16 29.18 1h38 h TRP 620 CO -0.01 0.39 0.57 -0.07 -0.00 0.00 0.00 178.44 179.32 1h38 h LEU 621 N 0.39 0.98 -1.21 -4.49 3.38 -1.03 0.95 115.31 114.29 1h38 h LEU 621 Ca 0.11 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.14 1h38 h LEU 621 Cb 0.09 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 1h38 h LEU 621 CO -0.02 0.71 0.57 0.00 0.09 0.00 0.00 178.44 179.79 1h38 h ALA 622 N 1.31 1.61 0.07 1.53 0.00 0.56 -2.71 119.26 121.64 1h38 h ALA 622 Ca 0.31 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 1h38 h ALA 622 Cb -0.13 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 17.45 1h38 h ALA 622 CO -0.07 0.23 -0.67 -0.92 0.00 0.00 0.00 179.25 177.83 1h38 h TYR 623 N 0.91 0.53 -0.08 0.00 3.20 0.17 -3.50 116.97 118.20 1h38 h TYR 623 Ca 0.39 -0.34 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1h38 h TYR 623 Cb 0.33 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1h38 h TYR 623 CO -0.00 1.21 0.00 0.41 -1.64 0.00 0.00 178.16 178.14 1h38 n GLY 624 N 1.40 0.15 3.69 1.82 0.00 0.31 -5.08 105.19 107.49 1h38 n GLY 624 Ca -0.12 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 1h38 n GLY 624 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h38 s VAL 625 N 0.00 5.11 0.20 1.61 1.01 -1.25 -5.03 120.40 122.05 1h38 s VAL 625 Ca 0.00 1.08 0.04 0.00 0.00 0.00 0.00 61.98 63.11 1h38 s VAL 625 Cb 0.00 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1h38 s VAL 625 CO 0.00 0.23 0.18 0.35 0.00 0.00 0.00 175.10 175.86 1h38 n THR 626 N 4.12 0.00 -0.06 3.92 -2.24 -1.26 -4.95 114.28 113.81 1h38 n THR 626 Ca -0.04 -1.46 0.24 0.00 -2.27 0.00 0.00 64.05 60.52 1h38 n THR 626 Cb 0.51 0.74 0.72 0.00 -2.10 0.00 0.00 70.33 70.19 1h38 n THR 626 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1h38 h ARG 627 N 0.00 0.00 -0.06 -0.78 0.11 -1.89 0.14 114.38 111.90 1h38 h ARG 627 Ca -0.14 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.90 1h38 h ARG 627 Cb 0.73 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.80 1h38 h ARG 627 CO 0.21 0.00 -0.13 0.77 0.10 0.00 0.00 179.97 180.92 1h38 h SER 628 N 0.00 0.08 1.69 0.08 0.02 -1.96 0.19 113.55 113.65 1h38 h SER 628 Ca 0.32 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1h38 h SER 628 Cb 1.37 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1h38 h SER 628 CO -0.00 0.22 0.00 0.58 -1.14 0.00 0.00 176.83 176.49 1h38 h VAL 629 N 0.08 0.00 0.00 2.27 2.07 -1.36 -3.33 116.25 115.99 1h38 h VAL 629 Ca 0.02 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1h38 h VAL 629 Cb 0.28 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1h38 h VAL 629 CO 0.02 0.00 -0.87 0.35 0.02 0.00 0.00 177.57 177.09 1h38 n THR 630 N -2.92 0.00 0.00 2.57 -2.24 -0.76 -4.81 114.28 106.12 1h38 n THR 630 Ca 0.04 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1h38 n THR 630 Cb 0.46 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 1h38 n THR 630 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1h38 n LYS 631 N -1.48 0.00 -0.24 -0.78 4.81 0.60 -2.07 118.16 119.00 1h38 n LYS 631 Ca -0.00 0.63 0.03 0.00 -0.87 0.00 0.00 58.31 58.11 1h38 n LYS 631 Cb 0.16 -1.18 0.13 0.00 0.02 0.00 0.00 35.03 34.16 1h38 n LYS 631 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1h38 h ARG 632 N 0.00 0.09 -0.58 1.64 3.08 -1.87 -1.09 114.38 115.65 1h38 h ARG 632 Ca 0.00 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.11 1h38 h ARG 632 Cb 0.00 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 29.97 1h38 h ARG 632 CO 0.00 0.06 0.27 0.77 -1.07 0.00 0.00 179.97 180.00 1h38 h SER 633 N 0.09 0.35 0.28 7.04 0.02 -1.82 -0.40 113.55 119.11 1h38 h SER 633 Ca 0.38 0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 61.23 1h38 h SER 633 Cb 0.64 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 1h38 h SER 633 CO -0.64 0.23 -0.57 1.62 -1.14 0.00 0.00 176.83 176.33 1h38 h VAL 634 N 0.50 1.36 -0.00 2.27 3.04 -0.69 -2.69 116.25 120.04 1h38 h VAL 634 Ca 0.27 -1.88 0.00 0.00 -1.01 0.00 0.00 66.70 64.08 1h38 h VAL 634 Cb 0.24 1.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1h38 h VAL 634 CO -0.22 0.56 -0.06 1.15 -1.01 0.00 0.00 177.57 178.00 1h38 n MET 635 N -3.91 0.40 -0.10 4.17 0.00 -0.52 -2.63 117.12 114.54 1h38 n MET 635 Ca -0.02 -0.06 0.09 0.00 0.00 0.00 0.00 57.70 57.70 1h38 n MET 635 Cb 0.60 -1.50 0.13 0.00 0.00 0.00 0.00 33.22 32.45 1h38 n MET 635 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1h38 n THR 636 N -1.24 0.37 -0.33 3.17 -2.24 -0.23 -4.51 114.28 109.27 1h38 n THR 636 Ca 0.13 -0.69 -0.04 0.00 -2.27 0.00 0.00 64.05 61.18 1h38 n THR 636 Cb 0.27 1.04 0.09 0.00 -2.10 0.00 0.00 70.33 69.64 1h38 n THR 636 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1h38 h LEU 637 N 3.26 1.12 0.00 3.22 5.85 -1.24 -1.37 115.31 126.15 1h38 h LEU 637 Ca 0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1h38 h LEU 637 Cb 0.76 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1h38 h LEU 637 CO 0.00 0.90 0.00 0.00 -0.34 0.00 0.00 178.44 179.00 1h38 n ALA 638 N -2.41 2.34 0.72 1.25 0.00 -1.26 -2.09 120.51 119.05 1h38 n ALA 638 Ca 0.09 -0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.49 1h38 n ALA 638 Cb 0.10 -1.37 0.09 0.00 0.00 0.00 0.00 19.45 18.27 1h38 n ALA 638 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1h38 n TYR 639 N -1.02 0.05 0.00 0.00 4.01 -0.53 -4.06 117.16 115.60 1h38 n TYR 639 Ca 0.17 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 1h38 n TYR 639 Cb 0.09 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1h38 n TYR 639 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1h38 n GLY 640 N 1.07 0.48 3.77 2.72 0.00 -0.89 -4.89 105.19 107.45 1h38 n GLY 640 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1h38 n GLY 640 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h38 s SER 641 N -2.13 6.99 0.00 1.61 1.04 -1.13 -5.02 113.70 115.07 1h38 s SER 641 Ca 0.00 2.20 0.00 0.00 0.48 0.00 0.00 55.95 58.63 1h38 s SER 641 Cb 0.00 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.51 1h38 s SER 641 CO 0.00 -0.34 0.00 0.29 0.98 0.00 0.00 173.24 174.17 1h38 n LYS 642 N 0.60 0.36 -0.14 4.02 5.02 -1.26 -4.47 118.16 122.30 1h38 n LYS 642 Ca 0.02 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.23 1h38 n LYS 642 Cb 0.47 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.41 1h38 n LYS 642 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1h38 h GLU 643 N 0.00 -0.16 -0.80 1.97 4.81 -1.95 -0.53 114.58 117.92 1h38 h GLU 643 Ca 0.00 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.36 1h38 h GLU 643 Cb 0.00 0.04 -0.13 0.00 0.63 0.00 0.00 28.75 29.28 1h38 h GLU 643 CO 0.00 -0.11 -0.39 0.35 -0.73 0.00 0.00 179.01 178.13 1h38 h PHE 644 N -0.17 -1.11 -0.15 0.92 3.57 -1.97 0.35 116.94 118.38 1h38 h PHE 644 Ca 0.06 0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.70 1h38 h PHE 644 Cb 0.33 0.60 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1h38 h PHE 644 CO -0.78 -0.40 0.12 0.78 -2.23 0.00 0.00 178.31 175.80 1h38 h GLY 645 N -0.09 0.00 2.00 2.40 0.00 -1.55 -1.90 103.07 103.93 1h38 h GLY 645 Ca 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.51 1h38 h GLY 645 CO -0.84 0.00 -0.42 0.74 0.00 0.00 0.00 176.54 176.02 1h38 h PHE 646 N 0.00 0.00 0.03 5.60 0.04 0.12 -3.22 116.94 119.50 1h38 h PHE 646 Ca 0.07 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.86 1h38 h PHE 646 Cb 0.31 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.42 1h38 h PHE 646 CO 0.00 0.42 -0.21 0.00 -0.60 0.00 0.00 178.31 177.93 1h38 h ARG 647 N 0.00 -0.33 -0.39 1.51 3.08 -1.17 0.36 114.38 117.43 1h38 h ARG 647 Ca -0.00 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.10 1h38 h ARG 647 Cb 0.90 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.99 1h38 h ARG 647 CO 0.05 -0.22 0.18 0.37 -1.07 0.00 0.00 179.97 179.28 1h38 h GLN 648 N -0.34 0.36 0.29 0.04 5.75 -1.70 0.65 115.11 120.15 1h38 h GLN 648 Ca 0.05 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1h38 h GLN 648 Cb 0.41 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.86 1h38 h GLN 648 CO -0.17 0.23 -0.28 1.96 -2.65 0.00 0.00 178.83 177.93 1h38 h GLN 649 N 0.37 -0.57 -0.07 1.69 4.20 -1.47 -1.18 115.11 118.07 1h38 h GLN 649 Ca 0.17 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1h38 h GLN 649 Cb 0.10 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1h38 h GLN 649 CO -0.14 -0.38 0.04 0.28 -0.67 0.00 0.00 178.83 177.96 1h38 h VAL 650 N -0.59 1.01 -0.89 -0.54 2.07 -0.74 0.52 116.25 117.10 1h38 h VAL 650 Ca -0.01 -0.03 0.13 0.00 0.82 0.00 0.00 66.70 67.60 1h38 h VAL 650 Cb 0.54 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 1h38 h VAL 650 CO -0.05 0.02 0.57 0.25 0.02 0.00 0.00 177.57 178.38 1h38 h LEU 651 N 0.09 0.71 -1.47 2.57 7.12 -0.66 -1.86 115.31 121.81 1h38 h LEU 651 Ca 0.02 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.07 1h38 h LEU 651 Cb -0.01 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.01 1h38 h LEU 651 CO -0.01 0.38 