#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a49 s GLN 13 N 0.00 2.58 0.58 0.38 -0.21 -1.26 -4.97 119.66 116.76 1a49 s GLN 13 Ca 0.00 1.45 0.00 0.00 0.02 0.00 0.00 55.36 56.83 1a49 s GLN 13 Cb 0.00 -1.92 0.04 0.00 1.00 0.00 0.00 33.01 32.13 1a49 s GLN 13 CO 0.00 -1.43 0.82 -0.08 -2.12 0.00 0.00 175.29 172.47 1a49 s THR 14 N -2.32 2.59 -1.73 -0.19 -1.32 -1.26 -4.30 115.64 107.11 1a49 s THR 14 Ca 0.68 -0.60 -0.16 0.00 -1.21 0.00 0.00 61.69 60.40 1a49 s THR 14 Cb -0.22 -2.98 0.15 0.00 -1.51 0.00 0.00 72.50 67.94 1a49 s THR 14 CO 0.44 0.00 0.56 1.67 -2.21 0.00 0.00 174.62 175.08 1a49 n GLN 15 N -2.45 -1.87 -3.40 7.08 7.27 0.14 -0.59 117.38 123.56 1a49 n GLN 15 Ca 0.08 0.24 -0.22 0.00 0.07 0.00 0.00 57.00 57.18 1a49 n GLN 15 Cb 0.60 -4.66 -0.02 0.00 2.41 0.00 0.00 30.24 28.56 1a49 n GLN 15 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1a49 n GLN 16 N -4.29 -2.55 0.25 3.69 1.13 -1.26 -4.81 117.38 109.55 1a49 n GLN 16 Ca -0.01 0.27 0.13 0.00 -1.94 0.00 0.00 57.00 55.45 1a49 n GLN 16 Cb 0.53 -4.88 0.67 0.00 0.11 0.00 0.00 30.24 26.66 1a49 n GLN 16 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1a49 h LEU 17 N -0.65 0.00 0.11 1.08 3.38 -1.12 -0.52 115.31 117.59 1a49 h LEU 17 Ca -0.35 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1a49 h LEU 17 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1a49 h LEU 17 CO 0.48 0.14 -0.05 -0.74 0.09 0.00 0.00 178.44 178.36 1a49 h HIS 18 N 0.00 -0.13 -0.81 1.13 2.76 -1.88 -2.69 115.15 113.53 1a49 h HIS 18 Ca -0.00 -0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.31 1a49 h HIS 18 Cb 0.45 0.04 -0.10 0.00 1.55 0.00 0.00 27.41 29.36 1a49 h HIS 18 CO 0.00 0.20 0.37 0.00 -1.30 0.00 0.00 177.93 177.20 1a49 h ALA 19 N 0.36 1.18 -0.03 5.26 0.00 -1.70 0.19 119.26 124.53 1a49 h ALA 19 Ca -0.01 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1a49 h ALA 19 Cb 0.39 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1a49 h ALA 19 CO 0.02 -0.15 0.25 0.00 0.00 0.00 0.00 179.25 179.37 1a49 h ALA 20 N 1.56 1.31 -0.00 0.00 0.00 -0.76 -0.45 119.26 120.92 1a49 h ALA 20 Ca 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1a49 h ALA 20 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1a49 h ALA 20 CO -0.38 -0.26 -0.15 -1.33 0.00 0.00 0.00 179.25 177.12 1a49 n MET 21 N -3.01 0.22 -1.73 0.00 2.81 0.65 -4.78 117.12 111.28 1a49 n MET 21 Ca -0.02 -0.06 -0.37 0.00 -1.81 0.00 0.00 57.70 55.44 1a49 n MET 21 Cb 0.31 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.39 1a49 n MET 21 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a49 n ALA 22 N -1.34 1.15 -0.02 3.04 0.00 -0.18 -4.97 120.51 118.19 1a49 n ALA 22 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.38 1a49 n ALA 22 Cb 0.31 -2.32 -0.14 0.00 0.00 0.00 0.00 19.45 17.30 1a49 n ALA 22 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a49 n ASP 23 N -1.84 1.55 -4.48 0.00 8.00 -1.26 -4.93 116.55 113.58 1a49 n ASP 23 Ca 0.16 0.24 -0.27 0.00 0.71 0.00 0.00 54.79 55.63 1a49 n ASP 23 Cb 0.48 -0.43 -0.11 0.00 -0.02 0.00 0.00 41.12 41.04 1a49 n ASP 23 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1a49 s THR 24 N -2.56 2.67 0.23 -3.53 -4.23 -1.26 -5.03 115.64 101.92 1a49 s THR 24 Ca -0.16 -1.93 -0.07 0.00 -1.18 0.00 0.00 61.69 58.35 1a49 s THR 24 Cb 0.07 -2.31 0.18 0.00 1.34 0.00 0.00 72.50 71.79 1a49 s THR 24 CO 0.78 -0.14 1.77 0.15 -0.54 0.00 0.00 174.62 176.64 1a49 h PHE 25 N 3.01 0.63 -0.92 3.99 3.04 -1.99 0.06 116.94 124.77 1a49 h PHE 25 Ca -0.46 0.03 0.05 0.00 3.98 0.00 0.00 57.97 61.57 1a49 h PHE 25 Cb 1.21 -0.17 -0.06 0.00 2.56 0.00 0.00 35.95 39.49 1a49 h PHE 25 CO 0.68 0.21 0.59 1.25 -2.02 0.00 0.00 178.31 179.03 1a49 h LEU 26 N 0.59 0.96 -0.38 0.59 5.85 -1.99 0.10 115.31 121.03 1a49 h LEU 26 Ca 0.36 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.93 1a49 h LEU 26 Cb 0.39 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1a49 h LEU 26 CO -0.28 0.64 -0.36 -0.08 -0.34 0.00 0.00 178.44 178.02 1a49 h GLU 27 N 1.11 0.91 -0.06 1.25 4.57 -1.70 -1.22 114.58 119.44 1a49 h GLU 27 Ca 0.38 -0.47 0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1a49 h GLU 27 Cb 0.08 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.63 1a49 h GLU 27 CO -0.14 1.13 -0.29 1.25 -1.18 0.00 0.00 179.01 179.77 1a49 h HIS 28 N 0.72 -0.79 -0.38 0.92 2.76 -0.16 -0.38 115.15 117.84 1a49 h HIS 28 Ca 0.06 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.32 1a49 h HIS 28 Cb 0.95 0.36 -0.05 0.00 1.55 0.00 0.00 27.41 30.22 1a49 h HIS 28 CO 0.06 -0.38 0.07 0.52 -1.30 0.00 0.00 177.93 176.91 1a49 h MET 29 N -0.40 0.19 -0.22 5.26 2.86 -0.66 -2.53 114.93 119.43 1a49 h MET 29 Ca 0.08 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1a49 h MET 29 Cb 0.52 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1a49 h MET 29 CO -0.29 0.13 0.15 0.00 1.06 0.00 0.00 176.91 177.96 1a49 n ARG 31 N -4.50 1.89 -1.75 0.00 1.74 -0.25 -4.93 116.66 108.86 1a49 n ARG 31 Ca 0.01 -1.34 -0.42 0.00 -0.77 0.00 0.00 57.85 55.33 1a49 n ARG 31 Cb 0.13 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 1a49 n ARG 31 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a49 s LEU 32 N -1.54 4.37 -0.21 0.55 1.43 -0.81 -4.30 118.68 118.17 1a49 s LEU 32 Ca 0.33 2.85 0.01 0.00 -1.03 0.00 0.00 54.13 56.29 1a49 s LEU 32 Cb 0.18 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.83 1a49 s LEU 32 CO 0.27 -0.96 -0.16 -0.62 0.23 0.00 0.00 176.35 175.11 1a49 s ASP 33 N 1.17 3.64 0.61 2.29 -1.08 -1.26 -4.97 116.67 117.07 1a49 s ASP 33 Ca 0.74 -0.89 0.33 0.00 -0.52 0.00 0.00 52.55 52.21 1a49 s ASP 33 Cb -0.49 -1.52 1.89 0.00 -1.46 0.00 0.00 42.92 41.34 1a49 s ASP 33 CO 0.32 -0.07 2.20 0.16 0.52 0.00 0.00 175.17 178.30 1a49 h ILE 34 N 6.20 0.35 -0.01 4.11 3.07 -2.01 0.10 117.51 129.32 1a49 h ILE 34 Ca -0.37 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.04 1a49 h ILE 34 Cb 1.11 0.91 0.00 0.00 -0.27 0.00 0.00 36.82 38.57 1a49 h ILE 34 CO 0.58 0.00 -0.18 0.47 -1.05 0.00 0.00 178.15 177.97 1a49 n ASP 35 N -3.58 0.88 -4.59 2.16 8.00 -1.26 -4.77 116.55 113.39 1a49 n ASP 35 Ca -0.01 -0.84 -0.42 0.00 0.71 0.00 0.00 54.79 54.22 1a49 n ASP 35 Cb 0.19 0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.30 1a49 n ASP 35 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1a49 s SER 36 N -2.44 6.62 0.03 -2.24 0.15 0.35 -4.98 113.70 111.19 1a49 s SER 36 Ca 0.27 0.46 -0.22 0.00 0.70 0.00 0.00 55.95 57.16 1a49 s SER 36 Cb 0.20 -2.43 -0.06 0.00 -1.71 0.00 0.00 66.02 62.02 1a49 s SER 36 CO 0.49 -0.80 0.66 0.00 1.20 0.00 0.00 173.24 174.79 1a49 s ALA 37 N 3.30 3.46 0.83 5.45 0.00 -1.26 -4.45 121.76 129.08 1a49 s ALA 37 Ca 0.35 0.13 -0.10 0.00 0.00 0.00 0.00 51.96 52.34 1a49 s ALA 37 Cb -0.12 -2.83 0.09 0.00 0.00 0.00 0.00 23.12 20.26 1a49 s ALA 37 CO 0.18 0.16 1.11 -1.25 0.00 0.00 0.00 175.76 175.96 1a49 s PRO 38 N -0.29 1.78 0.95 0.00 0.04 -1.26 0.27 135.00 136.48 1a49 s PRO 38 Ca 0.34 1.26 -0.14 0.00 0.04 0.00 0.00 61.00 62.49 1a49 s PRO 38 Cb -0.19 -1.84 0.16 0.00 0.04 0.00 0.00 34.50 32.67 1a49 s PRO 38 CO 0.20 -2.00 1.18 0.96 0.04 0.00 0.00 177.00 177.37 1a49 s ILE 39 N -2.83 1.95 0.07 0.56 -4.36 -1.26 -4.84 121.20 110.49 1a49 s ILE 39 Ca 0.63 0.00 0.01 0.00 -0.26 0.00 0.00 60.65 61.03 1a49 s ILE 39 Cb -0.19 -2.81 -0.25 0.00 1.25 0.00 0.00 42.46 40.46 1a49 s ILE 39 CO 0.57 0.00 1.12 0.71 0.24 0.00 0.00 174.94 177.57 1a49 h THR 40 N -1.61 1.48 -2.71 8.37 1.35 -1.94 -3.45 112.91 114.41 1a49 h THR 40 Ca -0.48 -3.13 -0.56 0.00 -0.55 0.00 0.00 66.41 61.69 1a49 h THR 40 Cb 1.31 2.85 -0.02 0.00 -1.73 0.00 0.00 68.15 70.55 1a49 h THR 40 CO 0.54 0.89 1.11 0.00 -0.25 0.00 0.00 175.52 177.81 1a49 s ALA 41 N -2.67 3.37 -0.27 6.62 0.00 -1.26 -5.00 121.76 122.55 1a49 s ALA 41 Ca -0.03 0.60 -0.23 0.00 0.00 0.00 0.00 51.96 52.29 1a49 s ALA 41 Cb 0.08 -3.82 -0.01 0.00 0.00 0.00 0.00 23.12 19.38 1a49 s ALA 41 CO 0.85 -1.78 0.78 0.50 0.00 0.00 0.00 175.76 176.11 1a49 s ARG 42 N 4.49 4.09 0.12 0.00 3.52 -1.26 -4.95 118.95 124.95 1a49 s ARG 42 Ca 0.72 0.75 0.14 0.00 -0.13 0.00 0.00 55.73 57.21 1a49 s ARG 42 Cb -0.27 -3.67 -0.11 0.00 -1.56 0.00 0.00 34.95 29.34 1a49 s ARG 42 CO 0.29 -0.56 1.05 -0.91 -0.81 0.00 0.00 175.30 174.36 1a49 h ASN 43 N 7.87 0.00 -3.59 -2.12 -0.26 -1.94 -3.46 115.58 112.08 1a49 h ASN 43 Ca -0.24 0.00 -0.58 0.00 -0.56 0.00 0.00 56.30 54.92 1a49 h ASN 43 Cb 1.10 0.00 -0.09 0.00 -1.06 0.00 0.00 38.32 38.27 1a49 h ASN 43 CO 0.86 0.70 0.73 -0.89 -1.06 0.00 0.00 177.43 177.76 1a49 s THR 44 N -2.85 4.42 0.34 2.81 2.01 -1.26 0.15 115.64 121.27 1a49 s THR 44 Ca -0.01 1.14 -0.27 0.00 0.31 0.00 0.00 61.69 62.87 1a49 s THR 44 Cb 0.08 -4.46 -0.13 0.00 0.01 0.00 0.00 72.50 68.01 1a49 s THR 44 CO 0.80 -0.77 1.05 0.61 -0.69 0.00 0.00 174.62 175.62 1a49 n GLY 45 N 4.63 -0.11 3.28 4.40 0.00 -1.02 -4.79 105.19 111.58 1a49 n GLY 45 Ca 0.09 0.26 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 1a49 n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a49 s ILE 46 N -1.14 3.19 -0.30 -0.61 1.01 -1.26 -1.27 121.20 120.82 1a49 s ILE 46 Ca 0.59 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 60.58 1a49 s ILE 46 Cb -0.63 -2.45 -0.00 0.00 0.01 0.00 0.00 42.46 39.38 1a49 s ILE 46 CO 0.59 0.42 0.11 -0.63 0.00 0.00 0.00 174.94 175.44 1a49 s ILE 47 N 1.45 4.31 -0.12 2.92 1.01 -0.20 -1.63 121.20 128.94 1a49 s ILE 47 Ca 0.05 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 1a49 s ILE 47 Cb -0.14 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 1a49 s ILE 47 CO -0.04 0.11 -0.08 0.00 0.00 0.00 0.00 174.94 174.93 1a49 s THR 49 N 0.08 4.66 -0.13 0.00 2.01 -0.27 0.98 115.64 122.98 1a49 s THR 49 Ca -0.03 0.68 -0.21 0.00 0.31 0.00 0.00 61.69 62.44 1a49 s THR 49 Cb -0.14 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.04 1a49 s THR 49 CO 0.04 -0.61 0.63 -0.63 -0.69 0.00 0.00 174.62 173.35 1a49 s ILE 50 N 3.28 5.07 0.00 1.82 -1.09 -0.85 -2.14 121.20 127.28 1a49 s ILE 50 Ca 0.32 1.24 0.00 0.00 -2.23 0.00 0.00 60.65 59.98 1a49 s ILE 50 Cb -0.12 -3.96 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 1a49 s ILE 50 CO 0.21 0.21 0.00 0.61 -1.23 0.00 0.00 174.94 174.74 1a49 n GLY 51 N 3.39 4.23 0.36 6.18 0.00 -1.26 -4.77 105.19 113.33 1a49 n GLY 51 Ca -0.02 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 1a49 n GLY 51 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a49 h PRO 52 N 0.00 -0.38 -0.17 1.61 0.11 -1.77 0.60 132.00 132.01 1a49 h PRO 52 Ca 0.00 0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.18 1a49 h PRO 52 Cb 0.00 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 1a49 h PRO 52 CO 0.00 -0.25 0.20 0.00 -0.21 0.00 0.00 178.00 177.74 1a49 h ALA 53 N 0.39 1.74 0.00 -0.75 0.00 -1.40 -3.02 119.26 116.21 1a49 h ALA 53 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1a49 h ALA 53 Cb 0.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1a49 h ALA 53 CO -0.42 -0.29 0.00 -1.13 0.00 0.00 0.00 179.25 177.41 1a49 n SER 54 N -3.71 0.90 0.18 0.00 3.41 -0.65 -4.80 113.62 108.96 1a49 n SER 54 Ca 0.01 -1.32 0.02 0.00 -0.26 0.00 0.00 58.87 57.32 1a49 n SER 54 Cb 0.32 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.62 1a49 n SER 54 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1a49 h ARG 55 N 0.00 0.00 -7.00 4.33 3.08 0.31 -3.39 114.38 111.70 1a49 h ARG 55 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 1a49 h ARG 55 Cb 0.49 0.00 0.13 0.00 0.08 0.00 0.00 29.97 30.67 1a49 h ARG 55 CO 0.00 0.38 0.68 -1.13 -1.07 0.00 0.00 179.97 178.83 1a49 n SER 56 N -4.09 3.16 0.26 7.04 3.41 -1.26 -4.80 113.62 117.35 1a49 n SER 56 Ca -0.02 1.08 0.11 0.00 -0.26 0.00 0.00 58.87 59.78 1a49 n SER 56 Cb 0.41 -1.60 0.72 0.00 -0.26 0.00 0.00 64.21 63.48 1a49 n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1a49 h VAL 57 N 2.04 0.79 0.05 -3.33 2.07 -1.89 -0.71 116.25 115.29 1a49 h VAL 57 Ca -0.51 -0.24 -0.25 0.00 0.82 0.00 0.00 66.70 66.52 1a49 h VAL 57 Cb 1.28 1.14 0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1a49 h VAL 57 CO 0.60 0.06 -1.07 -0.08 0.02 0.00 0.00 177.57 177.10 1a49 h GLU 58 N 0.00 0.42 -0.26 1.57 4.81 -1.93 -2.65 114.58 116.55 1a49 h GLU 58 Ca -0.00 -0.53 -0.12 0.00 -0.13 0.00 0.00 59.36 58.58 1a49 h GLU 58 Cb 0.13 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1a49 h GLU 58 CO 0.01 1.19 -0.31 1.15 -0.73 0.00 0.00 179.01 180.32 1a49 h THR 59 N 0.21 1.31 -0.19 0.32 2.02 -1.74 -2.98 112.91 111.87 1a49 h THR 59 Ca -0.11 -1.49 0.05 0.00 0.77 0.00 0.00 66.41 65.62 1a49 h THR 59 Cb 1.74 1.67 -0.07 0.00 -1.74 0.00 0.00 68.15 69.75 1a49 h THR 59 CO 0.19 0.47 -0.43 -0.07 0.37 0.00 0.00 175.52 176.05 1a49 h LEU 60 N 0.38 -1.37 -0.44 2.58 4.07 -1.13 0.44 115.31 119.85 1a49 h LEU 60 Ca 0.03 0.18 0.07 0.00 0.08 0.00 0.00 57.88 58.25 1a49 h LEU 60 Cb 0.88 0.56 -0.09 0.00 1.08 0.00 0.00 40.66 43.09 1a49 h LEU 60 CO 0.07 -0.42 -0.42 0.11 -1.08 0.00 0.00 178.44 176.71 1a49 h LYS 61 N -0.47 -0.29 -0.45 1.13 1.57 -1.49 1.72 116.57 118.30 1a49 h LYS 61 Ca 0.08 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 59.02 1a49 h LYS 61 Cb 0.62 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 1a49 h LYS 61 CO -0.44 -0.19 0.34 0.93 -0.57 0.00 0.00 179.45 179.52 1a49 h GLU 62 N -0.30 0.00 -0.25 3.15 4.39 -1.05 -1.30 114.58 119.22 1a49 h GLU 62 Ca 0.15 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 1a49 h GLU 62 Cb 0.57 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1a49 h GLU 62 CO -0.59 0.00 -0.01 0.52 -1.16 0.00 0.00 179.01 177.77 1a49 h MET 63 N 0.00 0.45 -0.59 2.33 2.86 0.71 -1.62 114.93 119.07 1a49 h MET 63 Ca 0.22 -0.15 -0.08 0.00 -2.06 0.00 0.00 59.70 57.63 1a49 h MET 63 Cb 0.89 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.49 1a49 h MET 63 CO -0.00 0.63 0.07 0.82 1.06 0.00 0.00 176.91 179.48 1a49 h ILE 64 N 0.22 1.26 -0.31 -1.22 2.04 0.17 -2.17 117.51 117.51 1a49 h ILE 64 Ca 0.07 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.89 1a49 h ILE 64 Cb 0.43 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1a49 h ILE 64 CO 0.01 0.38 0.20 0.11 0.00 0.00 0.00 178.15 178.86 1a49 h LYS 65 N 0.90 0.42 0.00 2.37 1.57 -1.27 -1.44 116.57 119.12 1a49 h LYS 65 Ca 0.18 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1a49 h LYS 65 Cb 0.47 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1a49 h LYS 65 CO 0.02 0.29 0.00 0.43 -0.57 0.00 0.00 179.45 179.62 1a49 n SER 66 N -4.86 0.36 0.00 0.86 7.64 -0.62 -4.88 113.62 112.13 1a49 n SER 66 Ca -0.01 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1a49 n SER 66 Cb 0.04 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 1a49 n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a49 n GLY 67 N 0.20 0.95 3.65 0.23 0.00 -0.54 -4.31 105.19 105.36 1a49 n GLY 67 Ca 0.03 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.57 1a49 n GLY 67 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1a49 n MET 68 N 0.00 1.82 -0.03 1.61 0.00 -0.85 -4.61 117.12 115.06 1a49 n MET 68 Ca 0.00 0.66 -0.01 0.00 -0.00 0.00 0.00 57.70 58.34 1a49 n MET 68 Cb 0.00 -2.39 -0.07 0.00 0.00 0.00 0.00 33.22 30.76 1a49 n MET 68 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1a49 n ASN 69 N 3.34 2.73 -3.87 6.12 4.13 -0.65 -4.64 115.26 122.42 1a49 n ASN 69 Ca 0.18 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.31 1a49 n ASN 69 Cb 0.25 0.97 -0.14 0.00 -1.54 0.00 0.00 39.78 39.32 1a49 n ASN 69 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1a49 s VAL 70 N -2.38 0.04 -0.30 2.41 1.01 -1.13 0.77 120.40 120.83 1a49 s VAL 70 Ca -0.04 -0.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.84 1a49 s VAL 70 Cb 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 36.38 36.34 1a49 s VAL 70 CO 0.39 0.02 0.15 0.00 0.00 0.00 0.00 175.10 175.66 1a49 s ALA 71 N 0.10 3.31 -0.26 5.51 0.00 0.22 -0.33 121.76 130.32 1a49 s ALA 71 Ca -0.01 -1.29 -0.11 0.00 0.00 0.00 0.00 51.96 50.56 1a49 s ALA 71 Cb -0.02 -2.36 -0.05 0.00 0.00 0.00 0.00 23.12 20.70 1a49 s ALA 71 CO -0.00 -0.76 0.17 0.50 0.00 0.00 0.00 175.76 175.66 1a49 s ARG 72 N 1.65 4.00 -0.39 0.00 3.52 0.28 0.29 118.95 128.29 1a49 s ARG 72 Ca 0.05 -0.30 -0.11 0.00 -0.13 0.00 0.00 55.73 55.24 1a49 s ARG 72 Cb -0.16 -3.58 0.04 0.00 -1.56 0.00 0.00 34.95 29.68 1a49 s ARG 72 CO 0.07 -0.05 0.23 -1.64 -0.81 0.00 0.00 175.30 173.10 1a49 s MET 73 N 1.37 2.80 -0.58 5.12 -1.94 0.21 -2.02 119.30 124.27 1a49 s MET 73 Ca 0.07 -1.15 -0.26 0.00 -1.71 0.00 0.00 55.69 52.64 1a49 s MET 73 Cb -0.15 -3.78 0.04 0.00 2.01 0.00 0.00 34.83 32.95 1a49 s MET 73 CO 0.07 -0.76 1.09 1.21 -0.01 0.00 0.00 175.02 176.62 1a49 s ASN 74 N 1.69 6.38 0.00 3.03 3.84 -1.26 0.14 114.94 128.75 1a49 s ASN 74 Ca 0.02 -0.14 0.14 0.00 0.21 0.00 0.00 52.86 53.10 1a49 s ASN 74 Cb -0.20 -2.50 0.81 0.00 -0.55 0.00 0.00 41.25 38.81 1a49 s ASN 74 CO 0.06 -1.40 1.32 0.49 -2.79 0.00 0.00 177.10 174.79 1a49 n PHE 75 N 8.07 0.00 0.23 0.43 3.01 0.57 -1.09 117.46 128.68 1a49 n PHE 75 Ca 0.05 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.64 1a49 n PHE 75 Cb 0.48 -0.10 0.32 0.00 -0.01 0.00 0.00 39.48 40.17 1a49 n PHE 75 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1a49 h SER 76 N 0.00 0.00 -0.79 4.37 0.02 -1.80 -3.44 113.55 111.92 1a49 h SER 76 Ca 0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 1a49 h SER 76 Cb 0.05 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.49 1a49 h SER 76 CO 0.00 0.03 -0.46 -1.00 -1.14 0.00 0.00 176.83 174.27 1a49 s HIS 77 N -3.35 2.00 0.00 3.45 3.76 -0.25 -4.99 115.29 115.92 1a49 s HIS 77 Ca 0.05 -0.82 0.00 0.00 -0.15 0.00 0.00 55.06 54.14 1a49 s HIS 77 Cb 0.06 -1.79 0.00 0.00 1.11 0.00 0.00 32.58 31.97 1a49 s HIS 77 CO 0.64 0.03 0.00 0.41 -0.85 0.00 0.00 174.74 174.97 1a49 n GLY 78 N -1.38 0.33 3.59 -2.22 0.00 -1.26 -4.90 105.19 99.36 1a49 n GLY 78 Ca -0.09 -0.74 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 1a49 n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a49 s THR 79 N 0.00 1.07 0.52 2.61 -4.23 -1.26 -4.92 115.64 109.43 1a49 s THR 79 Ca 0.00 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 58.84 1a49 s THR 79 Cb 0.00 -2.46 0.36 0.00 1.34 0.00 0.00 72.50 71.74 1a49 s THR 79 CO 0.00 0.00 2.21 0.45 -0.54 0.00 0.00 174.62 176.74 1a49 h HIS 80 N 1.71 0.00 0.00 3.99 -0.00 -1.98 -0.52 115.15 118.35 1a49 h HIS 80 Ca -0.40 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 59.97 1a49 h HIS 80 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.69 1a49 h HIS 80 CO 1.23 0.04 -0.00 1.49 -0.00 0.00 0.00 177.93 180.69 1a49 h GLU 81 N 0.00 -0.00 -0.86 2.45 4.81 -2.00 -2.51 114.58 116.47 1a49 h GLU 81 Ca -0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1a49 h GLU 81 Cb 0.14 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 1a49 h GLU 81 CO 0.00 0.69 0.55 -0.92 -0.73 0.00 0.00 179.01 178.61 1a49 h TYR 82 N -0.69 1.03 -0.25 0.92 5.03 -1.73 -3.09 116.97 118.17 1a49 h TYR 82 Ca -0.00 0.03 -0.15 0.00 2.58 0.00 0.00 58.73 61.19 1a49 h TYR 82 Cb 0.69 -0.34 -0.00 0.00 1.55 0.00 0.00 36.73 38.63 1a49 h TYR 82 CO 0.17 0.58 -0.42 0.45 -1.32 0.00 0.00 178.16 177.61 1a49 h HIS 83 N 1.05 0.91 -0.42 -3.82 3.86 -1.15 -2.65 115.15 112.93 1a49 h HIS 83 Ca 0.35 -0.32 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1a49 h HIS 83 Cb 0.05 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 1a49 h HIS 83 CO -0.02 1.10 0.17 0.00 0.86 0.00 0.00 177.93 180.04 1a49 h ALA 84 N 0.65 1.52 -0.34 2.45 0.00 -1.45 0.18 119.26 122.27 1a49 h ALA 84 Ca 0.02 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1a49 h ALA 84 Cb 1.