#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aj4 s ILE 10 N 0.00 2.71 0.08 1.34 -4.36 -1.26 -2.37 121.20 117.34 2aj4 s ILE 10 Ca 0.00 -1.38 -0.31 0.00 -0.26 0.00 0.00 60.65 58.71 2aj4 s ILE 10 Cb 0.00 -3.01 -0.06 0.00 1.25 0.00 0.00 42.46 40.64 2aj4 s ILE 10 CO 0.00 -0.02 1.21 -0.69 0.24 0.00 0.00 174.94 175.68 2aj4 s VAL 11 N -2.47 3.95 0.01 8.37 1.01 0.93 -4.56 120.40 127.64 2aj4 s VAL 11 Ca 0.47 1.43 -0.30 0.00 0.00 0.00 0.00 61.98 63.57 2aj4 s VAL 11 Cb -0.03 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 2aj4 s VAL 11 CO 0.27 0.13 1.42 -2.16 0.00 0.00 0.00 175.10 174.76 2aj4 s PRO 12 N 0.90 4.27 -0.16 2.72 0.04 -1.26 -4.76 135.00 136.75 2aj4 s PRO 12 Ca 0.58 2.00 -0.07 0.00 0.04 0.00 0.00 61.00 63.55 2aj4 s PRO 12 Cb -0.30 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.62 2aj4 s PRO 12 CO 0.30 -0.59 0.10 -1.21 0.04 0.00 0.00 177.00 175.64 2aj4 s GLU 13 N 2.41 3.78 0.15 4.56 2.02 -1.26 -1.14 118.70 129.22 2aj4 s GLU 13 Ca 0.65 -0.25 0.10 0.00 0.02 0.00 0.00 54.97 55.49 2aj4 s GLU 13 Cb -0.32 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 2aj4 s GLU 13 CO 0.27 0.47 -0.24 -0.06 0.02 0.00 0.00 175.26 175.72 2aj4 s PHE 14 N -0.17 2.15 0.42 1.61 0.40 0.40 -4.94 117.98 117.85 2aj4 s PHE 14 Ca 0.09 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.07 2aj4 s PHE 14 Cb -0.12 -1.13 -0.02 0.00 0.51 0.00 0.00 43.02 42.26 2aj4 s PHE 14 CO 0.01 0.36 0.12 0.54 0.70 0.00 0.00 175.22 176.94 2aj4 s ASN 15 N -2.27 2.90 0.17 1.36 2.20 -1.26 0.73 114.94 118.77 2aj4 s ASN 15 Ca 0.15 -1.67 -0.14 0.00 -0.94 0.00 0.00 52.86 50.25 2aj4 s ASN 15 Cb -0.09 0.50 0.08 0.00 -2.00 0.00 0.00 41.25 39.74 2aj4 s ASN 15 CO 0.07 -0.92 1.83 0.77 -2.94 0.00 0.00 177.10 175.90 2aj4 h SER 16 N 1.75 0.55 -0.05 3.54 4.64 -2.01 -2.68 113.55 119.29 2aj4 h SER 16 Ca -0.36 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 60.96 2aj4 h SER 16 Cb 1.28 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2aj4 h SER 16 CO 0.58 0.39 -0.01 0.77 -0.87 0.00 0.00 176.83 177.69 2aj4 h SER 17 N 0.65 -0.04 -0.98 4.97 4.64 -1.97 -3.49 113.55 117.33 2aj4 h SER 17 Ca 0.20 0.01 -0.79 0.00 -0.47 0.00 0.00 61.79 60.74 2aj4 h SER 17 Cb -0.03 0.03 0.04 0.00 -0.31 0.00 0.00 62.40 62.13 2aj4 h SER 17 CO -0.06 -0.01 0.15 0.00 -0.87 0.00 0.00 176.83 176.03 2aj4 n ALA 18 N -2.17 -3.27 -0.82 5.18 0.00 -1.01 -4.98 120.51 113.45 2aj4 n ALA 18 Ca -0.06 0.57 -0.31 0.00 0.00 0.00 0.00 53.44 53.64 2aj4 n ALA 18 Cb 0.05 -1.75 -0.04 0.00 0.00 0.00 0.00 19.45 17.71 2aj4 n ALA 18 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2aj4 n GLU 20 N 1.84 0.00 -4.04 0.00 1.02 -1.26 -5.02 120.64 113.17 2aj4 n GLU 20 Ca 0.21 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 57.02 2aj4 n GLU 20 Cb 0.06 -0.77 -0.06 0.00 -0.02 0.00 0.00 31.44 30.65 2aj4 n GLU 20 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2aj4 s LEU 21 N 0.41 4.04 0.23 -4.62 1.43 -1.26 -5.06 118.68 113.84 2aj4 s LEU 21 Ca 0.47 0.21 -0.31 0.00 -1.03 0.00 0.00 54.13 53.48 2aj4 s LEU 21 Cb -0.66 -2.34 -0.15 0.00 0.03 0.00 0.00 46.19 43.08 2aj4 s LEU 21 CO 0.32 0.28 1.14 -2.65 0.23 0.00 0.00 176.35 175.67 2aj4 n PRO 22 N 1.19 1.39 -0.25 1.29 -0.02 -1.26 -4.66 135.00 132.68 2aj4 n PRO 22 Ca -0.13 0.49 -0.07 0.00 -2.02 0.00 0.00 63.50 61.77 2aj4 n PRO 22 Cb 0.53 -1.97 -0.07 0.00 -0.02 0.00 0.00 33.50 31.97 2aj4 n PRO 22 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2aj4 h ARG 23 N 2.96 -0.03 -0.87 -0.52 2.43 -1.98 -0.95 114.38 115.42 2aj4 h ARG 23 Ca -0.42 0.00 0.23 0.00 -0.81 0.00 0.00 59.98 58.98 2aj4 h ARG 23 Cb 1.33 0.01 -0.14 0.00 -0.42 0.00 0.00 29.97 30.75 2aj4 h ARG 23 CO 0.67 -0.02 0.19 -1.35 -1.51 0.00 0.00 179.97 177.95 2aj4 h PRO 24 N -0.03 0.17 -0.00 0.20 0.11 -1.98 0.73 132.00 131.20 2aj4 h PRO 24 Ca 0.10 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 2aj4 h PRO 24 Cb 0.28 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 2aj4 h PRO 24 CO -0.59 0.11 0.00 -0.07 -0.21 0.00 0.00 178.00 177.25 2aj4 h LEU 25 N 0.18 0.01 -0.86 2.35 3.38 -1.67 -0.16 115.31 118.54 2aj4 h LEU 25 Ca 0.53 -0.24 0.13 0.00 0.09 0.00 0.00 57.88 58.39 2aj4 h LEU 25 Cb 1.06 -0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.72 2aj4 h LEU 25 CO -0.67 0.24 0.48 0.00 0.09 0.00 0.00 178.44 178.57 2aj4 h ALA 26 N 0.76 1.28 0.09 1.53 0.00 0.30 -0.65 119.26 122.58 2aj4 h ALA 26 Ca 0.00 0.06 -0.28 0.00 0.00 0.00 0.00 54.91 54.69 2aj4 h ALA 26 Cb 0.24 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.97 2aj4 h ALA 26 CO 0.00 0.01 -1.18 0.93 0.00 0.00 0.00 179.25 179.01 2aj4 h GLU 27 N 0.73 0.55 0.00 0.00 5.08 0.51 -3.43 114.58 118.02 2aj4 h GLU 27 Ca 0.45 -0.71 -0.29 0.00 -1.00 0.00 0.00 59.36 57.81 2aj4 h GLU 27 Cb 0.54 0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 2aj4 h GLU 27 CO -0.31 1.31 -2.08 1.63 -1.00 0.00 0.00 179.01 178.56 2aj4 n LYS 28 N -3.75 1.09 -0.12 2.33 5.02 -0.08 -4.73 118.16 117.91 2aj4 n LYS 28 Ca -0.12 0.04 -0.12 0.00 -2.02 0.00 0.00 58.31 56.10 2aj4 n LYS 28 Cb 0.96 -1.39 -0.07 0.00 -0.02 0.00 0.00 35.03 34.50 2aj4 n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2aj4 h PRO 30 N -0.39 -0.00 -0.25 0.00 0.11 -1.85 0.91 132.00 130.54 2aj4 h PRO 30 Ca 0.10 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 2aj4 h PRO 30 Cb 0.60 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 2aj4 h PRO 30 CO -0.57 -0.00 0.04 1.03 -0.21 0.00 0.00 178.00 178.30 2aj4 h SER 31 N -0.00 0.39 -0.06 -2.05 0.87 -1.76 -1.64 113.55 109.29 2aj4 h SER 31 Ca 0.46 -0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 2aj4 h SER 31 Cb 0.70 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 2aj4 h SER 31 CO -0.99 0.54 -0.04 -0.29 -0.53 0.00 0.00 176.83 175.52 2aj4 h ILE 32 N 0.21 1.14 -0.62 2.23 2.10 0.15 -0.92 117.51 121.81 2aj4 h ILE 32 Ca 0.08 -0.57 -0.01 0.00 1.08 0.00 0.00 64.86 65.43 2aj4 h ILE 32 Cb 0.31 1.05 -0.03 0.00 -1.09 0.00 0.00 36.82 37.07 2aj4 h ILE 32 CO 0.00 0.19 0.34 0.40 -1.08 0.00 0.00 178.15 178.00 2aj4 h ILE 33 N 0.26 1.20 -0.60 2.19 2.04 0.10 0.21 117.51 122.90 2aj4 h ILE 33 Ca 0.06 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 2aj4 h ILE 33 Cb 0.25 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 2aj4 h ILE 33 CO 0.01 0.21 0.22 0.11 0.00 0.00 0.00 178.15 178.70 2aj4 h LYS 34 N 0.84 0.91 -0.64 2.37 1.57 -0.25 -2.31 116.57 119.05 2aj4 h LYS 34 Ca 0.22 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2aj4 h LYS 34 Cb 0.04 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2aj4 h LYS 34 CO -0.04 0.79 0.39 0.87 -0.57 0.00 0.00 179.45 180.90 2aj4 h LYS 35 N 0.84 0.86 -0.33 3.15 1.57 -0.51 -0.65 116.57 121.51 2aj4 h LYS 35 Ca 0.20 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2aj4 h LYS 35 Cb 0.23 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2aj4 h LYS 35 CO -0.01 0.60 0.07 0.35 -0.57 0.00 0.00 179.45 179.89 2aj4 h PHE 36 N 0.88 0.56 -0.26 -1.35 3.57 -0.55 0.45 116.94 120.23 2aj4 h PHE 36 Ca 0.23 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.68 2aj4 h PHE 36 Cb -0.05 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 2aj4 h PHE 36 CO 0.00 0.58 0.12 0.82 -2.23 0.00 0.00 178.31 177.60 2aj4 h ILE 37 N 0.37 0.97 -0.73 1.41 2.04 -0.85 0.39 117.51 121.11 2aj4 h ILE 37 Ca 0.10 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 65.93 2aj4 h ILE 37 Cb 0.31 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 2aj4 h ILE 37 CO 0.00 0.05 0.48 0.28 0.00 0.00 0.00 178.15 178.96 2aj4 h SER 38 N 0.25 0.70 0.05 1.72 0.02 -0.95 1.38 113.55 116.73 2aj4 h SER 38 Ca 0.11 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 2aj4 h SER 38 Cb 0.05 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.45 2aj4 h SER 38 CO -0.09 0.46 -0.51 0.00 -1.14 0.00 0.00 176.83 175.54 2aj4 h ALA 39 N 1.60 -0.01 -0.01 3.77 0.00 0.46 -3.39 119.26 121.67 2aj4 h ALA 39 Ca 0.31 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2aj4 h ALA 39 Cb 0.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2aj4 h ALA 39 CO -0.10 0.25 -0.15 0.66 0.00 0.00 0.00 179.25 179.91 2aj4 n TYR 40 N -4.31 0.00 -3.52 0.00 4.02 0.12 -5.02 117.16 108.46 2aj4 n TYR 40 Ca -0.11 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.56 2aj4 n TYR 40 Cb 0.66 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 40.06 2aj4 n TYR 40 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2aj4 n ASP 41 N -0.10 -5.09 -3.60 7.72 2.03 0.47 -4.95 116.55 113.04 2aj4 n ASP 41 Ca 0.04 -0.55 -0.04 0.00 0.52 0.00 0.00 54.79 54.77 2aj4 n ASP 41 Cb 0.21 -4.94 -0.02 0.00 -0.72 0.00 0.00 41.12 35.64 2aj4 n ASP 41 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2aj4 s ALA 42 N -3.32 -2.07 0.06 -1.67 0.00 -1.25 -5.07 121.76 108.44 2aj4 s ALA 42 Ca 0.41 1.34 -0.17 0.00 0.00 0.00 0.00 51.96 53.54 2aj4 s ALA 42 Cb -0.18 0.04 -0.06 0.00 0.00 0.00 0.00 23.12 22.91 2aj4 s ALA 42 CO 0.71 -0.70 0.52 -1.59 0.00 0.00 0.00 175.76 174.70 2aj4 s LYS 43 N -2.50 4.09 0.95 0.00 -2.85 -1.26 -3.70 119.74 114.47 2aj4 s LYS 43 Ca 0.10 0.61 -0.12 0.00 -1.00 0.00 0.00 55.97 55.57 2aj4 s LYS 43 Cb 0.00 -3.19 0.16 0.00 -2.06 0.00 0.00 37.83 32.74 2aj4 s LYS 43 CO -0.05 0.63 1.09 -1.25 0.10 0.00 0.00 175.35 175.87 2aj4 s PRO 44 N -1.22 0.78 -0.18 1.78 0.04 -1.26 -4.89 135.00 130.04 2aj4 s PRO 44 Ca 0.29 0.91 -0.16 0.00 0.04 0.00 0.00 61.00 62.08 2aj4 s PRO 44 Cb -0.18 -1.75 -0.21 0.00 0.04 0.00 0.00 34.50 32.40 2aj4 s PRO 44 CO 0.17 -2.60 0.23 -0.25 0.04 0.00 0.00 177.00 174.59 2aj4 n ASP 