0.00 -1.84 -0.13 0.00 0.00 178.44 176.85 1h38 n GLU 652 N -4.55 0.57 -0.02 1.25 0.28 -0.47 -0.15 120.64 117.55 1h38 n GLU 652 Ca 0.17 -1.17 0.04 0.00 -0.16 0.00 0.00 57.16 56.03 1h38 n GLU 652 Cb 0.41 -1.21 -0.15 0.00 1.43 0.00 0.00 31.44 31.92 1h38 n GLU 652 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1h38 n ASP 653 N 0.59 0.15 0.00 -1.84 8.00 0.18 -4.54 116.55 119.09 1h38 n ASP 653 Ca 0.06 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1h38 n ASP 653 Cb 0.27 1.42 0.00 0.00 -0.02 0.00 0.00 41.12 42.79 1h38 n ASP 653 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1h38 n THR 654 N -2.49 0.00 -0.19 -3.53 -2.24 -0.76 -4.76 114.28 100.31 1h38 n THR 654 Ca -0.13 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.63 1h38 n THR 654 Cb 0.77 -0.55 0.08 0.00 -2.10 0.00 0.00 70.33 68.52 1h38 n THR 654 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1h38 h ILE 655 N 0.00 0.86 0.00 2.28 2.04 -1.49 -0.22 117.51 120.97 1h38 h ILE 655 Ca 0.00 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1h38 h ILE 655 Cb 0.06 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1h38 h ILE 655 CO 0.00 0.08 0.00 1.67 0.00 0.00 0.00 178.15 179.90 1h38 n GLN 656 N -4.94 0.00 -0.31 2.37 -0.06 0.79 -2.65 117.38 112.59 1h38 n GLN 656 Ca 0.07 0.47 0.25 0.00 -2.00 0.00 0.00 57.00 55.79 1h38 n GLN 656 Cb 0.21 -1.42 0.57 0.00 -4.06 0.00 0.00 30.24 25.54 1h38 n GLN 656 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 1h38 h PRO 657 N 0.00 0.28 0.19 3.69 0.13 -1.79 -0.91 132.00 133.58 1h38 h PRO 657 Ca 0.00 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1h38 h PRO 657 Cb 0.00 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.02 1h38 h PRO 657 CO 0.00 0.18 -0.52 0.00 -0.23 0.00 0.00 178.00 177.43 1h38 h ALA 658 N 1.57 -1.02 0.03 -0.56 0.00 -0.96 0.28 119.26 118.61 1h38 h ALA 658 Ca 0.57 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.38 1h38 h ALA 658 Cb 1.65 0.87 -0.04 0.00 0.00 0.00 0.00 17.79 20.27 1h38 h ALA 658 CO -0.21 -1.14 -0.26 0.82 0.00 0.00 0.00 179.25 178.46 1h38 h ILE 659 N -0.79 0.41 0.00 0.00 2.04 -0.96 -1.07 117.51 117.14 1h38 h ILE 659 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1h38 h ILE 659 Cb 0.77 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1h38 h ILE 659 CO -0.25 0.00 0.00 0.44 0.00 0.00 0.00 178.15 178.34 1h38 h ASP 660 N -0.43 0.00 -0.27 1.72 3.32 -1.11 -1.14 116.42 118.51 1h38 h ASP 660 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1h38 h ASP 660 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1h38 h ASP 660 CO -0.21 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.11 1h38 n SER 661 N -2.70 3.17 0.00 6.45 7.64 0.98 -4.95 113.62 124.21 1h38 n SER 661 Ca -0.01 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 57.90 1h38 n SER 661 Cb 0.11 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 1h38 n SER 661 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h38 n GLY 662 N 1.44 3.26 0.00 0.23 0.00 -0.43 -5.05 105.19 104.63 1h38 n GLY 662 Ca 0.18 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1h38 n GLY 662 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1h38 n LYS 663 N 0.00 2.47 -0.64 1.61 4.81 -0.50 -4.38 118.16 121.53 1h38 n LYS 663 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1h38 n LYS 663 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1h38 n LYS 663 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1h38 n GLY 664 N 1.52 0.43 0.39 3.14 0.00 -1.24 -3.50 105.19 105.92 1h38 n GLY 664 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 1h38 n GLY 664 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1h38 h LEU 665 N 0.00 0.14 -1.35 0.99 3.38 -1.90 0.37 115.31 116.94 1h38 h LEU 665 Ca 0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1h38 h LEU 665 Cb 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1h38 h LEU 665 CO 0.00 0.07 -0.15 0.00 0.09 0.00 0.00 178.44 178.45 1h38 h MET 666 N 0.14 0.00 -4.41 1.13 -0.00 -1.92 -3.36 114.93 106.51 1h38 h MET 666 Ca 0.31 0.00 -0.72 0.00 -0.00 0.00 0.00 59.70 59.30 1h38 h MET 666 Cb 1.03 0.00 -0.09 0.00 -0.00 0.00 0.00 31.60 32.54 1h38 h MET 666 CO -0.04 0.15 2.47 1.19 -0.00 0.00 0.00 176.91 180.68 1h38 n PHE 667 N -3.34 3.83 0.22 -0.10 3.72 0.13 -4.77 117.46 117.15 1h38 n PHE 667 Ca -0.00 -2.95 -0.15 0.00 -0.05 0.00 0.00 57.45 54.30 1h38 n PHE 667 Cb 0.37 -2.40 -0.08 0.00 -0.94 0.00 0.00 39.48 36.43 1h38 n PHE 667 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1h38 h THR 668 N 4.38 0.56 -3.01 4.37 2.02 -1.79 -3.32 112.91 116.12 1h38 h THR 668 Ca 0.47 0.00 -0.70 0.00 0.77 0.00 0.00 66.41 66.95 1h38 h THR 668 Cb 0.72 0.56 -0.36 0.00 -1.74 0.00 0.00 68.15 67.33 1h38 h THR 668 CO 1.66 0.00 -0.04 0.00 0.37 0.00 0.00 175.52 177.51 1h38 n GLN 669 N -5.34 2.94 -0.28 6.66 3.00 -1.26 -4.98 117.38 118.12 1h38 n GLN 669 Ca -0.10 -4.54 0.02 0.00 -0.01 0.00 0.00 57.00 52.37 1h38 n GLN 669 Cb 0.25 -2.40 0.07 0.00 0.00 0.00 0.00 30.24 28.16 1h38 n GLN 669 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1h38 n PRO 670 N 1.81 -0.11 -0.25 -1.09 -0.02 -1.25 0.09 135.00 134.18 1h38 n PRO 670 Ca 0.24 1.16 -0.06 0.00 -2.02 0.00 0.00 63.50 62.82 1h38 n PRO 670 Cb 0.37 -1.73 0.05 0.00 -0.02 0.00 0.00 33.50 32.17 1h38 n PRO 670 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1h38 h ASN 671 N 0.00 0.91 -0.76 2.55 4.21 -1.95 0.25 115.58 120.79 1h38 h ASN 671 Ca 0.32 -0.14 -0.02 0.00 1.21 0.00 0.00 56.30 57.66 1h38 h ASN 671 Cb 0.50 -0.24 -0.04 0.00 -1.12 0.00 0.00 38.32 37.43 1h38 h ASN 671 CO -0.76 0.80 0.39 1.56 -1.29 0.00 0.00 177.43 178.13 1h38 h GLN 672 N 0.96 1.10 -0.23 0.81 4.20 -0.77 0.15 115.11 121.33 1h38 h GLN 672 Ca 0.23 -0.15 -0.18 0.00 0.06 0.00 0.00 58.65 58.62 1h38 h GLN 672 Cb 0.14 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 1h38 h GLN 672 CO -0.03 0.83 -0.59 0.00 -0.67 0.00 0.00 178.83 178.38 1h38 h ALA 673 N 1.33 0.53 -0.15 3.87 0.00 -0.64 -2.30 119.26 121.89 1h38 h ALA 673 Ca 0.27 -0.53 -0.21 0.00 0.00 0.00 0.00 54.91 54.43 1h38 h ALA 673 Cb 0.09 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1h38 h ALA 673 CO -0.04 0.69 -0.75 0.00 0.00 0.00 0.00 179.25 179.15 1h38 h ALA 674 N 0.77 0.37 -0.79 0.00 0.00 -0.23 -2.20 119.26 117.18 1h38 h ALA 674 Ca 0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 1h38 h ALA 674 Cb 1.18 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1h38 h ALA 674 CO 0.12 0.70 0.37 0.78 0.00 0.00 0.00 179.25 181.22 1h38 h GLY 675 N 0.69 1.22 0.94 0.00 0.00 -0.98 -0.67 103.07 104.27 1h38 h GLY 675 Ca -0.04 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 1h38 h GLY 675 CO 0.15 0.58 -0.24 -1.82 0.00 0.00 0.00 176.54 175.21 1h38 h TYR 676 N 1.13 -0.62 -0.84 5.60 3.20 -1.35 -1.84 116.97 122.25 1h38 h TYR 676 Ca 0.27 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.21 1h38 h TYR 676 Cb 0.13 0.20 -0.07 0.00 1.54 0.00 0.00 36.73 38.53 1h38 h TYR 676 CO 0.01 -0.35 0.50 1.98 -1.64 0.00 0.00 178.16 178.67 1h38 h MET 677 N -0.74 0.85 -0.58 1.82 4.05 -1.21 0.33 114.93 119.45 1h38 h MET 677 Ca -0.07 -0.05 0.07 0.00 -0.28 0.00 0.00 59.70 59.37 1h38 h MET 677 Cb 0.54 -0.19 -0.06 0.00 -0.80 0.00 0.00 31.60 31.09 1h38 h MET 677 CO 0.11 0.56 0.26 0.00 0.23 0.00 0.00 176.91 178.08 1h38 h ALA 678 N 1.43 0.76 -0.57 0.39 0.00 -0.97 0.65 119.26 120.96 1h38 h ALA 678 Ca 0.39 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.41 1h38 h ALA 678 Cb 0.27 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1h38 h ALA 678 CO -0.21 -0.12 0.27 -0.22 0.00 0.00 0.00 179.25 178.97 1h38 h LYS 679 N 0.49 0.49 -0.25 0.00 1.63 -0.13 0.12 116.57 118.92 1h38 h LYS 679 Ca 0.28 -0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.93 1h38 h LYS 679 Cb 0.26 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1h38 h LYS 679 CO -0.23 0.32 -0.30 -0.07 -3.45 0.00 0.00 179.45 175.72 1h38 h LEU 680 N 0.50 0.71 -1.33 5.20 4.07 0.07 -1.90 115.31 122.63 1h38 h LEU 680 Ca 0.26 -0.49 -0.06 0.00 0.08 0.00 0.00 57.88 57.67 1h38 h LEU 680 Cb 0.22 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1h38 h LEU 680 CO -0.21 1.06 -0.20 0.40 -1.08 0.00 0.00 178.44 178.40 1h38 h ILE 681 N 0.37 1.20 -0.12 1.22 2.04 0.79 -0.33 117.51 122.68 1h38 h ILE 681 Ca 0.03 -0.94 -0.05 0.00 1.00 0.00 0.00 64.86 64.91 1h38 h ILE 681 Cb 0.88 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1h38 h ILE 681 CO 0.07 0.28 -0.12 -0.25 0.00 0.00 0.00 178.15 178.13 1h38 h TRP 682 N 0.18 0.36 -0.29 1.37 2.91 -0.65 -1.62 115.95 118.21 1h38 h TRP 682 Ca 0.03 -0.11 -0.03 0.00 1.13 0.00 0.00 58.89 59.92 1h38 h TRP 682 Cb 0.47 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 29.03 1h38 h TRP 682 CO 0.01 0.71 0.07 0.93 -1.03 0.00 0.00 178.44 179.12 1h38 h GLU 683 N -0.09 0.41 0.02 2.65 5.08 -1.08 -1.55 114.58 120.02 1h38 h GLU 683 Ca 0.02 -0.06 -0.23 0.00 -1.00 0.00 0.00 59.36 58.10 1h38 h GLU 683 Cb 0.65 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1h38 