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1a49 h ALA 84 CO 0.10 0.38 -0.18 1.49 0.00 0.00 0.00 179.25 181.03 1a49 h GLU 85 N 0.60 0.72 0.01 0.00 4.81 -1.45 -0.91 114.58 118.36 1a49 h GLU 85 Ca 0.15 -0.32 0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1a49 h GLU 85 Cb 0.11 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 1a49 h GLU 85 CO -0.02 0.93 -0.38 1.15 -0.73 0.00 0.00 179.01 179.96 1a49 h THR 86 N 0.49 0.21 -0.45 0.32 2.02 -1.10 0.41 112.91 114.82 1a49 h THR 86 Ca 0.07 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.38 1a49 h THR 86 Cb 0.72 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1a49 h THR 86 CO 0.05 0.00 0.37 0.40 0.37 0.00 0.00 175.52 176.71 1a49 h ILE 87 N -0.54 0.62 0.23 3.11 2.04 -0.87 0.07 117.51 122.16 1a49 h ILE 87 Ca 0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 1a49 h ILE 87 Cb 0.62 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1a49 h ILE 87 CO -0.29 0.00 -0.11 0.50 0.00 0.00 0.00 178.15 178.25 1a49 h LYS 88 N 0.00 -0.29 0.00 2.37 3.11 0.12 -1.79 116.57 120.09 1a49 h LYS 88 Ca 0.21 0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 58.07 1a49 h LYS 88 Cb 0.94 0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 32.24 1a49 h LYS 88 CO -0.00 0.08 -0.01 -0.91 -2.81 0.00 0.00 179.45 175.80 1a49 h ASN 89 N -0.80 0.00 0.02 4.20 -0.26 0.28 -0.33 115.58 118.68 1a49 h ASN 89 Ca -0.03 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1a49 h ASN 89 Cb 0.51 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.77 1a49 h ASN 89 CO 0.05 0.01 -0.01 0.58 -1.06 0.00 0.00 177.43 177.01 1a49 h VAL 90 N 0.00 1.26 0.00 2.81 2.07 -0.82 0.97 116.25 122.54 1a49 h VAL 90 Ca -0.00 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1a49 h VAL 90 Cb 0.02 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1a49 h VAL 90 CO 0.00 0.21 0.00 0.03 0.02 0.00 0.00 177.57 177.84 1a49 h ARG 91 N -0.38 0.00 0.01 1.57 3.08 -0.92 -2.41 114.38 115.33 1a49 h ARG 91 Ca -0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 1a49 h ARG 91 Cb 0.37 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.43 1a49 h ARG 91 CO 0.00 0.00 -0.70 1.15 -1.07 0.00 0.00 179.97 179.35 1a49 h THR 92 N 0.00 1.41 -0.28 2.04 2.02 -0.84 -1.29 112.91 115.96 1a49 h THR 92 Ca 0.00 -2.15 -0.07 0.00 0.77 0.00 0.00 66.41 64.96 1a49 h THR 92 Cb 0.78 2.62 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 1a49 h THR 92 CO 0.00 0.63 -0.10 0.00 0.37 0.00 0.00 175.52 176.42 1a49 h ALA 93 N 0.31 0.39 0.16 6.16 0.00 -0.79 -1.97 119.26 123.53 1a49 h ALA 93 Ca -0.09 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.53 1a49 h ALA 93 Cb 1.41 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1a49 h ALA 93 CO 0.14 0.24 -0.31 1.15 0.00 0.00 0.00 179.25 180.47 1a49 h THR 94 N 0.32 0.33 0.00 0.00 2.02 -1.47 -0.82 112.91 113.29 1a49 h THR 94 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1a49 h THR 94 Cb 0.60 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1a49 h THR 94 CO 0.03 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.30 1a49 n GLU 95 N -5.42 0.09 0.28 6.66 -0.58 -0.49 -1.34 120.64 119.85 1a49 n GLU 95 Ca -0.07 0.47 0.14 0.00 -0.42 0.00 0.00 57.16 57.28 1a49 n GLU 95 Cb 0.33 -1.74 0.81 0.00 -0.57 0.00 0.00 31.44 30.27 1a49 n GLU 95 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1a49 h SER 96 N 0.00 0.00 -0.14 1.62 0.87 -0.33 -2.55 113.55 113.01 1a49 h SER 96 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1a49 h SER 96 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1a49 h SER 96 CO 0.00 0.07 0.00 0.49 -0.53 0.00 0.00 176.83 176.86 1a49 n PHE 97 N -3.63 0.16 1.49 2.24 3.72 -0.45 -4.62 117.46 116.38 1a49 n PHE 97 Ca -0.02 -0.09 0.07 0.00 -0.05 0.00 0.00 57.45 57.36 1a49 n PHE 97 Cb 0.19 -0.00 0.40 0.00 -0.94 0.00 0.00 39.48 39.12 1a49 n PHE 97 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a49 n ALA 98 N 1.30 2.33 0.06 4.37 0.00 -0.96 -3.79 120.51 123.82 1a49 n ALA 98 Ca 0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 53.44 53.46 1a49 n ALA 98 Cb 0.56 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 1a49 n ALA 98 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a49 h SER 99 N 0.00 -0.22 -1.91 0.00 4.64 -1.82 -3.39 113.55 110.84 1a49 h SER 99 Ca 0.00 0.01 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 1a49 h SER 99 Cb 0.00 0.06 -0.13 0.00 -0.31 0.00 0.00 62.40 62.02 1a49 h SER 99 CO 0.00 0.24 1.09 -0.62 -0.87 0.00 0.00 176.83 176.67 1a49 s ASP 100 N -5.21 6.45 0.61 4.97 2.15 -1.25 -4.83 116.67 119.56 1a49 s ASP 100 Ca -0.04 -1.43 0.28 0.00 0.43 0.00 0.00 52.55 51.79 1a49 s ASP 100 Cb 0.00 -2.49 1.51 0.00 -0.30 0.00 0.00 42.92 41.64 1a49 s ASP 100 CO 0.12 -1.41 1.84 1.55 -0.17 0.00 0.00 175.17 177.10 1a49 h PRO 101 N 9.49 0.00 0.28 4.34 0.14 -1.82 -1.97 132.00 142.46 1a49 h PRO 101 Ca 0.05 0.00 -0.01 0.00 0.14 0.00 0.00 66.00 66.18 1a49 h PRO 101 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.17 1a49 h PRO 101 CO 1.27 0.00 -0.13 0.82 0.14 0.00 0.00 178.00 180.10 1a49 h ILE 102 N 0.00 0.52 -0.33 -3.56 1.08 -1.92 -3.25 117.51 110.06 1a49 h ILE 102 Ca 0.00 -0.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.62 1a49 h ILE 102 Cb 0.64 0.85 0.00 0.00 -3.07 0.00 0.00 36.82 35.24 1a49 h ILE 102 CO 0.00 0.13 0.00 0.18 -0.69 0.00 0.00 178.15 177.77 1a49 n LEU 103 N -5.04 3.63 -4.75 1.44 4.32 -0.80 -4.88 117.00 110.93 1a49 n LEU 103 Ca -0.08 -1.84 -0.40 0.00 -0.02 0.00 0.00 56.01 53.68 1a49 n LEU 103 Cb 0.25 -0.59 -0.05 0.00 -1.62 0.00 0.00 43.42 41.40 1a49 n LEU 103 CO 0.23 0.47 0.43 -0.47 -1.22 0.00 0.00 177.39 176.83 1a49 s TYR 104 N -1.98 3.71 -0.08 -1.77 5.04 -0.83 -5.00 117.35 116.44 1a49 s TYR 104 Ca 0.31 1.40 0.02 0.00 -2.44 0.00 0.00 57.07 56.36 1a49 s TYR 104 Cb 0.23 -2.78 0.01 0.00 0.35 0.00 0.00 41.96 39.77 1a49 s TYR 104 CO 0.09 0.27 -0.15 1.03 -1.34 0.00 0.00 175.55 175.45 1a49 s ARG 105 N 0.01 2.02 0.50 4.97 0.52 -1.26 -4.89 118.95 120.82 1a49 s ARG 105 Ca 0.37 -0.51 -0.21 0.00 -0.52 0.00 0.00 55.73 54.86 1a49 s ARG 105 Cb -0.20 -1.65 -0.07 0.00 0.52 0.00 0.00 34.95 33.56 1a49 s ARG 105 CO 0.21 0.03 1.16 -2.14 0.02 0.00 0.00 175.30 174.58 1a49 s PRO 106 N 0.70 3.55 -0.10 3.54 0.02 -1.26 -4.93 135.00 136.52 1a49 s PRO 106 Ca -0.13 1.72 -0.03 0.00 0.02 0.00 0.00 61.00 62.59 1a49 s PRO 106 Cb -0.16 -2.22 0.04 0.00 0.02 0.00 0.00 34.50 32.18 1a49 s PRO 106 CO 0.03 -0.72 0.05 0.08 -0.33 0.00 0.00 177.00 176.11 1a49 s VAL 107 N -1.63 0.14 0.38 3.83 1.01 -1.26 -4.87 120.40 118.00 1a49 s VAL 107 Ca 0.68 0.04 -0.24 0.00 0.00 0.00 0.00 61.98 62.46 1a49 s VAL 107 Cb -0.27 -0.50 -0.09 0.00 0.00 0.00 0.00 36.38 35.52 1a49 s VAL 107 CO 0.32 0.03 1.01 0.00 0.00 0.00 0.00 175.10 176.46 1a49 s ALA 108 N 2.06 3.12 -0.21 5.51 0.00 0.23 -4.89 121.76 127.58 1a49 s ALA 108 Ca 0.03 0.63 -0.06 0.00 0.00 0.00 0.00 51.96 52.57 1a49 s ALA 108 Cb -0.14 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1a49 s ALA 108 CO -0.06 -0.08 0.03 0.08 0.00 0.00 0.00 175.76 175.73 1a49 s VAL 109 N -1.69 4.21 -0.05 0.00 1.01 -1.26 0.70 120.40 123.33 1a49 s VAL 109 Ca 0.56 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.35 1a49 s VAL 109 Cb -0.20 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1a49 s VAL 109 CO 0.25 0.42 -0.14 0.00 0.00 0.00 0.00 175.10 175.63 1a49 s ALA 110 N 0.98 1.34 -0.32 5.51 0.00 0.14 -1.08 121.76 128.33 1a49 s ALA 110 Ca 0.02 -0.55 -0.14 0.00 0.00 0.00 0.00 51.96 51.29 1a49 s ALA 110 Cb -0.14 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 1a49 s ALA 110 CO 0.02 0.21 0.32 -1.17 0.00 0.00 0.00 175.76 175.14 1a49 s LEU 111 N 0.25 4.34 -0.41 0.00 0.20 -0.99 0.65 118.68 122.71 1a49 s LEU 111 Ca -0.07 -0.16 -0.17 0.00 0.69 0.00 0.00 54.13 54.42 1a49 s LEU 111 Cb -0.12 -2.29 0.02 0.00 -0.43 0.00 0.00 46.19 43.37 1a49 s LEU 111 CO 0.02 -0.26 0.41 -0.62 -0.29 0.00 0.00 176.35 175.61 1a49 s ASP 112 N 1.72 6.18 0.68 3.68 -1.08 0.36 -1.04 116.67 127.17 1a49 s ASP 112 Ca 0.11 -0.66 -0.17 0.00 -0.52 0.00 0.00 52.55 51.31 1a49 s ASP 112 Cb -0.16 -2.21 -0.05 0.00 -1.46 0.00 0.00 42.92 39.04 1a49 s ASP 112 CO 0.11 -0.53 0.60 1.07 0.52 0.00 0.00 175.17 176.93 1a49 n THR 113 N 5.37 2.14 -0.02 1.71 5.66 -0.50 0.21 114.28 128.86 1a49 n THR 113 Ca -0.08 -0.43 -0.02 0.00 -3.05 0.00 0.00 64.05 60.47 1a49 n THR 113 Cb 0.48 -0.79 -0.01 0.00 -1.55 0.00 0.00 70.33 68.46 1a49 n THR 113 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1a49 h LYS 114 N -0.15 -0.07 0.00 1.09 3.64 -1.89 -3.40 116.57 115.79 1a49 h LYS 114 Ca -0.46 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.00 1a49 h LYS 114 Cb 1.36 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.18 1a49 h LYS 114 CO 0.45 0.02 -0.10 0.41 -2.27 0.00 0.00 179.45 177.95 1a49 n GLY 115 N 1.59 -1.65 2.69 5.01 0.00 -1.26 -4.44 105.19 107.13 1a49 n GLY 115 Ca -0.02 -1.23 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 1a49 n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a49 n PRO 116 N -1.72 2.66 -4.42 1.61 -0.04 -1.26 -4.89 135.00 126.94 1a49 n PRO 116 Ca 0.00 -2.18 -0.26 0.00 -0.04 0.00 0.00 63.50 61.03 1a49 n PRO 116 Cb 0.13 -2.97 -0.09 0.00 -0.04 0.00 0.00 33.50 30.52 1a49 n PRO 116 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1a49 s GLU 117 N 3.37 2.00 -0.22 0.54 -1.05 -1.26 -4.90 118.70 117.17 1a49 s GLU 117 Ca 0.54 -1.87 -0.02 0.00 -0.15 0.00 0.00 54.97 53.47 1a49 s GLU 117 Cb 0.15 -1.83 0.01 0.00 -0.44 0.00 0.00 34.13 32.02 1a49 s GLU 117 CO -0.03 0.08 -0.08 0.42 0.95 0.00 0.00 175.26 176.60 1a49 s ILE 118 N -2.58 2.87 0.16 1.83 1.01 -1.26 -4.99 121.20 118.24 1a49 s ILE 118 Ca 0.35 -0.83 0.10 0.00 0.00 0.00 0.00 60.65 60.27 1a49 s ILE 118 Cb 0.03 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1a49 s ILE 118 CO 0.19 0.35 -0.20 -0.13 0.00 0.00 0.00 174.94 175.14 1a49 s ARG 119 N 1.37 1.68 0.58 2.79 1.81 -1.26 0.14 118.95 126.06 1a49 s ARG 119 Ca 0.03 -1.35 -0.07 0.00 -1.72 0.00 0.00 55.73 52.62 1a49 s ARG 119 Cb -0.15 -1.99 -0.01 0.00 -0.45 0.00 0.00 34.95 32.35 1a49 s ARG 119 CO -0.06 0.44 0.92 0.99 -0.68 0.00 0.00 175.30 176.90 1a49 s THR 120 N -1.43 4.15 0.00 0.02 2.01 -0.15 -1.54 115.64 118.71 1a49 s THR 120 Ca 0.20 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.46 1a49 s THR 120 Cb -0.09 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.78 1a49 s THR 120 CO 0.10 -0.70 0.00 0.61 -0.69 0.00 0.00 174.62 173.94 1a49 n GLY 121 N -2.58 0.87 3.52 4.40 0.00 -0.77 -3.03 105.19 107.60 1a49 n GLY 121 Ca 0.04 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 1a49 n GLY 121 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a49 s LEU 122 N 0.00 3.64 -0.10 0.99 1.43 -0.47 0.15 118.68 124.31 1a49 s LEU 122 Ca 0.00 -0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 52.71 1a49 s LEU 122 Cb 0.00 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 1a49 s LEU 122 CO 0.00 0.02 1.43 -0.63 0.23 0.00 0.00 176.35 177.39 1a49 s ILE 123 N 1.31 3.95 -0.61 -0.59 -1.09 -1.25 -0.23 121.20 122.69 1a49 s ILE 123 Ca 0.05 1.18 -0.06 0.00 -2.23 0.00 0.00 60.65 59.59 1a49 s ILE 123 Cb -0.15 -3.76 0.06 0.00 -1.58 0.00 0.00 42.46 37.03 1a49 s ILE 123 CO 0.04 -0.09 0.17 0.29 -1.23 0.00 0.00 174.94 174.13 1a49 n LYS 124 N 6.63 -2.48 -1.07 2.79 5.02 -0.21 -0.69 118.16 128.15 1a49 n LYS 124 Ca 0.15 0.12 -0.02 0.00 -2.02 0.00 0.00 58.31 56.54 1a49 n LYS 124 Cb 0.44 -4.67 -0.01 0.00 -0.02 0.00 0.00 35.03 30.77 1a49 n LYS 124 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a49 n GLY 125 N -0.71 0.54 3.39 0.72 0.00 -0.49 -5.01 105.19 103.63 1a49 n GLY 125 Ca 0.01 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 1a49 n GLY 125 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a49 s SER 126 N -2.33 3.98 0.00 1.61 0.15 0.13 -4.98 113.70 112.26 1a49 s SER 126 Ca 0.00 -0.30 0.16 0.00 0.70 0.00 0.00 55.95 56.51 1a49 s SER 126 Cb 0.00 -1.41 0.96 0.00 -1.71 0.00 0.00 66.02 63.86 1a49 s SER 126 CO 0.00 0.21 1.58 0.61 1.20 0.00 0.00 173.24 176.84 1a49 n GLY 127 N 3.21 -0.95 0.00 9.45 0.00 -1.26 -2.52 105.19 113.12 1a49 n GLY 127 Ca -0.18 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1a49 n GLY 127 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a49 n THR 128 N -0.76 0.32 -2.55 2.61 -2.24 -1.26 -4.72 114.28 105.68 1a49 n THR 128 Ca 0.12 -0.61 -0.29 0.00 -2.27 0.00 0.00 64.05 61.00 1a49 n THR 128 Cb 0.06 0.91 -0.01 0.00 -2.10 0.00 0.00 70.33 69.18 1a49 n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a49 s ALA 129 N -0.32 3.31 0.15 6.98 0.00 -1.05 -5.02 121.76 125.80 1a49 s ALA 129 Ca 0.00 -0.30 -0.19 0.00 0.00 0.00 0.00 51.96 51.47 1a49 s ALA 129 Cb 0.00 -2.74 0.05 0.00 0.00 0.00 0.00 23.12 20.43 1a49 s ALA 129 CO 0.00 -0.30 0.50 -1.83 0.00 0.00 0.00 175.76 174.13 1a49 s GLU 130 N -4.51 1.19 0.03 0.00 -1.05 -1.25 -3.71 118.70 109.39 1a49 s GLU 130 Ca 0.51 -0.62 -0.07 0.00 -0.15 0.00 0.00 54.97 54.64 1a49 s GLU 130 Cb -0.10 0.53 -0.00 0.00 -0.44 0.00 0.00 34.13 34.11 1a49 s GLU 130 CO 0.42 -0.50 0.14 0.54 0.95 0.00 0.00 175.26 176.81 1a49 s VAL 131 N -3.79 0.11 -0.40 1.83 0.11 -0.58 -4.86 120.40 112.82 1a49 s VAL 131 Ca 0.03 -0.90 -0.14 0.00 -2.93 0.00 0.00 61.98 58.03 1a49 s VAL 131 Cb 0.00 -0.76 0.02 0.00 -1.53 0.00 0.00 36.38 34.11 1a49 s VAL 131 CO -0.12 -0.50 0.28 -0.70 -3.33 0.00 0.00 175.10 170.73 1a49 s GLU 132 N -2.21 3.01 0.64 1.54 2.12 -1.26 0.14 118.70 122.68 1a49 s GLU 132 Ca -0.08 -0.99 -0.11 0.00 0.36 0.00 0.00 54.97 54.15 1a49 s GLU 132 Cb -0.03 -3.92 -0.02 0.00 0.26 0.00 0.00 34.13 30.41 1a49 s GLU 132 CO -0.02 -0.71 1.04 -0.51 -0.54 0.00 0.00 175.26 174.52 1a49 s LEU 133 N 1.67 3.21 0.16 2.70 2.01 0.92 -4.87 118.68 124.48 1a49 s LEU 133 Ca 0.05 1.51 0.10 0.00 0.01 0.00 0.00 54.13 55.80 1a49 s LEU 133 Cb -0.19 -4.48 -0.04 0.00 0.01 0.00 0.00 46.19 41.49 1a49 s LEU 133 CO 0.10 -1.09 -0.20 -0.54 1.01 0.00 0.00 176.35 175.62 1a49 s LYS 134 N -5.05 1.67 0.15 1.70 -0.14 -1.26 -2.19 119.74 114.61 1a49 s LYS 134 Ca 0.57 -1.36 -0.31 0.00 -1.36 0.00 0.00 55.97 53.51 1a49 s LYS 134 Cb -0.12 -1.98 -0.08 0.00 -1.68 0.00 0.00 37.83 33.96 1a49 s LYS 134 CO 0.53 0.44 1.36 0.21 -0.76 0.00 0.00 175.35 177.13 1a49 s LYS 135 N -2.46 4.34 0.00 1.68 2.20 -1.26 -2.83 119.74 121.41 1a49 s LYS 135 Ca 0.20 2.08 0.00 0.00 -0.36 0.00 0.00 55.97 57.88 1a49 s LYS 135 Cb -0.09 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1a49 s LYS 135 CO 0.10 -0.37 0.00 0.41 -0.36 0.00 0.00 175.35 175.13 1a49 n GLY 136 N 3.06 1.29 3.86 5.54 0.00 0.12 -4.98 105.19 114.08 1a49 n GLY 136 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1a49 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a49 s ALA 137 N -2.82 2.62 -0.02 4.61 0.00 -1.13 -4.68 121.76 120.34 1a49 s ALA 137 Ca 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 51.96 51.59 1a49 s ALA 137 Cb 0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 1a49 s ALA 137 CO 0.00 -1.45 0.04 -0.08 0.00 0.00 0.00 175.76 174.27 1a49 s THR 138 N -3.33 4.46 -0.04 0.00 -1.32 -1.26 0.16 115.64 114.31 1a49 s THR 138 Ca 0.60 -0.43 -0.03 0.00 -1.21 0.00 0.00 61.69 60.61 1a49 s THR 138 Cb -0.12 -2.99 0.02 0.00 -1.51 0.00 0.00 72.50 67.90 1a49 s THR 138 CO 0.52 0.41 0.10 -0.22 -2.21 0.00 0.00 174.62 173.23 1a49 s LEU 139 N -1.49 1.41 -0.11 9.08 2.96 0.47 -4.82 118.68 126.17 1a49 s LEU 139 Ca 0.20 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 1a49 s LEU 139 Cb -0.12 0.32 -0.01 0.00 0.50 0.00 0.00 46.19 46.88 1a49 s LEU 139 CO 0.10 -0.06 -0.15 -0.75 -1.32 0.00 0.00 176.35 174.17 1a49 s LYS 140 N 0.33 3.21 -0.22 1.98 2.20 -1.18 0.19 119.74 126.25 1a49 s LYS 140 Ca -0.02 -0.72 -0.09 0.00 -0.36 0.00 0.00 55.97 54.78 1a49 s LYS 140 Cb -0.04 -2.55 -0.04 0.00 -1.51 0.00 0.00 37.83 33.70 1a49 s LYS 140 CO -0.01 0.27 0.11 0.42 -0.36 0.00 0.00 175.35 175.78 1a49 s ILE 141 N 0.19 4.97 0.44 5.43 1.01 1.17 -1.08 121.20 133.33 1a49 s ILE 141 Ca -0.09 0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.66 1a49 s ILE 141 Cb -0.15 -3.29 -0.06 0.00 0.01 0.00 0.00 42.46 38.97 1a49 s ILE 141 CO 0.05 0.39 0.02 0.28 0.00 0.00 0.00 174.94 175.69 1a49 s THR 142 N 0.86 1.78 0.00 2.92 -1.32 -0.04 0.90 115.64 120.74 1a49 s THR 142 Ca 0.06 -1.98 0.00 0.00 -1.21 0.00 0.00 61.69 58.56 1a49 s THR 142 Cb -0.13 -2.76 0.00 0.00 -1.51 0.00 0.00 72.50 68.10 1a49 s THR 142 CO 0.03 0.00 0.88 0.18 -2.21 0.00 0.00 174.62 173.50 1a49 n LEU 143 N -1.08 