#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 5.28 -0.54 3.41 -4.23 -1.26 -4.79 115.64 113.50 1h38 s THR 3 Ca 0.00 0.36 -0.26 0.00 -1.18 0.00 0.00 61.69 60.61 1h38 s THR 3 Cb 0.00 -3.56 -0.06 0.00 1.34 0.00 0.00 72.50 70.21 1h38 s THR 3 CO 0.00 0.48 2.30 -0.63 -0.54 0.00 0.00 174.62 176.22 1h38 s ILE 4 N -1.18 3.08 -0.10 2.99 1.01 -1.23 -4.88 121.20 120.88 1h38 s ILE 4 Ca 0.24 0.04 -0.37 0.00 0.00 0.00 0.00 60.65 60.55 1h38 s ILE 4 Cb -0.14 -3.21 -0.15 0.00 0.01 0.00 0.00 42.46 38.97 1h38 s ILE 4 CO 0.12 -0.21 1.68 0.59 0.00 0.00 0.00 174.94 177.12 1h38 n ASN 5 N 15.46 2.60 0.13 3.58 3.02 -1.26 -4.59 115.26 134.21 1h38 n ASN 5 Ca 0.34 1.06 0.02 0.00 -0.03 0.00 0.00 54.58 55.97 1h38 n ASN 5 Cb 0.54 -1.25 0.03 0.00 -0.61 0.00 0.00 39.78 38.49 1h38 n ASN 5 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1h38 h ILE 6 N 4.70 0.96 0.00 2.41 1.08 -1.90 -3.37 117.51 121.39 1h38 h ILE 6 Ca -0.47 -2.31 -0.00 0.00 -0.39 0.00 0.00 64.86 61.68 1h38 h ILE 6 Cb 1.30 2.44 -0.00 0.00 -3.07 0.00 0.00 36.82 37.49 1h38 h ILE 6 CO 0.91 0.54 0.21 0.00 -0.69 0.00 0.00 178.15 179.12 1h38 n ALA 7 N -2.24 1.42 -3.00 1.87 0.00 -1.26 -3.30 120.51 113.99 1h38 n ALA 7 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1h38 n ALA 7 Cb 0.74 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 2.43 0.52 0.00 0.00 5.02 -1.26 -4.95 118.16 119.92 1h38 n LYS 8 Ca 0.01 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.43 1h38 n LYS 8 Cb 0.03 0.00 0.79 0.00 -0.02 0.00 0.00 35.03 35.83 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 2.85 -1.26 -2.42 115.26 118.82 1h38 n ASN 9 Ca 0.00 -0.79 0.00 0.00 -0.11 0.00 0.00 54.58 53.68 1h38 n ASN 9 Cb 0.00 -0.02 0.00 0.00 1.24 0.00 0.00 39.78 41.00 1h38 n ASN 9 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1h38 n ASP 10 N -1.02 0.00 0.22 1.20 -0.08 -1.24 -3.07 116.55 112.56 1h38 n ASP 10 Ca 0.20 0.55 0.15 0.00 -1.51 0.00 0.00 54.79 54.18 1h38 n ASP 10 Cb 0.10 -0.23 0.64 0.00 2.34 0.00 0.00 41.12 43.98 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 -0.52 -0.67 0.04 -1.64 -1.14 116.94 113.00 1h38 h PHE 11 Ca 0.00 0.00 0.15 0.00 2.80 0.00 0.00 57.97 60.92 1h38 h PHE 11 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 1h38 h PHE 11 CO 0.07 0.00 0.42 1.03 -0.60 0.00 0.00 178.31 179.22 1h38 h SER 12 N 0.00 0.00 -0.98 2.17 0.87 -1.53 -1.24 113.55 112.84 1h38 h SER 12 Ca 0.00 0.00 0.23 0.00 -1.23 0.00 0.00 61.79 60.79 1h38 h SER 12 Cb 0.41 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.19 1h38 h SER 12 CO 0.00 0.00 -0.14 -0.67 -0.53 0.00 0.00 176.83 175.49 1h38 n ASP 13 N -4.16 -0.26 -2.30 6.23 4.64 -0.43 -1.44 116.55 118.83 1h38 n ASP 13 Ca 0.10 1.67 -0.09 0.00 -1.38 0.00 0.00 54.79 55.09 1h38 n ASP 13 Cb 0.63 -0.55 -0.09 0.00 -1.04 0.00 0.00 41.12 40.07 1h38 n ASP 13 CO 0.00 0.00 0.00 -0.38 -0.82 0.00 0.00 177.20 176.00 1h38 n ILE 14 N -5.54 1.90 -1.54 5.18 5.41 -0.47 -4.86 119.36 119.44 1h38 n ILE 14 Ca 0.19 -0.97 -0.33 0.00 1.00 0.00 0.00 62.75 62.64 1h38 n ILE 14 Cb 0.60 -1.84 -0.08 0.00 -0.71 0.00 0.00 39.64 37.61 1h38 n ILE 14 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1h38 n GLU 15 N 2.84 0.65 0.00 0.38 1.02 -0.52 -4.75 120.64 120.26 1h38 n GLU 15 Ca 0.28 -0.14 0.04 0.00 -0.02 0.00 0.00 57.16 57.33 1h38 n GLU 15 Cb 0.51 -2.87 0.27 0.00 -0.02 0.00 0.00 31.44 29.33 1h38 n GLU 15 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1h38 n LEU 16 N 14.42 0.00 -0.03 -4.62 -0.00 -1.26 -3.28 117.00 122.24 1h38 n LEU 16 Ca 0.48 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 56.43 1h38 n LEU 16 Cb 0.38 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.78 1h38 n LEU 16 CO 0.76 0.00 -0.70 0.00 -0.00 0.00 0.00 177.39 177.45 1h38 n ALA 17 N -0.88 2.29 -3.84 1.47 0.00 -1.26 -4.60 120.51 113.68 1h38 n ALA 17 Ca 0.07 -0.24 -0.27 0.00 0.00 0.00 0.00 53.44 53.00 1h38 n ALA 17 Cb 0.03 0.40 -0.17 0.00 0.00 0.00 0.00 19.45 19.71 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 -2.11 1.21 -0.26 0.00 0.00 -1.20 -5.08 121.76 114.31 1h38 s ALA 18 Ca -0.08 -0.60 -0.37 0.00 0.00 0.00 0.00 51.96 50.90 1h38 s ALA 18 Cb 0.03 -1.01 0.16 0.00 0.00 0.00 0.00 23.12 22.29 1h38 s ALA 18 CO 0.12 -0.71 1.33 0.42 0.00 0.00 0.00 175.76 176.92 1h38 s ILE 19 N 1.76 0.00 -0.67 0.00 -1.09 -1.26 -4.55 121.20 115.39 1h38 s ILE 19 Ca 0.02 0.00 -0.04 0.00 -2.23 0.00 0.00 60.65 58.40 1h38 s ILE 19 Cb -0.14 -1.00 -0.04 0.00 -1.58 0.00 0.00 42.46 39.70 1h38 s ILE 19 CO -0.07 0.00 1.82 -0.81 -1.23 0.00 0.00 174.94 174.65 1h38 n PRO 20 N 0.02 1.54 -0.16 2.79 -0.04 -1.26 -3.95 135.00 133.94 1h38 n PRO 20 Ca 0.04 -1.20 0.09 0.00 -0.04 0.00 0.00 63.50 62.38 1h38 n PRO 20 Cb 0.57 -2.33 0.17 0.00 -0.04 0.00 0.00 33.50 31.87 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 4.39 0.42 0.00 0.54 1.16 -1.26 -4.40 117.46 118.31 1h38 n PHE 21 Ca 0.33 -0.28 0.00 0.00 -1.87 0.00 0.00 57.45 55.62 1h38 n PHE 21 Cb 0.10 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 37.96 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 1.08 0.00 0.14 5.98 3.02 -1.25 -0.72 115.26 123.50 1h38 n ASN 22 Ca 0.15 0.36 -0.06 0.00 -0.03 0.00 0.00 54.58 55.00 1h38 n ASN 22 Cb 0.50 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 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 0.25 3.41 2.02 -1.93 -2.33 112.91 114.33 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 0.13 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.50 1h38 h THR 23 CO 0.00 0.00 -0.42 -0.07 0.37 0.00 0.00 175.52 175.40 1h38 h LEU 24 N -0.56 -1.20 -0.94 2.58 3.38 -1.27 0.65 115.31 117.95 1h38 h LEU 24 Ca -0.04 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.15 1h38 h LEU 24 Cb 0.29 0.43 -0.13 0.00 0.09 0.00 0.00 40.66 41.34 1h38 h LEU 24 CO 0.06 -0.52 -0.54 0.00 0.09 0.00 0.00 178.44 177.53 1h38 h ALA 25 N -0.33 -0.39 -0.92 1.53 0.00 -1.44 0.78 119.26 118.49 1h38 h ALA 25 Ca -0.01 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1h38 h ALA 25 Cb 0.71 1.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.72 1h38 h ALA 25 CO -0.17 -0.89 0.53 0.22 0.00 0.00 0.00 179.25 178.94 1h38 h ASP 26 N -0.04 1.12 -0.24 0.00 3.58 -1.19 0.95 116.42 120.59 1h38 h ASP 26 Ca 0.20 -0.08 -0.10 0.00 0.42 0.00 0.00 57.03 57.46 1h38 h ASP 26 Cb 0.47 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 1h38 h ASP 26 CO -0.92 0.87 -0.24 0.45 -2.88 0.00 0.00 179.24 176.53 1h38 h HIS 27 N 1.27 0.71 0.00 0.28 3.86 0.21 -3.38 115.15 118.10 1h38 h HIS 27 Ca 0.33 -0.21 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1h38 h HIS 27 Cb -0.02 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 1h38 h HIS 27 CO 0.01 0.92 -0.40 0.66 0.86 0.00 0.00 177.93 179.97 1h38 n TYR 28 N -4.36 0.00 0.00 2.45 4.02 0.23 -5.07 117.16 114.43 1h38 n TYR 28 Ca -0.05 -0.30 0.00 0.00 -0.01 0.00 0.00 57.90 57.54 1h38 n TYR 28 Cb 0.43 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.67 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 -0.36 0.76 0.09 2.72 0.00 0.33 -4.46 105.19 104.27 1h38 n GLY 29 Ca 0.05 -1.87 -0.18 0.00 0.00 0.00 0.00 46.02 44.02 1h38 n GLY 29 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1h38 h GLU 30 N 0.00 0.13 -0.10 1.61 4.81 -1.89 -2.99 114.58 116.15 1h38 h GLU 30 Ca 0.00 -0.22 0.02 0.00 -0.13 0.00 0.00 59.36 59.03 1h38 h GLU 30 Cb 0.00 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1h38 h GLU 30 CO 0.00 1.11 -0.34 -0.09 -0.73 0.00 0.00 179.01 178.95 1h38 h ARG 31 N -0.71 -0.34 -0.59 1.92 2.43 -1.94 0.49 114.38 115.63 1h38 h ARG 31 Ca -0.11 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.17 1h38 h ARG 31 Cb 1.33 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.89 1h38 h ARG 31 CO 0.04 -0.23 0.23 -0.07 -1.51 0.00 0.00 179.97 178.43 1h38 h LEU 32 N -0.36 0.24 -0.38 3.80 -0.00 -1.78 0.23 115.31 117.06 1h38 h LEU 32 Ca 0.02 0.07 0.08 0.00 -0.00 0.00 0.00 57.88 58.05 1h38 h LEU 32 Cb 0.42 0.05 -0.07 0.00 -0.00 0.00 0.00 40.66 41.06 1h38 h LEU 32 CO -0.28 0.15 -0.11 0.00 -0.00 0.00 0.00 178.44 178.19 1h38 h ALA 33 N 1.40 0.23 0.00 1.53 0.00 -1.15 0.26 119.26 121.53 1h38 h ALA 33 Ca 0.30 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.28 1h38 h ALA 33 Cb 0.35 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1h38 h ALA 33 CO -0.29 -0.47 -0.37 0.00 0.00 0.00 0.00 179.25 178.12 1h38 h ARG 34 N -0.02 0.00 -0.01 0.00 3.08 0.11 -2.78 114.38 114.77 1h38 h ARG 34 Ca 0.18 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1h38 h ARG 34 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1h38 h ARG 34 CO -0.40 0.37 -0.04 1.49 -1.07 0.00 0.00 179.97 180.32 1h38 h GLU 35 N 0.00 0.04 -0.59 0.04 4.81 0.12 -2.02 114.58 116.97 1h38 h GLU 35 Ca -0.00 -0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.31 1h38 h GLU 35 Cb 0.76 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.05 1h38 h GLU 35 CO 0.05 0.68 0.05 1.96 -0.73 0.00 0.00 179.01 181.02 1h38 h GLN 36 N -0.59 0.16 -0.30 1.92 1.08 -0.53 0.51 115.11 117.37 1h38 h GLN 36 Ca -0.00 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 1h38 h GLN 36 Cb 0.69 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.06 1h38 h GLN 36 CO 0.01 0.11 -0.06 -0.07 -0.95 0.00 0.00 178.83 177.86 1h38 h LEU 37 N 0.17 0.45 0.12 1.46 3.38 -1.54 0.94 115.31 120.29 1h38 h LEU 37 Ca 0.31 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1h38 h LEU 37 Cb 0.49 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1h38 h LEU 37 CO -0.47 0.56 -0.06 0.00 0.09 0.00 0.00 178.44 178.57 1h38 h ALA 38 N 1.49 -0.16 -0.65 1.53 0.00 -0.18 -0.52 119.26 120.76 1h38 h ALA 38 Ca 0.09 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1h38 h ALA 38 Cb 0.39 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1h38 h ALA 38 CO 0.02 -0.41 0.38 1.25 0.00 0.00 0.00 179.25 180.49 1h38 h LEU 39 N -0.53 0.59 -0.67 0.00 5.85 0.23 0.39 115.31 121.17 1h38 h LEU 39 Ca -0.02 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1h38 h LEU 39 Cb 0.42 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1h38 h LEU 39 CO 0.03 0.39 0.26 -0.08 -0.34 0.00 0.00 178.44 178.71 1h38 h GLU 40 N 0.72 1.00 -0.21 1.25 4.81 -0.83 -1.74 114.58 119.58 1h38 h GLU 40 Ca 0.28 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1h38 h GLU 40 Cb 0.11 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1h38 h GLU 40 CO -0.15 0.83 0.12 1.25 -0.73 0.00 0.00 179.01 180.33 1h38 h HIS 41 N 0.94 0.29 -0.83 0.92 2.76 0.18 -2.72 115.15 116.69 1h38 h HIS 41 Ca 0.22 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.45 1h38 h HIS 41 Cb 0.21 -0.09 -0.06 0.00 1.55 0.00 0.00 27.41 29.02 1h38 h HIS 41 CO 0.01 0.25 0.51 1.49 -1.30 0.00 0.00 177.93 178.89 1h38 h GLU 42 N 0.24 0.89 -0.79 5.26 4.81 -0.04 -0.99 114.58 123.97 1h38 h GLU 42 Ca 0.07 -0.05 0.16 0.00 -0.13 0.00 0.00 59.36 59.41 1h38 h GLU 42 Cb 0.06 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.18 1h38 h GLU 42 CO -0.01 0.59 0.52 0.77 -0.73 0.00 0.00 179.01 180.15 1h38 h SER 43 N 0.92 0.41 0.66 1.04 0.02 -0.99 0.14 113.55 115.76 1h38 h SER 43 Ca 0.37 0.03 -0.18 0.00 -0.84 0.00 0.00 61.79 61.16 1h38 h SER 43 Cb 0.19 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1h38 h SER 43 CO -0.18 0.21 -0.84 1.88 -1.14 0.00 0.00 176.83 176.76 1h38 h TYR 44 N 0.44 0.18 -0.65 3.45 -1.99 -1.15 -1.32 116.97 115.92 1h38 h TYR 44 Ca 0.39 -0.10 -0.08 0.00 2.00 0.00 0.00 58.73 60.95 1h38 h TYR 44 Cb 0.89 -0.02 -0.03 0.00 2.00 0.00 0.00 36.73 39.57 1h38 h TYR 44 CO -0.00 0.90 0.09 0.93 -0.00 0.00 0.00 178.16 180.08 1h38 h GLU 45 N 0.07 1.08 -0.63 4.88 5.08 -0.50 -0.66 114.58 123.90 1h38 h GLU 45 Ca -0.03 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 57.95 1h38 h GLU 45 Cb 1.46 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 1h38 h GLU 45 CO 0.12 1.00 0.06 0.52 -1.00 0.00 0.00 179.01 179.70 1h38 h MET 46 N 1.01 1.06 -0.27 2.33 2.86 -0.97 -0.45 114.93 120.51 1h38 h MET 46 Ca 0.20 -0.30 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 1h38 h MET 46 Cb 0.45 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1h38 h MET 46 CO 0.01 1.00 -0.18 0.78 1.06 0.00 0.00 176.91 179.59 1h38 h GLY 47 N 1.02 0.51 0.68 8.32 0.00 -0.93 -0.58 103.07 112.09 1h38 h GLY 47 Ca 0.19 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1h38 h GLY 47 CO 0.02 0.35 -0.07 -2.09 0.00 0.00 0.00 176.54 174.75 1h38 h GLU 48 N 0.43 -0.18 -0.39 4.80 4.81 -0.59 -1.39 114.58 122.07 1h38 h GLU 48 Ca 0.07 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1h38 h GLU 48 Cb 0.56 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1h38 h GLU 48 CO 0.04 0.14 0.26 0.00 -0.73 0.00 0.00 179.01 178.71 1h38 h ALA 49 N 0.29 1.74 0.37 2.92 0.00 -0.97 -0.57 119.26 123.05 1h38 h ALA 49 Ca -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1h38 h ALA 49 Cb 0.40 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1h38 h ALA 49 CO 0.03 0.23 -0.35 -0.09 0.00 0.00 0.00 179.25 179.08 1h38 h ARG 50 N 0.51 -0.71 -0.07 0.00 9.65 -0.83 -0.23 114.38 122.70 1h38 h ARG 50 Ca 0.14 0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 59.05 1h38 h ARG 50 Cb -0.03 0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 1h38 h ARG 50 CO -0.03 -0.47 -0.09 0.35 2.80 0.00 0.00 179.97 182.53 1h38 h PHE 51 N -0.74 0.10 0.27 2.20 3.57 -0.58 -2.27 116.94 119.49 1h38 h PHE 51 Ca -0.03 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1h38 h PHE 51 Cb 0.66 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.37 1h38 h PHE 51 CO -0.19 0.19 -0.13 0.00 -2.23 0.00 0.00 178.31 175.95 1h38 h ARG 52 N 0.10 -0.35 -0.91 1.11 2.47 -0.57 0.25 114.38 116.48 1h38 h ARG 52 Ca 0.02 0.02 0.21 0.00 -1.26 0.00 0.00 59.98 58.98 1h38 h ARG 52 Cb 0.22 0.08 -0.07 0.00 -1.65 0.00 0.00 29.97 28.56 1h38 h ARG 52 CO 0.01 -0.23 0.60 0.87 0.56 0.00 0.00 179.97 181.78 1h38 h LYS 53 N -0.43 0.36 0.14 0.04 1.57 -1.00 0.27 116.57 117.52 1h38 h LYS 53 Ca -0.04 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1h38 h LYS 53 Cb 0.28 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1h38 h LYS 53 CO 0.06 0.24 -0.07 1.98 -0.57 0.00 0.00 179.45 181.09 1h38 h MET 54 N 0.37 -0.18 -0.10 3.15 4.05 -1.33 -2.68 114.93 118.22 1h38 h MET 54 Ca 0.47 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.93 1h38 h MET 54 Cb 1.23 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 32.06 1h38 h MET 54 CO -0.17 0.09 0.08 0.35 0.23 0.00 0.00 176.91 177.49 1h38 h PHE 55 N -0.43 0.00 0.16 1.39 3.57 0.16 -2.09 116.94 119.69 1h38 h PHE 55 Ca -0.02 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1h38 h PHE 55 Cb 0.35 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1h38 h PHE 55 CO 0.01 0.00 -0.08 1.49 -2.23 0.00 0.00 178.31 177.50 1h38 h GLU 56 N 0.00 -0.21 -1.00 1.11 4.22 -0.25 -2.71 114.58 115.74 1h38 h GLU 56 Ca 0.05 0.01 0.23 0.00 0.08 0.00 0.00 59.36 59.73 1h38 h GLU 56 Cb 0.20 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.41 1h38 h GLU 56 CO -0.00 -0.14 0.63 0.00 -2.18 0.00 0.00 179.01 177.32 1h38 h ARG 57 N -0.23 0.50 -0.47 1.92 3.08 -1.27 -0.48 114.38 117.44 1h38 h ARG 57 Ca -0.02 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.09 1h38 h ARG 57 Cb 0.17 -0.11 -0.10 0.00 0.08 0.00 0.00 29.97 30.01 1h38 h ARG 57 CO 0.04 0.33 -0.24 1.96 -1.07 0.00 0.00 179.97 180.98 1h38 h GLN 58 N 0.51 -0.14 -0.11 0.04 1.08 -1.25 -2.13 115.11 113.11 1h38 h GLN 58 Ca 0.57 0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.71 1h38 h GLN 58 Cb 1.26 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1h38 h GLN 58 CO -0.32 -0.09 -0.23 -0.07 -0.95 0.00 0.00 178.83 177.17 1h38 h LEU 59 N -0.14 0.40 -0.22 1.46 3.38 -0.84 0.36 115.31 119.71 1h38 h LEU 59 Ca 0.22 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1h38 h LEU 59 Cb 0.48 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1h38 h LEU 59 CO -0.55 0.88 0.47 1.17 0.09 0.00 0.00 178.44 180.49 1h38 n LYS 60 N -4.49 0.03 -1.02 1.13 4.81 -0.33 0.17 118.16 118.45 1h38 n LYS 60 Ca -0.07 0.34 0.02 0.00 -0.87 0.00 0.00 58.31 57.74 1h38 n LYS 60 Cb 0.43 -2.05 0.02 0.00 0.02 0.00 0.00 35.03 33.44 1h38 n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1h38 n ALA 61 N -1.28 2.22 -1.15 3.14 0.00 -1.03 -4.97 120.51 117.46 1h38 n ALA 61 Ca -0.00 -1.78 -0.05 0.00 0.00 0.00 0.00 53.44 51.61 1h38 n ALA 61 Cb 0.47 -0.62 -0.02 0.00 0.00 0.00 0.00 19.45 19.28 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 0.22 0.51 0.51 0.00 0.00 0.13 -4.75 105.19 101.80 1h38 n GLY 62 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 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 0.13 1.33 0.28 1.61 1.02 0.12 -3.82 120.64 121.31 1h38 n GLU 63 Ca -0.05 -0.30 0.15 0.00 -0.02 0.00 0.00 57.16 56.93 1h38 n GLU 63 Cb 0.54 -1.44 0.88 0.00 -0.02 0.00 0.00 31.44 31.41 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 0.40 0.56 0.01 2.62 2.07 -1.76 0.54 116.25 120.70 1h38 h VAL 64 Ca 0.00 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.32 1h38 h VAL 64 Cb 0.51 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1h38 h VAL 64 CO 0.04 0.00 -0.90 0.00 0.02 0.00 0.00 177.57 176.73 1h38 h ALA 65 N 1.97 0.50 -0.33 1.67 0.00 -1.90 -3.24 119.26 117.93 1h38 h ALA 65 Ca 0.01 -0.74 -0.42 0.00 0.00 0.00 0.00 54.91 53.75 1h38 h ALA 65 Cb 0.05 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 17.64 1h38 h ALA 65 CO -0.00 0.94 0.46 -0.25 0.00 0.00 0.00 179.25 180.40 1h38 n ASP 66 N -3.63 6.29 -3.76 0.00 10.43 0.19 -4.52 116.55 121.55 1h38 n ASP 66 Ca -0.03 -2.92 -0.13 0.00 2.57 0.00 0.00 54.79 54.27 1h38 n ASP 66 Cb 0.82 -1.32 -0.09 0.00 1.84 0.00 0.00 41.12 42.37 1h38 n ASP 66 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1h38 s ASN 67 N 1.01 -0.26 0.11 -2.24 3.84 -1.21 -4.98 114.94 111.21 1h38 s ASN 67 Ca 0.62 0.32 0.15 0.00 0.21 0.00 0.00 52.86 54.16 1h38 s ASN 67 Cb 0.34 0.46 0.66 0.00 -0.55 0.00 0.00 41.25 42.16 1h38 s ASN 67 CO -0.13 -0.33 1.46 0.00 -2.79 0.00 0.00 177.10 175.32 1h38 n ALA 68 N 1.88 1.46 0.09 1.71 0.00 -1.26 -2.12 120.51 122.26 1h38 n ALA 68 Ca -0.18 0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.21 1h38 n ALA 68 Cb 0.57 -1.24 0.04 0.00 0.00 0.00 0.00 19.45 18.81 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 2.28 0.63 0.00 0.00 0.00 -1.92 -3.33 119.26 116.93 1h38 h ALA 69 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1h38 h ALA 69 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1h38 h ALA 69 CO 0.00 0.86 -1.17 0.00 0.00 0.00 0.00 179.25 178.94 1h38 n ALA 70 N -2.46 4.19 0.15 0.00 0.00 -0.90 -4.53 120.51 116.95 1h38 n ALA 70 Ca -0.03 -0.55 -0.00 0.00 0.00 0.00 0.00 53.44 52.86 1h38 n ALA 70 Cb 0.74 -0.72 0.20 0.00 0.00 0.00 0.00 19.45 19.67 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 0.00 -0.38 0.00 1.57 -1.61 -3.06 116.57 113.09 1h38 h LYS 71 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1h38 h LYS 71 Cb 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1h38 h LYS 71 CO 0.00 0.57 0.24 -1.00 -0.57 0.00 0.00 179.45 178.69 1h38 h PRO 72 N 0.00 0.51 0.21 3.15 0.13 -1.80 -2.04 132.00 132.17 1h38 h PRO 72 Ca -0.01 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1h38 h PRO 72 Cb 1.06 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1h38 h PRO 72 CO 0.07 0.37 -0.10 -0.07 -0.23 0.00 0.00 178.00 178.04 1h38 h LEU 73 N 0.50 -0.24 -1.68 1.56 3.38 -1.86 -2.83 115.31 114.14 1h38 h LEU 73 Ca 0.14 -0.16 0.24 0.00 0.09 0.00 0.00 57.88 58.19 1h38 h LEU 73 Cb -0.02 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 1h38 h LEU 73 CO -0.03 0.02 0.63 0.40 0.09 0.00 0.00 178.44 179.56 1h38 h ILE 74 N -0.51 0.60 0.00 1.22 2.04 -1.49 0.70 117.51 120.07 1h38 h ILE 74 Ca -0.03 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1h38 h ILE 74 Cb 0.39 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1h38 h ILE 74 CO 0.05 0.05 -0.09 0.74 0.00 0.00 0.00 178.15 178.90 1h38 h THR 75 N 0.25 0.51 0.00 -0.27 2.02 -1.10 -0.73 112.91 113.58 1h38 h THR 75 Ca 0.48 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1h38 h THR 75 Cb 1.45 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 1h38 h THR 75 CO -0.13 0.09 -1.33 0.35 0.37 0.00 0.00 175.52 174.87 1h38 n THR 76 N -3.63 0.00 0.04 3.16 -2.24 0.20 -4.50 114.28 107.31 1h38 n THR 76 Ca -0.02 -0.28 -0.11 0.00 -2.27 0.00 0.00 64.05 61.38 1h38 n THR 76 Cb 0.20 0.43 -0.13 0.00 -2.10 0.00 0.00 70.33 68.73 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 -0.49 3.22 5.85 -0.04 -3.36 115.31 120.62 1h38 h LEU 77 Ca 0.00 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 1h38 h LEU 77 Cb 0.53 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1h38 h LEU 77 CO 0.00 1.16 0.09 0.25 -0.34 0.00 0.00 178.44 179.60 1h38 h LEU 78 N 0.02 0.77 -0.07 2.25 5.85 -1.37 -2.69 115.31 120.08 1h38 h LEU 78 Ca -0.17 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 1h38 h LEU 78 Cb 1.92 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.74 1h38 h LEU 78 CO 0.13 0.83 0.04 1.55 -0.34 0.00 0.00 178.44 180.65 1h38 h PRO 79 N 0.69 0.09 -0.48 5.25 0.13 -1.80 0.13 132.00 136.02 1h38 h PRO 79 Ca 0.15 -0.01 0.10 0.00 -0.87 0.00 0.00 66.00 65.37 1h38 h PRO 79 Cb 0.38 -0.02 -0.10 0.00 0.13 0.00 0.00 31.00 31.39 1h38 h PRO 79 CO 0.01 0.10 -0.18 0.87 -0.23 0.00 0.00 178.00 178.57 1h38 h LYS 80 N 0.06 -0.07 0.21 0.86 1.57 -1.69 -0.32 116.57 117.18 1h38 h LYS 80 Ca 0.03 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1h38 h LYS 80 Cb 0.03 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1h38 h LYS 80 CO -0.00 -0.05 -0.10 1.98 -0.57 0.00 0.00 179.45 180.70 1h38 h MET 81 N -0.08 -0.27 -0.75 3.15 4.05 -1.23 -2.35 114.93 117.45 1h38 h MET 81 Ca 0.23 0.02 0.14 0.00 -0.28 0.00 0.00 59.70 59.80 1h38 h MET 81 Cb 0.43 0.06 -0.09 0.00 -0.80 0.00 0.00 31.60 31.20 1h38 h MET 81 CO -0.53 -0.12 0.31 0.82 0.23 0.00 0.00 176.91 177.62 1h38 h ILE 82 N -0.37 0.68 0.11 1.77 2.04 -0.11 -1.91 117.51 119.72 1h38 h ILE 82 Ca -0.03 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1h38 h ILE 82 Cb 0.28 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1h38 h ILE 82 CO 0.05 0.08 -0.05 0.00 0.00 0.00 0.00 178.15 178.23 1h38 h ALA 83 N 1.54 -0.15 -0.53 1.87 0.00 -0.96 -2.17 119.26 118.86 1h38 h ALA 83 Ca 0.41 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.34 1h38 h ALA 83 Cb 0.61 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.35 1h38 h ALA 83 CO -0.39 -0.54 -0.37 -0.09 0.00 0.00 0.00 179.25 177.85 1h38 h ARG 84 N -0.23 -0.21 -0.52 0.00 1.12 -0.80 0.19 114.38 113.93 1h38 h ARG 84 Ca -0.01 0.01 0.04 0.00 -1.11 0.00 0.00 59.98 58.91 1h38 h ARG 84 Cb 0.18 0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 30.15 1h38 h ARG 84 CO 0.02 -0.14 0.27 0.82 -3.11 0.00 0.00 179.97 177.83 1h38 h ILE 85 N -0.22 0.96 -0.05 1.20 2.04 -1.41 0.68 117.51 120.71 1h38 h ILE 85 Ca 0.20 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.91 1h38 h ILE 85 Cb 0.56 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 1h38 h ILE 85 CO -0.65 0.10 -0.39 0.78 0.00 0.00 0.00 178.15 177.99 1h38 h ASN 86 N 0.52 -1.20 0.08 1.72 -0.26 -0.37 0.36 115.58 116.44 1h38 h ASN 86 Ca 0.23 0.15 0.01 0.00 -0.56 0.00 0.00 56.30 56.13 1h38 h ASN 86 Cb 0.13 0.48 -0.01 0.00 -1.06 0.00 0.00 38.32 37.86 1h38 h ASN 86 CO -0.16 -0.43 -0.11 0.44 -1.06 0.00 0.00 177.43 176.11 1h38 h ASP 87 N -0.52 -0.31 -0.97 5.81 3.32 -0.78 -2.46 116.42 120.51 1h38 h ASP 87 Ca 0.06 0.04 0.19 0.00 0.02 0.00 0.00 57.03 57.34 1h38 h ASP 87 Cb 0.62 0.11 -0.09 0.00 0.22 0.00 0.00 39.33 40.20 1h38 h ASP 87 CO -0.33 -0.17 0.61 -0.25 -1.72 0.00 0.00 179.24 177.38 1h38 h TRP 88 N -0.24 0.89 -0.61 4.55 2.91 -0.40 0.86 115.95 123.90 1h38 h TRP 88 Ca 0.01 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 59.98 1h38 h TRP 88 Cb 0.24 -0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 28.60 1h38 h TRP 88 CO -0.13 0.23 0.07 0.74 -1.03 0.00 0.00 178.44 178.32 1h38 h PHE 89 N 0.66 1.08 -0.02 2.65 -1.00 0.17 -2.64 116.94 117.84 1h38 h PHE 89 Ca 0.53 -0.15 -0.17 0.00 2.81 0.00 0.00 57.97 60.99 1h38 h PHE 89 Cb 0.96 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 40.21 1h38 h PHE 89 CO -0.00 0.93 -0.74 0.93 -1.61 0.00 0.00 178.31 177.81 1h38 h GLU 90 N 0.95 0.14 -0.43 1.51 5.08 -0.74 -2.57 114.58 118.52 1h38 h GLU 90 Ca 0.19 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 1h38 h GLU 90 Cb 0.45 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1h38 h GLU 90 CO 0.02 0.82 0.04 0.93 -1.00 0.00 0.00 179.01 179.81 1h38 h GLU 91 N 0.09 0.67 0.11 2.33 5.08 -0.68 -1.41 114.58 120.77 1h38 h GLU 91 Ca -0.02 -0.15 -0.28 0.00 -1.00 0.00 0.00 59.36 57.91 1h38 h GLU 91 Cb 1.31 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 30.48 1h38 h GLU 91 CO 0.11 0.67 -1.20 0.28 -1.00 0.00 0.00 179.01 177.87 1h38 h VAL 92 N 0.64 1.36 0.00 3.13 2.07 -1.43 -3.27 116.25 118.76 1h38 h VAL 92 Ca 0.14 -2.62 -0.05 0.00 0.82 0.00 0.00 66.70 64.98 1h38 h VAL 92 Cb 0.35 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1h38 h VAL 92 CO 0.01 0.78 -0.26 0.11 0.02 0.00 0.00 177.57 178.24 1h38 h LYS 93 N 0.21 0.00 -0.84 1.57 1.57 -1.24 -2.42 116.57 115.42 1h38 h LYS 93 Ca -0.16 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 1h38 h LYS 93 Cb 1.87 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.14 1h38 h LYS 93 CO 0.22 0.26 0.08 0.00 -0.57 0.00 0.00 179.45 179.44 1h38 n ALA 94 N -2.44 3.42 -3.72 3.86 0.00 -0.55 -4.79 120.51 116.30 1h38 n ALA 94 Ca -0.02 -1.10 -0.13 0.00 0.00 0.00 0.00 53.44 52.19 1h38 n ALA 94 Cb 0.32 -1.11 -0.14 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.84 0.15 0.85 0.00 1.02 -0.91 -5.05 119.74 113.96 1h38 s LYS 95 Ca 0.28 0.51 -0.12 0.00 0.02 0.00 0.00 55.97 56.66 1h38 s LYS 95 Cb 0.22 -0.14 0.11 0.00 -0.52 0.00 0.00 37.83 37.49 1h38 s LYS 95 CO 0.07 -0.19 1.17 1.03 -0.92 0.00 0.00 175.35 176.51 1h38 s ARG 96 N 1.48 1.60 0.00 1.68 3.00 -1.26 -4.93 118.95 120.51 1h38 s ARG 96 Ca -0.07 0.16 0.00 0.00 0.00 0.00 0.00 55.73 55.82 1h38 s ARG 96 Cb -0.11 -1.90 0.00 0.00 0.00 0.00 0.00 34.95 32.94 1h38 s ARG 96 CO -0.08 -1.86 0.00 0.41 0.00 0.00 0.00 175.30 173.78 1h38 n GLY 97 N -2.91 2.25 3.47 -3.53 0.00 -1.26 -4.93 105.19 98.28 1h38 n GLY 97 Ca 0.08 -1.69 -0.55 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 0.81 -0.68 1.61 4.81 -1.26 -4.89 118.16 120.38 1h38 n LYS 98 Ca 0.00 0.25 -0.31 0.00 -0.87 0.00 0.00 58.31 57.37 1h38 n LYS 98 Cb 0.00 -2.12 0.17 0.00 0.02 0.00 0.00 35.03 33.10 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 7.23 -0.86 -1.21 1.64 3.00 -1.26 -4.95 116.66 120.26 1h38 n ARG 99 Ca 0.41 -0.20 -0.33 0.00 -0.01 0.00 0.00 57.85 57.71 1h38 n ARG 99 Cb 0.13 -2.08 0.11 0.00 0.00 0.00 0.00 32.46 30.63 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 -4.10 1.83 0.13 5.56 0.04 -1.26 -4.92 135.00 132.27 1h38 s PRO 100 Ca 0.62 1.65 -0.20 0.00 0.04 0.00 0.00 61.00 63.11 1h38 s PRO 100 Cb -0.21 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1h38 s PRO 100 CO 0.63 -2.05 1.70 1.15 0.04 0.00 0.00 177.00 178.47 1h38 h THR 101 N -0.82 0.77 0.09 1.26 2.02 -1.98 -2.97 112.91 111.29 1h38 h THR 101 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1h38 h THR 101 Cb 1.28 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 1h38 h THR 101 CO 0.47 0.00 -0.09 0.00 0.37 0.00 0.00 175.52 176.27 1h38 h ALA 102 N 1.16 -0.18 -1.10 6.16 0.00 -1.92 -2.83 119.26 120.54 1h38 h ALA 102 Ca 0.10 -0.02 0.34 0.00 0.00 0.00 0.00 54.91 55.33 1h38 h ALA 102 Cb 0.17 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 17.96 1h38 h ALA 102 CO -0.21 -0.61 0.67 0.35 0.00 0.00 0.00 179.25 179.44 1h38 h PHE 103 N -0.21 0.76 -0.21 0.00 3.57 -1.90 -0.89 116.94 118.06 1h38 h PHE 103 Ca 0.01 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.59 1h38 h PHE 103 Cb 0.20 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 1h38 h PHE 103 CO -0.11 -0.14 -0.20 1.96 -2.23 0.00 0.00 178.31 177.59 1h38 h GLN 104 N 0.27 -0.20 0.00 1.11 1.08 -1.41 -2.86 115.11 113.10 1h38 h GLN 104 Ca 0.73 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.93 1h38 h GLN 104 Cb 1.90 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 29.37 1h38 h GLN 104 CO -0.50 -0.13 -0.11 0.74 -0.95 0.00 0.00 178.83 177.88 1h38 h PHE 105 N -0.21 0.00 0.00 2.96 0.05 -1.34 -3.32 116.94 115.09 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 0.40 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.35 1h38 h PHE 105 CO -0.34 1.03 0.16 1.28 -0.18 0.00 0.00 178.31 180.26 1h38 n LEU 106 N -4.60 0.00 0.03 1.54 4.77 -0.60 -0.02 117.00 118.12 1h38 n LEU 106 Ca -0.12 0.25 0.13 0.00 -0.03 0.00 0.00 56.01 56.24 1h38 n LEU 106 Cb 0.49 -0.25 0.34 0.00 -2.33 0.00 0.00 43.42 41.67 1h38 n LEU 106 CO 0.32 -0.25 0.60 1.67 -1.33 0.00 0.00 177.39 178.40 1h38 n GLN 107 N -1.21 0.10 -0.05 3.23 7.27 -1.08 -4.07 117.38 121.56 1h38 n GLN 107 Ca 0.00 0.04 -0.17 0.00 0.07 0.00 0.00 57.00 56.94 1h38 n GLN 107 Cb 0.16 -1.58 -0.14 0.00 2.41 0.00 0.00 30.24 31.09 