h GLU 683 CO 0.03 0.39 -0.97 0.77 -1.00 0.00 0.00 179.01 178.22 1h38 h SER 684 N 0.41 0.43 0.19 1.42 0.02 -0.94 -3.28 113.55 111.80 1h38 h SER 684 Ca 0.10 -0.36 -0.31 0.00 -0.84 0.00 0.00 61.79 60.37 1h38 h SER 684 Cb 0.17 -0.13 0.03 0.00 0.14 0.00 0.00 62.40 62.61 1h38 h SER 684 CO -0.00 1.18 -1.33 -0.37 -1.14 0.00 0.00 176.83 175.17 1h38 h VAL 685 N 0.17 1.30 0.00 2.27 -1.51 -1.11 -3.11 116.25 114.25 1h38 h VAL 685 Ca -0.08 -2.58 0.00 0.00 -1.23 0.00 0.00 66.70 62.81 1h38 h VAL 685 Cb 1.62 2.92 0.00 0.00 -2.13 0.00 0.00 31.29 33.70 1h38 h VAL 685 CO 0.16 0.78 0.00 -1.54 -1.23 0.00 0.00 177.57 175.74 1h38 n SER 686 N -3.79 0.00 -0.24 4.19 3.41 -0.60 -1.21 113.62 115.39 1h38 n SER 686 Ca -0.15 0.46 0.03 0.00 -0.26 0.00 0.00 58.87 58.94 1h38 n SER 686 Cb 1.03 -0.47 0.02 0.00 -0.26 0.00 0.00 64.21 64.54 1h38 n SER 686 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1h38 n VAL 687 N -1.47 0.00 -0.09 -3.33 0.24 -1.22 -4.08 118.33 108.38 1h38 n VAL 687 Ca 0.01 -0.49 -0.11 0.00 -2.04 0.00 0.00 64.34 61.72 1h38 n VAL 687 Cb 0.06 1.12 -0.11 0.00 -1.47 0.00 0.00 33.84 33.44 1h38 n VAL 687 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1h38 n THR 688 N 0.21 1.12 -3.04 3.34 -1.04 -0.35 -4.67 114.28 109.85 1h38 n THR 688 Ca 0.04 -0.55 -0.22 0.00 -2.04 0.00 0.00 64.05 61.27 1h38 n THR 688 Cb 0.16 -0.91 -0.03 0.00 -1.82 0.00 0.00 70.33 67.72 1h38 n THR 688 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1h38 n VAL 689 N -2.85 1.44 -0.24 12.58 0.24 -0.38 -2.20 118.33 126.92 1h38 n VAL 689 Ca -0.31 -5.03 0.05 0.00 -2.04 0.00 0.00 64.34 57.01 1h38 n VAL 689 Cb 0.94 -0.79 0.16 0.00 -1.47 0.00 0.00 33.84 32.68 1h38 n VAL 689 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1h38 h VAL 690 N 2.01 0.50 0.10 3.34 2.07 -1.76 -2.25 116.25 120.26 1h38 h VAL 690 Ca 0.11 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1h38 h VAL 690 Cb 0.75 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1h38 h VAL 690 CO 0.66 0.04 -0.25 0.00 0.02 0.00 0.00 177.57 178.03 1h38 h ALA 691 N 1.60 -0.42 -1.00 1.67 0.00 -1.91 -1.38 119.26 117.81 1h38 h ALA 691 Ca 0.40 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.39 1h38 h ALA 691 Cb 0.67 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 1h38 h ALA 691 CO -0.52 -0.79 0.63 0.00 0.00 0.00 0.00 179.25 178.58 1h38 h ALA 692 N 0.30 1.53 -0.34 0.00 0.00 -1.67 0.34 119.26 119.41 1h38 h ALA 692 Ca 0.03 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1h38 h ALA 692 Cb 0.48 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1h38 h ALA 692 CO -0.15 0.23 -0.06 0.28 0.00 0.00 0.00 179.25 179.54 1h38 h VAL 693 N 0.99 1.27 0.08 0.00 2.07 -1.04 -2.84 116.25 116.79 1h38 h VAL 693 Ca 0.50 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1h38 h VAL 693 Cb 0.49 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1h38 h VAL 693 CO -0.26 0.36 -0.04 -0.33 0.02 0.00 0.00 177.57 177.32 1h38 h GLU 694 N 0.43 -0.10 -0.49 1.57 4.39 -0.43 -2.23 114.58 117.71 1h38 h GLU 694 Ca 0.09 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.88 1h38 h GLU 694 Cb 0.55 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.16 1h38 h GLU 694 CO 0.03 0.29 0.11 0.00 -1.16 0.00 0.00 179.01 178.28 1h38 h ALA 695 N 0.35 0.55 -0.86 3.43 0.00 -1.05 0.07 119.26 121.75 1h38 h ALA 695 Ca -0.01 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1h38 h ALA 695 Cb 0.44 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1h38 h ALA 695 CO 0.02 -0.30 0.43 0.52 0.00 0.00 0.00 179.25 179.92 1h38 h MET 696 N 0.25 1.24 -0.40 0.00 2.86 -1.51 0.22 114.93 117.59 1h38 h MET 696 Ca 0.24 -0.18 -0.08 0.00 -2.06 0.00 0.00 59.70 57.63 1h38 h MET 696 Cb 0.31 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1h38 h MET 696 CO -0.31 0.94 -0.08 -0.91 1.06 0.00 0.00 176.91 177.62 1h38 h ASN 697 N 1.23 0.66 0.59 1.22 2.35 -0.60 -0.07 115.58 120.95 1h38 h ASN 697 Ca 0.30 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1h38 h ASN 697 Cb 0.10 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.30 1h38 h ASN 697 CO -0.04 0.78 -0.28 -0.25 -1.65 0.00 0.00 177.43 175.99 1h38 h TRP 698 N 0.63 -0.73 -0.94 1.19 7.01 -0.42 -1.34 115.95 121.35 1h38 h TRP 698 Ca 0.12 -0.02 0.24 0.00 2.11 0.00 0.00 58.89 61.33 1h38 h TRP 698 Cb 0.51 0.24 -0.06 0.00 -2.10 0.00 0.00 29.16 27.75 1h38 h TRP 698 CO 0.02 -0.40 0.63 -0.07 -2.79 0.00 0.00 178.44 175.83 1h38 h LEU 699 N -1.10 0.28 -0.42 0.65 3.38 -0.89 0.40 115.31 117.61 1h38 h LEU 699 Ca -0.08 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 1h38 h LEU 699 Cb 0.66 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1h38 h LEU 699 CO 0.13 0.09 -0.62 0.50 0.09 0.00 0.00 178.44 178.63 1h38 h LYS 700 N 0.27 0.59 -0.67 1.13 3.64 -0.82 -2.56 116.57 118.15 1h38 h LYS 700 Ca 0.48 -0.41 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 1h38 h LYS 700 Cb 1.43 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.29 1h38 h LYS 700 CO -0.14 1.03 0.11 0.77 -2.27 0.00 0.00 179.45 178.95 1h38 h SER 701 N 0.44 1.05 0.24 4.20 0.02 0.90 -1.88 113.55 118.52 1h38 h SER 701 Ca -0.01 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1h38 h SER 701 Cb 1.19 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1h38 h SER 701 CO 0.12 1.04 -0.12 0.00 -1.14 0.00 0.00 176.83 176.73 1h38 h ALA 702 N 1.08 -0.32 -0.50 3.77 0.00 -1.13 -2.61 119.26 119.55 1h38 h ALA 702 Ca 0.20 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1h38 h ALA 702 Cb 0.44 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1h38 h ALA 702 CO 0.01 -0.51 0.34 0.00 0.00 0.00 0.00 179.25 179.09 1h38 h ALA 703 N -0.01 2.16 0.56 0.00 0.00 -1.43 -1.76 119.26 118.78 1h38 h ALA 703 Ca -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1h38 h ALA 703 Cb 0.46 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1h38 h ALA 703 CO 0.05 -0.29 -0.27 -0.22 0.00 0.00 0.00 179.25 178.53 1h38 h LYS 704 N 0.23 -0.73 0.08 0.00 3.64 -1.11 -1.13 116.57 117.55 1h38 h LYS 704 Ca 0.23 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1h38 h LYS 704 Cb 0.62 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1h38 h LYS 704 CO -0.04 -0.44 -0.22 -0.07 -2.27 0.00 0.00 179.45 176.41 1h38 h LEU 705 N -0.88 -0.66 -2.00 5.20 3.38 -1.04 -1.62 115.31 117.69 1h38 h LEU 705 Ca -0.08 0.07 0.39 0.00 0.09 0.00 0.00 57.88 58.35 1h38 h LEU 705 Cb 0.62 0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 1h38 h LEU 705 CO 0.13 -0.24 0.98 -0.07 0.09 0.00 0.00 178.44 179.32 1h38 h LEU 706 N -0.34 0.00 -1.48 1.67 4.07 -1.37 0.83 115.31 118.69 1h38 h LEU 706 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1h38 h LEU 706 Cb 0.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1h38 h LEU 706 CO -0.11 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.25 1h38 n ALA 707 N -2.80 2.51 -1.79 1.53 0.00 -0.43 -0.04 120.51 119.49 1h38 n ALA 707 Ca 0.30 -0.60 -0.31 0.00 0.00 0.00 0.00 53.44 52.82 1h38 n ALA 707 Cb 1.41 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 19.88 1h38 n ALA 707 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h38 s ALA 708 N -1.92 2.98 -0.78 0.00 0.00 0.29 -4.66 121.76 117.67 1h38 s ALA 708 Ca 0.34 -0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.31 1h38 s ALA 708 Cb 0.20 -3.11 0.29 0.00 0.00 0.00 0.00 23.12 20.51 1h38 s ALA 708 CO 0.31 -0.79 1.11 -1.91 0.00 0.00 0.00 175.76 174.48 1h38 n GLU 709 N -2.74 3.55 -1.69 0.00 2.13 -1.26 -3.50 120.64 117.13 1h38 n GLU 709 Ca 0.06 -4.70 -0.43 0.00 0.66 0.00 0.00 57.16 52.76 1h38 n GLU 709 Cb 0.54 -2.34 -0.03 0.00 0.27 0.00 0.00 31.44 29.88 1h38 n GLU 709 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1h38 n VAL 710 N 0.56 0.29 -4.24 6.31 3.14 -1.16 -4.93 118.33 118.31 1h38 n VAL 710 Ca 0.32 -0.05 -0.13 0.00 -2.96 0.00 0.00 64.34 61.51 1h38 n VAL 710 Cb 0.37 -2.07 -0.10 0.00 -1.06 0.00 0.00 33.84 30.97 1h38 n VAL 710 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1h38 s LYS 711 N 2.39 1.24 -0.42 1.45 1.02 -1.26 -1.74 119.74 122.41 1h38 s LYS 711 Ca 0.81 -1.65 -0.16 0.00 0.02 0.00 0.00 55.97 54.99 1h38 s LYS 711 Cb -0.50 0.05 0.02 0.00 -0.52 0.00 0.00 37.83 36.89 1h38 s LYS 711 CO 0.37 -0.33 0.37 0.34 -0.92 0.00 0.00 175.35 175.18 1h38 s ASP 712 N -3.20 6.15 -0.99 2.83 2.15 -0.71 -4.90 116.67 118.01 1h38 s ASP 712 Ca 0.36 -0.82 -0.08 0.00 0.43 0.00 0.00 52.55 52.44 1h38 s ASP 712 Cb 0.07 -2.19 -0.13 0.00 -0.30 0.00 0.00 42.92 40.37 1h38 s ASP 712 CO 0.11 -0.53 2.90 1.17 -0.17 0.00 0.00 175.17 178.65 1h38 n LYS 713 N 5.38 2.79 0.00 4.34 3.00 -1.26 0.54 118.16 132.95 1h38 n LYS 713 Ca -0.09 -1.65 0.00 0.00 -0.00 0.00 0.00 58.31 56.57 1h38 n LYS 713 Cb 0.47 -2.47 0.00 0.00 0.00 0.00 0.00 35.03 33.03 1h38 n LYS 713 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1h38 n LYS 714 N 3.38 0.00 0.00 1.64 4.76 -1.26 -4.83 118.16 121.85 1h38 n LYS 714 Ca 0.60 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.04 1h38 n LYS 714 Cb 0.39 -0.06 0.00 