45 N -4.14 1.95 -3.82 6.66 8.00 0.33 -4.77 116.55 120.77 2aj4 n ASP 45 Ca 0.07 0.34 -0.12 0.00 0.71 0.00 0.00 54.79 55.79 2aj4 n ASP 45 Cb 0.55 -0.92 -0.06 0.00 -0.02 0.00 0.00 41.12 40.67 2aj4 n ASP 45 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2aj4 s PHE 46 N -2.44 0.77 -0.10 1.24 -0.12 -1.10 -0.81 117.98 115.42 2aj4 s PHE 46 Ca -0.27 -1.06 -0.00 0.00 -0.05 0.00 0.00 56.93 55.55 2aj4 s PHE 46 Cb 0.07 -0.08 0.02 0.00 -0.63 0.00 0.00 43.02 42.40 2aj4 s PHE 46 CO 0.64 -0.95 -0.07 0.08 -0.05 0.00 0.00 175.22 174.87 2aj4 s VAL 47 N -3.76 0.94 -0.12 -2.49 1.01 0.49 -1.20 120.40 115.28 2aj4 s VAL 47 Ca 0.29 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 2aj4 s VAL 47 Cb 0.01 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 2aj4 s VAL 47 CO 0.13 0.35 0.10 0.00 0.00 0.00 0.00 175.10 175.69 2aj4 s ALA 48 N 1.59 3.71 0.05 5.51 0.00 0.34 -0.75 121.76 132.22 2aj4 s ALA 48 Ca 0.02 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.34 2aj4 s ALA 48 Cb -0.13 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.09 2aj4 s ALA 48 CO -0.06 0.55 -0.14 0.50 0.00 0.00 0.00 175.76 176.61 2aj4 s ARG 49 N -0.82 0.87 -0.17 0.00 3.52 -0.12 0.68 118.95 122.91 2aj4 s ARG 49 Ca 0.13 -0.84 -0.07 0.00 -0.13 0.00 0.00 55.73 54.82 2aj4 s ARG 49 Cb -0.12 -0.87 0.07 0.00 -1.56 0.00 0.00 34.95 32.48 2aj4 s ARG 49 CO 0.03 0.20 0.38 0.45 -0.81 0.00 0.00 175.30 175.56 2aj4 s SER 50 N -1.40 -0.27 0.89 -2.12 0.15 -0.76 -1.24 113.70 108.96 2aj4 s SER 50 Ca -0.00 0.87 -0.14 0.00 0.70 0.00 0.00 55.95 57.37 2aj4 s SER 50 Cb -0.09 0.97 0.14 0.00 -1.71 0.00 0.00 66.02 65.33 2aj4 s SER 50 CO 0.02 -0.21 1.24 -2.16 1.20 0.00 0.00 173.24 173.33 2aj4 s PRO 51 N 2.02 1.27 0.14 5.44 0.04 -1.26 -0.91 135.00 141.75 2aj4 s PRO 51 Ca -0.05 -0.13 -0.01 0.00 0.04 0.00 0.00 61.00 60.85 2aj4 s PRO 51 Cb -0.10 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.57 2aj4 s PRO 51 CO -0.12 -2.03 0.19 0.41 0.04 0.00 0.00 177.00 175.49 2aj4 n GLY 52 N -3.46 0.01 3.43 0.56 0.00 0.21 -4.04 105.19 101.90 2aj4 n GLY 52 Ca 0.11 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 2aj4 n GLY 52 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2aj4 s ARG 53 N -3.10 1.25 -0.02 1.61 1.04 -0.73 -2.30 118.95 116.70 2aj4 s ARG 53 Ca 0.12 -0.72 0.04 0.00 -1.04 0.00 0.00 55.73 54.13 2aj4 s ARG 53 Cb -0.01 0.52 -0.01 0.00 -2.04 0.00 0.00 34.95 33.41 2aj4 s ARG 53 CO 0.08 -0.52 -0.14 0.08 -0.04 0.00 0.00 175.30 174.76 2aj4 s VAL 54 N -3.82 1.14 -0.34 4.99 1.01 0.25 -4.54 120.40 119.09 2aj4 s VAL 54 Ca 0.05 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 2aj4 s VAL 54 Cb 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.44 2aj4 s VAL 54 CO -0.08 0.33 0.14 0.21 0.00 0.00 0.00 175.10 175.70 2aj4 s ASN 55 N -0.22 5.45 0.19 3.32 2.47 -1.26 0.13 114.94 125.02 2aj4 s ASN 55 Ca 0.03 -0.93 -0.10 0.00 0.42 0.00 0.00 52.86 52.28 2aj4 s ASN 55 Cb -0.07 -1.94 0.11 0.00 -1.45 0.00 0.00 41.25 37.90 2aj4 s ASN 55 CO -0.00 -0.31 1.77 -0.07 -3.72 0.00 0.00 177.10 174.77 2aj4 h LEU 56 N 8.31 0.92 -7.12 3.21 3.38 0.79 -3.44 115.31 121.36 2aj4 h LEU 56 Ca -0.27 -0.15 0.12 0.00 0.09 0.00 0.00 57.88 57.67 2aj4 h LEU 56 Cb 1.11 -0.24 -0.14 0.00 0.09 0.00 0.00 40.66 41.48 2aj4 h LEU 56 CO 0.63 0.81 0.49 -0.51 0.09 0.00 0.00 178.44 179.94 2aj4 s ILE 57 N -5.64 0.00 0.00 1.22 2.07 -1.21 -4.97 121.20 112.66 2aj4 s ILE 57 Ca -0.13 -0.12 0.00 0.00 -1.41 0.00 0.00 60.65 58.99 2aj4 s ILE 57 Cb 0.14 -1.19 0.00 0.00 0.13 0.00 0.00 42.46 41.54 2aj4 s ILE 57 CO 0.81 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 174.45 2aj4 n GLY 58 N -0.29 0.85 3.81 1.50 0.00 -1.26 -2.40 105.19 107.40 2aj4 n GLY 58 Ca -0.08 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 2aj4 n GLY 58 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2aj4 s GLU 59 N -1.96 4.08 -1.47 1.61 2.56 -1.26 -4.40 118.70 117.87 2aj4 s GLU 59 Ca 0.00 0.56 -0.08 0.00 0.00 0.00 0.00 54.97 55.46 2aj4 s GLU 59 Cb 0.00 -3.25 0.03 0.00 2.00 0.00 0.00 34.13 32.91 2aj4 s GLU 59 CO 0.00 0.62 0.80 0.72 -0.56 0.00 0.00 175.26 176.84 2aj4 n HIS 60 N 1.94 -2.23 0.00 5.30 8.25 -1.26 -4.84 115.22 122.38 2aj4 n HIS 60 Ca -0.12 0.70 0.00 0.00 -0.26 0.00 0.00 57.72 58.04 2aj4 n HIS 60 Cb 0.52 -4.33 0.00 0.00 1.12 0.00 0.00 29.99 27.29 2aj4 n HIS 60 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2aj4 n ILE 61 N -4.59 0.00 -0.03 1.59 -5.35 -1.26 -4.79 119.36 104.93 2aj4 n ILE 61 Ca -0.04 -0.25 -0.09 0.00 -0.27 0.00 0.00 62.75 62.10 2aj4 n ILE 61 Cb 0.58 0.79 -0.03 0.00 -1.74 0.00 0.00 39.64 39.24 2aj4 n ILE 61 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 2aj4 h ASP 62 N 0.00 -0.18 0.00 7.28 2.03 -1.84 0.22 116.42 123.93 2aj4 h ASP 62 Ca 0.00 0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.36 2aj4 h ASP 62 Cb 0.00 0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.62 2aj4 h ASP 62 CO 0.00 -0.07 0.00 0.00 -1.03 0.00 0.00 179.24 178.14 2aj4 n TYR 63 N -5.19 0.00 -0.02 4.15 0.18 -1.26 -0.05 117.16 114.97 2aj4 n TYR 63 Ca -0.03 0.00 0.05 0.00 1.88 0.00 0.00 57.90 59.80 2aj4 n TYR 63 Cb 0.12 0.00 0.12 0.00 -0.38 0.00 0.00 39.34 39.20 2aj4 n TYR 63 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2aj4 n ASP 65 N 0.46 -3.14 -4.81 0.00 8.00 0.93 -3.83 116.55 114.16 2aj4 n ASP 65 Ca 0.09 0.01 -0.35 0.00 0.71 0.00 0.00 54.79 55.25 2aj4 n ASP 65 Cb 0.37 -0.66 -0.06 0.00 -0.02 0.00 0.00 41.12 40.75 2aj4 n ASP 65 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2aj4 s PHE 66 N -1.97 3.57 0.39 1.24 0.40 -0.43 -4.35 117.98 116.82 2aj4 s PHE 66 Ca 0.00 1.47 -0.24 0.00 -0.60 0.00 0.00 56.93 57.56 2aj4 s PHE 66 Cb 0.00 -2.70 -0.09 0.00 0.51 0.00 0.00 43.02 40.74 2aj4 s PHE 66 CO 0.00 0.21 1.04 -1.12 0.70 0.00 0.00 175.22 176.05 2aj4 s SER 67 N -1.82 6.83 0.39 1.36 0.01 -1.26 -4.02 113.70 115.19 2aj4 s SER 67 Ca 0.49 2.02 0.04 0.00 1.31 0.00 0.00 55.95 59.81 2aj4 s SER 67 Cb -0.15 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.45 2aj4 s SER 67 CO 0.20 -0.44 0.06 0.68 0.41 0.00 0.00 173.24 174.15 2aj4 s VAL 68 N -1.64 1.18 -0.55 3.43 -7.23 -0.62 -4.89 120.40 110.07 2aj4 s VAL 68 Ca 0.57 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.79 2aj4 s VAL 68 Cb -0.22 -2.62 0.21 0.00 0.56 0.00 0.00 36.38 34.31 2aj4 s VAL 68 CO 0.27 0.00 0.55 -0.11 -0.31 0.00 0.00 175.10 175.50 2aj4 n LEU 69 N -0.88 1.85 -5.00 1.32 7.94 -1.01 -2.02 117.00 119.20 2aj4 n LEU 69 Ca -0.06 -4.99 -0.22 0.00 -1.11 0.00 0.00 56.01 49.63 2aj4 n LEU 69 Cb 0.66 -0.13 0.08 0.00 0.53 0.00 0.00 43.42 44.57 2aj4 n LEU 69 CO 0.41 1.94 0.47 -2.16 -1.11 0.00 0.00 177.39 176.95 2aj4 s PRO 70 N -1.39 1.97 -0.25 1.96 0.04 -1.22 0.13 135.00 136.25 2aj4 s PRO 70 Ca 0.33 -1.15 -0.20 0.00 0.04 0.00 0.00 61.00 60.03 2aj4 s PRO 70 Cb 0.08 -2.42 0.07 0.00 0.04 0.00 0.00 34.50 32.27 2aj4 s PRO 70 CO -0.11 -1.19 0.64 -1.17 0.04 0.00 0.00 177.00 175.21 2aj4 s LEU 71 N -4.97 -0.55 0.19 -3.56 2.96 0.35 -1.98 118.68 111.12 2aj4 s LEU 71 Ca 0.64 1.32 -0.23 0.00 -0.22 0.00 0.00 54.13 55.64 2aj4 s LEU 71 Cb -0.06 2.19 -0.08 0.00 0.50 0.00 0.00 46.19 48.73 2aj4 s LEU 71 CO 0.42 -0.23 0.74 0.00 -1.32 0.00 0.00 176.35 175.97 2aj4 s ALA 72 N 0.72 3.44 0.35 5.97 0.00 -1.26 0.85 121.76 131.83 2aj4 s ALA 72 Ca -0.03 0.26 0.09 0.00 0.00 0.00 0.00 51.96 52.28 2aj4 s ALA 72 Cb -0.05 -2.88 -0.06 0.00 0.00 0.00 0.00 23.12 20.13 2aj4 s ALA 72 CO -0.05 0.31 0.00 0.96 0.00 0.00 0.00 175.76 176.98 2aj4 s ILE 73 N -1.32 2.46 -0.67 0.00 -4.36 -0.97 0.16 121.20 116.49 2aj4 s ILE 73 Ca 0.39 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 2aj4 s ILE 73 Cb -0.20 -2.80 0.00 0.00 1.25 0.00 0.00 42.46 40.71 2aj4 s ILE 73 CO 0.23 -0.17 0.34 -0.67 0.24 0.00 0.00 174.94 174.92 2aj4 n ASP 74 N -0.94 0.86 -4.31 4.36 2.03 -1.26 -3.97 116.55 113.31 2aj4 n ASP 74 Ca -0.04 -1.04 -0.32 0.00 0.52 0.00 0.00 54.79 53.91 2aj4 n ASP 74 Cb 0.63 -0.26 -0.16 0.00 -0.72 0.00 0.00 41.12 40.62 2aj4 n ASP 74 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2aj4 s PHE 75 N -0.52 2.55 0.25 -0.67 0.40 -1.26 -5.03 117.98 113.70 2aj4 s PHE 75 Ca 0.00 -0.68 -0.02 0.00 -0.60 0.00 0.00 56.93 55.63 2aj4 s PHE 75 Cb 0.00 -1.66 0.01 0.00 0.51 0.00 0.00 43.02 41.88 2aj4 s PHE 75 CO 0.00 -0.19 0.37 -0.40 0.70 0.00 0.00 175.22 175.70 2aj4 n ASP 76 N 3.03 -1.03 -4.19 1.36 3.85 -1.26 0.64 116.55 118.95 2aj4 n ASP 76 Ca -0.18 -2.31 -0.31 0.00 -0.71 0.00 0.00 54.79 51.28 2aj4 n ASP 76 Cb 0.52 1.89 -0.17 0.00 -1.35 0.00 0.00 41.12 42.02 2aj4 n ASP 76 CO 0.00 0.00 0.00 -0.32 -1.01 0.00 0.00 177.20 175.87 2aj4 s MET 77 N -2.51 2.91 -0.07 0.11 -2.45 -0.08 -0.71 119.30 116.49 2aj4 s MET 77 Ca 0.19 -0.83 0.03 0.00 -1.25 0.00 0.00 55.69 53.84 2aj4 s MET 77 Cb -0.01 -2.23 -0.02 0.00 1.25 0.00 0.00 34.83 33.82 2aj4 s MET 77 CO 0.14 0.14 -0.16 -0.51 1.05 0.00 0.00 175.02 175.68 2aj4 s LEU 78 N 0.43 2.59 -0.22 4.11 1.43 -0.54 -1.82 118.68 124.66 2aj4 s LEU 78 Ca -0.17 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 2aj4 s LEU 78 Cb -0.17 -1.53 0.05 0.00 0.03 0.00 0.00 46.19 44.57 2aj4 s LEU 78 CO 0.07 0.28 -0.09 0.00 0.23 0.00 0.00 176.35 176.84 2aj4 s ALA 80 N 1.32 3.54 0.06 0.00 0.00 0.16 -0.50 121.76 126.34 2aj4 s ALA 80 Ca -0.04 -0.42 0.06 0.00 0.00 0.00 0.00 51.96 51.56 2aj4 s ALA 80 Cb -0.18 -2.77 -0.03 0.00 0.00 0.00 0.00 23.12 20.14 2aj4 s ALA 80 CO -0.07 -0.41 -0.18 0.08 0.00 0.00 0.00 175.76 175.19 2aj4 s VAL 81 N 1.56 1.41 -0.10 0.00 1.01 -0.34 -1.05 120.40 122.89 2aj4 s VAL 81 Ca 0.23 -1.20 