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 -1.73 0.70 -2.83 3.69 -0.58 0.97 -4.91 120.64 115.94 1h38 n GLU 108 Ca 0.05 0.20 -0.41 0.00 -0.42 0.00 0.00 57.16 56.59 1h38 n GLU 108 Cb 0.37 -1.65 -0.04 0.00 -0.57 0.00 0.00 31.44 29.56 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 -2.55 4.91 -0.20 -3.67 1.09 -1.25 -4.97 121.20 114.57 1h38 s ILE 109 Ca -0.22 1.81 -0.40 0.00 -1.10 0.00 0.00 60.65 60.74 1h38 s ILE 109 Cb 0.07 -4.21 -0.16 0.00 -1.06 0.00 0.00 42.46 37.11 1h38 s ILE 109 CO 0.73 0.15 1.64 1.17 -0.10 0.00 0.00 174.94 178.53 1h38 n LYS 110 N 4.21 1.08 -0.31 2.79 4.81 -1.26 -4.72 118.16 124.77 1h38 n LYS 110 Ca 0.04 0.40 0.10 0.00 -0.87 0.00 0.00 58.31 57.97 1h38 n LYS 110 Cb 0.50 -2.06 0.22 0.00 0.02 0.00 0.00 35.03 33.72 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 6.45 0.06 -0.37 1.64 0.13 -1.93 -0.44 132.00 137.54 1h38 h PRO 111 Ca -0.47 -0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.74 1h38 h PRO 111 Cb 1.33 -0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.36 1h38 h PRO 111 CO 0.91 0.04 -0.19 0.93 -0.23 0.00 0.00 178.00 179.47 1h38 h GLU 112 N 0.06 -0.12 -0.66 0.86 3.07 -1.95 0.11 114.58 115.96 1h38 h GLU 112 Ca 0.51 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.33 1h38 h GLU 112 Cb 0.98 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.88 1h38 h GLU 112 CO -0.80 -0.08 0.23 0.00 -1.40 0.00 0.00 179.01 176.95 1h38 h ALA 113 N 1.13 1.16 0.27 3.43 0.00 -1.47 -1.96 119.26 121.82 1h38 h ALA 113 Ca 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1h38 h ALA 113 Cb 0.41 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1h38 h ALA 113 CO -0.45 0.59 -0.13 0.28 0.00 0.00 0.00 179.25 179.54 1h38 h VAL 114 N 0.96 0.76 -0.04 0.00 2.07 -0.23 0.33 116.25 120.08 1h38 h VAL 114 Ca 0.22 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.66 1h38 h VAL 114 Cb 0.24 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 1h38 h VAL 114 CO -0.01 0.02 -0.41 0.00 0.02 0.00 0.00 177.57 177.19 1h38 h ALA 115 N 0.31 -0.63 0.30 1.67 0.00 -0.68 -1.99 119.26 118.24 1h38 h ALA 115 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1h38 h ALA 115 Cb 0.31 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1h38 h ALA 115 CO 0.06 -0.94 -0.29 -0.92 0.00 0.00 0.00 179.25 177.16 1h38 h TYR 116 N -0.54 -0.77 -0.85 0.00 3.20 -1.24 -2.31 116.97 114.45 1h38 h TYR 116 Ca 0.06 0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.15 1h38 h TYR 116 Cb 0.64 0.30 -0.14 0.00 1.54 0.00 0.00 36.73 39.07 1h38 h TYR 116 CO -0.44 -0.42 0.15 0.82 -1.64 0.00 0.00 178.16 176.63 1h38 h ILE 117 N -0.61 0.31 0.69 1.81 2.04 -0.14 -0.44 117.51 121.17 1h38 h ILE 117 Ca -0.01 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1h38 h ILE 117 Cb 0.56 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1h38 h ILE 117 CO -0.05 0.03 -0.45 0.74 0.00 0.00 0.00 178.15 178.42 1h38 h THR 118 N 0.16 0.10 -0.32 -0.27 2.02 -0.97 -1.42 112.91 112.21 1h38 h THR 118 Ca 0.51 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.76 1h38 h THR 118 Cb 0.99 0.10 -0.08 0.00 -1.74 0.00 0.00 68.15 67.42 1h38 h THR 118 CO -0.67 0.00 -0.28 0.40 0.37 0.00 0.00 175.52 175.33 1h38 h ILE 119 N -1.08 0.30 0.94 3.11 1.08 -0.60 -0.06 117.51 121.20 1h38 h ILE 119 Ca -0.09 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.34 1h38 h ILE 119 Cb 0.88 0.30 0.01 0.00 -3.07 0.00 0.00 36.82 34.94 1h38 h ILE 119 CO 0.08 0.00 -0.45 0.50 -0.69 0.00 0.00 178.15 177.59 1h38 h LYS 120 N -0.25 -1.21 -0.43 2.37 3.11 -1.20 -2.66 116.57 116.29 1h38 h LYS 120 Ca 0.16 0.08 0.07 0.00 -2.81 0.00 0.00 60.65 58.15 1h38 h LYS 120 Cb 0.50 0.28 -0.02 0.00 -1.00 0.00 0.00 32.23 31.99 1h38 h LYS 120 CO -0.47 -0.81 0.29 1.15 -2.81 0.00 0.00 179.45 176.81 1h38 h THR 121 N -1.26 0.93 0.88 1.00 2.02 -1.13 -1.99 112.91 113.35 1h38 h THR 121 Ca -0.13 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 1h38 h THR 121 Cb 0.96 0.62 0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1h38 h THR 121 CO 0.21 0.05 -0.42 0.74 0.37 0.00 0.00 175.52 176.47 1h38 h THR 122 N 0.28 0.00 -0.90 3.16 2.02 -0.89 -2.72 112.91 113.86 1h38 h THR 122 Ca 0.19 -0.05 0.24 0.00 0.77 0.00 0.00 66.41 67.57 1h38 h THR 122 Cb 0.41 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.77 1h38 h THR 122 CO -0.04 0.00 0.63 -0.07 0.37 0.00 0.00 175.52 176.40 1h38 h LEU 123 N -1.23 0.18 -0.45 2.58 3.38 -1.09 0.23 115.31 118.91 1h38 h LEU 123 Ca -0.12 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1h38 h LEU 123 Cb 0.90 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1h38 h LEU 123 CO 0.20 0.06 -0.11 0.00 0.09 0.00 0.00 178.44 178.68 1h38 h ALA 124 N 1.58 0.62 -0.06 1.53 0.00 -1.25 -2.49 119.26 119.20 1h38 h ALA 124 Ca 0.45 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1h38 h ALA 124 Cb 1.49 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1h38 h ALA 124 CO -0.09 0.51 -0.07 0.00 0.00 0.00 0.00 179.25 179.61 1h38 h LEU 126 N -0.32 0.35 -3.03 0.00 3.38 -0.94 0.13 115.31 114.88 1h38 h LEU 126 Ca 0.01 0.03 -0.27 0.00 0.09 0.00 0.00 57.88 57.74 1h38 h LEU 126 Cb 0.59 -0.04 -0.16 0.00 0.09 0.00 0.00 40.66 41.14 1h38 h LEU 126 CO 0.02 0.16 0.34 0.35 0.09 0.00 0.00 178.44 179.40 1h38 n THR 127 N -4.47 2.14 -3.87 0.22 -2.24 -0.94 -4.88 114.28 100.24 1h38 n THR 127 Ca 0.16 -1.00 -0.34 0.00 -2.27 0.00 0.00 64.05 60.60 1h38 n THR 127 Cb 0.63 -0.74 -0.05 0.00 -2.10 0.00 0.00 70.33 68.07 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 -0.17 6.40 0.18 3.42 0.15 0.46 -4.86 113.70 119.27 1h38 s SER 128 Ca 0.29 0.42 -0.27 0.00 0.70 0.00 0.00 55.95 57.09 1h38 s SER 128 Cb 0.25 -2.03 0.02 0.00 -1.71 0.00 0.00 66.02 62.54 1h38 s SER 128 CO 0.06 0.29 1.55 0.00 1.20 0.00 0.00 173.24 176.33 1h38 h ALA 129 N 4.05 -0.37 0.00 5.45 0.00 -1.90 -3.42 119.26 123.07 1h38 h ALA 129 Ca -0.50 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1h38 h ALA 129 Cb 1.20 1.22 0.00 0.00 0.00 0.00 0.00 17.79 20.21 1h38 h ALA 129 CO 0.66 -0.88 0.00 -0.25 0.00 0.00 0.00 179.25 178.79 1h38 n ASP 130 N -5.33 0.27 -4.67 0.00 8.00 -1.26 -5.07 116.55 108.49 1h38 n ASP 130 Ca 0.04 0.34 -0.46 0.00 0.71 0.00 0.00 54.79 55.42 1h38 n ASP 130 Cb 0.31 0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.50 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 -3.41 3.74 -0.44 -2.24 2.85 -1.26 -4.78 115.26 109.73 1h38 n ASN 131 Ca 0.00 0.95 0.00 0.00 -0.11 0.00 0.00 54.58 55.42 1h38 n ASN 131 Cb 0.00 -1.43 0.00 0.00 1.24 0.00 0.00 39.78 39.59 1h38 n ASN 131 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1h38 n THR 132 N 5.30 0.00 -1.71 -0.44 -2.24 -1.26 -4.77 114.28 109.15 1h38 n THR 132 Ca 0.22 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.57 1h38 n THR 132 Cb 0.34 0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 69.02 1h38 n THR 132 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1h38 n THR 133 N 0.00 1.52 0.32 4.28 -2.24 -1.26 -0.50 114.28 116.40 1h38 n THR 133 Ca 0.00 -0.38 0.03 0.00 -2.27 0.00 0.00 64.05 61.43 1h38 n THR 133 Cb 0.64 -1.69 0.17 0.00 -2.10 0.00 0.00 70.33 67.35 1h38 n THR 133 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1h38 n VAL 134 N 1.13 0.73 -0.06 2.28 3.14 -1.16 -2.16 118.33 122.23 1h38 n VAL 134 Ca 0.07 0.18 -0.05 0.00 -2.96 0.00 0.00 64.34 61.58 1h38 n VAL 134 Cb 0.35 -1.08 -0.03 0.00 -1.06 0.00 0.00 33.84 32.02 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 -0.32 1.45 5.75 -1.89 -3.13 115.11 116.98 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 0.23 0.05 0.00 -2.65 0.00 0.00 178.83 176.45 1h38 h ALA 136 N -0.81 0.42 -0.20 3.38 0.00 -1.87 -2.84 119.26 117.34 1h38 h ALA 136 Ca -0.02 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1h38 h ALA 136 Cb 0.35 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1h38 h ALA 136 CO -0.01 0.12 -0.14 0.28 0.00 0.00 0.00 179.25 179.50 1h38 h VAL 137 N 0.35 0.59 -0.95 0.00 2.07 -1.63 -0.47 116.25 116.21 1h38 h VAL 137 Ca 0.10 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.71 1h38 h VAL 137 Cb 0.36 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 1h38 h VAL 137 CO 0.01 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.21 1h38 h ALA 138 N 0.99 1.55 -0.17 1.67 0.00 -1.51 -0.85 119.26 120.93 1h38 h ALA 138 Ca 0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1h38 h ALA 138 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1h38 h ALA 138 CO -0.29 0.26 0.04 0.66 0.00 0.00 0.00 179.25 179.92 1h38 h SER 139 N 0.99 0.27 0.11 0.00 4.64 -1.11 -2.28 113.55 116.17 1h38 h SER 139 Ca 0.44 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1h38 h SER 139 Cb 0.37 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1h38 h SER 139 CO -0.20 0.44 -0.28 0.00 -0.87 0.00 0.00 176.83 175.93 1h38 h ALA 140 N 0.84 -0.83 -0.69 5.18 0.00 -0.09 0.40 119.26 124.07 1h38 h ALA 140 Ca 0.05 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.04 1h38 h ALA 140 Cb 0.28 0.65 -0.11 0.00 0.00 0.00 0.00 17.79 18.61 1h38 h ALA 140 CO 0.00 -0.89 0.09 0.82 0.00 0.00 0.00 179.25 179.28 1h38 h ILE 141 N -0.43 0.49 -0.11 0.00 2.04 -1.25 0.31 117.51 118.57 1h38 h ILE 141 Ca -0.01 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1h38 h ILE 141 Cb 0.41 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1h38 h ILE 141 CO -0.12 0.04 0.07 1.23 0.00 0.00 0.00 178.15 179.36 1h38 h GLY 142 N 0.19 0.16 0.43 5.37 0.00 -1.02 0.14 103.07 108.35 1h38 h GLY 142 Ca 0.37 -0.06 0.13 0.00 0.00 0.00 0.00 47.33 47.77 1h38 h GLY 142 CO -0.53 0.06 0.61 -0.09 0.00 0.00 0.00 176.54 176.60 1h38 h ARG 143 N 0.13 0.92 -0.27 4.80 9.65 0.96 0.12 114.38 130.69 1h38 h ARG 143 Ca 0.04 -0.06 -0.17 0.00 -1.10 0.00 0.00 59.98 58.70 1h38 h ARG 143 Cb 0.02 -0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 28.38 1h38 h ARG 143 CO -0.01 0.61 -0.49 0.00 2.80 0.00 0.00 179.97 182.88 1h38 h ALA 144 N 1.54 0.61 -0.23 2.80 0.00 -0.50 -2.51 119.26 120.96 1h38 h ALA 144 Ca 0.50 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1h38 h ALA 144 Cb 0.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1h38 h ALA 144 CO -0.28 0.68 -0.08 0.82 0.00 0.00 0.00 179.25 180.39 1h38 h ILE 145 N 0.59 1.29 -0.24 0.00 1.08 0.46 -2.65 117.51 118.05 1h38 h ILE 145 Ca 0.03 -1.12 0.05 0.00 -0.39 0.00 0.00 64.86 63.43 1h38 h ILE 145 Cb 1.07 1.54 -0.05 0.00 -3.07 0.00 0.00 36.82 36.30 1h38 h ILE 145 CO 0.11 0.35 -0.08 -0.08 -0.69 0.00 0.00 178.15 177.75 1h38 h GLU 146 N 0.20 -0.03 -0.75 2.37 4.81 -0.83 0.13 114.58 120.47 1h38 h GLU 146 Ca 0.06 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.40 1h38 h GLU 146 Cb 0.56 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.87 1h38 h GLU 146 CO 0.03 -0.02 0.37 -0.44 -0.73 0.00 0.00 179.01 178.22 1h38 h ASP 147 N -0.03 0.46 -0.29 1.04 3.32 -1.45 0.84 116.42 120.31 1h38 h ASP 147 Ca 0.12 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 1h38 h ASP 147 Cb 0.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1h38 h ASP 147 CO -0.26 0.24 0.05 -0.08 -1.72 0.00 0.00 179.24 177.47 1h38 h GLU 148 N 0.59 0.48 -0.57 3.56 4.57 -0.86 -0.76 114.58 121.59 1h38 h GLU 148 Ca 0.39 -0.12 -0.10 0.00 -1.18 0.00 0.00 59.36 58.34 1h38 h GLU 148 Cb 0.47 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 1h38 h GLU 148 CO -0.31 0.57 -0.03 0.00 -1.18 0.00 0.00 179.01 178.06 1h38 h ALA 149 N 0.88 0.77 0.49 2.92 0.00 -0.26 0.21 119.26 124.27 1h38 h ALA 149 Ca 0.09 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1h38 h ALA 149 Cb 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1h38 h ALA 149 CO 0.00 0.63 -0.24 -0.09 0.00 0.00 0.00 179.25 179.56 1h38 h ARG 150 N 0.91 -0.63 0.00 0.00 2.43 -0.79 -3.11 114.38 113.19 1h38 h ARG 150 Ca 0.16 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1h38 h ARG 150 Cb 0.59 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1h38 h ARG 150 CO 0.04 -0.42 -0.11 0.74 -1.51 0.00 0.00 179.97 178.70 1h38 h PHE 151 N -1.03 0.00 -0.14 2.20 0.04 -1.25 -3.08 116.94 113.68 1h38 h PHE 151 Ca -0.07 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.60 1h38 h PHE 151 Cb 0.50 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 1h38 h PHE 151 CO 0.02 0.00 -0.37 0.78 -0.60 0.00 0.00 178.31 178.14 1h38 h GLY 152 N 4.40 0.32 0.38 -1.45 0.00 -0.68 -2.52 103.07 103.51 1h38 h GLY 152 Ca 0.00 -0.29 0.20 0.00 0.00 0.00 0.00 47.33 47.24 1h38 h GLY 152 CO 0.00 0.26 0.58 -0.09 0.00 0.00 0.00 176.54 177.29 1h38 h ARG 153 N 0.25 0.35 0.10 4.80 2.43 -1.46 -0.75 114.38 120.10 1h38 h ARG 153 Ca 0.03 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1h38 h ARG 153 Cb 0.77 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1h38 h ARG 153 CO 0.06 0.23 -0.05 0.82 -1.51 0.00 0.00 179.97 179.52 1h38 h ILE 154 N 0.36 1.09 0.00 1.20 2.04 -1.61 -0.58 117.51 120.01 1h38 h ILE 154 Ca 0.44 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1h38 h ILE 154 Cb 1.15 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1h38 h ILE 154 CO -0.15 0.18 0.00 -1.14 0.00 0.00 0.00 178.15 177.04 1h38 n ARG 155 N -4.99 0.27 0.00 2.37 0.00 -0.39 -0.64 116.66 113.28 1h38 n ARG 155 Ca -0.08 0.10 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 1h38 n ARG 155 Cb 0.21 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.17 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 -1.16 0.00 0.00 6.15 8.00 -0.63 -4.84 116.55 124.08 1h38 n ASP 156 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1h38 n ASP 156 Cb 0.07 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 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 -2.45 0.06 -0.04 0.64 7.94 -0.25 -4.18 117.00 118.72 1h38 n LEU 157 Ca 0.00 0.07 -0.01 0.00 -1.11 0.00 0.00 56.01 54.96 1h38 n LEU 157 Cb 0.00 -0.44 -0.01 0.00 0.53 0.00 0.00 43.42 43.50 1h38 n LEU 157 CO 0.00 -0.44 0.25 -0.62 -1.11 0.00 0.00 177.39 175.47 1h38 n GLU 158 N -2.29 -0.05 -1.06 1.96 1.02 -1.19 0.27 120.64 119.31 1h38 n GLU 158 Ca 0.00 0.55 -0.24 0.00 -0.02 0.00 0.00 57.16 57.45 1h38 n GLU 158 Cb 0.00 -0.82 0.08 0.00 -0.02 0.00 0.00 31.44 30.68 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 -2.73 5.49 -0.24 0.62 0.00 0.19 -4.69 120.51 119.14 1h38 n ALA 159 Ca 0.00 -2.44 0.15 0.00 0.00 0.00 0.00 53.44 51.15 1h38 n ALA 159 Cb 0.03 -1.51 0.28 0.00 0.00 0.00 0.00 19.45 18.25 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 -0.37 -0.05 0.00 0.00 4.81 0.14 -0.14 118.16 122.55 1h38 n LYS 160 Ca 0.45 1.04 0.00 0.00 -0.87 0.00 0.00 58.31 58.93 1h38 n LYS 160 Cb 0.80 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 34.13 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 -4.84 0.00 0.00 5.64 8.25 -1.26 -4.66 115.22 118.35 1h38 n HIS 161 Ca 0.20 0.00 0.22 0.00 -0.26 0.00 0.00 57.72 57.88 1h38 n HIS 161 Cb 0.68 0.00 0.72 0.00 1.12 0.00 0.00 29.99 32.51 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 -0.20 4.41 -0.00 -1.76 -0.95 116.94 118.43 1h38 h PHE 162 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.97 58.03 1h38 h PHE 162 Cb 0.81 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.75 1h38 h PHE 162 CO 0.00 0.00 0.49 -0.22 -0.00 0.00 0.00 178.31 178.58 1h38 h LYS 163 N 0.00 0.00 -0.22 1.11 1.63 -0.80 -0.81 116.57 117.48 1h38 h LYS 163 Ca 0.26 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.06 1h38 h LYS 163 Cb 1.19 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.81 1h38 h LYS 163 CO -0.00 0.00 0.13 0.87 -3.45 0.00 0.00 179.45 177.00 1h38 h LYS 164 N 0.00 0.29 0.00 1.90 1.79 -1.42 0.25 116.57 119.39 1h38 h LYS 164 Ca 0.10 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1h38 h LYS 164 Cb 1.07 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 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 -0.31 -3.60 115.26 111.39 1h38 n ASN 165 Ca -0.03 -0.36 -0.05 0.00 1.68 0.00 0.00 54.58 55.82 1h38 n ASN 165 Cb 0.05 -0.05 -0.02 0.00 -1.54 0.00 0.00 39.78 38.22 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 -1.05 1.25 -0.39 2.41 0.31 -0.32 -4.59 118.33 115.95 1h38 n VAL 166 Ca 0.10 0.24 -0.10 0.00 -0.01 0.00 0.00 64.34 64.57 1h38 n VAL 166 Cb 0.06 -2.01 -0.09 0.00 -0.91 0.00 0.00 33.84 30.89 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 -3.95 -0.40 -0.31 5.55 1.02 0.74 0.07 120.64 123.36 1h38 n GLU 167 Ca -0.08 1.41 -0.03 0.00 -0.02 0.00 0.00 57.16 58.44 1h38 n GLU 167 Cb 0.31 -2.07 0.03 0.00 -0.02 0.00 0.00 31.44 29.68 1h38 n GLU 167 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1h38 h GLU 168 N 0.00 -0.06 0.00 3.49 5.08 -1.83 0.23 114.58 121.49 1h38 h GLU 168 Ca 0.15 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1h38 h GLU 168 Cb 0.38 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1h38 h GLU 168 CO -0.86 -0.04 -0.20 1.96 -1.00 0.00 0.00 179.01 178.86 1h38 h GLN 169 N -0.07 0.00 -0.02 2.33 4.20 -1.08 -2.29 115.11 118.19 1h38 h GLN 169 Ca 0.30 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.97 1h38 h GLN 169 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1h38 h GLN 169 CO -0.86 0.20 -0.17 1.25 -0.67 0.00 0.00 178.83 178.58 1h38 h LEU 170 N 0.00 0.18 -0.97 1.46 6.46 0.24 -2.69 115.31 119.99 1h38 h LEU 170 Ca -0.00 -0.71 -0.09 0.00 -0.12 0.00 0.00 57.88 56.95 1h38 h LEU 170 Cb 0.98 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.84 1h38 h LEU 170 CO 0.03 0.87 -0.28 0.78 -0.62 0.00 0.00 178.44 179.22 1h38 h ASN 171 N -0.49 0.41 -0.55 1.25 -0.26 -0.75 -1.54 115.58 113.65 1h38 h ASN 171 Ca -0.02 -0.14 0.10 0.00 -0.56 0.00 0.00 56.30 55.68 1h38 h ASN 171 Cb 0.88 -0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 38.00 1h38 h ASN 171 CO 0.03 0.69 0.38 0.11 -1.06 0.00 0.00 177.43 177.58 1h38 h LYS 172 N 0.36 0.32 -6.62 0.81 1.79 -1.44 -3.40 116.57 108.39 1h38 h LYS 172 Ca 0.05 -0.02 -0.51 0.00 -2.18 0.00 0.00 60.65 57.99 1h38 h LYS 172 Cb 0.68 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 1h38 h LYS 172 CO 0.05 0.21 0.42 1.03 -1.08 0.00 0.00 179.45 180.08 1h38 s ARG 173 N -5.32 4.65 0.06 3.15 1.81 -0.58 -5.05 118.95 117.67 1h38 s ARG 173 Ca -0.07 1.60 0.07 0.00 -1.72 0.00 0.00 55.73 55.61 1h38 s ARG 173 Cb 0.19 -3.32 -0.03 0.00 -0.45 0.00 0.00 34.95 31.35 1h38 s ARG 173 CO 0.74 0.15 -0.19 0.08 -0.68 0.00 0.00 175.30 175.40 1h38 s VAL 174 N -0.18 1.57 0.00 3.52 1.01 -1.26 -4.87 120.40 120.19 1h38 s VAL 174 Ca 0.48 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1h38 s VAL 174 Cb -0.27 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.71 1h38 s VAL 174 CO 0.33 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1h38 n GLY 175 N 1.59 -0.01 0.33 4.51 0.00 -1.26 -4.54 105.19 105.81 1h38 n GLY 175 Ca -0.18 -1.12 0.23 0.00 0.00 0.00 0.00 46.02 44.95 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 0.88 0.32 1.61 2.76 -1.95 -1.89 115.15 116.88 1h38 h HIS 176 Ca 0.00 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1h38 h HIS 176 Cb 0.00 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 1h38 h HIS 176 CO 0.00 -0.17 -0.30 0.28 -1.30 0.00 0.00 177.93 176.44 1h38 h VAL 177 N 0.32 0.00 0.00 5.26 2.07 -1.94 -2.26 116.25 119.70 1h38 h VAL 177 Ca 0.72 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 68.19 1h38 h VAL 177 Cb 1.61 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1h38 h VAL 177 CO -0.61 0.00 -0.22 1.88 0.02 0.00 0.00 177.57 178.65 1h38 h TYR 178 N -0.61 0.00 0.00 1.57 0.99 -1.69 -1.22 116.97 116.01 1h38 h TYR 178 Ca -0.04 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.66 1h38 h TYR 178 Cb 0.53 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.25 1h38 h TYR 178 CO -0.16 0.22 -0.14 0.87 -0.00 0.00 0.00 178.16 178.95 1h38 h LYS 179 N 0.00 0.00 0.24 4.88 1.57 -1.19 -1.96 116.57 120.11 1h38 h LYS 179 Ca -0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 1h38 h LYS 179 Cb 0.43 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.77 1h38 h LYS 179 CO 0.03 0.14 -1.56 -0.22 -0.57 0.00 0.00 179.45 177.26 1h38 h LYS 180 N 0.00 0.50 -0.38 3.15 3.64 -0.63 -2.98 116.57 119.86 1h38 h LYS 180 Ca -0.00 -0.85 0.05 0.00 -1.27 0.00 0.00 60.65 58.57 1h38 h LYS 180 Cb 0.40 0.32 -0.04 0.00 -0.41 0.00 0.00 32.23 32.49 1h38 h LYS 180 CO 0.02 1.41 0.13 0.00 -2.27 0.00 0.00 179.45 178.73 1h38 h ALA 181 N 0.15 0.44 -0.29 5.00 0.00 -1.02 0.13 119.26 123.67 1h38 h ALA 181 Ca -0.28 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1h38 h ALA 181 Cb 2.15 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.96 1h38 h ALA 181 CO 0.25 -0.27 0.10 0.35 0.00 0.00 0.00 179.25 179.68 1h38 h PHE 182 N 0.28 0.47 0.00 0.00 3.57 -1.48 -2.07 116.94 117.71 1h38 h PHE 182 Ca 0.18 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1h38 h PHE 182 Cb 0.16 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1h38 h PHE 182 CO -0.15 0.49 -0.16 0.52 -2.23 0.00 0.00 178.31 176.77 1h38 h MET 183 N 0.32 0.00 -0.01 1.11 2.86 -1.31 -0.83 114.93 117.07 1h38 h MET 183 Ca 0.10 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.67 1h38 h MET 183 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1h38 h MET 183 CO -0.00 0.16 -0.24 0.37 1.06 0.00 0.00 176.91 178.26 1h38 h GLN 184 N 0.00 0.17 -0.77 1.72 4.15 -0.67 -2.24 115.11 117.48 1h38 h GLN 184 Ca -0.00 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.24 1h38 h GLN 184 Cb 0.38 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.08 1h38 h GLN 184 CO 0.02 0.90 0.50 -0.39 -1.93 0.00 0.00 178.83 177.93 1h38 h VAL 185 N -0.48 1.21 0.08 2.39 -1.51 -1.20 -0.12 116.25 116.61 1h38 h VAL 185 Ca -0.03 -0.40 0.02 0.00 -1.23 0.00 0.00 66.70 65.06 1h38 h VAL 185 Cb 0.98 0.08 -0.04 0.00 -2.13 0.00 0.00 31.29 30.19 1h38 h VAL 185 CO 0.05 0.20 -0.25 0.58 -1.23 0.00 0.00 177.57 176.92 1h38 h VAL 186 N 1.05 0.44 -0.92 7.19 2.07 -1.21 -0.88 116.25 123.99 1h38 h VAL 186 Ca 0.28 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.88 1h38 h VAL 186 Cb -0.09 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.05 1h38 h VAL 186 CO -0.06 0.00 0.57 -0.08 0.02 0.00 0.00 177.57 178.02 1h38 h GLU 187 N -0.43 0.98 0.00 1.57 4.81 -0.98 0.29 114.58 120.81 1h38 h GLU 187 Ca 0.04 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1h38 h GLU 187 Cb 0.48 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1h38 h GLU 187 CO -0.17 0.65 -0.16 0.00 -0.73 0.00 0.00 179.01 178.60 1h38 h ALA 188 N 1.45 1.53 0.00 2.92 0.00 -0.37 -2.05 119.26 122.73 1h38 h ALA 188 Ca 0.41 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1h38 h ALA 188 Cb 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1h38 h ALA 188 CO -0.20 0.19 -0.57 0.22 0.00 0.00 0.00 179.25 178.90 1h38 h ASP 189 N 0.00 0.00 -1.00 0.00 -0.00 0.25 -3.16 116.42 112.51 1h38 h ASP 189 Ca -0.00 -0.31 0.22 0.00 -0.00 0.00 0.00 57.03 56.94 1h38 h ASP 189 Cb 0.32 0.00 -0.10 0.00 -0.00 0.00 0.00 39.33 39.55 1h38 h ASP 189 CO 0.02 0.97 0.62 0.24 -0.00 0.00 0.00 179.24 181.09 1h38 h MET 190 N -1.00 0.57 -0.14 0.28 2.86 -0.51 0.50 114.93 117.49 1h38 h MET 190 Ca -0.11 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.36 1h38 h MET 190 Cb 0.73 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1h38 h MET 190 CO -0.07 0.38 -0.50 -0.07 1.06 0.00 0.00 176.91 177.72 1h38 h LEU 191 N 0.59 0.41 -0.79 1.22 3.38 -1.50 0.68 115.31 119.31 1h38 h LEU 191 Ca 0.57 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1h38 h LEU 191 Cb 1.13 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1h38 h LEU 191 CO -0.34 0.84 0.00 0.77 0.09 0.00 0.00 178.44 179.80 1h38 h SER 192 N 0.30 0.00 0.00 -0.43 4.64 -0.04 -3.42 113.55 114.60 1h38 h SER 192 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1h38 h SER 192 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1h38 h SER 192 CO 0.08 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.33 1h38 n LYS 193 N -2.31 0.00 0.00 4.77 5.02 -0.26 -5.07 118.16 120.31 1h38 n LYS 193 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1h38 n LYS 193 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.24 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 1.35 -2.94 3.65 0.72 0.00 0.24 -4.77 105.19 103.44 1h38 n GLY 194 Ca 0.00 -0.65 -0.52 0.00 0.00 0.00 0.00 46.02 44.84 1h38 n GLY 194 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h38 n LEU 195 N 0.00 2.27 -4.89 0.99 4.32 -1.21 -4.73 117.00 113.75 1h38 n LEU 195 Ca 0.00 1.08 -0.34 0.00 -0.02 0.00 0.00 56.01 56.74 1h38 n LEU 195 Cb 0.00 -1.23 -0.05 0.00 -1.62 0.00 0.00 43.42 40.52 1h38 n LEU 195 CO 0.00 -0.64 -0.07 -0.76 -1.22 0.00 0.00 177.39 174.69 1h38 s LEU 196 N 1.87 4.36 0.00 2.23 1.43 -1.26 -3.99 118.68 123.32 1h38 s LEU 196 Ca 0.89 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 54.49 1h38 s LEU 196 Cb -0.92 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 42.54 1h38 s LEU 196 CO 0.52 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.93 1h38 n GLY 197 N 0.91 -0.57 0.00 -3.19 0.00 -1.26 -5.13 105.19 95.95 1h38 n GLY 197 Ca -0.10 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.47 0.00 -0.02 0.00 -1.26 -5.09 105.19 99.29 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 -0.16 1.61 2.13 -1.26 -5.07 120.64 117.90 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 1.81 0.00 4.31 0.00 -1.26 -2.82 120.51 122.55 1h38 n ALA 200 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1h38 n ALA 200 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.06 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 3.58 0.00 0.23 0.00 7.02 -1.26 -4.61 117.44 122.40 1h38 n TRP 201 Ca 0.08 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.65 1h38 n TRP 201 Cb 0.10 0.00 0.58 0.00 -2.42 0.00 0.00 31.31 29.56 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 0.78 -0.99 0.87 -1.99 -0.10 113.55 112.12 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 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1h38 h SER 202 CO 0.00 0.20 -0.43 -1.28 -0.53 0.00 0.00 176.83 174.80 1h38 h SER 203 N 0.00 0.00 -0.10 6.23 0.87 -1.83 -3.38 113.55 115.35 1h38 h SER 203 Ca -0.00 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 60.07 1h38 h SER 203 Cb 0.48 0.00 0.06 0.00 -0.44 0.00 0.00 62.40 62.49 1h38 h SER 203 CO 0.03 0.43 1.48 0.79 -0.53 0.00 0.00 176.83 179.02 1h38 n TRP 204 N -3.61 1.32 -1.81 2.24 7.02 -0.05 -4.90 117.44 117.65 1h38 n TRP 204 Ca -0.00 -1.11 -0.38 0.00 -1.02 0.00 0.00 57.50 54.98 1h38 n TRP 204 Cb 0.53 -1.70 0.04 0.00 -2.42 0.00 0.00 31.31 27.76 1h38 n TRP 204 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1h38 s HIS 205 N 8.44 2.27 0.09 -5.99 2.46 -1.26 -4.72 115.29 116.58 1h38 s HIS 205 Ca 0.66 1.41 0.00 0.00 0.47 0.00 0.00 55.06 57.61 1h38 s HIS 205 Cb 0.09 -3.74 0.02 0.00 -0.13 0.00 0.00 32.58 28.82 1h38 s HIS 205 CO 0.20 -2.80 0.62 0.36 -2.47 0.00 0.00 174.74 170.65 1h38 n LYS 206 N -1.22 0.01 0.33 2.88 0.00 -1.26 -0.35 118.16 118.54 1h38 n LYS 206 Ca 0.12 0.19 -0.13 0.00 -0.00 0.00 0.00 58.31 58.48 1h38 n LYS 206 Cb 0.46 -2.09 -0.06 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 -0.85 -0.66 -1.58 5.08 -1.95 -2.51 114.58 112.11 1h38 h GLU 207 Ca 0.00 0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.54 1h38 h GLU 207 Cb 1.14 0.19 -0.09 0.00 0.50 0.00 0.00 28.75 30.49 1h38 h GLU 207 CO 0.00 -0.56 0.20 -0.44 -1.00 0.00 0.00 179.01 177.20 1h38 h ASP 208 N -1.14 0.12 -0.26 1.42 3.32 -1.00 -1.59 116.42 117.28 1h38 h ASP 208 Ca -0.09 0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.11 1h38 h ASP 208 Cb 0.67 0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.27 1h38 h ASP 208 CO 0.15 0.05 -0.51 0.28 -1.72 0.00 0.00 179.24 177.49 1h38 h SER 209 N 0.34 -1.66 0.27 6.45 0.02 -1.55 0.02 113.55 117.44 1h38 h SER 209 Ca 0.35 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.52 1h38 h SER 209 Cb 0.53 0.67 -0.03 0.00 0.14 0.00 0.00 62.40 63.72 1h38 h SER 209 CO -0.40 -0.44 -0.31 0.40 -1.14 0.00 0.00 176.83 174.94 1h38 h ILE 210 N -0.48 0.34 -0.86 3.27 1.08 -0.90 -1.40 117.51 118.56 1h38 h ILE 210 Ca 0.07 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.75 1h38 h ILE 210 Cb 0.64 0.34 -0.15 0.00 -3.07 0.00 0.00 36.82 34.58 1h38 h ILE 210 CO -0.50 0.00 0.04 0.45 -0.69 0.00 0.00 178.15 177.45 1h38 h HIS 211 N -0.63 -0.00 0.89 1.37 3.86 -0.92 0.33 115.15 120.05 1h38 h HIS 211 Ca -0.01 0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1h38 h HIS 211 Cb 0.59 0.14 0.01 0.00 1.06 0.00 0.00 27.41 29.21 1h38 h HIS 211 CO -0.21 -0.30 -0.46 0.28 0.86 0.00 0.00 177.93 178.10 1h38 h VAL 212 N 0.09 0.00 -0.84 2.45 2.07 -0.53 -1.68 116.25 117.81 1h38 h VAL 212 Ca 0.49 0.00 0.20 0.00 0.82 0.00 0.00 66.70 68.22 1h38 h VAL 212 Cb 0.94 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.59 1h38 h VAL 212 CO -0.76 0.00 0.26 1.23 0.02 0.00 0.00 177.57 178.33 1h38 h GLY 213 N -1.24 1.30 0.93 2.17 0.00 0.13 -1.94 103.07 104.42 1h38 h GLY 213 Ca -0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1h38 h GLY 213 CO 0.18 -0.28 -0.11 -2.08 0.00 0.00 0.00 176.54 174.25 1h38 h VAL 214 N 0.29 0.80 -0.98 4.60 2.07 -0.31 -2.02 116.25 120.69 