0.00 -1.84 0.00 0.00 35.03 33.53 1h38 n LYS 714 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1h38 n THR 715 N 0.00 0.00 -1.37 -0.18 -1.04 -0.42 -5.00 114.28 106.26 1h38 n THR 715 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1h38 n THR 715 Cb 0.06 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.51 1h38 n THR 715 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1h38 n GLY 716 N 0.08 1.34 3.78 3.41 0.00 0.19 -4.96 105.19 109.03 1h38 n GLY 716 Ca 0.00 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 1h38 n GLY 716 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h38 s GLU 717 N -3.01 4.49 -0.55 1.61 2.12 -1.23 -4.85 118.70 117.28 1h38 s GLU 717 Ca 0.00 1.06 -0.28 0.00 0.36 0.00 0.00 54.97 56.10 1h38 s GLU 717 Cb 0.00 -3.28 0.03 0.00 0.26 0.00 0.00 34.13 31.14 1h38 s GLU 717 CO 0.00 0.52 1.23 0.42 -0.54 0.00 0.00 175.26 176.89 1h38 s ILE 718 N -0.90 4.01 0.07 -3.70 1.01 -1.26 -1.74 121.20 118.69 1h38 s ILE 718 Ca 0.35 0.93 0.04 0.00 0.00 0.00 0.00 60.65 61.97 1h38 s ILE 718 Cb -0.22 -4.63 -0.24 0.00 0.01 0.00 0.00 42.46 37.39 1h38 s ILE 718 CO 0.24 -1.22 1.09 -0.07 0.00 0.00 0.00 174.94 174.99 1h38 h LEU 719 N 12.00 0.14 -7.18 2.97 4.07 -1.69 -3.45 115.31 122.18 1h38 h LEU 719 Ca -0.25 -0.17 -0.22 0.00 0.08 0.00 0.00 57.88 57.32 1h38 h LEU 719 Cb 1.07 -0.04 -0.33 0.00 1.08 0.00 0.00 40.66 42.43 1h38 h LEU 719 CO 1.17 1.14 -0.54 -0.60 -1.08 0.00 0.00 178.44 178.53 1h38 s ARG 720 N -2.67 0.15 0.88 1.13 3.52 -1.05 -5.06 118.95 115.85 1h38 s ARG 720 Ca -0.02 0.72 -0.11 0.00 -0.13 0.00 0.00 55.73 56.18 1h38 s ARG 720 Cb 0.09 -0.09 0.12 0.00 -1.56 0.00 0.00 34.95 33.50 1h38 s ARG 720 CO 0.84 -0.31 1.09 0.21 -0.81 0.00 0.00 175.30 176.32 1h38 s LYS 721 N 2.42 1.42 -0.13 5.12 2.20 -1.26 -2.97 119.74 126.53 1h38 s LYS 721 Ca 0.02 0.80 -0.29 0.00 -0.36 0.00 0.00 55.97 56.14 1h38 s LYS 721 Cb -0.12 -1.83 -0.05 0.00 -1.51 0.00 0.00 37.83 34.32 1h38 s LYS 721 CO -0.09 -2.13 1.79 1.03 -0.36 0.00 0.00 175.35 175.59 1h38 s ARG 722 N -4.97 3.85 0.10 4.03 0.52 -1.23 -4.83 118.95 116.43 1h38 s ARG 722 Ca 0.63 2.03 -0.02 0.00 -0.52 0.00 0.00 55.73 57.84 1h38 s ARG 722 Cb -0.17 -4.10 -0.05 0.00 0.52 0.00 0.00 34.95 31.15 1h38 s ARG 722 CO 0.56 -1.25 0.30 0.00 0.02 0.00 0.00 175.30 174.93 1h38 s ALA 724 N -1.59 2.44 -0.14 0.00 0.00 -1.26 -3.79 121.76 117.42 1h38 s ALA 724 Ca 0.38 -0.98 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 1h38 s ALA 724 Cb -0.13 -2.84 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 1h38 s ALA 724 CO 0.26 -2.10 -0.14 0.08 0.00 0.00 0.00 175.76 173.86 1h38 s VAL 725 N -3.75 2.92 0.07 0.00 1.01 -0.74 -4.94 120.40 114.98 1h38 s VAL 725 Ca 0.69 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 62.04 1h38 s VAL 725 Cb -0.07 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 1h38 s VAL 725 CO 0.51 0.52 -0.20 -2.28 0.00 0.00 0.00 175.10 173.65 1h38 s HIS 726 N 0.52 1.71 0.35 5.22 5.04 -1.26 -0.33 115.29 126.55 1h38 s HIS 726 Ca -0.09 -0.40 -0.15 0.00 -1.54 0.00 0.00 55.06 52.88 1h38 s HIS 726 Cb -0.16 -0.98 0.04 0.00 0.04 0.00 0.00 32.58 31.52 1h38 s HIS 726 CO 0.04 0.14 0.72 1.67 -2.34 0.00 0.00 174.74 174.97 1h38 s TRP 727 N -1.00 0.17 -0.03 3.88 -2.14 -0.85 -4.74 118.94 114.22 1h38 s TRP 727 Ca 0.06 -0.73 -0.01 0.00 2.66 0.00 0.00 56.10 58.08 1h38 s TRP 727 Cb -0.09 0.67 0.03 0.00 -3.10 0.00 0.00 33.47 30.98 1h38 s TRP 727 CO 0.03 -1.41 0.03 0.08 -2.66 0.00 0.00 176.95 173.02 1h38 s VAL 728 N -2.87 0.02 0.72 -0.66 1.01 -1.26 -1.51 120.40 115.85 1h38 s VAL 728 Ca 0.16 0.25 -0.14 0.00 0.00 0.00 0.00 61.98 62.26 1h38 s VAL 728 Cb -0.05 -0.20 0.03 0.00 0.00 0.00 0.00 36.38 36.17 1h38 s VAL 728 CO 0.11 0.15 1.15 0.42 0.00 0.00 0.00 175.10 176.94 1h38 s THR 729 N 1.54 2.73 0.48 3.92 -4.23 0.13 -4.87 115.64 115.35 1h38 s THR 729 Ca -0.03 0.33 0.32 0.00 -1.18 0.00 0.00 61.69 61.13 1h38 s THR 729 Cb -0.13 -2.83 0.52 0.00 1.34 0.00 0.00 72.50 71.40 1h38 s THR 729 CO -0.03 -0.22 1.73 -0.65 -0.54 0.00 0.00 174.62 174.92 1h38 h PRO 730 N -0.36 0.12 -0.65 3.99 0.11 -1.93 0.15 132.00 133.44 1h38 h PRO 730 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1h38 h PRO 730 Cb 1.27 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1h38 h PRO 730 CO 0.51 0.08 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 1h38 n ASP 731 N -4.37 4.81 0.00 -2.05 5.75 -1.26 -4.91 116.55 114.51 1h38 n ASP 731 Ca 0.30 -2.70 0.00 0.00 -0.01 0.00 0.00 54.79 52.38 1h38 n ASP 731 Cb 1.27 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 1h38 n ASP 731 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h38 n GLY 732 N 0.63 0.35 3.68 6.12 0.00 0.53 -4.23 105.19 112.27 1h38 n GLY 732 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1h38 n GLY 732 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1h38 s PHE 733 N -2.12 3.22 0.07 1.61 5.36 -1.24 -4.76 117.98 120.11 1h38 s PHE 733 Ca 0.00 1.30 -0.14 0.00 -0.96 0.00 0.00 56.93 57.13 1h38 s PHE 733 Cb 0.00 -3.36 -0.06 0.00 -0.34 0.00 0.00 43.02 39.26 1h38 s PHE 733 CO 0.00 -1.02 0.46 -1.25 -1.46 0.00 0.00 175.22 171.95 1h38 s PRO 734 N 2.57 3.91 0.01 10.12 0.04 -1.26 0.19 135.00 150.57 1h38 s PRO 734 Ca 0.52 0.39 0.03 0.00 0.04 0.00 0.00 61.00 61.99 1h38 s PRO 734 Cb -0.21 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 1h38 s PRO 734 CO 0.17 0.59 -0.10 0.54 0.04 0.00 0.00 177.00 178.24 1h38 s VAL 735 N -1.28 0.80 -0.24 -0.36 0.11 -0.57 -4.97 120.40 113.89 1h38 s VAL 735 Ca 0.31 -0.59 0.02 0.00 -2.93 0.00 0.00 61.98 58.78 1h38 s VAL 735 Cb -0.16 -0.70 0.06 0.00 -1.53 0.00 0.00 36.38 34.05 1h38 s VAL 735 CO 0.17 0.11 -0.09 0.26 -3.33 0.00 0.00 175.10 172.22 1h38 s TRP 736 N -0.46 2.80 -0.40 1.54 0.51 -1.26 -2.02 118.94 119.66 1h38 s TRP 736 Ca 0.02 -1.98 -0.21 0.00 -2.12 0.00 0.00 56.10 51.81 1h38 s TRP 736 Cb -0.05 -1.76 0.01 0.00 -0.81 0.00 0.00 33.47 30.87 1h38 s TRP 736 CO 0.00 -0.82 0.67 -1.14 -0.51 0.00 0.00 176.95 175.16 1h38 s GLN 737 N 1.26 3.53 -0.43 4.98 0.74 0.56 -4.95 119.66 125.35 1h38 s GLN 737 Ca -0.06 -0.07 0.09 0.00 0.05 0.00 0.00 55.36 55.36 1h38 s GLN 737 Cb -0.19 -3.87 0.28 0.00 1.10 0.00 0.00 33.01 30.34 1h38 s GLN 737 CO -0.06 -0.89 0.63 -1.91 -0.55 0.00 0.00 175.29 172.52 1h38 n GLU 738 N 6.25 1.16 -2.18 1.67 2.13 -1.26 -1.79 120.64 126.62 1h38 n GLU 738 Ca -0.00 -3.54 -0.43 0.00 0.66 0.00 0.00 57.16 53.85 1h38 n GLU 738 Cb 0.48 -1.54 -0.02 0.00 0.27 0.00 0.00 31.44 30.63 1h38 n GLU 738 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1h38 s TYR 739 N -1.84 2.23 -0.01 4.31 2.02 -1.26 -4.93 117.35 117.87 1h38 s TYR 739 Ca 0.38 0.60 -0.01 0.00 -0.37 0.00 0.00 57.07 57.67 1h38 s TYR 739 Cb 0.23 -3.94 -0.04 0.00 -0.40 0.00 0.00 41.96 37.80 1h38 s TYR 739 CO -0.09 -2.71 0.11 0.15 -1.57 0.00 0.00 175.55 171.44 1h38 s LYS 740 N 4.50 3.19 -0.12 -0.62 1.02 -1.26 0.22 119.74 126.66 1h38 s LYS 740 Ca 0.68 -0.42 -0.01 0.00 0.02 0.00 0.00 55.97 56.24 1h38 s LYS 740 Cb -0.24 -2.94 -0.02 0.00 -0.52 0.00 0.00 37.83 34.11 1h38 s LYS 740 CO 0.27 0.66 -0.10 0.21 -0.92 0.00 0.00 175.35 175.48 1h38 s LYS 741 N -1.77 3.31 0.53 1.68 2.20 0.37 -4.67 119.74 121.39 1h38 s LYS 741 Ca 0.24 -0.62 -0.18 0.00 -0.36 0.00 0.00 55.97 55.05 1h38 s LYS 741 Cb -0.12 -2.69 -0.07 0.00 -1.51 0.00 0.00 37.83 33.45 1h38 s LYS 741 CO 0.15 0.32 1.03 -2.14 -0.36 0.00 0.00 175.35 174.35 1h38 s PRO 742 N 0.10 3.66 0.00 4.03 0.02 -1.26 -1.31 135.00 140.24 1h38 s PRO 742 Ca -0.04 1.21 0.21 0.00 0.02 0.00 0.00 61.00 62.39 1h38 s PRO 742 Cb -0.14 -2.08 0.53 0.00 0.02 0.00 0.00 34.50 32.83 1h38 s PRO 742 CO 0.04 -0.53 1.44 -0.89 -0.33 0.00 0.00 177.00 176.73 1h38 n ILE 743 N -1.49 0.52 -1.88 2.83 5.41 -1.20 -4.90 119.36 118.65 1h38 n ILE 743 Ca 0.08 -0.65 -0.27 0.00 1.00 0.00 0.00 62.75 62.91 1h38 n ILE 743 Cb 0.53 0.61 0.19 0.00 -0.71 0.00 0.00 39.64 40.26 1h38 n ILE 743 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1h38 n GLN 744 N 1.08 -1.20 0.00 0.38 6.02 -1.26 -5.12 117.38 117.29 1h38 n GLN 744 Ca 0.18 -1.94 0.00 0.00 -0.01 0.00 0.00 57.00 55.24 1h38 n GLN 744 Cb 0.49 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.48 1h38 n GLN 744 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1h38 n THR 745 N -3.71 0.00 -2.73 5.09 -1.04 -1.26 -5.10 114.28 105.53 1h38 n THR 745 Ca 0.16 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.11 1h38 n THR 745 Cb 0.54 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.09 1h38 n THR 745 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1h38 n ARG 746 N 0.00 0.51 -3.10 -2.82 1.74 -1.26 -4.93 116.66 106.80 1h38 n ARG 746 Ca 0.00 -1.61 -0.42 0.00 -0.77 0.00 0.00 57.85 55.05 1h38 n ARG 746 Cb 0.00 -1.11 -0.06 0.00 -1.02 0.00 0.00 32.46 30.27 1h38 n ARG 746 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1h38 s LEU 747 N 0.24 4.23 0.36 0.55 2.96 -1.26 -2.70 118.68 123.07 1h38 s LEU 747 Ca 0.29 0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 54.38 1h38 s LEU 747 Cb 