1.74 -4.55 9.08 4.77 -1.08 -2.32 117.00 123.56 1a49 n LEU 143 Ca -0.09 -1.74 -0.36 0.00 -0.03 0.00 0.00 56.01 53.79 1a49 n LEU 143 Cb 0.67 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.73 1a49 n LEU 143 CO 0.46 0.43 1.68 -0.62 -1.33 0.00 0.00 177.39 178.02 1a49 s ASP 144 N -0.78 5.00 0.57 -1.43 -1.08 -1.26 -4.77 116.67 112.92 1a49 s ASP 144 Ca 0.00 0.44 0.40 0.00 -0.52 0.00 0.00 52.55 52.87 1a49 s ASP 144 Cb 0.00 -2.52 1.50 0.00 -1.46 0.00 0.00 42.92 40.44 1a49 s ASP 144 CO 0.00 -2.59 1.61 0.78 0.52 0.00 0.00 175.17 175.49 1a49 h ASN 145 N 15.83 0.00 0.00 -0.34 -0.26 -1.95 1.33 115.58 130.20 1a49 h ASN 145 Ca -0.22 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.52 1a49 h ASN 145 Cb 1.17 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.43 1a49 h ASN 145 CO 1.20 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 177.57 1a49 n ALA 146 N -2.69 1.65 -0.87 -0.83 0.00 -1.26 -0.08 120.51 116.42 1a49 n ALA 146 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1a49 n ALA 146 Cb 1.60 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1a49 n ALA 146 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a49 n TYR 147 N -0.64 0.00 -0.25 0.00 4.02 0.46 -4.81 117.16 115.94 1a49 n TYR 147 Ca 0.01 -0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.94 1a49 n TYR 147 Cb 0.00 -0.00 0.14 0.00 -0.02 0.00 0.00 39.34 39.47 1a49 n TYR 147 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 1a49 h MET 148 N 0.00 0.08 -0.45 -0.72 4.05 -0.52 0.14 114.93 117.52 1a49 h MET 148 Ca 0.00 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1a49 h MET 148 Cb 0.46 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 1a49 h MET 148 CO 0.00 0.05 0.00 0.39 0.23 0.00 0.00 176.91 177.58 1a49 n GLU 149 N -5.37 3.58 -1.28 0.39 1.02 -1.26 -1.37 120.64 116.34 1a49 n GLU 149 Ca 0.13 -2.82 -0.10 0.00 -0.02 0.00 0.00 57.16 54.35 1a49 n GLU 149 Cb 0.45 -1.87 0.12 0.00 -0.02 0.00 0.00 31.44 30.12 1a49 n GLU 149 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1a49 n LYS 150 N 0.33 2.56 -2.65 3.49 4.76 0.49 -1.40 118.16 125.74 1a49 n LYS 150 Ca 0.23 -3.69 -0.36 0.00 -2.87 0.00 0.00 58.31 51.61 1a49 n LYS 150 Cb 0.89 -1.96 -0.05 0.00 -1.84 0.00 0.00 35.03 32.08 1a49 n LYS 150 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1a49 n ASP 152 N 0.10 -0.57 0.18 0.00 5.68 -0.67 -1.04 116.55 120.22 1a49 n ASP 152 Ca 0.04 -1.41 0.09 0.00 -0.50 0.00 0.00 54.79 53.01 1a49 n ASP 152 Cb 0.50 0.96 0.48 0.00 -1.14 0.00 0.00 41.12 41.92 1a49 n ASP 152 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1a49 h GLU 153 N 0.00 0.00 0.00 0.11 4.11 -1.95 -2.90 114.58 113.95 1a49 h GLU 153 Ca -0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 1a49 h GLU 153 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1a49 h GLU 153 CO 0.11 0.00 -1.07 0.09 0.07 0.00 0.00 179.01 178.21 1a49 n ASN 154 N -2.21 4.71 -3.85 3.06 4.13 -1.26 -4.85 115.26 114.99 1a49 n ASN 154 Ca -0.01 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 56.04 1a49 n ASN 154 Cb 0.24 0.75 -0.17 0.00 -1.54 0.00 0.00 39.78 39.06 1a49 n ASN 154 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1a49 s ILE 155 N -2.05 0.48 -0.19 2.41 1.01 -1.09 -3.08 121.20 118.67 1a49 s ILE 155 Ca -0.01 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.62 1a49 s ILE 155 Cb 0.01 -0.55 0.03 0.00 0.01 0.00 0.00 42.46 41.96 1a49 s ILE 155 CO 0.05 0.23 -0.18 -0.22 0.00 0.00 0.00 174.94 174.82 1a49 s LEU 156 N 1.28 2.34 -0.08 2.97 0.20 -0.25 -1.68 118.68 123.46 1a49 s LEU 156 Ca -0.05 -0.77 -0.12 0.00 0.69 0.00 0.00 54.13 53.87 1a49 s LEU 156 Cb -0.14 -1.48 -0.05 0.00 -0.43 0.00 0.00 46.19 44.10 1a49 s LEU 156 CO -0.02 -0.04 0.28 0.86 -0.29 0.00 0.00 176.35 177.15 1a49 s TRP 157 N 1.27 3.61 0.39 5.38 -0.00 -1.26 -0.86 118.94 127.47 1a49 s TRP 157 Ca 0.03 0.73 0.08 0.00 -0.00 0.00 0.00 56.10 56.93 1a49 s TRP 157 Cb -0.14 -2.18 -0.06 0.00 -0.00 0.00 0.00 33.47 31.08 1a49 s TRP 157 CO -0.12 0.57 0.05 -0.51 -0.00 0.00 0.00 176.95 176.95 1a49 s LEU 158 N -0.66 2.96 0.00 5.86 1.02 -0.98 -1.84 118.68 125.04 1a49 s LEU 158 Ca 0.19 -1.19 0.13 0.00 0.02 0.00 0.00 54.13 53.28 1a49 s LEU 158 Cb -0.14 -1.16 0.38 0.00 0.02 0.00 0.00 46.19 45.28 1a49 s LEU 158 CO 0.08 -0.41 1.31 -0.90 0.02 0.00 0.00 176.35 176.44 1a49 n ASP 159 N -1.03 3.14 -4.21 2.29 5.75 -0.59 -4.74 116.55 117.16 1a49 n ASP 159 Ca -0.04 -1.99 -0.38 0.00 -0.01 0.00 0.00 54.79 52.37 1a49 n ASP 159 Cb 0.65 -0.28 -0.11 0.00 -1.03 0.00 0.00 41.12 40.35 1a49 n ASP 159 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1a49 s TYR 160 N -1.00 3.40 0.13 2.11 5.04 -1.26 -4.92 117.35 120.85 1a49 s TYR 160 Ca 0.29 -1.85 -0.21 0.00 -2.44 0.00 0.00 57.07 52.85 1a49 s TYR 160 Cb 0.15 -2.93 -0.03 0.00 0.35 0.00 0.00 41.96 39.50 1a49 s TYR 160 CO 0.20 -0.88 1.69 0.87 -1.34 0.00 0.00 175.55 176.08 1a49 h LYS 161 N 8.24 -0.11 0.00 4.97 1.57 -2.01 -2.17 116.57 127.07 1a49 h LYS 161 Ca -0.20 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1a49 h LYS 161 Cb 1.07 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1a49 h LYS 161 CO 0.71 -0.07 0.00 -0.91 -0.57 0.00 0.00 179.45 178.61 1a49 h ASN 162 N -0.11 0.00 -0.79 0.86 -0.26 -2.00 -3.38 115.58 109.90 1a49 h ASN 162 Ca 0.09 0.00 -0.40 0.00 -0.56 0.00 0.00 56.30 55.43 1a49 h ASN 162 Cb 0.24 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.44 1a49 h ASN 162 CO -0.21 0.00 1.07 -0.51 -1.06 0.00 0.00 177.43 176.72 1a49 s ILE 163 N -3.46 3.63 0.08 2.81 -1.16 -0.82 -1.02 121.20 121.26 1a49 s ILE 163 Ca 0.01 -0.65 0.00 0.00 -0.51 0.00 0.00 60.65 59.50 1a49 s ILE 163 Cb 0.08 -4.43 0.00 0.00 0.61 0.00 0.00 42.46 38.72 1a49 s ILE 163 CO 0.31 -1.28 0.00 0.00 -2.81 0.00 0.00 174.94 171.17 1a49 n LYS 165 N -2.57 0.06 0.03 0.00 2.85 -0.19 -3.27 118.16 115.07 1a49 n LYS 165 Ca 0.00 -0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1a49 n LYS 165 Cb 0.00 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 32.80 1a49 n LYS 165 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1a49 h VAL 166 N 0.01 0.52 -2.04 0.58 2.07 -1.84 -3.47 116.25 112.08 1a49 h VAL 166 Ca 0.00 -2.03 -0.59 0.00 0.82 0.00 0.00 66.70 64.90 1a49 h VAL 166 Cb 0.47 2.06 -0.12 0.00 -1.52 0.00 0.00 31.29 32.19 1a49 h VAL 166 CO 0.00 0.30 -0.67 0.54 0.02 0.00 0.00 177.57 177.76 1a49 s VAL 167 N -2.91 2.68 0.04 2.57 0.11 -1.20 -4.57 120.40 117.12 1a49 s VAL 167 Ca -0.03 -2.10 0.02 0.00 -2.93 0.00 0.00 61.98 56.94 1a49 s VAL 167 Cb 0.09 -2.66 -0.02 0.00 -1.53 0.00 0.00 36.38 32.25 1a49 s VAL 167 CO 0.81 -0.28 -0.08 1.51 -3.33 0.00 0.00 175.10 173.73 1a49 s ASP 168 N -3.64 0.85 0.25 3.54 -4.77 -1.26 -4.80 116.67 106.84 1a49 s ASP 168 Ca 0.33 -0.54 -0.27 0.00 -3.30 0.00 0.00 52.55 48.76 1a49 s ASP 168 Cb -0.02 0.03 -0.16 0.00 -1.09 0.00 0.00 42.92 41.69 1a49 s ASP 168 CO 0.18 -0.20 0.63 0.52 0.70 0.00 0.00 175.17 177.00 1a49 n VAL 169 N 1.49 1.91 0.00 2.11 0.31 -1.26 -0.42 118.33 122.47 1a49 n VAL 169 Ca -0.23 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.60 1a49 n VAL 169 Cb 0.55 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.17 1a49 n VAL 169 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a49 n GLY 170 N 1.79 3.09 3.24 2.92 0.00 0.11 -4.99 105.19 111.35 1a49 n GLY 170 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1a49 n GLY 170 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a49 n SER 171 N 0.15 -3.04 -4.12 1.61 7.64 0.44 -4.58 113.62 111.72 1a49 n SER 171 Ca 0.00 -0.47 -0.26 0.00 1.01 0.00 0.00 58.87 59.15 1a49 n SER 171 Cb 0.00 -1.00 -0.16 0.00 -1.01 0.00 0.00 64.21 62.04 1a49 n SER 171 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1a49 s LYS 172 N -4.24 1.82 -0.15 1.43 3.01 -1.26 -1.01 119.74 119.35 1a49 s LYS 172 Ca 0.59 -0.59 -0.01 0.00 -1.01 0.00 0.00 55.97 54.94 1a49 s LYS 172 Cb -0.14 -1.56 -0.02 0.00 -1.01 0.00 0.00 37.83 35.11 1a49 s LYS 172 CO 0.55 0.21 -0.10 0.08 0.51 0.00 0.00 175.35 176.61 1a49 s VAL 173 N 0.12 3.26 -0.19 3.17 1.01 1.35 -4.84 120.40 124.29 1a49 s VAL 173 Ca -0.06 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 1a49 s VAL 173 Cb -0.12 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 1a49 s VAL 173 CO 0.03 0.50 0.11 -0.31 0.00 0.00 0.00 175.10 175.43 1a49 s TYR 174 N 0.52 3.36 -0.08 5.22 2.02 -0.99 0.22 117.35 127.62 1a49 s TYR 174 Ca -0.07 0.25 0.05 0.00 -0.37 0.00 0.00 57.07 56.93 1a49 s TYR 174 Cb -0.15 -2.12 -0.01 0.00 -0.40 0.00 0.00 41.96 39.28 1a49 s TYR 174 CO 0.04 0.26 -0.23 0.08 -1.57 0.00 0.00 175.55 174.13 1a49 s VAL 175 N 0.32 2.20 -0.48 0.71 1.01 0.94 -1.06 120.40 124.04 1a49 s VAL 175 Ca 0.07 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 1a49 s VAL 175 Cb -0.11 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1a49 s VAL 175 CO -0.01 0.56 0.59 -0.67 0.00 0.00 0.00 175.10 175.57 1a49 n ASP 176 N 3.22 -7.64 -3.69 3.32 -0.08 -0.47 0.17 116.55 111.38 1a49 n ASP 176 Ca -0.18 0.37 -0.26 0.00 -1.51 0.00 0.00 54.79 53.20 1a49 n ASP 176 Cb 0.52 -5.17 -0.04 0.00 2.34 0.00 0.00 41.12 38.78 1a49 n ASP 176 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1a49 n ASP 177 N -0.66 -2.16 0.00 1.67 8.00 -1.26 0.18 116.55 122.31 1a49 n ASP 177 Ca 0.09 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 55.03 1a49 n ASP 177 Cb 0.45 -1.87 0.00 0.00 -0.02 0.00 0.00 41.12 39.68 1a49 n ASP 177 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a49 n GLY 178 N -0.96 0.65 0.12 0.44 0.00 -1.25 -4.71 105.19 99.48 1a49 n GLY 178 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1a49 n GLY 178 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a49 h LEU 179 N 0.00 -0.18 -8.74 0.99 5.85 0.26 -3.40 115.31 110.09 1a49 h LEU 179 Ca 0.00 0.01 -0.66 0.00 0.84 0.00 0.00 57.88 58.07 1a49 h LEU 179 Cb 0.00 0.05 -0.25 0.00 0.37 0.00 0.00 40.66 40.83 1a49 h LEU 179 CO 0.00 -0.13 -0.73 -0.63 -0.34 0.00 0.00 178.44 176.61 1a49 s ILE 180 N -6.16 3.33 -0.29 4.05 -1.09 0.46 -4.95 121.20 116.54 1a49 s ILE 180 Ca -0.14 -0.57 -0.05 0.00 -2.23 0.00 0.00 60.65 57.66 1a49 s ILE 180 Cb 0.06 -2.40 0.03 0.00 -1.58 0.00 0.00 42.46 38.56 1a49 s ILE 180 CO 0.65 0.53 0.03 -0.55 -1.23 0.00 0.00 174.94 174.37 1a49 s SER 181 N 0.18 4.90 -0.10 3.58 0.15 -1.26 0.32 113.70 121.48 1a49 s SER 181 Ca -0.06 -0.93 -0.00 0.00 0.70 0.00 0.00 55.95 55.66 1a49 s SER 181 Cb -0.15 -1.79 -0.03 0.00 -1.71 0.00 0.00 66.02 62.34 1a49 s SER 181 CO 0.04 -0.21 -0.07 -0.76 1.20 0.00 0.00 173.24 173.44 1a49 s LEU 182 N 1.39 3.12 -0.27 3.45 1.43 0.60 -1.78 118.68 126.62 1a49 s LEU 182 Ca -0.00 -0.09 -0.09 0.00 -1.03 0.00 0.00 54.13 52.92 1a49 s LEU 182 Cb -0.18 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1a49 s LEU 182 CO 0.00 0.29 0.13 -1.58 0.23 0.00 0.00 176.35 175.42 1a49 s GLN 183 N -0.37 3.68 -0.09 1.70 0.74 -1.00 0.41 119.66 124.73 1a49 s GLN 183 Ca 0.05 -0.48 -0.33 0.00 0.05 0.00 0.00 55.36 54.65 1a49 s GLN 183 Cb -0.12 -3.50 -0.11 0.00 1.10 0.00 0.00 33.01 30.38 1a49 s GLN 183 CO 0.02 -0.24 1.94 0.28 -0.55 0.00 0.00 175.29 176.74 1a49 n VAL 184 N 4.99 0.59 -0.03 1.34 0.31 -0.18 -2.40 118.33 122.94 1a49 n VAL 184 Ca -0.15 -0.14 -0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1a49 n VAL 184 Cb 0.51 -1.98 -0.08 0.00 -0.91 0.00 0.00 33.84 31.38 1a49 n VAL 184 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1a49 n LYS 185 N 7.02 1.55 -3.74 5.55 5.02 0.31 0.04 118.16 133.90 1a49 n LYS 185 Ca 0.24 -0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.36 1a49 n LYS 185 Cb 0.32 -1.24 -0.11 0.00 -0.02 0.00 0.00 35.03 33.98 1a49 n LYS 185 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1a49 s GLN 186 N -2.43 0.42 -0.08 1.97 -0.21 0.01 -4.87 119.66 114.47 1a49 s GLN 186 Ca -0.04 0.55 -0.01 0.00 0.02 0.00 0.00 55.36 55.87 1a49 s GLN 186 Cb 0.04 0.17 -0.03 0.00 1.00 0.00 0.00 33.01 34.19 1a49 s GLN 186 CO 0.40 -0.07 -0.01 0.15 -2.12 0.00 0.00 175.29 173.64 1a49 s LYS 187 N 0.40 2.94 0.00 2.91 1.02 -1.26 -1.71 119.74 124.03 1a49 s LYS 187 Ca -0.02 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 55.54 1a49 s LYS 187 Cb -0.04 -2.76 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 1a49 s LYS 187 CO -0.02 0.70 0.00 0.41 -0.92 0.00 0.00 175.35 175.52 1a49 n GLY 188 N 2.15 3.67 0.00 -3.33 0.00 0.22 -4.99 105.19 102.92 1a49 n GLY 188 Ca -0.18 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1a49 n GLY 188 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a49 n PRO 189 N 0.00 3.06 0.00 1.61 -0.04 -1.26 -4.58 135.00 133.79 1a49 n PRO 189 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1a49 n PRO 189 Cb 0.00 -0.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 1a49 n PRO 189 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1a49 n ASP 190 N -0.85 0.61 -3.46 3.54 2.03 -1.26 -5.03 116.55 112.13 1a49 n ASP 190 Ca 0.00 -0.81 0.03 0.00 0.52 0.00 0.00 54.79 54.53 1a49 n ASP 190 Cb 0.00 0.37 0.01 0.00 -0.72 0.00 0.00 41.12 40.78 1a49 n ASP 190 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1a49 n PHE 191 N -0.37 -0.32 -3.82 -0.67 -1.74 -1.26 -2.64 117.46 106.64 1a49 n PHE 191 Ca 0.00 -0.60 -0.12 0.00 -0.56 0.00 0.00 57.45 56.17 1a49 n PHE 191 Cb 0.00 0.27 -0.09 0.00 1.52 0.00 0.00 39.48 41.18 1a49 n PHE 191 CO 0.00 0.00 0.00 -0.48 -0.56 0.00 0.00 176.76 175.72 1a49 s LEU 192 N 0.00 1.20 -0.26 5.98 -0.00 0.26 0.73 118.68 126.59 1a49 s LEU 192 Ca 0.26 -0.11 -0.06 0.00 -0.00 0.00 0.00 54.13 54.22 1a49 s LEU 192 Cb -0.01 1.00 -0.01 0.00 -0.00 0.00 0.00 46.19 47.18 1a49 s LEU 192 CO -0.01 -0.45 0.04 -0.69 -0.00 0.00 0.00 176.35 175.25 1a49 s VAL 193 N -1.61 3.87 0.36 1.48 1.01 -0.69 0.37 120.40 125.19 1a49 s VAL 193 Ca -0.12 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.41 1a49 s VAL 193 Cb -0.05 -2.88 -0.07 0.00 0.00 0.00 0.00 36.38 33.38 1a49 s VAL 193 CO 0.02 0.25 0.02 0.42 0.00 0.00 0.00 175.10 175.81 1a49 s THR 194 N 1.52 1.64 0.02 3.92 -4.23 0.49 0.11 115.64 119.11 1a49 s THR 194 Ca 0.04 -2.02 0.08 0.00 -1.18 0.00 0.00 61.69 58.61 1a49 s THR 194 Cb -0.16 -2.85 -0.02 0.00 1.34 0.00 0.00 72.50 70.81 1a49 s THR 194 CO 0.01 -0.03 -0.23 -0.70 -0.54 0.00 0.00 174.62 173.13 1a49 s GLU 195 N -3.78 1.69 -0.15 3.99 2.12 -1.01 0.18 118.70 121.73 1a49 s GLU 195 Ca 0.35 -0.92 -0.29 0.00 0.36 0.00 0.00 54.97 54.47 1a49 s GLU 195 Cb 0.09 -1.74 -0.02 0.00 0.26 0.00 0.00 34.13 32.72 1a49 s GLU 195 CO 0.16 0.46 1.23 0.08 -0.54 0.00 0.00 175.26 176.66 1a49 s VAL 196 N -0.68 4.31 0.05 3.70 1.01 0.43 -2.38 120.40 126.85 1a49 s VAL 196 Ca 0.09 1.60 0.09 0.00 0.00 0.00 0.00 61.98 63.76 1a49 s VAL 196 Cb -0.09 -4.03 -0.20 0.00 0.00 0.00 0.00 36.38 32.06 1a49 s VAL 196 CO 0.01 -0.12 1.09 -0.33 0.00 0.00 0.00 175.10 175.75 1a49 h GLU 197 N 8.01 0.00 -3.20 2.72 5.08 -1.64 0.35 114.58 125.90 1a49 h GLU 197 Ca -0.27 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.94 1a49 h GLU 197 Cb 1.11 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.13 1a49 h GLU 197 CO 0.95 0.80 -0.40 0.54 -1.00 0.00 0.00 179.01 179.91 1a49 s ASN 198 N -6.49 -0.16 0.94 1.42 2.20 -1.26 -4.72 114.94 106.88 1a49 s ASN 198 Ca -0.01 0.19 -0.14 0.00 -0.94 0.00 0.00 52.86 51.96 1a49 s ASN 198 Cb 0.09 0.37 0.16 0.00 -2.00 0.00 0.00 41.25 39.87 1a49 s ASN 198 CO 0.82 -0.27 1.18 -0.83 -2.94 0.00 0.00 177.10 175.06 1a49 s GLY 199 N -0.71 1.62 0.00 0.45 0.00 -1.26 -4.63 107.32 102.80 1a49 s GLY 199 Ca -0.08 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.89 1a49 s GLY 199 CO 0.02 -0.12 0.00 0.61 0.00 0.00 0.00 173.10 173.61 1a49 n GLY 200 N -2.61 0.11 0.00 0.20 0.00 -0.93 -4.94 105.19 97.02 1a49 n GLY 200 Ca 0.09 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1a49 n GLY 200 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1a49 n PHE 201 N -1.01 -0.86 -3.25 1.61 3.01 -1.25 0.31 117.46 116.01 1a49 n PHE 201 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.49 1a49 n PHE 201 Cb 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 1a49 n PHE 201 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1a49 s LEU 202 N 0.00 -0.30 0.00 4.37 2.96 0.12 -4.25 118.68 121.58 1a49 s LEU 202 Ca 0.00 0.36 0.00 0.00 -0.22 0.00 0.00 54.13 54.27 1a49 s LEU 202 Cb 0.00 1.32 0.00 0.00 0.50 0.00 0.00 46.19 48.01 1a49 s LEU 202 CO 0.00 -0.06 0.00 0.61 -1.32 0.00 0.00 176.35 175.58 1a49 n GLY 203 N 4.90 2.01 3.78 7.98 0.00 -1.26 -1.53 105.19 121.08 1a49 n GLY 203 Ca -0.08 -2.13 -0.36 0.00 0.00 0.00 0.00 46.02 43.46 1a49 n GLY 203 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a49 s SER 204 N -1.00 6.19 -1.08 1.61 0.01 -1.24 -4.47 113.70 113.72 1a49 s SER 204 Ca 0.00 0.31 -0.06 0.00 1.31 0.00 0.00 55.95 57.51 1a49 s SER 204 Cb 0.00 -2.04 0.01 0.00 0.21 0.00 0.00 66.02 64.19 1a49 s SER 204 CO 0.00 0.29 0.94 0.29 0.41 0.00 0.00 173.24 175.17 1a49 n LYS 205 N 2.81 -6.33 -2.93 12.44 5.02 0.41 -4.94 118.16 124.63 1a49 n LYS 205 Ca -0.18 0.67 -0.32 0.00 -2.02 0.00 0.00 58.31 56.46 1a49 n LYS 205 Cb 0.53 -5.23 -0.05 0.00 -0.02 0.00 0.00 35.03 30.26 1a49 n LYS 205 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1a49 s LYS 206 N -5.95 4.01 0.44 1.97 -0.14 -1.26 -4.50 119.74 114.30 1a49 s LYS 206 Ca 0.42 0.77 -0.23 0.00 -1.36 0.00 0.00 55.97 55.57 1a49 s LYS 206 Cb -0.19 -2.33 -0.09 0.00 -1.68 0.00 0.00 37.83 33.55 1a49 s LYS 206 CO 0.59 0.03 1.06 0.20 -0.76 0.00 0.00 175.35 176.47 1a49 s GLY 207 N -2.50 2.66 -0.11 -3.33 0.00 -1.26 -0.97 107.32 101.81 1a49 s GLY 207 Ca 0.56 0.69 0.03 0.00 0.00 0.00 0.00 44.72 46.01 1a49 s GLY 207 CO 0.20 1.09 -0.23 0.14 0.00 0.00 0.00 173.10 174.31 1a49 s VAL 208 N -1.76 2.16 -0.05 1.40 1.01 0.38 -1.37 120.40 122.18 1a49 s VAL 208 Ca 0.62 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.68 1a49 s VAL 208 Cb -0.21 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 1a49 s VAL 208 CO 0.26 0.55 -0.22 0.20 0.00 0.00 0.00 175.10 175.89 1a49 s ASN 209 N 0.41 2.72 -0.58 3.32 0.01 -0.22 -4.11 114.94 116.49 1a49 s ASN 209 Ca -0.17 -0.45 0.06 0.00 -0.71 0.00 0.00 52.86 