1h38 h VAL 214 Ca 0.51 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.93 1h38 h VAL 214 Cb 0.95 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 1h38 h VAL 214 CO -0.57 0.03 0.64 -0.09 0.02 0.00 0.00 177.57 177.60 1h38 h ARG 215 N -0.39 1.14 0.49 1.57 9.65 -0.57 -1.97 114.38 124.30 1h38 h ARG 215 Ca -0.03 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.76 1h38 h ARG 215 Cb 0.30 -0.26 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 1h38 h ARG 215 CO 0.05 0.75 -0.24 0.00 2.80 0.00 0.00 179.97 183.34 1h38 h ILE 217 N -0.71 0.64 0.81 0.00 2.04 -1.06 0.39 117.51 119.61 1h38 h ILE 217 Ca -0.07 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 1h38 h ILE 217 Cb 0.53 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1h38 h ILE 217 CO 0.11 0.11 -0.39 -0.33 0.00 0.00 0.00 178.15 177.65 1h38 h GLU 218 N 0.58 -1.04 -0.65 2.37 5.08 -0.96 -0.08 114.58 119.88 1h38 h GLU 218 Ca 0.57 0.07 0.09 0.00 -1.00 0.00 0.00 59.36 59.09 1h38 h GLU 218 Cb 1.14 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 30.58 1h38 h GLU 218 CO -0.33 -0.69 0.43 0.52 -1.00 0.00 0.00 179.01 177.94 1h38 h MET 219 N -1.09 0.49 0.07 2.33 2.86 0.03 0.21 114.93 119.83 1h38 h MET 219 Ca -0.11 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1h38 h MET 219 Cb 0.83 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1h38 h MET 219 CO 0.18 0.32 -0.03 1.25 1.06 0.00 0.00 176.91 179.69 1h38 h LEU 220 N 0.50 -0.08 -1.31 1.22 5.85 0.14 0.20 115.31 121.84 1h38 h LEU 220 Ca 0.30 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1h38 h LEU 220 Cb 0.50 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1h38 h LEU 220 CO -0.09 0.07 -0.20 0.40 -0.34 0.00 0.00 178.44 178.29 1h38 h ILE 221 N -0.23 0.53 0.16 4.05 2.04 -0.28 -1.76 117.51 122.02 1h38 h ILE 221 Ca -0.01 -0.97 -0.23 0.00 1.00 0.00 0.00 64.86 64.65 1h38 h ILE 221 Cb 0.20 1.66 0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1h38 h ILE 221 CO 0.02 0.19 -1.00 -0.33 0.00 0.00 0.00 178.15 177.02 1h38 h GLU 222 N 0.00 0.35 0.09 2.37 5.08 -0.21 -3.38 114.58 118.88 1h38 h GLU 222 Ca -0.00 -0.59 -0.28 0.00 -1.00 0.00 0.00 59.36 57.48 1h38 h GLU 222 Cb 0.65 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1h38 h GLU 222 CO 0.03 1.28 -1.39 0.66 -1.00 0.00 0.00 179.01 178.59 1h38 h SER 223 N -0.26 0.29 -4.70 1.42 4.64 -0.61 -3.48 113.55 110.85 1h38 h SER 223 Ca -0.18 -0.37 -0.38 0.00 -0.47 0.00 0.00 61.79 60.39 1h38 h SER 223 Cb 1.77 -0.09 -0.14 0.00 -0.31 0.00 0.00 62.40 63.62 1h38 h SER 223 CO 0.17 1.30 -0.58 0.42 -0.87 0.00 0.00 176.83 177.27 1h38 s THR 224 N -2.64 0.38 -0.73 2.95 -4.23 -0.67 -4.84 115.64 105.87 1h38 s THR 224 Ca -0.06 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.49 1h38 s THR 224 Cb 0.08 -2.55 0.29 0.00 1.34 0.00 0.00 72.50 71.66 1h38 s THR 224 CO 0.85 0.00 1.04 0.61 -0.54 0.00 0.00 174.62 176.58 1h38 n GLY 225 N -0.52 5.25 0.10 3.99 0.00 -1.26 -3.95 105.19 108.81 1h38 n GLY 225 Ca 0.01 -2.75 -0.12 0.00 0.00 0.00 0.00 46.02 43.16 1h38 n GLY 225 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1h38 n MET 226 N 0.50 0.68 -4.52 1.61 0.00 -1.26 -4.67 117.12 109.45 1h38 n MET 226 Ca 0.31 0.13 -0.22 0.00 0.00 0.00 0.00 57.70 57.93 1h38 n MET 226 Cb 0.38 -1.62 -0.15 0.00 0.00 0.00 0.00 33.22 31.83 1h38 n MET 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1h38 s VAL 227 N -2.53 0.96 -0.11 1.12 -7.23 -1.26 0.16 120.40 111.51 1h38 s VAL 227 Ca -0.15 -0.48 -0.11 0.00 -1.81 0.00 0.00 61.98 59.44 1h38 s VAL 227 Cb 0.07 -0.83 -0.05 0.00 0.56 0.00 0.00 36.38 36.14 1h38 s VAL 227 CO 0.78 0.28 0.23 -0.44 -0.31 0.00 0.00 175.10 175.65 1h38 s SER 228 N -0.01 6.48 -1.00 4.85 0.01 0.95 -4.83 113.70 120.15 1h38 s SER 228 Ca -0.00 0.57 -0.05 0.00 1.31 0.00 0.00 55.95 57.78 1h38 s SER 228 Cb -0.08 -2.14 0.26 0.00 0.21 0.00 0.00 66.02 64.28 1h38 s SER 228 CO 0.00 0.30 1.04 -0.11 0.41 0.00 0.00 173.24 174.88 1h38 n LEU 229 N 2.43 5.09 -4.84 2.44 7.94 -1.26 -1.26 117.00 127.53 1h38 n LEU 229 Ca -0.16 -5.13 -0.28 0.00 -1.11 0.00 0.00 56.01 49.32 1h38 n LEU 229 Cb 0.53 -1.26 -0.05 0.00 0.53 0.00 0.00 43.42 43.18 1h38 n LEU 229 CO 0.35 1.53 -0.20 -1.38 -1.11 0.00 0.00 177.39 176.58 1h38 s HIS 230 N -1.66 3.29 0.46 1.96 -3.43 -1.23 -4.94 115.29 109.75 1h38 s HIS 230 Ca 0.30 0.09 -0.21 0.00 -0.80 0.00 0.00 55.06 54.44 1h38 s HIS 230 Cb -0.05 -1.62 -0.09 0.00 -1.43 0.00 0.00 32.58 29.40 1h38 s HIS 230 CO -0.06 0.53 1.05 0.50 -2.00 0.00 0.00 174.74 174.76 1h38 s ARG 231 N -2.79 3.89 -0.26 -0.38 6.06 -1.26 -3.06 118.95 121.14 1h38 s ARG 231 Ca 0.32 1.42 -0.02 0.00 -2.50 0.00 0.00 55.73 54.95 1h38 s ARG 231 Cb -0.11 -2.22 0.03 0.00 0.06 0.00 0.00 34.95 32.71 1h38 s ARG 231 CO 0.25 -0.37 -0.04 -0.65 -2.50 0.00 0.00 175.30 171.99 1h38 s GLN 232 N -3.02 2.74 -1.15 5.12 -1.52 -0.69 -4.70 119.66 116.44 1h38 s GLN 232 Ca 0.65 -1.04 -0.03 0.00 -1.95 0.00 0.00 55.36 52.98 1h38 s GLN 232 Cb -0.18 -3.04 -0.03 0.00 -0.22 0.00 0.00 33.01 29.53 1h38 s GLN 232 CO 0.23 -0.45 0.93 0.09 -0.25 0.00 0.00 175.29 175.83 1h38 n ASN 233 N 4.66 -3.94 -4.61 5.90 4.13 -1.26 -0.84 115.26 119.31 1h38 n ASN 233 Ca -0.16 -0.70 -0.43 0.00 1.68 0.00 0.00 54.58 54.98 1h38 n ASN 233 Cb 0.46 -4.96 -0.03 0.00 -1.54 0.00 0.00 39.78 33.71 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 -3.41 2.86 0.00 5.41 0.00 -1.26 -2.69 121.76 122.67 1h38 s ALA 234 Ca 0.21 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1h38 s ALA 234 Cb -0.03 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 19.06 1h38 s ALA 234 CO 0.75 -2.62 0.00 0.41 0.00 0.00 0.00 175.76 174.30 1h38 n GLY 235 N 5.51 1.07 3.03 0.00 0.00 -1.26 -5.04 105.19 108.51 1h38 n GLY 235 Ca 0.26 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.42 1.27 0.26 1.61 1.01 -1.10 -4.99 120.40 117.04 1h38 s VAL 236 Ca 0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 1h38 s VAL 236 Cb 0.00 -1.16 0.25 0.00 0.00 0.00 0.00 36.38 35.47 1h38 s VAL 236 CO 0.00 0.39 1.86 0.58 0.00 0.00 0.00 175.10 177.93 1h38 h VAL 237 N 5.97 1.03 -0.16 2.92 2.07 -1.95 -0.02 116.25 126.11 1h38 h VAL 237 Ca -0.30 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1h38 h VAL 237 Cb 1.18 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1h38 h VAL 237 CO 0.47 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.86 1h38 n GLY 238 N -1.35 4.02 0.00 2.17 0.00 -1.26 -4.61 105.19 104.16 1h38 n GLY 238 Ca 0.15 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 2.45 -1.79 1.61 6.02 -1.12 -4.95 117.38 118.95 1h38 n GLN 239 Ca 0.16 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.95 1h38 n GLN 239 Cb 0.68 -0.75 -0.08 0.00 1.02 0.00 0.00 30.24 31.11 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 -1.53 4.19 -0.20 1.08 -1.08 -0.04 -4.28 116.67 114.81 1h38 s ASP 240 Ca 0.00 -0.90 0.01 0.00 -0.52 0.00 0.00 52.55 51.14 1h38 s ASP 240 Cb 0.00 -2.58 0.03 0.00 -1.46 0.00 0.00 42.92 38.91 1h38 s ASP 240 CO 0.00 -3.86 -0.17 -0.44 0.52 0.00 0.00 175.17 171.22 1h38 s SER 241 N 8.40 3.41 -0.02 -0.34 0.01 -0.02 -4.93 113.70 120.21 1h38 s SER 241 Ca 0.79 -0.82 -0.30 0.00 1.31 0.00 0.00 55.95 56.93 1h38 s SER 241 Cb -0.06 -1.46 -0.05 0.00 0.21 0.00 0.00 66.02 64.66 1h38 s SER 241 CO 0.12 -0.06 1.46 -0.70 0.41 0.00 0.00 173.24 174.48 1h38 s GLU 242 N 1.27 4.25 0.03 12.44 2.12 -1.26 -1.71 118.70 135.84 1h38 s GLU 242 Ca 0.02 2.02 0.00 0.00 0.36 0.00 0.00 54.97 57.37 1h38 s GLU 242 Cb -0.15 -3.67 -0.00 0.00 0.26 0.00 0.00 34.13 30.57 1h38 s GLU 242 CO -0.11 -0.66 0.02 0.25 -0.54 0.00 0.00 175.26 174.22 1h38 n THR 243 N 4.89 0.00 -4.50 -1.70 -2.24 -1.17 -2.98 114.28 106.58 1h38 n THR 243 Ca 0.14 -0.21 -0.22 0.00 -2.27 0.00 0.00 64.05 61.48 1h38 n THR 243 Cb 0.43 0.09 -0.14 0.00 -2.10 0.00 0.00 70.33 68.61 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 -1.85 1.34 0.04 2.28 -1.09 0.34 -3.50 121.20 118.75 1h38 s ILE 244 Ca 0.03 -1.05 0.04 0.00 -2.23 0.00 0.00 60.65 57.44 1h38 s ILE 244 Cb 0.00 -1.18 -0.02 0.00 -1.58 0.00 0.00 42.46 39.68 1h38 s ILE 244 CO 0.02 0.11 -0.11 -1.61 -1.23 0.00 0.00 174.94 172.12 1h38 s GLU 245 N -1.08 0.73 0.09 2.79 8.01 -0.39 -4.81 118.70 124.03 1h38 s GLU 245 Ca 0.04 -0.69 -0.30 0.00 0.01 0.00 0.00 54.97 54.03 1h38 s GLU 245 Cb -0.08 -0.66 -0.06 0.00 -4.31 0.00 0.00 34.13 29.02 1h38 s GLU 245 CO 0.01 0.16 1.15 -1.17 0.01 0.00 0.00 175.26 175.42 1h38 s LEU 246 N -1.17 4.41 -0.32 1.80 2.96 -1.26 -0.04 118.68 125.06 1h38 s LEU 246 Ca -0.02 2.02 -0.41 0.00 -0.22 0.00 0.00 54.13 55.50 1h38 s LEU 246 Cb -0.08 -3.59 -0.16 0.00 0.50 0.00 0.00 46.19 42.87 1h38 s LEU 246 CO 0.01 -0.38 1.78 0.00 -1.32 0.00 0.00 176.35 176.44 1h38 n ALA 247 N 3.41 -0.22 -0.26 5.97 0.00 0.43 -4.81 120.51 125.03 1h38 n ALA 247 Ca 0.07 0.36 0.07 0.00 0.00 0.00 0.00 53.44 53.94 1h38 n ALA 247 Cb 0.47 -2.21 0.21 0.00 0.00 0.00 0.00 19.45 17.92 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 7.41 0.26 0.24 0.00 0.11 -1.91 -1.23 132.00 136.87 1h38 h PRO 248 Ca -0.43 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1h38 h PRO 248 Cb 1.33 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1h38 h PRO 248 CO 0.98 0.17 -0.11 0.93 -0.21 0.00 0.00 178.00 179.75 1h38 h GLU 249 N 0.27 -0.31 0.00 1.05 3.07 -1.96 -2.71 114.58 114.00 1h38 h GLU 249 Ca 0.45 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1h38 h GLU 249 Cb 0.80 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 1h38 h GLU 249 CO -0.54 -0.06 0.00 1.88 -1.40 0.00 0.00 179.01 178.89 1h38 h TYR 250 N -0.53 0.00 0.00 4.33 0.99 -1.75 0.12 116.97 120.13 1h38 h TYR 250 Ca -0.03 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.54 1h38 h TYR 250 Cb 0.39 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.10 1h38 h TYR 250 CO -0.00 0.00 -0.87 0.00 -0.00 0.00 0.00 178.16 177.29 1h38 h ALA 251 N 2.02 0.59 -0.03 3.88 0.00 -1.03 -3.22 119.26 121.46 1h38 h ALA 251 Ca 0.00 -0.71 -0.26 0.00 0.00 0.00 0.00 54.91 53.94 1h38 h ALA 251 Cb 0.10 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.90 1h38 h ALA 251 CO 0.00 0.91 -0.99 0.93 0.00 0.00 0.00 179.25 180.10 1h38 h GLU 252 N 0.00 0.72 0.47 0.00 5.08 -0.48 -2.59 114.58 117.78 1h38 h GLU 252 Ca -0.05 -0.73 -0.01 0.00 -1.00 0.00 0.00 59.36 57.57 1h38 h GLU 252 Cb 1.56 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 31.00 1h38 h GLU 252 CO 0.08 1.31 -0.33 0.00 -1.00 0.00 0.00 179.01 179.07 1h38 h ALA 253 N 0.45 -0.79 -0.37 3.43 0.00 -1.47 0.21 119.26 120.73 1h38 h ALA 253 Ca -0.11 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.73 1h38 h ALA 253 Cb 1.63 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 19.76 1h38 h ALA 253 CO 0.19 -0.96 -0.20 0.82 0.00 0.00 0.00 179.25 179.10 1h38 h ILE 254 N -0.78 0.42 -0.99 0.00 2.04 -1.64 0.90 117.51 117.46 1h38 h ILE 254 Ca -0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.85 1h38 h ILE 254 Cb 0.65 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 1h38 h ILE 254 CO 0.03 0.00 0.65 0.00 0.00 0.00 0.00 178.15 178.83 1h38 h ALA 255 N 1.08 1.33 -0.22 1.87 0.00 -1.22 0.30 119.26 122.39 1h38 h ALA 255 Ca 0.18 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1h38 h ALA 255 Cb 0.43 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1h38 h ALA 255 CO -0.46 0.52 -0.34 1.15 0.00 0.00 0.00 179.25 180.12 1h38 h THR 256 N 1.23 1.32 -0.14 0.00 2.02 0.11 0.10 112.91 117.57 1h38 h THR 256 Ca 0.40 -1.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.03 1h38 h THR 256 Cb 0.04 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1h38 h THR 256 CO -0.14 0.48 0.05 -0.09 0.37 0.00 0.00 175.52 176.20 1h38 h ARG 257 N 0.30 0.20 -0.19 6.66 1.12 0.12 -1.45 114.38 121.14 1h38 h ARG 257 Ca 0.02 -0.04 0.02 0.00 -1.11 0.00 0.00 59.98 58.87 1h38 h ARG 257 Cb 0.92 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.83 1h38 h ARG 257 CO 0.08 0.30 0.05 0.00 -3.11 0.00 0.00 179.97 177.29 1h38 h ALA 258 N 0.89 0.20 0.04 2.80 0.00 -0.43 -1.37 119.26 121.41 1h38 h ALA 258 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1h38 h ALA 258 Cb 0.17 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1h38 h ALA 258 CO -0.00 -0.38 -0.20 0.78 0.00 0.00 0.00 179.25 179.45 1h38 h GLY 259 N 0.14 -1.21 -0.18 0.00 0.00 -0.57 -0.46 103.07 100.79 1h38 h GLY 259 Ca 0.08 0.58 0.12 0.00 0.00 0.00 0.00 47.33 48.11 1h38 h GLY 259 CO -0.10 -0.39 -0.14 0.00 0.00 0.00 0.00 176.54 175.91 1h38 h ALA 260 N -1.17 0.40 -0.48 3.60 0.00 -1.22 -0.59 119.26 119.81 1h38 h ALA 260 Ca -0.00 0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.24 1h38 h ALA 260 Cb 0.29 0.45 -0.10 0.00 0.00 0.00 0.00 17.79 18.43 1h38 h ALA 260 CO -0.11 -0.43 -0.18 1.25 0.00 0.00 0.00 179.25 179.78 1h38 h LEU 261 N 0.01 -0.64 -1.01 0.00 5.85 -0.95 0.92 115.31 119.49 1h38 h LEU 261 Ca 0.29 0.16 0.00 0.00 0.84 0.00 0.00 57.88 59.17 1h38 h LEU 261 Cb 0.44 0.37 0.00 0.00 0.37 0.00 0.00 40.66 41.84 1h38 h LEU 261 CO -0.61 -0.22 0.26 0.00 -0.34 0.00 0.00 178.44 177.53 1h38 h ALA 262 N 1.31 1.18 -0.52 1.25 0.00 0.58 0.80 119.26 123.85 1h38 h ALA 262 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1h38 h ALA 262 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1h38 h ALA 262 CO -0.53 -0.18 0.00 0.41 0.00 0.00 0.00 179.25 178.95 1h38 n GLY 263 N -1.27 3.04 0.00 0.00 0.00 0.32 -3.57 105.19 103.70 1h38 n GLY 263 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 0.67 0.39 -3.53 -0.61 5.41 0.27 -4.67 119.36 117.29 1h38 n ILE 264 Ca 0.23 -0.62 -0.27 0.00 1.00 0.00 0.00 62.75 63.09 1h38 n ILE 264 Cb 0.86 0.89 -0.09 0.00 -0.71 0.00 0.00 39.64 40.59 1h38 n ILE 264 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1h38 n SER 265 N -0.19 3.62 -4.86 4.38 2.88 -1.25 -4.89 113.62 113.31 1h38 n SER 265 Ca 0.00 -3.39 -0.32 0.00 -1.33 0.00 0.00 58.87 53.83 1h38 n SER 265 Cb 0.15 -0.69 -0.05 0.00 -0.75 0.00 0.00 64.21 62.87 1h38 n SER 265 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1h38 s PRO 266 N -2.25 3.89 -0.93 -1.46 0.04 -1.26 -3.97 135.00 129.06 1h38 s PRO 266 Ca 0.36 0.51 -0.18 0.00 0.04 0.00 0.00 61.00 61.73 1h38 s PRO 266 Cb 0.10 -2.48 0.14 0.00 0.04 0.00 0.00 34.50 32.30 1h38 s PRO 266 CO -0.05 0.15 1.11 -1.64 0.04 0.00 0.00 177.00 176.61 1h38 s MET 267 N -3.15 3.61 0.15 4.56 -1.94 -0.68 -4.87 119.30 116.99 1h38 s MET 267 Ca 0.52 -1.84 -0.34 0.00 -1.71 0.00 0.00 55.69 52.32 1h38 s MET 267 Cb -0.10 -4.89 -0.14 0.00 2.01 0.00 0.00 34.83 31.71 1h38 s MET 267 CO 0.22 -1.74 1.60 1.19 -0.01 0.00 0.00 175.02 176.28 1h38 n PHE 268 N 6.33 2.31 -4.71 -0.03 3.72 -1.26 -4.60 117.46 119.21 1h38 n PHE 268 Ca 0.24 0.24 -0.31 0.00 -0.05 0.00 0.00 57.45 57.56 1h38 n PHE 268 Cb 0.49 -2.56 -0.09 0.00 -0.94 0.00 0.00 39.48 36.38 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 1.11 2.11 1.17 -1.08 -0.21 -1.26 -1.73 119.66 119.77 1h38 s GLN 269 Ca 0.79 -2.30 -0.16 0.00 0.02 0.00 0.00 55.36 53.71 1h38 s GLN 269 Cb -0.67 -1.56 0.27 0.00 1.00 0.00 0.00 33.01 32.05 1h38 s GLN 269 CO 0.38 -0.26 1.05 -2.14 -2.12 0.00 0.00 175.29 172.21 1h38 s PRO 270 N -3.82 -0.95 0.04 2.91 0.02 -1.26 -4.59 135.00 127.35 1h38 s PRO 270 Ca 0.16 0.35 0.03 0.00 0.02 0.00 0.00 61.00 61.57 1h38 s PRO 270 Cb 0.04 -1.59 -0.04 0.00 0.02 0.00 0.00 34.50 32.94 1h38 s PRO 270 CO 0.08 -3.62 -0.02 0.00 -0.33 0.00 0.00 177.00 173.11 1h38 n VAL 272 N 1.07 0.00 -4.06 0.00 0.31 -1.26 -1.58 118.33 112.81 1h38 n VAL 272 Ca -0.13 -0.22 -0.08 0.00 -0.01 0.00 0.00 64.34 63.90 1h38 n VAL 272 Cb 0.52 0.87 -0.10 0.00 -0.91 0.00 0.00 33.84 34.22 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 -2.42 0.21 0.15 2.52 -7.23 -1.26 -4.88 120.40 107.49 1h38 s VAL 273 Ca 0.23 -1.59 -0.34 0.00 -1.81 0.00 0.00 61.98 58.47 1h38 s VAL 273 Cb 0.19 -1.21 -0.16 0.00 0.56 0.00 0.00 36.38 35.76 1h38 s VAL 273 CO 0.52 -0.87 1.21 -2.65 -0.31 0.00 0.00 175.10 172.99 1h38 n PRO 274 N 0.48 1.17 -1.04 4.82 -0.02 -1.26 -4.69 135.00 134.45 1h38 n PRO 274 Ca -0.16 0.42 -0.34 0.00 -2.02 0.00 0.00 63.50 61.39 1h38 n PRO 274 Cb 0.59 -1.95 0.11 0.00 -0.02 0.00 0.00 33.50 32.24 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 1.94 0.05 -2.34 0.52 -0.02 -1.26 -4.90 135.00 128.99 1h38 n PRO 275 Ca 0.16 0.08 -0.43 0.00 -2.02 0.00 0.00 63.50 61.29 1h38 n PRO 275 Cb 0.23 -2.08 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 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 -3.59 4.23 0.18 -0.52 2.20 0.38 -4.87 119.74 117.74 1h38 s LYS 276 Ca 0.66 1.77 -0.33 0.00 -0.36 0.00 0.00 55.97 57.71 1h38 s LYS 276 Cb -0.28 -3.80 -0.15 0.00 -1.51 0.00 0.00 37.83 32.09 1h38 s LYS 276 CO 0.58 -0.72 1.24 -2.30 -0.36 0.00 0.00 175.35 173.78 1h38 n PRO 277 N 6.64 1.36 -2.57 4.03 -0.02 -1.26 -0.18 135.00 143.00 1h38 n PRO 277 Ca 0.14 0.49 -0.43 0.00 -2.02 0.00 0.00 63.50 61.68 1h38 n PRO 277 Cb 0.44 -2.03 -0.02 0.00 -0.02 0.00 0.00 33.50 31.87 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 -0.08 3.22 -0.26 6.00 0.52 -1.26 -4.66 118.94 122.41 1h38 s TRP 278 Ca 0.73 1.33 0.06 0.00 0.02 0.00 0.00 56.10 58.24 1h38 s TRP 278 Cb -0.81 -3.34 -0.07 0.00 -1.15 0.00 0.00 33.47 28.09 1h38 s TRP 278 CO 0.51 -0.90 0.25 -2.37 0.02 0.00 0.00 176.95 174.45 1h38 n THR 279 N 5.05 0.00 -3.23 2.01 5.66 -1.26 -4.97 114.28 117.54 1h38 n THR 279 Ca 0.12 -0.34 -0.00 0.00 -3.05 0.00 0.00 64.05 60.77 1h38 n THR 279 Cb 0.46 0.95 0.00 0.00 -1.55 0.00 0.00 70.33 70.19 1h38 n THR 279 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1h38 n GLY 280 N 1.22 1.64 0.35 1.09 0.00 -1.26 -5.03 105.19 103.20 1h38 n GLY 280 Ca 0.01 -0.99 0.18 0.00 0.00 0.00 0.00 46.02 45.22 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 1.07 0.42 -4.31 -0.61 5.03 -1.90 -3.44 117.51 113.77 1h38 h ILE 281 Ca -0.02 0.00 -0.35 0.00 -0.12 0.00 0.00 64.86 64.37 1h38 h ILE 281 Cb 0.09 0.79 -0.09 0.00 -3.03 0.00 0.00 36.82 34.58 1h38 h ILE 281 CO 0.03 0.00 -0.25 0.35 -0.68 0.00 0.00 178.15 177.60 1h38 n THR 282 N -3.72 0.00 -0.86 -0.27 -2.24 -1.26 -0.75 114.28 105.18 1h38 n THR 282 Ca 0.03 -2.02 0.00 0.00 -2.27 0.00 0.00 64.05 59.79 1h38 n THR 282 Cb 0.40 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.61 0.96 3.96 3.38 0.00 -1.12 -4.79 105.19 106.97 1h38 n GLY 283 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.70 107.32 101.11 1h38 s GLY 284 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.26 1h38 s GLY 284 CO 0.00 -0.77 0.00 0.61 0.00 0.00 0.00 173.10 172.94 1h38 n GLY 285 N -3.35 2.13 3.89 0.20 0.00 0.74 -4.61 105.19 104.19 1h38 n GLY 285 Ca 0.15 -0.10 -0.29 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 3.56 -0.23 1.61 2.02 -1.26 0.14 117.35 123.19 1h38 s TYR 286 Ca 0.00 1.01 -0.17 0.00 -0.37 0.00 0.00 57.07 57.54 1h38 s TYR 286 Cb 0.00 -2.55 -0.13 0.00 -0.40 0.00 0.00 41.96 38.87 1h38 s TYR 286 CO 0.00 -0.54 -0.12 0.91 -1.57 0.00 0.00 175.55 174.23 1h38 n TRP 287 N -2.53 0.48 -0.77 2.71 7.02 -1.26 -4.62 117.44 118.47 1h38 n TRP 287 Ca 0.03 0.21 -0.33 0.00 -1.02 0.00 0.00 57.50 56.40 1h38 n TRP 287 Cb 0.55 -0.98 0.13 0.00 -2.42 0.00 0.00 31.31 28.60 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 -3.89 -3.16 -2.88 6.99 0.00 -1.26 -4.91 120.51 111.41 1h38 n ALA 288 Ca -0.38 -0.80 -0.38 0.00 0.00 0.00 0.00 53.44 51.87 1h38 n ALA 288 Cb 0.72 -1.69 -0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.20 6.32 -4.77 0.00 5.03 -1.26 -5.03 115.26 114.36 1h38 n ASN 289 Ca 0.05 -3.58 -0.34 0.00 0.87 0.00 0.00 54.58 51.57 1h38 n ASN 289 Cb 0.56 -1.07 0.02 0.00 -1.02 0.00 0.00 39.78 38.27 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 -1.90 2.48 0.00 7.41 0.00 -1.26 -4.84 107.32 109.21 1h38 s GLY 290 Ca 0.38 0.76 0.03 0.00 0.00 0.00 0.00 44.72 45.88 1h38 s GLY 290 CO -0.04 1.12 0.70 0.54 0.00 0.00 0.00 173.10 175.42 1h38 n ARG 291 N -1.75 0.57 -3.31 2.90 5.12 -1.26 -3.47 116.66 115.46 1h38 n ARG 291 Ca 0.11 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.78 1h38 n ARG 291 Cb 0.51 -1.07 -0.07 0.00 -1.16 0.00 0.00 32.46 30.67 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 -0.57 2.15 -1.88 5.56 3.00 -1.26 -4.95 116.66 118.70 1h38 n ARG 292 Ca 0.02 -4.33 -0.41 0.00 -0.00 0.00 0.00 57.85 53.13 1h38 n ARG 292 Cb 0.01 -2.00 -0.01 0.00 0.00 0.00 0.00 32.46 30.45 1h38 n ARG 292 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1h38 s PRO 293 N -2.30 4.18 0.18 -0.14 0.04 -1.23 -4.97 135.00 130.77 1h38 s PRO 293 Ca 0.40 2.46 -0.30 0.00 0.04 0.00 0.00 61.00 63.60 1h38 s PRO 293 Cb 0.18 -3.04 -0.09 0.00 0.04 0.00 0.00 34.50 31.59 1h38 s PRO 293 CO -0.05 -0.50 1.34 -0.51 0.04 0.00 0.00 177.00 177.32 1h38 s LEU 294 N -1.02 4.40 0.14 -3.56 1.43 -1.26 -4.85 118.68 113.96 1h38 s LEU 294 Ca 0.58 2.40 -0.07 0.00 -1.03 0.00 0.00 54.13 56.01 1h38 s LEU 294 Cb -0.45 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.11 1h38 s LEU 294 CO 0.51 -0.57 0.41 0.00 0.23 0.00 0.00 176.35 176.93 1h38 s ALA 295 N 0.34 3.74 0.03 4.21 0.00 -1.26 -2.80 121.76 126.02 1h38 s ALA 295 Ca 0.59 -0.47 0.23 0.00 0.00 0.00 0.00 51.96 52.31 1h38 s ALA 295 Cb -0.37 -2.21 0.74 0.00 0.00 0.00 0.00 23.12 21.27 1h38 s ALA 295 CO 0.37 0.62 1.75 1.25 0.00 0.00 0.00 175.76 179.74 1h38 h LEU 296 N 3.03 0.00 -7.85 0.00 5.85 -1.22 -3.42 115.31 111.70 1h38 h LEU 296 Ca -0.47 0.00 -0.50 0.00 0.84 0.00 0.00 57.88 57.75 1h38 h LEU 296 Cb 1.17 0.00 -0.35 0.00 0.37 0.00 0.00 40.66 41.86 1h38 h LEU 296 CO 0.70 0.24 -0.80 -0.69 -0.34 0.00 0.00 178.44 177.56 1h38 s VAL 297 N -3.49 0.98 -1.13 1.05 1.01 -1.26 -2.58 120.40 114.98 1h38 s VAL 297 Ca 0.02 -0.35 -0.21 0.00 0.00 0.00 0.00 61.98 61.44 1h38 s VAL 297 Cb 0.09 -0.95 0.04 0.00 0.00 0.00 0.00 36.38 35.56 1h38 s VAL 297 CO 0.65 0.33 1.65 -0.13 0.00 0.00 0.00 175.10 177.61 1h38 s ARG 298 N 1.03 3.56 0.33 2.72 0.52 0.74 -4.93 118.95 122.92 1h38 s ARG 298 Ca -0.08 -1.39 0.01 0.00 -0.52 0.00 0.00 55.73 53.75 1h38 s ARG 298 Cb -0.15 -5.39 -0.03 0.00 0.52 0.00 0.00 34.95 29.90 1h38 s ARG 298 CO -0.00 -2.48 0.52 0.95 0.02 0.00 0.00 175.30 174.30 1h38 s THR 299 N 5.65 5.13 -0.07 0.02 -4.23 -1.26 -3.35 115.64 117.54 1h38 s THR 299 Ca 0.53 -0.53 -0.19 0.00 -1.18 0.00 0.00 61.69 60.33 1h38 s THR 299 Cb 0.01 -3.86 -0.14 0.00 1.34 0.00 0.00 72.50 69.85 1h38 s THR 299 CO -0.00 -0.52 0.72 0.45 -0.54 0.00 0.00 174.62 174.73 1h38 h HIS 300 N 0.84 -0.18 -3.43 3.99 -0.00 -1.97 -3.47 115.15 110.94 1h38 h HIS 300 Ca -0.50 -0.00 -0.67 0.00 -0.00 0.00 0.00 60.37 59.20 1h38 h HIS 300 Cb 1.22 0.06 -0.14 0.00 -0.00 0.00 0.00 27.41 28.55 1h38 h HIS 300 CO 0.50 0.24 -0.66 -1.54 -0.00 0.00 0.00 177.93 176.47 1h38 s SER 301 N -5.52 4.96 0.36 2.45 1.04 -1.26 -5.00 113.70 110.74 1h38 s SER 301 Ca -0.11 -0.07 0.07 0.00 0.48 0.00 0.00 55.95 56.32 1h38 s SER 301 Cb 0.00 -1.24 0.78 0.00 0.10 0.00 0.00 66.02 65.66 1h38 s SER 301 CO 0.41 0.26 1.93 0.50 0.98 0.00 0.00 173.24 177.32 1h38 h LYS 302 N 4.25 0.70 -0.76 4.02 3.11 -2.01 0.12 116.57 126.00 1h38 h LYS 302 Ca -0.49 -0.04 0.07 0.00 -2.81 0.00 0.00 60.65 57.38 1h38 h LYS 302 Cb 1.17 -0.16 -0.06 0.00 -1.00 0.00 0.00 32.23 32.18 1h38 h LYS 302 CO 0.57 0.47 0.44 -0.22 -2.81 0.00 0.00 179.45 177.89 1h38 h LYS 303 N 0.73 0.77 -0.85 1.90 3.64 -2.00 -1.90 116.57 118.84 1h38 h LYS 303 Ca 0.36 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.72 1h38 h LYS 303 Cb 0.44 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 1h38 h LYS 303 CO -0.14 0.51 0.55 0.00 -2.27 0.00 0.00 179.45 178.10 1h38 h ALA 304 N 1.40 1.11 -0.03 5.00 0.00 -1.17 -2.60 119.26 122.97 1h38 h ALA 304 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1h38 h ALA 304 Cb 0.24 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1h38 h ALA 304 CO -0.20 0.42 0.02 1.25 0.00 0.00 0.00 179.25 180.73 1h38 h LEU 305 N 1.09 0.03 -2.04 0.00 6.46 -1.00 -2.80 115.31 117.06 1h38 h LEU 305 Ca 0.33 -0.03 0.10 0.00 -0.12 0.00 0.00 57.88 58.16 1h38 h LEU 305 Cb -0.04 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 1h38 h LEU 305 CO -0.10 0.05 0.26 0.24 -0.62 0.00 0.00 178.44 178.27 1h38 h MET 306 N 0.01 0.00 0.00 1.25 2.86 -1.05 -0.03 114.93 117.97 1h38 h MET 306 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1h38 h MET 306 Cb 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1h38 h MET 306 CO -0.00 0.00 0.15 0.00 1.06 0.00 0.00 176.91 178.12 1h38 h ARG 307 N 0.00 0.00 0.00 1.72 3.08 -1.35 0.05 114.38 117.88 1h38 h ARG 307 Ca 0.16 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.12 1h38 h ARG 307 Cb 0.67 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1h38 h ARG 307 CO -0.00 0.00 -1.41 0.66 -1.07 0.00 0.00 179.97 178.15 1h38 n TYR 308 N -2.48 0.76 -0.23 3.04 4.02 -0.02 -4.57 117.16 117.68 1h38 n TYR 308 Ca -0.02 0.24 -0.00 0.00 -0.01 0.00 0.00 57.90 58.11 1h38 n TYR 308 Cb 0.19 -0.94 0.03 0.00 -0.02 0.00 0.00 39.34 38.60 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 -2.70 -0.14 -0.50 -0.72 2.13 0.00 -0.33 120.64 118.39 1h38 n GLU 309 Ca -0.06 0.92 0.06 0.00 0.66 0.00 0.00 57.16 58.73 1h38 n GLU 309 Cb 0.70 -1.37 0.24 0.00 0.27 0.00 0.00 31.44 31.28 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 -4.89 3.46 -4.74 4.31 8.00 -1.26 -4.74 116.55 116.69 1h38 n ASP 310 Ca 0.06 -3.19 -0.40 0.00 0.71 0.00 0.00 54.79 51.97 1h38 n ASP 310 Cb 0.24 -0.56 -0.05 0.00 -0.02 0.00 0.00 41.12 40.73 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 -2.93 4.19 -0.42 2.53 1.01 0.55 -4.99 120.40 120.34 1h38 s VAL 311 Ca 0.42 2.05 -0.20 0.00 0.00 0.00 0.00 61.98 64.24 1h38 s VAL 311 Cb 0.35 -4.31 0.02 0.00 0.00 0.00 0.00 36.38 32.45 1h38 s VAL 311 CO 0.06 0.43 0.63 -0.47 0.00 0.00 0.00 175.10 175.75 1h38 s TYR 312 N -0.76 3.08 -0.46 5.22 5.04 -1.26 -4.93 117.35 123.29 1h38 s TYR 312 Ca 0.43 0.02 0.07 0.00 -2.44 0.00 0.00 57.07 55.15 1h38 s TYR 312 Cb -0.25 -3.29 0.24 0.00 0.35 0.00 0.00 41.96 39.00 1h38 s TYR 312 CO 0.32 -0.81 0.74 0.00 -1.34 0.00 0.00 175.55 174.45 1h38 n MET 313 N 6.20 0.73 -0.15 4.97 0.00 -1.26 -4.97 117.12 122.63 1h38 n MET 313 Ca -0.02 -2.29 -0.05 0.00 0.00 0.00 0.00 57.70 55.34 1h38 n MET 313 Cb 0.48 -1.39 0.04 0.00 0.00 0.00 0.00 33.22 32.35 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 4.10 0.44 -0.82 3.17 0.11 -1.91 -2.20 132.00 134.88 1h38 h PRO 314 Ca -0.05 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.99 1h38 h PRO 314 Cb 0.98 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.95 1h38 h PRO 314 CO 0.36 0.29 0.35 0.93 -0.21 0.00 0.00 178.00 179.73 1h38 h GLU 315 N 0.46 1.20 0.44 1.05 4.39 -1.95 0.09 114.58 120.25 1h38 h GLU 315 Ca 0.20 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1h38 h GLU 315 Cb 0.11 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 1h38 h GLU 315 CO -0.14 0.95 -0.36 0.28 -1.16 0.00 0.00 179.01 178.58 1h38 h VAL 316 N 1.18 0.27 -0.94 3.13 2.07 -1.62 -1.65 116.25 118.68 1h38 h VAL 316 Ca 0.28 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.89 1h38 h VAL 316 Cb 0.18 0.27 -0.07 0.00 -1.52 0.00 0.00 31.29 30.14 1h38 h VAL 316 CO -0.03 0.00 0.61 1.88 0.02 0.00 0.00 177.57 180.05 1h38 h TYR 317 N -0.79 1.06 0.12 1.57 0.05 -1.06 -1.71 116.97 116.20 1h38 h TYR 317 Ca -0.04 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.78 1h38 h TYR 317 Cb 0.69 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 1h38 h TYR 317 CO -0.17 0.49 -0.18 0.87 -1.05 0.00 0.00 178.16 178.12 1h38 h LYS 318 N 0.98 -0.35 0.30 4.88 1.57 -0.54 0.04 116.57 123.46 1h38 h LYS 318 Ca 0.44 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.23 1h38 h LYS 318 Cb 0.37 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1h38 h LYS 318 CO -0.19 -0.23 -0.38 0.00 -0.57 0.00 0.00 179.45 178.07 1h38 h ALA 319 N 0.46 -1.01 -0.97 3.86 0.00 -0.80 0.45 119.26 121.25 1h38 h ALA 319 Ca 0.02 -0.13 0.21 0.00 0.00 0.00 0.00 54.91 55.01 1h38 h ALA 319 Cb 0.37 0.66 -0.11 0.00 0.00 0.00 0.00 17.79 18.70 1h38 h ALA 319 CO -0.09 -1.05 0.55 0.82 0.00 0.00 0.00 179.25 179.47 1h38 h ILE 320 N -0.71 0.61 -0.26 0.00 1.08 -1.21 -0.60 117.51 116.42 1h38 h ILE 320 Ca -0.04 -0.21 -0.19 0.00 -0.39 0.00 0.00 64.86 64.03 1h38 h ILE 320 Cb 0.63 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.32 1h38 h ILE 320 CO -0.09 0.11 -0.58 0.78 -0.69 0.00 0.00 178.15 177.68 1h38 h ASN 321 N 0.62 0.92 0.02 1.72 2.35 -0.25 -1.64 115.58 119.32 1h38 h ASN 321 Ca 0.59 -0.51 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1h38 h ASN 321 Cb 1.02 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 1h38 h ASN 321 CO -0.44 1.30 -0.04 0.40 -1.65 0.00 0.00 177.43 177.00 1h38 h ILE 322 N 0.62 0.91 0.59 2.81 2.04 0.13 -2.46 117.51 122.16 1h38 h ILE 322 Ca 0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1h38 h ILE 322 Cb 1.18 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1h38 h ILE 322 CO 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 178.15 177.90 1h38 h ALA 323 N 0.90 -0.94 0.00 1.87 0.00 -1.20 -1.37 119.26 118.54 1h38 h ALA 323 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1h38 h ALA 323 Cb 0.08 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1h38 h ALA 