0.02 0.00 0.00 0.00 0.00 61.98 61.03 2aj4 s VAL 81 Cb -0.15 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 34.97 2aj4 s VAL 81 CO 0.09 0.03 -0.15 -0.75 0.00 0.00 0.00 175.10 174.33 2aj4 s LYS 82 N -1.36 2.14 -0.10 2.72 2.20 -0.21 0.12 119.74 125.25 2aj4 s LYS 82 Ca 0.04 -0.54 -0.19 0.00 -0.36 0.00 0.00 55.97 54.91 2aj4 s LYS 82 Cb -0.09 -1.78 -0.04 0.00 -1.51 0.00 0.00 37.83 34.41 2aj4 s LYS 82 CO 0.02 -0.02 0.53 0.08 -0.36 0.00 0.00 175.35 175.61 2aj4 s VAL 83 N 0.84 5.15 0.26 4.02 1.01 -1.26 -1.78 120.40 128.63 2aj4 s VAL 83 Ca -0.10 1.08 0.09 0.00 0.00 0.00 0.00 61.98 63.05 2aj4 s VAL 83 Cb -0.15 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 2aj4 s VAL 83 CO 0.01 0.31 0.03 -0.76 0.00 0.00 0.00 175.10 174.69 2aj4 s LEU 84 N 0.64 3.32 -0.54 3.92 1.43 -1.01 -5.02 118.68 121.42 2aj4 s LEU 84 Ca 0.29 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.81 2aj4 s LEU 84 Cb -0.16 -1.85 0.14 0.00 0.03 0.00 0.00 46.19 44.35 2aj4 s LEU 84 CO 0.12 0.00 0.35 0.21 0.23 0.00 0.00 176.35 177.26 2aj4 s ASN 85 N -3.65 5.23 0.16 2.29 2.47 -1.26 -3.96 114.94 116.22 2aj4 s ASN 85 Ca 0.31 -2.55 0.10 0.00 0.42 0.00 0.00 52.86 51.14 2aj4 s ASN 85 Cb -0.07 -1.84 -0.04 0.00 -1.45 0.00 0.00 41.25 37.85 2aj4 s ASN 85 CO 0.21 -0.43 -0.24 -1.61 -3.72 0.00 0.00 177.10 171.31 2aj4 s GLU 86 N 0.38 1.40 0.03 0.43 2.02 -1.26 -5.02 118.70 116.68 2aj4 s GLU 86 Ca 0.14 -1.41 -0.25 0.00 0.02 0.00 0.00 54.97 53.47 2aj4 s GLU 86 Cb -0.21 -1.73 -0.18 0.00 0.10 0.00 0.00 34.13 32.10 2aj4 s GLU 86 CO -0.04 0.39 1.50 -0.22 0.02 0.00 0.00 175.26 176.91 2aj4 h LYS 87 N 3.53 -0.00 -3.24 1.61 3.64 -2.04 -3.36 116.57 116.71 2aj4 h LYS 87 Ca -0.47 0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.27 2aj4 h LYS 87 Cb 1.19 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.60 2aj4 h LYS 87 CO 0.44 0.25 -0.58 -0.80 -2.27 0.00 0.00 179.45 176.49 2aj4 s ASN 88 N -5.45 4.62 0.25 4.20 0.01 -1.26 -5.09 114.94 112.22 2aj4 s ASN 88 Ca -0.15 -3.44 -0.30 0.00 -0.71 0.00 0.00 52.86 48.27 2aj4 s ASN 88 Cb 0.04 -1.65 -0.14 0.00 0.41 0.00 0.00 41.25 39.90 2aj4 s ASN 88 CO 0.67 -0.16 1.16 -2.65 -1.51 0.00 0.00 177.10 174.60 2aj4 n PRO 89 N 2.54 1.49 -4.11 -0.60 -0.02 -1.26 -4.88 135.00 128.16 2aj4 n PRO 89 Ca 0.13 0.53 -0.13 0.00 -2.02 0.00 0.00 63.50 62.01 2aj4 n PRO 89 Cb 0.34 -2.01 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 2aj4 n PRO 89 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2aj4 s SER 90 N -0.21 0.47 -0.07 2.55 1.04 -1.26 -0.55 113.70 115.67 2aj4 s SER 90 Ca 0.65 -1.31 0.02 0.00 0.48 0.00 0.00 55.95 55.79 2aj4 s SER 90 Cb -0.73 0.56 0.01 0.00 0.10 0.00 0.00 66.02 65.96 2aj4 s SER 90 CO 0.56 -1.11 -0.13 -0.63 0.98 0.00 0.00 173.24 172.91 2aj4 s ILE 91 N -3.68 1.22 -0.15 -1.02 1.01 0.29 0.19 121.20 119.06 2aj4 s ILE 91 Ca 0.31 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.43 2aj4 s ILE 91 Cb 0.02 -1.11 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 2aj4 s ILE 91 CO 0.15 0.38 -0.11 -0.89 0.00 0.00 0.00 174.94 174.47 2aj4 s THR 92 N 0.72 3.10 -0.14 2.92 2.01 -0.88 0.61 115.64 123.99 2aj4 s THR 92 Ca -0.13 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.26 2aj4 s THR 92 Cb -0.16 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 70.03 2aj4 s THR 92 CO 0.03 0.50 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.50 2aj4 s LEU 93 N 0.64 2.24 -0.03 4.42 1.43 0.15 -1.29 118.68 126.24 2aj4 s LEU 93 Ca -0.06 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.54 2aj4 s LEU 93 Cb -0.15 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 2aj4 s LEU 93 CO 0.03 0.10 -0.17 -0.63 0.23 0.00 0.00 176.35 175.90 2aj4 s ILE 94 N 0.70 1.40 0.02 -0.59 1.01 0.43 -1.73 121.20 122.45 2aj4 s ILE 94 Ca -0.09 -0.73 0.08 0.00 0.00 0.00 0.00 60.65 59.91 2aj4 s ILE 94 Cb -0.16 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 2aj4 s ILE 94 CO 0.01 0.40 -0.23 0.21 0.00 0.00 0.00 174.94 175.33 2aj4 s ASN 95 N -0.19 3.35 0.50 3.58 3.84 -1.26 0.22 114.94 124.98 2aj4 s ASN 95 Ca 0.02 -0.49 0.27 0.00 0.21 0.00 0.00 52.86 52.86 2aj4 s ASN 95 Cb -0.09 -0.42 1.33 0.00 -0.55 0.00 0.00 41.25 41.52 2aj4 s ASN 95 CO 0.01 0.28 2.01 0.00 -2.79 0.00 0.00 177.10 176.61 2aj4 h ALA 96 N 4.96 1.22 -2.45 1.71 0.00 0.13 -3.42 119.26 121.42 2aj4 h ALA 96 Ca -0.46 -0.13 -0.63 0.00 0.00 0.00 0.00 54.91 53.69 2aj4 h ALA 96 Cb 1.14 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.77 2aj4 h ALA 96 CO 0.46 0.18 0.06 0.34 0.00 0.00 0.00 179.25 180.29 2aj4 s ASP 97 N -6.17 6.43 0.42 0.00 3.68 -1.26 -4.95 116.67 114.82 2aj4 s ASP 97 Ca -0.02 0.30 0.21 0.00 2.13 0.00 0.00 52.55 55.17 2aj4 s ASP 97 Cb 0.12 -2.30 1.17 0.00 -1.45 0.00 0.00 42.92 40.47 2aj4 s ASP 97 CO 0.60 -0.45 1.79 1.55 0.13 0.00 0.00 175.17 178.78 2aj4 h PRO 98 N 8.26 0.32 -0.90 4.34 0.13 -2.01 0.94 132.00 143.07 2aj4 h PRO 98 Ca -0.27 -0.02 0.23 0.00 -0.87 0.00 0.00 66.00 65.07 2aj4 h PRO 98 Cb 1.12 -0.07 -0.05 0.00 0.13 0.00 0.00 31.00 32.13 2aj4 h PRO 98 CO 0.78 0.21 0.62 0.87 -0.23 0.00 0.00 178.00 180.25 2aj4 h LYS 99 N 0.33 0.20 -4.53 0.86 1.57 -1.95 -3.35 116.57 109.70 2aj4 h LYS 99 Ca 0.58 -0.01 -0.71 0.00 -1.87 0.00 0.00 60.65 58.63 2aj4 h LYS 99 Cb 1.59 -0.05 -0.26 0.00 0.08 0.00 0.00 32.23 33.59 2aj4 h LYS 99 CO -0.24 0.13 -0.50 -0.06 -0.57 0.00 0.00 179.45 178.22 2aj4 s PHE 100 N -5.22 3.28 0.55 -1.35 0.40 0.32 -5.06 117.98 110.90 2aj4 s PHE 100 Ca -0.07 -1.22 -0.16 0.00 -0.60 0.00 0.00 56.93 54.88 2aj4 s PHE 100 Cb 0.22 -2.65 -0.06 0.00 0.51 0.00 0.00 43.02 41.04 2aj4 s PHE 100 CO 0.78 -0.74 1.02 0.00 0.70 0.00 0.00 175.22 176.97 2aj4 s ALA 101 N 1.50 2.93 0.32 5.36 0.00 -1.26 -4.38 121.76 126.22 2aj4 s ALA 101 Ca 0.02 0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.96 2aj4 s ALA 101 Cb -0.21 -3.17 -0.11 0.00 0.00 0.00 0.00 23.12 19.64 2aj4 s ALA 101 CO 0.05 -0.48 1.49 -1.14 0.00 0.00 0.00 175.76 175.68 2aj4 s GLN 102 N -4.08 4.18 0.11 0.00 0.74 -1.26 -4.83 119.66 114.52 2aj4 s GLN 102 Ca 0.61 2.47 0.06 0.00 0.05 0.00 0.00 55.36 58.56 2aj4 s GLN 102 Cb -0.13 -3.03 -0.04 0.00 1.10 0.00 0.00 33.01 30.92 2aj4 s GLN 102 CO 0.34 -0.50 -0.15 1.03 -0.55 0.00 0.00 175.29 175.45 2aj4 s ARG 103 N -1.17 1.02 -0.20 1.67 1.81 -0.71 -4.99 118.95 116.38 2aj4 s ARG 103 Ca 0.57 -1.18 -0.09 0.00 -1.72 0.00 0.00 55.73 53.31 2aj4 s ARG 103 Cb -0.45 -1.00 0.08 0.00 -0.45 0.00 0.00 34.95 33.13 2aj4 s ARG 103 CO 0.53 0.21 0.46 0.21 -0.68 0.00 0.00 175.30 176.02 2aj4 s LYS 104 N -2.37 0.40 0.06 3.54 2.36 -1.26 0.32 119.74 122.79 2aj4 s LYS 104 Ca 0.07 1.00 -0.07 0.00 -2.55 0.00 0.00 55.97 54.41 2aj4 s LYS 104 Cb -0.07 0.23 -0.01 0.00 -1.05 0.00 0.00 37.83 36.94 2aj4 s LYS 104 CO 0.03 -0.21 0.15 -0.59 1.55 0.00 0.00 175.35 176.28 2aj4 s PHE 105 N 2.13 0.17 0.11 4.03 -0.12 0.20 -4.96 117.98 119.54 2aj4 s PHE 105 Ca -0.05 -0.52 -0.16 0.00 -0.05 0.00 0.00 56.93 56.14 2aj4 s PHE 105 Cb -0.10 -0.10 -0.07 0.00 -0.63 0.00 0.00 43.02 42.12 2aj4 s PHE 105 CO -0.14 -0.45 0.54 -0.51 -0.05 0.00 0.00 175.22 174.61 2aj4 s ASP 106 N -2.47 6.89 -0.16 1.98 1.01 -1.26 0.10 116.67 122.76 2aj4 s ASP 106 Ca -0.00 1.12 -0.16 0.00 0.71 0.00 0.00 52.55 54.22 2aj4 s ASP 106 Cb 0.02 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.60 2aj4 s ASP 106 CO -0.07 0.18 0.39 -0.76 0.21 0.00 0.00 175.17 175.12 2aj4 s LEU 107 N -1.62 4.22 0.14 1.23 1.43 0.29 -4.93 118.68 119.44 2aj4 s LEU 107 Ca 0.34 0.61 -0.34 0.00 -1.03 0.00 0.00 54.13 53.71 2aj4 s LEU 107 Cb -0.16 -2.53 -0.14 0.00 0.03 0.00 0.00 46.19 43.38 2aj4 s LEU 107 CO 0.19 0.00 1.53 -2.65 0.23 0.00 0.00 176.35 175.65 2aj4 n PRO 108 N 3.94 1.94 0.04 1.29 -0.02 -1.26 -4.68 135.00 136.25 2aj4 n PRO 108 Ca -0.09 0.70 0.01 0.00 -2.02 0.00 0.00 63.50 62.10 2aj4 n PRO 108 Cb 0.51 -2.44 0.34 0.00 -0.02 0.00 0.00 33.50 31.89 2aj4 n PRO 108 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2aj4 h LEU 109 N 5.71 0.39 0.00 2.45 3.38 -1.95 -2.84 115.31 122.46 2aj4 h LEU 109 Ca -0.46 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.44 2aj4 h LEU 109 Cb 1.27 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2aj4 h LEU 109 CO 0.87 0.48 0.00 -0.90 0.09 0.00 0.00 178.44 178.98 2aj4 n ASP 110 N -4.29 0.00 0.00 -0.43 5.68 -1.26 -3.34 116.55 112.90 2aj4 n ASP 110 Ca 0.01 0.26 0.00 0.00 -0.50 0.00 0.00 54.79 54.56 2aj4 n ASP 110 Cb 0.24 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 2aj4 n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2aj4 n GLY 111 N 0.29 0.69 3.93 6.12 0.00 -1.07 -3.50 105.19 111.65 2aj4 n GLY 111 Ca 0.06 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 2aj4 n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aj4 s SER 112 N -2.28 4.92 0.46 1.61 1.04 -1.26 -4.81 113.70 113.37 2aj4 s SER 112 Ca 0.00 0.52 -0.17 0.00 0.48 0.00 0.00 55.95 56.78 2aj4 s SER 112 Cb 0.00 -1.21 -0.09 0.00 0.10 0.00 0.00 66.02 64.82 2aj4 s SER 112 CO 0.00 -1.54 0.93 -0.31 0.98 0.00 0.00 173.24 173.30 2aj4 s TYR 113 N -3.23 3.40 0.23 5.02 1.51 -1.26 -4.52 117.35 118.50 2aj4 s TYR 113 Ca 0.59 1.45 -0.30 0.00 -1.01 0.00 0.00 57.07 57.80 2aj4 s TYR 113 Cb -0.11 -2.75 -0.09 0.00 -0.11 0.00 0.00 41.96 38.90 2aj4 s TYR 113 CO 0.45 -0.21 0.95 0.08 -1.11 0.00 0.00 175.55 175.72 2aj4 s VAL 114 N -2.38 4.06 0.13 0.71 1.01 -1.26 -4.95 120.40 117.72 2aj4 s VAL 114 Ca 0.59 2.05 -0.30 0.00 0.00 0.00 0.00 61.98 64.31 2aj4 s VAL 114 Cb -0.10 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 31.91 2aj4 s VAL 114 CO 0.24 0.48 1.27 0.42 0.00 0.00 