0.12 -2.81 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 1h38 s LEU 747 CO -0.13 -0.59 0.59 0.21 -1.32 0.00 0.00 176.35 175.11 1h38 s ASN 748 N 1.78 6.31 0.00 3.68 2.47 -1.25 -4.96 114.94 122.97 1h38 s ASN 748 Ca 0.25 0.57 0.00 0.00 0.42 0.00 0.00 52.86 54.10 1h38 s ASN 748 Cb -0.14 -2.09 0.00 0.00 -1.45 0.00 0.00 41.25 37.57 1h38 s ASN 748 CO 0.15 -0.33 0.00 0.18 -3.72 0.00 0.00 177.10 173.37 1h38 n LEU 749 N -1.76 1.59 -0.73 3.21 7.99 -1.26 -4.70 117.00 121.35 1h38 n LEU 749 Ca -0.03 0.06 0.07 0.00 -0.01 0.00 0.00 56.01 56.10 1h38 n LEU 749 Cb 0.56 -0.09 0.14 0.00 -0.11 0.00 0.00 43.42 43.91 1h38 n LEU 749 CO 0.49 -0.09 0.59 0.23 -1.51 0.00 0.00 177.39 177.10 1h38 n MET 750 N -1.09 2.02 0.00 3.23 2.81 -1.26 -4.75 117.12 118.08 1h38 n MET 750 Ca 0.00 -1.84 0.00 0.00 -1.81 0.00 0.00 57.70 54.05 1h38 n MET 750 Cb 0.00 -1.32 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 1h38 n MET 750 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1h38 n PHE 751 N 0.83 0.00 0.00 2.03 3.01 -1.26 -4.73 117.46 117.34 1h38 n PHE 751 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.58 1h38 n PHE 751 Cb 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 1h38 n PHE 751 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1h38 n LEU 752 N -2.37 0.00 0.00 4.37 4.32 -1.26 -5.06 117.00 117.00 1h38 n LEU 752 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1h38 n LEU 752 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1h38 n LEU 752 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 1h38 n GLY 753 N 0.00 0.98 0.00 -0.72 0.00 -1.26 -3.86 105.19 100.33 1h38 n GLY 753 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1h38 n GLY 753 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h38 n GLN 754 N 0.00 0.00 -0.22 1.61 1.13 -1.10 -4.61 117.38 114.19 1h38 n GLN 754 Ca 0.00 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.98 1h38 n GLN 754 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.36 1h38 n GLN 754 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59 1h38 n PHE 755 N 0.00 -0.92 0.00 1.08 -1.74 -1.26 -4.29 117.46 110.32 1h38 n PHE 755 Ca 0.00 0.03 0.00 0.00 -0.56 0.00 0.00 57.45 56.92 1h38 n PHE 755 Cb 0.00 -0.31 0.00 0.00 1.52 0.00 0.00 39.48 40.69 1h38 n PHE 755 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 1h38 n ARG 756 N 0.45 0.00 -0.45 3.97 0.63 -1.26 -4.84 116.66 115.16 1h38 n ARG 756 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1h38 n ARG 756 Cb 0.11 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.02 1h38 n ARG 756 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1h38 n ASP 766 N -1.08 0.00 -3.91 6.15 -0.08 -1.26 -5.04 116.55 111.33 1h38 n ASP 766 Ca 0.00 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.18 1h38 n ASP 766 Cb 0.00 -0.67 -0.09 0.00 2.34 0.00 0.00 41.12 42.69 1h38 n ASP 766 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1h38 s SER 767 N -1.68 0.14 0.13 1.67 1.04 -1.26 -3.22 113.70 110.52 1h38 s SER 767 Ca 0.00 -0.46 0.06 0.00 0.48 0.00 0.00 55.95 56.04 1h38 s SER 767 Cb 0.00 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 1h38 s SER 767 CO 0.00 -0.48 -0.14 -1.83 0.98 0.00 0.00 173.24 171.77 1h38 s GLU 768 N -2.32 1.05 0.17 4.02 -1.05 -0.43 -4.88 118.70 115.27 1h38 s GLU 768 Ca -0.07 -1.26 -0.33 0.00 -0.15 0.00 0.00 54.97 53.16 1h38 s GLU 768 Cb -0.03 -0.95 -0.15 0.00 -0.44 0.00 0.00 34.13 32.56 1h38 s GLU 768 CO -0.03 0.18 1.21 -0.89 0.95 0.00 0.00 175.26 176.68 1h38 n ILE 769 N 0.51 0.80 -2.94 1.83 -0.00 -1.26 0.14 119.36 118.43 1h38 n ILE 769 Ca -0.15 -0.20 -0.44 0.00 -0.00 0.00 0.00 62.75 61.96 1h38 n ILE 769 Cb 0.57 -0.92 -0.04 0.00 -0.00 0.00 0.00 39.64 39.25 1h38 n ILE 769 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1h38 s ASP 770 N 0.09 6.30 0.25 4.38 -1.08 0.58 -4.59 116.67 122.60 1h38 s ASP 770 Ca 0.74 -1.39 -0.04 0.00 -0.52 0.00 0.00 52.55 51.33 1h38 s ASP 770 Cb -0.84 -2.38 0.48 0.00 -1.46 0.00 0.00 42.92 38.72 1h38 s ASP 770 CO 0.51 -1.26 1.68 0.00 0.52 0.00 0.00 175.17 176.63 1h38 h ALA 771 N 9.26 0.98 0.02 3.66 0.00 -1.84 0.17 119.26 131.51 1h38 h ALA 771 Ca -0.17 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h38 h ALA 771 Cb 1.06 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1h38 h ALA 771 CO 1.14 -0.34 -0.01 0.45 0.00 0.00 0.00 179.25 180.49 1h38 h HIS 772 N 0.27 -0.02 -0.42 0.00 3.86 -1.95 -0.20 115.15 116.69 1h38 h HIS 772 Ca 0.43 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.61 1h38 h HIS 772 Cb 0.73 0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.19 1h38 h HIS 772 CO -0.26 0.25 0.16 0.87 0.86 0.00 0.00 177.93 179.81 1h38 h LYS 773 N -0.29 0.59 -0.43 2.45 1.57 -1.82 0.36 116.57 119.00 1h38 h LYS 773 Ca -0.00 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1h38 h LYS 773 Cb 0.28 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1h38 h LYS 773 CO 0.00 0.50 0.03 0.37 -0.57 0.00 0.00 179.45 179.78 1h38 h GLN 774 N 0.59 0.68 0.00 3.15 5.75 -0.31 -0.72 115.11 124.25 1h38 h GLN 774 Ca 0.14 -0.15 -0.16 0.00 -0.15 0.00 0.00 58.65 58.33 1h38 h GLN 774 Cb 0.13 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 1h38 h GLN 774 CO -0.01 0.68 -0.86 1.49 -2.65 0.00 0.00 178.83 177.48 1h38 h GLU 775 N 0.65 0.00 0.00 1.69 4.81 0.05 -3.17 114.58 118.62 1h38 h GLU 775 Ca 0.14 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 1h38 h GLU 775 Cb 0.36 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1h38 h GLU 775 CO 0.01 0.63 -0.99 0.66 -0.73 0.00 0.00 179.01 178.59 1h38 h SER 776 N 0.00 0.00 -0.02 1.04 4.64 0.08 -3.36 113.55 115.94 1h38 h SER 776 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1h38 h SER 776 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1h38 h SER 776 CO 0.08 0.35 -0.14 0.61 -0.87 0.00 0.00 176.83 176.87 1h38 n GLY 777 N 1.27 0.25 0.21 -0.77 0.00 -0.31 -4.61 105.19 101.23 1h38 n GLY 777 Ca -0.03 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.32 1h38 n GLY 777 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1h38 h ILE 778 N 2.97 0.66 0.60 -0.61 6.09 -1.70 -1.03 117.51 124.49 1h38 h ILE 778 Ca 0.00 -0.04 -0.03 0.00 -1.37 0.00 0.00 64.86 63.42 1h38 h ILE 778 Cb 0.70 0.69 0.01 0.00 0.47 0.00 0.00 36.82 38.68 1h38 h ILE 778 CO 0.00 0.01 -0.29 0.00 -3.07 0.00 0.00 178.15 174.80 1h38 h ALA 779 N 0.16 -0.80 -0.84 0.18 0.00 -1.84 0.16 119.26 116.28 1h38 h ALA 779 Ca -0.05 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.73 1h38 h ALA 779 Cb 0.37 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1h38 h ALA 779 CO 0.08 -0.85 0.51 -1.00 0.00 0.00 0.00 179.25 177.99 1h38 h PRO 780 N -1.00 0.89 -0.66 0.00 0.13 -1.70 -1.51 132.00 128.16 1h38 h PRO 780 Ca -0.08 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.96 1h38 h PRO 780 Cb 0.67 -0.20 -0.03 0.00 0.13 0.00 0.00 31.00 31.57 1h38 h PRO 780 CO 0.13 0.59 0.28 -0.91 -0.23 0.00 0.00 178.00 177.87 1h38 h ASN 781 N 0.92 0.87 0.68 1.44 -0.26 -1.02 -1.55 115.58 116.65 1h38 h ASN 781 Ca 0.37 -0.11 -0.03 0.00 -0.56 0.00 0.00 56.30 55.97 1h38 h ASN 781 Cb 0.21 -0.22 0.01 0.00 -1.06 0.00 0.00 38.32 37.25 1h38 h ASN 781 CO -0.19 0.76 -0.33 0.15 -1.06 0.00 0.00 177.43 176.77 1h38 h PHE 782 N 0.94 -0.84 -0.55 1.19 3.57 0.31 -0.56 116.94 121.00 1h38 h PHE 782 Ca 0.23 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.76 1h38 h PHE 782 Cb 0.15 0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 1h38 h PHE 782 CO 0.01 -0.50 0.26 -0.39 -2.23 0.00 0.00 178.31 175.46 1h38 h VAL 783 N -1.00 0.91 -0.93 1.41 -1.51 -1.33 0.19 116.25 114.00 1h38 h VAL 783 Ca -0.09 -0.17 0.04 0.00 -1.23 0.00 0.00 66.70 65.25 1h38 h VAL 783 Cb 0.72 0.37 -0.05 0.00 -2.13 0.00 0.00 31.29 30.20 1h38 h VAL 783 CO 0.15 0.09 0.61 0.45 -1.23 0.00 0.00 177.57 177.64 1h38 h HIS 784 N 0.50 1.12 -0.36 5.19 3.86 -1.19 0.56 115.15 124.83 1h38 h HIS 784 Ca 0.25 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.43 1h38 h HIS 784 Cb 0.20 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 1h38 h HIS 784 CO -0.12 0.64 -0.03 0.66 0.86 0.00 0.00 177.93 179.94 1h38 h SER 785 N 1.15 0.55 0.08 2.45 4.64 0.42 0.53 113.55 123.38 1h38 h SER 785 Ca 0.38 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1h38 h SER 785 Cb 0.05 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1h38 h SER 785 CO -0.12 0.65 -0.04 -0.61 -0.87 0.00 0.00 176.83 175.84 1h38 h GLN 786 N 0.55 -0.10 0.00 4.77 5.75 0.22 -1.82 115.11 124.48 1h38 h GLN 786 Ca 0.11 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 1h38 h GLN 786 Cb 0.40 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.97 1h38 h GLN 786 CO 0.02 0.25 -0.10 0.38 -2.65 0.00 0.00 178.83 176.72 1h38 h ASP 787 N -0.47 0.00 -0.33 -0.69 3.04 0.20 -1.22 116.42 116.95 1h38 h ASP 787 Ca -0.01 0.00 -0.15 0.00 -3.24 0.00 0.00 57.03 53.63 1h38 h ASP 787 Cb 0.40 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.68 1h38 h ASP 787 CO 0.02 0.10 -0.35 1.23 -2.04 0.00 0.00 179.24 