323 CO -0.03 -1.04 0.32 0.37 0.00 0.00 0.00 179.25 178.87 1h38 h GLN 324 N -0.92 0.00 -0.02 0.00 4.15 -1.23 0.10 115.11 117.19 1h38 h GLN 324 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1h38 h GLN 324 Cb 0.75 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.44 1h38 h GLN 324 CO 0.07 0.00 -0.16 -1.71 -1.93 0.00 0.00 178.83 175.10 1h38 n ASN 325 N -2.08 2.02 -4.72 -0.69 5.15 -0.52 -4.43 115.26 109.99 1h38 n ASN 325 Ca -0.01 -1.56 -0.42 0.00 -0.60 0.00 0.00 54.58 52.00 1h38 n ASN 325 Cb 0.34 0.13 -0.03 0.00 -0.53 0.00 0.00 39.78 39.70 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 -2.20 2.86 -0.12 -0.44 2.01 0.02 -4.97 115.64 112.80 1h38 s THR 326 Ca 0.28 0.64 -0.18 0.00 0.31 0.00 0.00 61.69 62.74 1h38 s THR 326 Cb 0.20 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1h38 s THR 326 CO 0.41 0.06 0.49 0.00 -0.69 0.00 0.00 174.62 174.90 1h38 s ALA 327 N 0.81 3.47 0.42 7.40 0.00 -1.26 -4.63 121.76 127.98 1h38 s ALA 327 Ca 0.65 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.48 1h38 s ALA 327 Cb -0.41 -2.68 -0.07 0.00 0.00 0.00 0.00 23.12 19.96 1h38 s ALA 327 CO 0.34 -0.05 0.04 -1.58 0.00 0.00 0.00 175.76 174.51 1h38 s TRP 328 N 0.73 2.45 0.15 0.00 0.52 0.31 -0.65 118.94 122.46 1h38 s TRP 328 Ca 0.26 -0.69 -0.23 0.00 0.02 0.00 0.00 56.10 55.46 1h38 s TRP 328 Cb -0.15 -1.79 0.07 0.00 -1.15 0.00 0.00 33.47 30.45 1h38 s TRP 328 CO 0.11 0.37 0.59 -1.59 0.02 0.00 0.00 176.95 176.45 1h38 s LYS 329 N -3.76 1.26 -0.00 4.98 -2.85 0.12 0.90 119.74 120.38 1h38 s LYS 329 Ca 0.33 -0.46 -0.30 0.00 -1.00 0.00 0.00 55.97 54.54 1h38 s LYS 329 Cb 0.08 0.58 -0.04 0.00 -2.06 0.00 0.00 37.83 36.39 1h38 s LYS 329 CO 0.17 -0.54 1.09 0.42 0.10 0.00 0.00 175.35 176.59 1h38 s ILE 330 N -3.65 4.50 -1.09 3.79 -1.09 -1.26 -1.01 121.20 121.39 1h38 s ILE 330 Ca 0.01 1.80 -0.22 0.00 -2.23 0.00 0.00 60.65 60.00 1h38 s ILE 330 Cb -0.01 -4.15 -0.00 0.00 -1.58 0.00 0.00 42.46 36.72 1h38 s ILE 330 CO -0.12 0.10 1.76 0.21 -1.23 0.00 0.00 174.94 175.66 1h38 s ASN 331 N 1.11 5.87 0.20 3.58 3.84 0.82 -4.82 114.94 125.54 1h38 s ASN 331 Ca 0.54 -1.53 -0.14 0.00 0.21 0.00 0.00 52.86 51.94 1h38 s ASN 331 Cb -0.24 -2.57 0.21 0.00 -0.55 0.00 0.00 41.25 38.10 1h38 s ASN 331 CO 0.26 -2.13 1.63 0.11 -2.79 0.00 0.00 177.10 174.18 1h38 h LYS 332 N 9.65 -0.01 -0.47 0.43 1.57 -1.89 -0.62 116.57 125.24 1h38 h LYS 332 Ca 0.24 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.14 1h38 h LYS 332 Cb 0.96 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1h38 h LYS 332 CO 1.33 -0.00 0.33 0.87 -0.57 0.00 0.00 179.45 181.41 1h38 h LYS 333 N -0.01 0.07 0.24 3.15 1.57 -1.99 -0.66 116.57 118.94 1h38 h LYS 333 Ca 0.29 -0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.74 1h38 h LYS 333 Cb 0.44 -0.02 0.04 0.00 0.08 0.00 0.00 32.23 32.77 1h38 h LYS 333 CO -0.62 0.05 -1.40 0.28 -0.57 0.00 0.00 179.45 177.19 1h38 h VAL 334 N 0.07 1.31 -0.99 0.50 2.07 -1.48 -3.24 116.25 114.48 1h38 h VAL 334 Ca 0.22 -2.67 0.10 0.00 0.82 0.00 0.00 66.70 65.17 1h38 h VAL 334 Cb 0.79 3.05 -0.08 0.00 -1.52 0.00 0.00 31.29 33.54 1h38 h VAL 334 CO -0.02 0.80 0.63 0.25 0.02 0.00 0.00 177.57 179.25 1h38 h LEU 335 N 0.09 0.96 -0.27 2.57 6.46 -0.30 -1.36 115.31 123.45 1h38 h LEU 335 Ca -0.24 0.03 0.04 0.00 -0.12 0.00 0.00 57.88 57.59 1h38 h LEU 335 Cb 2.10 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 41.83 1h38 h LEU 335 CO 0.26 0.55 0.03 0.00 -0.62 0.00 0.00 178.44 178.67 1h38 h ALA 336 N 1.50 0.26 -0.38 1.25 0.00 -1.25 0.27 119.26 120.91 1h38 h ALA 336 Ca 0.47 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1h38 h ALA 336 Cb 0.35 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1h38 h ALA 336 CO -0.23 -0.38 0.24 0.28 0.00 0.00 0.00 179.25 179.16 1h38 h VAL 337 N 0.13 1.11 -0.41 0.00 2.07 -1.32 -2.71 116.25 115.12 1h38 h VAL 337 Ca 0.13 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.27 1h38 h VAL 337 Cb 0.14 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1h38 h VAL 337 CO -0.18 0.11 -0.31 0.00 0.02 0.00 0.00 177.57 177.21 1h38 h ALA 338 N 1.12 0.59 -0.71 1.67 0.00 -0.87 -2.20 119.26 118.86 1h38 h ALA 338 Ca 0.14 -0.42 0.12 0.00 0.00 0.00 0.00 54.91 54.75 1h38 h ALA 338 Cb -0.03 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1h38 h ALA 338 CO -0.03 0.64 0.47 -0.91 0.00 0.00 0.00 179.25 179.42 1h38 h ASN 339 N 0.75 0.44 0.00 0.00 2.35 -0.31 -1.15 115.58 117.65 1h38 h ASN 339 Ca 0.08 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1h38 h ASN 339 Cb 0.90 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.19 1h38 h ASN 339 CO 0.08 0.25 0.00 0.52 -1.65 0.00 0.00 177.43 176.63 1h38 n VAL 340 N -4.48 0.00 0.32 2.81 0.31 -1.02 -4.25 118.33 112.02 1h38 n VAL 340 Ca 0.13 0.50 0.19 0.00 -0.01 0.00 0.00 64.34 65.15 1h38 n VAL 340 Cb 0.43 -1.49 1.04 0.00 -0.91 0.00 0.00 33.84 32.92 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 0.00 0.00 2.52 3.07 -1.44 -2.04 117.51 119.62 1h38 h ILE 341 Ca 0.00 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.39 1h38 h ILE 341 Cb 0.00 0.85 -0.00 0.00 -0.27 0.00 0.00 36.82 37.39 1h38 h ILE 341 CO 0.00 0.00 -0.10 0.71 -1.05 0.00 0.00 178.15 177.71 1h38 h THR 342 N 0.00 0.20 -0.10 0.16 1.35 -1.38 -2.59 112.91 110.54 1h38 h THR 342 Ca 0.00 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 1h38 h THR 342 Cb 0.21 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1h38 h THR 342 CO 0.00 0.10 0.00 2.29 -0.25 0.00 0.00 175.52 177.66 1h38 n LYS 343 N -3.16 1.32 -0.01 4.72 2.85 -0.77 -3.04 118.16 120.07 1h38 n LYS 343 Ca 0.02 -0.50 0.00 0.00 -1.05 0.00 0.00 58.31 56.79 1h38 n LYS 343 Cb 0.49 -1.25 -0.04 0.00 -0.65 0.00 0.00 35.03 33.58 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 -0.22 0.00 -4.10 5.58 7.02 -1.02 -5.04 117.44 119.67 1h38 n TRP 344 Ca 0.11 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.45 1h38 n TRP 344 Cb 0.16 -0.18 -0.12 0.00 -2.42 0.00 0.00 31.31 28.74 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 -2.26 0.49 0.08 -0.99 1.02 -1.01 -5.04 119.74 112.03 1h38 s LYS 345 Ca -0.02 -0.55 -0.32 0.00 0.02 0.00 0.00 55.97 55.09 1h38 s LYS 345 Cb 0.03 -0.33 -0.17 0.00 -0.52 0.00 0.00 37.83 36.83 1h38 s LYS 345 CO 0.22 0.07 1.62 0.45 -0.92 0.00 0.00 175.35 176.79 1h38 h HIS 346 N 5.05 -0.88 -3.76 3.18 3.86 -1.90 -3.36 115.15 117.34 1h38 h HIS 346 Ca -0.33 -0.01 -0.68 0.00 -1.16 0.00 0.00 60.37 58.19 1h38 h HIS 346 Cb 1.20 0.31 -0.33 0.00 1.06 0.00 0.00 27.41 29.65 1h38 h HIS 346 CO 0.56 -0.52 -0.72 0.00 0.86 0.00 0.00 177.93 178.12 1h38 h PRO 348 N 7.97 0.00 -1.88 0.00 0.11 -1.85 -2.29 132.00 134.06 1h38 h PRO 348 Ca -0.22 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.39 1h38 h PRO 348 Cb 1.06 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.77 1h38 h PRO 348 CO 0.53 0.00 -1.01 0.28 -0.21 0.00 0.00 178.00 177.59 1h38 n VAL 349 N -2.39 1.12 -0.01 3.15 0.31 -1.26 -4.86 118.33 114.38 1h38 n VAL 349 Ca -0.01 -4.66 0.00 0.00 -0.01 0.00 0.00 64.34 59.67 1h38 n VAL 349 Cb 0.64 -0.52 -0.04 0.00 -0.91 0.00 0.00 33.84 33.02 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 0.02 1.76 -3.24 5.55 -0.58 -0.86 -4.91 120.64 118.38 1h38 n GLU 350 Ca 0.25 -0.02 -0.17 0.00 -0.42 0.00 0.00 57.16 56.80 1h38 n GLU 350 Cb 0.61 -1.12 -0.06 0.00 -0.57 0.00 0.00 31.44 30.30 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 -3.08 0.64 -0.16 1.62 -0.00 -1.26 -5.11 116.67 109.31 1h38 s ASP 351 Ca -0.02 -2.09 -0.04 0.00 -0.00 0.00 0.00 52.55 50.41 1h38 s ASP 351 Cb 0.02 0.55 -0.03 0.00 -0.00 0.00 0.00 42.92 43.47 1h38 s ASP 351 CO 0.20 -0.18 -0.04 -0.63 -0.00 0.00 0.00 175.17 174.52 1h38 s ILE 352 N 0.87 3.88 -0.71 0.77 1.01 -1.26 -5.03 121.20 120.73 1h38 s ILE 352 Ca 0.25 -0.36 -0.35 0.00 0.00 0.00 0.00 60.65 60.18 1h38 s ILE 352 Cb -0.06 -2.70 -0.18 0.00 0.01 0.00 0.00 42.46 39.53 1h38 s ILE 352 CO -0.08 0.49 2.43 -2.65 0.00 0.00 0.00 174.94 175.13 1h38 n PRO 353 N 3.56 0.25 -4.65 2.79 -0.02 -1.26 -4.93 135.00 130.73 1h38 n PRO 353 Ca -0.17 0.04 -0.25 0.00 -2.02 0.00 0.00 63.50 61.10 1h38 n PRO 353 Cb 0.52 -1.82 -0.14 0.00 -0.02 0.00 0.00 33.50 32.04 1h38 n PRO 353 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h38 s ALA 354 N 8.14 1.63 -1.21 3.55 0.00 -1.26 -5.20 121.76 127.41 1h38 s ALA 354 Ca 1.24 -0.97 -0.17 0.00 0.00 0.00 0.00 51.96 52.06 1h38 s ALA 354 Cb -1.18 -0.33 0.11 0.00 0.00 0.00 0.00 23.12 21.72 1h38 s ALA 354 CO 0.52 0.37 1.56 0.42 0.00 0.00 0.00 175.76 178.62 1h38 s ILE 355 N -0.73 4.45 -0.49 0.00 1.01 -1.26 -5.29 121.20 118.89 1h38 s ILE 355 Ca 0.07 -2.01 -0.13 0.00 0.00 0.00 0.00 60.65 58.58 1h38 s ILE 355 Cb -0.08 -5.05 0.02 0.00 0.01 0.00 0.00 42.46 37.35 1h38 s ILE 355 CO 0.01 -1.84 0.62 -0.62 0.00 0.00 0.00 174.94 173.11 1h38 n GLU 372 N 7.38 -2.15 0.00 2.79 -0.58 -1.26 -5.30 120.64 121.52 1h38 n GLU 372 Ca 0.41 1.99 0.00 0.00 -0.42 0.00 0.00 57.16 59.14 1h38 n GLU 372 Cb 0.46 -5.68 0.00 0.00 -0.57 0.00 0.00 31.44 25.65 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 -0.61 0.00 -0.26 0.62 0.00 -1.26 -4.41 120.51 114.59 1h38 n ALA 373 Ca 0.09 -0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.51 1h38 n ALA 373 Cb 0.47 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.11 1h38 n ALA 373 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1h38 h LEU 374 N 0.00 0.20 -1.07 0.00 5.85 -2.04 0.31 115.31 118.56 1h38 h LEU 374 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1h38 h LEU 374 Cb 0.00 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1h38 h LEU 374 CO 0.00 0.05 0.00 0.41 -0.34 0.00 0.00 178.44 178.56 1h38 n THR 375 N -5.05 0.04 0.00 1.05 -1.04 -1.26 -1.36 114.28 106.65 1h38 n THR 375 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1h38 n THR 375 Cb 0.44 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 1h38 n THR 375 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1h38 n ALA 376 N 0.22 2.21 -0.01 2.41 0.00 0.97 -4.56 120.51 121.75 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 0.17 0.17 -0.12 0.00 0.00 0.00 0.00 19.45 19.66 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 0.31 0.00 0.00 -0.00 -1.03 -2.70 115.95 112.52 1h38 h TRP 377 Ca 0.00 -0.19 -0.02 0.00 -0.00 0.00 0.00 58.89 58.68 1h38 h TRP 377 Cb 0.34 -0.03 -0.00 0.00 -0.00 0.00 0.00 29.16 29.47 1h38 h TRP 377 CO 0.00 1.05 -0.10 -0.22 -0.00 0.00 0.00 178.44 179.17 1h38 h LYS 378 N -0.53 0.00 0.45 0.49 1.63 -1.46 -0.16 116.57 116.99 1h38 h LYS 378 Ca -0.05 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 1h38 h LYS 378 Cb 1.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1h38 h LYS 378 CO 0.07 0.10 -0.22 -0.09 -3.45 0.00 0.00 179.45 175.87 1h38 h ARG 379 N 0.00 -0.58 -0.57 1.90 2.43 -1.67 -1.91 114.38 113.98 1h38 h ARG 379 Ca -0.00 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1h38 h ARG 379 Cb 0.27 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1h38 h ARG 379 CO 0.01 -0.33 0.28 0.00 -1.51 0.00 0.00 179.97 178.42 1h38 h ALA 380 N -0.23 1.42 0.17 2.80 0.00 -1.01 -2.72 119.26 119.71 1h38 h ALA 380 Ca -0.06 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1h38 h ALA 380 Cb 0.52 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1h38 h ALA 380 CO 0.10 0.46 -0.19 0.00 0.00 0.00 0.00 179.25 179.62 1h38 h ALA 381 N 1.51 -0.38 -0.07 0.00 0.00 -0.89 -1.20 119.26 118.24 1h38 h ALA 381 Ca 0.20 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1h38 h ALA 381 Cb 0.07 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1h38 h ALA 381 CO -0.03 -0.74 0.08 0.00 0.00 0.00 0.00 179.25 178.56 1h38 h ALA 382 N 0.36 1.61 -0.03 0.00 0.00 -1.05 -1.26 119.26 118.89 1h38 h ALA 382 Ca 0.01 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1h38 h ALA 382 Cb 0.39 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1h38 h ALA 382 CO -0.06 -0.11 -0.44 0.00 0.00 0.00 0.00 179.25 178.63 1h38 h ALA 383 N 1.91 0.09 -0.83 0.00 0.00 -1.03 -2.42 119.26 116.97 1h38 h ALA 383 Ca 0.03 -0.51 0.18 0.00 0.00 0.00 0.00 54.91 54.61 1h38 h ALA 383 Cb 0.19 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.88 1h38 h ALA 383 CO -0.00 0.25 0.35 0.28 0.00 0.00 0.00 179.25 180.13 1h38 h VAL 384 N -0.19 0.57 0.09 0.00 2.07 -0.10 0.24 116.25 118.95 1h38 h VAL 384 Ca -0.05 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1h38 h VAL 384 Cb 1.15 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1h38 h VAL 384 CO 0.09 0.08 -0.05 0.22 0.02 0.00 0.00 177.57 177.93 1h38 h TYR 385 N 0.44 -0.12 -0.68 1.57 -0.00 -1.47 -2.64 116.97 114.07 1h38 h TYR 385 Ca 0.48 -0.00 0.04 0.00 -0.00 0.00 0.00 58.73 59.25 1h38 h TYR 385 Cb 0.82 0.04 -0.05 0.00 -0.00 0.00 0.00 36.73 37.54 1h38 h TYR 385 CO -0.16 0.22 0.41 -0.09 -0.00 0.00 0.00 178.16 178.55 1h38 h ARG 386 N -0.47 0.76 -0.30 1.82 2.43 -0.77 -1.57 114.38 116.27 1h38 h ARG 386 Ca -0.01 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.17 1h38 h ARG 386 Cb 0.40 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.72 1h38 h ARG 386 CO 0.02 0.50 -0.05 -0.22 -1.51 0.00 0.00 179.97 178.71 1h38 h LYS 387 N 0.78 0.03 -0.29 0.20 3.64 -0.56 0.10 116.57 120.47 1h38 h LYS 387 Ca 0.28 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.55 1h38 h LYS 387 Cb 0.08 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1h38 h LYS 387 CO -0.13 0.02 -0.30 0.22 -2.27 0.00 0.00 179.45 176.99 1h38 h ASP 388 N 0.03 0.62 -0.79 4.20 1.82 -1.12 -0.26 116.42 120.92 1h38 h ASP 388 Ca 0.14 -0.24 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1h38 h ASP 388 Cb 0.21 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.01 1h38 h ASP 388 CO -0.29 0.89 0.51 0.50 -1.61 0.00 0.00 179.24 179.24 1h38 h LYS 389 N 0.52 1.04 0.30 0.28 3.64 -0.51 -1.95 116.57 119.90 1h38 h LYS 389 Ca 0.06 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1h38 h LYS 389 Cb 0.78 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1h38 h LYS 389 CO 0.06 0.71 -0.17 0.00 -2.27 0.00 0.00 179.45 177.78 1h38 h ALA 390 N 1.28 -0.44 -0.23 5.00 0.00 -0.29 -1.43 119.26 123.15 1h38 h ALA 390 Ca 0.29 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1h38 h ALA 390 Cb -0.10 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1h38 h ALA 390 CO -0.06 -0.75 0.27 -0.09 0.00 0.00 0.00 179.25 178.62 1h38 h ARG 391 N -0.45 0.00 0.22 0.00 2.43 -0.83 0.14 114.38 115.90 1h38 h ARG 391 Ca -0.03 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.80 1h38 h ARG 391 Cb 0.36 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.94 1h38 h ARG 391 CO 0.05 0.00 -1.55 0.87 -1.51 0.00 0.00 179.97 177.83 1h38 h LYS 392 N 0.00 0.47 -0.23 0.20 1.57 -0.59 -2.97 116.57 115.02 1h38 h LYS 392 Ca 0.11 -0.81 -0.14 0.00 -1.87 0.00 0.00 60.65 57.94 1h38 h LYS 392 Cb 0.64 0.30 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1h38 h LYS 392 CO -0.00 1.39 -0.45 0.66 -0.57 0.00 0.00 179.45 180.48 1h38 h SER 393 N 0.09 0.62 -0.51 0.86 4.64 -0.17 -2.37 113.55 116.72 1h38 h SER 393 Ca -0.29 -0.29 0.04 0.00 -0.47 0.00 0.00 61.79 60.78 1h38 h SER 393 Cb 2.11 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 63.98 1h38 h SER 393 CO 0.23 0.98 0.26 0.03 -0.87 0.00 0.00 176.83 177.46 1h38 h ARG 394 N 0.47 0.49 -0.01 4.77 3.08 -0.88 -2.32 114.38 119.97 1h38 h ARG 394 Ca 0.03 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1h38 h ARG 394 Cb 0.97 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 1h38 h ARG 394 CO 0.09 0.32 -0.41 -0.09 -1.07 0.00 0.00 179.97 178.81 1h38 h ARG 395 N 0.50 0.02 0.09 0.04 9.65 -1.34 -0.23 114.38 123.11 1h38 h ARG 395 Ca 0.22 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.09 1h38 h ARG 395 Cb 0.13 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 1h38 h ARG 395 CO -0.15 0.43 -0.04 0.82 2.80 0.00 0.00 179.97 183.82 1h38 h ILE 396 N 0.02 0.95 -0.49 1.20 1.08 -0.89 -0.90 117.51 118.48 1h38 h ILE 396 Ca -0.00 -0.11 -0.07 0.00 -0.39 0.00 0.00 64.86 64.29 1h38 h ILE 396 Cb 0.73 1.02 -0.02 0.00 -3.07 0.00 0.00 36.82 35.49 1h38 h ILE 396 CO 0.05 0.03 0.05 0.77 -0.69 0.00 0.00 178.15 178.36 1h38 h SER 397 N -0.17 0.80 -0.62 1.72 4.64 -1.36 -2.30 113.55 116.26 1h38 h SER 397 Ca -0.01 -0.28 0.08 0.00 -0.47 0.00 0.00 61.79 61.11 1h38 h SER 397 Cb 0.14 -0.21 -0.06 0.00 -0.31 0.00 0.00 62.40 61.95 1h38 h SER 397 CO 0.02 0.88 0.29 0.25 -0.87 0.00 0.00 176.83 177.40 1h38 h LEU 398 N 0.70 0.37 -0.78 5.97 6.46 -0.84 -1.50 115.31 125.70 1h38 h LEU 398 Ca 0.14 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 58.03 1h38 h LEU 398 Cb 0.44 -0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.30 1h38 h LEU 398 CO 0.02 0.23 0.46 -0.08 -0.62 0.00 0.00 178.44 178.44 1h38 h GLU 399 N 0.52 0.80 0.93 1.25 4.81 -0.79 -1.85 114.58 120.25 1h38 h GLU 399 Ca 0.30 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.44 1h38 h GLU 399 Cb 0.29 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.50 1h38 h GLU 399 CO -0.24 0.53 -0.45 0.35 -0.73 0.00 0.00 179.01 178.47 1h38 h PHE 400 N 0.82 -1.16 -0.16 0.92 -0.00 -0.77 -1.14 116.94 115.44 1h38 h PHE 400 Ca 0.35 -0.03 0.05 0.00 -0.00 0.00 0.00 57.97 58.34 1h38 h PHE 400 Cb 0.21 0.39 -0.06 0.00 -0.00 0.00 0.00 35.95 36.49 1h38 h PHE 400 CO -0.06 -0.72 -0.21 0.52 -0.00 0.00 0.00 178.31 177.84 1h38 h MET 401 N -1.25 -0.24 -0.85 1.11 2.86 -1.15 0.19 114.93 115.59 1h38 h MET 401 Ca -0.13 0.02 0.12 0.00 -2.06 0.00 0.00 59.70 57.65 1h38 h MET 401 Cb 0.96 0.06 -0.08 0.00 0.06 0.00 0.00 31.60 32.59 1h38 h MET 401 CO 0.21 -0.16 0.46 -0.07 1.06 0.00 0.00 176.91 178.41 1h38 h LEU 402 N -0.25 0.61 -0.04 1.22 3.38 -1.32 0.80 115.31 119.71 1h38 h LEU 402 Ca 0.11 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1h38 h LEU 402 Cb 0.42 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1h38 h LEU 402 CO -0.31 0.30 0.03 -0.08 0.09 0.00 0.00 178.44 178.47 1h38 h GLU 403 N 0.71 0.05 -0.62 1.13 4.22 -0.10 -1.23 114.58 118.75 1h38 h GLU 403 Ca 0.44 -0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.91 1h38 h GLU 403 Cb 0.53 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1h38 h GLU 403 CO -0.31 0.03 0.38 0.37 -2.18 0.00 0.00 179.01 177.30 1h38 h GLN 404 N 0.05 0.72 0.62 1.92 5.75 0.12 -1.06 115.11 123.23 1h38 h GLN 404 Ca 0.01 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 1h38 h GLN 404 Cb -0.01 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.37 1h38 h GLN 404 CO -0.00 0.47 -0.44 0.00 -2.65 0.00 0.00 178.83 176.21 1h38 h ALA 405 N 1.27 -1.19 -1.01 3.38 0.00 0.80 -2.74 119.26 119.77 1h38 h ALA 405 Ca 0.25 -0.20 0.23 0.00 0.00 0.00 0.00 54.91 55.19 1h38 h ALA 405 Cb 0.04 0.59 -0.10 0.00 0.00 0.00 0.00 17.79 18.31 1h38 h ALA 405 CO -0.11 -1.17 0.63 -0.91 0.00 0.00 0.00 179.25 177.68 1h38 h ASN 406 N -1.00 0.61 -0.79 0.00 2.35 -1.10 0.11 115.58 115.76 1h38 h ASN 406 Ca -0.08 0.10 0.04 0.00 -0.55 0.00 0.00 56.30 55.81 1h38 h ASN 406 Cb 0.82 -0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.14 1h38 h ASN 406 CO 0.05 0.15 0.49 0.50 -1.65 0.00 0.00 177.43 176.97 1h38 h LYS 407 N 0.56 0.90 -0.44 0.81 3.64 -0.90 -2.51 116.57 118.62 1h38 h LYS 407 Ca 0.60 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 1h38 h LYS 407 Cb 1.23 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1h38 h LYS 407 CO -0.37 0.60 0.00 1.19 -2.27 0.00 0.00 179.45 178.60 1h38 n PHE 408 N -4.64 0.57 -0.40 1.91 3.72 0.15 -4.58 117.46 114.20 1h38 n PHE 408 Ca 0.10 -0.30 0.39 0.00 -0.05 0.00 0.00 57.45 57.59 1h38 n PHE 408 Cb 0.13 -0.00 0.76 0.00 -0.94 0.00 0.00 39.48 39.42 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 4.27 3.27 -0.10 4.37 0.00 -0.47 -1.53 119.26 129.08 1h38 h ALA 409 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1h38 h ALA 409 Cb 0.96 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1h38 h ALA 409 CO 0.00 -1.70 0.00 0.09 0.00 0.00 0.00 179.25 177.64 1h38 n ASN 410 N -4.05 2.23 -4.77 0.00 5.03 -1.26 -4.75 115.26 107.68 1h38 n ASN 410 Ca 0.30 -1.61 -0.36 0.00 0.87 0.00 0.00 54.58 53.77 1h38 n ASN 410 Cb 1.44 -0.06 -0.00 0.00 -1.02 0.00 0.00 39.78 40.13 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 -0.99 2.79 -1.03 3.10 3.76 -0.58 -4.88 115.29 117.47 1h38 s HIS 411 Ca 0.16 1.54 0.21 0.00 -0.15 0.00 0.00 55.06 56.82 1h38 s HIS 411 Cb 0.11 -3.35 0.90 0.00 1.11 0.00 0.00 32.58 31.34 1h38 s HIS 411 CO 0.15 -1.56 1.66 1.63 -0.85 0.00 0.00 174.74 175.78 1h38 n LYS 412 N -0.80 0.02 -3.64 1.40 5.02 -1.26 -4.77 118.16 114.12 1h38 n LYS 412 Ca 0.09 0.14 -0.02 0.00 -2.02 0.00 0.00 58.31 56.50 1h38 n LYS 412 Cb 0.49 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.96 1h38 n LYS 412 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h38 s ALA 413 N -2.97 -2.13 0.04 7.82 0.00 -1.26 -4.85 121.76 118.41 1h38 s ALA 413 Ca 0.11 1.90 -0.02 0.00 0.00 0.00 0.00 51.96 53.95 1h38 s ALA 413 Cb 0.14 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 1h38 s ALA 413 CO 0.37 -0.26 -0.01 0.96 0.00 0.00 0.00 175.76 176.83 1h38 s ILE 414 N -1.09 0.19 0.22 0.00 -4.36 0.26 -4.80 121.20 111.61 1h38 s ILE 414 Ca 0.09 -1.53 0.04 0.00 -0.26 0.00 0.00 60.65 58.99 1h38 s ILE 414 Cb -0.01 -1.20 -0.05 0.00 1.25 0.00 0.00 42.46 42.45 1h38 s ILE 414 CO -0.08 -0.84 -0.03 0.26 0.24 0.00 0.00 174.94 174.49 1h38 s TRP 415 N -3.30 1.53 -0.11 1.37 0.51 -0.61 -0.53 118.94 117.80 1h38 s TRP 415 Ca 0.01 -0.87 0.01 0.00 -2.12 0.00 0.00 56.10 53.13 1h38 s TRP 415 Cb 0.03 -0.87 0.02 0.00 -0.81 0.00 0.00 33.47 31.85 1h38 s TRP 415 CO -0.08 0.01 -0.10 -0.06 -0.51 0.00 0.00 176.95 176.21 1h38 s PHE 416 N -3.37 1.64 0.83 -1.98 0.08 -1.26 -0.67 117.98 113.25 1h38 s PHE 416 Ca 0.26 -0.79 -0.10 0.00 0.12 0.00 0.00 56.93 56.42 1h38 s PHE 416 Cb 0.05 -1.27 0.09 0.00 -0.57 0.00 0.00 43.02 41.32 1h38 s PHE 416 CO 0.07 -0.48 1.11 -1.25 -0.10 0.00 0.00 175.22 174.57 1h38 s PRO 417 N 1.37 1.73 0.04 0.24 0.04 -1.26 -4.59 135.00 132.57 1h38 s PRO 417 Ca -0.01 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.31 1h38 s PRO 417 Cb -0.14 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1h38 s PRO 417 CO -0.05 -2.03 -0.09 0.71 0.04 0.00 0.00 177.00 175.57 1h38 s TYR 418 N -2.82 0.78 0.21 0.56 1.51 -1.26 -1.25 117.35 115.08 1h38 s TYR 418 Ca 0.63 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 56.31 1h38 s TYR 418 Cb -0.19 -0.47 -0.01 0.00 -0.11 0.00 0.00 41.96 41.19 1h38 s TYR 418 CO 0.57 -0.03 0.05 0.09 -1.11 0.00 0.00 175.55 175.11 1h38 n ASN 419 N 1.79 1.50 -3.94 2.29 5.03 -0.74 -4.90 115.26 116.30 1h38 n ASN 419 Ca -0.20 -2.03 -0.10 0.00 0.87 0.00 0.00 54.58 53.12 1h38 n ASN 419 Cb 0.55 0.40 -0.12 0.00 -1.02 0.00 0.00 39.78 39.60 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 -2.77 0.22 0.80 3.52 -1.94 -1.07 -0.87 119.30 117.20 1h38 s MET 420 Ca 0.07 -0.41 -0.10 0.00 -1.71 0.00 0.00 55.69 53.54 1h38 s MET 420 Cb 0.00 0.08 0.11 0.00 2.01 0.00 0.00 34.83 37.03 1h38 s MET 420 CO 0.05 -0.04 1.14 0.16 -0.01 0.00 0.00 175.02 176.33 1h38 s ASP 421 N -1.01 4.23 0.10 3.03 1.47 -0.59 -0.19 116.67 123.71 1h38 s ASP 421 Ca -0.11 0.42 0.05 0.00 1.18 0.00 0.00 52.55 54.08 1h38 s ASP 421 Cb -0.07 -0.83 0.25 0.00 -0.34 0.00 0.00 42.92 41.93 1h38 s ASP 421 CO -0.01 -2.01 0.99 -2.67 0.68 0.00 0.00 175.17 172.15 1h38 n TRP 422 N -3.25 0.15 0.88 2.11 2.14 -1.21 -0.69 117.44 117.58 1h38 n TRP 422 Ca 0.11 0.08 0.09 0.00 2.07 0.00 0.00 57.50 59.85 1h38 n TRP 422 Cb 0.60 -0.46 -0.05 0.00 -0.81 0.00 0.00 31.31 30.60 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 -1.57 1.16 0.00 -2.67 3.00 -1.26 -4.59 116.66 110.74 1h38 n ARG 423 Ca -0.00 -0.54 0.00 0.00 -0.01 0.00 0.00 57.85 57.29 1h38 n ARG 423 Cb 0.21 -1.39 0.00 0.00 0.00 0.00 0.00 32.46 31.28 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 1.36 0.82 3.77 -0.13 0.00 0.14 -4.00 105.19 107.15 1h38 n GLY 424 Ca 0.06 0.00 -0.39 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 -0.47 4.04 -0.11 1.61 0.52 -1.26 -4.70 118.95 118.58 1h38 s ARG 425 Ca 0.00 2.11 -0.24 0.00 -0.52 0.00 0.00 55.73 57.08 1h38 s ARG 425 Cb 0.00 -2.79 -0.03 0.00 0.52 0.00 0.00 34.95 32.65 1h38 s ARG 425 CO 0.00 -0.42 0.73 0.08 0.02 0.00 0.00 175.30 175.71 1h38 s VAL 426 N -1.27 5.00 -0.01 3.52 1.01 -1.26 -1.55 120.40 125.84 1h38 s VAL 426 Ca 0.56 1.47 0.06 0.00 0.00 0.00 0.00 61.98 64.07 1h38 s VAL 426 Cb -0.37 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 1h38 s VAL 426 CO 0.48 0.17 -0.20 -0.31 0.00 0.00 0.00 175.10 175.24 1h38 s TYR 427 N 1.31 1.75 0.36 5.22 1.51 -0.05 -4.72 117.35 122.73 1h38 s TYR 427 Ca 0.37 -0.33 -0.26 0.00 -1.01 0.00 0.00 57.07 55.84 1h38 s TYR 427 Cb -0.17 -1.13 -0.09 0.00 -0.11 0.00 0.00 41.96 40.46 1h38 s TYR 427 CO 0.16 -0.03 1.10 0.00 -1.11 0.00 0.00 175.55 175.67 1h38 s ALA 428 N -0.47 3.21 -0.03 3.71 0.00 -1.26 -1.78 121.76 125.14 1h38 s ALA 428 Ca 0.08 0.84 -0.11 0.00 0.00 0.00 0.00 51.96 52.76 1h38 s ALA 428 Cb -0.08 -3.32 -0.32 0.00 0.00 0.00 0.00 23.12 19.41 1h38 s ALA 428 CO -0.01 -0.29 0.76 0.28 0.00 0.00 0.00 175.76 176.50 1h38 h VAL 429 N 2.51 1.03 -4.00 0.00 2.07 -1.50 -3.47 116.25 112.90 1h38 h VAL 429 Ca -0.48 -2.58 -0.52 0.00 0.82 0.00 0.00 66.70 63.94 1h38 h VAL 429 Cb 1.22 2.83 0.08 0.00 -1.52 0.00 0.00 31.29 33.90 1h38 h VAL 429 CO 0.64 0.85 0.53 -0.94 0.02 0.00 0.00 177.57 178.67 1h38 s SER 430 N -7.34 5.96 0.29 0.57 1.04 -1.26 -4.85 113.70 108.12 1h38 s SER 430 Ca -0.14 2.47 0.04 0.00 0.48 0.00 0.00 55.95 58.80 1h38 s SER 430 Cb 0.05 -2.62 0.68 0.00 0.10 0.00 0.00 66.02 64.23 1h38 s SER 430 CO 0.88 -1.07 1.78 0.24 0.98 0.00 0.00 173.24 176.04 1h38 h MET 431 N 1.99 0.73 -5.11 4.02 0.00 -1.68 -3.32 114.93 111.56 1h38 h MET 431 Ca -0.50 -0.04 -0.67 0.00 0.00 0.00 0.00 59.70 58.48 1h38 h MET 431 Cb 1.26 -0.16 -0.17 0.00 0.00 0.00 0.00 31.60 32.52 1h38 h MET 431 CO 0.60 0.48 0.03 0.12 0.00 0.00 0.00 176.91 178.15 1h38 s PHE 432 N -5.89 3.07 0.19 -0.22 5.36 -1.26 -5.03 117.98 114.19 1h38 s PHE 432 Ca -0.11 -0.33 -0.10 0.00 -0.96 0.00 0.00 56.93 55.42 1h38 s PHE 432 Cb 0.24 -3.36 -0.01 0.00 -0.34 0.00 0.00 43.02 39.56 1h38 s PHE 432 CO 0.80 -0.92 0.34 0.54 -1.46 0.00 0.00 175.22 174.52 1h38 s ASN 433 N 2.28 -0.01 0.34 6.13 2.20 -1.25 -4.74 114.94 119.89 1h38 s ASN 433 Ca 0.17 -0.87 0.21 0.00 -0.94 0.00 0.00 52.86 51.44 1h38 s ASN 433 Cb -0.17 0.48 1.17 0.00 -2.00 0.00 0.00 41.25 40.73 1h38 s ASN 433 CO 0.15 -0.95 1.64 -0.65 -2.94 0.00 0.00 177.10 174.35 1h38 h PRO 434 N 2.46 0.00 -0.97 3.55 0.11 -1.93 -2.27 132.00 132.94 1h38 h PRO 434 Ca -0.31 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.52 1h38 h PRO 434 Cb 1.24 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.18 1h38 h PRO 434 CO 0.45 0.00 0.36 1.04 -0.21 0.00 0.00 178.00 179.63 1h38 n GLN 435 N -2.27 1.99 0.00 1.05 6.02 -1.26 -4.73 117.38 118.18 1h38 n GLN 435 Ca -0.01 -1.88 0.00 0.00 -0.01 0.00 0.00 57.00 55.10 1h38 n GLN 435 Cb 0.07 -1.76 0.00 0.00 1.02 0.00 0.00 30.24 29.57 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 -0.41 0.70 1.97 1.08 0.00 -0.86 -5.07 105.19 102.60 1h38 n GLY 436 Ca 0.35 -1.37 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 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 2.36 -0.10 1.61 2.04 -1.26 -4.79 115.26 115.12 1h38 n ASN 437 Ca 0.00 -2.10 -0.08 0.00 -0.44 0.00 0.00 54.58 51.96 1h38 n ASN 437 Cb 0.00 0.09 -0.02 0.00 -2.53 0.00 0.00 39.78 37.32 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 0.50 -1.08 -0.42 0.53 3.58 -1.98 0.71 116.42 118.27 1h38 h ASP 438 Ca -0.21 0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 1h38 h ASP 438 Cb 0.68 0.50 -0.02 0.00 1.72 0.00 0.00 39.33 42.20 1h38 h ASP 438 CO 0.33 -0.33 0.25 -0.03 -2.88 0.00 0.00 179.24 176.58 1h38 h MET 439 N -0.28 0.58 0.43 0.28 4.05 -1.97 0.46 114.93 118.48 1h38 h MET 439 Ca 0.16 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.50 1h38 h MET 439 Cb 0.54 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1h38 h MET 439 CO -0.50 0.44 -0.21 1.15 0.23 0.00 0.00 176.91 178.02 1h38 h THR 440 N 0.56 0.58 -0.29 -0.77 2.02 -1.61 -0.21 112.91 113.17 1h38 h THR 440 Ca 0.15 -0.05 0.05 0.00 0.77 0.00 0.00 66.41 67.33 1h38 h THR 440 Cb 0.02 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 1h38 h THR 440 CO -0.03 0.01 -0.03 0.11 0.37 0.00 0.00 175.52 175.95 1h38 h LYS 441 N -0.61 0.05 -0.57 6.66 1.57 0.61 -0.45 116.57 123.83 1h38 h LYS 441 Ca -0.06 -0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.88 1h38 h LYS 441 Cb 0.46 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1h38 h LYS 441 CO 0.10 0.03 0.41 0.78 -0.57 0.00 0.00 179.45 180.20 1h38 h GLY 442 N 0.05 0.05 1.75 3.86 0.00 0.22 0.91 103.07 109.91 1h38 h GLY 442 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1h38 h GLY 442 CO -0.26 0.00 -0.13 1.04 0.00 0.00 0.00 176.54 177.19 1h38 n LEU 443 N -4.38 0.18 -4.63 3.11 4.77 -0.12 -4.65 117.00 111.28 1h38 n LEU 443 Ca 0.11 0.38 -0.34 0.00 -0.03 0.00 0.00 56.01 56.12 1h38 n LEU 443 Cb 0.62 -0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 1h38 n LEU 443 CO 0.37 0.02 -0.34 -0.76 -1.33 0.00 0.00 