0.00 175.10 177.50 2aj4 s THR 115 N -1.08 3.57 -0.23 3.92 -4.23 -1.26 -5.02 115.64 111.31 2aj4 s THR 115 Ca 0.42 1.20 -0.05 0.00 -1.18 0.00 0.00 61.69 62.08 2aj4 s THR 115 Cb -0.26 -3.77 -0.02 0.00 1.34 0.00 0.00 72.50 69.79 2aj4 s THR 115 CO 0.32 0.14 0.01 -0.63 -0.54 0.00 0.00 174.62 173.92 2aj4 s ILE 116 N 0.60 3.82 -0.33 2.99 1.01 -1.26 -5.08 121.20 122.94 2aj4 s ILE 116 Ca 0.58 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.88 2aj4 s ILE 116 Cb -0.33 -2.75 0.07 0.00 0.01 0.00 0.00 42.46 39.45 2aj4 s ILE 116 CO 0.33 0.39 0.05 -0.62 0.00 0.00 0.00 174.94 175.09 2aj4 s ASP 117 N 1.44 4.93 0.55 3.58 2.15 -1.26 -4.95 116.67 123.12 2aj4 s ASP 117 Ca 0.05 -1.58 0.32 0.00 0.43 0.00 0.00 52.55 51.77 2aj4 s ASP 117 Cb -0.15 -1.72 1.60 0.00 -0.30 0.00 0.00 42.92 42.35 2aj4 s ASP 117 CO 0.00 -0.34 2.10 -0.65 -0.17 0.00 0.00 175.17 176.11 2aj4 h PRO 118 N 7.94 0.00 -0.61 4.34 0.11 -1.87 -2.78 132.00 139.13 2aj4 h PRO 118 Ca -0.17 0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.12 2aj4 h PRO 118 Cb 1.05 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 2aj4 h PRO 118 CO 0.57 0.08 0.82 0.66 -0.21 0.00 0.00 178.00 179.91 2aj4 h SER 119 N 0.00 0.00 -3.95 -2.05 4.64 -1.95 -3.37 113.55 106.87 2aj4 h SER 119 Ca -0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.63 2aj4 h SER 119 Cb 0.32 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.19 2aj4 h SER 119 CO 0.01 0.00 -0.80 -0.69 -0.87 0.00 0.00 176.83 174.48 2aj4 s VAL 120 N -4.43 2.81 -0.46 0.95 1.01 -1.05 -5.08 120.40 114.14 2aj4 s VAL 120 Ca -0.03 -1.19 -0.10 0.00 0.00 0.00 0.00 61.98 60.66 2aj4 s VAL 120 Cb 0.13 -2.19 0.11 0.00 0.00 0.00 0.00 36.38 34.43 2aj4 s VAL 120 CO 0.44 0.33 0.34 -0.55 0.00 0.00 0.00 175.10 175.66 2aj4 s SER 121 N -1.46 5.74 -0.05 3.32 0.15 -1.26 -4.95 113.70 115.19 2aj4 s SER 121 Ca 0.15 -1.78 -0.04 0.00 0.70 0.00 0.00 55.95 54.98 2aj4 s SER 121 Cb -0.10 -2.03 0.02 0.00 -1.71 0.00 0.00 66.02 62.19 2aj4 s SER 121 CO 0.05 -0.67 0.12 -0.62 1.20 0.00 0.00 173.24 173.33 2aj4 s ASP 122 N 2.60 -0.12 0.53 5.45 -1.08 -1.26 -5.06 116.67 117.74 2aj4 s ASP 122 Ca 0.05 0.24 0.19 0.00 -0.52 0.00 0.00 52.55 52.50 2aj4 s ASP 122 Cb -0.26 0.22 1.35 0.00 -1.46 0.00 0.00 42.92 42.78 2aj4 s ASP 122 CO 0.01 -0.06 2.14 4.11 0.52 0.00 0.00 175.17 181.89 2aj4 h TRP 123 N 6.15 0.00 0.00 -5.34 5.08 -1.96 -0.37 115.95 119.51 2aj4 h TRP 123 Ca -0.28 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.69 2aj4 h TRP 123 Cb 1.19 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.35 2aj4 h TRP 123 CO 0.41 0.00 0.00 0.66 -1.28 0.00 0.00 178.44 178.23 2aj4 h SER 124 N 0.00 0.00 -0.54 0.11 4.64 -1.97 -2.37 113.55 113.43 2aj4 h SER 124 Ca 0.03 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.30 2aj4 h SER 124 Cb 0.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 2aj4 h SER 124 CO -0.00 0.00 0.14 0.78 -0.87 0.00 0.00 176.83 176.88 2aj4 h ASN 125 N 0.00 0.81 -0.04 4.97 2.35 -1.46 0.29 115.58 122.50 2aj4 h ASN 125 Ca 0.00 -0.23 -0.08 0.00 -0.55 0.00 0.00 56.30 55.44 2aj4 h ASN 125 Cb 0.36 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2aj4 h ASN 125 CO 0.00 0.83 -0.22 1.88 -1.65 0.00 0.00 177.43 178.27 2aj4 h TYR 126 N 0.75 0.48 0.04 1.19 0.05 -1.55 0.09 116.97 118.03 2aj4 h TYR 126 Ca 0.17 -0.09 -0.00 0.00 0.05 0.00 0.00 58.73 58.86 2aj4 h TYR 126 Cb 0.33 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.95 2aj4 h TYR 126 CO 0.02 0.63 -0.02 0.35 -1.05 0.00 0.00 178.16 178.09 2aj4 h PHE 127 N 0.39 -0.05 -0.34 4.88 3.04 -1.20 -2.79 116.94 120.87 2aj4 h PHE 127 Ca 0.06 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.11 2aj4 h PHE 127 Cb 0.60 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.11 2aj4 h PHE 127 CO 0.02 0.29 0.27 0.87 -2.02 0.00 0.00 178.31 177.74 2aj4 h LYS 128 N -0.40 0.00 -0.27 1.11 1.57 0.15 0.76 116.57 119.49 2aj4 h LYS 128 Ca -0.01 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2aj4 h LYS 128 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2aj4 h LYS 128 CO 0.01 0.00 0.02 0.00 -0.57 0.00 0.00 179.45 178.91 2aj4 h GLY 130 N 0.25 0.12 0.95 0.00 0.00 -0.71 -2.68 103.07 101.00 2aj4 h GLY 130 Ca 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 2aj4 h GLY 130 CO 0.01 0.13 -0.10 -2.00 0.00 0.00 0.00 176.54 174.58 2aj4 h LEU 131 N 0.08 -0.23 -0.05 3.11 5.85 -0.76 -1.09 115.31 122.23 2aj4 h LEU 131 Ca -0.00 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.72 2aj4 h LEU 131 Cb 1.05 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 2aj4 h LEU 131 CO 0.08 -0.12 -0.32 -0.74 -0.34 0.00 0.00 178.44 177.00 2aj4 h HIS 132 N -0.33 -0.88 -0.83 1.25 2.76 -0.64 0.50 115.15 116.98 2aj4 h HIS 132 Ca -0.03 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.15 2aj4 h HIS 132 Cb 0.25 0.40 -0.04 0.00 1.55 0.00 0.00 27.41 29.57 2aj4 h HIS 132 CO -0.05 -0.41 0.41 -0.39 -1.30 0.00 0.00 177.93 176.20 2aj4 h VAL 133 N -0.45 1.25 -0.62 5.26 -1.51 -1.41 -0.80 116.25 117.98 2aj4 h VAL 133 Ca 0.07 -0.69 -0.01 0.00 -1.23 0.00 0.00 66.70 64.84 2aj4 h VAL 133 Cb 0.55 0.18 -0.03 0.00 -2.13 0.00 0.00 31.29 29.86 2aj4 h VAL 133 CO -0.30 0.30 0.34 0.00 -1.23 0.00 0.00 177.57 176.68 2aj4 h ALA 134 N 1.28 0.79 0.42 5.19 0.00 -0.33 -2.34 119.26 124.26 2aj4 h ALA 134 Ca 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2aj4 h ALA 134 Cb 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2aj4 h ALA 134 CO -0.04 0.31 -0.42 1.25 0.00 0.00 0.00 179.25 180.35 2aj4 h HIS 135 N 0.84 -1.15 -0.88 0.00 2.76 0.49 0.68 115.15 117.88 2aj4 h HIS 135 Ca 0.22 0.01 0.17 0.00 -2.20 0.00 0.00 60.37 58.57 2aj4 h HIS 135 Cb 0.05 0.45 -0.10 0.00 1.55 0.00 0.00 27.41 29.35 2aj4 h HIS 135 CO -0.01 -0.58 0.45 1.03 -1.30 0.00 0.00 177.93 177.53 2aj4 h SER 136 N -0.86 0.52 -0.20 3.26 0.87 -1.07 0.62 113.55 116.69 2aj4 h SER 136 Ca -0.04 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 2aj4 h SER 136 Cb 0.76 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 2aj4 h SER 136 CO -0.07 0.17 0.00 0.15 -0.53 0.00 0.00 176.83 176.56 2aj4 h PHE 137 N 0.59 0.39 -0.86 2.24 3.57 -1.11 -2.93 116.94 118.82 2aj4 h PHE 137 Ca 0.50 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.97 2aj4 h PHE 137 Cb 0.79 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.38 2aj4 h PHE 137 CO -0.09 0.55 0.57 -0.07 -2.23 0.00 0.00 178.31 177.04 2aj4 h LEU 138 N 0.12 0.93 -1.12 0.59 3.38 0.12 -1.04 115.31 118.29 2aj4 h LEU 138 Ca 0.06 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2aj4 h LEU 138 Cb 0.39 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2aj4 h LEU 138 CO 0.01 0.64 0.59 0.11 0.09 0.00 0.00 178.44 179.88 2aj4 h LYS 139 N 1.08 1.17 -0.16 1.13 1.57 -0.86 -0.06 116.57 120.44 2aj4 h LYS 139 Ca 0.34 -0.07 -0.18 0.00 -1.87 0.00 0.00 60.65 58.87 2aj4 h LYS 139 Cb 0.01 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.06 2aj4 h LYS 139 CO -0.10 0.78 -0.65 0.87 -0.57 0.00 0.00 179.45 179.79 2aj4 h LYS 140 N 1.21 0.59 -0.21 3.15 1.57 -1.07 -1.50 116.57 120.31 2aj4 h LYS 140 Ca 0.33 -0.43 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 2aj4 h LYS 140 Cb -0.13 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2aj4 h LYS 140 CO -0.07 1.05 -0.23 1.25 -0.57 0.00 0.00 179.45 180.88 2aj4 h LEU 141 N 0.43 0.56 -5.74 2.94 5.85 -0.66 -3.37 115.31 115.33 2aj4 h LEU 141 Ca -0.01 -0.49 -0.48 0.00 0.84 0.00 0.00 57.88 57.74 2aj4 h LEU 141 Cb 1.22 -0.16 -0.40 0.00 0.37 0.00 0.00 40.66 41.69 2aj4 h LEU 141 CO 0.12 0.93 -1.11 0.00 -0.34 0.00 0.00 178.44 178.04 2aj4 n ALA 142 N -2.46 2.63 -0.33 1.25 0.00 -0.09 -4.93 120.51 116.58 2aj4 n ALA 142 Ca -0.05 -3.57 0.28 0.00 0.00 0.00 0.00 53.44 50.09 2aj4 n ALA 142 Cb 0.42 -0.89 0.52 0.00 0.00 0.00 0.00 19.45 19.50 2aj4 n ALA 142 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2aj4 h PRO 143 N 2.99 0.13 -0.24 0.00 0.11 -1.42 0.48 132.00 134.04 2aj4 h PRO 143 Ca 0.08 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.25 2aj4 h PRO 143 Cb 0.93 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 31.94 2aj4 h PRO 143 CO 0.55 0.08 -0.26 0.93 -0.21 0.00 0.00 178.00 179.10 2aj4 h GLU 144 N 0.13 -0.26 -0.08 1.05 5.08 -1.92 0.88 114.58 119.46 2aj4 h GLU 144 Ca 0.79 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 59.07 2aj4 h GLU 144 Cb 1.95 0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.27 2aj4 h GLU 144 CO -0.71 -0.17 -0.32 0.00 -1.00 0.00 0.00 179.01 176.81 2aj4 h ARG 145 N -0.27 0.36 -0.05 2.33 3.08 -0.64 -3.38 114.38 115.81 2aj4 h ARG 145 Ca 0.14 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2aj4 h ARG 145 Cb 0.48 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2aj4 h ARG 145 CO -0.40 0.91 0.00 1.19 -1.07 0.00 0.00 179.97 180.60 2aj4 n PHE 146 N -4.42 0.04 0.28 3.04 3.01 0.82 -4.28 117.46 115.95 2aj4 n PHE 146 Ca -0.08 -0.02 -0.16 0.00 1.01 0.00 0.00 57.45 58.19 2aj4 n PHE 146 Cb 0.50 -0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.88 2aj4 n PHE 146 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2aj4 h ALA 147 N 4.09 -0.73 -0.04 4.37 0.00 0.60 -3.33 119.26 124.22 2aj4 h ALA 147 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2aj4 h ALA 147 Cb 0.87 0.35 -0.21 0.00 0.00 0.00 0.00 17.79 18.80 2aj4 h ALA 147 CO 0.00 -0.92 -0.79 -1.13 0.00 0.00 0.00 179.25 176.41 2aj4 n SER 148 N -5.42 1.47 -4.28 0.00 3.41 -1.26 -4.69 113.62 102.85 2aj4 n SER 148 Ca -0.11 -2.93 -0.18 0.00 -0.26 0.00 0.00 58.87 55.39 2aj4 n SER 148 Cb 0.32 -0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 63.75 2aj4 n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aj4 s ALA 149 N -1.73 1.67 0.67 7.33 0.00 -1.23 -4.01 121.76 124.46 2aj4 s ALA 149 Ca 0.36 -1.43 -0.10 0.00 0.00 0.00 0.00 51.96 50.79 2aj4 s ALA 149 Cb 0.38 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.44 2aj4 s ALA 149 CO -0.11 0.08 1.04 -1.25 0.00 0.00 0.00 175.76 175.51 2aj4 s PRO 150 N -3.09 2.85 0.60 0.00 0.04 -1.21 -3.78 135.00 130.41 2aj4 s PRO 150 Ca 0.14 0.31 -0.06 0.00 0.04 0.00 0.00 61.00 61.43 2aj4 s PRO 150 Cb -0.03 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.43 2aj4 s PRO 150 CO 0.04 -0.95 0.91 -0.51 0.04 0.00 0.00 177.00 176.52 2aj4 s LEU 151 N -5.25 3.21 0.56 -3.56 1.43 -1.26 -4.95 118.68 108.86 2aj4 s LEU 151 Ca 0.57 0.69 -0.21 0.00 -1.03 0.00 0.00 54.13 54.15 2aj4 s LEU 151 Cb -0.11 -3.51 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 2aj4 s LEU 151 CO 0.50 -1.10 1.35 0.00 0.23 0.00 0.00 176.35 177.32 2aj4 s ALA 152 N -3.01 2.75 0.86 4.21 0.00 -1.26 -4.89 121.76 120.42 2aj4 s ALA 152 Ca 0.54 1.32 -0.12 0.00 0.00 0.00 0.00 51.96 53.70 2aj4 s ALA 152 Cb -0.11 -3.57 0.10 0.00 0.00 0.00 0.00 23.12 19.55 2aj4 s ALA 152 CO 0.45 -1.41 1.10 0.20 0.00 0.00 0.00 175.76 176.10 2aj4 s GLY 153 N -1.03 1.61 0.09 0.00 0.00 -1.25 -4.83 107.32 101.92 2aj4 s GLY 153 Ca 0.73 -0.21 -0.15 0.00 0.00 0.00 0.00 44.72 45.10 2aj4 s GLY 153 CO 0.46 0.27 0.36 1.08 0.00 0.00 0.00 173.10 175.27 2aj4 s LEU 154 N -6.00 0.62 -0.20 0.66 1.43 0.13 -2.41 118.68 112.92 2aj4 s LEU 154 Ca 0.62 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 2aj4 s LEU 154 Cb -0.16 1.63 0.03 0.00 0.03 0.00 0.00 46.19 47.73 2aj4 s LEU 154 CO 0.55 -0.77 -0.17 -1.10 0.23 0.00 0.00 176.35 175.09 2aj4 s GLN 155 N -3.38 2.76 -0.04 1.70 -0.21 -0.74 -2.07 119.66 117.68 2aj4 s GLN 155 Ca 0.01 -0.93 0.06 0.00 0.02 0.00 0.00 55.36 54.52 2aj4 s GLN 155 Cb 0.01 -2.61 -0.01 0.00 1.00 0.00 0.00 33.01 31.40 2aj4 s GLN 155 CO -0.09 -0.30 -0.22 0.08 -2.12 0.00 0.00 175.29 172.64 2aj4 s VAL 156 N 1.26 1.80 -0.12 1.09 1.01 -0.41 -1.04 120.40 123.99 2aj4 s VAL 156 Ca 0.02 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.08 2aj4 s VAL 156 Cb -0.15 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.73 2aj4 s VAL 156 CO -0.11 0.51 -0.18 0.12 0.00 0.00 0.00 175.10 175.44 2aj4 s PHE 157 N -0.23 2.22 -0.09 5.22 5.36 -0.22 -0.43 117.98 129.81 2aj4 s PHE 157 Ca 0.00 -1.05 0.04 0.00 -0.96 0.00 0.00 56.93 54.97 2aj4 s PHE 157 Cb -0.11 -1.55 -0.00 0.00 -0.34 0.00 0.00 43.02 41.01 2aj4 s PHE 157 CO 0.02 -0.50 -0.23 0.00 -1.46 0.00 0.00 175.22 173.04 2aj4 s GLU 159 N 0.23 0.04 0.05 0.00 2.12 -0.98 0.87 118.70 121.02 2aj4 s GLU 159 Ca -0.15 0.15 0.07 0.00 0.36 0.00 0.00 54.97 55.41 2aj4 s GLU 159 Cb -0.17 -1.22 -0.03 0.00 0.26 0.00 0.00 34.13 32.97 2aj4 s GLU 159 CO 0.08 -0.54 -0.19 0.20 -0.54 0.00 0.00 175.26 174.27 2aj4 s GLY 160 N 2.19 1.57 0.00 -1.50 0.00 -1.26 -1.46 107.32 106.86 2aj4 s GLY 160 Ca 0.04 -1.21 0.07 0.00 0.00 0.00 0.00 44.72 43.62 2aj4 s GLY 160 CO -0.07 -1.11 0.93 2.09 0.00 0.00 0.00 173.10 174.93 2aj4 n ASP 161 N 1.51 2.06 -4.66 1.64 5.75 0.11 -4.94 116.55 118.01 2aj4 n ASP 161 Ca -0.16 -1.61 -0.43 0.00 -0.01 0.00 0.00 54.79 52.58 2aj4 n ASP 161 Cb 0.52 -0.07 -0.02 0.00 -1.03 0.00 0.00 41.12 40.52 2aj4 n ASP 161 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2aj4 s VAL 162 N -0.79 4.65 0.01 2.12 1.01 -1.22 -4.71 120.40 121.46 2aj4 s VAL 162 Ca 0.12 1.98 -0.34 0.00 0.00 0.00 0.00 61.98 63.74 2aj4 s VAL 162 Cb 0.07 -4.28 -0.12 0.00 0.00 0.00 0.00 36.38 32.05 2aj4 s VAL 162 CO 0.10 -0.15 1.80 -2.65 0.00 0.00 0.00 175.10 174.19 2aj4 n PRO 163 N 6.19 2.26 -2.37 2.72 -0.02 -1.26 -4.81 135.00 137.71 2aj4 n PRO 163 Ca 0.12 0.83 -0.38 0.00 -2.02 0.00 0.00 63.50 62.05 2aj4 n PRO 163 Cb 0.46 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.26 2aj4 n PRO 163 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2aj4 s THR 164 N 3.06 3.34 -1.59 3.45 -4.23 -1.26 -3.42 115.64 114.99 2aj4 s THR 164 Ca 0.88 1.09 -0.01 0.00 -1.18 0.00 0.00 61.69 62.46 2aj4 s THR 164 Cb -0.66 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 69.59 2aj4 s THR 164 CO 0.46 0.07 0.20 0.61 -0.54 0.00 0.00 174.62 175.41 2aj4 n GLY 165 N 0.55 -0.43 0.30 3.99 0.00 -1.26 -4.83 105.19 103.50 2aj4 n GLY 165 Ca 0.05 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.14 2aj4 n GLY 165 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2aj4 n SER 166 N -1.88 1.54 -0.18 1.61 3.41 -1.22 -0.92 113.62 115.98 2aj4 n SER 166 Ca -0.19 -1.27 -0.02 0.00 -0.26 0.00 0.00 58.87 57.13 2aj4 n SER 166 Cb 0.65 0.65 -0.01 0.00 -0.26 0.00 0.00 64.21 65.24 2aj4 n SER 166 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aj4 n GLY 167 N 1.35 0.56 1.00 5.00 0.00 -1.26 -1.35 105.19 110.49 2aj4 n GLY 167 Ca 0.07 -0.46 0.09 0.00 0.00 0.00 0.00 46.02 45.71 2aj4 n GLY 167 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aj4 n LEU 168 N -0.26 3.40 -2.95 0.99 4.77 -1.26 -4.27 117.00 117.42 2aj4 n LEU 168 Ca -0.02 -1.92 -0.13 0.00 -0.03 0.00 0.00 56.01 53.91 2aj4 n LEU 168 Cb 0.12 -0.34 0.06 0.00 -2.33 0.00 0.00 43.42 40.93 2aj4 n LEU 168 CO 0.03 0.84 0.04 -0.24 -1.33 0.00 0.00 177.39 176.73 2aj4 n SER 169 N 1.11 -4.98 0.20 -1.43 2.88 -1.26 -1.78 113.62 108.36 2aj4 n SER 169 Ca 0.18 -0.57 0.04 0.00 -1.33 0.00 0.00 58.87 57.19 2aj4 n SER 169 Cb 0.52 -4.36 0.41 0.00 -0.75 0.00 0.00 64.21 60.04 2aj4 n SER 169 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2aj4 h SER 170 N -1.04 0.00 -0.29 -3.46 0.87 -1.87 -2.16 113.55 105.61 2aj4 h SER 170 Ca -0.50 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.13 2aj4 h SER 170 Cb 1.26 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.16 2aj4 h SER 170 CO 0.37 0.32 -0.12 0.77 -0.53 0.00 0.00 176.83 177.65 2aj4 h SER 171 N 0.00 -0.40 0.49 6.23 4.64 -1.95 -1.20 113.55 121.36 2aj4 h SER 171 Ca -0.00 0.10 -0.21 0.00 -0.47 0.00 0.00 61.79 61.21 2aj4 h SER 171 Cb 0.60 0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 2aj4 h SER 171 CO 0.04 -0.15 -0.92 0.00 -0.87 0.00 0.00 176.83 174.93 2aj4 h ALA 172 N 1.18 0.44 -0.99 5.18 0.00 -1.83 -1.84 119.26 121.40 2aj4 h ALA 172 Ca 0.15 -0.73 0.08 0.00 0.00 0.00 0.00 54.91 54.41 2aj4 h ALA 172 Cb 0.29 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 2aj4 h ALA 172 CO -0.33 0.88 0.64 0.00 0.00 0.00 0.00 179.25 180.44 2aj4 h ALA 173 N 0.86 1.44 0.10 0.00 0.00 -1.11 0.51 119.26 121.07 2aj4 h ALA 173 Ca -0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2aj4 h ALA 173 Cb 1.56 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2aj4 h ALA 173 CO 0.15 0.39 -0.05 0.35 0.00 0.00 0.00 179.25 180.09 2aj4 h PHE 174 N 1.12 -0.12 -0.24 0.00 3.57 -1.09 -2.06 116.94 118.12 2aj4 h PHE 174 Ca 0.44 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.94 2aj4 h PHE 174 Cb 0.23 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 2aj4 h PHE 174 CO -0.00 0.29 0.15 0.82 -2.23 0.00 0.00 178.31 177.34 2aj4 h ILE 175 N -0.58 1.08 -0.62 1.41 2.04 -1.14 -2.33 117.51 117.36 2aj4 h ILE 175 Ca -0.01 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 2aj4 h ILE 175 Cb 0.47 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 2aj4 h ILE 175 CO 0.02 0.08 0.32 0.00 0.00 0.00 0.00 178.15 178.57 2aj4 h ALA 177 N 1.15 1.34 -0.33 0.00 0.00 -1.24 -1.65 119.26 118.53 2aj4 h ALA 177 Ca 0.22 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2aj4 h ALA 177 Cb 0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2aj4 h ALA 177 CO -0.03 0.60 -0.03 0.28 0.00 0.00 0.00 179.25 180.08 2aj4 h VAL 178 N 1.26 1.27 -0.58 0.00 2.07 -1.03 0.18 116.25 119.42 2aj4 h VAL 178 Ca 0.35 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 2aj4 h VAL 178 Cb -0.12 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2aj4 h VAL 178 CO -0.08 0.33 0.23 0.00 0.02 0.00 0.00 177.57 178.07 2aj4 h ALA 179 N 0.83 0.75 0.66 1.67 0.00 -0.88 0.21 119.26 122.51 2aj4 h ALA 179 Ca 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2aj4 h ALA 179 Cb 0.49 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2aj4 h ALA 179 CO 0.02 0.37 -0.32 1.25 0.00 0.00 0.00 179.25 180.57 2aj4 h LEU 180 N 0.80 -0.76 -0.60 0.00 5.85 -1.18 -2.14 115.31 117.29 2aj4 h LEU 180 Ca 0.19 0.03 0.10 0.00 0.84 0.00 0.00 57.88 59.04 2aj4 h LEU 180 Cb 0.20 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.35 2aj4 h LEU 180 CO -0.02 -0.54 0.18 0.00 -0.34 0.00 0.00 178.44 177.72 2aj4 h ALA 181 N -0.54 0.74 -0.95 1.25 0.00 -0.72 -1.79 119.26 117.25 2aj4 h ALA 181 Ca -0.09 0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2aj4 h ALA 181 Cb 0.68 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 2aj4 h ALA 181 CO 0.15 -0.25 0.63 0.28 0.00 0.00 0.00 179.25 180.05 2aj4 h VAL 182 N 0.33 1.22 -0.26 0.00 2.07 -0.39 0.12 116.25 119.35 2aj4 h VAL 182 Ca 0.31 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 2aj4 h VAL 182 Cb 0.42 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2aj4 h VAL 182 CO -0.35 0.23 -0.09 0.58 0.02 0.00 0.00 177.57 177.96 2aj4 h VAL 183 N 1.26 1.29 -0.16 2.57 2.07 -0.74 -2.69 116.25 119.85 2aj4 h VAL 183 Ca 0.36 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2aj4 h VAL 183 Cb -0.10 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2aj4 h VAL 183 CO -0.09 0.36 0.10 0.50 0.02 0.00 0.00 177.57 178.47 2aj4 h LYS 184 N 0.25 0.22 -0.95 1.57 1.63 -1.18 0.40 116.57 118.51 2aj4 h LYS 184 Ca 0.06 -0.02 0.13 0.00 -0.85 0.00 