178.21 1h38 h GLY 788 N 0.46 0.94 0.94 7.15 0.00 -0.69 -1.57 103.07 110.30 1h38 h GLY 788 Ca -0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 47.33 46.40 1h38 h GLY 788 CO 0.01 0.83 0.13 0.23 0.00 0.00 0.00 176.54 177.74 1h38 h SER 789 N 0.72 0.31 -0.65 0.19 0.87 -0.37 -2.04 113.55 112.57 1h38 h SER 789 Ca 0.07 -0.10 0.06 0.00 -1.23 0.00 0.00 61.79 60.58 1h38 h SER 789 Cb 0.91 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.74 1h38 h SER 789 CO 0.08 0.33 0.36 -0.74 -0.53 0.00 0.00 176.83 176.33 1h38 h HIS 790 N 0.27 0.66 -0.21 2.24 -0.00 -1.21 0.11 115.15 117.01 1h38 h HIS 790 Ca 0.08 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.48 1h38 h HIS 790 Cb 0.09 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.29 1h38 h HIS 790 CO -0.03 0.32 0.12 1.25 -0.00 0.00 0.00 177.93 179.59 1h38 h LEU 791 N 0.67 0.26 0.11 0.26 6.46 -1.07 -0.37 115.31 121.63 1h38 h LEU 791 Ca 0.29 -0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.99 1h38 h LEU 791 Cb 0.18 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 1h38 h LEU 791 CO -0.18 0.25 -0.08 0.03 -0.62 0.00 0.00 178.44 177.84 1h38 h ARG 792 N 0.25 -0.18 -0.83 1.25 3.08 -0.79 -0.52 114.38 116.64 1h38 h ARG 792 Ca 0.08 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.25 1h38 h ARG 792 Cb 0.04 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.06 1h38 h ARG 792 CO -0.01 -0.12 0.46 0.87 -1.07 0.00 0.00 179.97 180.10 1h38 h LYS 793 N -0.19 0.73 -0.32 0.04 1.57 -0.62 -0.80 116.57 116.98 1h38 h LYS 793 Ca -0.00 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1h38 h LYS 793 Cb 0.17 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1h38 h LYS 793 CO -0.00 0.48 0.14 1.15 -0.57 0.00 0.00 179.45 180.64 1h38 h THR 794 N 0.75 1.17 -0.64 -0.16 2.02 -0.66 0.17 112.91 115.57 1h38 h THR 794 Ca 0.41 -0.52 0.05 0.00 0.77 0.00 0.00 66.41 67.12 1h38 h THR 794 Cb 0.43 0.92 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 1h38 h THR 794 CO -0.27 0.18 0.36 0.58 0.37 0.00 0.00 175.52 176.74 1h38 h VAL 795 N 0.37 0.98 0.16 3.16 2.07 -0.14 0.18 116.25 123.04 1h38 h VAL 795 Ca 0.11 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1h38 h VAL 795 Cb 0.16 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1h38 h VAL 795 CO -0.01 0.12 -0.08 0.58 0.02 0.00 0.00 177.57 178.20 1h38 h VAL 796 N 0.67 0.96 -0.80 2.57 2.07 -0.86 -2.15 116.25 118.70 1h38 h VAL 796 Ca 0.28 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.25 1h38 h VAL 796 Cb 0.15 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1h38 h VAL 796 CO -0.17 0.13 0.51 -0.25 0.02 0.00 0.00 177.57 177.82 1h38 h TRP 797 N -0.50 0.96 0.00 1.57 2.91 -0.42 -0.50 115.95 119.97 1h38 h TRP 797 Ca -0.02 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1h38 h TRP 797 Cb 0.39 -0.32 0.00 0.00 -0.51 0.00 0.00 29.16 28.72 1h38 h TRP 797 CO 0.02 0.55 0.00 0.00 -1.03 0.00 0.00 178.44 177.98 1h38 h ALA 798 N 1.33 1.00 0.00 2.65 0.00 -0.63 0.51 119.26 124.12 1h38 h ALA 798 Ca 0.32 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 55.00 1h38 h ALA 798 Cb 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1h38 h ALA 798 CO -0.11 0.00 -1.63 1.58 0.00 0.00 0.00 179.25 179.09 1h38 n HIS 799 N -2.98 0.88 -0.11 0.00 -0.00 -0.58 -3.02 115.22 109.42 1h38 n HIS 799 Ca 0.02 0.31 -0.24 0.00 -0.00 0.00 0.00 57.72 57.80 1h38 n HIS 799 Cb 0.36 -1.10 -0.11 0.00 -0.00 0.00 0.00 29.99 29.13 1h38 n HIS 799 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1h38 n GLU 800 N -2.92 0.59 0.27 1.57 1.02 -0.30 -4.52 120.64 116.36 1h38 n GLU 800 Ca -0.14 0.46 -0.14 0.00 -0.02 0.00 0.00 57.16 57.32 1h38 n GLU 800 Cb 0.94 -1.67 -0.07 0.00 -0.02 0.00 0.00 31.44 30.61 1h38 n GLU 800 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1h38 h LYS 801 N -0.89 -0.69 -6.39 3.49 3.11 -1.11 -3.44 116.57 110.65 1h38 h LYS 801 Ca -0.45 0.05 -0.45 0.00 -2.81 0.00 0.00 60.65 56.99 1h38 h LYS 801 Cb 1.46 0.16 0.01 0.00 -1.00 0.00 0.00 32.23 32.86 1h38 h LYS 801 CO -0.24 -0.39 -0.30 0.71 -2.81 0.00 0.00 179.45 176.43 1h38 s TYR 802 N -4.72 3.19 -2.00 1.91 2.02 -1.22 -5.00 117.35 111.53 1h38 s TYR 802 Ca -0.14 -0.09 0.21 0.00 -0.37 0.00 0.00 57.07 56.68 1h38 s TYR 802 Cb 0.02 -2.01 1.27 0.00 -0.40 0.00 0.00 41.96 40.84 1h38 s TYR 802 CO 0.48 -0.02 1.79 0.41 -1.57 0.00 0.00 175.55 176.63 1h38 n GLY 803 N -1.71 -0.95 3.55 0.71 0.00 -1.26 -4.07 105.19 101.46 1h38 n GLY 803 Ca -0.01 -0.13 -0.50 0.00 0.00 0.00 0.00 46.02 45.38 1h38 n GLY 803 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1h38 n ILE 804 N -0.85 0.93 -1.23 -0.61 5.41 -1.17 -4.90 119.36 116.95 1h38 n ILE 804 Ca 0.16 -0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.68 1h38 n ILE 804 Cb 0.07 -0.63 0.00 0.00 -0.71 0.00 0.00 39.64 38.37 1h38 n ILE 804 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1h38 n GLU 805 N 1.60 0.00 -3.94 0.38 0.28 -1.26 -4.07 120.64 113.63 1h38 n GLU 805 Ca 0.16 -0.22 -0.28 0.00 -0.16 0.00 0.00 57.16 56.65 1h38 n GLU 805 Cb 0.23 -0.38 -0.17 0.00 1.43 0.00 0.00 31.44 32.54 1h38 n GLU 805 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1h38 s SER 806 N 0.00 2.58 0.05 -1.84 0.01 -1.26 -4.48 113.70 108.76 1h38 s SER 806 Ca 0.00 -0.49 0.06 0.00 1.31 0.00 0.00 55.95 56.84 1h38 s SER 806 Cb 0.00 -0.99 -0.03 0.00 0.21 0.00 0.00 66.02 65.21 1h38 s SER 806 CO 0.00 -0.12 -0.17 -0.36 0.41 0.00 0.00 173.24 173.00 1h38 s PHE 807 N 1.60 1.47 -0.32 2.43 0.40 -1.26 -4.39 117.98 117.91 1h38 s PHE 807 Ca 0.04 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 55.99 1h38 s PHE 807 Cb -0.13 -0.86 0.08 0.00 0.51 0.00 0.00 43.02 42.61 1h38 s PHE 807 CO -0.09 0.08 0.02 0.00 0.70 0.00 0.00 175.22 175.93 1h38 s ALA 808 N -0.93 2.83 -0.06 5.36 0.00 -0.20 -4.90 121.76 123.86 1h38 s ALA 808 Ca 0.03 -2.11 0.05 0.00 0.00 0.00 0.00 51.96 49.94 1h38 s ALA 808 Cb -0.09 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.08 1h38 s ALA 808 CO 0.02 -1.46 -0.23 -0.51 0.00 0.00 0.00 175.76 173.58 1h38 s LEU 809 N 1.10 2.17 -0.39 0.00 1.43 -1.26 -0.53 118.68 121.21 1h38 s LEU 809 Ca 0.01 -0.47 0.10 0.00 -1.03 0.00 0.00 54.13 52.74 1h38 s LEU 809 Cb -0.20 -1.41 0.32 0.00 0.03 0.00 0.00 46.19 44.93 1h38 s LEU 809 CO -0.05 0.25 0.72 -0.38 0.23 0.00 0.00 176.35 177.12 1h38 n ILE 810 N 2.93 -0.28 0.00 -0.59 5.41 -0.32 -4.72 119.36 121.78 1h38 n ILE 810 Ca -0.17 -4.07 0.00 0.00 1.00 0.00 0.00 62.75 59.51 1h38 n ILE 810 Cb 0.52 -0.47 0.00 0.00 -0.71 0.00 0.00 39.64 38.98 1h38 n ILE 810 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1h38 n HIS 811 N 0.62 0.00 -1.69 1.39 8.25 -1.26 -2.58 115.22 119.94 1h38 n HIS 811 Ca 0.22 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.74 1h38 n HIS 811 Cb 0.63 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.86 1h38 n HIS 811 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1h38 n ASP 812 N 1.08 1.48 -3.88 0.41 5.75 -1.26 -4.78 116.55 115.35 1h38 n ASP 812 Ca 0.00 -2.99 -0.23 0.00 -0.01 0.00 0.00 54.79 51.56 1h38 n ASP 812 Cb 0.00 -0.40 -0.17 0.00 -1.03 0.00 0.00 41.12 39.52 1h38 n ASP 812 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1h38 s SER 813 N -2.53 1.51 -0.03 -1.12 0.15 -1.07 -1.31 113.70 109.30 1h38 s SER 813 Ca 0.29 -0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.83 1h38 s SER 813 Cb 0.29 -0.58 -0.01 0.00 -1.71 0.00 0.00 66.02 64.00 1h38 s SER 813 CO -0.05 -0.10 -0.22 -0.36 1.20 0.00 0.00 173.24 173.71 1h38 s PHE 814 N 1.37 2.03 0.11 3.44 0.40 -0.75 -1.18 117.98 123.41 1h38 s PHE 814 Ca -0.03 -0.45 -0.08 0.00 -0.60 0.00 0.00 56.93 55.76 1h38 s PHE 814 Cb -0.13 -1.32 -0.01 0.00 0.51 0.00 0.00 43.02 42.06 1h38 s PHE 814 CO -0.03 -0.09 0.20 0.20 0.70 0.00 0.00 175.22 176.21 1h38 s GLY 815 N -0.38 0.30 0.33 4.36 0.00 0.31 0.09 107.32 112.34 1h38 s GLY 815 Ca 0.05 -0.80 -0.12 0.00 0.00 0.00 0.00 44.72 43.84 1h38 s GLY 815 CO 0.00 -0.88 0.67 2.41 0.00 0.00 0.00 173.10 175.30 1h38 n THR 816 N -0.10 0.00 -1.82 0.90 -1.04 -1.10 -1.03 114.28 110.08 1h38 n THR 816 Ca -0.12 -0.84 -0.34 0.00 -2.04 0.00 0.00 64.05 60.72 1h38 n THR 816 Cb 0.63 0.83 0.05 0.00 -1.82 0.00 0.00 70.33 70.02 1h38 n THR 816 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1h38 s ILE 817 N -2.24 2.98 0.19 12.58 -4.36 -1.26 -0.99 121.20 128.09 1h38 s ILE 817 Ca 0.13 0.50 -0.21 0.00 -0.26 0.00 0.00 60.65 60.82 1h38 s ILE 817 Cb -0.04 -3.07 0.13 0.00 1.25 0.00 0.00 42.46 40.74 1h38 s ILE 817 CO 0.10 -0.23 1.58 -0.65 0.24 0.00 0.00 174.94 175.98 1h38 h PRO 818 N 0.29 -0.14 -0.44 0.37 0.11 -1.83 0.46 132.00 130.82 1h38 h PRO 818 Ca -0.48 0.01 0.13 0.00 0.11 0.00 0.00 66.00 65.77 1h38 h PRO 818 Cb 1.26 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 1h38 h PRO 818 CO 0.54 -0.09 0.50 0.00 -0.21 0.00 0.00 178.00 178.74 1h38 h ALA 819 N 1.03 2.15 -0.01 -0.75 0.00 -1.84 -0.59 119.26 119.24 1h38 h ALA 819 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1h38 h ALA 819 Cb 0.56 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1h38 