177.39 175.35 1h38 s LEU 444 N -3.11 3.41 0.05 2.23 1.43 0.31 -0.12 118.68 122.88 1h38 s LEU 444 Ca 0.13 0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.18 1h38 s LEU 444 Cb 0.18 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.64 1h38 s LEU 444 CO 0.58 0.36 0.25 0.28 0.23 0.00 0.00 176.35 178.04 1h38 s THR 445 N -0.76 0.10 0.44 5.49 -1.32 -0.18 -4.79 115.64 114.62 1h38 s THR 445 Ca 0.12 -0.82 -0.22 0.00 -1.21 0.00 0.00 61.69 59.55 1h38 s THR 445 Cb -0.11 -0.98 -0.09 0.00 -1.51 0.00 0.00 72.50 69.81 1h38 s THR 445 CO 0.02 -0.45 1.03 -0.76 -2.21 0.00 0.00 174.62 172.25 1h38 s LEU 446 N -2.18 4.00 0.05 9.08 1.43 -1.09 0.16 118.68 130.13 1h38 s LEU 446 Ca -0.04 1.95 -0.14 0.00 -1.03 0.00 0.00 54.13 54.88 1h38 s LEU 446 Cb -0.00 -4.37 -0.32 0.00 0.03 0.00 0.00 46.19 41.53 1h38 s LEU 446 CO -0.05 -0.59 1.06 0.00 0.23 0.00 0.00 176.35 177.01 1h38 h ALA 447 N 2.07 -0.07 -2.66 4.21 0.00 -1.10 -3.43 119.26 118.28 1h38 h ALA 447 Ca -0.49 -0.82 -0.72 0.00 0.00 0.00 0.00 54.91 52.87 1h38 h ALA 447 Cb 1.21 0.13 -0.28 0.00 0.00 0.00 0.00 17.79 18.85 1h38 h ALA 447 CO 0.61 0.72 -0.41 -1.59 0.00 0.00 0.00 179.25 178.58 1h38 s LYS 448 N -2.78 2.58 0.39 0.00 -2.85 -1.26 -5.01 119.74 110.81 1h38 s LYS 448 Ca -0.09 -1.61 0.04 0.00 -1.00 0.00 0.00 55.97 53.31 1h38 s LYS 448 Cb 0.05 -3.89 0.07 0.00 -2.06 0.00 0.00 37.83 32.00 1h38 s LYS 448 CO 0.94 -1.09 0.54 0.41 0.10 0.00 0.00 175.35 176.24 1h38 n GLY 449 N 4.94 1.58 3.14 0.59 0.00 -1.26 -4.91 105.19 109.27 1h38 n GLY 449 Ca -0.09 -2.13 -0.08 0.00 0.00 0.00 0.00 46.02 43.71 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 -3.77 0.79 0.13 1.61 1.02 -0.97 -4.87 119.74 113.68 1h38 s LYS 450 Ca 0.39 -1.26 -0.32 0.00 0.02 0.00 0.00 55.97 54.80 1h38 s LYS 450 Cb -0.03 0.25 -0.11 0.00 -0.52 0.00 0.00 37.83 37.42 1h38 s LYS 450 CO 0.25 -0.20 1.79 -2.30 -0.92 0.00 0.00 175.35 173.97 1h38 n PRO 451 N -0.01 2.67 0.12 -1.68 -0.02 -1.26 -2.13 135.00 132.70 1h38 n PRO 451 Ca -0.11 0.97 -0.14 0.00 -2.02 0.00 0.00 63.50 62.21 1h38 n PRO 451 Cb 0.62 -2.84 -0.07 0.00 -0.02 0.00 0.00 33.50 31.20 1h38 n PRO 451 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1h38 h ILE 452 N 4.43 0.23 -0.92 4.25 6.09 -0.57 -3.44 117.51 127.59 1h38 h ILE 452 Ca -0.46 0.00 0.10 0.00 -1.37 0.00 0.00 64.86 63.13 1h38 h ILE 452 Cb 1.23 0.23 -0.04 0.00 0.47 0.00 0.00 36.82 38.70 1h38 h ILE 452 CO 0.94 0.00 -0.27 0.61 -3.07 0.00 0.00 178.15 176.36 1h38 n GLY 453 N -1.45 -2.29 0.34 8.18 0.00 0.13 -3.32 105.19 106.78 1h38 n GLY 453 Ca -0.07 -1.38 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 1h38 n GLY 453 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1h38 h LYS 454 N -0.38 -0.38 0.36 1.61 3.64 -1.95 -1.56 116.57 117.93 1h38 h LYS 454 Ca -0.03 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1h38 h LYS 454 Cb 0.37 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1h38 h LYS 454 CO 0.01 -0.25 -0.33 1.49 -2.27 0.00 0.00 179.45 178.11 1h38 h GLU 455 N -0.39 -0.68 -0.71 1.90 4.57 -1.97 -1.90 114.58 115.39 1h38 h GLU 455 Ca 0.10 0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.38 1h38 h GLU 455 Cb 0.56 0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 29.25 1h38 h GLU 455 CO -0.39 -0.45 0.42 0.78 -1.18 0.00 0.00 179.01 178.19 1h38 h GLY 456 N -0.71 1.05 0.89 1.92 0.00 -1.53 -1.69 103.07 103.01 1h38 h GLY 456 Ca -0.03 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.04 1h38 h GLY 456 CO -0.04 0.20 0.60 -1.82 0.00 0.00 0.00 176.54 175.48 1h38 h TYR 457 N 0.78 1.12 -0.53 5.60 3.20 -1.08 0.15 116.97 126.21 1h38 h TYR 457 Ca 0.31 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 1h38 h TYR 457 Cb 0.15 -0.37 -0.03 0.00 1.54 0.00 0.00 36.73 38.03 1h38 h TYR 457 CO -0.06 0.65 0.31 -0.92 -1.64 0.00 0.00 178.16 176.50 1h38 h TYR 458 N 1.16 0.71 -0.15 -3.82 3.20 -0.50 -1.79 116.97 115.79 1h38 h TYR 458 Ca 0.36 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 62.11 1h38 h TYR 458 Cb -0.01 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 1h38 h TYR 458 CO -0.01 0.50 -0.43 -1.49 -1.64 0.00 0.00 178.16 175.09 1h38 h TRP 459 N 0.72 0.41 -0.51 -3.82 4.06 -0.78 -2.13 115.95 113.89 1h38 h TRP 459 Ca 0.19 -0.12 0.09 0.00 2.06 0.00 0.00 58.89 61.12 1h38 h TRP 459 Cb 0.01 -0.09 -0.08 0.00 -1.00 0.00 0.00 29.16 28.00 1h38 h TRP 459 CO -0.02 0.72 0.05 1.25 -3.56 0.00 0.00 178.44 176.88 1h38 h LEU 460 N 0.29 -0.11 -0.61 -4.49 5.85 0.05 -1.45 115.31 114.83 1h38 h LEU 460 Ca 0.02 0.11 -0.14 0.00 0.84 0.00 0.00 57.88 58.71 1h38 h LEU 460 Cb 0.87 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1h38 h LEU 460 CO 0.07 -0.03 -0.47 0.11 -0.34 0.00 0.00 178.44 177.78 1h38 h LYS 461 N 0.18 0.55 -0.08 1.25 1.57 -1.07 -2.12 116.57 116.83 1h38 h LYS 461 Ca 0.26 -0.31 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1h38 h LYS 461 Cb 0.37 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 1h38 h LYS 461 CO -0.38 0.90 -0.13 0.82 -0.57 0.00 0.00 179.45 180.10 1h38 h ILE 462 N 0.44 0.66 -0.98 1.86 1.08 -0.64 -1.02 117.51 118.91 1h38 h ILE 462 Ca 0.02 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.62 1h38 h ILE 462 Cb 0.99 0.66 -0.08 0.00 -3.07 0.00 0.00 36.82 35.32 1h38 h ILE 462 CO 0.09 0.00 0.62 -0.74 -0.69 0.00 0.00 178.15 177.43 1h38 h HIS 463 N -0.17 1.08 -0.25 1.37 2.76 -1.19 -0.36 115.15 118.39 1h38 h HIS 463 Ca 0.07 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 1h38 h HIS 463 Cb 0.28 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 1h38 h HIS 463 CO -0.22 0.43 0.12 0.78 -1.30 0.00 0.00 177.93 177.74 1h38 h GLY 464 N 0.94 0.38 0.82 5.26 0.00 -0.62 0.94 103.07 110.79 1h38 h GLY 464 Ca 0.48 -0.19 0.07 0.00 0.00 0.00 0.00 47.33 47.69 1h38 h GLY 464 CO -0.25 0.18 0.59 0.00 0.00 0.00 0.00 176.54 177.06 1h38 h ALA 465 N 0.98 1.53 -0.18 3.60 0.00 0.13 -1.51 119.26 123.80 1h38 h ALA 465 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1h38 h ALA 465 Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1h38 h ALA 465 CO -0.01 0.32 0.07 -0.91 0.00 0.00 0.00 179.25 178.73 1h38 h ASN 466 N 1.01 0.26 0.10 0.00 2.35 -0.38 0.14 115.58 119.05 1h38 h ASN 466 Ca 0.40 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 1h38 h ASN 466 Cb 0.24 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 1h38 h ASN 466 CO -0.15 0.35 -0.03 0.00 -1.65 0.00 0.00 177.43 175.95 1h38 n ALA 468 N -2.30 2.50 -0.57 0.00 0.00 -0.63 -1.11 120.51 118.40 1h38 n ALA 468 Ca -0.03 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1h38 n ALA 468 Cb 0.12 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 1.22 0.77 2.77 0.00 0.00 -0.02 -4.16 105.19 105.77 1h38 n GLY 469 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.15 4.60 -0.16 1.61 0.31 0.43 -4.50 118.33 118.47 1h38 n VAL 470 Ca 0.00 -4.42 0.02 0.00 -0.01 0.00 0.00 64.34 59.92 1h38 n VAL 470 Cb 0.00 -2.28 0.03 0.00 -0.91 0.00 0.00 33.84 30.68 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 3.24 2.08 -1.39 4.52 5.68 -1.26 -4.17 116.55 125.25 1h38 n ASP 471 Ca 0.45 -2.16 -0.11 0.00 -0.50 0.00 0.00 54.79 52.47 1h38 n ASP 471 Cb 0.33 -0.07 0.11 0.00 -1.14 0.00 0.00 41.12 40.35 1h38 n ASP 471 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1h38 n LYS 472 N -0.61 2.68 -3.90 0.11 3.00 -1.26 -4.99 118.16 113.18 1h38 n LYS 472 Ca 0.03 -3.76 -0.10 0.00 -0.00 0.00 0.00 58.31 54.47 1h38 n LYS 472 Cb 0.31 -1.98 -0.10 0.00 0.00 0.00 0.00 35.03 33.26 1h38 n LYS 472 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1h38 s VAL 473 N -3.98 0.10 0.66 3.15 0.11 -1.26 -4.62 120.40 114.55 1h38 s VAL 473 Ca 0.45 -0.80 -0.17 0.00 -2.93 0.00 0.00 61.98 58.53 1h38 s VAL 473 Cb 0.39 -0.46 -0.01 0.00 -1.53 0.00 0.00 36.38 34.77 1h38 s VAL 473 CO -0.01 -0.44 1.13 -0.81 -3.33 0.00 0.00 175.10 171.64 1h38 n PRO 474 N 1.38 0.89 -0.26 1.54 -0.04 -1.26 -4.69 135.00 132.56 1h38 n PRO 474 Ca -0.23 0.36 0.07 0.00 -0.04 0.00 0.00 63.50 63.66 1h38 n PRO 474 Cb 0.56 -2.36 0.20 0.00 -0.04 0.00 0.00 33.50 31.86 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 0.30 0.38 -0.81 0.54 0.04 -1.98 0.06 116.94 115.47 1h38 h PHE 475 Ca -0.49 0.04 0.08 0.00 2.80 0.00 0.00 57.97 60.40 1h38 h PHE 475 Cb 1.35 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 39.39 1h38 h PHE 475 CO 0.40 -0.05 0.53 -1.00 -0.60 0.00 0.00 178.31 177.59 1h38 h PRO 476 N 0.33 0.80 0.00 1.51 0.13 -2.00 0.22 132.00 133.00 1h38 h PRO 476 Ca 0.44 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 65.45 1h38 h PRO 476 Cb 0.74 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1h38 h PRO 476 CO -0.49 0.53 -0.33 0.93 -0.23 0.00 0.00 178.00 178.41 1h38 h GLU 477 N 0.83 0.00 -0.34 0.86 5.08 -1.33 0.25 114.58 119.93 1h38 h GLU 477 Ca 0.36 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.56 1h38 h GLU 477 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1h38 h GLU 477 CO -0.13 0.33 -0.42 0.00 -1.00 0.00 0.00 179.01 177.79 1h38 h ARG 478 N 0.00 0.85 -0.27 2.33 3.08 -0.27 -1.32 114.38 118.78 1h38 h ARG 478 Ca -0.00 -0.46 -0.15 0.00 0.07 0.00 0.00 59.98 59.43 1h38 h ARG 478 Cb 0.58 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1h38 h ARG 478 CO 0.04 1.10 -0.45 0.82 -1.07 0.00 0.00 179.97 180.41 1h38 h ILE 479 N 0.69 1.29 -0.07 2.04 1.08 -0.52 -2.49 117.51 119.53 1h38 h ILE 479 Ca 0.05 -1.64 0.02 0.00 -0.39 0.00 0.00 64.86 62.90 1h38 h ILE 479 Cb 0.99 1.56 -0.03 0.00 -3.07 0.00 0.00 36.82 36.28 1h38 h ILE 479 CO 0.10 0.53 -0.07 0.50 -0.69 0.00 0.00 178.15 178.51 1h38 h LYS 480 N 0.56 -0.09 -0.49 2.37 1.63 -0.82 -0.25 116.57 119.49 1h38 h LYS 480 Ca 0.04 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 59.94 1h38 h LYS 480 Cb 1.00 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 32.57 1h38 h LYS 480 CO 0.09 -0.06 0.00 0.35 -3.45 0.00 0.00 179.45 176.38 1h38 h PHE 481 N -0.10 -0.03 -0.65 1.91 3.57 -1.04 0.26 116.94 120.86 1h38 h PHE 481 Ca 0.05 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 1h38 h PHE 481 Cb 0.17 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1h38 h PHE 481 CO -0.17 -0.11 0.23 0.82 -2.23 0.00 0.00 178.31 176.84 1h38 h ILE 482 N 0.12 1.25 -0.46 1.41 1.08 -1.05 -2.65 117.51 117.19 1h38 h ILE 482 Ca 0.24 -0.82 -0.14 0.00 -0.39 0.00 0.00 64.86 63.76 1h38 h ILE 482 Cb 0.36 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 1h38 h ILE 482 CO -0.40 0.32 -0.24 -0.33 -0.69 0.00 0.00 178.15 176.80 1h38 h GLU 483 N 0.94 0.98 0.00 2.37 5.08 0.21 -1.76 114.58 122.39 1h38 h GLU 483 Ca 0.21 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 1h38 h GLU 483 Cb 0.26 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1h38 h GLU 483 CO -0.01 1.11 -0.08 0.93 -1.00 0.00 0.00 179.01 179.96 1h38 h GLU 484 N 0.83 0.00 -0.60 2.33 5.08 -0.49 -1.99 114.58 119.74 1h38 h GLU 484 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1h38 h GLU 484 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1h38 h GLU 484 CO 0.07 0.08 0.00 0.09 -1.00 0.00 0.00 179.01 178.25 1h38 n ASN 485 N -3.59 4.15 -0.33 1.42 4.13 -0.86 -4.64 115.26 115.54 1h38 n ASN 485 Ca -0.02 -2.27 0.24 0.00 1.68 0.00 0.00 54.58 54.21 1h38 n ASN 485 Cb 0.20 -0.49 0.45 0.00 -1.54 0.00 0.00 39.78 38.41 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 3.65 0.44 -0.23 3.10 2.76 -0.54 0.27 115.15 124.60 1h38 h HIS 486 Ca 0.00 0.05 -0.19 0.00 -2.20 0.00 0.00 60.37 58.04 1h38 h HIS 486 Cb 1.19 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.12 1h38 h HIS 486 CO 0.57 -0.45 -0.58 0.93 -1.30 0.00 0.00 177.93 177.10 1h38 h GLU 487 N 0.01 0.81 -0.68 5.26 4.39 -1.84 -1.95 114.58 120.58 1h38 h GLU 487 Ca 0.74 -0.56 0.03 0.00 0.34 0.00 0.00 59.36 59.91 1h38 h GLU 487 Cb 1.78 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 30.48 1h38 h GLU 487 CO -0.83 1.18 0.43 -0.91 -1.16 0.00 0.00 179.01 177.72 1h38 h ASN 488 N 0.56 0.71 0.22 1.42 2.35 -0.86 -0.68 115.58 119.31 1h38 h ASN 488 Ca -0.01 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1h38 h ASN 488 Cb 1.20 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.42 1h38 h ASN 488 CO 0.13 0.50 -0.11 0.40 -1.65 0.00 0.00 177.43 176.70 1h38 h ILE 489 N 0.85 0.84 -0.40 2.81 2.04 -1.14 -1.59 117.51 120.92 1h38 h ILE 489 Ca 0.27 -0.40 0.07 0.00 1.00 0.00 0.00 64.86 65.80 1h38 h ILE 489 Cb 0.00 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1h38 h ILE 489 CO -0.10 0.09 0.27 0.24 0.00 0.00 0.00 178.15 178.65 1h38 h MET 490 N -0.50 0.21 0.47 2.37 2.86 -1.15 -0.28 114.93 118.90 1h38 h MET 490 Ca -0.03 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1h38 h MET 490 Cb 0.38 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1h38 h MET 490 CO 0.05 0.14 -0.22 0.00 1.06 0.00 0.00 176.91 177.94 1h38 h ALA 491 N 1.79 -0.63 -0.11 6.32 0.00 -0.79 -0.86 119.26 124.98 1h38 h ALA 491 Ca 0.18 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1h38 h ALA 491 Cb 0.43 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1h38 h ALA 491 CO -0.03 -0.75 0.09 0.00 0.00 0.00 0.00 179.25 178.55 1h38 h ALA 493 N 1.93 0.01 0.09 0.00 0.00 -0.94 -2.50 119.26 117.85 1h38 h ALA 493 Ca 0.05 -0.76 -0.00 0.00 0.00 0.00 0.00 54.91 54.20 1h38 h ALA 493 Cb 0.23 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1h38 h ALA 493 CO -0.00 0.69 -0.04 -0.22 0.00 0.00 0.00 179.25 179.67 1h38 h LYS 494 N 0.29 -0.12 -2.38 0.00 3.64 -0.32 -3.40 116.57 114.29 1h38 h LYS 494 Ca -0.18 0.01 -0.59 0.00 -1.27 0.00 0.00 60.65 58.62 1h38 h LYS 494 Cb 1.89 0.03 -0.39 0.00 -0.41 0.00 0.00 32.23 33.35 1h38 h LYS 494 CO 0.24 0.24 -0.94 0.43 -2.27 0.00 0.00 179.45 177.15 1h38 n SER 495 N -4.97 0.23 -0.14 4.20 7.64 0.08 -5.00 113.62 115.66 1h38 n SER 495 Ca -0.08 -2.58 0.08 0.00 1.01 0.00 0.00 58.87 57.30 1h38 n SER 495 Cb 0.22 -0.60 0.40 0.00 -1.01 0.00 0.00 64.21 63.22 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 5.25 0.62 0.00 1.43 0.13 -1.63 -0.36 132.00 137.44 1h38 h PRO 496 Ca 0.22 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1h38 h PRO 496 Cb 0.88 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1h38 h PRO 496 CO 0.45 0.41 0.00 -0.07 -0.23 0.00 0.00 178.00 178.56 1h38 h LEU 497 N 0.64 0.00 0.00 1.56 3.38 -1.94 -3.12 115.31 115.83 1h38 h LEU 497 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1h38 h LEU 497 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1h38 h LEU 497 CO -0.09 0.00 -1.06 -0.62 0.09 0.00 0.00 178.44 176.76 1h38 n GLU 498 N -2.35 0.66 -3.94 1.13 1.02 -0.23 -4.85 120.64 112.09 1h38 n GLU 498 Ca 0.03 -0.03 -0.30 0.00 -0.02 0.00 0.00 57.16 56.85 1h38 n GLU 498 Cb 0.32 -1.41 -0.16 0.00 -0.02 0.00 0.00 31.44 30.17 1h38 n GLU 498 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1h38 s ASN 499 N -3.03 3.64 0.00 1.62 0.01 -0.70 -4.99 114.94 111.48 1h38 s ASN 499 Ca 0.05 -1.06 0.29 0.00 -0.71 0.00 0.00 52.86 51.43 1h38 s ASN 499 Cb 0.14 -1.14 1.25 0.00 0.41 0.00 0.00 41.25 41.91 1h38 s ASN 499 CO 0.79 -0.22 1.86 0.35 -1.51 0.00 0.00 177.10 178.38 1h38 n THR 500 N 4.71 0.00 -0.28 1.60 -2.24 -1.26 -4.23 114.28 112.58 1h38 n THR 500 Ca -0.12 -0.13 0.09 0.00 -2.27 0.00 0.00 64.05 61.62 1h38 n THR 500 Cb 0.45 0.11 0.24 0.00 -2.10 0.00 0.00 70.33 69.02 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 1.21 0.31 -0.64 4.78 7.01 -1.94 0.87 115.95 127.56 1h38 h TRP 501 Ca 0.00 0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.07 1h38 h TRP 501 Cb 0.35 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.37 1h38 h TRP 501 CO 0.00 -0.15 0.40 0.11 -2.79 0.00 0.00 178.44 176.01 1h38 h TRP 502 N 0.24 0.75 0.00 2.65 5.08 -1.94 -1.42 115.95 121.31 1h38 h TRP 502 Ca 0.49 0.02 0.00 0.00 1.08 0.00 0.00 58.89 60.48 1h38 h TRP 502 Cb 0.91 -0.25 0.00 0.00 -3.00 0.00 0.00 29.16 26.82 1h38 h TRP 502 CO -0.27 0.44 0.00 0.00 -1.28 0.00 0.00 178.44 177.33 1h38 n ALA 503 N -2.30 1.26 1.28 0.11 0.00 0.27 -1.45 120.51 119.68 1h38 n ALA 503 Ca 0.06 0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.73 1h38 n ALA 503 Cb 0.07 -1.28 0.40 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.07 1.70 -3.14 0.00 1.02 -0.53 -4.77 120.64 112.84 1h38 n GLU 504 Ca 0.00 -1.05 -0.26 0.00 -0.02 0.00 0.00 57.16 55.83 1h38 n GLU 504 Cb 0.09 -1.40 -0.01 0.00 -0.02 0.00 0.00 31.44 30.10 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 -1.82 3.53 0.35 3.49 -1.52 -0.53 -4.96 119.66 118.20 1h38 s GLN 505 Ca 0.33 -0.11 0.14 0.00 -1.95 0.00 0.00 55.36 53.78 1h38 s GLN 505 Cb 0.18 -2.57 1.04 0.00 -0.22 0.00 0.00 33.01 31.44 1h38 s GLN 505 CO 0.27 0.05 1.70 -0.44 -0.25 0.00 0.00 175.29 176.62 1h38 h ASP 506 N 0.74 0.55 -2.19 5.90 3.45 -1.72 -2.61 116.42 120.55 1h38 h ASP 506 Ca -0.49 0.15 -0.59 0.00 0.43 0.00 0.00 57.03 56.54 1h38 h ASP 506 Cb 1.21 0.08 -0.42 0.00 -0.56 0.00 0.00 39.33 39.64 1h38 h ASP 506 CO 0.62 -0.02 -0.69 -1.20 -1.57 0.00 0.00 179.24 176.38 1h38 n SER 507 N -4.91 3.41 -0.14 6.45 7.64 -0.26 -5.02 113.62 120.79 1h38 n SER 507 Ca 0.30 -3.40 -0.04 0.00 1.01 0.00 0.00 58.87 56.73 1h38 n SER 507 Cb 0.91 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 63.44 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 0.59 -0.15 -0.08 1.43 -0.04 -0.99 -0.24 135.00 135.52 1h38 n PRO 508 Ca 0.29 0.95 -0.14 0.00 -0.04 0.00 0.00 63.50 64.56 1h38 n PRO 508 Cb 0.43 -1.40 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.91 -0.76 0.54 0.04 -1.88 -0.05 116.94 115.73 1h38 h PHE 509 Ca 0.05 -0.30 0.12 0.00 2.80 0.00 0.00 57.97 60.65 1h38 h PHE 509 Cb 0.14 -0.18 -0.09 0.00 2.20 0.00 0.00 35.95 38.03 1h38 h PHE 509 CO -0.76 1.07 0.36 0.00 -0.60 0.00 0.00 178.31 178.39 1h38 h PHE 511 N 0.56 0.61 -0.65 0.00 3.57 -0.17 -0.87 116.94 119.98 1h38 h PHE 511 Ca 0.40 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.85 1h38 h PHE 511 Cb 0.53 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1h38 h PHE 511 CO -0.12 0.41 0.19 1.25 -2.23 0.00 0.00 178.31 177.81 1h38 h LEU 512 N 0.62 0.94 -0.49 0.59 5.85 0.46 0.12 115.31 123.39 1h38 h LEU 512 Ca 0.17 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1h38 h LEU 512 Cb -0.02 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 1h38 h LEU 512 CO -0.03 0.88 0.27 0.00 -0.34 0.00 0.00 178.44 179.22 1h38 h ALA 513 N 1.24 0.63 0.01 1.25 0.00 0.10 -1.72 119.26 120.78 1h38 h ALA 513 Ca 0.21 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1h38 h ALA 513 Cb 0.30 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1h38 h ALA 513 CO -0.01 -0.06 -0.01 0.35 0.00 0.00 0.00 179.25 179.52 1h38 h PHE 514 N 0.53 -0.03 -0.69 0.00 3.04 -0.35 -2.49 116.94 116.95 1h38 h PHE 514 Ca 0.21 0.00 0.13 0.00 3.98 0.00 0.00 57.97 62.28 1h38 h PHE 514 Cb 0.07 0.01 -0.13 0.00 2.56 0.00 0.00 35.95 38.47 1h38 h PHE 514 CO -0.08 -0.02 -0.29 0.00 -2.02 0.00 0.00 178.31 175.89 1h38 h PHE 516 N -0.09 -0.34 -0.84 0.00 0.04 -1.08 0.29 116.94 114.93 1h38 h PHE 516 Ca 0.29 0.01 0.07 0.00 2.80 0.00 0.00 57.97 61.14 1h38 h PHE 516 Cb 0.56 0.15 -0.06 0.00 2.20 0.00 0.00 35.95 38.79 1h38 h PHE 516 CO -0.65 -0.20 0.51 0.93 -0.60 0.00 0.00 178.31 178.30 1h38 h GLU 517 N -0.23 0.87 -0.44 1.51 4.39 -0.83 -0.98 114.58 118.87 1h38 h GLU 517 Ca 0.04 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1h38 h GLU 517 Cb 0.28 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1h38 h GLU 517 CO -0.12 0.58 0.19 -0.92 -1.16 0.00 0.00 179.01 177.59 1h38 h TYR 518 N 0.90 0.66 -0.17 4.33 5.03 0.38 -1.92 116.97 126.17 1h38 h TYR 518 Ca 0.38 -0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.64 1h38 h TYR 518 Cb 0.24 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.31 1h38 h TYR 518 CO -0.04 0.55 0.05 0.00 -1.32 0.00 0.00 178.16 177.40 1h38 h ALA 519 N 1.04 1.77 -0.45 1.82 0.00 -0.32 -2.24 119.26 120.88 1h38 h ALA 519 Ca 0.15 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1h38 h ALA 519 Cb 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1h38 h ALA 519 CO -0.02 0.18 0.07 0.78 0.00 0.00 0.00 179.25 180.27 1h38 h GLY 520 N 0.38 0.81 0.99 0.00 0.00 -0.43 -2.63 103.07 102.19 1h38 h GLY 520 Ca 0.06 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 46.86 1h38 h GLY 520 CO -0.00 0.50 0.47 -2.08 0.00 0.00 0.00 176.54 175.42 1h38 h VAL 521 N 0.61 1.17 -1.01 4.60 2.07 -0.95 0.28 116.25 123.02 1h38 h VAL 521 Ca 0.14 -0.32 0.08 0.00 0.82 0.00 0.00 66.70 67.41 1h38 h VAL 521 Cb 0.38 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.22 1h38 h VAL 521 CO 0.01 0.17 0.65 1.56 0.02 0.00 0.00 177.57 179.98 1h38 h GLN 522 N 0.95 1.11 0.24 1.57 1.08 -1.25 0.87 115.11 119.68 1h38 h GLN 522 Ca 0.26 -0.07 -0.34 0.00 -1.45 0.00 0.00 58.65 57.05 1h38 h GLN 522 Cb -0.09 -0.25 0.03 0.00 -0.05 0.00 0.00 27.48 27.12 1h38 h GLN 522 CO -0.06 0.73 -1.54 0.45 -0.95 0.00 0.00 178.83 177.45 1h38 h HIS 523 N 1.14 0.94 0.00 2.96 3.86 -1.01 -3.38 115.15 119.65 1h38 h HIS 523 Ca 0.45 -0.68 -0.04 0.00 -1.16 0.00 0.00 60.37 58.93 1h38 h HIS 523 Cb 0.24 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1h38 h HIS 523 CO -0.00 1.59 -1.88 0.72 0.86 0.00 0.00 177.93 179.22 1h38 n HIS 524 N -3.69 0.18 0.00 2.45 8.25 0.92 -5.11 115.22 118.21 1h38 n HIS 524 Ca -0.19 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1h38 n HIS 524 Cb 1.10 -0.64 0.00 0.00 1.12 0.00 0.00 29.99 31.57 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 1.30 -0.06 0.00 -1.41 0.00 0.30 -4.36 105.19 100.96 1h38 n GLY 525 Ca -0.07 -1.87 0.02 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.61 0.00 0.05 0.99 4.77 -1.26 -1.22 117.00 119.72 1h38 n LEU 526 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1h38 n LEU 526 Cb 0.00 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.21 1h38 n LEU 526 CO 0.00 0.00 0.23 -1.54 -1.33 0.00 0.00 177.39 174.75 1h38 n SER 527 N -0.80 0.66 -4.61 -1.43 3.41 -1.26 -0.70 113.62 108.89 1h38 n SER 527 Ca 0.04 -0.00 -0.63 0.00 -0.26 0.00 0.00 58.87 58.02 1h38 n SER 527 Cb 0.02 0.39 -0.09 0.00 -0.26 0.00 0.00 64.21 64.27 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 -2.04 1.16 -2.76 7.33 9.36 -0.36 -4.26 117.16 125.59 1h38 n TYR 528 Ca 0.03 1.08 -0.43 0.00 3.32 0.00 0.00 57.90 61.89 1h38 n TYR 528 Cb 0.44 -2.16 -0.03 0.00 -0.63 0.00 0.00 39.34 36.95 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 1.35 6.59 0.03 2.98 3.04 -1.26 -0.08 114.94 127.59 1h38 s ASN 529 Ca 0.97 0.34 0.06 0.00 0.04 0.00 0.00 52.86 54.27 1h38 s ASN 529 Cb -1.35 -2.48 -0.03 0.00 -1.54 0.00 0.00 41.25 35.85 1h38 s ASN 529 CO 0.67 -1.04 -0.17 0.00 -3.04 0.00 0.00 177.10 173.53 1h38 n SER 531 N 1.60 0.61 -4.75 0.00 3.41 -1.26 -2.29 113.62 110.95 1h38 n SER 531 Ca -0.16 -1.88 -0.41 0.00 -0.26 0.00 0.00 58.87 56.16 1h38 n SER 531 Cb 0.52 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 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 -0.59 4.42 -0.42 1.04 2.96 -1.26 -2.67 118.68 122.16 1h38 s LEU 532 Ca 0.05 2.56 -0.28 0.00 -0.22 0.00 0.00 54.13 56.24 1h38 s LEU 532 Cb 0.05 -3.63 0.02 0.00 0.50 0.00 0.00 46.19 43.13 1h38 s LEU 532 CO 0.00 -0.56 1.06 -2.16 -1.32 0.00 0.00 176.35 173.37 1h38 s PRO 533 N -0.79 3.79 -0.16 0.98 0.04 -1.26 -3.84 135.00 133.77 1h38 s PRO 533 Ca 0.54 0.62 -0.22 0.00 0.04 0.00 0.00 61.00 61.98 1h38 s PRO 533 Cb -0.39 -3.86 -0.03 0.00 0.04 0.00 0.00 34.50 30.27 1h38 s PRO 533 CO 0.44 -1.18 0.66 -0.51 0.04 0.00 0.00 177.00 176.46 1h38 s LEU 534 N 4.01 4.20 -0.15 -3.56 1.43 0.12 -4.79 118.68 119.94 1h38 s LEU 534 Ca 0.44 0.97 -0.08 0.00 -1.03 0.00 0.00 54.13 54.42 1h38 s LEU 534 Cb -0.09 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 1h38 s LEU 534 CO 0.25 -0.23 0.14 0.00 0.23 0.00 0.00 176.35 176.74 1h38 s ALA 535 N 1.57 3.79 -0.28 4.21 0.00 -1.26 -2.73 121.76 127.06 1h38 s ALA 535 Ca 0.32 -0.66 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 1h38 s ALA 535 Cb -0.16 -2.07 0.03 0.00 0.00 0.00 0.00 23.12 20.92 1h38 s ALA 535 CO 0.12 0.41 -0.00 -0.06 0.00 0.00 0.00 175.76 176.23 1h38 s PHE 536 N -0.40 3.16 -0.04 0.00 0.08 0.17 -4.94 117.98 116.00 1h38 s PHE 536 Ca 0.12 -1.52 -0.02 0.00 0.12 0.00 0.00 56.93 55.63 1h38 s PHE 536 Cb -0.12 -2.13 -0.04 0.00 -0.57 0.00 0.00 43.02 40.17 1h38 s PHE 536 CO 0.01 -0.72 0.08 -0.51 -0.10 0.00 0.00 175.22 173.98 1h38 s ASP 537 N 1.34 5.72 0.35 1.36 1.01 -1.26 -1.82 116.67 123.37 1h38 s ASP 537 Ca -0.01 0.20 -0.25 0.00 0.71 0.00 0.00 52.55 53.19 1h38 s ASP 537 Cb -0.18 -1.67 -0.10 0.00 1.01 0.00 0.00 42.92 41.98 1h38 s ASP 537 CO -0.01 0.31 0.98 -0.83 0.21 0.00 0.00 175.17 175.82 1h38 s GLY 538 N -1.49 2.75 0.00 0.21 0.00 -0.58 -3.87 107.32 104.34 1h38 s GLY 538 Ca 0.20 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.49 1h38 s GLY 538 CO 0.11 0.99 0.00 1.44 0.00 0.00 0.00 173.10 175.64 1h38 n SER 539 N 0.30 0.00 -3.81 1.64 7.64 -1.26 -4.37 113.62 113.75 1h38 n SER 539 Ca 0.03 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.60 1h38 n SER 539 Cb 0.50 0.00 -0.08 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 1.61 -0.20 0.09 0.00 3.41 -1.26 0.12 113.62 117.39 1h38 n SER 541 Ca 0.24 1.13 -0.05 0.00 -0.26 0.00 0.00 58.87 59.93 1h38 n SER 541 Cb 0.37 -0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 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 -0.86 1.90 5.00 0.00 -1.95 -0.39 103.07 106.76 1h38 h GLY 542 Ca 0.34 0.38 0.01 0.00 0.00 0.00 0.00 47.33 48.06 1h38 h GLY 542 CO -0.67 -0.30 0.04 -2.22 0.00 0.00 0.00 176.54 173.40 1h38 h ILE 543 N -0.30 0.62 0.28 2.60 2.04 -0.74 -1.58 117.51 120.43 1h38 h ILE 543 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1h38 h ILE 543 Cb 0.26 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1h38 h ILE 543 CO -0.02 0.00 -0.14 1.56 0.00 0.00 0.00 178.15 179.56 1h38 h GLN 544 N 0.00 -0.36 -0.65 2.37 4.20 0.20 -1.08 115.11 119.78 1h38 h GLN 544 Ca 0.02 0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 1h38 h GLN 544 Cb 0.10 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 1h38 h GLN 544 CO -0.00 -0.17 0.13 0.45 -0.67 0.00 0.00 178.83 178.57 1h38 h HIS 545 N -0.48 1.12 -0.53 2.96 3.86 -0.27 -0.08 115.15 121.74 1h38 h HIS 545 Ca -0.04 -0.14 -0.04 0.00 -1.16 0.00 0.00 60.37 58.98 1h38 h HIS 545 Cb 0.36 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1h38 h HIS 545 CO -0.03 0.94 0.15 0.74 0.86 0.00 0.00 177.93 180.58 1h38 h PHE 546 N 0.98 0.81 0.00 2.45 0.04 -1.24 -0.64 116.94 119.34 1h38 h PHE 546 Ca 0.20 -0.06 -0.08 0.00 2.80 0.00 0.00 57.97 60.83 1h38 h PHE 546 Cb 0.40 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1h38 h PHE 546 CO 0.03 0.67 -0.36 0.77 -0.60 0.00 0.00 178.31 178.82 1h38 h SER 547 N 0.77 0.00 0.07 2.17 0.02 -0.69 -2.96 113.55 112.93 1h38 h SER 547 Ca 0.17 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.01 1h38 h SER 547 Cb 0.26 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.81 1h38 h SER 547 CO -0.01 0.36 -0.48 0.00 -1.14 0.00 0.00 176.83 175.56 1h38 h ALA 548 N 1.64 -0.04 0.00 3.77 0.00 -0.06 -0.31 119.26 124.26 1h38 h ALA 548 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1h38 h ALA 548 Cb 0.87 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1h38 h ALA 548 CO 0.05 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1h38 n MET 549 N -4.32 0.01 -0.31 0.00 0.00 -0.34 -1.89 117.12 110.27 1h38 n MET 549 Ca -0.12 0.38 0.06 0.00 0.00 0.00 0.00 57.70 58.02 1h38 n MET 549 Cb 0.67 -1.53 0.09 0.00 0.00 0.00 0.00 33.22 32.46 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 -1.55 1.51 -4.28 3.17 4.77 -1.12 -4.94 117.00 114.56 1h38 n LEU 550 Ca 0.02 -2.38 -0.32 0.00 -0.03 0.00 0.00 56.01 53.30 1h38 n LEU 550 Cb 0.09 -0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 40.82 1h38 n LEU 550 CO 0.07 0.59 -0.38 0.54 -1.33 0.00 0.00 177.39 176.88 1h38 n ARG 551 N -0.84 -0.89 -2.73 3.23 5.12 -0.79 -1.18 116.66 118.57 1h38 n ARG 551 Ca 0.10 0.10 -0.43 0.00 -1.93 0.00 0.00 57.85 55.69 1h38 n ARG 551 Cb 0.68 -3.68 -0.03 0.00 -1.16 0.00 0.00 32.46 28.28 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 -4.03 6.98 -0.15 0.55 -1.08 -0.16 -1.52 116.67 117.27 1h38 s ASP 552 Ca 0.20 1.20 -0.26 0.00 -0.52 0.00 0.00 52.55 53.17 1h38 s ASP 552 Cb -0.12 -2.51 -0.23 0.00 -1.46 0.00 0.00 42.92 38.60 1h38 s ASP 552 CO 0.96 -0.66 0.65 1.05 0.52 0.00 0.00 175.17 177.69 1h38 h GLU 553 N 7.64 0.00 0.68 4.34 9.09 -1.89 -1.82 114.58 132.61 1h38 h GLU 553 Ca -0.21 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.18 1h38 h GLU 553 Cb 1.07 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.16 1h38 h GLU 553 CO 0.96 0.94 -0.45 0.28 0.05 0.00 0.00 179.01 180.78 1h38 h VAL 554 N -1.00 0.09 -0.55 -1.06 2.07 -1.92 0.34 116.25 114.23 1h38 h VAL 554 Ca -0.05 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1h38 h VAL 554 Cb 0.98 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1h38 h VAL 554 CO -0.03 0.00 0.33 1.23 0.02 0.00 0.00 177.57 179.12 1h38 h GLY 555 N -1.07 0.78 0.58 2.17 0.00 -1.70 -0.95 103.07 102.88 1h38 h GLY 555 Ca -0.09 -0.25 0.11 0.00 0.00 0.00 0.00 47.33 47.10 1h38 h GLY 555 CO 0.06 0.21 0.62 -1.33 0.00 0.00 0.00 176.54 