0.00 60.65 59.98 2aj4 h LYS 184 Cb 0.58 -0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 32.09 2aj4 h LYS 184 CO 0.03 0.16 0.60 0.00 -3.45 0.00 0.00 179.45 176.79 2aj4 h ALA 185 N 1.04 1.66 0.01 5.00 0.00 -0.93 0.79 119.26 126.84 2aj4 h ALA 185 Ca 0.06 0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.71 2aj4 h ALA 185 Cb -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2aj4 h ALA 185 CO -0.01 0.09 -1.59 -0.91 0.00 0.00 0.00 179.25 176.83 2aj4 h ASN 186 N 0.86 0.05 1.35 0.00 2.35 -1.09 -3.35 115.58 115.75 2aj4 h ASN 186 Ca 0.47 -0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 56.03 2aj4 h ASN 186 Cb 0.59 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 2aj4 h ASN 186 CO -0.24 1.07 -0.67 0.24 -1.65 0.00 0.00 177.43 176.19 2aj4 h MET 187 N 0.01 0.00 0.00 0.81 2.86 -0.03 -3.50 114.93 115.08 2aj4 h MET 187 Ca -0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2aj4 h MET 187 Cb 1.97 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.63 2aj4 h MET 187 CO 0.09 0.38 0.00 0.41 1.06 0.00 0.00 176.91 178.86 2aj4 n GLY 188 N 1.25 -0.30 0.34 8.32 0.00 0.25 -4.41 105.19 110.64 2aj4 n GLY 188 Ca -0.00 -1.73 0.07 0.00 0.00 0.00 0.00 46.02 44.35 2aj4 n GLY 188 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2aj4 h PRO 189 N 0.00 0.61 0.00 1.61 0.14 -1.94 -1.32 132.00 131.11 2aj4 h PRO 189 Ca 0.00 -0.04 0.00 0.00 0.14 0.00 0.00 66.00 66.10 2aj4 h PRO 189 Cb 0.00 -0.14 0.00 0.00 0.14 0.00 0.00 31.00 31.00 2aj4 h PRO 189 CO 0.00 0.41 0.00 0.41 0.14 0.00 0.00 178.00 178.96 2aj4 n GLY 190 N -1.47 -1.02 3.76 1.56 0.00 -1.26 -4.78 105.19 101.98 2aj4 n GLY 190 Ca 0.09 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 2aj4 n GLY 190 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2aj4 s TYR 191 N -2.30 3.58 -0.17 1.61 5.04 -0.50 -5.07 117.35 119.54 2aj4 s TYR 191 Ca 0.33 0.92 0.01 0.00 -2.44 0.00 0.00 57.07 55.88 2aj4 s TYR 191 Cb 0.18 -2.47 0.03 0.00 0.35 0.00 0.00 41.96 40.06 2aj4 s TYR 191 CO 0.36 0.32 -0.13 -1.01 -1.34 0.00 0.00 175.55 173.75 2aj4 s HIS 192 N 0.08 2.27 0.43 4.97 3.76 -1.26 -4.92 115.29 120.61 2aj4 s HIS 192 Ca 0.25 -1.35 -0.24 0.00 -0.15 0.00 0.00 55.06 53.57 2aj4 s HIS 192 Cb -0.16 -1.62 -0.08 0.00 1.11 0.00 0.00 32.58 31.84 2aj4 s HIS 192 CO 0.11 -0.70 1.14 -1.64 -0.85 0.00 0.00 174.74 172.80 2aj4 s MET 193 N 1.45 3.93 -0.06 1.40 -1.94 -1.26 -4.92 119.30 117.91 2aj4 s MET 193 Ca 0.03 1.74 -0.11 0.00 -1.71 0.00 0.00 55.69 55.63 2aj4 s MET 193 Cb -0.14 -2.52 -0.05 0.00 2.01 0.00 0.00 34.83 34.13 2aj4 s MET 193 CO -0.10 -0.39 0.28 -1.54 -0.01 0.00 0.00 175.02 173.26 2aj4 s SER 194 N -1.33 6.61 0.34 3.03 1.04 -1.26 -0.05 113.70 122.08 2aj4 s SER 194 Ca 0.60 0.73 0.09 0.00 0.48 0.00 0.00 55.95 57.86 2aj4 s SER 194 Cb -0.28 -2.17 0.84 0.00 0.10 0.00 0.00 66.02 64.51 2aj4 s SER 194 CO 0.34 0.36 1.81 0.11 0.98 0.00 0.00 173.24 176.84 2aj4 h LYS 195 N 4.88 0.65 -0.44 4.02 1.57 -1.71 -2.26 116.57 123.28 2aj4 h LYS 195 Ca -0.53 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 2aj4 h LYS 195 Cb 1.22 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 2aj4 h LYS 195 CO 0.60 0.43 0.29 0.37 -0.57 0.00 0.00 179.45 180.57 2aj4 h GLN 196 N 0.67 0.58 -0.53 3.15 5.75 -1.93 0.48 115.11 123.28 2aj4 h GLN 196 Ca 0.53 -0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 58.88 2aj4 h GLN 196 Cb 0.94 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.35 2aj4 h GLN 196 CO -0.29 0.39 -0.12 -0.91 -2.65 0.00 0.00 178.83 175.24 2aj4 h ASN 197 N 0.60 1.02 0.33 -0.69 2.35 -1.82 0.33 115.58 117.69 2aj4 h ASN 197 Ca 0.16 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2aj4 h ASN 197 Cb -0.07 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.00 2aj4 h ASN 197 CO -0.03 1.14 -0.38 0.25 -1.65 0.00 0.00 177.43 176.76 2aj4 h LEU 198 N 0.88 -1.04 0.38 1.61 5.85 -1.11 0.52 115.31 122.41 2aj4 h LEU 198 Ca 0.13 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 2aj4 h LEU 198 Cb 0.69 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 2aj4 h LEU 198 CO 0.05 -0.51 -0.35 -0.03 -0.34 0.00 0.00 178.44 177.27 2aj4 h MET 199 N -0.74 -0.71 -0.61 1.25 4.05 -0.80 -1.02 114.93 116.35 2aj4 h MET 199 Ca -0.02 0.05 0.14 0.00 -0.28 0.00 0.00 59.70 59.59 2aj4 h MET 199 Cb 0.68 0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 31.61 2aj4 h MET 199 CO -0.10 -0.48 0.42 0.07 0.23 0.00 0.00 176.91 177.06 2aj4 h ARG 200 N -0.74 0.22 0.00 0.39 0.11 -0.06 -0.82 114.38 113.47 2aj4 h ARG 200 Ca -0.03 -0.01 -0.16 0.00 0.10 0.00 0.00 59.98 59.88 2aj4 h ARG 200 Cb 0.66 -0.05 -0.03 0.00 1.11 0.00 0.00 29.97 31.66 2aj4 h ARG 200 CO -0.04 0.14 -1.21 -0.84 0.10 0.00 0.00 179.97 178.12 2aj4 h ILE 201 N 0.22 0.63 0.00 0.08 3.07 -0.39 -3.35 117.51 117.77 2aj4 h ILE 201 Ca 0.29 -2.11 -0.08 0.00 1.55 0.00 0.00 64.86 64.52 2aj4 h ILE 201 Cb 0.85 2.16 -0.01 0.00 -0.27 0.00 0.00 36.82 39.54 2aj4 h ILE 201 CO -0.06 0.36 -0.70 0.71 -1.05 0.00 0.00 178.15 177.41 2aj4 h THR 202 N 0.00 0.42 0.00 0.16 1.35 -0.02 -3.36 112.91 111.47 2aj4 h THR 202 Ca -0.13 -1.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.07 2aj4 h THR 202 Cb 1.56 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 70.04 2aj4 h THR 202 CO 0.05 0.24 0.20 1.33 -0.25 0.00 0.00 175.52 177.10 2aj4 n VAL 203 N -3.01 0.91 -0.00 6.82 0.24 -0.43 -1.92 118.33 120.93 2aj4 n VAL 203 Ca -0.01 0.68 0.00 0.00 -2.04 0.00 0.00 64.34 62.97 2aj4 n VAL 203 Cb 0.68 -1.68 0.00 0.00 -1.47 0.00 0.00 33.84 31.37 2aj4 n VAL 203 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2aj4 n VAL 204 N -1.91 0.00 -0.33 3.34 0.24 -1.26 -4.12 118.33 114.29 2aj4 n VAL 204 Ca -0.01 -0.50 0.22 0.00 -2.04 0.00 0.00 64.34 62.02 2aj4 n VAL 204 Cb 0.22 1.00 0.44 0.00 -1.47 0.00 0.00 33.84 34.04 2aj4 n VAL 204 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2aj4 h ALA 205 N 0.00 1.85 0.00 2.33 0.00 -1.58 0.71 119.26 122.57 2aj4 h ALA 205 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2aj4 h ALA 205 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2aj4 h ALA 205 CO 0.00 -0.55 0.00 0.93 0.00 0.00 0.00 179.25 179.63 2aj4 h GLU 206 N 0.32 0.00 -0.43 0.00 5.08 -1.85 -2.04 114.58 115.66 2aj4 h GLU 206 Ca 0.71 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.07 2aj4 h GLU 206 Cb 1.58 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.81 2aj4 h GLU 206 CO -0.61 0.00 0.27 0.45 -1.00 0.00 0.00 179.01 178.12 2aj4 h HIS 207 N 0.00 0.55 -0.13 4.33 3.86 -0.75 0.14 115.15 123.16 2aj4 h HIS 207 Ca 0.00 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.26 2aj4 h HIS 207 Cb 0.51 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 2aj4 h HIS 207 CO 0.00 0.36 0.13 1.88 0.86 0.00 0.00 177.93 181.16 2aj4 h TYR 208 N 0.59 0.00 -0.68 2.45 -1.99 -1.48 0.62 116.97 116.47 2aj4 h TYR 208 Ca 0.16 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.89 2aj4 h TYR 208 Cb -0.04 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.69 2aj4 h TYR 208 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 178.16 179.71 2aj4 n VAL 209 N -3.95 0.91 -0.37 -2.88 3.14 -0.03 -4.74 118.33 110.40 2aj4 n VAL 209 Ca 0.00 -0.93 0.00 0.00 -2.96 0.00 0.00 64.34 60.45 2aj4 n VAL 209 Cb 0.24 0.52 0.00 0.00 -1.06 0.00 0.00 33.84 33.54 2aj4 n VAL 209 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2aj4 n GLY 210 N 1.62 0.81 3.25 7.55 0.00 0.21 -4.82 105.19 113.80 2aj4 n GLY 210 Ca 0.23 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2aj4 n GLY 210 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aj4 s VAL 211 N -2.00 3.13 -1.47 1.61 1.01 -0.77 -4.99 120.40 116.92 2aj4 s VAL 211 Ca 0.00 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 2aj4 s VAL 211 Cb 0.00 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.88 2aj4 s VAL 211 CO 0.00 0.27 2.55 0.59 0.00 0.00 0.00 175.10 178.51 2aj4 n ASN 212 N 4.73 7.48 -4.85 3.32 3.02 -1.26 -2.99 115.26 124.71 2aj4 n ASN 212 Ca -0.17 -2.86 -0.22 0.00 -0.03 0.00 0.00 54.58 51.31 2aj4 n ASN 212 Cb 0.48 -1.50 0.07 0.00 -0.61 0.00 0.00 39.78 38.23 2aj4 n ASN 212 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2aj4 s ASN 213 N 1.56 4.82 0.76 6.41 4.22 -1.26 -4.97 114.94 126.48 2aj4 s ASN 213 Ca 0.58 -0.37 -0.04 0.00 -2.14 0.00 0.00 52.86 50.89 2aj4 s ASN 213 Cb 0.17 -0.22 0.10 0.00 1.28 0.00 0.00 41.25 42.58 2aj4 s ASN 213 CO -0.07 -1.50 0.66 0.61 -2.04 0.00 0.00 177.10 174.76 2aj4 n GLY 214 N -2.52 -0.16 1.41 0.45 0.00 -1.26 -4.88 105.19 98.22 2aj4 n GLY 214 Ca 0.13 -1.87 0.10 0.00 0.00 0.00 0.00 46.02 44.38 2aj4 n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aj4 n GLY 215 N 0.32 2.43 0.37 -0.02 0.00 -1.26 -4.59 105.19 102.45 2aj4 n GLY 215 Ca 0.10 -0.79 -0.01 0.00 0.00 0.00 0.00 46.02 45.32 2aj4 n GLY 215 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2aj4 n MET 216 N 1.37 -0.23 -0.01 1.61 0.00 -1.26 -0.72 117.12 117.88 2aj4 n MET 216 Ca 0.24 1.50 -0.09 0.00 -0.00 0.00 0.00 57.70 59.35 2aj4 n MET 216 Cb 0.71 -2.22 -0.03 0.00 0.00 0.00 0.00 33.22 31.68 2aj4 n MET 216 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 2aj4 h ASP 217 N 0.00 -0.52 -0.40 6.12 5.19 -1.98 -0.58 116.42 124.25 2aj4 h ASP 217 Ca 0.34 0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 56.80 2aj4 h ASP 217 Cb 0.58 0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.32 2aj4 h ASP 217 CO -0.96 -0.21 0.09 1.56 -3.12 0.00 0.00 179.24 176.59 2aj4 h GLN 218 N -0.20 0.65 -0.48 3.56 7.50 -1.45 -2.07 115.11 122.62 2aj4 h GLN 218 Ca 0.10 -0.16 