51.59 1a49 s ASN 209 Cb -0.17 -0.72 0.22 0.00 0.41 0.00 0.00 41.25 40.99 1a49 s ASN 209 CO 0.07 0.22 0.57 0.18 -1.51 0.00 0.00 177.10 176.63 1a49 n LEU 210 N 2.98 2.23 -4.57 0.60 7.99 -1.26 -2.34 117.00 122.64 1a49 n LEU 210 Ca -0.17 -5.08 -0.45 0.00 -0.01 0.00 0.00 56.01 50.30 1a49 n LEU 210 Cb 0.52 -0.26 -0.04 0.00 -0.11 0.00 0.00 43.42 43.54 1a49 n LEU 210 CO 0.25 1.95 1.84 -0.81 -1.51 0.00 0.00 177.39 179.11 1a49 n PRO 211 N 1.55 1.77 0.00 3.23 -0.05 -1.26 -0.57 135.00 139.68 1a49 n PRO 211 Ca 0.25 0.49 0.00 0.00 -0.05 0.00 0.00 63.50 64.19 1a49 n PRO 211 Cb 0.43 -3.05 0.00 0.00 -0.05 0.00 0.00 33.50 30.82 1a49 n PRO 211 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1a49 n GLY 212 N 5.92 2.21 3.50 0.55 0.00 -1.26 -5.08 105.19 111.03 1a49 n GLY 212 Ca 0.32 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 1a49 n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a49 n ALA 213 N -0.41 -2.64 -2.83 4.61 0.00 0.26 -4.95 120.51 114.55 1a49 n ALA 213 Ca 0.00 -1.10 -0.29 0.00 0.00 0.00 0.00 53.44 52.05 1a49 n ALA 213 Cb 0.00 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 17.41 1a49 n ALA 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a49 n ALA 214 N -4.88 4.95 -1.77 0.00 0.00 -1.26 -5.02 120.51 112.52 1a49 n ALA 214 Ca 0.04 -4.64 -0.37 0.00 0.00 0.00 0.00 53.44 48.47 1a49 n ALA 214 Cb 0.54 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 19.06 1a49 n ALA 214 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1a49 s VAL 215 N -4.59 3.17 -0.54 0.00 -7.23 -1.26 -4.97 120.40 104.99 1a49 s VAL 215 Ca 0.48 0.87 0.01 0.00 -1.81 0.00 0.00 61.98 61.53 1a49 s VAL 215 Cb 0.28 -3.43 0.14 0.00 0.56 0.00 0.00 36.38 33.93 1a49 s VAL 215 CO -0.15 -0.02 0.30 1.51 -0.31 0.00 0.00 175.10 176.43 1a49 s ASP 216 N -1.42 4.71 -0.11 4.85 1.47 -1.26 -5.06 116.67 119.85 1a49 s ASP 216 Ca 0.64 -2.86 0.01 0.00 1.18 0.00 0.00 52.55 51.53 1a49 s ASP 216 Cb -0.27 -1.72 -0.01 0.00 -0.34 0.00 0.00 42.92 40.57 1a49 s ASP 216 CO 0.33 -0.30 -0.16 -0.76 0.68 0.00 0.00 175.17 174.96 1a49 s LEU 217 N -0.07 2.57 0.45 2.11 1.43 -1.26 -5.08 118.68 118.83 1a49 s LEU 217 Ca 0.16 -0.37 -0.23 0.00 -1.03 0.00 0.00 54.13 52.66 1a49 s LEU 217 Cb -0.23 -1.55 -0.10 0.00 0.03 0.00 0.00 46.19 44.33 1a49 s LEU 217 CO -0.02 0.19 0.93 -0.81 0.23 0.00 0.00 176.35 176.87 1a49 n PRO 218 N 3.36 1.17 0.23 1.29 -0.04 -1.26 -4.87 135.00 134.88 1a49 n PRO 218 Ca -0.18 0.42 0.07 0.00 -0.04 0.00 0.00 63.50 63.77 1a49 n PRO 218 Cb 0.53 -1.98 0.56 0.00 -0.04 0.00 0.00 33.50 32.57 1a49 n PRO 218 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a49 h ALA 219 N 1.27 1.59 -2.85 0.55 0.00 -1.98 -3.38 119.26 114.45 1a49 h ALA 219 Ca -0.44 -0.15 -0.61 0.00 0.00 0.00 0.00 54.91 53.71 1a49 h ALA 219 Cb 1.35 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.71 1a49 h ALA 219 CO 0.55 0.21 -0.77 0.08 0.00 0.00 0.00 179.25 179.33 1a49 s VAL 220 N -4.53 1.31 0.93 0.00 1.01 -1.26 -4.63 120.40 113.23 1a49 s VAL 220 Ca -0.04 -2.75 -0.16 0.00 0.00 0.00 0.00 61.98 59.03 1a49 s VAL 220 Cb 0.15 -1.91 -0.14 0.00 0.00 0.00 0.00 36.38 34.48 1a49 s VAL 220 CO 0.67 -0.98 -0.77 -1.20 0.00 0.00 0.00 175.10 172.82 1a49 n SER 221 N 3.22 -5.55 -0.08 3.32 7.64 -1.26 -4.73 113.62 116.18 1a49 n SER 221 Ca 0.15 0.16 -0.13 0.00 1.01 0.00 0.00 58.87 60.06 1a49 n SER 221 Cb 0.37 -0.70 -0.05 0.00 -1.01 0.00 0.00 64.21 62.82 1a49 n SER 221 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1a49 h GLU 222 N -0.93 0.53 -0.55 1.43 5.08 -2.00 -2.52 114.58 115.63 1a49 h GLU 222 Ca -0.41 -0.25 0.11 0.00 -1.00 0.00 0.00 59.36 57.81 1a49 h GLU 222 Cb 1.21 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.36 1a49 h GLU 222 CO 0.21 0.83 0.01 0.87 -1.00 0.00 0.00 179.01 179.93 1a49 h LYS 223 N 0.23 0.13 -0.64 2.33 1.57 -1.99 -1.09 116.57 117.12 1a49 h LYS 223 Ca 0.05 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.95 1a49 h LYS 223 Cb 0.70 -0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.87 1a49 h LYS 223 CO 0.05 0.08 -0.00 -0.44 -0.57 0.00 0.00 179.45 178.57 1a49 h ASP 224 N 0.13 -0.29 -0.82 0.86 3.32 -1.77 1.13 116.42 118.99 1a49 h ASP 224 Ca 0.28 0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.46 1a49 h ASP 224 Cb 0.43 0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.22 1a49 h ASP 224 CO -0.45 -0.12 0.42 0.40 -1.72 0.00 0.00 179.24 177.77 1a49 h ILE 225 N 0.11 1.25 0.43 0.35 2.04 -1.04 1.34 117.51 121.99 1a49 h ILE 225 Ca 0.33 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1a49 h ILE 225 Cb 0.54 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1a49 h ILE 225 CO -0.55 0.29 -0.45 1.56 0.00 0.00 0.00 178.15 179.01 1a49 h GLN 226 N 1.17 -0.85 -0.65 2.37 4.20 0.13 0.50 115.11 121.99 1a49 h GLN 226 Ca 0.29 0.06 0.09 0.00 0.06 0.00 0.00 58.65 59.14 1a49 h GLN 226 Cb 0.08 0.19 -0.07 0.00 0.30 0.00 0.00 27.48 27.99 1a49 h GLN 226 CO -0.04 -0.57 0.30 -0.44 -0.67 0.00 0.00 178.83 177.41 1a49 h ASP 227 N -0.88 0.37 -0.18 1.46 3.32 0.15 -1.23 116.42 119.43 1a49 h ASP 227 Ca -0.05 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.09 1a49 h ASP 227 Cb 0.77 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 1a49 h ASP 227 CO -0.06 0.22 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.60 1a49 h LEU 228 N 0.52 -0.07 -1.41 1.55 3.38 0.24 -0.98 115.31 118.55 1a49 h LEU 228 Ca 0.32 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.28 1a49 h LEU 228 Cb 0.34 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1a49 h LEU 228 CO -0.26 -0.01 -0.20 0.11 0.09 0.00 0.00 178.44 178.16 1a49 h LYS 229 N 0.05 0.00 -0.39 1.13 1.79 0.48 -2.36 116.57 117.27 1a49 h LYS 229 Ca 0.08 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.42 1a49 h LYS 229 Cb 0.10 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1a49 h LYS 229 CO -0.14 0.20 -0.29 0.35 -1.08 0.00 0.00 179.45 178.49 1a49 h PHE 230 N 0.00 1.04 -0.78 -1.35 3.57 -0.26 -0.62 116.94 118.54 1a49 h PHE 230 Ca -0.00 -0.29 0.01 0.00 3.53 0.00 0.00 57.97 61.22 1a49 h PHE 230 Cb 0.60 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 1a49 h PHE 230 CO 0.00 1.09 0.51 0.78 -2.23 0.00 0.00 178.31 178.46 1a49 h GLY 231 N 0.69 1.09 1.07 2.40 0.00 -0.78 0.82 103.07 108.35 1a49 h GLY 231 Ca 0.07 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 1a49 h GLY 231 CO 0.08 0.38 -0.18 -2.08 0.00 0.00 0.00 176.54 174.75 1a49 h VAL 232 N 1.03 1.27 -0.81 4.60 2.07 -1.12 -1.67 116.25 121.62 1a49 h VAL 232 Ca 0.29 -1.32 0.06 0.00 0.82 0.00 0.00 66.70 66.55 1a49 h VAL 232 Cb -0.09 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 1a49 h VAL 232 CO -0.07 0.45 0.53 -0.33 0.02 0.00 0.00 177.57 178.18 1a49 h GLU 233 N 0.77 0.86 -0.11 1.57 5.08 0.10 -1.38 114.58 121.47 1a49 h GLU 233 Ca 0.11 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1a49 h GLU 233 Cb 0.74 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1a49 h GLU 233 CO 0.06 0.57 0.00 1.04 -1.00 0.00 0.00 179.01 179.68 1a49 n GLN 234 N -4.48 1.46 -3.70 2.33 1.13 0.25 -4.93 117.38 109.44 1a49 n GLN 234 Ca 0.12 -0.69 -0.23 0.00 -1.94 0.00 0.00 57.00 54.26 1a49 n GLN 234 Cb 0.21 -1.34 0.05 0.00 0.11 0.00 0.00 30.24 29.27 1a49 n GLN 234 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1a49 n ASP 235 N -0.07 -2.88 -4.66 1.08 -0.08 -0.52 -4.94 116.55 104.47 1a49 n ASP 235 Ca 0.15 -0.74 -0.29 0.00 -1.51 0.00 0.00 54.79 52.39 1a49 n ASP 235 Cb 0.23 -4.32 0.17 0.00 2.34 0.00 0.00 41.12 39.54 1a49 n ASP 235 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1a49 s VAL 236 N -3.48 2.32 -0.15 5.18 -7.23 -0.68 -4.95 120.40 111.41 1a49 s VAL 236 Ca 0.24 0.11 0.17 0.00 -1.81 0.00 0.00 61.98 60.69 1a49 s VAL 236 Cb -0.12 -2.50 -0.25 0.00 0.56 0.00 0.00 36.38 34.08 1a49 s VAL 236 CO 0.79 -0.14 0.15 0.47 -0.31 0.00 0.00 175.10 176.06 1a49 n ASP 237 N -4.18 0.40 -3.78 4.85 8.00 -0.24 -4.90 116.55 116.70 1a49 n ASP 237 Ca 0.06 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.47 1a49 n ASP 237 Cb 0.56 1.17 -0.04 0.00 -0.02 0.00 0.00 41.12 42.79 1a49 n ASP 237 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a49 s MET 238 N -2.66 1.45 -0.11 -1.24 0.23 -1.16 -2.81 119.30 112.99 1a49 s MET 238 Ca -0.09 -0.93 0.02 0.00 -1.03 0.00 0.00 55.69 53.67 1a49 s MET 238 Cb 0.07 0.52 0.01 0.00 -1.53 0.00 0.00 34.83 33.91 1a49 s MET 238 CO 0.78 -0.62 -0.16 0.08 -2.03 0.00 0.00 175.02 173.07 1a49 s VAL 239 N -3.90 1.58 -0.68 5.16 1.01 0.96 -2.35 120.40 122.17 1a49 s VAL 239 Ca 0.11 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.20 1a49 s VAL 239 Cb -0.01 -1.43 0.11 0.00 0.00 0.00 0.00 36.38 35.04 1a49 s VAL 239 CO -0.00 0.46 0.85 -0.36 0.00 0.00 0.00 175.10 176.04 1a49 s PHE 240 N 0.95 2.98 -0.75 5.22 0.08 -0.21 -0.50 117.98 125.76 1a49 s PHE 240 Ca -0.07 -1.00 -0.25 0.00 0.12 0.00 0.00 56.93 55.74 1a49 s PHE 240 Cb -0.15 -4.12 0.05 0.00 -0.57 0.00 0.00 43.02 38.23 1a49 s PHE 240 CO -0.01 -1.40 1.17 0.00 -0.10 0.00 0.00 175.22 174.88 1a49 s ALA 241 N 2.88 2.91 0.49 5.36 0.00 -0.89 -1.40 121.76 131.11 1a49 s ALA 241 Ca 0.18 -1.70 -0.23 0.00 0.00 0.00 0.00 51.96 50.21 1a49 s ALA 241 Cb -0.18 -4.13 -0.07 0.00 0.00 0.00 0.00 23.12 18.74 1a49 s ALA 241 CO 0.04 -3.12 1.33 0.43 0.00 0.00 0.00 175.76 174.43 1a49 n SER 242 N 8.58 2.67 -4.21 0.00 7.64 -1.26 -0.91 113.62 126.13 1a49 n SER 242 Ca 0.04 1.04 -0.34 0.00 1.01 0.00 0.00 58.87 60.62 1a49 n SER 242 Cb 0.48 -1.55 -0.04 0.00 -1.01 0.00 0.00 64.21 62.09 1a49 n SER 242 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1a49 n PHE 243 N -0.64 -1.60 -2.09 1.43 3.72 -1.24 -4.63 117.46 112.41 1a49 n PHE 243 Ca 0.08 0.75 -0.42 0.00 -0.05 0.00 0.00 57.45 57.82 1a49 n PHE 243 Cb 0.43 -3.00 -0.03 0.00 -0.94 0.00 0.00 39.48 35.94 1a49 n PHE 243 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1a49 s ILE 244 N -3.58 2.96 -0.01 4.37 -1.09 -0.89 -4.83 121.20 118.14 1a49 s ILE 244 Ca 0.49 0.75 0.02 0.00 -2.23 0.00 0.00 60.65 59.67 1a49 s ILE 244 Cb -0.27 -3.48 -0.03 0.00 -1.58 0.00 0.00 42.46 37.10 1a49 s ILE 244 CO 0.94 0.09 0.04 0.54 -1.23 0.00 0.00 174.94 175.31 1a49 n ARG 245 N 3.18 1.00 -3.92 2.79 1.74 -1.26 -4.35 116.66 115.84 1a49 n ARG 245 Ca 0.09 -0.01 -0.08 0.00 -0.77 0.00 0.00 57.85 57.07 1a49 n ARG 245 Cb 0.41 -1.05 -0.04 0.00 -1.02 0.00 0.00 32.46 30.76 1a49 n ARG 245 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1a49 s LYS 246 N -2.12 1.60 0.39 5.56 -2.85 -1.26 -4.45 119.74 116.61 1a49 s LYS 246 Ca -0.01 -1.12 0.06 0.00 -1.00 0.00 0.00 55.97 53.90 1a49 s LYS 246 Cb 0.01 0.52 0.80 0.00 -2.06 0.00 0.00 37.83 37.10 1a49 s LYS 246 CO 0.09 -0.69 2.03 0.00 0.10 0.00 0.00 175.35 176.88 1a49 h ALA 247 N 2.17 1.68 -0.66 0.59 0.00 -1.87 -1.95 119.26 119.23 1a49 h ALA 247 Ca -0.24 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.71 1a49 h ALA 247 Cb 1.25 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 1a49 h ALA 247 CO 0.32 0.28 0.33 0.00 0.00 0.00 0.00 179.25 180.18 1a49 h ALA 248 N 1.69 0.88 -0.90 0.00 0.00 -1.93 0.69 119.26 119.69 1a49 h ALA 248 Ca 0.20 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.25 1a49 h ALA 248 Cb -0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 1a49 h ALA 248 CO -0.05 -0.04 0.58 -0.44 0.00 0.00 0.00 179.25 179.30 1a49 h ASP 249 N 0.59 0.80 -0.12 0.00 3.32 -1.74 -1.74 116.42 117.53 1a49 h ASP 249 Ca 0.31 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 1a49 h ASP 249 Cb 0.28 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1a49 h ASP 249 CO -0.23 0.47 0.03 0.58 -1.72 0.00 0.00 179.24 178.37 1a49 h VAL 250 N 0.89 1.20 -0.22 -1.35 2.07 -0.80 -3.04 116.25 115.00 1a49 h VAL 250 Ca 0.42 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1a49 h VAL 250 Cb 0.41 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1a49 h VAL 250 CO -0.18 0.18 0.14 0.45 0.02 0.00 0.00 177.57 178.19 1a49 h HIS 251 N -0.01 0.26 0.79 1.57 3.86 -0.70 -2.19 115.15 118.72 1a49 h HIS 251 Ca 0.04 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1a49 h HIS 251 Cb 0.26 -0.09 0.01 0.00 1.06 0.00 0.00 27.41 28.65 1a49 h HIS 251 CO 0.01 0.16 -0.38 0.93 0.86 0.00 0.00 177.93 179.51 1a49 h GLU 252 N 0.27 -1.02 -1.05 2.45 5.08 -1.33 -0.23 114.58 118.76 1a49 h GLU 252 Ca 0.08 0.07 0.27 0.00 -1.00 0.00 0.00 59.36 58.78 1a49 h GLU 252 Cb -0.00 0.23 -0.10 0.00 0.50 0.00 0.00 28.75 29.38 1a49 h GLU 252 CO -0.02 -0.68 0.67 0.28 -1.00 0.00 0.00 179.01 178.26 1a49 h VAL 253 N -1.09 0.51 -0.46 3.13 2.07 -1.42 2.60 116.25 121.59 1a49 h VAL 253 Ca -0.11 -0.14 -0.12 0.00 0.82 0.00 0.00 66.70 67.16 1a49 h VAL 253 Cb 0.81 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1a49 h VAL 253 CO 0.18 0.07 -0.18 -0.09 0.02 0.00 0.00 177.57 177.57 1a49 h ARG 254 N 0.40 0.90 0.07 1.57 9.65 -1.32 -0.67 114.38 124.98 1a49 h ARG 254 Ca 0.61 -0.36 -0.00 0.00 -1.10 0.00 0.00 59.98 59.13 1a49 h ARG 254 Cb 1.52 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 30.06 1a49 h ARG 254 CO -0.32 1.01 -0.03 -0.22 2.80 0.00 0.00 179.97 183.21 1a49 h LYS 255 N 0.79 -0.09 -0.20 0.20 3.64 0.61 -0.90 116.57 120.62 1a49 h LYS 255 Ca 0.11 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.55 1a49 h LYS 255 Cb 0.73 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.50 1a49 h LYS 255 CO 0.06 0.21 -0.27 0.82 -2.27 0.00 0.00 179.45 177.99 1a49 h ILE 256 N -0.39 0.35 -0.97 2.00 1.08 -0.11 -0.49 117.51 118.99 1a49 h ILE 256 Ca -0.01 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.68 1a49 h ILE 256 Cb 0.34 0.35 -0.08 0.00 -3.07 0.00 0.00 36.82 34.36 1a49 h ILE 256 CO 0.02 0.00 0.62 -0.07 -0.69 0.00 0.00 178.15 178.03 1a49 h LEU 257 N -0.30 0.50 0.00 1.44 4.07 -0.98 -3.47 115.31 116.57 1a49 h LEU 257 Ca 0.12 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.14 1a49 h LEU 257 Cb 0.49 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1a49 h LEU 257 CO -0.37 0.17 0.00 0.61 -1.08 0.00 0.00 178.44 177.77 1a49 n GLY 258 N -1.47 0.92 0.47 0.83 0.00 -0.20 -2.48 105.19 103.27 1a49 n GLY 258 Ca 0.22 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 1a49 n GLY 258 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a49 h GLU 259 N 0.00 -0.99 -0.89 1.61 4.39 -1.88 -2.59 114.58 114.24 1a49 h GLU 259 Ca 0.00 0.07 0.26 0.00 0.34 0.00 0.00 59.36 60.02 1a49 h GLU 259 Cb 0.00 0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 1a49 h GLU 259 CO 0.00 -0.66 1.08 0.87 -1.16 0.00 0.00 179.01 179.14 1a49 h LYS 260 N -1.02 0.00 -0.21 2.33 1.57 -1.97 0.22 116.57 117.49 1a49 h LYS 260 Ca -0.08 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.51 1a49 h LYS 260 Cb 0.85 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.91 1a49 h LYS 260 CO 0.03 0.00 -0.80 0.41 -0.57 0.00 0.00 179.45 178.52 1a49 n GLY 261 N -1.67 3.80 0.07 3.86 0.00 -1.04 -4.76 105.19 105.46 1a49 n GLY 261 Ca 0.20 -1.42 0.09 0.00 0.00 0.00 0.00 46.02 44.89 1a49 n GLY 261 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1a49 n LYS 262 N -0.53 0.10 0.00 1.61 2.85 0.77 -1.73 118.16 121.23 1a49 n LYS 262 Ca 0.19 0.40 0.11 0.00 -1.05 0.00 0.00 58.31 57.96 1a49 n LYS 262 Cb 0.89 -1.71 0.01 0.00 -0.65 0.00 0.00 35.03 33.57 1a49 n LYS 262 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1a49 n ASN 263 N -1.90 2.08 -4.79 -5.58 5.03 -1.26 -4.91 115.26 103.93 1a49 n ASN 263 Ca 0.02 -1.54 -0.36 0.00 0.87 0.00 0.00 54.58 53.57 1a49 n ASN 263 Cb 0.16 0.44 -0.04 0.00 -1.02 0.00 0.00 39.78 39.32 1a49 n ASN 263 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a49 s ILE 264 N -2.45 3.79 -0.18 2.41 -1.09 -0.71 -4.99 121.20 117.99 1a49 s ILE 264 Ca 0.19 1.32 -0.08 0.00 -2.23 0.00 0.00 60.65 59.84 1a49 s ILE 264 Cb 0.18 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.37 1a49 s ILE 264 CO 0.55 -0.05 0.09 -0.54 -1.23 0.00 0.00 174.94 173.76 1a49 s LYS 265 N -2.65 4.01 -0.32 2.79 -0.14 -1.12 -4.95 119.74 117.36 1a49 s LYS 265 Ca 0.59 -0.29 -0.14 0.00 -1.36 0.00 0.00 55.97 54.78 1a49 s LYS 265 Cb -0.20 -3.28 -0.02 0.00 -1.68 0.00 0.00 37.83 32.64 1a49 s LYS 265 CO 0.25 0.32 0.32 0.42 -0.76 0.00 0.00 175.35 175.91 1a49 s ILE 266 N 0.25 5.21 -0.48 2.17 1.01 -1.26 -0.03 121.20 128.08 1a49 s ILE 266 Ca 0.06 0.13 -0.10 0.00 0.00 0.00 0.00 60.65 60.74 1a49 s ILE 266 Cb -0.12 -3.74 0.12 0.00 0.01 0.00 0.00 42.46 38.73 1a49 s ILE 266 CO -0.00 0.02 0.36 -0.63 0.00 0.00 0.00 174.94 174.69 1a49 s ILE 267 N 1.95 4.34 0.11 2.92 1.09 0.34 0.11 121.20 132.07 1a49 s ILE 267 Ca 0.11 -1.73 -0.31 0.00 -1.10 0.00 0.00 60.65 57.62 1a49 s ILE 267 Cb -0.16 -3.84 -0.08 0.00 -1.06 0.00 0.00 42.46 37.32 1a49 s ILE 267 CO 0.11 -0.77 1.38 -0.44 -0.10 0.00 0.00 174.94 175.12 1a49 s SER 268 N 2.76 6.83 -0.23 3.58 0.01 -0.61 -2.10 113.70 123.94 1a49 s SER 268 Ca 0.05 2.32 -0.18 0.00 1.31 0.00 0.00 55.95 59.45 1a49 s SER 268 Cb -0.27 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.35 1a49 s SER 268 CO -0.00 -0.65 0.51 -0.54 0.41 0.00 0.00 173.24 172.97 1a49 s LYS 269 N 1.08 4.12 -0.41 12.44 1.02 -0.09 -0.66 119.74 137.24 1a49 s LYS 269 Ca 0.64 0.35 -0.17 0.00 0.02 0.00 0.00 55.97 56.81 1a49 s LYS 269 Cb -0.37 -3.61 0.02 0.00 -0.52 0.00 0.00 37.83 33.35 1a49 s LYS 269 CO 0.30 -0.25 0.40 0.42 -0.92 0.00 0.00 175.35 175.30 1a49 s ILE 270 N 1.98 5.14 -0.01 2.17 -1.09 -0.29 -2.09 121.20 127.01 1a49 s ILE 270 Ca 0.22 -0.38 0.01 0.00 -2.23 0.00 0.00 60.65 58.27 1a49 s ILE 270 Cb -0.15 -3.99 0.01 0.00 -1.58 0.00 0.00 42.46 36.75 1a49 s ILE 270 CO 0.09 -0.36 0.72 -1.84 -1.23 0.00 0.00 174.94 172.32 1a49 n GLU 271 N 5.47 0.82 -3.95 2.79 0.28 -1.26 -1.70 120.64 123.10 1a49 n GLU 271 Ca -0.08 -0.91 -0.09 0.00 -0.16 0.00 0.00 57.16 55.92 1a49 n GLU 271 Cb 0.47 -0.68 -0.08 0.00 1.43 0.00 0.00 31.44 32.59 1a49 n GLU 271 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1a49 s ASN 272 N -0.51 0.19 0.28 -1.84 2.20 -1.26 -2.68 114.94 111.31 1a49 s ASN 272 Ca 0.02 -0.81 0.01 0.00 -0.94 0.00 0.00 52.86 51.13 1a49 s ASN 272 Cb 0.01 0.33 0.60 0.00 -2.00 0.00 0.00 41.25 40.19 1a49 s ASN 272 CO 0.00 -0.74 1.76 -0.74 -2.94 0.00 0.00 177.10 174.44 1a49 h HIS 273 N 2.79 0.84 -0.78 1.54 -0.00 -1.94 -0.85 115.15 116.74 1a49 h HIS 273 Ca -0.34 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.13 1a49 h HIS 273 Cb 1.19 -0.24 -0.06 0.00 -0.00 0.00 0.00 27.41 28.31 1a49 h HIS 273 CO 0.44 0.18 0.46 1.49 -0.00 0.00 0.00 177.93 180.51 1a49 h GLU 274 N 0.65 0.82 -0.50 5.26 4.57 -1.95 0.36 114.58 123.78 1a49 h GLU 274 Ca 0.50 -0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 58.52 1a49 h GLU 274 Cb 0.74 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 1a49 h GLU 274 CO -0.38 0.54 -0.11 0.78 -1.18 0.00 0.00 179.01 178.67 1a49 h GLY 275 N 0.84 1.03 0.94 1.92 0.00 -1.49 0.99 103.07 107.30 1a49 h GLY 275 Ca 0.35 -0.84 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 1a49 h GLY 275 CO -0.19 0.77 -0.27 -2.08 0.00 0.00 0.00 176.54 174.77 1a49 h VAL 276 N 0.81 0.44 -0.46 4.60 2.07 -0.35 -1.67 116.25 121.68 1a49 h VAL 276 Ca 0.13 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.62 1a49 h VAL 276 Cb 0.66 0.49 -0.10 0.00 -1.52 0.00 0.00 31.29 30.82 1a49 h VAL 276 CO 0.05 0.02 -0.43 -0.09 0.02 0.00 0.00 177.57 177.13 1a49 h ARG 277 N -0.81 -0.28 -0.92 1.57 2.43 -0.20 0.21 114.38 116.37 1a49 h ARG 277 Ca -0.08 0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 58.96 1a49 h ARG 277 Cb 0.60 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 30.12 1a49 h ARG 277 CO 0.12 -0.19 0.19 0.54 -1.51 0.00 0.00 179.97 179.13 1a49 n ARG 278 N -5.41 2.08 -0.14 0.20 1.74 0.34 -4.64 116.66 110.83 1a49 n ARG 278 Ca 0.00 -1.46 -0.07 0.00 -0.77 0.00 0.00 57.85 55.56 1a49 n ARG 278 Cb 0.35 -1.68 -0.01 0.00 -1.02 0.00 0.00 32.46 30.11 1a49 n ARG 278 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1a49 h PHE 279 N 1.02 -0.88 -0.30 -1.55 3.57 0.41 -2.58 116.94 116.63 1a49 h PHE 279 Ca 0.19 0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.82 1a49 h PHE 279 Cb 1.63 0.45 -0.07 0.00 2.79 0.00 0.00 35.95 40.76 1a49 h PHE 279 CO 0.67 -0.38 -0.15 -0.44 -2.23 0.00 0.00 178.31 175.78 1a49 h ASP 280 N -0.22 -0.50 0.27 0.41 3.32 -1.82 -0.66 116.42 117.22 1a49 h ASP 280 Ca 0.19 0.12 -0.10 0.00 0.02 0.00 0.00 57.03 57.26 1a49 h ASP 280 Cb 0.53 0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 1a49 h ASP 280 CO -0.57 -0.19 -0.39 1.05 -1.72 0.00 0.00 179.24 177.42 1a49 h GLU 281 N -0.11 0.17 0.00 3.56 4.11 -1.86 -1.64 114.58 118.81 1a49 h GLU 281 Ca 0.15 -0.07 -0.00 0.00 0.07 0.00 0.00 59.36 59.51 1a49 h GLU 281 Cb 0.34 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1a49 h GLU 281 CO -0.37 0.54 -0.00 0.82 0.07 0.00 0.00 179.01 180.07 1a49 h ILE 282 N 0.14 1.07 -0.40 -1.06 2.04 -1.04 -2.69 117.51 115.57 1a49 h ILE 282 Ca 0.01 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.74 1a49 h ILE 282 Cb 0.76 1.21 -0.09 0.00 -0.74 0.00 0.00 36.82 37.96 1a49 h ILE 282 CO 0.06 0.05 -0.35 0.25 0.00 0.00 0.00 178.15 178.16 1a49 h LEU 283 N -0.09 -1.17 -2.51 1.44 6.46 -0.73 0.20 115.31 118.90 1a49 h LEU 283 Ca -0.00 0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1a49 h LEU 283 Cb 0.09 0.54 -0.00 0.00 -0.73 0.00 0.00 40.66 40.56 1a49 h LEU 283 CO 0.00 -0.33 -0.02 1.05 -0.62 0.00 0.00 178.44 178.52 1a49 h GLU 284 N -0.27 0.00 0.05 1.25 -0.00 -1.26 -2.43 114.58 111.91 1a49 h GLU 284 Ca 0.17 0.00 -0.30 0.00 -0.00 0.00 0.00 59.36 59.22 1a49 h GLU 284 Cb 0.55 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.27 1a49 h GLU 284 CO -0.55 0.02 -1.67 0.00 -0.00 0.00 0.00 179.01 176.81 1a49 h ALA 285 N 1.98 0.57 -2.34 1.06 0.00 -0.38 -3.48 119.26 116.69 1a49 h ALA 285 Ca -0.00 -1.34 -0.45 0.00 0.00 0.00 0.00 54.91 53.12 1a49 h ALA 285 Cb 0.05 0.44 0.15 0.00 0.00 0.00 0.00 17.79 18.43 1a49 h ALA 285 CO 0.00 1.42 0.29 -1.12 0.00 0.00 0.00 179.25 179.84 1a49 s SER 286 N -6.51 2.99 0.02 0.00 0.01 0.07 -4.96 113.70 105.32 1a49 s SER 286 Ca -0.09 0.80 0.22 0.00 1.31 0.00 0.00 55.95 58.20 1a49 s SER 286 Cb 0.08 -1.24 -0.19 0.00 0.21 0.00 0.00 66.02 64.88 1a49 s SER 286 CO 0.82 -2.86 0.75 0.47 0.41 0.00 0.00 173.24 172.84 1a49 n ASP 287 N -3.94 0.43 -3.68 2.44 8.00 0.12 -4.96 116.55 114.95 1a49 n ASP 287 Ca 0.09 -0.21 0.01 0.00 0.71 0.00 0.00 54.79 55.39 1a49 n ASP 287 Cb 0.59 1.35 0.01 0.00 -0.02 0.00 0.00 41.12 43.05 1a49 n ASP 287 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1a49 s GLY 288 N -4.00 -0.12 0.11 0.44 0.00 -1.11 -4.32 107.32 98.33 1a49 s GLY 288 Ca -0.01 0.06 -0.00 0.00 0.00 0.00 0.00 44.72 44.77 1a49 s GLY 288 CO 0.86 3.77 0.01 -0.42 0.00 0.00 0.00 173.10 177.32 1a49 s ILE 289 N -2.16 0.33 -0.05 0.90 -1.09 -0.10 -1.57 121.20 117.47 1a49 s ILE 289 Ca 0.25 -1.90 -0.00 0.00 -2.23 0.00 0.00 60.65 56.76 1a49 s ILE 289 Cb -0.00 -1.88 0.03 0.00 -1.58 0.00 0.00 42.46 39.03 1a49 s ILE 289 CO 0.00 -0.66 -0.00 -0.32 -1.23 0.00 0.00 174.94 172.73 1a49 s MET 290 N -3.96 0.50 -0.72 2.79 -2.45 0.16 -1.19 119.30 114.43 1a49 s MET 290 Ca 0.18 0.07 -0.25 0.00 -1.25 0.00 0.00 55.69 54.44 1a49 s MET 290 Cb 0.07 -0.73 0.05 0.00 1.25 0.00 0.00 34.83 35.47 1a49 s MET 290 CO -0.02 -0.19 1.15 0.08 1.05 0.00 0.00 175.02 177.09 1a49 s VAL 291 N 1.40 4.00 -0.88 10.11 1.01 -0.29 -1.13 120.40 134.62 1a49 s VAL 291 Ca -0.04 0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 1a49 s VAL 291 Cb -0.13 -4.82 0.16 0.00 0.00 0.00 0.00 36.38 31.59 1a49 s VAL 291 CO -0.03 -1.69 0.98 0.00 0.00 0.00 0.00 175.10 174.36 1a49 s ALA 292 N 4.96 3.65 0.11 5.51 0.00 -0.69 -2.33 121.76 132.97 1a49 s ALA 292 Ca 0.30 -2.97 0.28 0.00 0.00 0.00 0.00 51.96 49.57 1a49 s ALA 292 Cb -0.11 -3.83 1.11 0.00 0.00 0.00 0.00 23.12 20.29 1a49 s ALA 292 CO 0.12 -2.69 1.90 0.00 0.00 0.00 0.00 175.76 175.08 1a49 h ARG 293 N 8.43 0.00 1.00 0.00 3.08 -1.83 -2.87 114.38 122.20 1a49 h ARG 293 Ca 0.13 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 1a49 h ARG 293 Cb 1.03 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.09 1a49 h ARG 293 CO 0.97 0.12 -0.48 0.78 -1.07 0.00 0.00 179.97 180.29 1a49 h GLY 294 N 2.08 -1.40 0.94 0.04 0.00 -1.87 0.11 103.07 102.98 1a49 h GLY 294 Ca -0.00 0.52 -0.03 0.00 0.00 0.00 0.00 47.33 47.81 1a49 h GLY 294 CO 0.02 -0.51 -0.32 -0.55 0.00 0.00 0.00 176.54 175.18 1a49 h ASP 295 N -1.35 -0.76 -1.02 0.19 3.32 -1.87 -2.85 116.42 112.08 1a49 h ASP 295 Ca -0.14 0.01 0.34 0.00 0.02 0.00 0.00 57.03 57.26 1a49 h ASP 295 Cb 1.03 0.20 -0.15 0.00 0.22 0.00 0.00 39.33 40.62 1a49 h ASP 295 CO 0.22 -0.50 0.58 0.25 -1.72 0.00 0.00 179.24 178.08 1a49 h LEU 296 N -0.97 0.47 -0.54 1.55 5.85 -1.28 0.65 115.31 121.04 1a49 h LEU 296 Ca -0.09 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1a49 h LEU 296 Cb 0.71 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1a49 h LEU 296 CO 0.15 -0.19 0.00 0.61 -0.34 0.00 0.00 178.44 178.67 1a49 n GLY 297 N -1.30 -1.23 0.21 3.75 0.00 0.38 -0.90 105.19 106.11 1a49 n GLY 297 Ca 0.33 0.06 -0.19 0.00 0.00 0.00 0.00 46.02 46.22 1a49 n GLY 297 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1a49 n ILE 298 N -2.08 1.18 -0.33 -0.61 0.13 0.22 -4.13 119.36 113.73 1a49 n ILE 298 Ca 0.02 -0.37 0.19 0.00 -1.10 0.00 0.00 62.75 61.49 1a49 n ILE 298 Cb 0.22 -1.50 0.43 0.00 -0.84 0.00 0.00 39.64 37.95 1a49 n ILE 298 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1a49 h GLU 299 N -0.39 0.51 -5.24 9.51 4.39 -1.27 -3.43 114.58 118.67 1a49 h GLU 299 Ca -0.50 -0.03 -0.56 0.00 0.34 0.00 0.00 59.36 58.61 1a49 h GLU 299 Cb 1.59 -0.12 -0.13 0.00 -0.10 0.00 0.00 28.75 29.99 1a49 h GLU 299 CO -0.20 0.34 -0.57 0.96 -1.16 0.00 0.00 179.01 178.38 1a49 s ILE 300 N -5.66 1.16 0.19 3.13 -4.36 -0.08 -4.81 121.20 110.77 1a49 s ILE 300 Ca -0.10 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 57.98 1a49 s ILE 300 Cb 0.26 -2.60 -0.10 0.00 1.25 0.00 0.00 42.46 41.28 1a49 s ILE 300 CO 0.80 0.00 1.48 -2.84 0.24 0.00 0.00 174.94 174.62 1a49 s PRO 301 N -3.81 4.26 0.18 0.37 0.02 -1.26 -4.67 135.00 130.08 1a49 s PRO 301 Ca 0.27 2.28 -0.19 0.00 0.02 0.00 0.00 61.00 63.39 1a49 s PRO 301 Cb 0.06 -3.15 0.12 0.00 0.02 0.00 0.00 34.50 31.55 1a49 s PRO 301 CO 0.13 -0.50 1.62 0.00 -0.33 0.00 0.00 177.00 177.93 1a49 h ALA 302 N 6.10 0.09 0.00 -1.55 0.00 -1.91 0.28 119.26 122.27 1a49 h ALA 302 Ca -0.44 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1a49 h ALA 302 Cb 1.21 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1a49 h ALA 302 CO 0.85 -0.58 0.00 -0.85 0.00 0.00 0.00 179.25 178.68 1a49 n GLU 303 N -5.40 0.00 -0.00 0.00 0.00 -1.26 -0.39 120.64 113.58 1a49 n GLU 303 Ca 0.03 0.06 0.04 0.00 0.00 0.00 0.00 57.16 57.29 1a49 n GLU 303 Cb 0.32 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.20 1a49 n GLU 303 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1a49 n LYS 304 N -1.03 3.73 -0.34 3.44 5.02 0.97 -4.70 118.16 125.25 1a49 n LYS 304 Ca 0.00 -0.01 0.10 0.00 -2.02 0.00 0.00 58.31 56.38 1a49 n LYS 304 Cb 0.00 -0.93 0.29 0.00 -0.02 0.00 0.00 35.03 34.37 1a49 n LYS 304 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a49 h VAL 305 N 0.00 0.85 0.00 -0.18 2.07 -0.63 -2.18 116.25 116.18 1a49 h VAL 305 Ca 0.00 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1a49 h VAL 305 Cb 0.22 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1a49 h VAL 305 CO 0.00 0.16 -0.17 2.19 0.02 0.00 0.00 177.57 179.77 1a49 h PHE 306 N 0.88 0.00 0.04 1.57 -5.15 -1.84 0.41 116.94 112.85 1a49 h PHE 306 Ca 0.51 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 58.28 1a49 h PHE 306 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.82 1a49 h PHE 306 CO -0.00 0.17 -0.02 -0.07 -2.00 0.00 0.00 178.31 176.39 1a49 h LEU 307 N 0.00 -0.04 -0.17 2.10 3.38 -1.74 0.22 115.31 119.05 1a49 h LEU 307 Ca -0.00 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.59 1a49 h LEU 307 Cb 0.40 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1a49 h LEU 307 CO 0.02 0.40 -0.06 0.00 0.09 0.00 0.00 178.44 178.90 1a49 h ALA 308 N 0.43 0.10 -0.25 1.53 0.00 -1.02 0.32 119.26 120.38 1a49 h ALA 308 Ca -0.01 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1a49 h ALA 308 Cb 0.46 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1a49 h ALA 308 CO 0.01 -0.49 -0.21 0.37 0.00 0.00 0.00 179.25 178.93 1a49 h GLN 309 N -0.02 -0.20 -0.31 0.00 4.15 -0.11 0.96 115.11 119.58 1a49 h GLN 309 Ca 0.09 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 1a49 h GLN 309 Cb 0.16 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1a49 h GLN 309 CO -0.19 -0.13 0.05 0.87 -1.93 0.00 0.00 178.83 177.50 1a49 h LYS 310 N -0.20 0.51 -0.07 1.69 1.57 -0.02 0.41 116.57 120.46 1a49 h LYS 310 Ca 0.14 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1a49 h LYS 310 Cb 0.41 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 1a49 h LYS 310 CO -0.37 0.61 -0.14 1.98 -0.57 0.00 0.00 179.45 180.96 1a49 h MET 311 N 0.34 -0.19 -0.25 3.15 4.05 -0.65 0.24 114.93 121.61 1a49 h MET 311 Ca 0.09 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.53 1a49 h MET 311 Cb 0.34 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 1a49 h MET 311 CO 0.01 -0.13 0.17 0.82 0.23 0.00 0.00 176.91 178.00 1a49 h ILE 312 N -0.20 1.06 -0.38 1.77 2.04 0.13 -2.18 117.51 119.75 1a49 h ILE 312 Ca 0.07 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1a49 h ILE 312 Cb 0.30 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1a49 h ILE 312 CO -0.19 0.06 0.20 0.40 0.00 0.00 0.00 178.15 178.63 1a49 h ILE 313 N 0.34 1.00 -0.29 -0.67 2.04 0.71 -1.96 117.51 118.68 1a49 h ILE 313 Ca 0.09 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.88 1a49 h ILE 313 Cb -0.04 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 36.52 1a49 h ILE 313 CO -0.02 0.08 -0.22 1.23 0.00 0.00 0.00 178.15 179.22 1a49 h GLY 314 N 0.42 -0.06 2.00 5.37 0.00 -0.45 -1.13 103.07 109.21 1a49 h GLY 314 Ca 0.16 0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.71 1a49 h GLY 314 CO -0.09 -0.19 -0.20 3.21 0.00 0.00 0.00 176.54 179.26 1a49 h ARG 315 N -0.19 0.00 -0.12 4.80 3.08 -1.07 0.16 114.38 121.03 1a49 h ARG 315 Ca 0.15 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.00 1a49 h ARG 315 Cb 0.43 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.49 1a49 h ARG 315 CO -0.41 0.20 -0.71 0.00 -1.07 0.00 0.00 179.97 177.98 1a49 h ASN 317 N 0.39 0.64 -0.69 0.00 -0.26 -0.97 1.14 115.58 115.83 1a49 h ASN 317 Ca -0.05 -0.41 0.06 0.00 -0.56 0.00 0.00 56.30 55.33 1a49 h ASN 317 Cb 1.35 -0.18 -0.06 0.00 -1.06 0.00 0.00 38.32 38.38 1a49 h ASN 317 CO 0.15 0.92 0.39 -0.09 -1.06 0.00 0.00 177.43 177.74 1a49 h ARG 318 N 0.37 0.71 0.00 0.81 2.43 -0.65 0.44 114.38 118.48 1a49 h ARG 318 Ca 0.06 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1a49 h ARG 318 Cb 0.68 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1a49 h ARG 318 CO 0.05 0.47 -0.04 0.00 -1.51 0.00 0.00 179.97 178.93 1a49 h ALA 319 N 1.35 0.97 -1.62 2.80 0.00 0.15 -3.46 119.26 119.46 1a49 h ALA 319 Ca 0.31 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 1a49 h ALA 319 Cb 0.18 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.99 1a49 h ALA 319 CO -0.18 0.00 -0.17 0.41 0.00 0.00 0.00 179.25 179.31 1a49 n GLY 320 N 1.24 0.34 3.23 0.00 0.00 0.34 -5.03 105.19 105.31 1a49 n GLY 320 Ca 0.05 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 1a49 n GLY 320 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a49 s LYS 321 N -4.85 1.57 0.33 1.61 1.02 0.16 -4.99 119.74 114.60 1a49 s LYS 321 Ca 0.09 -0.81 -0.28 0.00 0.02 0.00 0.00 55.97 54.99 1a49 s LYS 321 Cb -0.04 -1.57 -0.13 0.00 -0.52 0.00 0.00 37.83 35.57 1a49 s LYS 321 CO 0.11 0.42 1.18 -0.35 -0.92 0.00 0.00 175.35 175.79 1a49 n PRO 322 N 2.32 1.83 -4.19 -1.68 -0.05 -1.26 -4.29 135.00 127.67 1a49 n PRO 322 Ca -0.16 0.64 -0.17 0.00 -0.05 0.00 0.00 63.50 63.76 1a49 n PRO 322 Cb 0.53 -2.16 -0.15 0.00 -0.05 0.00 0.00 33.50 31.67 1a49 n PRO 322 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 1a49 s VAL 323 N -1.10 0.49 -0.15 0.52 0.11 -1.26 -0.92 120.40 118.09 1a49 s VAL 323 Ca 0.57 -0.22 -0.03 0.00 -2.93 0.00 0.00 61.98 59.38 1a49 s VAL 323 Cb -0.61 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 33.78 1a49 s VAL 323 CO 0.61 0.16 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.84 1a49 s ILE 324 N 0.14 3.61 -0.25 7.04 1.01 -0.33 -1.31 121.20 131.11 1a49 s ILE 324 Ca -0.01 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 1a49 s ILE 324 Cb -0.06 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 1a49 s ILE 324 CO -0.00 0.50 0.24 0.00 0.00 0.00 0.00 174.94 175.68 1a49 s ALA 326 N 1.48 2.10 0.01 0.00 0.00 -0.98 -1.98 121.76 122.38 1a49 s ALA 326 Ca 0.10 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.41 1a49 s ALA 326 Cb -0.15 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1a49 s ALA 326 CO 0.08 0.12 0.00 2.41 0.00 0.00 0.00 175.76 178.37 1a49 n THR 327 N -0.29 -1.11 -1.34 0.00 -1.04 -1.26 -3.40 114.28 105.83 1a49 n THR 327 Ca -0.09 0.05 -0.12 0.00 -2.04 0.00 0.00 64.05 61.86 1a49 n THR 327 Cb 0.60 -1.07 -0.05 0.00 -1.82 0.00 0.00 70.33 67.99 1a49 n THR 327 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a49 n GLN 328 N -0.47 -1.69 -0.21 -2.82 6.02 -1.26 -4.79 117.38 112.16 1a49 n GLN 328 Ca 0.00 0.91 -0.07 0.00 -0.01 0.00 0.00 57.00 57.83 1a49 n GLN 328 Cb 0.00 -5.34 0.03 0.00 1.02 0.00 0.00 30.24 25.95 1a49 n GLN 328 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1a49 h MET 329 N 0.00 0.87 -0.07 -1.09 2.86 -1.89 -3.11 114.93 112.51 1a49 h MET 329 Ca -0.24 -0.14 -0.10 0.00 -2.06 0.00 0.00 59.70 57.16 1a49 h MET 329 Cb 1.20 -0.15 -0.16 0.00 0.06 0.00 0.00 31.60 32.54 1a49 h MET 329 CO 0.35 0.72 -0.71 1.28 1.06 0.00 0.00 176.91 179.61 1a49 n LEU 330 N -4.51 2.32 -0.27 1.22 4.32 -1.26 -4.52 117.00 114.29 1a49 n LEU 330 Ca 0.04 -3.36 0.01 0.00 -0.02 0.00 0.00 56.01 52.67 1a49 n LEU 330 Cb 0.14 -0.32 0.05 0.00 -1.62 0.00 0.00 43.42 41.67 1a49 n LEU 330 CO 0.38 1.17 0.44 1.21 -1.22 0.00 0.00 177.39 179.38 1a49 n GLU 331 N -0.58 -0.14 -0.24 3.23 4.07 -1.18 -1.81 120.64 123.99 1a49 n GLU 331 Ca 0.16 1.12 0.20 0.00 -0.06 0.00 0.00 57.16 58.59 1a49 n GLU 331 Cb 0.85 -1.67 0.54 0.00 -0.06 0.00 0.00 31.44 31.10 1a49 n GLU 331 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1a49 h SER 332 N 0.00 0.36 0.00 4.31 4.64 -1.92 -0.57 113.55 120.37 1a49 h SER 332 Ca 0.28 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1a49 h SER 332 Cb 0.46 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1a49 h SER 332 CO -0.73 0.14 0.00 0.23 -0.87 0.00 0.00 176.83 175.60 1a49 n MET 333 N -4.49 0.57 -0.02 4.77 2.81 -0.75 -1.25 117.12 118.76 1a49 n MET 333 Ca 0.20 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 56.03 1a49 n MET 333 Cb 0.74 -1.50 0.15 0.00 -0.71 0.00 0.00 33.22 31.91 1a49 n MET 333 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1a49 h ILE 334 N 0.00 1.27 0.00 2.02 2.04 -1.27 -3.25 117.51 118.32 1a49 h ILE 334 Ca 0.00 -1.34 -0.10 0.00 1.00 0.00 0.00 64.86 64.42 1a49 h ILE 334 Cb 0.00 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1a49 h ILE 334 CO 0.00 0.43 -1.81 0.29 0.00 0.00 0.00 178.15 177.06 1a49 n LYS 335 N -4.10 0.91 -4.42 2.37 4.76 -0.84 0.46 118.16 117.30 1a49 n LYS 335 Ca -0.00 -0.09 -0.30 0.00 -2.87 0.00 0.00 58.31 55.04 1a49 n LYS 335 Cb 0.43 -1.37 -0.11 0.00 -1.84 0.00 0.00 35.03 32.14 1a49 n LYS 335 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1a49 s LYS 336 N -2.80 2.12 0.39 1.97 1.02 -0.38 -4.89 119.74 117.17 1a49 s LYS 336 Ca -0.06 -0.99 0.18 0.00 0.02 0.00 0.00 55.97 55.11 1a49 s LYS 336 Cb 0.08 -2.26 0.81 0.00 -0.52 0.00 0.00 37.83 35.93 1a49 s LYS 336 CO 0.62 0.53 1.82 -1.00 -0.92 0.00 0.00 175.35 176.40 1a49 h PRO 337 N 4.09 0.00 -4.87 -1.68 0.13 -1.89 -3.35 132.00 124.42 1a49 h PRO 337 Ca -0.49 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.25 1a49 h PRO 337 Cb 1.16 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.02 1a49 h PRO 337 CO 0.50 0.35 -0.78 1.03 -0.23 0.00 0.00 178.00 178.86 1a49 s ARG 338 N -3.92 0.78 0.72 0.86 0.52 -1.26 -4.94 