176.10 1h38 h GLY 556 N 0.65 1.53 1.60 4.60 0.00 -1.08 -0.02 103.07 110.35 1h38 h GLY 556 Ca 0.22 -0.42 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 1h38 h GLY 556 CO -0.10 0.21 -0.42 -0.09 0.00 0.00 0.00 176.54 176.13 1h38 h ARG 557 N 1.00 0.44 0.00 4.80 2.43 0.48 0.32 114.38 123.85 1h38 h ARG 557 Ca 0.46 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1h38 h ARG 557 Cb 0.42 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1h38 h ARG 557 CO -0.22 0.79 -0.07 0.00 -1.51 0.00 0.00 179.97 178.96 1h38 h ALA 558 N 1.18 1.82 -0.62 2.80 0.00 0.30 -2.42 119.26 122.32 1h38 h ALA 558 Ca 0.03 -0.06 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 1h38 h ALA 558 Cb 0.89 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.51 1h38 h ALA 558 CO 0.08 0.08 0.23 1.33 0.00 0.00 0.00 179.25 180.97 1h38 n VAL 559 N -4.35 2.81 -2.52 0.00 0.24 -0.81 -3.91 118.33 109.79 1h38 n VAL 559 Ca -0.03 -2.20 -0.19 0.00 -2.04 0.00 0.00 64.34 59.89 1h38 n VAL 559 Cb 0.15 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 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 -0.90 -5.49 -0.01 -1.34 4.13 -0.91 -4.64 115.26 106.10 1h38 n ASN 560 Ca 0.42 -0.09 -0.17 0.00 1.68 0.00 0.00 54.58 56.42 1h38 n ASN 560 Cb 1.29 -4.48 -0.07 0.00 -1.54 0.00 0.00 39.78 34.99 1h38 n ASN 560 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1h38 h LEU 561 N -0.36 0.91 -9.91 3.41 5.85 -1.16 -3.25 115.31 110.80 1h38 h LEU 561 Ca -0.45 -0.61 -0.60 0.00 0.84 0.00 0.00 57.88 57.05 1h38 h LEU 561 Cb 1.33 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 1h38 h LEU 561 CO 0.52 1.41 -0.38 -0.76 -0.34 0.00 0.00 178.44 178.90 1h38 s LEU 562 N -8.34 4.31 0.10 2.25 1.43 -1.26 -3.69 118.68 113.48 1h38 s LEU 562 Ca -0.10 0.49 -0.31 0.00 -1.03 0.00 0.00 54.13 53.19 1h38 s LEU 562 Cb 0.09 -3.12 -0.08 0.00 0.03 0.00 0.00 46.19 43.10 1h38 s LEU 562 CO 0.90 0.11 1.49 -2.16 0.23 0.00 0.00 176.35 176.93 1h38 s PRO 563 N -2.48 4.26 0.11 1.29 0.04 -1.26 -4.82 135.00 132.14 1h38 s PRO 563 Ca 0.37 2.18 -0.02 0.00 0.04 0.00 0.00 61.00 63.57 1h38 s PRO 563 Cb -0.13 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 1h38 s PRO 563 CO 0.24 -0.56 0.05 0.45 0.04 0.00 0.00 177.00 177.22 1h38 s SER 564 N 1.53 0.34 0.08 6.66 0.15 -1.26 -5.02 113.70 116.18 1h38 s SER 564 Ca 0.68 -1.12 0.15 0.00 0.70 0.00 0.00 55.95 56.36 1h38 s SER 564 Cb -0.38 0.28 -0.13 0.00 -1.71 0.00 0.00 66.02 64.08 1h38 s SER 564 CO 0.30 -0.70 0.94 -0.08 1.20 0.00 0.00 173.24 174.90 1h38 h GLU 565 N 2.92 0.00 -6.48 5.44 4.81 -2.01 -3.46 114.58 115.80 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 -0.14 0.00 0.63 0.00 0.00 28.75 30.42 1h38 h GLU 565 CO 0.60 0.43 -0.72 0.95 -0.73 0.00 0.00 179.01 179.54 1h38 s THR 566 N -2.85 3.43 0.30 0.32 -4.23 -1.26 -4.60 115.64 106.75 1h38 s THR 566 Ca -0.02 -1.37 -0.29 0.00 -1.18 0.00 0.00 61.69 58.83 1h38 s THR 566 Cb 0.08 -2.65 -0.10 0.00 1.34 0.00 0.00 72.50 71.18 1h38 s THR 566 CO 0.80 0.02 1.17 -0.69 -0.54 0.00 0.00 174.62 175.38 1h38 s VAL 567 N -1.43 3.23 -0.08 2.29 1.01 -1.26 -5.01 120.40 119.15 1h38 s VAL 567 Ca 0.24 1.23 -0.10 0.00 0.00 0.00 0.00 61.98 63.34 1h38 s VAL 567 Cb -0.10 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1h38 s VAL 567 CO 0.15 0.29 0.25 -1.10 0.00 0.00 0.00 175.10 174.69 1h38 s GLN 568 N -1.60 3.71 -0.52 2.72 -1.52 -1.26 -4.96 119.66 116.22 1h38 s GLN 568 Ca 0.46 0.08 0.00 0.00 -1.95 0.00 0.00 55.36 53.95 1h38 s GLN 568 Cb -0.34 -3.23 0.14 0.00 -0.22 0.00 0.00 33.01 29.35 1h38 s GLN 568 CO 0.44 0.68 0.30 0.34 -0.25 0.00 0.00 175.29 176.81 1h38 s ASP 569 N -0.87 4.89 0.43 5.90 2.15 -1.26 -4.72 116.67 123.19 1h38 s ASP 569 Ca 0.18 -2.69 0.14 0.00 0.43 0.00 0.00 52.55 50.61 1h38 s ASP 569 Cb -0.14 -1.75 1.02 0.00 -0.30 0.00 0.00 42.92 41.75 1h38 s ASP 569 CO 0.07 -0.35 1.95 -0.29 -0.17 0.00 0.00 175.17 176.38 1h38 h ILE 570 N 5.68 0.86 -0.79 4.11 2.10 -1.97 -0.45 117.51 127.04 1h38 h ILE 570 Ca -0.06 -0.15 -0.00 0.00 1.08 0.00 0.00 64.86 65.73 1h38 h ILE 570 Cb 0.96 0.39 -0.04 0.00 -1.09 0.00 0.00 36.82 37.03 1h38 h ILE 570 CO 0.68 0.08 0.48 1.88 -1.08 0.00 0.00 178.15 180.19 1h38 h TYR 571 N 0.43 1.04 -0.24 2.19 0.05 -1.93 -0.69 116.97 117.82 1h38 h TYR 571 Ca 0.32 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.96 1h38 h TYR 571 Cb 0.67 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 1h38 h TYR 571 CO -0.00 0.69 -0.46 0.78 -1.05 0.00 0.00 178.16 178.12 1h38 h GLY 572 N 1.08 0.66 1.92 3.88 0.00 -1.45 -0.27 103.07 108.89 1h38 h GLY 572 Ca 0.28 -0.70 -0.16 0.00 0.00 0.00 0.00 47.33 46.76 1h38 h GLY 572 CO -0.05 0.63 -0.72 0.16 0.00 0.00 0.00 176.54 176.55 1h38 h ILE 573 N 0.48 1.49 -0.49 2.60 -0.00 -0.83 0.12 117.51 120.87 1h38 h ILE 573 Ca 0.03 -2.39 -0.09 0.00 -0.00 0.00 0.00 64.86 62.41 1h38 h ILE 573 Cb 0.99 2.29 -0.02 0.00 -0.00 0.00 0.00 36.82 40.08 1h38 h ILE 573 CO 0.09 0.69 -0.06 0.58 -0.00 0.00 0.00 178.15 179.45 1h38 h VAL 574 N 0.05 1.27 -0.42 0.16 2.07 -1.07 -1.78 116.25 116.53 1h38 h VAL 574 Ca -0.01 -1.16 0.07 0.00 0.82 0.00 0.00 66.70 66.41 1h38 h VAL 574 Cb 1.27 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 32.01 1h38 h VAL 574 CO 0.10 0.41 0.08 0.00 0.02 0.00 0.00 177.57 178.18 1h38 h ALA 575 N 0.91 0.45 -0.31 1.67 0.00 -0.44 -0.61 119.26 120.94 1h38 h ALA 575 Ca 0.13 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1h38 h ALA 575 Cb 0.59 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1h38 h ALA 575 CO 0.04 -0.32 0.15 0.87 0.00 0.00 0.00 179.25 179.99 1h38 h LYS 576 N 0.21 0.44 -0.83 0.00 6.56 -0.55 -1.95 116.57 120.45 1h38 h LYS 576 Ca 0.20 -0.06 0.09 0.00 -1.06 0.00 0.00 60.65 59.82 1h38 h LYS 576 Cb 0.25 -0.08 -0.07 0.00 -0.57 0.00 0.00 32.23 31.76 1h38 h LYS 576 CO -0.27 0.40 0.48 0.87 -2.06 0.00 0.00 179.45 178.88 1h38 h LYS 577 N 0.36 0.79 0.06 3.15 1.79 -0.93 -1.95 116.57 119.84 1h38 h LYS 577 Ca 0.11 -0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.55 1h38 h LYS 577 Cb 0.10 -0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 30.54 1h38 h LYS 577 CO -0.01 0.53 -0.24 0.28 -1.08 0.00 0.00 179.45 178.92 1h38 h VAL 578 N 0.82 0.45 -0.54 0.50 2.07 -0.44 -1.78 116.25 117.34 1h38 h VAL 578 Ca 0.39 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.07 1h38 h VAL 578 Cb 0.34 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1h38 h VAL 578 CO -0.24 0.00 0.38 0.78 0.02 0.00 0.00 177.57 178.52 1h38 h ASN 579 N -0.41 0.02 -0.53 0.57 2.35 -0.77 0.24 115.58 117.05 1h38 h ASN 579 Ca 0.05 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 1h38 h ASN 579 Cb 0.47 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 1h38 h ASN 579 CO -0.18 0.01 0.12 -0.33 -1.65 0.00 0.00 177.43 175.40 1h38 h GLU 580 N 0.02 0.85 -0.31 0.81 5.08 -0.60 -1.31 114.58 119.12 1h38 h GLU 580 Ca 0.26 -0.21 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 1h38 h GLU 580 Cb 1.00 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1h38 h GLU 580 CO -0.01 0.81 -0.40 0.82 -1.00 0.00 0.00 179.01 179.23 1h38 h ILE 581 N 0.75 1.29 -0.37 3.13 2.04 -0.31 -1.60 117.51 122.43 1h38 h ILE 581 Ca 0.17 -1.58 0.04 0.00 1.00 0.00 0.00 64.86 64.49 1h38 h ILE 581 Cb 0.35 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 1h38 h ILE 581 CO 0.00 0.51 0.14 -0.07 0.00 0.00 0.00 178.15 178.74 1h38 h LEU 582 N 0.61 0.17 -0.30 1.44 3.38 -0.76 0.18 115.31 120.03 1h38 h LEU 582 Ca 0.05 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1h38 h LEU 582 Cb 0.95 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1h38 h LEU 582 CO 0.09 0.14 0.17 1.56 0.09 0.00 0.00 178.44 180.48 1h38 h GLN 583 N 0.31 0.42 -0.65 1.13 4.20 -1.18 0.16 115.11 119.50 1h38 h GLN 583 Ca 0.17 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.87 1h38 h GLN 583 Cb 0.13 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 1h38 h GLN 583 CO -0.16 0.36 0.43 0.00 -0.67 0.00 0.00 178.83 178.79 1h38 h ALA 584 N 1.04 1.66 0.06 3.87 0.00 -0.65 -2.09 119.26 123.14 1h38 h ALA 584 Ca 0.11 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.73 1h38 h ALA 584 Cb 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1h38 h ALA 584 CO -0.02 0.26 -1.25 -0.44 0.00 0.00 0.00 179.25 177.80 1h38 h ASP 585 N 0.75 0.18 -0.43 0.00 5.19 -0.20 -2.27 116.42 119.64 1h38 h ASP 585 Ca 0.26 -0.22 -0.03 0.00 -0.62 0.00 0.00 57.03 56.42 1h38 h ASP 585 Cb 0.11 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.54 1h38 h ASP 585 CO -0.08 1.18 0.16 0.00 -3.12 0.00 0.00 179.24 177.38 1h38 h ALA 586 N 0.79 1.36 0.10 3.45 0.00 -0.03 -3.26 119.26 121.67 1h38 h ALA 586 Ca -0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1h38 h ALA 586 Cb 1.90 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1h38 h ALA 586 CO 0.15 0.47 -0.05 0.82 0.00 0.00 0.00 179.25 180.64 1h38 h ILE 587 N 0.71 0.00 0.00 0.00 1.08 -1.47 -3.48 117.51 114.35 1h38 h ILE 587 Ca 0.17 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1h38 h ILE 587 Cb 0.20 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.95 1h38 h ILE 587 CO -0.01 0.00 0.00 0.59 -0.69 0.00 0.00 178.15 178.04 1h38 n ASN 588 N -3.04 0.00 0.00 1.72 5.03 -0.86 -5.08 115.26 113.03 1h38 n ASN 588 Ca -0.02 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.43 1h38 n ASN 588 Cb 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.81 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 -1.40 3.78 7.41 0.00 -1.26 -4.44 105.19 114.28 1h38 n GLY 589 Ca 0.00 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.14 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 -3.09 3.29 0.40 2.61 -4.23 -1.26 -4.57 115.64 108.79 1h38 s THR 590 Ca 0.00 0.78 0.02 0.00 -1.18 0.00 0.00 61.69 61.31 1h38 s THR 590 Cb 0.00 -3.30 -0.01 0.00 1.34 0.00 0.00 72.50 70.52 1h38 s THR 590 CO 0.00 -0.20 0.60 1.51 -0.54 0.00 0.00 174.62 175.99 1h38 s ASP 591 N -1.90 5.98 1.13 3.99 3.84 -1.26 -1.54 116.67 126.91 1h38 s ASP 591 Ca 0.71 0.23 -0.12 0.00 -0.00 0.00 0.00 52.55 53.37 1h38 s ASP 591 Cb -0.22 -1.60 0.27 0.00 -1.38 0.00 0.00 42.92 39.98 1h38 s ASP 591 CO 0.27 -0.54 1.04 0.20 -0.00 0.00 0.00 175.17 176.15 1h38 s ASN 592 N -4.16 1.24 -0.12 2.11 0.01 -1.26 -4.00 114.94 108.75 1h38 s ASN 592 Ca 0.45 1.59 -0.09 0.00 -0.71 0.00 0.00 52.86 54.10 1h38 s ASN 592 Cb -0.10 -2.32 0.04 0.00 0.41 0.00 0.00 41.25 39.28 1h38 s ASN 592 CO 0.36 -4.05 0.31 -0.70 -1.51 0.00 0.00 177.10 171.51 1h38 s GLU 593 N -4.50 0.32 -0.52 -0.60 2.12 -0.61 -4.84 118.70 110.07 1h38 s GLU 593 Ca 0.68 0.52 -0.15 0.00 0.36 0.00 0.00 54.97 56.38 1h38 s GLU 593 Cb -0.24 0.06 0.13 0.00 0.26 0.00 0.00 34.13 34.33 1h38 s GLU 593 CO 0.64 -0.09 0.47 0.08 -0.54 0.00 0.00 175.26 175.81 1h38 s VAL 594 N 0.67 5.00 0.50 3.70 1.01 -1.26 0.22 120.40 130.23 1h38 s VAL 594 Ca -0.04 -1.56 -0.05 0.00 0.00 0.00 0.00 61.98 60.33 1h38 s VAL 594 Cb -0.05 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 1h38 s VAL 594 CO -0.04 -0.85 0.81 -0.69 0.00 0.00 0.00 175.10 174.33 1h38 s VAL 595 N 1.55 4.67 -0.05 2.92 1.01 -0.92 -4.90 120.40 124.68 1h38 s VAL 595 Ca 0.04 0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.05 1h38 s VAL 595 Cb -0.29 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1h38 s VAL 595 CO 0.02 -0.78 0.33 -0.89 0.00 0.00 0.00 175.10 173.78 1h38 s THR 596 N -2.79 5.18 -0.07 3.92 2.01 -1.26 -2.75 115.64 119.88 1h38 s THR 596 Ca 0.49 0.65 0.01 0.00 0.31 0.00 0.00 61.69 63.14 1h38 s THR 596 Cb -0.10 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.80 1h38 s THR 596 CO 0.45 0.56 -0.06 -0.69 -0.69 0.00 0.00 174.62 174.19 1h38 s VAL 597 N -0.86 0.72 -0.26 3.82 1.01 -0.13 -4.99 120.40 119.71 1h38 s VAL 597 Ca 0.21 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 1h38 s VAL 597 Cb -0.15 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.50 1h38 s VAL 597 CO 0.10 0.28 -0.01 -0.89 0.00 0.00 0.00 175.10 174.58 1h38 s THR 598 N 1.21 3.36 0.36 3.92 2.01 -1.26 -0.08 115.64 125.16 1h38 s THR 598 Ca -0.06 -0.78 -0.27 0.00 0.31 0.00 0.00 61.69 60.90 1h38 s THR 598 Cb -0.14 -2.67 -0.12 0.00 0.01 0.00 0.00 72.50 69.58 1h38 s THR 598 CO -0.02 0.22 1.14 -0.67 -0.69 0.00 0.00 174.62 174.60 1h38 n ASP 599 N 4.77 1.95 -0.00 3.53 2.03 -0.68 -4.82 116.55 123.33 1h38 n ASP 599 Ca -0.16 1.14 -0.13 0.00 0.52 0.00 0.00 54.79 56.16 1h38 n ASP 599 Cb 0.48 -1.40 -0.01 0.00 -0.72 0.00 0.00 41.12 39.47 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 2.07 0.64 0.03 -0.67 4.39 -1.96 0.13 114.58 119.20 1h38 h GLU 600 Ca -0.44 -0.48 -0.00 0.00 0.34 0.00 0.00 59.36 58.78 1h38 h GLU 600 Cb 1.31 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 1h38 h GLU 600 CO 0.60 1.10 -0.01 -0.91 -1.16 0.00 0.00 179.01 178.63 1h38 h ASN 601 N 0.46 -0.03 0.78 1.42 2.35 -2.00 -3.39 115.58 115.16 1h38 h ASN 601 Ca -0.03 -0.56 -0.16 0.00 -0.55 0.00 0.00 56.30 55.00 1h38 h ASN 601 Cb 1.28 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.63 1h38 h ASN 601 CO 0.13 0.73 -1.32 0.74 -1.65 0.00 0.00 177.43 176.06 1h38 h THR 602 N -0.97 0.55 -0.24 2.81 2.02 -1.97 -3.47 112.91 111.63 1h38 h THR 602 Ca -0.00 -2.04 -0.10 0.00 0.77 0.00 0.00 66.41 65.03 1h38 h THR 602 Cb 0.59 2.08 -0.04 0.00 -1.74 0.00 0.00 68.15 69.04 1h38 h THR 602 CO 0.01 0.31 -0.09 0.61 0.37 0.00 0.00 175.52 176.72 1h38 n GLY 603 N 1.38 0.74 3.69 2.16 0.00 0.45 -4.95 105.19 108.67 1h38 n GLY 603 Ca -0.08 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.97 4.27 -0.09 1.61 2.12 -1.26 -4.63 118.70 118.75 1h38 s GLU 604 Ca 0.00 2.08 -0.30 0.00 0.36 0.00 0.00 54.97 57.11 1h38 s GLU 604 Cb 0.00 -3.51 -0.02 0.00 0.26 0.00 0.00 34.13 30.87 1h38 s GLU 604 CO 0.00 -0.59 1.08 0.42 -0.54 0.00 0.00 175.26 175.63 1h38 s ILE 605 N 2.17 4.59 0.04 -3.70 -1.09 -1.26 -1.68 121.20 120.27 1h38 s ILE 605 Ca 0.66 1.88 0.02 0.00 -2.23 0.00 0.00 60.65 60.98 1h38 s ILE 605 Cb -0.35 -4.21 -0.02 0.00 -1.58 0.00 0.00 42.46 36.30 1h38 s ILE 605 CO 0.29 -0.00 -0.08 -0.44 -1.23 0.00 0.00 174.94 173.47 1h38 s SER 606 N 1.24 0.85 -0.27 3.58 0.01 0.88 -5.00 113.70 114.99 1h38 s SER 606 Ca 0.51 -0.55 -0.10 0.00 1.31 0.00 0.00 55.95 57.12 1h38 s SER 606 Cb -0.20 0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 1h38 s SER 606 CO 0.19 -0.21 0.15 -1.61 0.41 0.00 0.00 173.24 172.18 1h38 s GLU 607 N -1.58 3.85 -0.06 12.44 2.02 -1.26 -0.96 118.70 133.16 1h38 s GLU 607 Ca -0.10 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.52 1h38 s GLU 607 Cb -0.10 -3.55 0.02 0.00 0.10 0.00 0.00 34.13 30.60 1h38 s GLU 607 CO 0.00 -0.18 -0.04 0.15 0.02 0.00 0.00 175.26 175.21 1h38 s LYS 608 N 1.71 0.85 -0.05 1.61 1.02 -1.11 -5.01 119.74 118.75 1h38 s LYS 608 Ca 0.07 -0.07 -0.20 0.00 0.02 0.00 0.00 55.97 55.79 1h38 s LYS 608 Cb -0.16 -0.94 -0.05 0.00 -0.52 0.00 0.00 37.83 36.16 1h38 s LYS 608 CO 0.09 -0.15 0.56 0.54 -0.92 0.00 0.00 175.35 175.47 1h38 s VAL 609 N 1.24 5.03 -0.38 3.17 0.11 -1.26 -2.17 120.40 126.14 1h38 s VAL 609 Ca -0.06 1.15 -0.22 0.00 -2.93 0.00 0.00 61.98 59.92 1h38 s VAL 609 Cb -0.14 -3.90 0.01 0.00 -1.53 0.00 0.00 36.38 30.83 1h38 s VAL 609 CO -0.02 0.37 0.72 -0.75 -3.33 0.00 0.00 175.10 172.10 1h38 s LYS 610 N 0.18 3.65 0.08 1.54 2.20 0.59 -4.87 119.74 123.11 1h38 s LYS 610 Ca 0.30 0.13 -0.31 0.00 -0.36 0.00 0.00 55.97 55.73 1h38 s LYS 610 Cb -0.17 -3.83 -0.08 0.00 -1.51 0.00 0.00 37.83 32.24 1h38 s LYS 610 CO 0.15 -0.85 1.52 -0.51 -0.36 0.00 0.00 175.35 175.29 1h38 s LEU 611 N 2.97 4.36 0.93 5.43 1.43 -1.26 -1.57 118.68 130.97 1h38 s LEU 611 Ca 0.28 2.39 -0.15 0.00 -1.03 0.00 0.00 54.13 55.62 1h38 s LEU 611 Cb -0.14 -3.57 0.17 0.00 0.03 0.00 0.00 46.19 42.68 1h38 s LEU 611 CO 0.17 -0.78 1.26 -0.83 0.23 0.00 0.00 176.35 176.40 1h38 s GLY 612 N 1.75 1.70 0.26 -3.19 0.00 -1.26 -4.82 107.32 101.78 1h38 s GLY 612 Ca 0.69 -1.00 -0.03 0.00 0.00 0.00 0.00 44.72 44.38 1h38 s GLY 612 CO 0.30 -0.31 1.82 -0.91 0.00 0.00 0.00 173.10 174.00 1h38 h THR 613 N -1.54 1.23 -0.43 0.90 1.35 -1.79 -0.56 112.91 112.08 1h38 h THR 613 Ca -0.45 -0.80 0.06 0.00 -0.55 0.00 0.00 66.41 64.67 1h38 h THR 613 Cb 1.27 0.55 -0.05 0.00 -1.73 0.00 0.00 68.15 68.19 1h38 h THR 613 CO 0.47 0.31 0.12 0.50 -0.25 0.00 0.00 175.52 176.66 1h38 h LYS 614 N 0.91 0.26 -0.19 4.72 3.64 -1.40 0.50 116.57 125.01 1h38 h LYS 614 Ca 0.20 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.44 1h38 h LYS 614 Cb 0.26 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1h38 h LYS 614 CO -0.01 0.17 -0.40 0.00 -2.27 0.00 0.00 179.45 176.94 1h38 h ALA 615 N 1.31 0.30 -0.77 5.00 0.00 -1.67 -2.36 119.26 121.07 1h38 h ALA 615 Ca 0.21 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1h38 h ALA 615 Cb 0.23 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1h38 h ALA 615 CO -0.24 0.40 0.42 -0.07 0.00 0.00 0.00 179.25 179.76 1h38 h LEU 616 N 0.27 0.97 -0.25 0.00 3.38 -0.80 -1.93 115.31 116.95 1h38 h LEU 616 Ca 0.00 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.90 1h38 h LEU 616 Cb 1.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1h38 h LEU 616 CO 0.09 0.79 0.06 0.00 0.09 0.00 0.00 178.44 179.47 1h38 h ALA 617 N 1.22 0.26 -0.97 1.53 0.00 0.03 -1.92 119.26 119.41 1h38 h ALA 617 Ca 0.27 0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.37 1h38 h ALA 617 Cb 0.04 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 1h38 h ALA 617 CO -0.04 -0.35 0.61 0.78 0.00 0.00 0.00 179.25 180.25 1h38 h GLY 618 N 0.17 1.53 0.68 0.00 0.00 -0.90 0.17 103.07 104.72 1h38 h GLY 618 Ca 0.11 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1h38 h GLY 618 CO -0.13 0.07 -0.00 1.46 0.00 0.00 0.00 176.54 177.93 1h38 h GLN 619 N 0.82 0.01 -0.39 4.80 4.20 -0.60 0.15 115.11 124.10 1h38 h GLN 619 Ca 0.51 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.20 1h38 h GLN 619 Cb 0.71 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 1h38 h GLN 619 CO -0.28 0.33 0.19 -1.49 -0.67 0.00 0.00 178.83 176.92 1h38 h TRP 620 N -0.31 0.56 -0.45 2.96 4.06 -0.83 0.94 115.95 122.87 1h38 h TRP 620 Ca 0.00 -0.02 0.07 0.00 2.06 0.00 0.00 58.89 61.00 1h38 h TRP 620 Cb 0.33 -0.17 -0.06 0.00 -1.00 0.00 0.00 29.16 28.26 1h38 h TRP 620 CO 0.04 0.46 0.09 -0.07 -3.56 0.00 0.00 178.44 175.40 1h38 h LEU 621 N 0.49 0.01 -0.88 -4.49 3.38 -0.69 0.90 115.31 114.03 1h38 h LEU 621 Ca 0.13 0.08 0.18 0.00 0.09 0.00 0.00 57.88 58.36 1h38 h LEU 621 Cb 0.11 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 40.86 1h38 h LEU 621 CO -0.02 0.04 0.44 0.00 0.09 0.00 0.00 178.44 178.99 1h38 h ALA 622 N 1.34 1.38 0.01 1.53 0.00 0.10 -2.06 119.26 121.56 1h38 h ALA 622 Ca 0.22 0.11 -0.19 0.00 0.00 0.00 0.00 54.91 55.05 1h38 h ALA 622 Cb 0.28 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.12 1h38 h ALA 622 CO -0.29 -0.17 -0.74 -0.92 0.00 0.00 0.00 179.25 177.13 1h38 h TYR 623 N 0.56 0.73 -0.19 0.00 3.20 0.26 -3.50 116.97 118.02 1h38 h TYR 623 Ca 0.51 -0.40 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1h38 h TYR 623 Cb 0.82 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.01 1h38 h TYR 623 CO -0.10 1.23 0.00 0.41 -1.64 0.00 0.00 178.16 178.07 1h38 n GLY 624 N 1.11 0.05 3.73 1.82 0.00 0.30 -5.08 105.19 107.11 1h38 n GLY 624 Ca -0.11 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 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 5.19 0.35 1.61 1.01 -1.26 -5.03 120.40 122.27 1h38 s VAL 625 Ca 0.00 0.91 0.04 0.00 0.00 0.00 0.00 61.98 62.93 1h38 s VAL 625 Cb 0.00 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 1h38 s VAL 625 CO 0.00 0.35 0.39 0.42 0.00 0.00 0.00 175.10 176.25 1h38 s THR 626 N 0.49 0.00 0.47 3.92 -4.23 -1.26 -4.96 115.64 110.07 1h38 s THR 626 Ca 0.25 -1.81 0.30 0.00 -1.18 0.00 0.00 61.69 59.24 1h38 s THR 626 Cb -0.15 -2.59 0.49 0.00 1.34 0.00 0.00 72.50 71.59 1h38 s THR 626 CO 0.10 0.00 1.74 0.08 -0.54 0.00 0.00 174.62 176.00 1h38 h ARG 627 N 2.08 0.16 -0.26 3.99 0.11 -1.90 0.92 114.38 119.48 1h38 h ARG 627 Ca -0.26 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 59.79 1h38 h ARG 627 Cb 1.23 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 1h38 h ARG 627 CO 0.37 0.10 0.05 0.77 0.10 0.00 0.00 179.97 181.35 1h38 h SER 628 N 0.16 0.34 1.15 0.08 0.02 -1.96 0.30 113.55 113.64 1h38 h SER 628 Ca 0.65 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.56 1h38 h SER 628 Cb 2.15 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.61 1h38 h SER 628 CO -0.19 0.36 0.00 0.58 -1.14 0.00 0.00 176.83 176.44 1h38 h VAL 629 N 0.37 0.00 0.00 2.27 2.07 -1.21 -3.33 116.25 116.42 1h38 h VAL 629 Ca 0.09 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1h38 h VAL 629 Cb 0.18 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1h38 h VAL 629 CO -0.00 0.00 -1.12 0.35 0.02 0.00 0.00 177.57 176.82 1h38 n THR 630 N -2.81 0.00 0.00 2.57 -2.24 -0.56 -4.80 114.28 106.44 1h38 n THR 630 Ca 0.02 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1h38 n THR 630 Cb 0.33 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 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 -1.60 0.00 -0.28 -0.78 4.81 0.94 -1.98 118.16 119.28 1h38 n LYS 631 Ca -0.01 0.79 0.03 0.00 -0.87 0.00 0.00 58.31 58.25 1h38 n LYS 631 Cb 0.09 -1.40 0.11 0.00 0.02 0.00 0.00 35.03 33.85 1h38 n LYS 631 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1h38 h ARG 632 N 0.00 0.01 -0.60 1.64 2.43 -1.87 -1.30 114.38 114.69 1h38 h ARG 632 Ca 0.00 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1h38 h ARG 632 Cb 0.00 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 1h38 h ARG 632 CO 0.00 0.01 0.31 0.77 -1.51 0.00 0.00 179.97 179.55 1h38 h SER 633 N 0.01 0.44 0.79 -3.80 0.02 -1.80 -1.25 113.55 107.96 1h38 h SER 633 Ca 0.39 0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 61.23 1h38 h SER 633 Cb 0.61 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1h38 h SER 633 CO -0.80 0.29 -0.69 1.62 -1.14 0.00 0.00 176.83 176.11 1h38 h VAL 634 N 0.58 1.43 0.00 2.27 3.04 -0.65 -2.72 116.25 120.20 1h38 h VAL 634 Ca 0.27 -2.42 0.00 0.00 -1.01 0.00 0.00 66.70 63.54 1h38 h VAL 634 Cb 0.19 2.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.80 1h38 h VAL 634 CO -0.19 0.68 -0.01 1.15 -1.01 0.00 0.00 177.57 178.20 1h38 n MET 635 N -3.62 0.01 -0.13 4.17 -0.00 -0.59 -2.61 117.12 114.35 1h38 n MET 635 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 57.70 57.78 1h38 n MET 635 Cb 0.70 -1.51 0.14 0.00 -0.00 0.00 0.00 33.22 32.56 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 -1.52 0.51 -0.27 3.17 -2.24 -0.53 -4.47 114.28 108.94 1h38 n THR 636 Ca 0.07 -0.76 -0.05 0.00 -2.27 0.00 0.00 64.05 61.04 1h38 n THR 636 Cb 0.34 0.91 0.06 0.00 -2.10 0.00 0.00 70.33 69.54 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 2.98 0.88 0.00 3.22 5.85 -1.23 -1.28 115.31 125.73 1h38 h LEU 637 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1h38 h LEU 637 Cb 0.74 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1h38 h LEU 637 CO 0.00 0.69 0.00 0.00 -0.34 0.00 0.00 178.44 178.79 1h38 n ALA 638 N -2.33 2.28 0.28 1.25 0.00 -1.26 -2.05 120.51 118.67 1h38 n ALA 638 Ca 0.07 -0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.47 1h38 n ALA 638 Cb 0.06 -1.35 0.16 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.05 0.36 0.00 0.00 4.01 -0.50 -4.11 117.16 115.88 1h38 n TYR 639 Ca 0.15 -0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1h38 n TYR 639 Cb 0.09 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 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 1.13 0.41 3.78 2.72 0.00 -0.87 -4.84 105.19 107.51 1h38 n GLY 640 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.32 6.94 0.00 1.61 1.04 -1.11 -5.02 113.70 114.84 1h38 s SER 641 Ca 0.00 2.04 0.00 0.00 0.48 0.00 0.00 55.95 58.47 1h38 s SER 641 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1h38 s SER 641 CO 0.00 -0.36 0.00 0.29 0.98 0.00 0.00 173.24 174.15 1h38 n LYS 642 N 0.24 0.98 -0.08 4.02 5.02 -1.26 -4.50 118.16 122.57 1h38 n LYS 642 Ca 0.03 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.19 1h38 n LYS 642 Cb 0.49 0.00 -0.09 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 -0.42 -0.60 1.97 4.81 -1.95 -0.97 114.58 117.42 1h38 h GLU 643 Ca 0.00 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1h38 h GLU 643 Cb 0.00 0.09 -0.11 0.00 0.63 0.00 0.00 28.75 29.36 1h38 h GLU 643 CO 0.00 -0.28 -0.41 0.35 -0.73 0.00 0.00 179.01 177.94 1h38 h PHE 644 N -0.43 -1.19 -0.10 0.92 3.57 -1.97 0.62 116.94 118.36 1h38 h PHE 644 Ca 0.05 0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.66 1h38 h PHE 644 Cb 0.58 0.60 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 1h38 h PHE 644 CO -0.67 -0.41 0.11 0.78 -2.23 0.00 0.00 178.31 175.89 1h38 h GLY 645 N -0.20 0.00 1.96 2.40 0.00 -1.70 -1.83 103.07 103.71 1h38 h GLY 645 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.42 1h38 h GLY 645 CO -0.70 0.00 -0.49 0.74 0.00 0.00 0.00 176.54 176.09 1h38 h PHE 646 N 0.00 0.05 -0.07 5.60 0.04 0.41 -3.22 116.94 119.75 1h38 h PHE 646 Ca 0.05 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.83 1h38 h PHE 646 Cb 0.27 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 1h38 h PHE 646 CO 0.00 0.52 -0.05 0.00 -0.60 0.00 0.00 178.31 178.18 1h38 h ARG 647 N 0.03 -0.06 -0.12 1.51 3.08 -1.20 0.59 114.38 118.21 1h38 h ARG 647 Ca -0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 1h38 h ARG 647 Cb 0.88 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.89 1h38 h ARG 647 CO 0.07 -0.04 -0.15 0.37 -1.07 0.00 0.00 179.97 179.15 1h38 h GLN 648 N -0.06 -0.18 -0.05 0.04 5.75 -1.70 0.12 115.11 119.03 1h38 h GLN 648 Ca 0.05 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 1h38 h GLN 648 Cb 0.13 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 1h38 h GLN 648 CO -0.11 -0.12 -0.10 1.96 -2.65 0.00 0.00 178.83 177.81 1h38 h GLN 649 N -0.19 -0.14 -0.32 1.69 4.20 -1.43 -1.28 115.11 117.64 1h38 h GLN 649 Ca 0.09 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1h38 h GLN 649 Cb 0.32 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1h38 h GLN 649 CO -0.23 -0.09 0.12 0.28 -0.67 0.00 0.00 178.83 178.24 1h38 h VAL 650 N -0.14 1.19 -0.99 -0.54 2.07 -0.64 0.55 116.25 117.74 1h38 h VAL 650 Ca 0.06 -0.60 0.15 0.00 0.82 0.00 0.00 66.70 67.13 1h38 h VAL 650 Cb 0.22 0.98 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 1h38 h VAL 650 CO -0.14 0.21 0.61 0.25 0.02 0.00 0.00 177.57 178.52 1h38 h LEU 651 N 0.37 0.85 -1.19 2.57 7.12 -0.33 -1.20 115.31 123.50 1h38 h LEU 651 Ca 0.11 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.19 1h38 h LEU 651 Cb 0.21 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.25 1h38 h LEU 651 CO -0.01 0.39 -0.19 -1.84 -0.13 0.00 0.00 178.44 176.66 1h38 n GLU 652 N -4.69 1.54 -0.02 1.25 0.28 -0.52 0.22 120.64 118.70 1h38 n GLU 652 Ca 0.21 -1.08 0.07 0.00 -0.16 0.00 0.00 57.16 56.20 1h38 n GLU 652 Cb 0.45 -1.29 -0.15 0.00 1.43 0.00 0.00 31.44 31.89 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 0.30 0.64 0.00 -1.84 8.00 0.19 -4.54 116.55 119.31 1h38 n ASP 653 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1h38 n ASP 653 Cb 0.36 1.74 0.00 0.00 -0.02 0.00 0.00 41.12 43.21 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 -2.23 0.00 -0.17 -3.53 -2.24 -0.51 -4.78 114.28 100.82 1h38 n THR 654 Ca -0.07 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.66 1h38 n THR 654 Cb 0.58 -0.53 0.04 0.00 -2.10 0.00 0.00 70.33 68.32 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 1.02 0.05 2.28 2.04 -1.49 -0.59 117.51 120.81 1h38 h ILE 655 Ca 0.00 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1h38 h ILE 655 Cb 0.05 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1h38 h ILE 655 CO 0.00 0.10 -0.02 -0.61 0.00 0.00 0.00 178.15 177.62 1h38 h GLN 656 N 0.57 -0.06 -1.14 2.37 5.75 -0.44 -2.80 115.11 119.36 1h38 h GLN 656 Ca 0.21 0.00 0.32 0.00 -0.15 0.00 0.00 58.65 59.04 1h38 h GLN 656 Cb 0.07 0.01 -0.07 0.00 1.07 0.00 0.00 27.48 28.56 1h38 h GLN 656 CO -0.12 -0.04 0.78 -1.00 -2.65 0.00 0.00 178.83 175.80 1h38 h PRO 657 N -0.07 0.15 0.49 -2.39 0.13 -1.79 -1.01 132.00 127.50 1h38 h PRO 657 Ca -0.01 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1h38 h PRO 657 Cb 0.05 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.13 1h38 h PRO 657 CO 0.01 0.10 -0.49 0.00 -0.23 0.00 0.00 178.00 177.39 1h38 h ALA 658 N 1.50 -1.15 0.04 -0.56 0.00 -0.94 0.14 119.26 118.29 1h38 h ALA 658 Ca 0.59 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.33 1h38 h ALA 658 Cb 2.00 0.72 -0.03 0.00 0.00 0.00 0.00 17.79 20.48 1h38 h ALA 658 CO -0.14 -1.17 -0.17 0.82 0.00 0.00 0.00 179.25 178.58 1h38 h ILE 659 N -0.98 0.59 -0.02 0.00 2.04 -0.95 -1.41 117.51 116.78 1h38 h ILE 659 Ca -0.06 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1h38 h ILE 659 Cb 0.85 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1h38 h ILE 659 CO -0.06 0.00 0.09 0.44 0.00 0.00 0.00 178.15 178.62 1h38 h ASP 660 N -0.30 0.00 -0.15 1.72 3.32 -1.22 -0.42 116.42 119.37 1h38 h ASP 660 