h ALA 819 CO -0.72 -0.73 -0.09 -0.25 0.00 0.00 0.00 179.25 177.46 1h38 n ASP 820 N -3.64 1.92 -0.07 0.00 8.00 0.07 -4.64 116.55 118.20 1h38 n ASP 820 Ca 0.08 -1.46 -0.07 0.00 0.71 0.00 0.00 54.79 54.05 1h38 n ASP 820 Cb 0.68 0.16 -0.01 0.00 -0.02 0.00 0.00 41.12 41.93 1h38 n ASP 820 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h38 h ALA 821 N 2.60 0.20 -1.01 2.24 0.00 -0.20 -2.07 119.26 121.03 1h38 h ALA 821 Ca 0.00 0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.16 1h38 h ALA 821 Cb 0.54 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.39 1h38 h ALA 821 CO 0.00 -0.44 0.62 0.00 0.00 0.00 0.00 179.25 179.43 1h38 h ALA 822 N 1.24 1.60 -0.16 0.00 0.00 -1.82 -0.24 119.26 119.89 1h38 h ALA 822 Ca 0.13 0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 1h38 h ALA 822 Cb 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1h38 h ALA 822 CO -0.24 0.07 -0.69 -0.91 0.00 0.00 0.00 179.25 177.48 1h38 h ASN 823 N 0.87 0.76 -0.31 0.00 -0.26 -1.75 -2.98 115.58 111.91 1h38 h ASN 823 Ca 0.55 -0.47 -0.11 0.00 -0.56 0.00 0.00 56.30 55.71 1h38 h ASN 823 Cb 0.72 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.74 1h38 h ASN 823 CO -0.33 1.23 -0.19 0.25 -1.06 0.00 0.00 177.43 177.33 1h38 h LEU 824 N 0.46 0.78 -1.00 1.61 5.85 -0.63 0.39 115.31 122.77 1h38 h LEU 824 Ca -0.03 -0.27 0.11 0.00 0.84 0.00 0.00 57.88 58.53 1h38 h LEU 824 Cb 1.29 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 42.02 1h38 h LEU 824 CO 0.13 0.96 0.63 0.15 -0.34 0.00 0.00 178.44 179.98 1h38 h PHE 825 N 0.68 1.15 0.04 1.25 3.04 -1.04 -0.71 116.94 121.36 1h38 h PHE 825 Ca 0.10 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.98 1h38 h PHE 825 Cb 0.70 -0.37 0.01 0.00 2.56 0.00 0.00 35.95 38.85 1h38 h PHE 825 CO 0.04 0.49 -0.44 -0.22 -2.02 0.00 0.00 178.31 176.16 1h38 h LYS 826 N 1.04 0.22 -0.43 1.11 3.64 -1.27 -3.32 116.57 117.56 1h38 h LYS 826 Ca 0.48 -0.30 0.09 0.00 -1.27 0.00 0.00 60.65 59.65 1h38 h LYS 826 Cb 0.40 0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.23 1h38 h LYS 826 CO -0.24 1.07 -0.22 0.00 -2.27 0.00 0.00 179.45 177.79 1h38 h ALA 827 N 0.17 0.08 -0.63 5.00 0.00 0.30 -1.12 119.26 123.05 1h38 h ALA 827 Ca -0.07 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1h38 h ALA 827 Cb 1.25 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 1h38 h ALA 827 CO 0.08 -0.58 0.41 -0.39 0.00 0.00 0.00 179.25 178.78 1h38 h VAL 828 N -0.14 1.11 -0.09 0.00 -1.51 -1.29 -0.25 116.25 114.09 1h38 h VAL 828 Ca 0.20 -0.26 -0.18 0.00 -1.23 0.00 0.00 66.70 65.23 1h38 h VAL 828 Cb 0.45 0.27 0.01 0.00 -2.13 0.00 0.00 31.29 29.89 1h38 h VAL 828 CO -0.51 0.14 -0.64 0.03 -1.23 0.00 0.00 177.57 175.36 1h38 h ARG 829 N 0.77 0.58 -0.28 5.19 3.08 -1.45 -2.23 114.38 120.05 1h38 h ARG 829 Ca 0.24 -0.51 0.01 0.00 0.07 0.00 0.00 59.98 59.79 1h38 h ARG 829 Cb 0.03 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1h38 h ARG 829 CO -0.06 1.14 0.18 0.93 -1.07 0.00 0.00 179.97 181.08 1h38 h GLU 830 N 0.21 0.35 -0.12 0.04 5.08 -0.86 0.23 114.58 119.50 1h38 h GLU 830 Ca -0.06 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1h38 h GLU 830 Cb 1.29 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1h38 h GLU 830 CO 0.13 0.23 -0.11 0.00 -1.00 0.00 0.00 179.01 178.27 1h38 h THR 831 N 0.36 1.15 -0.03 1.13 1.03 -1.08 0.12 112.91 115.60 1h38 h THR 831 Ca 0.11 -0.65 -0.10 0.00 -0.01 0.00 0.00 66.41 65.75 1h38 h THR 831 Cb -0.03 1.18 0.01 0.00 -1.07 0.00 0.00 68.15 68.24 1h38 h THR 831 CO -0.03 0.20 -0.38 -0.03 -0.01 0.00 0.00 175.52 175.27 1h38 h MET 832 N 0.18 0.30 -0.43 0.00 1.85 -0.73 -2.97 114.93 113.13 1h38 h MET 832 Ca 0.04 -0.29 -0.07 0.00 -0.61 0.00 0.00 59.70 58.77 1h38 h MET 832 Cb 0.31 0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.40 1h38 h MET 832 CO 0.02 0.97 0.01 0.28 -0.40 0.00 0.00 176.91 177.79 1h38 h VAL 833 N -0.25 1.26 0.47 -5.77 2.07 -0.21 -3.04 116.25 110.77 1h38 h VAL 833 Ca -0.04 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1h38 h VAL 833 Cb 1.09 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1h38 h VAL 833 CO 0.08 0.35 -0.42 -0.78 0.02 0.00 0.00 177.57 176.82 1h38 h ASP 834 N 0.60 -1.12 -1.00 0.57 1.82 -0.87 -1.90 116.42 114.52 1h38 h ASP 834 Ca 0.12 0.09 0.18 0.00 -0.39 0.00 0.00 57.03 57.03 1h38 h ASP 834 Cb 0.47 0.37 -0.10 0.00 0.68 0.00 0.00 39.33 40.75 1h38 h ASP 834 CO 0.02 -0.59 0.62 0.74 -1.61 0.00 0.00 179.24 178.42 1h38 h THR 835 N -0.89 0.75 0.00 2.25 2.02 -1.53 -0.38 112.91 115.12 1h38 h THR 835 Ca -0.05 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1h38 h THR 835 Cb 0.77 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1h38 h THR 835 CO -0.03 0.14 -0.39 -1.22 0.37 0.00 0.00 175.52 174.39 1h38 n TYR 836 N -4.72 0.39 0.07 3.16 4.01 -1.15 -1.53 117.16 117.39 1h38 n TYR 836 Ca 0.22 0.11 -0.02 0.00 -0.16 0.00 0.00 57.90 58.06 1h38 n TYR 836 Cb 0.54 -0.58 -0.06 0.00 -0.31 0.00 0.00 39.34 38.93 1h38 n TYR 836 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1h38 h GLU 837 N 0.00 0.00 0.00 -0.72 5.08 -0.29 -3.36 114.58 115.29 1h38 h GLU 837 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1h38 h GLU 837 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1h38 h GLU 837 CO 0.00 0.56 -1.64 0.43 -1.00 0.00 0.00 179.01 177.36 1h38 n SER 838 N -3.13 0.30 -4.01 1.42 7.64 -0.43 -4.98 113.62 110.43 1h38 n SER 838 Ca -0.04 -0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.68 1h38 n SER 838 Cb 0.86 1.50 -0.14 0.00 -1.01 0.00 0.00 64.21 65.42 1h38 n SER 838 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h38 n ASP 840 N 2.45 6.05 -0.24 0.00 -0.08 -1.26 -4.60 116.55 118.87 1h38 n ASP 840 Ca -0.16 -3.68 0.22 0.00 -1.51 0.00 0.00 54.79 49.65 1h38 n ASP 840 Cb 0.57 -0.89 0.38 0.00 2.34 0.00 0.00 41.12 43.51 1h38 n ASP 840 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1h38 n VAL 841 N -0.12 -0.19 0.01 5.18 0.24 -1.26 0.11 118.33 122.29 1h38 n VAL 841 Ca 0.39 1.13 -0.13 0.00 -2.04 0.00 0.00 64.34 63.70 1h38 n VAL 841 Cb 0.32 -1.85 -0.09 0.00 -1.47 0.00 0.00 33.84 30.75 1h38 n VAL 841 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1h38 h LEU 842 N 0.00 -0.03 -0.19 1.34 4.07 -1.91 -1.04 115.31 117.54 1h38 h LEU 842 Ca 0.52 -0.38 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 1h38 h LEU 842 Cb 1.54 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 43.28 1h38 h LEU 842 CO -0.36 0.36 0.10 0.00 -1.08 0.00 0.00 178.44 177.47 1h38 h ALA 843 N 0.52 0.25 -0.58 1.53 0.00 0.29 -1.55 119.26 119.73 1h38 h ALA 843 Ca -0.00 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.94 1h38 h ALA 843 Cb 0.41 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1h38 h ALA 843 CO 0.01 -0.20 0.39 -0.44 0.00 0.00 0.00 179.25 179.01 1h38 h ASP 844 N 0.19 0.29 -0.38 0.00 3.32 -1.21 0.35 116.42 118.99 1h38 h ASP 844 Ca 0.07 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 1h38 h ASP 844 Cb 0.11 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1h38 h ASP 844 CO -0.01 0.17 -0.16 0.15 -1.72 0.00 0.00 179.24 177.68 1h38 h PHE 845 N 0.32 0.95 -0.04 4.55 3.57 -0.40 -2.91 116.94 122.98 1h38 h PHE 845 Ca 0.27 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1h38 h PHE 845 Cb 0.63 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 1h38 h PHE 845 CO -0.00 0.94 0.02 -0.92 -2.23 0.00 0.00 178.31 176.12 1h38 h TYR 846 N 0.75 0.06 -0.84 0.41 5.03 0.61 -2.23 116.97 120.76 1h38 h TYR 846 Ca 0.11 -0.00 0.17 0.00 2.58 0.00 0.00 58.73 61.60 1h38 h TYR 846 Cb 0.67 -0.02 -0.11 0.00 1.55 0.00 0.00 36.73 38.83 1h38 h TYR 846 CO 0.04 0.16 0.36 -0.44 -1.32 0.00 0.00 178.16 176.96 1h38 h ASP 847 N -0.06 0.35 -0.41 -2.11 3.32 -1.23 0.59 116.42 116.87 1h38 h ASP 847 Ca 0.01 0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.26 1h38 h ASP 847 Cb 0.12 0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.70 1h38 h ASP 847 CO -0.00 0.09 0.01 1.56 -1.72 0.00 0.00 179.24 179.17 1h38 h GLN 848 N 0.47 0.11 0.00 3.56 1.08 -1.21 -3.22 115.11 115.90 1h38 h GLN 848 Ca 0.48 -0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 57.53 1h38 h GLN 848 Cb 0.80 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.18 1h38 h GLN 848 CO -0.45 0.07 -2.15 1.97 -0.95 0.00 0.00 178.83 177.33 1h38 n PHE 849 N -5.19 0.01 -0.16 2.96 -1.74 -0.65 -4.62 117.46 108.07 1h38 n PHE 849 Ca 0.03 0.00 -0.04 0.00 -0.56 0.00 0.00 57.45 56.88 1h38 n PHE 849 Cb 0.21 -0.70 -0.04 0.00 1.52 0.00 0.00 39.48 40.48 1h38 n PHE 849 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1h38 n ALA 850 N -2.45 -0.24 0.04 1.98 0.00 0.20 0.67 120.51 120.71 1h38 n ALA 850 Ca -0.15 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1h38 n ALA 850 Cb 0.80 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.29 1h38 n ALA 850 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1h38 n ASP 851 N -3.97 2.95 0.00 0.00 5.75 -1.26 -2.04 116.55 117.98 1h38 n ASP 851 Ca 0.01 