118.95 111.71 1a49 s ARG 338 Ca -0.02 -0.47 -0.10 0.00 -0.52 0.00 0.00 55.73 54.63 1a49 s ARG 338 Cb 0.13 -0.74 0.16 0.00 0.52 0.00 0.00 34.95 35.02 1a49 s ARG 338 CO 0.69 0.19 0.98 -0.35 0.02 0.00 0.00 175.30 176.84 1a49 n PRO 339 N 2.50 -0.75 -2.32 3.54 -0.04 -1.26 -4.77 135.00 131.90 1a49 n PRO 339 Ca -0.15 -1.76 -0.25 0.00 -0.04 0.00 0.00 63.50 61.30 1a49 n PRO 339 Cb 0.56 -0.94 0.06 0.00 -0.04 0.00 0.00 33.50 33.14 1a49 n PRO 339 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1a49 s THR 340 N -3.07 2.54 0.16 0.52 -4.23 -1.26 -4.95 115.64 105.36 1a49 s THR 340 Ca 0.58 -0.31 -0.12 0.00 -1.18 0.00 0.00 61.69 60.65 1a49 s THR 340 Cb -0.02 -3.06 0.04 0.00 1.34 0.00 0.00 72.50 70.79 1a49 s THR 340 CO 0.40 -0.06 1.64 0.03 -0.54 0.00 0.00 174.62 176.09 1a49 h ARG 341 N -0.41 0.87 -0.21 3.99 2.47 -1.99 -0.55 114.38 118.56 1a49 h ARG 341 Ca -0.44 -0.23 -0.02 0.00 -1.26 0.00 0.00 59.98 58.03 1a49 h ARG 341 Cb 1.30 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.51 1a49 h ARG 341 CO 0.59 0.85 0.06 0.00 0.56 0.00 0.00 179.97 182.02 1a49 h ALA 342 N 0.98 1.72 -0.23 0.04 0.00 -1.98 0.50 119.26 120.29 1a49 h ALA 342 Ca 0.16 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1a49 h ALA 342 Cb 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1a49 h ALA 342 CO 0.01 0.22 -0.46 0.93 0.00 0.00 0.00 179.25 179.95 1a49 h GLU 343 N 0.29 0.60 -0.05 0.00 5.08 -1.56 0.25 114.58 119.18 1a49 h GLU 343 Ca 0.07 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1a49 h GLU 343 Cb 0.10 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1a49 h GLU 343 CO -0.00 0.93 0.02 0.78 -1.00 0.00 0.00 179.01 179.74 1a49 h GLY 344 N 1.03 0.08 0.76 -3.84 0.00 0.53 -1.61 103.07 100.00 1a49 h GLY 344 Ca 0.03 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.36 1a49 h GLY 344 CO 0.09 0.04 0.20 0.23 0.00 0.00 0.00 176.54 177.10 1a49 h SER 345 N -0.03 0.28 0.07 0.19 0.87 0.16 -2.21 113.55 112.88 1a49 h SER 345 Ca 0.02 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1a49 h SER 345 Cb 0.11 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 61.99 1a49 h SER 345 CO -0.00 0.21 -0.39 -0.78 -0.53 0.00 0.00 176.83 175.34 1a49 h ASP 346 N 0.41 -1.15 -0.55 6.23 3.58 -0.18 0.72 116.42 125.48 1a49 h ASP 346 Ca 0.19 0.14 0.03 0.00 0.42 0.00 0.00 57.03 57.81 1a49 h ASP 346 Cb 0.11 0.44 -0.04 0.00 1.72 0.00 0.00 39.33 41.56 1a49 h ASP 346 CO -0.14 -0.45 0.32 0.58 -2.88 0.00 0.00 179.24 176.67 1a49 h VAL 347 N -0.59 1.02 0.17 2.25 2.07 -1.17 -1.56 116.25 118.44 1a49 h VAL 347 Ca 0.04 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1a49 h VAL 347 Cb 0.64 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1a49 h VAL 347 CO -0.26 0.11 -0.25 0.00 0.02 0.00 0.00 177.57 177.19 1a49 h ALA 348 N 1.26 -0.46 -0.30 1.67 0.00 -0.67 -2.54 119.26 118.22 1a49 h ALA 348 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1a49 h ALA 348 Cb 0.07 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1a49 h ALA 348 CO -0.12 -0.80 0.19 -0.91 0.00 0.00 0.00 179.25 177.61 1a49 h ASN 349 N -0.48 0.35 0.16 0.00 -0.26 -0.77 0.20 115.58 114.78 1a49 h ASN 349 Ca 0.02 -0.01 -0.09 0.00 -0.56 0.00 0.00 56.30 55.66 1a49 h ASN 349 Cb 0.48 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.64 1a49 h ASN 349 CO -0.11 0.26 -0.32 0.00 -1.06 0.00 0.00 177.43 176.21 1a49 h ALA 350 N 1.80 1.24 0.05 -0.83 0.00 -0.86 1.61 119.26 122.26 1a49 h ALA 350 Ca 0.11 -0.34 -0.26 0.00 0.00 0.00 0.00 54.91 54.42 1a49 h ALA 350 Cb -0.03 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1a49 h ALA 350 CO -0.02 0.51 -1.07 0.28 0.00 0.00 0.00 179.25 178.95 1a49 h VAL 351 N 0.21 1.37 -0.29 0.00 2.07 -0.85 -1.24 116.25 117.51 1a49 h VAL 351 Ca 0.03 -2.51 -0.18 0.00 0.82 0.00 0.00 66.70 64.85 1a49 h VAL 351 Cb 0.67 2.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1a49 h VAL 351 CO 0.05 0.75 -0.53 -0.07 0.02 0.00 0.00 177.57 177.79 1a49 h LEU 352 N 0.24 0.96 -1.02 2.57 3.38 -0.75 -2.59 115.31 118.09 1a49 h LEU 352 Ca -0.12 -0.51 0.11 0.00 0.09 0.00 0.00 57.88 57.46 1a49 h LEU 352 Cb 1.73 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 42.12 1a49 h LEU 352 CO 0.19 1.30 0.63 0.44 0.09 0.00 0.00 178.44 181.10 1a49 h ASP 353 N 0.67 0.94 0.00 -0.43 3.32 0.25 -3.46 116.42 117.71 1a49 h ASP 353 Ca 0.02 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1a49 h ASP 353 Cb 1.14 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1a49 h ASP 353 CO 0.12 0.52 0.00 0.61 -1.72 0.00 0.00 179.24 178.76 1a49 n GLY 354 N -1.35 0.13 3.76 2.75 0.00 -0.57 -4.72 105.19 105.19 1a49 n GLY 354 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1a49 n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a49 s ALA 355 N -0.59 3.59 0.20 4.61 0.00 -0.60 -4.89 121.76 124.08 1a49 s ALA 355 Ca 0.00 1.35 0.04 0.00 0.00 0.00 0.00 51.96 53.35 1a49 s ALA 355 Cb 0.00 -3.55 0.12 0.00 0.00 0.00 0.00 23.12 19.69 1a49 s ALA 355 CO 0.00 -0.76 1.47 -0.44 0.00 0.00 0.00 175.76 176.02 1a49 h ASP 356 N 4.34 0.22 -5.23 0.00 5.19 -1.49 -3.46 116.42 115.99 1a49 h ASP 356 Ca -0.47 -0.15 -0.11 0.00 -0.62 0.00 0.00 57.03 55.67 1a49 h ASP 356 Cb 1.22 -0.07 -0.14 0.00 0.18 0.00 0.00 39.33 40.52 1a49 h ASP 356 CO 0.73 0.89 -0.53 0.00 -3.12 0.00 0.00 179.24 177.20 1a49 s ILE 358 N -3.92 1.79 0.28 0.00 -4.36 -0.40 -0.75 121.20 113.85 1a49 s ILE 358 Ca 0.09 -2.00 0.10 0.00 -0.26 0.00 0.00 60.65 58.58 1a49 s ILE 358 Cb 0.06 -1.89 -0.05 0.00 1.25 0.00 0.00 42.46 41.83 1a49 s ILE 358 CO -0.08 -0.40 -0.14 -0.32 0.24 0.00 0.00 174.94 174.24 1a49 s MET 359 N -3.03 1.63 -0.04 0.37 1.75 -0.84 -1.03 119.30 118.12 1a49 s MET 359 Ca 0.17 -1.79 0.02 0.00 -1.25 0.00 0.00 55.69 52.85 1a49 s MET 359 Cb -0.04 -1.53 0.01 0.00 2.84 0.00 0.00 34.83 36.11 1a49 s MET 359 CO 0.07 0.20 -0.08 -0.51 -0.65 0.00 0.00 175.02 174.05 1a49 s LEU 360 N -3.49 1.63 0.00 4.11 1.43 0.22 -4.43 118.68 118.16 1a49 s LEU 360 Ca 0.29 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1a49 s LEU 360 Cb -0.01 -0.54 0.00 0.00 0.03 0.00 0.00 46.19 45.67 1a49 s LEU 360 CO 0.13 0.02 0.00 -1.20 0.23 0.00 0.00 176.35 175.54 1a49 n SER 361 N 3.58 0.00 -0.21 2.29 7.64 -1.26 -1.11 113.62 124.55 1a49 n SER 361 Ca -0.21 0.00 0.31 0.00 1.01 0.00 0.00 58.87 59.98 1a49 n SER 361 Cb 0.53 0.00 0.66 0.00 -1.01 0.00 0.00 64.21 64.39 1a49 n SER 361 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1a49 h GLY 362 N 0.00 0.00 1.02 0.23 0.00 -1.96 0.21 103.07 102.56 1a49 h GLY 362 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a49 h GLY 362 CO 0.00 0.00 0.58 0.83 0.00 0.00 0.00 176.54 177.95 1a49 h GLU 363 N 0.00 1.25 0.00 4.80 3.07 -1.90 -1.65 114.58 120.16 1a49 h GLU 363 Ca 0.48 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 1a49 h GLU 363 Cb 2.31 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 29.95 1a49 h GLU 363 CO -0.01 0.86 -1.43 0.25 -1.40 0.00 0.00 179.01 177.29 1a49 n THR 364 N -4.39 0.00 0.31 1.13 -2.24 0.64 -4.00 114.28 105.73 1a49 n THR 364 Ca 0.10 -0.29 0.12 0.00 -2.27 0.00 0.00 64.05 61.71 1a49 n THR 364 Cb 0.04 0.35 0.07 0.00 -2.10 0.00 0.00 70.33 68.69 1a49 n THR 364 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a49 h ALA 365 N 1.42 0.53 0.00 6.98 0.00 -0.77 -3.23 119.26 124.19 1a49 h ALA 365 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a49 h ALA 365 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1a49 h ALA 365 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.61 1a49 n LYS 366 N -2.43 0.00 -2.12 0.00 -0.00 -1.10 -1.28 118.16 111.23 1a49 n LYS 366 Ca 0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.05 1a49 n LYS 366 Cb 0.50 0.00 0.06 0.00 -0.00 0.00 0.00 35.03 35.60 1a49 n LYS 366 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1a49 s GLY 367 N 0.00 1.64 0.04 2.58 0.00 -0.64 -4.81 107.32 106.13 1a49 s GLY 367 Ca 0.00 -0.74 0.28 0.00 0.00 0.00 0.00 44.72 44.26 1a49 s GLY 367 CO 0.00 -0.34 1.81 1.22 0.00 0.00 0.00 173.10 175.79 1a49 n ASP 368 N -2.97 0.23 -2.48 1.64 8.00 0.17 -4.20 116.55 116.94 1a49 n ASP 368 Ca 0.07 0.39 -0.22 0.00 0.71 0.00 0.00 54.79 55.74 1a49 n ASP 368 Cb 0.60 -0.42 0.01 0.00 -0.02 0.00 0.00 41.12 41.29 1a49 n ASP 368 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1a49 n TYR 369 N -1.65 2.79 -0.03 1.24 4.01 -1.25 -4.88 117.16 117.40 1a49 n TYR 369 Ca 0.06 -2.92 -0.09 0.00 -0.16 0.00 0.00 57.90 54.79 1a49 n TYR 369 Cb 0.36 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 39.18 1a49 n TYR 369 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1a49 h PRO 370 N 2.63 0.12 0.03 -0.72 0.13 -1.73 -2.17 132.00 130.29 1a49 h PRO 370 Ca 0.21 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 65.36 1a49 h PRO 370 Cb 1.05 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.12 1a49 h PRO 370 CO 0.74 0.08 -0.22 -0.07 -0.23 0.00 0.00 178.00 178.30 1a49 h LEU 371 N 0.13 -0.65 -1.75 1.56 3.38 -1.90 -0.85 115.31 115.23 1a49 h LEU 371 Ca 0.08 0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.25 1a49 h LEU 371 Cb 0.06 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1a49 h LEU 371 CO -0.09 -0.30 0.39 -0.33 0.09 0.00 0.00 178.44 178.21 1a49 h GLU 372 N -0.37 0.26 -0.26 1.13 3.07 -1.93 -1.71 114.58 114.78 1a49 h GLU 372 Ca 0.05 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.86 1a49 h GLU 372 Cb 0.43 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1a49 h GLU 372 CO -0.18 0.17 0.01 0.00 -1.40 0.00 0.00 179.01 177.61 1a49 h ALA 373 N 1.71 0.34 -0.18 3.43 0.00 -0.49 0.19 119.26 124.27 1a49 h ALA 373 Ca 0.27 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1a49 h ALA 373 Cb 0.71 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1a49 h ALA 373 CO -0.06 0.07 0.11 0.28 0.00 0.00 0.00 179.25 179.65 1a49 h VAL 374 N 0.23 1.09 -0.44 0.00 2.07 -1.08 -1.36 116.25 116.76 1a49 h VAL 374 Ca 0.07 -0.22 0.08 0.00 0.82 0.00 0.00 66.70 67.46 1a49 h VAL 374 Cb 0.40 0.90 -0.10 0.00 -1.52 0.00 0.00 31.29 30.97 1a49 h VAL 374 CO 0.01 0.08 -0.34 0.03 0.02 0.00 0.00 177.57 177.37 1a49 h ARG 375 N 0.21 -0.24 -0.50 1.57 3.08 -1.07 -1.46 114.38 115.96 1a49 h ARG 375 Ca 0.07 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.19 1a49 h ARG 375 Cb 0.04 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.09 1a49 h ARG 375 CO -0.01 -0.16 0.22 1.98 -1.07 0.00 0.00 179.97 180.93 1a49 h MET 376 N -0.24 0.41 -0.77 0.04 4.05 -0.28 -1.42 114.93 116.72 1a49 h MET 376 Ca 0.18 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.58 1a49 h MET 376 Cb 0.55 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.22 1a49 h MET 376 CO -0.57 0.27 0.51 1.96 0.23 0.00 0.00 176.91 179.31 1a49 h GLN 377 N 0.42 1.01 -0.19 0.39 4.20 -0.33 -1.97 115.11 118.64 1a49 h GLN 377 Ca 0.23 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.89 1a49 h GLN 377 Cb 0.20 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1a49 h GLN 377 CO -0.20 0.67 0.11 1.25 -0.67 0.00 0.00 178.83 179.99 1a49 h HIS 378 N 1.04 0.22 0.44 2.96 2.76 -0.31 -0.63 115.15 121.63 1a49 h HIS 378 Ca 0.28 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.44 1a49 h HIS 378 Cb -0.12 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 28.77 1a49 h HIS 378 CO -0.00 0.13 -0.23 -0.07 -1.30 0.00 0.00 177.93 176.46 1a49 h LEU 379 N 0.24 -0.57 -0.61 0.26 3.38 -0.94 -2.57 115.31 114.50 1a49 h LEU 379 Ca 0.07 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1a49 h LEU 379 Cb -0.01 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1a49 h LEU 379 CO -0.03 -0.39 0.38 0.40 0.09 0.00 0.00 178.44 178.89 1a49 h ILE 380 N -0.63 1.07 -0.60 1.22 2.04 -1.31 -2.87 117.51 116.44 1a49 h ILE 380 Ca -0.05 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 65.63 1a49 h ILE 380 Cb 0.50 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 1a49 h ILE 380 CO 0.08 0.13 0.26 0.00 0.00 0.00 0.00 178.15 178.63 1a49 h ALA 381 N 1.27 0.79 -0.05 1.87 0.00 -1.00 0.99 119.26 123.13 1a49 h ALA 381 Ca 0.25 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1a49 h ALA 381 Cb 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1a49 h ALA 381 CO -0.10 -0.13 0.01 0.00 0.00 0.00 0.00 179.25 179.02 1a49 h ARG 382 N 0.48 0.09 -0.76 0.00 3.08 -1.26 -0.65 114.38 115.35 1a49 h ARG 382 Ca 0.29 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.35 1a49 h ARG 382 Cb 0.31 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1a49 h ARG 382 CO -0.26 0.34 0.48 1.49 -1.07 0.00 0.00 179.97 180.96 1a49 h GLU 383 N -0.17 0.92 -0.04 0.04 4.57 -1.29 -3.04 114.58 115.57 1a49 h GLU 383 Ca 0.02 -0.06 -0.14 0.00 -1.18 0.00 0.00 59.36 58.00 1a49 h GLU 383 Cb 0.29 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1a49 h GLU 383 CO 0.00 0.61 -0.60 0.00 -1.18 0.00 0.00 179.01 177.84 1a49 h ALA 384 N 1.31 0.91 0.00 2.92 0.00 -0.53 -2.86 119.26 121.01 1a49 h ALA 384 Ca 0.30 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1a49 h ALA 384 Cb -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1a49 h ALA 384 CO -0.10 0.74 -0.06 0.93 0.00 0.00 0.00 179.25 180.76 1a49 h GLU 385 N 0.11 0.00 0.06 0.00 5.08 -1.02 -2.42 114.58 116.38 1a49 h GLU 385 Ca -0.01 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.04 1a49 h GLU 385 Cb 1.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 1a49 h GLU 385 CO 0.09 0.06 -1.72 0.00 -1.00 0.00 0.00 179.01 176.43 1a49 h ALA 386 N 1.94 0.57 0.00 3.43 0.00 -1.41 -3.27 119.26 120.52 1a49 h ALA 386 Ca -0.00 -1.36 0.00 0.00 0.00 0.00 0.00 54.91 53.55 1a49 h ALA 386 Cb 0.43 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1a49 h ALA 386 CO 0.01 1.41 0.00 0.00 0.00 0.00 0.00 179.25 180.67 1a49 n ALA 387 N -2.69 2.37 -0.83 0.00 0.00 -0.93 -4.60 120.51 113.83 1a49 n ALA 387 Ca -0.20 -0.07 -0.29 0.00 0.00 0.00 0.00 53.44 52.88 1a49 n ALA 387 Cb 1.04 -1.18 0.21 0.00 0.00 0.00 0.00 19.45 19.52 1a49 n ALA 387 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1a49 s MET 388 N -2.00 -0.07 -0.80 0.00 -1.94 -1.11 -4.93 119.30 108.45 1a49 s MET 388 Ca 0.16 0.81 0.02 0.00 -1.71 0.00 0.00 55.69 54.97 1a49 s MET 388 Cb 0.08 -1.66 0.32 0.00 2.01 0.00 0.00 34.83 35.58 1a49 s MET 388 CO 0.13 -3.14 1.32 0.34 -0.01 0.00 0.00 175.02 173.65 1a49 n PHE 389 N -4.51 3.41 -0.32 -0.03 7.35 -1.26 -4.86 117.46 117.23 1a49 n PHE 389 Ca 0.05 -3.35 0.22 0.00 -0.76 0.00 0.00 57.45 53.61 1a49 n PHE 389 Cb 0.55 -0.83 0.43 0.00 0.35 0.00 0.00 39.48 39.98 1a49 n PHE 389 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1a49 h HIS 390 N 3.71 0.55 -0.05 -5.13 3.86 -1.91 0.80 115.15 116.97 1a49 h HIS 390 Ca 0.30 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.55 1a49 h HIS 390 Cb 0.45 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.84 1a49 h HIS 390 CO 1.04 -0.34 -0.00 -0.09 0.86 0.00 0.00 177.93 179.40 1a49 h ARG 391 N 0.12 0.09 -0.34 2.45 1.12 -1.92 0.66 114.38 116.57 1a49 h ARG 391 Ca 0.70 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 59.51 1a49 h ARG 391 Cb 1.64 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.58 1a49 h ARG 391 CO -0.74 0.39 0.11 -0.22 -3.11 0.00 0.00 179.97 176.39 1a49 h LYS 392 N -0.21 0.53 -0.84 0.20 3.64 -1.50 -2.53 116.57 115.86 1a49 h LYS 392 Ca 0.01 -0.11 0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1a49 h LYS 392 Cb 0.35 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 1a49 h LYS 392 CO 0.00 0.56 0.52 1.25 -2.27 0.00 0.00 179.45 179.51 1a49 h LEU 393 N 0.39 0.81 -0.78 5.20 5.85 -0.75 -0.53 115.31 125.50 1a49 h LEU 393 Ca 0.11 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 1a49 h LEU 393 Cb 0.25 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1a49 h LEU 393 CO -0.00 0.52 0.26 0.15 -0.34 0.00 0.00 178.44 179.03 1a49 h PHE 394 N 0.95 1.21 -0.40 1.25 3.57 -0.74 0.22 116.94 123.00 1a49 h PHE 394 Ca 0.36 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 1a49 h PHE 394 Cb 0.15 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 1a49 h PHE 394 CO -0.04 0.94 -0.01 0.93 -2.23 0.00 0.00 178.31 177.90 1a49 h GLU 395 N 1.13 0.72 -0.39 1.11 5.08 -0.93 -1.24 114.58 120.07 1a49 h GLU 395 Ca 0.25 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1a49 h GLU 395 Cb 0.28 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1a49 h GLU 395 CO -0.01 0.81 -0.10 0.93 -1.00 0.00 0.00 179.01 179.64 1a49 h GLU 396 N 0.55 0.68 -0.46 2.33 5.08 -0.69 -1.57 114.58 120.50 1a49 h GLU 396 Ca 0.11 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 1a49 h GLU 396 Cb 0.50 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1a49 h GLU 396 CO 0.02 0.77 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.60 1a49 h LEU 397 N 0.62 0.91 -0.33 1.33 4.07 -0.91 -1.55 115.31 119.46 1a49 h LEU 397 Ca 0.11 -0.37 -0.03 0.00 0.08 0.00 0.00 57.88 57.67 1a49 h LEU 397 Cb 0.54 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 1a49 h LEU 397 CO 0.03 1.07 0.10 0.00 -1.08 0.00 0.00 178.44 178.57 1a49 h ALA 398 N 0.87 0.43 -0.05 1.53 0.00 -0.92 -1.26 119.26 119.86 1a49 h ALA 398 Ca 0.11 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1a49 h ALA 398 Cb 0.68 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1a49 h ALA 398 CO 0.05 0.07 -0.24 -0.09 0.00 0.00 0.00 179.25 179.04 1a49 h ARG 399 N 0.37 -0.33 -0.92 0.00 1.12 -1.23 -1.53 114.38 111.86 1a49 h ARG 399 Ca 0.11 0.02 0.08 0.00 -1.11 0.00 0.00 59.98 59.08 1a49 h ARG 399 Cb 0.25 0.08 -0.06 0.00 -0.01 0.00 0.00 29.97 30.22 1a49 h ARG 399 CO -0.00 -0.22 0.59 1.03 -3.11 0.00 0.00 179.97 178.26 1a49 h SER 400 N -0.35 0.89 -0.17 -3.80 0.87 -0.99 -1.99 113.55 108.02 1a49 h SER 400 Ca 0.08 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1a49 h SER 400 Cb 0.45 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1a49 h SER 400 CO -0.25 0.55 0.00 -1.54 -0.53 0.00 0.00 176.83 175.06 1a49 n SER 401 N -4.51 1.54 0.09 6.23 3.41 -0.50 -4.56 113.62 115.31 1a49 n SER 401 Ca 0.15 -1.71 0.20 0.00 -0.26 0.00 0.00 58.87 57.25 1a49 n SER 401 Cb 0.25 -0.11 0.71 0.00 -0.26 0.00 0.00 64.21 64.80 1a49 n SER 401 