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1h38 h ASP 660 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1h38 h ASP 660 CO -0.14 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.18 1h38 n SER 661 N -3.21 2.87 0.00 6.45 7.64 0.48 -4.95 113.62 122.91 1h38 n SER 661 Ca -0.02 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 57.94 1h38 n SER 661 Cb 0.16 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 1.36 3.38 0.00 0.23 0.00 -0.17 -5.05 105.19 104.94 1h38 n GLY 662 Ca 0.16 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 1.87 -0.49 1.61 4.81 -0.64 -4.38 118.16 120.95 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 0.00 0.62 0.40 3.14 0.00 -1.24 -3.50 105.19 104.61 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 0.33 -1.50 0.99 3.38 -1.90 0.33 115.31 116.94 1h38 h LEU 665 Ca 0.00 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1h38 h LEU 665 Cb 0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1h38 h LEU 665 CO 0.00 0.15 -0.25 0.00 0.09 0.00 0.00 178.44 178.43 1h38 h MET 666 N 0.34 0.00 -4.18 1.13 -0.00 -1.92 -3.36 114.93 106.93 1h38 h MET 666 Ca 0.42 0.00 -0.70 0.00 -0.00 0.00 0.00 59.70 59.42 1h38 h MET 666 Cb 1.12 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.69 1h38 h MET 666 CO -0.13 0.25 2.94 1.19 -0.00 0.00 0.00 176.91 181.16 1h38 n PHE 667 N -3.86 3.32 0.30 -0.10 3.72 0.12 -4.76 117.46 116.19 1h38 n PHE 667 Ca -0.02 -2.77 -0.17 0.00 -0.05 0.00 0.00 57.45 54.45 1h38 n PHE 667 Cb 0.34 -2.43 -0.08 0.00 -0.94 0.00 0.00 39.48 36.37 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 4.17 0.28 -3.02 4.37 2.02 -1.80 -3.32 112.91 115.62 1h38 h THR 668 Ca 0.54 0.00 -0.72 0.00 0.77 0.00 0.00 66.41 66.99 1h38 h THR 668 Cb 0.66 0.28 -0.34 0.00 -1.74 0.00 0.00 68.15 67.01 1h38 h THR 668 CO 1.88 0.00 0.12 0.00 0.37 0.00 0.00 175.52 177.89 1h38 n GLN 669 N -5.48 3.24 -0.23 6.66 3.00 -1.26 -4.97 117.38 118.33 1h38 n GLN 669 Ca -0.12 -4.54 -0.01 0.00 -0.01 0.00 0.00 57.00 52.33 1h38 n GLN 669 Cb 0.38 -2.43 0.03 0.00 0.00 0.00 0.00 30.24 28.22 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 1.80 -0.14 -0.29 -1.09 -0.02 -1.25 0.64 135.00 134.64 1h38 n PRO 670 Ca 0.25 0.94 -0.05 0.00 -2.02 0.00 0.00 63.50 62.61 1h38 n PRO 670 Cb 0.37 -1.39 0.07 0.00 -0.02 0.00 0.00 33.50 32.52 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 1.05 -0.32 2.55 4.21 -1.95 0.29 115.58 121.42 1h38 h ASN 671 Ca 0.21 -0.13 -0.06 0.00 1.21 0.00 0.00 56.30 57.53 1h38 h ASN 671 Cb 0.37 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.28 1h38 h ASN 671 CO -0.61 0.89 -0.01 1.56 -1.29 0.00 0.00 177.43 177.97 1h38 h GLN 672 N 1.14 0.67 -0.12 0.81 4.20 -0.23 -0.37 115.11 121.21 1h38 h GLN 672 Ca 0.28 -0.17 -0.21 0.00 0.06 0.00 0.00 58.65 58.61 1h38 h GLN 672 Cb 0.11 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 27.82 1h38 h GLN 672 CO -0.04 0.70 -0.77 0.00 -0.67 0.00 0.00 178.83 178.05 1h38 h ALA 673 N 1.36 0.40 -0.12 3.87 0.00 -0.32 -2.44 119.26 122.01 1h38 h ALA 673 Ca 0.13 -0.61 -0.17 0.00 0.00 0.00 0.00 54.91 54.26 1h38 h ALA 673 Cb 0.41 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1h38 h ALA 673 CO 0.02 0.71 -0.65 0.00 0.00 0.00 0.00 179.25 179.33 1h38 h ALA 674 N 0.69 0.64 -0.53 0.00 0.00 -0.17 -2.21 119.26 117.68 1h38 h ALA 674 Ca -0.05 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.21 1h38 h ALA 674 Cb 1.38 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1h38 h ALA 674 CO 0.15 0.72 -0.03 0.78 0.00 0.00 0.00 179.25 180.87 1h38 h GLY 675 N 1.16 0.99 0.83 0.00 0.00 -1.07 -0.93 103.07 104.05 1h38 h GLY 675 Ca -0.01 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 1h38 h GLY 675 CO 0.12 0.66 -0.05 -1.82 0.00 0.00 0.00 176.54 175.45 1h38 h TYR 676 N 0.84 -0.14 -0.79 5.60 3.20 -1.36 -1.99 116.97 122.34 1h38 h TYR 676 Ca 0.15 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.08 1h38 h TYR 676 Cb 0.54 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.80 1h38 h TYR 676 CO 0.03 0.06 0.47 1.98 -1.64 0.00 0.00 178.16 179.07 1h38 h MET 677 N -0.32 0.83 -0.75 1.82 4.05 -1.20 -0.34 114.93 119.01 1h38 h MET 677 Ca -0.02 -0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.37 1h38 h MET 677 Cb 0.26 -0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 30.83 1h38 h MET 677 CO 0.02 0.55 0.49 0.00 0.23 0.00 0.00 176.91 178.20 1h38 h ALA 678 N 1.39 0.96 -0.92 0.39 0.00 -1.03 0.63 119.26 120.70 1h38 h ALA 678 Ca 0.35 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1h38 h ALA 678 Cb 0.21 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1h38 h ALA 678 CO -0.19 0.34 0.61 -0.22 0.00 0.00 0.00 179.25 179.79 1h38 h LYS 679 N 0.99 1.14 -0.09 0.00 1.63 -0.34 0.18 116.57 120.08 1h38 h LYS 679 Ca 0.28 -0.07 -0.14 0.00 -0.85 0.00 0.00 60.65 59.88 1h38 h LYS 679 Cb -0.07 -0.26 0.01 0.00 -0.60 0.00 0.00 32.23 31.31 1h38 h LYS 679 CO -0.08 0.75 -0.48 -0.07 -3.45 0.00 0.00 179.45 176.13 1h38 h LEU 680 N 1.17 0.58 -1.27 5.20 4.07 0.20 -1.81 115.31 123.45 1h38 h LEU 680 Ca 0.36 -0.65 -0.07 0.00 0.08 0.00 0.00 57.88 57.60 1h38 h LEU 680 Cb -0.01 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 1h38 h LEU 680 CO -0.10 1.14 -0.26 0.40 -1.08 0.00 0.00 178.44 178.53 1h38 h ILE 681 N 0.06 1.23 -0.18 1.22 2.04 0.72 -1.31 117.51 121.29 1h38 h ILE 681 Ca -0.03 -1.08 -0.12 0.00 1.00 0.00 0.00 64.86 64.63 1h38 h ILE 681 Cb 1.13 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1h38 h ILE 681 CO 0.10 0.32 -0.37 -0.25 0.00 0.00 0.00 178.15 177.95 1h38 h TRP 682 N 0.15 0.72 -0.86 1.37 2.91 -0.57 -1.53 115.95 118.14 1h38 h TRP 682 Ca 0.02 -0.26 0.06 0.00 1.13 0.00 0.00 58.89 59.84 1h38 h TRP 682 Cb 0.55 -0.13 -0.05 0.00 -0.51 0.00 0.00 29.16 29.01 1h38 h TRP 682 CO 0.01 1.01 0.56 0.93 -1.03 0.00 0.00 178.44 179.91 1h38 h GLU 683 N 0.24 0.96 -0.06 2.65 5.08 -1.14 -1.75 114.58 120.55 1h38 h GLU 683 Ca 0.01 -0.06 -0.23 0.00 -1.00 0.00 0.00 59.36 58.08 1h38 h GLU 683 Cb 0.97 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 30.01 1h38 h GLU 683 CO 0.08 0.63 -0.88 0.77 -1.00 0.00 0.00 179.01 178.61 1h38 h SER 684 N 0.98 0.76 0.12 1.42 0.02 -1.11 -3.28 113.55 112.46 1h38 h SER 684 Ca 0.37 -0.55 -0.27 0.00 -0.84 0.00 0.00 61.79 60.49 1h38 h SER 684 Cb 0.18 -0.23 0.02 0.00 0.14 0.00 0.00 62.40 62.51 1h38 h SER 684 CO -0.13 1.34 -1.11 -0.37 -1.14 0.00 0.00 176.83 175.42 1h38 h VAL 685 N 0.38 1.30 0.00 2.27 -1.51 -1.13 -3.05 116.25 114.51 1h38 h VAL 685 Ca -0.08 -2.38 0.00 0.00 -1.23 0.00 0.00 66.70 63.01 1h38 h VAL 685 Cb 1.51 2.52 0.00 0.00 -2.13 0.00 0.00 31.29 33.18 1h38 h VAL 685 CO 0.17 0.73 0.00 -1.54 -1.23 0.00 0.00 177.57 175.69 1h38 n SER 686 N -3.80 0.00 -0.11 4.19 3.41 -0.67 -1.20 113.62 115.43 1h38 n SER 686 Ca -0.11 0.26 0.01 0.00 -0.26 0.00 0.00 58.87 58.78 1h38 n SER 686 Cb 0.92 -0.35 0.01 0.00 -0.26 0.00 0.00 64.21 64.53 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 -1.35 0.04 -0.11 -3.33 0.24 -1.21 -4.15 118.33 108.48 1h38 n VAL 687 Ca 0.03 -0.52 -0.14 0.00 -2.04 0.00 0.00 64.34 61.68 1h38 n VAL 687 Cb 0.08 1.03 -0.11 0.00 -1.47 0.00 0.00 33.84 33.37 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 0.14 1.27 -3.09 3.34 -1.04 -0.34 -4.65 114.28 109.90 1h38 n THR 688 Ca 0.02 -0.56 -0.23 0.00 -2.04 0.00 0.00 64.05 61.23 1h38 n THR 688 Cb 0.08 -1.08 -0.04 0.00 -1.82 0.00 0.00 70.33 67.46 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 -3.02 1.52 -0.27 12.58 0.24 -0.40 -2.88 118.33 126.10 1h38 n VAL 689 Ca -0.37 -5.07 0.02 0.00 -2.04 0.00 0.00 64.34 56.88 1h38 n VAL 689 Cb 0.97 -1.03 0.15 0.00 -1.47 0.00 0.00 33.84 32.45 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 2.15 0.89 0.02 3.34 2.07 -1.77 -2.21 116.25 120.75 1h38 h VAL 690 Ca 0.12 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1h38 h VAL 690 Cb 0.72 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1h38 h VAL 690 CO 0.67 0.13 -0.06 0.00 0.02 0.00 0.00 177.57 178.33 1h38 h ALA 691 N 1.43 -0.08 -0.98 1.67 0.00 -1.91 -1.52 119.26 117.87 1h38 h ALA 691 Ca 0.37 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.43 1h38 h ALA 691 Cb 0.35 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 1h38 h ALA 691 CO -0.25 -0.56 0.62 0.00 0.00 0.00 0.00 179.25 179.06 1h38 h ALA 692 N 0.86 1.66 -0.19 0.00 0.00 -1.67 -0.24 119.26 119.68 1h38 h ALA 692 Ca 0.02 0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 1h38 h ALA 692 Cb 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1h38 h ALA 692 CO -0.05 0.04 -0.65 0.28 0.00 0.00 0.00 179.25 178.88 1h38 h VAL 693 N 0.84 1.30 -0.07 0.00 2.07 -1.03 -2.85 116.25 116.50 1h38 h VAL 693 Ca 0.52 -1.89 -0.09 0.00 0.82 0.00 0.00 66.70 66.07 1h38 h VAL 693 Cb 0.71 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1h38 h VAL 693 CO -0.30 0.59 -0.29 -0.33 0.02 0.00 0.00 177.57 177.27 1h38 h GLU 694 N 0.50 0.33 -0.20 1.57 5.08 -0.35 -2.28 114.58 119.24 1h38 h GLU 694 Ca -0.01 -0.25 0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1h38 h GLU 694 Cb 1.24 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.48 1h38 h GLU 694 CO 0.13 0.89 -0.18 0.00 -1.00 0.00 0.00 179.01 178.84 1h38 h ALA 695 N 0.44 -0.06 -0.64 3.43 0.00 -1.17 0.11 119.26 121.37 1h38 h ALA 695 Ca -0.01 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1h38 h ALA 695 Cb 0.93 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1h38 h ALA 695 CO 0.06 -0.61 0.30 0.52 0.00 0.00 0.00 179.25 179.51 1h38 h MET 696 N -0.20 0.91 -0.70 0.00 2.86 -1.54 -0.35 114.93 115.92 1h38 h MET 696 Ca 0.12 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1h38 h MET 696 Cb 0.38 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 1h38 h MET 696 CO -0.32 0.72 0.26 -0.91 1.06 0.00 0.00 176.91 177.71 1h38 h ASN 697 N 0.91 0.96 0.61 1.22 2.35 -0.66 0.17 115.58 121.15 1h38 h ASN 697 Ca 0.22 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1h38 h ASN 697 Cb 0.11 -0.25 0.01 0.00 0.05 0.00 0.00 38.32 38.24 1h38 h ASN 697 CO -0.03 0.87 -0.29 -0.25 -1.65 0.00 0.00 177.43 176.08 1h38 h TRP 698 N 1.02 -0.76 -0.97 1.19 7.01 -0.22 -1.29 115.95 121.93 1h38 h TRP 698 Ca 0.23 -0.02 0.25 0.00 2.11 0.00 0.00 58.89 61.46 1h38 h TRP 698 Cb 0.23 0.25 -0.07 0.00 -2.10 0.00 0.00 29.16 27.47 1h38 h TRP 698 CO 0.02 -0.42 0.66 -0.07 -2.79 0.00 0.00 178.44 175.83 1h38 h LEU 699 N -1.09 0.29 -0.39 0.65 3.38 -0.98 0.44 115.31 117.61 1h38 h LEU 699 Ca -0.08 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.74 1h38 h LEU 699 Cb 0.68 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1h38 h LEU 699 CO 0.14 0.09 -0.66 0.50 0.09 0.00 0.00 178.44 178.59 1h38 h LYS 700 N 0.27 0.57 -0.42 1.13 3.64 -0.73 -2.50 116.57 118.53 1h38 h LYS 700 Ca 0.51 -0.42 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 1h38 h LYS 700 Cb 1.51 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.39 1h38 h LYS 700 CO -0.16 1.04 -0.20 0.77 -2.27 0.00 0.00 179.45 178.63 1h38 h SER 701 N 0.41 0.84 0.20 4.20 0.02 0.10 -1.95 113.55 117.37 1h38 h SER 701 Ca -0.02 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1h38 h SER 701 Cb 1.24 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1h38 h SER 701 CO 0.12 1.02 -0.10 0.00 -1.14 0.00 0.00 176.83 176.74 1h38 h ALA 702 N 1.04 -0.27 -0.51 3.77 0.00 -1.11 -2.64 119.26 119.54 1h38 h ALA 702 Ca 0.10 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1h38 h ALA 702 Cb 0.73 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1h38 h ALA 702 CO 0.06 -0.51 0.34 0.00 0.00 0.00 0.00 179.25 179.14 1h38 h ALA 703 N 0.16 2.02 0.63 0.00 0.00 -1.42 -1.66 119.26 118.99 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 0.42 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1h38 h ALA 703 CO 0.05 -0.13 -0.30 -0.22 0.00 0.00 0.00 179.25 178.65 1h38 h LYS 704 N 0.35 -0.81 0.34 0.00 3.11 -1.10 -1.29 116.57 117.16 1h38 h LYS 704 Ca 0.23 0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 58.11 1h38 h LYS 704 Cb 0.45 0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.85 1h38 h LYS 704 CO -0.05 -0.52 -0.35 -0.07 -2.81 0.00 0.00 179.45 175.64 1h38 h LEU 705 N -0.91 -0.97 -1.85 5.20 3.38 -1.10 -2.12 115.31 116.94 1h38 h LEU 705 Ca -0.09 0.08 0.34 0.00 0.09 0.00 0.00 57.88 58.30 1h38 h LEU 705 Cb 0.67 0.32 -0.06 0.00 0.09 0.00 0.00 40.66 41.68 1h38 h LEU 705 CO 0.14 -0.46 0.84 -0.07 0.09 0.00 0.00 178.44 178.98 1h38 h LEU 706 N -0.69 0.10 -1.72 1.67 3.38 -1.34 0.49 115.31 117.20 1h38 h LEU 706 Ca -0.04 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1h38 h LEU 706 Cb 0.60 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1h38 h LEU 706 CO -0.05 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.49 1h38 n ALA 707 N -2.71 2.48 -1.74 1.53 0.00 -0.49 -0.29 120.51 119.28 1h38 n ALA 707 Ca 0.27 -0.73 -0.31 0.00 0.00 0.00 0.00 53.44 52.67 1h38 n ALA 707 Cb 1.21 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 19.72 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 -1.74 2.92 -0.82 0.00 0.00 0.17 -4.65 121.76 117.64 1h38 s ALA 708 Ca 0.35 0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.33 1h38 s ALA 708 Cb 0.20 -3.12 0.29 0.00 0.00 0.00 0.00 23.12 20.49 1h38 s ALA 708 CO 0.30 -0.88 1.12 -1.91 0.00 0.00 0.00 175.76 174.39 1h38 n GLU 709 N -2.82 3.54 -1.67 0.00 2.13 -1.26 -3.50 120.64 117.05 1h38 n GLU 709 Ca 0.07 -4.66 -0.47 0.00 0.66 0.00 0.00 57.16 52.76 1h38 n GLU 709 Cb 0.54 -2.36 -0.04 0.00 0.27 0.00 0.00 31.44 29.84 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 0.80 0.19 -4.18 6.31 3.14 -1.15 -4.91 118.33 118.54 1h38 n VAL 710 Ca 0.30 -0.03 -0.11 0.00 -2.96 0.00 0.00 64.34 61.54 1h38 n VAL 710 Cb 0.37 -1.65 -0.10 0.00 -1.06 0.00 0.00 33.84 31.39 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 1.93 1.06 -0.42 1.45 1.02 -1.26 -1.69 119.74 121.83 1h38 s LYS 711 Ca 0.83 -1.53 -0.16 0.00 0.02 0.00 0.00 55.97 55.13 1h38 s LYS 711 Cb -0.68 0.24 0.02 0.00 -0.52 0.00 0.00 37.83 36.90 1h38 s LYS 711 CO 0.42 -0.32 0.39 0.34 -0.92 0.00 0.00 175.35 175.26 1h38 s ASP 712 N -3.10 6.16 -1.33 2.83 -1.08 -0.74 -4.90 116.67 114.52 1h38 s ASP 712 Ca 0.31 -0.76 -0.08 0.00 -0.52 0.00 0.00 52.55 51.50 1h38 s ASP 712 Cb 0.07 -2.20 -0.09 0.00 -1.46 0.00 0.00 42.92 39.24 1h38 s ASP 712 CO 0.07 -0.53 2.74 1.17 0.52 0.00 0.00 175.17 179.14 1h38 n LYS 713 N 5.43 3.13 0.00 4.34 3.00 -1.26 0.23 118.16 133.03 1h38 n LYS 713 Ca -0.09 -1.91 0.00 0.00 -0.00 0.00 0.00 58.31 56.32 1h38 n LYS 713 Cb 0.47 -2.65 0.00 0.00 0.00 0.00 0.00 35.03 32.86 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 3.69 0.00 0.00 1.64 4.76 -1.26 -4.84 118.16 122.15 1h38 n LYS 714 Ca 0.67 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.11 1h38 n LYS 714 Cb 0.24 -0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.42 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 -1.31 -0.18 -1.04 -0.38 -5.00 114.28 106.38 1h38 n THR 715 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1h38 n THR 715 Cb 0.00 -0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.47 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 0.31 1.15 3.76 3.41 0.00 0.13 -4.96 105.19 109.00 1h38 n GLY 716 Ca 0.00 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.74 4.61 -0.58 1.61 2.12 -1.23 -4.85 118.70 117.64 1h38 s GLU 717 Ca 0.00 1.22 -0.28 0.00 0.36 0.00 0.00 54.97 56.27 1h38 s GLU 717 Cb 0.00 -3.31 0.02 0.00 0.26 0.00 0.00 34.13 31.10 1h38 s GLU 717 CO 0.00 0.42 1.33 0.42 -0.54 0.00 0.00 175.26 176.89 1h38 s ILE 718 N -0.63 3.86 0.08 -3.70 1.01 -1.26 -1.79 121.20 118.78 1h38 s ILE 718 Ca 0.39 0.74 0.02 0.00 0.00 0.00 0.00 60.65 61.80 1h38 s ILE 718 Cb -0.23 -4.57 -0.25 0.00 0.01 0.00 0.00 42.46 37.43 1h38 s ILE 718 CO 0.27 -1.27 1.16 -0.07 0.00 0.00 0.00 174.94 175.03 1h38 h LEU 719 N 12.67 0.20 -6.98 2.97 4.07 -1.67 -3.45 115.31 123.12 1h38 h LEU 719 Ca -0.26 -0.23 -0.22 0.00 0.08 0.00 0.00 57.88 57.25 1h38 h LEU 719 Cb 1.08 -0.07 -0.32 0.00 1.08 0.00 0.00 40.66 42.43 1h38 h LEU 719 CO 1.19 1.18 -0.53 -0.60 -1.08 0.00 0.00 178.44 178.60 1h38 s ARG 720 N -2.67 0.21 0.82 1.13 3.52 -1.09 -5.06 118.95 115.79 1h38 s ARG 720 Ca -0.02 0.63 -0.11 0.00 -0.13 0.00 0.00 55.73 56.09 1h38 s ARG 720 Cb 0.08 -0.32 0.08 0.00 -1.56 0.00 0.00 34.95 33.23 1h38 s ARG 720 CO 0.85 -0.42 1.09 0.21 -0.81 0.00 0.00 175.30 176.22 1h38 s LYS 721 N 2.44 1.93 -0.07 5.12 2.20 -1.26 -2.91 119.74 127.18 1h38 s LYS 721 Ca 0.04 0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 56.18 1h38 s LYS 721 Cb -0.13 -1.89 -0.05 0.00 -1.51 0.00 0.00 37.83 34.25 1h38 s LYS 721 CO -0.11 -1.77 1.66 -0.98 -0.36 0.00 0.00 175.35 173.79 1h38 s ARG 722 N -5.03 4.12 0.13 4.03 1.70 -1.23 -4.84 118.95 117.84 1h38 s ARG 722 Ca 0.61 2.13 -0.06 0.00 -0.47 0.00 0.00 55.73 57.94 1h38 s ARG 722 Cb -0.16 -4.00 -0.06 0.00 -0.57 0.00 0.00 34.95 30.16 1h38 s ARG 722 CO 0.56 -0.92 0.39 0.00 -1.08 0.00 0.00 175.30 174.25 1h38 s ALA 724 N -1.61 2.40 -0.17 0.00 0.00 -1.26 -3.73 121.76 117.38 1h38 s ALA 724 Ca 0.40 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 1h38 s ALA 724 Cb -0.12 -2.85 -0.01 0.00 0.00 0.00 0.00 23.12 20.14 1h38 s ALA 724 CO 0.23 -2.14 -0.11 0.08 0.00 0.00 0.00 175.76 173.81 1h38 s VAL 725 N -3.77 3.01 0.07 0.00 1.01 -0.69 -4.93 120.40 115.10 1h38 s VAL 725 Ca 0.69 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 62.09 1h38 s VAL 725 Cb -0.07 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1h38 s VAL 725 CO 0.51 0.49 -0.18 -2.28 0.00 0.00 0.00 175.10 173.64 1h38 s HIS 726 N 0.88 1.57 0.35 5.22 5.04 -1.26 -0.42 115.29 126.67 1h38 s HIS 726 Ca -0.03 -0.41 -0.17 0.00 -1.54 0.00 0.00 55.06 52.91 1h38 s HIS 726 Cb -0.15 -0.89 0.05 0.00 0.04 0.00 0.00 32.58 31.63 1h38 s HIS 726 CO -0.00 0.12 0.79 1.67 -2.34 0.00 0.00 174.74 174.98 1h38 s TRP 727 N -1.06 0.06 -0.05 3.88 -2.14 -0.94 -4.73 118.94 113.97 1h38 s TRP 727 Ca 0.04 -0.68 0.01 0.00 2.66 0.00 0.00 56.10 58.12 1h38 s TRP 727 Cb -0.09 0.81 0.02 0.00 -3.10 0.00 0.00 33.47 31.11 1h38 s TRP 727 CO 0.03 -1.47 -0.03 0.08 -2.66 0.00 0.00 176.95 172.90 1h38 s VAL 728 N -2.60 0.43 0.71 -0.66 1.01 -1.26 -1.27 120.40 116.77 1h38 s VAL 728 Ca 0.15 -0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.95 1h38 s VAL 728 Cb -0.05 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 35.87 1h38 s VAL 728 CO 0.10 0.21 1.13 0.42 0.00 0.00 0.00 175.10 176.97 1h38 s THR 729 N 1.10 2.93 0.49 3.92 -4.23 0.46 -4.88 115.64 115.43 1h38 s THR 729 Ca -0.08 0.41 0.30 0.00 -1.18 0.00 0.00 61.69 61.13 1h38 s THR 729 Cb -0.14 -2.90 0.49 0.00 1.34 0.00 0.00 72.50 71.29 1h38 s THR 729 CO -0.01 -0.29 1.79 -0.65 -0.54 0.00 0.00 174.62 174.92 1h38 h PRO 730 N -0.36 0.14 -0.66 3.99 0.11 -1.93 0.26 132.00 133.55 1h38 h PRO 730 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1h38 h PRO 730 Cb 1.26 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1h38 h PRO 730 CO 0.52 0.09 0.01 -0.40 -0.21 0.00 0.00 178.00 178.00 1h38 n ASP 731 N -4.36 4.93 0.00 -2.05 5.75 -1.26 -4.91 116.55 114.66 1h38 n ASP 731 Ca 0.25 -2.78 0.00 0.00 -0.01 0.00 0.00 54.79 52.25 1h38 n ASP 731 Cb 1.11 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 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 0.50 0.60 3.67 6.12 0.00 0.08 -4.19 105.19 111.97 1h38 n GLY 732 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.25 3.08 0.10 1.61 5.36 -1.24 -4.77 117.98 119.86 1h38 s PHE 733 Ca 0.00 1.20 -0.18 0.00 -0.96 0.00 0.00 56.93 56.99 1h38 s PHE 733 Cb 0.00 -3.41 -0.07 0.00 -0.34 0.00 0.00 43.02 39.20 1h38 s PHE 733 CO 0.00 -1.25 0.57 -1.25 -1.46 0.00 0.00 175.22 171.83 1h38 s PRO 734 N 3.04 4.13 0.00 10.12 0.04 -1.26 -0.40 135.00 150.67 1h38 s PRO 734 Ca 0.52 0.66 0.03 0.00 0.04 0.00 0.00 61.00 62.26 1h38 s PRO 734 Cb -0.21 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 1h38 s PRO 734 CO 0.15 0.58 -0.10 0.54 0.04 0.00 0.00 177.00 178.21 1h38 s VAL 735 N -1.23 0.75 -0.21 -0.36 0.11 -0.40 -4.99 120.40 114.08 1h38 s VAL 735 Ca 0.32 -0.50 0.01 0.00 -2.93 0.00 0.00 61.98 58.88 1h38 s VAL 735 Cb -0.18 -0.65 0.05 0.00 -1.53 0.00 0.00 36.38 34.07 1h38 s VAL 735 CO 0.19 0.14 -0.10 0.26 -3.33 0.00 0.00 175.10 172.26 1h38 s TRP 736 N -0.36 2.53 -0.35 1.54 0.51 -1.26 -2.21 118.94 119.34 1h38 s TRP 736 Ca 0.02 -1.70 -0.19 0.00 -2.12 0.00 0.00 56.10 52.11 1h38 s TRP 736 Cb -0.04 -1.68 -0.00 0.00 -0.81 0.00 0.00 33.47 30.94 1h38 s TRP 736 CO -0.00 -0.77 0.58 -1.14 -0.51 0.00 0.00 176.95 175.11 1h38 s GLN 737 N 1.35 3.66 -0.39 4.98 0.74 0.44 -4.97 119.66 125.46 1h38 s GLN 737 Ca -0.02 -0.04 0.07 0.00 0.05 0.00 0.00 55.36 55.42 1h38 s GLN 737 Cb -0.17 -3.81 0.24 0.00 1.10 0.00 0.00 33.01 30.37 1h38 s GLN 737 CO -0.08 -0.69 0.50 -1.91 -0.55 0.00 0.00 175.29 172.56 1h38 n GLU 738 N 5.89 0.64 -2.17 1.67 2.13 -1.26 -1.70 120.64 125.84 1h38 n GLU 738 Ca -0.03 -3.22 -0.43 0.00 0.66 0.00 0.00 57.16 54.15 1h38 n GLU 738 Cb 0.49 -1.28 -0.02 0.00 0.27 0.00 0.00 31.44 30.90 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 -1.01 2.21 0.00 4.31 2.02 -1.26 -4.94 117.35 118.69 1h38 s TYR 739 Ca 0.35 0.60 -0.01 0.00 -0.37 0.00 0.00 57.07 57.64 1h38 s TYR 739 Cb 0.15 -3.96 -0.04 0.00 -0.40 0.00 0.00 41.96 37.71 1h38 s TYR 739 CO -0.12 -2.72 0.12 0.15 -1.57 0.00 0.00 175.55 171.40 1h38 s LYS 740 N 4.56 3.18 -0.14 -0.62 1.02 -1.26 0.27 119.74 126.74 1h38 s LYS 740 Ca 0.69 -0.44 -0.01 0.00 0.02 0.00 0.00 55.97 56.22 1h38 s LYS 740 Cb -0.24 -2.93 -0.02 0.00 -0.52 0.00 0.00 37.83 34.13 1h38 s LYS 740 CO 0.28 0.65 -0.10 0.21 -0.92 0.00 0.00 175.35 175.47 1h38 s LYS 741 N -1.85 3.47 0.55 1.68 2.20 0.40 -4.67 119.74 121.51 1h38 s LYS 741 Ca 0.25 -0.63 -0.18 0.00 -0.36 0.00 0.00 55.97 55.05 1h38 s LYS 741 Cb -0.12 -2.74 -0.06 0.00 -1.51 0.00 0.00 37.83 33.40 1h38 s LYS 741 CO 0.16 0.20 1.06 -2.14 -0.36 0.00 0.00 175.35 174.26 1h38 s PRO 742 N 0.42 3.52 -0.02 4.03 0.02 -1.26 -1.08 135.00 140.62 1h38 s PRO 742 Ca -0.08 1.31 0.20 0.00 0.02 0.00 0.00 61.00 62.45 1h38 s PRO 742 Cb -0.15 -2.05 0.62 0.00 0.02 0.00 0.00 34.50 32.93 1h38 s PRO 742 CO 0.04 -0.66 1.52 -0.89 -0.33 0.00 0.00 177.00 176.68 1h38 n ILE 743 N -1.53 1.09 -1.90 2.83 5.41 -1.18 -4.90 119.36 119.17 1h38 n ILE 743 Ca 0.09 -0.95 -0.23 0.00 1.00 0.00 0.00 62.75 62.67 1h38 n ILE 743 Cb 0.53 0.37 0.15 0.00 -0.71 0.00 0.00 39.64 39.98 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 1.39 -0.83 0.00 0.38 6.02 -1.26 -5.11 117.38 117.97 1h38 n GLN 744 Ca 0.23 -1.76 0.00 0.00 -0.01 0.00 0.00 57.00 55.46 1h38 n GLN 744 Cb 0.63 -0.99 0.00 0.00 1.02 0.00 0.00 30.24 30.91 1h38 n GLN 744 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1h38 n THR 745 N -3.30 0.00 -2.72 5.09 -2.24 -1.26 -5.10 114.28 104.76 1h38 n THR 745 Ca 0.13 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.87 1h38 n THR 745 Cb 0.47 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.72 1h38 n THR 745 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1h38 n ARG 746 N 0.00 0.37 -2.99 -0.78 1.74 -1.26 -4.93 116.66 108.80 1h38 n ARG 746 Ca 0.00 -1.46 -0.42 0.00 -0.77 0.00 0.00 57.85 55.20 1h38 n ARG 746 Cb 0.00 -0.78 -0.06 0.00 -1.02 0.00 0.00 32.46 30.60 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 0.73 4.19 0.32 0.55 2.96 -1.26 -2.62 118.68 123.55 1h38 s LEU 747 Ca 0.27 0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 1h38 s LEU 747 Cb 0.08 -2.96 -0.03 0.00 0.50 0.00 0.00 46.19 43.78 1h38 s LEU 747 CO -0.09 -0.75 0.51 0.20 -1.32 0.00 0.00 176.35 174.90 1h38 s ASN 748 N 1.90 6.31 0.00 3.68 -0.87 -1.25 -4.96 114.94 119.75 1h38 s ASN 748 Ca 0.29 0.39 0.00 0.00 -1.57 0.00 0.00 52.86 51.98 1h38 s ASN 748 Cb -0.13 -2.01 0.00 0.00 -0.02 0.00 0.00 41.25 39.09 1h38 s ASN 748 CO 0.18 -0.24 0.00 0.18 -2.57 0.00 0.00 177.10 174.64 1h38 n LEU 749 N -1.65 0.99 -0.90 0.60 7.99 -1.26 -4.69 117.00 118.08 1h38 n LEU 749 Ca -0.05 0.00 0.09 0.00 -0.01 0.00 0.00 56.01 56.03 1h38 n LEU 749 Cb 0.56 0.00 0.19 0.00 -0.11 0.00 0.00 43.42 44.06 1h38 n LEU 749 CO 0.48 0.00 0.65 1.15 -1.51 0.00 0.00 177.39 178.16 1h38 n MET 750 N -0.22 2.38 -0.01 3.23 0.00 -1.26 -4.73 117.12 116.50 1h38 n MET 750 Ca 0.00 -2.11 -0.01 0.00 0.00 0.00 0.00 57.70 55.59 1h38 n MET 750 Cb 0.00 -1.39 -0.00 0.00 0.00 0.00 0.00 33.22 31.83 1h38 n MET 750 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 1h38 n PHE 751 N 1.05 0.00 0.00 3.17 3.01 -1.26 -4.68 117.46 118.75 1h38 n PHE 751 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.62 1h38 n PHE 751 Cb 0.50 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 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 -2.71 0.00 0.00 4.37 4.32 -1.26 -5.01 117.00 116.71 1h38 n LEU 752 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 1h38 n LEU 752 Cb 0.05 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 1h38 n LEU 752 CO 0.02 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.80 1h38 n GLY 753 N 0.00 0.87 0.00 -0.72 0.00 -1.26 -3.93 105.19 100.15 1h38 n GLY 753 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 0.01 0.00 -0.46 1.61 1.13 -1.08 -4.62 117.38 113.98 1h38 n GLN 754 Ca 0.00 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 54.90 1h38 n GLN 754 Cb 0.00 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.37 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 -2.27 0.00 1.08 -1.74 -1.26 -4.30 117.46 108.96 1h38 n PHE 755 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1h38 n PHE 755 Cb 0.00 -0.65 0.00 0.00 1.52 0.00 0.00 39.48 40.35 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 1.09 0.00 -0.04 3.97 0.63 -1.26 -4.85 116.66 116.20 1h38 n ARG 756 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1h38 n ARG 756 Cb 0.25 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.16 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 -1.22 0.00 -3.86 6.15 -0.08 -1.26 -5.04 116.55 111.24 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 -0.06 -0.08 0.00 2.34 0.00 0.00 41.12 43.31 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 -0.17 0.07 0.16 1.67 1.04 -1.26 -3.12 113.70 112.09 1h38 s SER 767 Ca 0.00 -0.45 0.07 0.00 0.48 0.00 0.00 55.95 56.05 1h38 s SER 767 Cb 0.00 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 1h38 s SER 767 CO 0.00 -0.59 -0.15 -1.83 0.98 0.00 0.00 173.24 171.66 1h38 s GLU 768 N -2.84 1.17 0.10 4.02 -1.05 -0.24 -4.88 118.70 114.98 1h38 s GLU 768 Ca -0.03 -1.40 -0.36 0.00 -0.15 0.00 0.00 54.97 53.03 1h38 s GLU 768 Cb 0.00 -1.04 -0.17 0.00 -0.44 0.00 0.00 34.13 32.48 1h38 s GLU 768 CO -0.05 0.19 1.27 -0.89 0.95 0.00 0.00 175.26 176.72 1h38 n ILE 769 N 0.15 0.23 -2.95 1.83 -0.00 -1.26 0.15 119.36 117.51 1h38 n ILE 769 Ca -0.12 -0.06 -0.44 0.00 -0.00 0.00 0.00 62.75 62.13 1h38 n ILE 769 Cb 0.58 -0.74 -0.04 0.00 -0.00 0.00 0.00 39.64 39.44 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 0.31 6.26 0.29 4.38 2.15 0.76 -4.60 116.67 126.22 1h38 s ASP 770 Ca 0.82 -1.33 0.04 0.00 0.43 0.00 0.00 52.55 52.51 1h38 s ASP 770 Cb -0.96 -2.38 0.66 0.00 -0.30 0.00 0.00 42.92 39.95 1h38 s ASP 770 CO 0.49 -1.27 1.78 0.00 -0.17 0.00 0.00 175.17 176.00 1h38 h ALA 771 N 9.30 1.55 0.23 3.66 0.00 -1.84 -0.55 119.26 131.62 1h38 h ALA 771 Ca -0.21 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1h38 h ALA 771 Cb 1.