0.06 0.00 0.50 0.00 0.00 58.65 59.15 2aj4 h GLN 218 Cb 0.35 -0.08 -0.05 0.00 0.05 0.00 0.00 27.48 27.75 2aj4 h GLN 218 CO -0.27 0.68 0.20 0.00 -1.50 0.00 0.00 178.83 177.94 2aj4 h ALA 219 N 0.94 0.59 -0.22 3.87 0.00 -0.62 -1.12 119.26 122.71 2aj4 h ALA 219 Ca 0.12 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2aj4 h ALA 219 Cb 0.33 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2aj4 h ALA 219 CO 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 179.25 179.01 2aj4 h ALA 220 N 1.30 0.30 -1.00 0.00 0.00 -0.92 0.19 119.26 119.12 2aj4 h ALA 220 Ca 0.22 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.98 2aj4 h ALA 220 Cb 0.20 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 2aj4 h ALA 220 CO -0.20 0.10 0.64 1.03 0.00 0.00 0.00 179.25 180.81 2aj4 h SER 221 N 0.15 0.95 0.00 0.00 0.87 -1.14 -0.30 113.55 114.09 2aj4 h SER 221 Ca 0.05 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.58 2aj4 h SER 221 Cb 0.52 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2aj4 h SER 221 CO 0.02 0.53 -0.30 0.58 -0.53 0.00 0.00 176.83 177.13 2aj4 h VAL 222 N 1.03 1.54 -0.01 2.23 2.07 -1.12 0.28 116.25 122.28 2aj4 h VAL 222 Ca 0.48 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 66.01 2aj4 h VAL 222 Cb 0.42 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2aj4 h VAL 222 CO -0.25 0.55 -0.12 0.00 0.02 0.00 0.00 177.57 177.77 2aj4 n GLY 224 N 1.26 -0.64 2.80 0.00 0.00 -0.14 -4.73 105.19 103.73 2aj4 n GLY 224 Ca 0.16 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 2aj4 n GLY 224 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2aj4 s GLU 225 N -2.25 -0.02 0.00 1.61 2.02 -0.79 -0.20 118.70 119.07 2aj4 s GLU 225 Ca 0.69 0.19 -0.37 0.00 0.02 0.00 0.00 54.97 55.49 2aj4 s GLU 225 Cb -0.49 -0.21 -0.16 0.00 0.10 0.00 0.00 34.13 33.37 2aj4 s GLU 225 CO 0.53 -0.15 1.44 -1.91 0.02 0.00 0.00 175.26 175.19 2aj4 n GLU 226 N 4.05 1.17 -1.29 1.61 2.13 -1.16 -0.51 120.64 126.64 2aj4 n GLU 226 Ca -0.26 0.42 -0.10 0.00 0.66 0.00 0.00 57.16 57.89 2aj4 n GLU 226 Cb 0.51 -2.08 -0.04 0.00 0.27 0.00 0.00 31.44 30.10 2aj4 n GLU 226 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2aj4 n ASP 227 N 3.23 -4.34 -4.17 4.31 8.00 -0.56 -4.94 116.55 118.07 2aj4 n ASP 227 Ca 0.20 0.24 -0.20 0.00 0.71 0.00 0.00 54.79 55.74 2aj4 n ASP 227 Cb 0.18 -2.71 -0.13 0.00 -0.02 0.00 0.00 41.12 38.44 2aj4 n ASP 227 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2aj4 s HIS 228 N -2.31 1.33 0.32 1.24 3.76 0.33 -4.63 115.29 115.32 2aj4 s HIS 228 Ca 0.00 -0.39 0.07 0.00 -0.15 0.00 0.00 55.06 54.59 2aj4 s HIS 228 Cb 0.00 -0.77 -0.02 0.00 1.11 0.00 0.00 32.58 32.89 2aj4 s HIS 228 CO 0.00 0.06 0.33 0.00 -0.85 0.00 0.00 174.74 174.29 2aj4 s ALA 229 N -0.99 3.93 0.10 -1.40 0.00 0.57 -4.49 121.76 119.47 2aj4 s ALA 229 Ca 0.02 -1.53 0.07 0.00 0.00 0.00 0.00 51.96 50.52 2aj4 s ALA 229 Cb -0.09 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 2aj4 s ALA 229 CO 0.02 0.05 -0.18 -0.51 0.00 0.00 0.00 175.76 175.13 2aj4 s LEU 230 N -4.02 2.31 -0.34 0.00 1.43 -0.84 -0.44 118.68 116.77 2aj4 s LEU 230 Ca 0.40 -0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 2aj4 s LEU 230 Cb -0.07 -0.76 0.08 0.00 0.03 0.00 0.00 46.19 45.47 2aj4 s LEU 230 CO 0.28 0.00 0.07 -0.47 0.23 0.00 0.00 176.35 176.46 2aj4 s TYR 231 N -1.30 3.47 -0.12 0.29 5.04 0.08 -3.40 117.35 121.42 2aj4 s TYR 231 Ca 0.05 -2.32 -0.10 0.00 -2.44 0.00 0.00 57.07 52.25 2aj4 s TYR 231 Cb -0.09 -2.63 -0.05 0.00 0.35 0.00 0.00 41.96 39.54 2aj4 s TYR 231 CO 0.04 -0.90 0.22 0.08 -1.34 0.00 0.00 175.55 173.65 2aj4 s VAL 232 N 1.13 5.36 0.07 3.14 1.01 -0.85 -0.30 120.40 129.96 2aj4 s VAL 232 Ca 0.02 0.39 0.07 0.00 0.00 0.00 0.00 61.98 62.46 2aj4 s VAL 232 Cb -0.21 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2aj4 s VAL 232 CO -0.04 0.53 -0.20 -1.61 0.00 0.00 0.00 175.10 173.78 2aj4 s GLU 233 N -0.45 1.19 -0.04 2.72 2.02 0.28 -1.59 118.70 122.83 2aj4 s GLU 233 Ca 0.15 -1.02 0.06 0.00 0.02 0.00 0.00 54.97 54.19 2aj4 s GLU 233 Cb -0.13 -1.36 -0.10 0.00 0.10 0.00 0.00 34.13 32.65 2aj4 s GLU 233 CO 0.04 0.33 0.09 1.19 0.02 0.00 0.00 175.26 176.94 2aj4 n PHE 234 N 1.48 0.00 -3.94 1.61 3.01 -1.26 -0.03 117.46 118.34 2aj4 n PHE 234 Ca -0.19 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.18 2aj4 n PHE 234 Cb 0.54 -0.24 -0.10 0.00 -0.01 0.00 0.00 39.48 39.67 2aj4 n PHE 234 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2aj4 s LYS 235 N -2.33 0.48 0.25 -1.08 1.02 -1.26 -3.30 119.74 113.53 2aj4 s LYS 235 Ca -0.03 -0.65 0.23 0.00 0.02 0.00 0.00 55.97 55.54 2aj4 s LYS 235 Cb 0.03 0.19 0.98 0.00 -0.52 0.00 0.00 37.83 38.51 2aj4 s LYS 235 CO 0.28 -0.11 1.70 -2.30 -0.92 0.00 0.00 175.35 174.00 2aj4 n PRO 236 N 1.15 0.19 -3.92 -1.68 -0.02 -1.26 -4.83 135.00 124.62 2aj4 n PRO 236 Ca -0.21 0.43 -0.12 0.00 -2.02 0.00 0.00 63.50 61.58 2aj4 n PRO 236 Cb 0.57 -1.87 -0.13 0.00 -0.02 0.00 0.00 33.50 32.05 2aj4 n PRO 236 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2aj4 s GLN 237 N -3.32 0.11 -0.05 -0.52 -0.21 -1.25 -5.12 119.66 109.30 2aj4 s GLN 237 Ca 0.04 -0.18 -0.30 0.00 0.02 0.00 0.00 55.36 54.95 2aj4 s GLN 237 Cb 0.09 -0.01 -0.06 0.00 1.00 0.00 0.00 33.01 34.04 2aj4 s GLN 237 CO 0.38 -0.00 1.67 -1.17 -2.12 0.00 0.00 175.29 174.05 2aj4 s LEU 238 N -0.39 4.32 -0.12 2.90 2.96 -1.21 -4.00 118.68 123.13 2aj4 s LEU 238 Ca -0.04 2.25 -0.27 0.00 -0.22 0.00 0.00 54.13 55.84 2aj4 s LEU 238 Cb -0.03 -3.53 0.07 0.00 0.50 0.00 0.00 46.19 43.20 2aj4 s LEU 238 CO -0.00 -0.94 0.66 -0.75 -1.32 0.00 0.00 176.35 174.00 2aj4 s LYS 239 N 4.08 0.94 -0.10 1.98 2.20 0.96 -4.98 119.74 124.83 2aj4 s LYS 239 Ca 0.74 0.49 0.03 0.00 -0.36 0.00 0.00 55.97 56.87 2aj4 s LYS 239 Cb -0.34 0.45 0.01 0.00 -1.51 0.00 0.00 37.83 36.44 2aj4 s LYS 239 CO 0.30 -0.24 -0.19 0.00 -0.36 0.00 0.00 175.35 174.86 2aj4 s ALA 240 N -0.62 1.89 -0.17 3.13 0.00 -1.26 0.99 121.76 125.72 2aj4 s ALA 240 Ca -0.07 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2aj4 s ALA 240 Cb -0.02 -0.80 0.04 0.00 0.00 0.00 0.00 23.12 22.34 2aj4 s ALA 240 CO 0.06 0.12 -0.10 0.99 0.00 0.00 0.00 175.76 176.84 2aj4 s THR 241 N 0.63 1.41 0.55 0.00 2.01 0.59 -4.89 115.64 115.93 2aj4 s THR 241 Ca -0.13 -0.73 -0.16 0.00 0.31 0.00 0.00 61.69 60.98 2aj4 s THR 241 Cb -0.16 -1.46 -0.06 0.00 0.01 0.00 0.00 72.50 70.82 2aj4 s THR 241 CO 0.04 0.25 1.01 -2.16 -0.69 0.00 0.00 174.62 173.07 2aj4 s PRO 242 N 1.52 3.74 0.17 4.92 0.05 -1.26 -0.74 135.00 143.40 2aj4 s PRO 242 Ca 0.02 1.01 -0.18 0.00 0.05 0.00 0.00 61.00 61.89 2aj4 s PRO 242 Cb -0.15 -2.10 0.04 0.00 0.05 0.00 0.00 34.50 32.34 2aj4 s PRO 242 CO -0.09 -0.45 0.50 -0.59 0.05 0.00 0.00 177.00 176.42 2aj4 s PHE 243 N -2.63 -0.20 0.13 0.56 -0.12 0.41 -4.92 117.98 111.21 2aj4 s PHE 243 Ca 0.60 -0.11 0.03 0.00 -0.05 0.00 0.00 56.93 57.39 2aj4 s PHE 243 Cb -0.12 0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 42.61 2aj4 s PHE 243 CO 0.35 -0.84 0.20 0.15 -0.05 0.00 0.00 175.22 175.03 2aj4 s LYS 244 N -3.84 3.20 0.98 1.99 1.02 -1.26 -0.32 119.74 121.52 2aj4 s LYS 244 Ca 0.06 -0.66 -0.12 0.00 0.02 0.00 0.00 55.97 55.27 2aj4 s LYS 244 Cb -0.00 -2.85 0.18 0.00 -0.52 0.00 0.00 37.83 34.63 2aj4 s LYS 244 CO -0.07 0.53 1.08 -0.06 -0.92 0.00 0.00 175.35 175.92 2aj4 s PHE 245 N -1.66 2.03 0.74 3.18 0.40 -1.26 -4.95 117.98 116.47 2aj4 s PHE 245 Ca 0.33 1.18 -0.11 0.00 -0.60 0.00 0.00 56.93 57.74 2aj4 s PHE 245 Cb -0.11 -3.19 0.04 0.00 0.51 0.00 0.00 43.02 40.26 2aj4 s PHE 245 CO 0.26 -2.85 1.08 -2.14 0.70 0.00 0.00 175.22 172.27 2aj4 s PRO 246 N -4.85 2.49 -0.24 0.24 0.02 -1.26 -4.99 135.00 126.42 2aj4 s PRO 246 Ca 0.65 1.11 -0.14 0.00 0.02 0.00 0.00 61.00 62.65 2aj4 s PRO 246 Cb -0.20 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 2aj4 s PRO 246 CO 0.59 -1.45 0.30 -0.65 -0.33 0.00 0.00 177.00 175.45 2aj4 s GLN 247 N -4.91 4.07 0.58 5.54 -1.52 -1.26 -4.90 119.66 117.27 2aj4 s GLN 247 Ca 0.60 -0.03 0.05 0.00 -1.95 0.00 0.00 55.36 54.03 2aj4 s GLN 247 Cb -0.16 -3.59 0.07 0.00 -0.22 0.00 0.00 33.01 29.11 2aj4 s GLN 247 CO 0.55 -0.10 0.80 -0.51 -0.25 0.00 0.00 175.29 175.78 2aj4 s LEU 248 N 1.51 3.22 -0.19 2.90 1.43 -1.26 -5.04 118.68 121.24 2aj4 s LEU 248 Ca 0.13 -0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 52.62 2aj4 s LEU 248 Cb -0.15 -2.18 -0.21 0.00 0.03 0.00 0.00 46.19 43.68 2aj4 s LEU 248 CO 0.08 -1.33 0.19 0.29 0.23 0.00 0.00 176.35 175.81 2aj4 n LYS 249 N -2.34 0.64 -0.06 1.70 5.02 -1.26 -4.57 118.16 117.29 2aj4 n LYS 249 Ca 0.12 0.42 0.05 0.00 -2.02 0.00 0.00 58.31 56.88 2aj4 n LYS 249 Cb 0.60 -1.70 0.07 0.00 -0.02 0.00 0.00 35.03 33.99 2aj4 n LYS 249 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2aj4 n ASN 250 N -4.05 2.17 -4.13 4.39 3.02 -1.26 -5.04 115.26 110.36 2aj4 n ASN 250 Ca -0.35 -1.63 -0.11 0.00 -0.03 0.00 0.00 54.58 52.46 2aj4 n ASN 250 Cb 0.84 -0.08 -0.08 0.00 -0.61 0.00 0.00 39.78 39.85 2aj4 n ASN 250 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2aj4 s HIS 251 N -0.86 0.88 -0.11 3.10 3.76 -1.26 -4.66 115.29 116.13 2aj4 s HIS 251 Ca 0.14 -1.16 -0.00 0.00 -0.15 0.00 0.00 55.06 53.90 2aj4 s HIS 251 Cb 0.09 -0.31 -0.02 0.00 1.11 0.00 0.00 32.58 33.44 2aj4 s HIS 251 CO 0.12 -0.74 -0.11 -1.21 -0.85 0.00 0.00 174.74 171.95 2aj4 s GLU 252 N -4.11 3.21 -0.37 1.40 2.02 -1.13 -4.20 118.70 115.53 2aj4 s GLU 252 Ca 0.33 -0.64 -0.28 0.00 0.02 0.00 0.00 54.97 54.40 2aj4 s GLU 252 Cb 0.05 -2.64 0.02 0.00 0.10 0.00 0.00 34.13 31.66 2aj4 s GLU 252 CO 