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1a49 h SER 402 N 2.01 0.00 1.35 4.04 4.64 -0.51 0.27 113.55 125.34 1a49 h SER 402 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a49 h SER 402 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1a49 h SER 402 CO 0.00 0.00 0.00 0.45 -0.87 0.00 0.00 176.83 176.41 1a49 h HIS 403 N 0.00 0.00 -3.61 4.77 3.86 -1.83 -3.44 115.15 114.91 1a49 h HIS 403 Ca 0.20 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.90 1a49 h HIS 403 Cb 1.23 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.67 1a49 h HIS 403 CO 0.00 0.00 0.14 0.45 0.86 0.00 0.00 177.93 179.38 1a49 s SER 404 N -5.44 7.10 -0.06 2.45 0.15 0.93 -4.94 113.70 113.89 1a49 s SER 404 Ca 0.05 1.47 0.09 0.00 0.70 0.00 0.00 55.95 58.27 1a49 s SER 404 Cb 0.08 -2.44 0.14 0.00 -1.71 0.00 0.00 66.02 62.10 1a49 s SER 404 CO 0.57 0.02 1.04 0.41 1.20 0.00 0.00 173.24 176.48 1a49 n THR 405 N 0.72 1.07 -1.70 6.45 -1.04 -1.26 -5.06 114.28 113.46 1a49 n THR 405 Ca -0.02 -1.26 -0.43 0.00 -2.04 0.00 0.00 64.05 60.30 1a49 n THR 405 Cb 0.51 0.17 -0.03 0.00 -1.82 0.00 0.00 70.33 69.16 1a49 n THR 405 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1a49 n ASP 406 N -0.78 3.51 -0.15 8.00 2.03 -1.26 -4.88 116.55 123.01 1a49 n ASP 406 Ca 0.08 1.10 -0.07 0.00 0.52 0.00 0.00 54.79 56.42 1a49 n ASP 406 Cb 0.60 -1.52 0.02 0.00 -0.72 0.00 0.00 41.12 39.50 1a49 n ASP 406 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1a49 h LEU 407 N 5.56 0.47 -1.40 -2.67 4.07 -2.00 -0.45 115.31 118.89 1a49 h LEU 407 Ca -0.45 -0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.45 1a49 h LEU 407 Cb 1.23 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.86 1a49 h LEU 407 CO 0.86 0.33 -0.27 -0.03 -1.08 0.00 0.00 178.44 178.26 1a49 h MET 408 N 0.56 0.00 -0.13 1.13 4.05 -1.93 -2.69 114.93 115.93 1a49 h MET 408 Ca 0.17 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.40 1a49 h MET 408 Cb -0.02 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.78 1a49 h MET 408 CO -0.06 0.27 -0.71 0.93 0.23 0.00 0.00 176.91 177.56 1a49 h GLU 409 N 0.00 0.56 0.20 0.39 5.08 -1.68 -0.43 114.58 118.70 1a49 h GLU 409 Ca -0.00 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1a49 h GLU 409 Cb 0.61 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1a49 h GLU 409 CO 0.03 1.06 -0.10 0.00 -1.00 0.00 0.00 179.01 179.01 1a49 h ALA 410 N 0.82 -0.27 -0.12 3.43 0.00 -0.80 0.13 119.26 122.45 1a49 h ALA 410 Ca -0.03 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1a49 h ALA 410 Cb 1.30 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 1a49 h ALA 410 CO 0.13 -0.60 -0.30 1.98 0.00 0.00 0.00 179.25 180.46 1a49 h MET 411 N -0.36 -0.37 -0.80 0.00 -1.53 -1.44 0.59 114.93 111.02 1a49 h MET 411 Ca -0.03 0.03 0.06 0.00 -3.44 0.00 0.00 59.70 56.31 1a49 h MET 411 Cb 0.28 0.08 -0.06 0.00 -0.55 0.00 0.00 31.60 31.36 1a49 h MET 411 CO 0.05 -0.25 0.49 0.00 0.14 0.00 0.00 176.91 177.33 1a49 h ALA 412 N 0.45 1.08 -0.30 0.39 0.00 -1.01 0.91 119.26 120.78 1a49 h ALA 412 Ca 0.09 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1a49 h ALA 412 Cb 0.53 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1a49 h ALA 412 CO -0.33 0.22 -0.25 0.52 0.00 0.00 0.00 179.25 179.41 1a49 h MET 413 N 0.90 0.70 -0.88 0.00 2.86 0.75 -0.55 114.93 118.71 1a49 h MET 413 Ca 0.35 -0.35 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1a49 h MET 413 Cb 0.15 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.76 1a49 h MET 413 CO -0.16 0.96 0.57 0.78 1.06 0.00 0.00 176.91 180.11 1a49 h GLY 414 N 0.45 1.27 0.85 8.32 0.00 0.59 -0.55 103.07 114.00 1a49 h GLY 414 Ca 0.05 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 1a49 h GLY 414 CO 0.06 0.37 -0.05 1.76 0.00 0.00 0.00 176.54 178.69 1a49 h SER 415 N 1.10 -0.11 -0.79 0.19 0.02 -0.61 0.65 113.55 114.00 1a49 h SER 415 Ca 0.35 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 1a49 h SER 415 Cb -0.00 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 1a49 h SER 415 CO -0.11 0.07 0.40 0.58 -1.14 0.00 0.00 176.83 176.62 1a49 h VAL 416 N -0.29 1.24 -0.04 2.27 2.07 -0.89 -1.33 116.25 119.28 1a49 h VAL 416 Ca -0.01 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1a49 h VAL 416 Cb 0.24 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1a49 h VAL 416 CO 0.02 0.29 0.02 -0.08 0.02 0.00 0.00 177.57 177.84 1a49 h GLU 417 N 1.13 0.05 -0.61 1.57 4.57 -0.88 0.13 114.58 120.56 1a49 h GLU 417 Ca 0.28 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.46 1a49 h GLU 417 Cb 0.09 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 1a49 h GLU 417 CO -0.04 0.08 0.40 0.00 -1.18 0.00 0.00 179.01 178.27 1a49 h ALA 418 N 0.97 0.77 -0.75 2.92 0.00 -0.43 0.10 119.26 122.84 1a49 h ALA 418 Ca 0.01 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1a49 h ALA 418 Cb 0.04 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1a49 h ALA 418 CO -0.00 0.19 0.50 0.66 0.00 0.00 0.00 179.25 180.59 1a49 h SER 419 N 0.81 0.73 -0.32 0.00 4.64 -1.00 0.40 113.55 118.80 1a49 h SER 419 Ca 0.22 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.45 1a49 h SER 419 Cb -0.08 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 1a49 h SER 419 CO -0.06 0.48 -0.17 1.88 -0.87 0.00 0.00 176.83 178.09 1a49 h TYR 420 N 0.83 0.79 0.37 4.77 0.05 0.11 -1.41 116.97 122.48 1a49 h TYR 420 Ca 0.32 -0.20 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 1a49 h TYR 420 Cb 0.20 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 37.76 1a49 h TYR 420 CO -0.00 0.91 -0.18 -0.22 -1.05 0.00 0.00 178.16 177.62 1a49 h LYS 421 N 0.44 -0.48 -0.17 4.88 1.63 0.42 -3.02 116.57 120.27 1a49 h LYS 421 Ca 0.07 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1a49 h LYS 421 Cb 0.71 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 1a49 h LYS 421 CO 0.05 -0.31 0.00 0.00 -3.45 0.00 0.00 179.45 175.74 1a49 n LEU 423 N 0.39 -3.59 -4.54 0.00 4.32 -0.60 -4.92 117.00 108.07 1a49 n LEU 423 Ca 0.16 -0.56 -0.39 0.00 -0.02 0.00 0.00 56.01 55.20 1a49 n LEU 423 Cb 0.35 -3.03 0.03 0.00 -1.62 0.00 0.00 43.42 39.15 1a49 n LEU 423 CO 0.13 0.56 0.31 0.00 -1.22 0.00 0.00 177.39 177.17 1a49 n ALA 424 N -4.68 -0.56 0.09 -1.18 0.00 -0.81 -4.91 120.51 108.46 1a49 n ALA 424 Ca -0.09 0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 1a49 n ALA 424 Cb 0.59 -1.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.04 1a49 n ALA 424 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a49 h ALA 425 N 0.70 0.53 -2.38 0.00 0.00 0.38 -3.43 119.26 115.05 1a49 h ALA 425 Ca -0.45 -0.74 0.17 0.00 0.00 0.00 0.00 54.91 53.89 1a49 h ALA 425 Cb 1.38 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 1a49 h ALA 425 CO 0.51 0.98 0.50 0.00 0.00 0.00 0.00 179.25 181.24 1a49 s ALA 426 N -2.82 -1.62 -0.06 0.00 0.00 -1.25 -3.92 121.76 112.08 1a49 s ALA 426 Ca 0.02 0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.05 1a49 s ALA 426 Cb 0.09 0.66 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 1a49 s ALA 426 CO 0.79 -1.05 -0.23 -0.51 0.00 0.00 0.00 175.76 174.76 1a49 s LEU 427 N -3.03 2.18 -0.23 0.00 1.02 0.25 -1.24 118.68 117.63 1a49 s LEU 427 Ca 0.14 -0.47 -0.02 0.00 0.02 0.00 0.00 54.13 53.80 1a49 s LEU 427 Cb -0.02 -1.41 0.02 0.00 0.02 0.00 0.00 46.19 44.80 1a49 s LEU 427 CO 0.03 0.25 -0.09 -0.63 0.02 0.00 0.00 176.35 175.93 1a49 s ILE 428 N -0.18 2.84 -0.08 -0.59 1.01 0.23 0.12 121.20 124.56 1a49 s ILE 428 Ca -0.03 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.81 1a49 s ILE 428 Cb -0.14 -2.35 -0.00 0.00 0.01 0.00 0.00 42.46 39.98 1a49 s ILE 428 CO 0.04 0.33 -0.24 -0.69 0.00 0.00 0.00 174.94 174.38 1a49 s VAL 429 N 1.36 2.01 -0.38 2.92 1.01 -0.79 0.34 120.40 126.87 1a49 s VAL 429 Ca 0.03 -1.02 -0.08 0.00 0.00 0.00 0.00 61.98 60.91 1a49 s VAL 429 Cb -0.15 -1.73 0.06 0.00 0.00 0.00 0.00 36.38 34.56 1a49 s VAL 429 CO -0.06 0.55 0.19 -0.76 0.00 0.00 0.00 175.10 175.03 1a49 s LEU 430 N 0.12 4.80 0.13 3.92 1.02 -0.53 -1.61 118.68 126.52 1a49 s LEU 430 Ca -0.12 -1.31 0.00 0.00 0.02 0.00 0.00 54.13 52.72 1a49 s LEU 430 Cb -0.16 -1.95 -0.04 0.00 0.02 0.00 0.00 46.19 44.06 1a49 s LEU 430 CO 0.06 -0.44 0.01 0.28 0.02 0.00 0.00 176.35 176.28 1a49 s THR 431 N 1.43 0.38 -0.04 5.49 -1.32 -1.02 -4.77 115.64 115.79 1a49 s THR 431 Ca 0.01 -1.92 -0.01 0.00 -1.21 0.00 0.00 61.69 58.56 1a49 s THR 431 Cb -0.21 -1.94 -0.02 0.00 -1.51 0.00 0.00 72.50 68.82 1a49 s THR 431 CO 0.03 -0.60 -0.05 -0.62 -2.21 0.00 0.00 174.62 171.16 1a49 n GLU 432 N -0.10 0.10 0.17 7.08 -0.58 -1.26 -4.18 120.64 121.86 1a49 n GLU 432 Ca -0.08 0.04 0.04 0.00 -0.42 0.00 0.00 57.16 56.73 1a49 n GLU 432 Cb 0.63 -0.80 0.24 0.00 -0.57 0.00 0.00 31.44 30.94 1a49 n GLU 432 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1a49 h SER 433 N -0.10 0.00 0.00 1.62 4.64 -1.98 -3.44 113.55 114.29 1a49 h SER 433 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1a49 h SER 433 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1a49 h SER 433 CO -0.05 0.45 0.00 0.61 -0.87 0.00 0.00 176.83 176.97 1a49 n GLY 434 N 0.47 0.61 0.15 -0.77 0.00 -1.26 -4.85 105.19 99.55 1a49 n GLY 434 Ca 0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 1a49 n GLY 434 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1a49 h ARG 435 N 1.25 0.44 -0.38 1.61 -0.00 -1.95 -1.84 114.38 113.50 1a49 h ARG 435 Ca 0.00 -0.12 0.08 0.00 -0.50 0.00 0.00 59.98 59.44 1a49 h ARG 435 Cb 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 29.97 29.84 1a49 h ARG 435 CO 0.00 0.56 -0.13 0.77 0.00 0.00 0.00 179.97 181.17 1a49 h SER 436 N 0.25 -0.45 -0.26 7.04 0.02 -1.94 0.06 113.55 118.27 1a49 h SER 436 Ca 0.08 0.13 0.05 0.00 -0.84 0.00 0.00 61.79 61.20 1a49 h SER 436 Cb 0.34 0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 1a49 h SER 436 CO 0.01 -0.16 -0.03 0.00 -1.14 0.00 0.00 176.83 175.51 1a49 h ALA 437 N 1.31 0.21 -0.90 3.77 0.00 -1.92 -1.53 119.26 120.20 1a49 h ALA 437 Ca 0.19 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.32 1a49 h ALA 437 Cb 0.33 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 1a49 h ALA 437 CO -0.42 -0.44 0.51 0.45 0.00 0.00 0.00 179.25 179.36 1a49 h HIS 438 N 0.05 0.92 -0.67 0.00 -0.00 -0.31 -0.42 115.15 114.71 1a49 h HIS 438 Ca 0.12 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.45 1a49 h HIS 438 Cb 0.17 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.28 1a49 h HIS 438 CO -0.22 0.29 0.10 1.96 -0.00 0.00 0.00 177.93 180.05 1a49 h GLN 439 N 0.77 1.11 -0.18 2.45 1.08 -0.07 -1.96 115.11 118.31 1a49 h GLN 439 Ca 0.47 -0.30 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 1a49 h GLN 439 Cb 0.58 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 1a49 h GLN 439 CO -0.32 1.02 0.07 0.28 -0.95 0.00 0.00 178.83 178.93 1a49 h VAL 440 N 1.03 1.16 0.00 -0.54 2.07 -0.39 -2.83 116.25 116.75 1a49 h VAL 440 Ca 0.20 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1a49 h VAL 440 Cb 0.46 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1a49 h VAL 440 CO 0.01 0.15 -0.06 0.00 0.02 0.00 0.00 177.57 177.70 1a49 h ALA 441 N 0.91 1.68 0.00 1.67 0.00 -1.10 -1.25 119.26 121.17 1a49 h ALA 441 Ca 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1a49 h ALA 441 Cb 0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1a49 h ALA 441 CO -0.00 0.08 -0.14 0.07 0.00 0.00 0.00 179.25 179.25 1a49 h ARG 442 N 0.00 0.00 -0.31 0.00 0.11 -1.10 -1.51 114.38 111.57 1a49 h ARG 442 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1a49 h ARG 442 Cb 0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.21 1a49 h ARG 442 CO 0.01 0.14 0.00 0.66 0.10 0.00 0.00 179.97 180.88 1a49 n TYR 443 N -4.07 0.41 -3.38 4.08 4.01 -0.47 -4.95 117.16 112.79 1a49 n TYR 443 Ca -0.02 -0.20 -0.18 0.00 -0.16 0.00 0.00 57.90 57.33 1a49 n TYR 443 Cb 0.23 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.26 1a49 n TYR 443 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1a49 n ARG 444 N 0.39 -1.70 -1.38 -0.72 5.12 -0.57 -4.81 116.66 112.98 1a49 n ARG 444 Ca 0.10 1.32 -0.31 0.00 -1.93 0.00 0.00 57.85 57.03 1a49 n ARG 444 Cb 0.26 -3.76 0.08 0.00 -1.16 0.00 0.00 32.46 27.88 1a49 n ARG 444 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 1a49 s PRO 445 N -3.53 2.46 0.01 5.56 0.02 -1.26 -4.95 135.00 133.31 1a49 s PRO 445 Ca 0.12 1.05 -0.09 0.00 0.02 0.00 0.00 61.00 62.10 1a49 s PRO 445 Cb -0.02 -1.93 -0.31 0.00 0.02 0.00 0.00 34.50 32.26 1a49 s PRO 445 CO 0.83 -1.46 0.90 -0.09 -0.33 0.00 0.00 177.00 176.84 1a49 h ARG 446 N -0.99 0.38 -7.37 5.54 2.43 -1.92 -3.47 114.38 108.98 1a49 h ARG 446 Ca -0.44 -0.66 -0.48 0.00 -0.81 0.00 0.00 59.98 57.60 1a49 h ARG 446 Cb 1.23 0.24 0.14 0.00 -0.42 0.00 0.00 29.97 31.16 1a49 h ARG 446 CO 0.54 1.29 0.27 0.00 -1.51 0.00 0.00 179.97 180.55 1a49 s ALA 447 N -2.61 1.65 0.25 2.80 0.00 -1.26 -5.03 121.76 117.56 1a49 s ALA 447 Ca -0.10 -0.18 -0.26 0.00 0.00 0.00 0.00 51.96 51.42 1a49 s ALA 447 Cb 0.06 -3.15 -0.09 0.00 0.00 0.00 0.00 23.12 19.94 1a49 s ALA 447 CO 0.89 -2.26 0.87 -1.25 0.00 0.00 0.00 175.76 174.01 1a49 s PRO 448 N -5.02 4.61 -0.33 0.00 0.04 -1.25 -4.83 135.00 128.22 1a49 s PRO 448 Ca 0.63 1.27 -0.13 0.00 0.04 0.00 0.00 61.00 62.80 1a49 s PRO 448 Cb -0.17 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 31.29 1a49 s PRO 448 CO 0.56 0.44 0.26 0.42 0.04 0.00 0.00 177.00 178.72 1a49 s ILE 449 N -1.37 5.26 -0.41 0.56 1.01 -0.30 -0.58 121.20 125.38 1a49 s ILE 449 Ca 0.43 -0.06 -0.19 0.00 0.00 0.00 0.00 60.65 60.83 1a49 s ILE 449 Cb -0.22 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.56 1a49 s ILE 449 CO 0.26 0.02 0.55 -0.63 0.00 0.00 0.00 174.94 175.15 1a49 s ILE 450 N 1.81 4.96 -0.50 2.92 1.01 0.33 0.47 121.20 132.21 1a49 s ILE 450 Ca 0.08 0.06 -0.18 0.00 0.00 0.00 0.00 60.65 60.61 1a49 s ILE 450 Cb -0.17 -4.09 0.06 0.00 0.01 0.00 0.00 42.46 38.28 1a49 s ILE 450 CO 0.11 -0.43 0.57 0.00 0.00 0.00 0.00 174.94 175.19 1a49 s ALA 451 N 2.51 3.42 -0.23 9.38 0.00 0.19 -1.88 121.76 135.15 1a49 s ALA 451 Ca 0.19 -1.82 -0.18 0.00 0.00 0.00 0.00 51.96 50.15 1a49 s ALA 451 Cb -0.15 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 1a49 s ALA 451 CO 0.16 -1.94 0.49 0.08 0.00 0.00 0.00 175.76 174.55 1a49 s VAL 452 N 2.41 5.10 -0.05 0.00 1.01 -0.64 0.29 120.40 128.53 1a49 s VAL 452 Ca 0.13 0.87 -0.11 0.00 0.00 0.00 0.00 61.98 62.87 1a49 s VAL 452 Cb -0.20 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.38 1a49 s VAL 452 CO 0.11 0.14 0.25 0.28 0.00 0.00 0.00 175.10 175.89 1a49 s THR 453 N 1.93 0.04 -2.55 3.92 -1.32 -0.47 -2.43 115.64 114.75 1a49 s THR 453 Ca 0.22 -0.29 0.25 0.00 -1.21 0.00 0.00 61.69 60.65 1a49 s THR 453 Cb -0.15 -0.46 0.43 0.00 -1.51 0.00 0.00 72.50 70.80 1a49 s THR 453 CO 0.09 -0.16 1.55 0.54 -2.21 0.00 0.00 174.62 174.43 1a49 n ARG 454 N 2.11 1.93 -3.65 7.08 1.74 -1.26 0.11 116.66 124.72 1a49 n ARG 454 Ca -0.18 -1.37 -0.40 0.00 -0.77 0.00 0.00 57.85 55.14 1a49 n ARG 454 Cb 0.57 -1.46 -0.11 0.00 -1.02 0.00 0.00 32.46 30.44 1a49 n ARG 454 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1a49 s ASN 455 N -1.83 5.56 0.40 0.55 3.84 -1.26 -4.83 114.94 117.37 1a49 s ASN 455 Ca 0.34 -1.31 0.07 0.00 0.21 0.00 0.00 52.86 52.17 1a49 s ASN 455 Cb 0.20 -1.96 0.81 0.00 -0.55 0.00 0.00 41.25 39.75 1a49 s ASN 455 CO 0.31 -0.45 2.03 0.45 -2.79 0.00 0.00 177.10 176.65 1a49 h HIS 456 N 8.35 0.52 0.18 0.43 3.86 -1.96 0.11 115.15 126.65 1a49 h HIS 456 Ca -0.23 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.97 1a49 h HIS 456 Cb 1.09 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.39 1a49 h HIS 456 CO 0.60 0.36 -0.09 0.37 0.86 0.00 0.00 177.93 180.03 1a49 h GLN 457 N 0.55 -0.23 -0.96 2.45 4.15 -1.97 -1.09 115.11 118.01 1a49 h GLN 457 Ca 0.14 0.02 0.23 0.00 0.77 0.00 0.00 58.65 59.81 1a49 h GLN 457 Cb 0.01 0.05 -0.12 0.00 0.21 0.00 0.00 27.48 27.63 1a49 h GLN 457 CO -0.02 0.16 0.51 1.15 -1.93 0.00 0.00 178.83 178.69 1a49 h THR 458 N -0.71 0.53 0.17 2.39 2.02 -1.79 0.78 112.91 116.30 1a49 h THR 458 Ca -0.02 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1a49 h THR 458 Cb 0.50 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1a49 h THR 458 CO 0.04 0.10 -0.08 0.00 0.37 0.00 0.00 175.52 175.95 1a49 h ALA 459 N 1.71 -0.23 -0.37 6.16 0.00 -0.63 -0.58 119.26 125.33 1a49 h ALA 459 Ca 0.60 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.34 1a49 h ALA 459 Cb 1.12 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1a49 h ALA 459 CO -0.48 -0.58 -0.10 0.00 0.00 0.00 0.00 179.25 178.08 1a49 h ARG 460 N -0.32 0.64 -0.61 0.00 3.08 0.38 -2.92 114.38 114.63 1a49 h ARG 460 Ca -0.02 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.79 1a49 h ARG 460 Cb 0.25 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1a49 h ARG 460 CO 0.04 0.73 0.23 1.96 -1.07 0.00 0.00 179.97 181.86 1a49 h GLN 461 N 0.59 0.90 -0.62 0.04 4.20 0.79 -2.79 115.11 118.23 1a49 h GLN 461 Ca 0.11 -0.15 0.18 0.00 0.06 0.00 0.00 58.65 58.84 1a49 h GLN 461 Cb 0.52 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1a49 h GLN 461 CO 0.03 0.75 0.55 0.00 -0.67 0.00 0.00 178.83 179.50 1a49 h ALA 462 N 1.36 2.43 -0.09 3.87 0.00 -0.90 0.15 119.26 126.08 1a49 h ALA 462 Ca 0.21 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1a49 h ALA 462 Cb 0.20 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1a49 h ALA 462 CO -0.02 -0.87 0.17 0.45 0.00 0.00 0.00 179.25 178.98 1a49 h HIS 463 N 0.00 0.00 0.00 0.00 3.86 -1.63 -1.53 115.15 115.85 1a49 h HIS 463 Ca 0.29 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.50 1a49 h HIS 463 Cb 1.40 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.87 1a49 h HIS 463 CO 0.00 0.00 -0.00 1.25 0.86 0.00 0.00 177.93 180.04 1a49 h LEU 464 N 0.00 0.00 -9.38 2.43 5.85 -0.91 -3.40 115.31 109.89 1a49 h LEU 464 Ca 0.05 0.00 -0.65 0.00 0.84 0.00 0.00 57.88 58.12 1a49 h LEU 464 Cb 0.39 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.30 1a49 h LEU 464 CO -0.00 0.00 -0.53 -0.31 -0.34 0.00 0.00 