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1h38 h ALA 771 CO 1.14 -0.02 -0.11 0.45 0.00 0.00 0.00 179.25 180.71 1h38 h HIS 772 N 0.76 -0.29 -0.27 0.00 3.86 -1.96 -0.06 115.15 117.19 1h38 h HIS 772 Ca 0.54 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.74 1h38 h HIS 772 Cb 0.78 0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.34 1h38 h HIS 772 CO -0.03 -0.02 0.14 0.87 0.86 0.00 0.00 177.93 179.76 1h38 h LYS 773 N -0.55 0.37 -0.75 2.45 1.57 -1.85 0.22 116.57 118.03 1h38 h LYS 773 Ca -0.03 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1h38 h LYS 773 Cb 0.41 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1h38 h LYS 773 CO 0.05 0.28 0.34 0.37 -0.57 0.00 0.00 179.45 179.92 1h38 h GLN 774 N 0.37 1.08 0.00 3.15 5.75 -0.73 -0.68 115.11 124.06 1h38 h GLN 774 Ca 0.10 -0.16 -0.10 0.00 -0.15 0.00 0.00 58.65 58.34 1h38 h GLN 774 Cb 0.02 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 1h38 h GLN 774 CO -0.02 0.85 -0.75 1.49 -2.65 0.00 0.00 178.83 177.75 1h38 h GLU 775 N 1.07 0.00 0.00 1.69 4.81 0.48 -3.18 114.58 119.45 1h38 h GLU 775 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1h38 h GLU 775 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1h38 h GLU 775 CO -0.03 0.32 -0.89 0.66 -0.73 0.00 0.00 179.01 178.34 1h38 h SER 776 N 0.00 0.00 -0.02 1.04 4.64 -0.27 -3.35 113.55 115.59 1h38 h SER 776 Ca -0.05 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1h38 h SER 776 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1h38 h SER 776 CO 0.04 0.02 -0.18 0.61 -0.87 0.00 0.00 176.83 176.45 1h38 n GLY 777 N 1.21 0.15 0.29 -0.77 0.00 -0.29 -4.67 105.19 101.11 1h38 n GLY 777 Ca 0.01 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 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 2.65 0.47 0.92 -0.61 6.09 -1.69 -1.39 117.51 123.95 1h38 h ILE 778 Ca 0.00 -0.16 -0.05 0.00 -1.37 0.00 0.00 64.86 63.29 1h38 h ILE 778 Cb 0.65 0.54 0.01 0.00 0.47 0.00 0.00 36.82 38.50 1h38 h ILE 778 CO 0.00 0.03 -0.44 0.00 -3.07 0.00 0.00 178.15 174.67 1h38 h ALA 779 N -0.35 -1.23 -0.66 0.18 0.00 -1.84 0.30 119.26 115.65 1h38 h ALA 779 Ca -0.07 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 54.67 1h38 h ALA 779 Cb 0.57 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1h38 h ALA 779 CO 0.12 -1.17 0.28 -1.00 0.00 0.00 0.00 179.25 177.48 1h38 h PRO 780 N -1.28 0.47 -0.52 0.00 0.13 -1.71 -1.60 132.00 127.48 1h38 h PRO 780 Ca -0.13 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.94 1h38 h PRO 780 Cb 0.95 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.95 1h38 h PRO 780 CO 0.21 0.31 0.17 -0.91 -0.23 0.00 0.00 178.00 177.54 1h38 h ASN 781 N 0.48 0.71 0.54 1.44 -0.26 -1.05 -1.75 115.58 115.69 1h38 h ASN 781 Ca 0.34 -0.10 -0.03 0.00 -0.56 0.00 0.00 56.30 55.95 1h38 h ASN 781 Cb 0.41 -0.18 0.01 0.00 -1.06 0.00 0.00 38.32 37.49 1h38 h ASN 781 CO -0.31 0.68 -0.26 0.15 -1.06 0.00 0.00 177.43 176.63 1h38 h PHE 782 N 0.76 -0.67 -0.31 1.19 3.57 0.55 -0.59 116.94 121.43 1h38 h PHE 782 Ca 0.18 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.72 1h38 h PHE 782 Cb 0.22 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 1h38 h PHE 782 CO 0.01 -0.38 -0.02 0.28 -2.23 0.00 0.00 178.31 175.97 1h38 h VAL 783 N -0.80 0.75 -0.97 1.41 2.07 -1.27 0.21 116.25 117.64 1h38 h VAL 783 Ca -0.07 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.51 1h38 h VAL 783 Cb 0.59 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 1h38 h VAL 783 CO 0.12 0.01 0.61 0.45 0.02 0.00 0.00 177.57 178.78 1h38 h HIS 784 N 0.06 1.12 -0.83 1.57 3.86 -1.26 0.50 115.15 120.17 1h38 h HIS 784 Ca 0.15 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1h38 h HIS 784 Cb 0.21 -0.36 -0.04 0.00 1.06 0.00 0.00 27.41 28.28 1h38 h HIS 784 CO -0.25 0.53 0.43 0.66 0.86 0.00 0.00 177.93 180.16 1h38 h SER 785 N 1.06 1.06 0.18 2.45 4.64 0.67 0.17 113.55 123.78 1h38 h SER 785 Ca 0.44 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.65 1h38 h SER 785 Cb 0.29 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1h38 h SER 785 CO -0.21 0.87 -0.08 -0.61 -0.87 0.00 0.00 176.83 175.93 1h38 h GLN 786 N 1.18 -0.23 0.00 4.77 5.75 0.23 -1.11 115.11 125.70 1h38 h GLN 786 Ca 0.29 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.80 1h38 h GLN 786 Cb 0.07 0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.67 1h38 h GLN 786 CO -0.04 0.00 -0.03 0.38 -2.65 0.00 0.00 178.83 176.49 1h38 h ASP 787 N -0.43 0.00 -0.35 -0.69 3.04 0.08 -1.08 116.42 116.99 1h38 h ASP 787 Ca -0.02 0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.65 1h38 h ASP 787 Cb 0.33 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.62 1h38 h ASP 787 CO 0.04 0.03 -0.24 1.23 -2.04 0.00 0.00 179.24 178.26 1h38 h GLY 788 N 1.53 0.86 1.38 7.15 0.00 -0.12 -1.98 103.07 111.89 1h38 h GLY 788 Ca -0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 47.33 46.40 1h38 h GLY 788 CO 0.00 0.74 -0.25 0.23 0.00 0.00 0.00 176.54 177.26 1h38 h SER 789 N 0.57 0.73 -0.72 0.19 0.87 -0.45 -2.13 113.55 112.60 1h38 h SER 789 Ca 0.07 -0.27 0.04 0.00 -1.23 0.00 0.00 61.79 60.40 1h38 h SER 789 Cb 0.80 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 62.51 1h38 h SER 789 CO 0.06 0.95 0.45 -0.74 -0.53 0.00 0.00 176.83 177.02 1h38 h HIS 790 N 0.62 0.84 -0.49 2.24 -0.00 -1.01 -0.44 115.15 116.90 1h38 h HIS 790 Ca 0.08 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.46 1h38 h HIS 790 Cb 0.75 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.86 1h38 h HIS 790 CO 0.04 0.47 0.23 1.25 -0.00 0.00 0.00 177.93 179.91 1h38 h LEU 791 N 0.87 0.65 0.16 0.26 6.46 -1.16 -0.11 115.31 122.44 1h38 h LEU 791 Ca 0.30 -0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.91 1h38 h LEU 791 Cb 0.05 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 39.81 1h38 h LEU 791 CO -0.12 0.61 -0.08 0.03 -0.62 0.00 0.00 178.44 178.26 1h38 h ARG 792 N 0.65 -0.21 -0.83 1.25 3.08 -0.99 -0.58 114.38 116.75 1h38 h ARG 792 Ca 0.17 0.01 0.19 0.00 0.07 0.00 0.00 59.98 60.43 1h38 h ARG 792 Cb 0.13 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.11 1h38 h ARG 792 CO -0.02 0.06 0.31 0.87 -1.07 0.00 0.00 179.97 180.12 1h38 h LYS 793 N -0.47 0.35 -0.53 0.04 1.57 -0.90 0.85 116.57 117.47 1h38 h LYS 793 Ca -0.02 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1h38 h LYS 793 Cb 0.37 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1h38 h LYS 793 CO 0.04 0.23 0.24 1.15 -0.57 0.00 0.00 179.45 180.53 1h38 h THR 794 N 0.36 1.21 -0.55 -0.16 2.02 -0.79 0.13 112.91 115.13 1h38 h THR 794 Ca 0.50 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1h38 h THR 794 Cb 0.90 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1h38 h THR 794 CO -0.52 0.24 0.32 0.58 0.37 0.00 0.00 175.52 176.51 1h38 h VAL 795 N 0.71 1.17 -0.07 3.16 2.07 0.74 -0.10 116.25 123.93 1h38 h VAL 795 Ca 0.18 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1h38 h VAL 795 Cb 0.15 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1h38 h VAL 795 CO -0.02 0.18 -0.06 0.58 0.02 0.00 0.00 177.57 178.27 1h38 h VAL 796 N 0.74 1.36 -0.62 2.57 2.07 -0.79 -2.53 116.25 119.04 1h38 h VAL 796 Ca 0.19 -1.19 0.06 0.00 0.82 0.00 0.00 66.70 66.59 1h38 h VAL 796 Cb 0.01 2.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 1h38 h VAL 796 CO -0.03 0.33 0.32 -0.25 0.02 0.00 0.00 177.57 177.95 1h38 h TRP 797 N -0.25 0.58 0.00 1.57 -0.00 -0.66 0.50 115.95 117.69 1h38 h TRP 797 Ca 0.01 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.93 1h38 h TRP 797 Cb 0.56 -0.17 0.00 0.00 -0.00 0.00 0.00 29.16 29.55 1h38 h TRP 797 CO 0.09 0.26 0.00 0.00 -0.00 0.00 0.00 178.44 178.78 1h38 h ALA 798 N 1.35 1.00 0.00 2.65 0.00 -1.02 0.12 119.26 123.36 1h38 h ALA 798 Ca 0.29 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.87 1h38 h ALA 798 Cb 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1h38 h ALA 798 CO -0.20 0.00 -2.05 1.58 0.00 0.00 0.00 179.25 178.58 1h38 n HIS 799 N -2.41 0.47 -0.08 0.00 -0.00 -0.46 -2.87 115.22 109.87 1h38 n HIS 799 Ca 0.03 0.17 -0.23 0.00 -0.00 0.00 0.00 57.72 57.70 1h38 n HIS 799 Cb 0.31 -1.08 -0.12 0.00 -0.00 0.00 0.00 29.99 29.10 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 -2.88 0.64 0.10 1.57 1.02 0.04 -4.50 120.64 116.64 1h38 n GLU 800 Ca -0.25 0.37 -0.12 0.00 -0.02 0.00 0.00 57.16 57.15 1h38 n GLU 800 Cb 1.09 -1.67 -0.08 0.00 -0.02 0.00 0.00 31.44 30.77 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 -0.52 -0.29 -6.38 3.49 1.63 -0.96 -3.45 116.57 110.09 1h38 h LYS 801 Ca -0.46 0.02 -0.45 0.00 -0.85 0.00 0.00 60.65 58.91 1h38 h LYS 801 Cb 1.67 0.07 0.01 0.00 -0.60 0.00 0.00 32.23 33.37 1h38 h LYS 801 CO -0.13 0.09 -0.30 0.71 -3.45 0.00 0.00 179.45 176.36 1h38 s TYR 802 N -3.92 3.26 -1.67 1.91 2.02 -1.22 -4.99 117.35 112.74 1h38 s TYR 802 Ca -0.13 -0.03 0.03 0.00 -0.37 0.00 0.00 57.07 56.57 1h38 s TYR 802 Cb 0.01 -1.94 0.12 0.00 -0.40 0.00 0.00 41.96 39.75 1h38 s TYR 802 CO 0.50 0.05 0.98 0.41 -1.57 0.00 0.00 175.55 175.92 1h38 n GLY 803 N -1.68 0.22 3.62 0.71 0.00 -1.26 -4.09 105.19 102.72 1h38 n GLY 803 Ca -0.03 -0.14 -0.48 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.06 0.58 -1.00 -0.61 5.41 -1.14 -4.90 119.36 117.64 1h38 n ILE 804 Ca 0.04 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1h38 n ILE 804 Cb 0.20 -1.12 0.00 0.00 -0.71 0.00 0.00 39.64 38.00 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 2.25 0.00 -4.06 0.38 0.28 -1.26 -4.13 120.64 114.10 1h38 n GLU 805 Ca 0.15 -0.20 -0.30 0.00 -0.16 0.00 0.00 57.16 56.65 1h38 n GLU 805 Cb 0.26 -0.50 -0.16 0.00 1.43 0.00 0.00 31.44 32.47 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 2.69 0.03 -1.84 0.01 -1.26 -4.54 113.70 108.79 1h38 s SER 806 Ca 0.00 -0.49 0.06 0.00 1.31 0.00 0.00 55.95 56.83 1h38 s SER 806 Cb 0.00 -1.19 -0.02 0.00 0.21 0.00 0.00 66.02 65.02 1h38 s SER 806 CO 0.00 -0.05 -0.17 -0.36 0.41 0.00 0.00 173.24 173.08 1h38 s PHE 807 N 1.44 1.45 -0.37 2.43 0.40 -1.26 -4.40 117.98 117.67 1h38 s PHE 807 Ca 0.04 -0.34 -0.06 0.00 -0.60 0.00 0.00 56.93 55.97 1h38 s PHE 807 Cb -0.13 -0.87 0.06 0.00 0.51 0.00 0.00 43.02 42.59 1h38 s PHE 807 CO -0.10 0.05 0.15 0.00 0.70 0.00 0.00 175.22 176.01 1h38 s ALA 808 N -0.76 3.09 -0.07 5.36 0.00 0.10 -4.91 121.76 124.57 1h38 s ALA 808 Ca 0.04 -2.00 0.04 0.00 0.00 0.00 0.00 51.96 50.04 1h38 s ALA 808 Cb -0.08 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 1h38 s ALA 808 CO 0.01 -1.49 -0.20 -0.51 0.00 0.00 0.00 175.76 173.57 1h38 s LEU 809 N 1.34 2.38 -0.42 0.00 1.43 -1.26 -0.64 118.68 121.51 1h38 s LEU 809 Ca 0.01 -0.39 0.08 0.00 -1.03 0.00 0.00 54.13 52.80 1h38 s LEU 809 Cb -0.21 -1.47 0.30 0.00 0.03 0.00 0.00 46.19 44.84 1h38 s LEU 809 CO 0.01 0.25 0.79 -0.38 0.23 0.00 0.00 176.35 177.25 1h38 n ILE 810 N 2.93 -0.24 0.00 -0.59 5.41 -0.49 -4.73 119.36 121.65 1h38 n ILE 810 Ca -0.18 -3.17 0.00 0.00 1.00 0.00 0.00 62.75 60.40 1h38 n ILE 810 Cb 0.52 0.02 0.00 0.00 -0.71 0.00 0.00 39.64 39.47 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 0.84 0.00 -1.94 1.39 8.25 -1.26 -2.36 115.22 120.14 1h38 n HIS 811 Ca 0.17 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.66 1h38 n HIS 811 Cb 0.63 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.88 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 0.85 1.67 -3.90 0.41 5.68 -1.26 -4.79 116.55 115.21 1h38 n ASP 812 Ca 0.00 -3.25 -0.19 0.00 -0.50 0.00 0.00 54.79 50.84 1h38 n ASP 812 Cb 0.00 -0.45 -0.16 0.00 -1.14 0.00 0.00 41.12 39.37 1h38 n ASP 812 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1h38 s SER 813 N -2.89 0.87 -0.05 -1.12 0.15 -1.00 -1.52 113.70 108.14 1h38 s SER 813 Ca 0.37 -0.12 0.05 0.00 0.70 0.00 0.00 55.95 56.95 1h38 s SER 813 Cb 0.38 -0.40 -0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1h38 s SER 813 CO -0.09 -0.04 -0.19 -0.36 1.20 0.00 0.00 173.24 173.75 1h38 s PHE 814 N 0.81 1.92 0.11 3.44 0.40 -0.75 -1.40 117.98 122.52 1h38 s PHE 814 Ca -0.11 -0.59 -0.06 0.00 -0.60 0.00 0.00 56.93 55.58 1h38 s PHE 814 Cb -0.14 -1.29 -0.02 0.00 0.51 0.00 0.00 43.02 42.09 1h38 s PHE 814 CO 0.00 -0.20 0.15 0.20 0.70 0.00 0.00 175.22 176.07 1h38 s GLY 815 N 0.05 0.48 0.34 4.36 0.00 0.19 0.43 107.32 113.16 1h38 s GLY 815 Ca -0.05 -0.99 -0.14 0.00 0.00 0.00 0.00 44.72 43.54 1h38 s GLY 815 CO 0.03 -1.03 0.73 -1.30 0.00 0.00 0.00 173.10 171.53 1h38 n THR 816 N -0.09 0.00 -1.70 0.90 -2.24 -1.11 -0.72 114.28 109.32 1h38 n THR 816 Ca -0.10 -0.87 -0.33 0.00 -2.27 0.00 0.00 64.05 60.48 1h38 n THR 816 Cb 0.63 0.88 0.06 0.00 -2.10 0.00 0.00 70.33 69.79 1h38 n THR 816 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1h38 s ILE 817 N -2.18 3.05 0.18 2.28 -4.36 -1.26 -0.71 121.20 118.20 1h38 s ILE 817 Ca 0.15 0.50 -0.21 0.00 -0.26 0.00 0.00 60.65 60.82 1h38 s ILE 817 Cb -0.04 -3.02 0.10 0.00 1.25 0.00 0.00 42.46 40.75 1h38 s ILE 817 CO 0.10 -0.29 1.59 -0.65 0.24 0.00 0.00 174.94 175.93 1h38 h PRO 818 N -0.01 -0.18 -0.40 0.37 0.11 -1.83 0.11 132.00 130.18 1h38 h PRO 818 Ca -0.47 0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.77 1h38 h PRO 818 Cb 1.26 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 1h38 h PRO 818 CO 0.53 -0.12 0.49 0.00 -0.21 0.00 0.00 178.00 178.69 1h38 h ALA 819 N 0.94 2.08 -0.02 -0.75 0.00 -1.85 0.52 119.26 120.18 1h38 h ALA 819 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1h38 h ALA 819 Cb 0.54 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1h38 h ALA 819 CO -0.62 -0.70 -0.01 -0.25 0.00 0.00 0.00 179.25 177.67 1h38 n ASP 820 N -3.56 2.26 0.04 0.00 9.92 -0.04 -4.66 116.55 120.50 1h38 n ASP 820 Ca 0.07 -1.63 -0.11 0.00 -0.53 0.00 0.00 54.79 52.59 1h38 n ASP 820 Cb 0.66 0.02 -0.05 0.00 -0.64 0.00 0.00 41.12 41.11 1h38 n ASP 820 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1h38 h ALA 821 N 3.02 -0.08 -0.75 2.24 0.00 -0.12 -1.45 119.26 122.12 1h38 h ALA 821 Ca 0.00 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1h38 h ALA 821 Cb 0.64 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1h38 h ALA 821 CO 0.00 -0.58 0.50 0.00 0.00 0.00 0.00 179.25 179.17 1h38 h ALA 822 N 0.85 1.99 0.04 0.00 0.00 -1.83 0.46 119.26 120.77 1h38 h ALA 822 Ca 0.05 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 1h38 h ALA 822 Cb 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1h38 h ALA 822 CO -0.13 -0.18 -1.02 -0.91 0.00 0.00 0.00 179.25 177.02 1h38 h ASN 823 N 0.51 0.30 0.02 0.00 -0.26 -1.66 -2.99 115.58 111.50 1h38 h ASN 823 Ca 0.36 -0.28 -0.13 0.00 -0.56 0.00 0.00 56.30 55.69 1h38 h ASN 823 Cb 0.70 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.85 1h38 h ASN 823 CO -0.13 1.14 -0.43 0.25 -1.06 0.00 0.00 177.43 177.20 1h38 h LEU 824 N 0.10 0.54 -1.08 1.61 5.85 -0.26 0.25 115.31 122.32 1h38 h LEU 824 Ca -0.07 -0.25 0.13 0.00 0.84 0.00 0.00 57.88 58.53 1h38 h LEU 824 Cb 1.70 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.49 1h38 h LEU 824 CO 0.16 0.91 0.62 0.15 -0.34 0.00 0.00 178.44 179.93 1h38 h PHE 825 N 0.41 1.06 -0.00 1.25 3.04 -0.92 -0.16 116.94 121.63 1h38 h PHE 825 Ca 0.03 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 1h38 h PHE 825 Cb 0.93 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 39.10 1h38 h PHE 825 CO 0.03 0.40 -0.05 -0.22 -2.02 0.00 0.00 178.31 176.45 1h38 h LYS 826 N 0.90 0.04 -0.44 1.11 3.64 -1.31 -3.30 116.57 117.21 1h38 h LYS 826 Ca 0.49 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.92 1h38 h LYS 826 Cb 0.58 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.34 1h38 h LYS 826 CO -0.26 0.78 -0.01 0.00 -2.27 0.00 0.00 179.45 177.69 1h38 h ALA 827 N 0.25 0.40 -0.52 5.00 0.00 0.04 -0.80 119.26 123.64 1h38 h ALA 827 Ca -0.01 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1h38 h ALA 827 Cb 0.80 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1h38 h ALA 827 CO 0.01 -0.39 0.34 0.28 0.00 0.00 0.00 179.25 179.49 1h38 h VAL 828 N 0.10 1.13 -0.12 0.00 2.07 -1.17 -0.34 116.25 117.92 1h38 h VAL 828 Ca 0.22 -0.24 -0.13 0.00 0.82 0.00 0.00 66.70 67.37 1h38 h VAL 828 Cb 0.32 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1h38 h VAL 828 CO -0.37 0.13 -0.42 0.03 0.02 0.00 0.00 177.57 176.96 1h38 h ARG 829 N 0.70 0.50 -0.08 1.57 2.47 -1.42 -2.59 114.38 115.53 1h38 h ARG 829 Ca 0.19 -0.37 0.01 0.00 -1.26 0.00 0.00 59.98 58.54 1h38 h ARG 829 Cb -0.08 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 1h38 h ARG 829 CO -0.04 1.00 0.03 0.93 0.56 0.00 0.00 179.97 182.44 1h38 h GLU 830 N 0.10 0.07 -0.48 0.04 5.08 -0.77 0.16 114.58 118.78 1h38 h GLU 830 Ca -0.02 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1h38 h GLU 830 Cb 1.04 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 1h38 h GLU 830 CO 0.09 0.04 0.32 0.00 -1.00 0.00 0.00 179.01 178.46 1h38 h THR 831 N 0.07 1.04 -0.02 1.13 1.03 -1.14 0.21 112.91 115.23 1h38 h THR 831 Ca 0.03 -0.18 -0.10 0.00 -0.01 0.00 0.00 66.41 66.16 1h38 h THR 831 Cb 0.02 0.47 0.01 0.00 -1.07 0.00 0.00 68.15 67.57 1h38 h THR 831 CO -0.04 0.10 -0.37 -0.03 -0.01 0.00 0.00 175.52 175.17 1h38 h MET 832 N 0.53 0.29 -0.60 0.00 1.85 -0.97 -2.85 114.93 113.17 1h38 h MET 832 Ca 0.20 -0.28 -0.05 0.00 -0.61 0.00 0.00 59.70 58.95 1h38 h MET 832 Cb 0.12 0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.20 1h38 h MET 832 CO -0.05 0.96 0.16 0.28 -0.40 0.00 0.00 176.91 177.87 1h38 h VAL 833 N -0.27 1.25 0.14 -5.77 2.07 -0.34 -2.98 116.25 110.34 1h38 h VAL 833 Ca -0.04 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1h38 h VAL 833 Cb 1.07 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1h38 h VAL 833 CO 0.07 0.33 -0.07 -0.78 0.02 0.00 0.00 177.57 177.15 1h38 h ASP 834 N 0.87 -0.16 -0.81 0.57 3.58 -0.68 -1.90 116.42 117.88 1h38 h ASP 834 Ca 0.19 -0.11 0.17 0.00 0.42 0.00 0.00 57.03 57.70 1h38 h ASP 834 Cb 0.33 0.04 -0.11 0.00 1.72 0.00 0.00 39.33 41.31 1h38 h ASP 834 CO -0.00 0.01 0.31 0.74 -2.88 0.00 0.00 179.24 177.42 1h38 h THR 835 N -0.33 0.56 0.00 2.25 2.02 -1.47 -1.01 112.91 114.92 1h38 h THR 835 Ca -0.02 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1h38 h THR 835 Cb 0.26 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1h38 h THR 835 CO 0.03 0.07 -0.30 -1.22 0.37 0.00 0.00 175.52 174.47 1h38 n TYR 836 N -5.05 0.00 0.06 3.16 4.01 -1.13 -1.49 117.16 116.73 1h38 n TYR 836 Ca 0.17 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.90 1h38 n TYR 836 Cb 0.51 -0.35 -0.06 0.00 -0.31 0.00 0.00 39.34 39.13 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 -0.38 -3.37 114.58 115.19 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 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1h38 h GLU 837 CO 0.00 0.52 -1.74 0.43 -1.00 0.00 0.00 179.01 177.22 1h38 n SER 838 N -3.10 0.22 -3.90 1.42 7.64 -0.64 -4.98 113.62 110.28 1h38 n SER 838 Ca -0.05 -0.02 -0.13 0.00 1.01 0.00 0.00 58.87 59.68 1h38 n SER 838 Cb 0.85 1.64 -0.14 0.00 -1.01 0.00 0.00 64.21 65.56 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 2.87 6.02 -0.42 0.00 -0.08 -1.26 -4.61 116.55 119.06 1h38 n ASP 840 Ca -0.14 -3.56 0.33 0.00 -1.51 0.00 0.00 54.79 49.91 1h38 n ASP 840 Cb 0.59 -1.02 0.53 0.00 2.34 0.00 0.00 41.12 43.55 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 0.51 -0.07 -0.01 5.18 0.24 -1.26 0.12 118.33 123.03 1h38 n VAL 841 Ca 0.35 1.12 -0.16 0.00 -2.04 0.00 0.00 64.34 63.61 1h38 n VAL 841 Cb 0.33 -1.86 -0.11 0.00 -1.47 0.00 0.00 33.84 30.73 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 0.40 -0.27 1.34 4.07 -1.92 -1.68 115.31 117.26 1h38 h LEU 842 Ca 0.63 -0.75 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 1h38 h LEU 842 Cb 2.34 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 43.95 1h38 h LEU 842 CO -0.14 1.10 0.13 0.00 -1.08 0.00 0.00 178.44 178.45 1h38 h ALA 843 N 0.32 0.35 -0.92 1.53 0.00 0.44 -0.92 119.26 120.05 1h38 h ALA 843 Ca -0.05 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 54.93 1h38 h ALA 843 Cb 1.15 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 1h38 h ALA 843 CO 0.09 -0.10 0.59 -0.44 0.00 0.00 0.00 179.25 179.39 1h38 h ASP 844 N 0.31 0.68 -0.80 0.00 3.32 -1.35 0.29 116.42 118.87 1h38 h ASP 844 Ca 0.09 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 1h38 h ASP 844 Cb 0.11 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 1h38 h ASP 844 CO -0.01 0.32 0.35 0.15 -1.72 0.00 0.00 179.24 178.34 1h38 h PHE 845 N 0.71 1.19 0.16 4.55 3.57 -0.39 -2.77 116.94 123.95 1h38 h PHE 845 Ca 0.47 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.89 1h38 h PHE 845 Cb 0.77 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1h38 h PHE 845 CO -0.00 0.88 -0.08 -0.92 -2.23 0.00 0.00 178.31 175.96 1h38 h TYR 846 N 1.16 -0.20 -0.74 0.41 -0.00 0.86 -2.68 116.97 115.78 1h38 h TYR 846 Ca 0.27 -0.00 0.14 0.00 -0.00 0.00 0.00 58.73 59.14 1h38 h TYR 846 Cb 0.17 0.07 -0.09 0.00 -0.00 0.00 0.00 36.73 36.87 1h38 h TYR 846 CO 0.02 -0.05 0.29 -0.44 -0.00 0.00 0.00 178.16 177.98 1h38 h ASP 847 N -0.30 0.26 -0.53 -2.11 3.32 -1.10 0.52 116.42 116.48 1h38 h ASP 847 Ca -0.02 0.11 0.10 0.00 0.02 0.00 0.00 57.03 57.23 1h38 h ASP 847 Cb 0.24 0.09 -0.08 0.00 0.22 0.00 0.00 39.33 39.80 1h38 h ASP 847 CO 0.04 0.10 0.09 1.56 -1.72 0.00 0.00 179.24 179.31 1h38 h GLN 848 N 0.43 0.22 0.00 3.56 1.08 -1.21 -3.19 115.11 116.00 1h38 h GLN 848 Ca 0.41 -0.01 -0.26 0.00 -1.45 0.00 0.00 58.65 57.34 1h38 h GLN 848 Cb 0.61 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.95 1h38 h GLN 848 CO -0.40 0.14 -2.11 1.97 -0.95 0.00 0.00 178.83 177.49 1h38 n PHE 849 N -5.14 0.23 -0.13 2.96 -1.74 -0.66 -4.64 117.46 108.35 1h38 n PHE 849 Ca 0.07 0.08 -0.03 0.00 -0.56 0.00 0.00 57.45 57.00 1h38 n PHE 849 Cb 0.28 -0.93 -0.03 0.00 1.52 0.00 0.00 39.48 40.32 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 -2.58 -0.19 -0.21 1.98 0.00 0.17 0.72 120.51 120.40 1h38 n ALA 850 Ca -0.22 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1h38 n ALA 850 Cb 0.98 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.49 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 -3.79 3.60 0.00 0.00 5.75 -1.26 -1.99 116.55 118.86 1h38 n ASP 851 Ca 0.01 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 1h38 n ASP 851 Cb 0.08 -0.75 0.00 0.00 -1.03 0.00 0.00 41.12 39.42 1h38 n ASP 851 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1h38 n GLN 852 N 1.50 0.00 -2.81 0.11 7.27 0.22 -5.03 117.38 118.64 1h38 n GLN 852 Ca 0.00 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.64 1h38 n GLN 852 Cb 0.36 -0.45 -0.04 0.00 2.41 0.00 0.00 30.24 32.52 1h38 n GLN 852 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1h38 s LEU 853 N 0.00 3.99 0.85 1.69 1.43 -0.84 -4.95 118.68 120.84 1h38 s LEU 853 Ca 0.00 0.22 -0.16 0.00 -1.03 0.00 0.00 54.13 53.16 1h38 s LEU 853 Cb 0.00 -3.21 -0.06 0.00 0.03 0.00 0.00 46.19 42.94 1h38 s LEU 853 CO 0.00 -1.01 0.03 1.57 0.23 0.00 0.00 176.35 177.17 1h38 n HIS 854 N 7.10 -2.52 -0.32 0.29 -0.00 -1.26 -4.79 115.22 113.73 1h38 n HIS 854 Ca 0.06 0.21 0.17 0.00 -0.00 0.00 0.00 57.72 58.17 1h38 n HIS 854 Cb 0.48 -1.71 0.36 0.00 -0.00 0.00 0.00 29.99 29.13 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 -0.87 0.29 0.00 1.57 4.81 -1.98 -2.17 114.58 116.23 1h38 h GLU 855 Ca -0.44 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1h38 h GLU 855 Cb 1.33 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1h38 h GLU 855 CO 0.34 0.19 0.00 0.66 -0.73 0.00 0.00 179.01 179.48 1h38 h SER 856 N 0.30 0.00 -0.48 1.04 4.64 -2.04 -3.26 113.55 113.75 1h38 h SER 856 Ca 0.62 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.89 1h38 h SER 856 Cb 1.31 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.36 1h38 h SER 856 CO -0.61 0.00 0.06 0.00 -0.87 0.00 0.00 176.83 175.41 1h38 n GLN 857 N -2.45 3.76 0.00 4.77 10.64 -0.82 -4.55 117.38 128.73 1h38 n GLN 857 Ca 0.05 -3.04 0.00 0.00 -1.83 0.00 0.00 57.00 52.18 1h38 n GLN 857 Cb 0.41 -2.08 0.00 0.00 -0.86 0.00 0.00 30.24 27.71 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 -0.06 0.66 0.00 2.61 4.77 -1.23 -3.68 117.00 120.06 1h38 n LEU 858 Ca 0.29 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1h38 n LEU 858 Cb 1.12 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 1h38 n LEU 858 CO 0.28 0.16 -0.23 -0.90 -1.33 0.00 0.00 177.39 175.37 1h38 n ASP 859 N -0.16 2.23 0.00 -1.43 5.75 -1.26 -4.69 116.55 116.99 1h38 n ASP 859 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 54.79 54.87 1h38 n ASP 859 Cb 0.16 0.18 0.52 0.00 -1.03 0.00 0.00 41.12 40.96 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 -1.36 0.54 -2.89 0.11 0.00 -1.24 -4.51 118.16 108.82 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 0.23 -1.50 -0.04 0.00 0.00 0.00 0.00 35.03 33.72 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 -2.01 3.11 0.52 1.64 1.75 -1.26 -5.02 119.30 118.02 1h38 s MET 861 Ca 0.26 -0.90 -0.20 0.00 -1.25 0.00 0.00 55.69 53.61 1h38 s MET 861 Cb 0.12 -4.24 -0.10 0.00 2.84 0.00 0.00 34.83 33.45 1h38 s MET 861 CO 0.20 -1.79 0.57 -2.30 -0.65 0.00 0.00 175.02 171.06 1h38 n PRO 862 N 7.55 0.60 -1.36 4.11 -0.02 -1.26 -4.94 135.00 139.67 1h38 n PRO 862 Ca -0.04 0.23 -0.31 0.00 -2.02 0.00 0.00 63.50 61.36 1h38 n PRO 862 Cb 0.45 -1.68 0.09 0.00 -0.02 0.00 0.00 33.50 32.34 1h38 n PRO 862 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h38 s ALA 863 N -1.62 2.27 0.08 3.55 0.00 -1.26 -4.93 121.76 119.85 1h38 s ALA 863 Ca 0.67 0.13 -0.31 0.00 0.00 0.00 0.00 51.96 52.45 1h38 s ALA 863 Cb -0.49 -3.22 -0.08 0.00 0.00 0.00 0.00 23.12 19.32 1h38 s ALA 863 CO 0.55 -1.70 1.62 -0.51 0.00 0.00 0.00 175.76 175.72 1h38 s LEU 864 N -5.85 4.36 0.40 0.00 1.43 -1.26 -4.91 118.68 112.85 1h38 s LEU 864 Ca 0.61 2.47 -0.24 0.00 -1.03 0.00 0.00 54.13 55.93 1h38 s LEU 864 Cb -0.16 -3.57 -0.12 0.00 0.03 0.00 0.00 46.19 42.37 1h38 s LEU 864 CO 0.56 -0.86 0.82 -0.81 0.23 0.00 0.00 176.35 176.29 1h38 n PRO 865 N 5.34 1.00 -1.78 1.29 -0.04 -1.26 -4.91 135.00 134.65 1h38 n PRO 865 Ca 0.15 0.36 -0.33 0.00 -0.04 0.00 0.00 63.50 63.64 1h38 n PRO 865 Cb 0.41 -1.79 0.05 0.00 -0.04 0.00 0.00 33.50 32.12 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 -1.32 2.47 1.02 0.55 0.00 -1.26 -5.04 121.76 118.18 1h38 s ALA 866 Ca 0.63 0.59 -0.17 0.00 0.00 0.00 0.00 51.96 53.01 1h38 s ALA 866 Cb -0.60 -3.33 0.22 0.00 0.00 0.00 0.00 23.12 19.41 1h38 s ALA 866 CO 0.57 -1.27 1.27 0.15 0.00 0.00 0.00 175.76 176.48 1h38 s LYS 867 N -4.02 0.20 0.00 0.00 3.01 -1.26 -4.94 119.74 112.72 1h38 s LYS 867 Ca 0.68 -0.33 0.00 0.00 -1.01 0.00 0.00 55.97 55.31 1h38 s LYS 867 Cb -0.21 -1.79 0.00 0.00 -1.01 0.00 0.00 37.83 34.82 1h38 s LYS 867 CO 0.41 -2.72 0.00 0.41 0.51 0.00 0.00 175.35 173.95 1h38 n GLY 868 N -3.09 7.42 0.97 -3.33 0.00 -0.33 -4.94 105.19 101.89 1h38 n GLY 868 Ca 0.15 -1.97 0.08 0.00 0.00 0.00 0.00 46.02 44.28 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 0.00 3.77 -4.77 1.61 4.13 -0.65 -4.82 115.26 114.54 1h38 n ASN 869 Ca 0.00 -2.52 -0.39 0.00 1.68 0.00 0.00 54.58 53.35 1h38 n ASN 869 Cb 0.00 -0.44 -0.02 0.00 -1.54 0.00 0.00 39.78 37.78 1h38 n ASN 869 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1h38 s LEU 870 N -1.95 4.26 -0.40 3.41 2.96 -0.58 -4.88 118.68 121.50 1h38 s LEU 870 Ca 0.37 2.52 -0.03 0.00 -0.22 0.00 0.00 54.13 56.77 1h38 s LEU 870 Cb 0.26 -3.89 0.11 0.00 0.50 0.00 0.00 46.19 43.17 1h38 s LEU 870 CO 0.15 -0.69 0.20 0.21 -1.32 0.00 0.00 176.35 174.90 1h38 s ASN 871 N -0.85 5.26 0.45 3.68 2.47 -1.26 -4.88 114.94 119.80 1h38 s ASN 871 Ca 0.55 -1.96 0.35 0.00 0.42 0.00 0.00 52.86 52.21 1h38 s ASN 871 Cb -0.35 -1.83 1.48 0.00 -1.45 0.00 0.00 41.25 39.09 1h38 s ASN 871 CO 0.45 -0.53 1.48 0.18 -3.72 0.00 0.00 177.10 174.96 1h38 n LEU 872 N 4.62 0.15 0.29 3.21 4.77 -1.26 0.14 117.00 128.92 1h38 n LEU 872 Ca -0.03 1.22 0.18 0.00 -0.03 0.00 0.00 56.01 57.35 1h38 n LEU 872 Cb 0.41 -0.60 0.98 0.00 -2.33 0.00 0.00 43.42 41.88 1h38 n LEU 872 CO 0.33 -1.31 1.15 0.03 -1.33 0.00 0.00 177.39 176.26 1h38 h ARG 873 N 0.00 0.00 0.00 3.23 2.47 -1.93 -0.84 114.38 117.31 1h38 h ARG 873 Ca 0.85 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 59.54 1h38 h ARG 873 Cb 2.93 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 31.24 1h38 h ARG 873 CO -0.34 0.00 -0.16 -0.44 0.56 0.00 0.00 179.97 179.60 1h38 h ASP 874 N 0.00 0.00 -0.90 7.04 3.32 0.92 -2.49 116.42 124.30 1h38 h ASP 874 Ca 0.02 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.21 1h38 h ASP 874 Cb 0.13 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.61 1h38 h ASP 874 CO -0.00 0.16 0.58 0.40 -1.72 0.00 0.00 179.24 178.65 1h38 h ILE 875 N 0.00 0.83 0.00 0.35 2.04 -1.22 0.45 117.51 119.96 1h38 h ILE 875 Ca -0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1h38 h ILE 875 Cb 0.38 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1h38 h ILE 875 CO 0.02 0.13 0.03 -0.07 0.00 0.00 0.00 178.15 178.25 1h38 h LEU 876 N 0.71 0.00 -3.00 1.44 3.38 -1.61 -0.42 115.31 115.81 1h38 h LEU 876 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1h38 h LEU 876 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1h38 h LEU 876 CO -0.21 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.70 1h38 n GLU 877 N -2.63 2.64 -3.16 1.13 1.02 0.12 -4.99 120.64 114.77 1h38 n GLU 877 Ca -0.02 -1.96 -0.40 0.00 -0.02 0.00 0.00 57.16 54.75 1h38 n GLU 877 Cb 0.07 -1.24 -0.07 0.00 -0.02 0.00 0.00 31.44 30.19 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 -1.44 6.54 -0.02 1.62 0.15 -0.17 -4.41 113.70 115.97 1h38 s SER 878 Ca 0.16 0.66 -0.23 0.00 0.70 0.00 0.00 55.95 57.23 1h38 s SER 878 Cb 0.11 -2.32 -0.21 0.00 -1.71 0.00 0.00 66.02 61.89 1h38 s SER 878 CO 0.05 -0.32 1.11 0.44 1.20 0.00 0.00 173.24 175.73 1h38 h ASP 879 N 7.85 0.28 -0.29 5.45 3.32 -1.87 -3.33 116.42 127.82 1h38 h ASP 879 Ca -0.29 -0.70 -0.09 0.00 0.02 0.00 0.00 57.03 55.98 1h38 h ASP 879 Cb 1.13 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.55 1h38 h ASP 879 CO 0.75 0.93 0.11 0.49 -1.72 0.00 0.00 179.24 179.80 1h38 n PHE 880 N -4.50 0.95 -2.02 4.55 3.72 -1.26 -3.97 117.46 114.92 1h38 n PHE 880 Ca -0.09 -0.60 -0.28 0.00 -0.05 0.00 0.00 57.45 56.43 1h38 n PHE 880 Cb 0.48 -0.37 0.03 0.00 -0.94 0.00 0.00 39.48 38.67 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 0.08 5.36 -1.33 4.37 0.00 -1.23 -4.70 120.51 123.06 1h38 n ALA 881 Ca 0.16 -3.91 -0.50 0.00 0.00 0.00 0.00 53.44 49.19 1h38 n ALA 881 Cb 0.76 -0.74 -0.13 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.67 0.87 -0.12 0.00 3.72 -1.25 -4.81 117.46 115.20 1h38 n PHE 882 Ca 0.47 0.58 0.00 0.00 -0.05 0.00 0.00 57.45 58.45 1h38 n PHE 882 Cb 0.78 -2.28 0.00 0.00 -0.94 0.00 0.00 39.48 37.04 1h38 n PHE 882 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71