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 1h38 n ASP 851 Cb 0.10 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 1h38 n ASP 851 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1h38 n GLN 852 N 1.29 -0.01 -2.91 0.11 6.02 0.21 -5.03 117.38 117.07 1h38 n GLN 852 Ca 0.00 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.55 1h38 n GLN 852 Cb 0.33 -0.48 -0.05 0.00 1.02 0.00 0.00 30.24 31.07 1h38 n GLN 852 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1h38 s LEU 853 N -0.00 4.10 0.84 1.08 1.43 -0.86 -4.95 118.68 120.31 1h38 s LEU 853 Ca 0.00 0.31 -0.15 0.00 -1.03 0.00 0.00 54.13 53.26 1h38 s LEU 853 Cb 0.00 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.10 1h38 s LEU 853 CO 0.00 -0.82 0.22 1.57 0.23 0.00 0.00 176.35 177.55 1h38 n HIS 854 N 6.62 -1.90 -0.31 0.29 -0.00 -1.26 -4.80 115.22 113.86 1h38 n HIS 854 Ca 0.04 0.25 0.16 0.00 -0.00 0.00 0.00 57.72 58.17 1h38 n HIS 854 Cb 0.48 -1.77 0.34 0.00 -0.00 0.00 0.00 29.99 29.04 1h38 n HIS 854 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 1h38 h GLU 855 N -0.89 0.23 0.00 1.57 4.81 -1.99 -1.88 114.58 116.44 1h38 h GLU 855 Ca -0.44 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1h38 h GLU 855 Cb 1.32 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1h38 h GLU 855 CO 0.36 0.15 0.00 0.66 -0.73 0.00 0.00 179.01 179.46 1h38 h SER 856 N 0.24 0.00 -0.52 1.04 4.64 -2.03 -3.25 113.55 113.66 1h38 h SER 856 Ca 0.60 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.85 1h38 h SER 856 Cb 1.26 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.31 1h38 h SER 856 CO -0.65 0.00 0.07 0.00 -0.87 0.00 0.00 176.83 175.38 1h38 n GLN 857 N -2.81 3.88 -0.05 4.77 10.64 -0.70 -4.53 117.38 128.57 1h38 n GLN 857 Ca 0.03 -3.06 0.00 0.00 -1.83 0.00 0.00 57.00 52.14 1h38 n GLN 857 Cb 0.39 -2.12 0.02 0.00 -0.86 0.00 0.00 30.24 27.68 1h38 n GLN 857 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1h38 n LEU 858 N -0.00 1.08 0.00 2.61 4.77 -1.23 -3.81 117.00 120.42 1h38 n LEU 858 Ca 0.30 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1h38 n LEU 858 Cb 1.16 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1h38 n LEU 858 CO 0.30 0.23 -0.25 -0.90 -1.33 0.00 0.00 177.39 175.44 1h38 n ASP 859 N -0.04 2.16 0.00 -1.43 5.75 -1.26 -4.71 116.55 117.01 1h38 n ASP 859 Ca 0.02 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 54.85 1h38 n ASP 859 Cb 0.25 0.09 0.31 0.00 -1.03 0.00 0.00 41.12 40.74 1h38 n ASP 859 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1h38 n LYS 860 N -1.72 0.68 -2.89 0.11 0.00 -1.25 -4.49 118.16 108.60 1h38 n LYS 860 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 58.31 57.88 1h38 n LYS 860 Cb 0.25 -1.24 -0.03 0.00 0.00 0.00 0.00 35.03 34.01 1h38 n LYS 860 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 1h38 s MET 861 N -2.00 3.43 0.60 1.64 1.75 -1.26 -5.02 119.30 118.44 1h38 s MET 861 Ca 0.15 -1.43 -0.18 0.00 -1.25 0.00 0.00 55.69 52.98 1h38 s MET 861 Cb 0.07 -4.71 -0.08 0.00 2.84 0.00 0.00 34.83 32.95 1h38 s MET 861 CO 0.12 -1.80 0.53 -0.35 -0.65 0.00 0.00 175.02 172.87 1h38 n PRO 862 N 7.01 0.48 -1.38 4.11 -0.04 -1.26 -4.94 135.00 138.98 1h38 n PRO 862 Ca 0.15 0.19 -0.31 0.00 -0.04 0.00 0.00 63.50 63.49 1h38 n PRO 862 Cb 0.48 -1.73 0.08 0.00 -0.04 0.00 0.00 33.50 32.28 1h38 n PRO 862 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h38 s ALA 863 N -1.74 2.42 0.09 0.55 0.00 -1.26 -4.93 121.76 116.88 1h38 s ALA 863 Ca 0.68 0.21 -0.31 0.00 0.00 0.00 0.00 51.96 52.54 1h38 s ALA 863 Cb -0.43 -3.24 -0.09 0.00 0.00 0.00 0.00 23.12 19.37 1h38 s ALA 863 CO 0.55 -1.56 1.71 -0.51 0.00 0.00 0.00 175.76 175.95 1h38 s LEU 864 N -5.76 4.38 0.47 0.00 1.02 -1.26 -4.91 118.68 112.61 1h38 s LEU 864 Ca 0.60 2.58 -0.22 0.00 0.02 0.00 0.00 54.13 57.12 1h38 s LEU 864 Cb -0.16 -3.56 -0.10 0.00 0.02 0.00 0.00 46.19 42.38 1h38 s LEU 864 CO 0.55 -0.93 0.71 -0.81 0.02 0.00 0.00 176.35 175.90 1h38 n PRO 865 N 5.61 0.80 -1.65 1.29 -0.04 -1.26 -4.91 135.00 134.84 1h38 n PRO 865 Ca 0.16 0.30 -0.33 0.00 -0.04 0.00 0.00 63.50 63.59 1h38 n PRO 865 Cb 0.40 -1.75 0.06 0.00 -0.04 0.00 0.00 33.50 32.16 1h38 n PRO 865 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h38 s ALA 866 N -1.47 2.35 0.95 0.55 0.00 -1.26 -5.03 121.76 117.84 1h38 s ALA 866 Ca 0.65 0.66 -0.15 0.00 0.00 0.00 0.00 51.96 53.13 1h38 s ALA 866 Cb -0.54 -3.37 0.20 0.00 0.00 0.00 0.00 23.12 19.41 1h38 s ALA 866 CO 0.56 -1.47 1.31 0.15 0.00 0.00 0.00 175.76 176.30 1h38 s LYS 867 N -4.01 0.69 0.00 0.00 3.01 -1.26 -4.94 119.74 113.22 1h38 s LYS 867 Ca 0.69 -0.44 0.00 0.00 -1.01 0.00 0.00 55.97 55.21 1h38 s LYS 867 Cb -0.23 -1.87 0.00 0.00 -1.01 0.00 0.00 37.83 34.72 1h38 s LYS 867 CO 0.42 -2.37 0.00 0.41 0.51 0.00 0.00 175.35 174.32 1h38 n GLY 868 N -3.73 6.72 1.34 -3.33 0.00 0.07 -4.94 105.19 101.32 1h38 n GLY 868 Ca 0.15 -2.07 0.11 0.00 0.00 0.00 0.00 46.02 44.22 1h38 n GLY 868 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h38 n ASN 869 N -0.26 3.96 -4.77 1.61 5.03 -0.73 -4.79 115.26 115.31 1h38 n ASN 869 Ca 0.00 -2.02 -0.40 0.00 0.87 0.00 0.00 54.58 53.03 1h38 n ASN 869 Cb 0.00 -0.48 -0.01 0.00 -1.02 0.00 0.00 39.78 38.26 1h38 n ASN 869 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1h38 s LEU 870 N -1.04 4.31 -0.57 3.41 2.96 -0.19 -4.88 118.68 122.67 1h38 s LEU 870 Ca 0.48 2.62 -0.04 0.00 -0.22 0.00 0.00 54.13 56.97 1h38 s LEU 870 Cb 0.25 -3.81 0.15 0.00 0.50 0.00 0.00 46.19 43.28 1h38 s LEU 870 CO 0.32 -0.68 0.39 0.21 -1.32 0.00 0.00 176.35 175.28 1h38 s ASN 871 N -0.69 5.35 0.44 3.68 2.47 -1.26 -4.86 114.94 120.06 1h38 s ASN 871 Ca 0.53 -2.59 0.38 0.00 0.42 0.00 0.00 52.86 51.60 1h38 s ASN 871 Cb -0.38 -1.88 1.38 0.00 -1.45 0.00 0.00 41.25 38.93 1h38 s ASN 871 CO 0.49 -0.44 1.28 0.18 -3.72 0.00 0.00 177.10 174.89 1h38 n LEU 872 N 3.86 0.04 0.11 3.21 4.77 -1.26 0.17 117.00 127.90 1h38 n LEU 872 Ca 0.05 0.89 0.15 0.00 -0.03 0.00 0.00 56.01 57.07 1h38 n LEU 872 Cb 0.39 -0.44 0.68 0.00 -2.33 0.00 0.00 43.42 41.71 1h38 n LEU 872 CO 0.34 -0.91 1.14 0.03 -1.33 0.00 0.00 177.39 176.65 1h38 h ARG 873 N 0.00 0.00 -0.29 3.23 2.47 -1.93 -1.07 114.38 116.79 1h38 h ARG 873 Ca 0.76 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 59.50 1h38 h ARG 873 Cb 2.94 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 31.24 1h38 h ARG 873 CO -0.09 0.00 0.19 -0.44 0.56 0.00 0.00 179.97 180.19 1h38 h ASP 874 N 0.00 0.28 -0.98 7.04 3.32 0.13 -2.39 116.42 123.82 1h38 h ASP 874 Ca 0.14 -0.01 0.18 0.00 0.02 0.00 0.00 57.03 57.37 1h38 h ASP 874 Cb 0.59 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 39.97 1h38 h ASP 874 CO -0.00 0.20 0.61 0.40 -1.72 0.00 0.00 179.24 178.73 1h38 h ILE 875 N 0.33 0.74 0.00 0.35 2.04 -1.26 0.18 117.51 119.89 1h38 h ILE 875 Ca 0.11 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1h38 h ILE 875 Cb 0.05 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 1h38 h ILE 875 CO -0.02 0.13 0.03 0.18 0.00 0.00 0.00 178.15 178.47 1h38 n LEU 876 N -4.68 0.42 -0.10 1.44 4.77 -0.90 -1.07 117.00 116.88 1h38 n LEU 876 Ca 0.22 0.68 0.05 0.00 -0.03 0.00 0.00 56.01 56.93 1h38 n LEU 876 Cb 0.55 -0.73 0.07 0.00 -2.33 0.00 0.00 43.42 40.98 1h38 n LEU 876 CO 0.24 -0.83 0.49 -0.62 -1.33 0.00 0.00 177.39 175.35 1h38 n GLU 877 N -2.06 1.54 -3.28 3.23 1.02 0.60 -4.99 120.64 116.70 1h38 n GLU 877 Ca -0.01 -1.91 -0.39 0.00 -0.02 0.00 0.00 57.16 54.82 1h38 n GLU 877 Cb 0.05 -1.16 -0.08 0.00 -0.02 0.00 0.00 31.44 30.24 1h38 n GLU 877 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1h38 s SER 878 N -1.88 6.42 -0.03 1.62 0.15 -0.23 -4.37 113.70 115.38 1h38 s SER 878 Ca 0.16 0.50 -0.24 0.00 0.70 0.00 0.00 55.95 57.07 1h38 s SER 878 Cb 0.14 -2.26 -0.18 0.00 -1.71 0.00 0.00 66.02 62.01 1h38 s SER 878 CO 0.02 -0.23 1.11 0.44 1.20 0.00 0.00 173.24 175.77 1h38 h ASP 879 N 7.91 -0.14 -0.13 5.45 3.32 -1.87 -3.32 116.42 127.63 1h38 h ASP 879 Ca -0.31 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 56.31 1h38 h ASP 879 Cb 1.15 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 1h38 h ASP 879 CO 0.71 0.35 0.06 0.49 -1.72 0.00 0.00 179.24 179.13 1h38 n PHE 880 N -4.93 0.43 -2.03 4.55 3.72 -1.26 -3.92 117.46 114.01 1h38 n PHE 880 Ca -0.08 -0.48 -0.26 0.00 -0.05 0.00 0.00 57.45 56.58 1h38 n PHE 880 Cb 0.26 -0.28 0.02 0.00 -0.94 0.00 0.00 39.48 38.54 1h38 n PHE 880 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1h38 n ALA 881 N 0.18 5.17 -1.40 4.37 0.00 -1.23 -4.68 120.51 122.92 1h38 n ALA 881 Ca 0.08 -3.86 -0.38 0.00 0.00 0.00 0.00 53.44 49.28 1h38 n ALA 881 Cb 0.57 -0.51 -0.14 0.00 0.00 0.00 0.00 19.45 19.37 1h38 n ALA 881 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1h38 n PHE 882 N -0.69 0.52 -0.22 0.00 3.72 -1.25 -4.84 117.46 114.70 1h38 n PHE 882 Ca 0.45 0.35 0.00 0.00 -0.05 0.00 0.00 57.45 58.20 1h38 n PHE 882 Cb 0.88 -2.21 0.00 0.00 -0.94 0.00 0.00 39.48 37.21 1h38 n PHE 882 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71