178.44 177.27 1a49 s TYR 465 N -5.04 3.40 0.04 1.25 1.51 -0.58 -4.49 117.35 113.44 1a49 s TYR 465 Ca -0.05 0.32 -0.33 0.00 -1.01 0.00 0.00 57.07 56.01 1a49 s TYR 465 Cb 0.17 -1.98 -0.12 0.00 -0.11 0.00 0.00 41.96 39.93 1a49 s TYR 465 CO 0.66 0.48 1.82 -2.13 -1.11 0.00 0.00 175.55 175.27 1a49 n ARG 466 N 2.62 2.42 -0.84 -0.62 3.00 -1.26 -2.52 116.66 119.45 1a49 n ARG 466 Ca -0.18 0.88 0.00 0.00 -0.00 0.00 0.00 57.85 58.55 1a49 n ARG 466 Cb 0.54 -2.74 0.00 0.00 0.00 0.00 0.00 32.46 30.26 1a49 n ARG 466 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a49 n GLY 467 N 4.16 0.75 3.66 5.14 0.00 0.12 -4.73 105.19 114.29 1a49 n GLY 467 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1a49 n GLY 467 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a49 s ILE 468 N -2.86 5.16 -0.62 -0.61 1.01 -1.05 -1.15 121.20 121.09 1a49 s ILE 468 Ca 0.00 0.77 -0.08 0.00 0.00 0.00 0.00 60.65 61.34 1a49 s ILE 468 Cb 0.00 -3.76 0.16 0.00 0.01 0.00 0.00 42.46 38.87 1a49 s ILE 468 CO 0.00 0.21 0.49 -0.36 0.00 0.00 0.00 174.94 175.28 1a49 s PHE 469 N 1.53 3.51 0.44 3.97 0.40 0.18 -4.65 117.98 123.36 1a49 s PHE 469 Ca 0.20 -2.21 -0.23 0.00 -0.60 0.00 0.00 56.93 54.09 1a49 s PHE 469 Cb -0.15 -3.48 -0.08 0.00 0.51 0.00 0.00 43.02 39.82 1a49 s PHE 469 CO 0.09 -0.94 1.13 -1.25 0.70 0.00 0.00 175.22 174.94 1a49 s PRO 470 N 0.53 3.89 -0.13 0.24 0.04 -1.26 0.55 135.00 138.87 1a49 s PRO 470 Ca 0.13 1.69 -0.04 0.00 0.04 0.00 0.00 61.00 62.81 1a49 s PRO 470 Cb -0.20 -2.45 0.06 0.00 0.04 0.00 0.00 34.50 31.96 1a49 s PRO 470 CO -0.04 -0.42 0.24 0.08 0.04 0.00 0.00 177.00 176.90 1a49 s VAL 471 N -1.59 -0.37 0.10 -0.36 1.01 0.15 -4.81 120.40 114.53 1a49 s VAL 471 Ca 0.62 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 62.55 1a49 s VAL 471 Cb -0.26 -0.44 -0.06 0.00 0.00 0.00 0.00 36.38 35.62 1a49 s VAL 471 CO 0.32 0.09 1.06 -0.69 0.00 0.00 0.00 175.10 175.88 1a49 s VAL 472 N 2.38 4.25 -0.34 2.92 1.01 -1.26 -1.37 120.40 128.00 1a49 s VAL 472 Ca 0.02 1.78 -0.13 0.00 0.00 0.00 0.00 61.98 63.66 1a49 s VAL 472 Cb -0.12 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 1a49 s VAL 472 CO -0.08 0.23 0.24 0.00 0.00 0.00 0.00 175.10 175.49 1a49 n LYS 474 N 5.10 1.39 -1.96 0.00 5.02 -1.26 -4.26 118.16 122.19 1a49 n LYS 474 Ca -0.13 -1.13 -0.33 0.00 -2.02 0.00 0.00 58.31 54.70 1a49 n LYS 474 Cb 0.50 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 34.05 1a49 n LYS 474 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a49 s ASP 475 N -2.39 5.45 0.53 4.39 1.01 -1.26 -5.00 116.67 119.40 1a49 s ASP 475 Ca 0.21 1.99 -0.19 0.00 0.71 0.00 0.00 52.55 55.26 1a49 s ASP 475 Cb 0.19 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.50 1a49 s ASP 475 CO 0.52 -1.40 1.10 -2.84 0.21 0.00 0.00 175.17 172.76 1a49 s PRO 476 N -3.89 3.47 0.00 8.23 0.02 -1.26 -4.95 135.00 136.62 1a49 s PRO 476 Ca 0.67 1.51 -0.30 0.00 0.02 0.00 0.00 61.00 62.90 1a49 s PRO 476 Cb -0.20 -2.03 -0.06 0.00 0.02 0.00 0.00 34.50 32.23 1a49 s PRO 476 CO 0.37 -0.73 1.52 0.08 -0.33 0.00 0.00 177.00 177.90 1a49 s VAL 477 N -1.89 3.52 0.48 3.83 1.01 -1.26 -5.00 120.40 121.09 1a49 s VAL 477 Ca 0.70 0.86 -0.22 0.00 0.00 0.00 0.00 61.98 63.33 1a49 s VAL 477 Cb -0.21 -3.56 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 1a49 s VAL 477 CO 0.26 -0.02 1.13 -1.10 0.00 0.00 0.00 175.10 175.36 1a49 s GLN 478 N 2.84 3.67 0.32 2.72 -1.52 -1.26 -4.95 119.66 121.48 1a49 s GLN 478 Ca 0.68 1.65 0.06 0.00 -1.95 0.00 0.00 55.36 55.80 1a49 s GLN 478 Cb -0.34 -2.25 0.56 0.00 -0.22 0.00 0.00 33.01 30.77 1a49 s GLN 478 CO 0.28 -0.60 1.80 1.49 -0.25 0.00 0.00 175.29 178.01 1a49 h GLU 479 N 1.75 0.34 -4.39 2.91 4.81 -2.00 -3.41 114.58 114.59 1a49 h GLU 479 Ca -0.49 -0.11 -0.73 0.00 -0.13 0.00 0.00 59.36 57.89 1a49 h GLU 479 Cb 1.25 -0.03 -0.22 0.00 0.63 0.00 0.00 28.75 30.37 1a49 h GLU 479 CO 0.59 0.56 -0.38 0.00 -0.73 0.00 0.00 179.01 179.05 1a49 s ALA 480 N -4.53 3.51 0.27 2.92 0.00 -1.26 -5.00 121.76 117.68 1a49 s ALA 480 Ca -0.06 -1.96 -0.09 0.00 0.00 0.00 0.00 51.96 49.85 1a49 s ALA 480 Cb 0.14 -2.98 0.44 0.00 0.00 0.00 0.00 23.12 20.72 1a49 s ALA 480 CO 0.76 -1.62 1.55 1.87 0.00 0.00 0.00 175.76 178.33 1a49 n TRP 481 N 5.17 0.33 -0.17 0.00 -0.00 -1.26 -0.11 117.44 121.39 1a49 n TRP 481 Ca -0.12 1.22 -0.09 0.00 -0.00 0.00 0.00 57.50 58.51 1a49 n TRP 481 Cb 0.45 -1.06 0.01 0.00 -0.00 0.00 0.00 31.31 30.71 1a49 n TRP 481 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1a49 h ALA 482 N 1.93 0.65 -0.35 5.87 0.00 -1.94 0.15 119.26 125.56 1a49 h ALA 482 Ca 0.46 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1a49 h ALA 482 Cb 0.71 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1a49 h ALA 482 CO -1.02 0.31 0.21 0.93 0.00 0.00 0.00 179.25 179.68 1a49 h GLU 483 N 0.67 0.48 -0.62 0.00 5.08 -1.10 0.82 114.58 119.90 1a49 h GLU 483 Ca 0.16 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1a49 h GLU 483 Cb 0.29 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1a49 h GLU 483 CO -0.00 0.36 0.38 0.22 -1.00 0.00 0.00 179.01 178.96 1a49 h ASP 484 N 0.46 0.60 0.22 1.42 3.58 -0.18 0.23 116.42 122.75 1a49 h ASP 484 Ca 0.13 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.59 1a49 h ASP 484 Cb 0.00 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 40.91 1a49 h ASP 484 CO -0.02 0.41 -0.29 0.58 -2.88 0.00 0.00 179.24 177.04 1a49 h VAL 485 N 0.73 0.38 -0.98 2.25 2.07 -0.64 -0.88 116.25 119.19 1a49 h VAL 485 Ca 0.26 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.89 1a49 h VAL 485 Cb 0.05 0.38 -0.08 0.00 -1.52 0.00 0.00 31.29 30.12 1a49 h VAL 485 CO -0.12 0.00 0.61 0.44 0.02 0.00 0.00 177.57 178.52 1a49 h ASP 486 N -0.57 0.90 -0.10 0.57 3.32 -0.30 0.37 116.42 120.62 1a49 h ASP 486 Ca 0.01 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.12 1a49 h ASP 486 Cb 0.55 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.92 1a49 h ASP 486 CO -0.11 0.49 -0.40 0.25 -1.72 0.00 0.00 179.24 177.76 1a49 h LEU 487 N 0.98 -1.26 -0.79 1.55 6.46 -0.06 0.19 115.31 122.39 1a49 h LEU 487 Ca 0.48 0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 58.37 1a49 h LEU 487 Cb 0.44 0.49 -0.04 0.00 -0.73 0.00 0.00 40.66 40.82 1a49 h LEU 487 CO -0.25 -0.35 0.44 0.03 -0.62 0.00 0.00 178.44 177.68 1a49 h ARG 488 N -0.42 1.09 -0.48 1.25 3.08 -0.06 -2.81 114.38 116.02 1a49 h ARG 488 Ca 0.02 -0.12 0.06 0.00 0.07 0.00 0.00 59.98 60.01 1a49 h ARG 488 Cb 0.50 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 1a49 h ARG 488 CO -0.32 0.80 0.18 0.28 -1.07 0.00 0.00 179.97 179.83 1a49 h VAL 489 N 1.08 0.85 0.00 2.04 2.07 0.67 -1.50 116.25 121.46 1a49 h VAL 489 Ca 0.28 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 1a49 h VAL 489 Cb 0.01 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1a49 h VAL 489 CO -0.05 0.06 -0.15 0.78 0.02 0.00 0.00 177.57 178.24 1a49 h ASN 490 N 0.35 0.00 -0.21 0.57 2.35 -0.49 0.78 115.58 118.93 1a49 h ASN 490 Ca 0.23 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.87 1a49 h ASN 490 Cb 0.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1a49 h ASN 490 CO -0.22 0.15 -0.22 0.25 -1.65 0.00 0.00 177.43 175.74 1a49 h LEU 491 N 0.00 0.67 -0.32 1.61 5.85 -1.05 1.21 115.31 123.28 1a49 h LEU 491 Ca -0.00 -0.23 -0.18 0.00 0.84 0.00 0.00 57.88 58.31 1a49 h LEU 491 Cb 0.27 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1a49 h LEU 491 CO 0.02 0.88 -0.49 0.00 -0.34 0.00 0.00 178.44 178.51 1a49 h ALA 492 N 1.17 0.49 -0.67 1.25 0.00 -0.19 -0.55 119.26 120.77 1a49 h ALA 492 Ca 0.09 -0.49 0.10 0.00 0.00 0.00 0.00 54.91 54.60 1a49 h ALA 492 Cb 0.69 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 1a49 h ALA 492 CO 0.05 0.67 0.29 0.52 0.00 0.00 0.00 179.25 180.78 1a49 h MET 493 N 0.69 0.48 -0.16 0.00 2.86 0.23 -1.79 114.93 117.24 1a49 h MET 493 Ca 0.03 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1a49 h MET 493 Cb 1.10 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 1a49 h MET 493 CO 0.11 0.32 0.04 -0.91 1.06 0.00 0.00 176.91 177.53 1a49 h ASN 494 N 0.49 0.24 0.06 1.22 4.21 0.17 -2.23 115.58 119.75 1a49 h ASN 494 Ca 0.34 -0.22 0.02 0.00 1.21 0.00 0.00 56.30 57.65 1a49 h ASN 494 Cb 0.41 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.53 1a49 h ASN 494 CO -0.31 0.40 -0.15 0.58 -1.29 0.00 0.00 177.43 176.66 1a49 h VAL 495 N 0.07 0.65 -0.86 2.81 2.07 -0.49 0.67 116.25 121.17 1a49 h VAL 495 Ca 0.05 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.71 1a49 h VAL 495 Cb 0.25 0.65 -0.09 0.00 -1.52 0.00 0.00 31.29 30.57 1a49 h VAL 495 CO -0.00 0.00 0.46 1.23 0.02 0.00 0.00 177.57 179.28 1a49 h GLY 496 N -0.28 1.39 1.01 2.17 0.00 -1.40 1.44 103.07 107.40 1a49 h GLY 496 Ca 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1a49 h GLY 496 CO -0.10 0.01 -0.19 0.50 0.00 0.00 0.00 176.54 176.76 1a49 h LYS 497 N 0.68 -0.50 0.04 4.80 6.56 -0.68 1.54 116.57 129.01 1a49 h LYS 497 Ca 0.46 0.03 0.03 0.00 -1.06 0.00 0.00 60.65 60.11 1a49 h LYS 497 Cb 0.59 0.11 -0.05 0.00 -0.57 0.00 0.00 32.23 32.32 1a49 h LYS 497 CO -0.33 -0.34 -0.33 0.00 -2.06 0.00 0.00 179.45 176.39 1a49 h ALA 498 N 0.10 -0.52 0.00 3.86 0.00 0.21 -1.18 119.26 121.73 1a49 h ALA 498 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1a49 h ALA 498 Cb 0.40 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1a49 h ALA 498 CO 0.09 -0.86 0.00 0.54 0.00 0.00 0.00 179.25 179.02 1a49 n ARG 499 N -5.42 0.54 -3.04 0.00 1.74 0.48 -4.84 116.66 106.12 1a49 n ARG 499 Ca -0.06 0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 56.92 1a49 n ARG 499 Cb 0.33 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.33 1a49 n ARG 499 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a49 n GLY 500 N 0.22 -0.02 0.09 -0.13 0.00 0.74 -4.89 105.19 101.18 1a49 n GLY 500 Ca 0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 1a49 n GLY 500 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1a49 n PHE 501 N -3.51 1.00 -3.86 1.61 3.72 0.49 -4.75 117.46 112.16 1a49 n PHE 501 Ca -0.09 0.35 -0.10 0.00 -0.05 0.00 0.00 57.45 57.56 1a49 n PHE 501 Cb 0.57 -1.15 0.01 0.00 -0.94 0.00 0.00 39.48 37.97 1a49 n PHE 501 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 1a49 s PHE 502 N -2.71 0.29 0.40 1.38 -0.12 -1.23 -4.89 117.98 111.09 1a49 s PHE 502 Ca -0.04 -0.88 0.05 0.00 -0.05 0.00 0.00 56.93 56.01 1a49 s PHE 502 Cb 0.08 0.66 -0.02 0.00 -0.63 0.00 0.00 43.02 43.11 1a49 s PHE 502 CO 0.82 -1.48 0.19 1.63 -0.05 0.00 0.00 175.22 176.33 1a49 n LYS 503 N -0.54 0.53 -1.77 1.99 5.02 -1.26 -4.45 118.16 117.67 1a49 n LYS 503 Ca -0.06 -3.50 -0.41 0.00 -2.02 0.00 0.00 58.31 52.31 1a49 n LYS 503 Cb 0.60 2.16 -0.00 0.00 -0.02 0.00 0.00 35.03 37.77 1a49 n LYS 503 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1a49 s LYS 504 N -3.54 4.10 -0.56 1.97 2.20 -1.26 -1.10 119.74 121.54 1a49 s LYS 504 Ca 0.27 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.47 1a49 s LYS 504 Cb 0.01 -2.97 0.00 0.00 -1.51 0.00 0.00 37.83 33.36 1a49 s LYS 504 CO 0.19 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 175.01 1a49 n GLY 505 N 0.87 0.79 3.93 5.54 0.00 0.33 -4.91 105.19 111.74 1a49 n GLY 505 Ca 0.03 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 1a49 n GLY 505 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a49 s ASP 506 N -2.81 6.36 -0.07 1.61 1.01 -0.26 -4.81 116.67 117.69 1a49 s ASP 506 Ca 0.00 0.26 -0.01 0.00 0.71 0.00 0.00 52.55 53.51 1a49 s ASP 506 Cb 0.00 -1.95 -0.03 0.00 1.01 0.00 0.00 42.92 41.94 1a49 s ASP 506 CO 0.00 0.06 -0.01 -0.69 0.21 0.00 0.00 175.17 174.74 1a49 s VAL 507 N -1.71 4.23 0.03 -1.27 1.01 -1.26 0.18 120.40 121.60 1a49 s VAL 507 Ca 0.36 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1a49 s VAL 507 Cb -0.12 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1a49 s VAL 507 CO 0.28 0.58 -0.07 -0.69 0.00 0.00 0.00 175.10 175.19 1a49 s VAL 508 N -0.90 0.54 -0.12 2.92 1.01 0.19 0.29 120.40 124.32 1a49 s VAL 508 Ca 0.14 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 1a49 s VAL 508 Cb -0.11 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1a49 s VAL 508 CO 0.03 -0.17 0.31 -0.63 0.00 0.00 0.00 175.10 174.64 1a49 s ILE 509 N -0.89 5.27 -0.19 2.22 -1.09 -0.37 -0.61 121.20 125.54 1a49 s ILE 509 Ca -0.05 0.59 -0.01 0.00 -2.23 0.00 0.00 60.65 58.95 1a49 s ILE 509 Cb -0.07 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.18 1a49 s ILE 509 CO 0.00 0.45 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.35 1a49 s VAL 510 N -0.02 2.75 -0.29 2.92 1.01 0.22 0.75 120.40 127.75 1a49 s VAL 510 Ca 0.18 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 1a49 s VAL 510 Cb -0.14 -2.20 -0.00 0.00 0.00 0.00 0.00 36.38 34.03 1a49 s VAL 510 CO 0.06 0.49 0.11 -0.76 0.00 0.00 0.00 175.10 174.99 1a49 s LEU 511 N 1.24 3.86 0.34 3.92 1.43 1.03 -1.43 118.68 129.06 1a49 s LEU 511 Ca 0.03 -0.53 0.05 0.00 -1.03 0.00 0.00 54.13 52.64 1a49 s LEU 511 Cb -0.14 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1a49 s LEU 511 CO -0.06 -0.16 0.19 0.42 0.23 0.00 0.00 176.35 176.98 1a49 s THR 512 N 1.57 0.26 -0.12 5.49 -4.23 -0.56 -1.45 115.64 116.59 1a49 s THR 512 Ca 0.04 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.52 1a49 s THR 512 Cb -0.17 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 1a49 s THR 512 CO 0.04 0.00 -0.01 -0.83 -0.54 0.00 0.00 174.62 173.28 1a49 s GLY 513 N -3.42 1.81 0.08 3.99 0.00 -1.26 -0.70 107.32 107.82 1a49 s GLY 513 Ca 0.35 -0.81 -0.32 0.00 0.00 0.00 0.00 44.72 43.94 1a49 s GLY 513 CO 0.20 -0.36 1.62 -0.25 0.00 0.00 0.00 173.10 174.31 1a49 h TRP 514 N 5.78 -0.89 -3.79 1.90 2.91 -1.87 -3.44 115.95 116.55 1a49 h TRP 514 Ca -0.43 -0.01 -0.66 0.00 1.13 0.00 0.00 58.89 58.92 1a49 h TRP 514 Cb 1.19 0.33 -0.21 0.00 -0.51 0.00 0.00 29.16 29.95 1a49 h TRP 514 CO 0.59 -0.50 -0.85 1.03 -1.03 0.00 0.00 178.44 177.67 1a49 s ARG 515 N -6.03 1.37 0.24 2.65 0.52 -1.26 -5.00 118.95 111.43 1a49 s ARG 515 Ca -0.17 -1.35 -0.31 0.00 -0.52 0.00 0.00 55.73 53.38 1a49 s ARG 515 Cb 0.05 -1.79 -0.13 0.00 0.52 0.00 0.00 34.95 33.60 1a49 s ARG 515 CO 0.63 0.42 1.41 -0.35 0.02 0.00 0.00 175.30 177.42 1a49 n PRO 516 N 0.83 2.03 -2.75 3.54 -0.05 -1.26 -1.34 135.00 135.99 1a49 n PRO 516 Ca -0.17 0.72 -0.10 0.00 -0.05 0.00 0.00 63.50 63.90 1a49 n PRO 516 Cb 0.54 -2.38 0.05 0.00 -0.05 0.00 0.00 33.50 31.66 1a49 n PRO 516 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1a49 n GLY 517 N 2.15 -0.30 0.09 0.55 0.00 -1.26 -4.94 105.19 101.48 1a49 n GLY 517 Ca 0.12 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.39 1a49 n GLY 517 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1a49 n SER 518 N -2.53 0.77 0.00 1.61 2.88 -0.45 -4.99 113.62 110.91 1a49 n SER 518 Ca -0.10 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1a49 n SER 518 Cb 0.59 0.44 0.00 0.00 -0.75 0.00 0.00 64.21 64.49 1a49 n SER 518 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a49 n GLY 519 N 1.24 2.22 3.26 0.46 0.00 -1.26 -4.89 105.19 106.22 1a49 n GLY 519 Ca 0.01 -0.66 -0.17 0.00 0.00 0.00 0.00 46.02 45.20 1a49 n GLY 519 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a49 s PHE 520 N 0.00 1.56 -1.04 1.61 -0.71 -1.26 -5.00 117.98 113.14 1a49 s PHE 520 Ca 0.00 -1.56 -0.23 0.00 -1.04 0.00 0.00 56.93 54.10 1a49 s PHE 520 Cb 0.00 -0.68 0.01 0.00 -1.21 0.00 0.00 43.02 41.14 1a49 s PHE 520 CO 0.00 -0.78 1.69 0.99 -1.34 0.00 0.00 175.22 175.78 1a49 s THR 521 N -3.68 3.77 -1.64 -4.49 2.01 -1.26 -4.60 115.64 105.76 1a49 s THR 521 Ca 0.40 -0.82 0.12 0.00 0.31 0.00 0.00 61.69 61.70 1a49 s THR 521 Cb 0.04 -4.72 0.41 0.00 0.01 0.00 0.00 72.50 68.24 1a49 s THR 521 CO 0.22 -1.57 1.30 -0.46 -0.69 0.00 0.00 174.62 173.42 1a49 n ASN 522 N 10.86 2.71 -3.93 3.53 2.04 -1.01 -4.81 115.26 124.64 1a49 n ASN 522 Ca 0.39 -2.14 -0.23 0.00 -0.44 0.00 0.00 54.58 52.16 1a49 n ASN 522 Cb 0.49 -0.37 -0.17 0.00 -2.53 0.00 0.00 39.78 37.20 1a49 n ASN 522 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 1a49 s THR 523 N -1.57 0.80 -0.06 5.53 2.01 0.13 -4.81 115.64 117.67 1a49 s THR 523 Ca 0.30 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.08 1a49 s THR 523 Cb 0.18 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.90 1a49 s THR 523 CO 0.17 0.29 -0.18 -0.32 -0.69 0.00 0.00 174.62 173.90 1a49 s MET 524 N 0.97 2.06 0.03 4.92 1.75 -1.26 -1.50 119.30 126.27 1a49 s MET 524 Ca -0.10 -0.62 0.01 0.00 -1.25 0.00 0.00 55.69 53.73 1a49 s MET 524 Cb -0.15 -1.70 -0.02 0.00 2.84 0.00 0.00 34.83 35.81 1a49 s MET 524 CO 0.00 0.18 -0.05 1.03 -0.65 0.00 0.00 175.02 175.53 1a49 s ARG 525 N 0.27 0.39 -0.22 4.11 0.52 -0.52 -4.94 118.95 118.56 1a49 s ARG 525 Ca -0.10 -0.59 -0.12 0.00 -0.52 0.00 0.00 55.73 54.40 1a49 s ARG 525 Cb -0.14 -0.12 -0.05 0.00 0.52 0.00 0.00 34.95 35.16 1a49 s ARG 525 CO 0.04 0.01 0.21 0.08 0.02 0.00 0.00 175.30 175.66 1a49 s VAL 526 N -1.20 5.33 -0.00 3.52 1.01 -1.26 0.72 120.40 128.52 1a49 s VAL 526 Ca -0.11 0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.12 1a49 s VAL 526 Cb -0.09 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1a49 s VAL 526 CO -0.00 0.35 0.13 0.68 0.00 0.00 0.00 175.10 176.26 1a49 s VAL 527 N 0.94 0.07 0.33 2.92 -7.23 0.22 -4.97 120.40 112.68 1a49 s VAL 527 Ca 0.10 -0.61 -0.20 0.00 -1.81 0.00 0.00 61.98 59.47 1a49 s VAL 527 Cb -0.13 -0.39 -0.10 0.00 0.56 0.00 0.00 36.38 36.32 1a49 s VAL 527 CO 0.04 -0.33 0.83 -2.16 -0.31 0.00 0.00 175.10 173.16 1a49 s PRO 528 N -1.19 4.22 -0.03 4.82 0.04 -1.26 0.52 135.00 142.12 1a49 s PRO 528 Ca -0.13 0.95 -0.29 0.00 0.04 0.00 0.00 61.00 61.58 1a49 s PRO 528 Cb -0.07 -2.53 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 1a49 s PRO 528 CO 0.01 0.18 0.95 0.08 0.04 0.00 0.00 177.00 178.26 1a49 s VAL 529 N -1.87 4.88 -2.00 -0.36 1.01 0.47 -4.88 120.40 117.65 1a49 s VAL 529 Ca 0.53 1.97 0.15 0.00 0.00 0.00 0.00 61.98 64.63 1a49 s VAL 529 Cb -0.13 -4.28 0.42 0.00 0.00 0.00 0.00 36.38 32.39 1a49 s VAL 529 CO 0.18 0.14 1.30 -0.81 0.00 0.00 0.00 175.10 175.91