0.10 0.35 1.04 0.42 0.02 0.00 0.00 175.26 177.20 2aj4 s ILE 253 N 0.01 4.47 0.08 -1.63 1.01 -1.26 0.44 121.20 124.32 2aj4 s ILE 253 Ca -0.03 1.48 0.07 0.00 0.00 0.00 0.00 60.65 62.17 2aj4 s ILE 253 Cb -0.14 -4.43 -0.03 0.00 0.01 0.00 0.00 42.46 37.87 2aj4 s ILE 253 CO 0.04 -0.60 -0.18 -0.44 0.00 0.00 0.00 174.94 173.75 2aj4 s SER 254 N 1.88 2.21 -0.15 3.58 0.01 -0.64 -4.84 113.70 115.76 2aj4 s SER 254 Ca 0.44 -0.62 0.01 0.00 1.31 0.00 0.00 55.95 57.09 2aj4 s SER 254 Cb -0.11 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.02 2aj4 s SER 254 CO 0.20 0.03 -0.18 -0.36 0.41 0.00 0.00 173.24 173.34 2aj4 s PHE 255 N -1.11 2.43 -0.13 2.43 0.40 -1.26 -1.01 117.98 119.74 2aj4 s PHE 255 Ca 0.04 -1.33 -0.02 0.00 -0.60 0.00 0.00 56.93 55.01 2aj4 s PHE 255 Cb -0.10 -1.72 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 2aj4 s PHE 255 CO 0.03 -0.67 -0.04 0.08 0.70 0.00 0.00 175.22 175.32 2aj4 s VAL 256 N 1.20 3.91 -0.12 -0.44 1.01 -0.13 -1.25 120.40 124.59 2aj4 s VAL 256 Ca 0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 2aj4 s VAL 256 Cb -0.14 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 2aj4 s VAL 256 CO -0.08 0.53 0.01 -0.63 0.00 0.00 0.00 175.10 174.93 2aj4 s ILE 257 N -0.07 4.33 -0.19 2.22 1.01 0.18 -0.83 121.20 127.85 2aj4 s ILE 257 Ca 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.43 2aj4 s ILE 257 Cb -0.13 -2.86 0.05 0.00 0.01 0.00 0.00 42.46 39.53 2aj4 s ILE 257 CO 0.03 0.56 -0.01 0.00 0.00 0.00 0.00 174.94 175.51 2aj4 s ALA 258 N -0.39 1.36 0.18 9.38 0.00 -0.28 -0.32 121.76 131.68 2aj4 s ALA 258 Ca 0.08 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 2aj4 s ALA 258 Cb -0.12 -1.22 -0.08 0.00 0.00 0.00 0.00 23.12 21.70 2aj4 s ALA 258 CO 0.02 -1.07 1.12 1.21 0.00 0.00 0.00 175.76 177.05 2aj4 s ASN 259 N 1.69 7.22 0.42 0.00 3.84 0.80 -1.71 114.94 127.20 2aj4 s ASN 259 Ca -0.02 2.12 0.23 0.00 0.21 0.00 0.00 52.86 55.40 2aj4 s ASN 259 Cb -0.17 -2.60 0.45 0.00 -0.55 0.00 0.00 41.25 38.37 2aj4 s ASN 259 CO -0.07 -0.26 1.64 0.71 -2.79 0.00 0.00 177.10 176.32 2aj4 h THR 260 N 3.75 0.23 -0.07 -5.21 1.35 -1.46 -3.47 112.91 108.03 2aj4 h THR 260 Ca -0.44 -1.21 -0.03 0.00 -0.55 0.00 0.00 66.41 64.17 2aj4 h THR 260 Cb 1.21 2.02 -0.01 0.00 -1.73 0.00 0.00 68.15 69.64 2aj4 h THR 260 CO 0.73 0.12 -0.03 0.18 -0.25 0.00 0.00 175.52 176.28 2aj4 n LEU 261 N -3.15 0.03 -4.46 3.87 4.77 -1.26 -4.98 117.00 111.81 2aj4 n LEU 261 Ca 0.03 0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.62 2aj4 n LEU 261 Cb 0.54 -0.93 -0.10 0.00 -2.33 0.00 0.00 43.42 40.60 2aj4 n LEU 261 CO 0.35 -0.21 -0.08 -0.69 -1.33 0.00 0.00 177.39 175.43 2aj4 s VAL 262 N -1.92 5.22 0.01 4.08 1.01 -1.26 -5.00 120.40 122.54 2aj4 s VAL 262 Ca 0.00 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 2aj4 s VAL 262 Cb 0.00 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 2aj4 s VAL 262 CO 0.00 -0.27 1.68 -0.69 0.00 0.00 0.00 175.10 175.82 2aj4 s VAL 263 N 1.68 3.29 -0.28 2.92 1.01 -1.26 -0.42 120.40 127.34 2aj4 s VAL 263 Ca 0.05 0.55 -0.00 0.00 0.00 0.00 0.00 61.98 62.58 2aj4 s VAL 263 Cb -0.19 -3.36 0.08 0.00 0.00 0.00 0.00 36.38 32.92 2aj4 s VAL 263 CO 0.10 -0.03 0.05 -0.55 0.00 0.00 0.00 175.10 174.67 2aj4 s SER 264 N 2.98 3.87 -0.33 3.32 0.15 -0.10 -4.86 113.70 118.73 2aj4 s SER 264 Ca 0.75 -1.44 -0.09 0.00 0.70 0.00 0.00 55.95 55.87 2aj4 s SER 264 Cb -0.37 -0.97 0.02 0.00 -1.71 0.00 0.00 66.02 62.99 2aj4 s SER 264 CO 0.32 -0.35 0.14 0.21 1.20 0.00 0.00 173.24 174.76 2aj4 s ASN 265 N 1.53 5.44 0.53 5.45 3.84 -1.26 -4.30 114.94 126.17 2aj4 s ASN 265 Ca 0.04 -0.85 0.21 0.00 0.21 0.00 0.00 52.86 52.47 2aj4 s ASN 265 Cb -0.18 -1.95 1.34 0.00 -0.55 0.00 0.00 41.25 39.92 2aj4 s ASN 265 CO -0.16 -0.28 2.08 0.07 -2.79 0.00 0.00 177.10 176.02 2aj4 h LYS 266 N 8.32 0.00 0.03 0.43 2.10 -1.97 -2.91 116.57 122.56 2aj4 h LYS 266 Ca -0.28 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2aj4 h LYS 266 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2aj4 h LYS 266 CO 0.63 0.00 -0.02 0.35 -2.00 0.00 0.00 179.45 178.41 2aj4 h PHE 267 N 0.00 -0.04 -0.93 0.07 3.57 -1.98 -2.64 116.94 114.99 2aj4 h PHE 267 Ca 0.11 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.77 2aj4 h PHE 267 Cb 0.46 0.01 -0.10 0.00 2.79 0.00 0.00 35.95 39.12 2aj4 h PHE 267 CO 0.00 0.52 0.53 0.93 -2.23 0.00 0.00 178.31 178.06 2aj4 h GLU 268 N -0.63 0.72 -0.42 1.11 5.08 -1.95 -2.54 114.58 115.94 2aj4 h GLU 268 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2aj4 h GLU 268 Cb 0.58 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2aj4 h GLU 268 CO 0.01 0.48 0.00 0.25 -1.00 0.00 0.00 179.01 178.74 2aj4 n THR 269 N -4.79 1.58 -0.30 1.13 -2.24 -1.23 -4.80 114.28 103.63 2aj4 n THR 269 Ca 0.20 -1.29 0.12 0.00 -2.27 0.00 0.00 64.05 60.81 2aj4 n THR 269 Cb 0.47 0.20 0.28 0.00 -2.10 0.00 0.00 70.33 69.17 2aj4 n THR 269 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2aj4 h ALA 270 N 2.62 1.25 -0.05 6.98 0.00 -1.06 0.75 119.26 129.75 2aj4 h ALA 270 Ca 0.00 0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 2aj4 h ALA 270 Cb 1.13 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2aj4 h ALA 270 CO 0.12 -0.46 -0.26 -1.35 0.00 0.00 0.00 179.25 177.31 2aj4 h PRO 271 N 0.21 0.09 0.00 0.00 0.11 -1.84 0.75 132.00 131.31 2aj4 h PRO 271 Ca 0.54 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.63 2aj4 h PRO 271 Cb 1.09 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2aj4 h PRO 271 CO -0.65 0.34 -1.21 0.25 -0.21 0.00 0.00 178.00 176.53 2aj4 n THR 272 N -4.20 0.00 0.00 -1.15 -2.24 -0.99 -0.24 114.28 105.45 2aj4 n THR 272 Ca -0.02 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2aj4 n THR 272 Cb 0.33 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 2aj4 n THR 272 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2aj4 n ASN 273 N -1.70 0.00 -0.05 3.42 5.03 0.26 -4.64 115.26 117.58 2aj4 n ASN 273 Ca -0.01 0.00 -0.03 0.00 0.87 0.00 0.00 54.58 55.42 2aj4 n ASN 273 Cb 0.28 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.02 2aj4 n ASN 273 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 2aj4 h TYR 274 N 0.00 -0.39 0.00 3.10 3.20 -1.64 -1.17 116.97 120.07 2aj4 h TYR 274 Ca 0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 2aj4 h TYR 274 Cb 0.00 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 2aj4 h TYR 274 CO 0.00 -0.10 -0.08 -0.91 -1.64 0.00 0.00 178.16 175.43 2aj4 h ASN 275 N -0.07 0.00 -0.51 -2.11 2.35 0.21 -1.45 115.58 114.00 2aj4 h ASN 275 Ca 0.02 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 2aj4 h ASN 275 Cb 0.12 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 2aj4 h ASN 275 CO -0.15 0.08 -0.03 0.25 -1.65 0.00 0.00 177.43 175.92 2aj4 h LEU 276 N 0.00 0.94 -0.51 1.61 5.85 -0.75 -2.55 115.31 119.90 2aj4 h LEU 276 Ca -0.00 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 2aj4 h LEU 276 Cb 0.16 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2aj4 h LEU 276 CO 0.01 1.01 0.28 0.03 -0.34 0.00 0.00 178.44 179.43 2aj4 h ARG 277 N 0.88 0.71 -0.89 1.25 2.47 -0.46 0.75 114.38 119.09 2aj4 h ARG 277 Ca 0.16 -0.08 0.09 0.00 -1.26 0.00 0.00 59.98 58.88 2aj4 h ARG 277 Cb 0.55 -0.14 -0.06 0.00 -1.65 0.00 0.00 29.97 28.67 2aj4 h ARG 277 CO 0.03 0.55 0.58 0.28 0.56 0.00 0.00 179.97 181.97 2aj4 h VAL 278 N 0.68 0.99 -0.09 2.04 2.07 -1.36 -0.17 116.25 120.41 2aj4 h VAL 278 Ca 0.18 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 2aj4 h VAL 278 Cb 0.05 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 2aj4 h VAL 278 CO -0.03 0.17 -0.17 0.58 0.02 0.00 0.00 177.57 178.13 2aj4 h VAL 279 N 0.91 1.40 -0.59 2.57 2.07 -0.88 -2.43 116.25 119.30 2aj4 h VAL 279 Ca 0.41 -1.46 0.03 0.00 0.82 0.00 0.00 66.70 66.49 2aj4 h VAL 279 Cb 0.36 2.14 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 2aj4 h VAL 279 CO -0.17 0.42 0.35 -0.33 0.02 0.00 0.00 177.57 177.86 2aj4 h GLU 280 N -0.19 0.67 -0.47 1.57 5.08 -0.27 0.11 114.58 121.09 2aj4 h GLU 280 Ca 0.00 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2aj4 h GLU 280 Cb 0.76 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2aj4 h GLU 280 CO 0.04 0.44 0.10 -0.39 -1.00 0.00 0.00 179.01 178.20 2aj4 h VAL 281 N 0.69 1.21 -0.26 3.13 -1.51 -1.06 0.17 116.25 118.63 2aj4 h VAL 281 Ca 0.24 -0.76 -0.08 0.00 -1.23 0.00 0.00 66.70 64.88 2aj4 h VAL 281 Cb 0.05 0.75 -0.01 0.00 -2.13 0.00 0.00 31.29 29.95 2aj4 h VAL 281 CO -0.11 0.28 -0.13 0.74 -1.23 0.00 0.00 177.57 177.11 2aj4 h THR 282 N 0.68 1.30 -0.00 7.19 2.02 -0.98 -0.67 112.91 122.44 2aj4 h THR 282 Ca 0.15 -1.23 0.01 0.00 0.77 0.00 0.00 66.41 66.11 2aj4 h THR 282 Cb 0.28 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 2aj4 h THR 282 CO -0.00 0.38 -0.03 0.74 0.37 0.00 0.00 175.52 176.98 2aj4 h THR 283 N 0.27 0.91 -0.44 3.16 2.02 -0.42 -1.69 112.91 116.72 2aj4 h THR 283 Ca 0.06 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.31 2aj4 h THR 283 Cb 0.65 0.91 -0.06 0.00 -1.74 0.00 0.00 68.15 67.90 2aj4 h THR 283 CO 0.04 0.00 0.07 0.00 0.37 0.00 0.00 175.52 176.00 2aj4 h ALA 284 N 0.94 0.47 -0.97 6.16 0.00 -0.55 0.22 119.26 125.53 2aj4 h ALA 284 Ca 0.02 0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.20 2aj4 h ALA 284 Cb 0.08 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 2aj4 h ALA 284 CO -0.04 -0.33 0.61 0.00 0.00 0.00 0.00 179.25 179.49 2aj4 h ALA 285 N 1.35 1.80 0.00 0.00 0.00 -0.51 -1.22 119.26 120.69 2aj4 h ALA 285 Ca 0.22 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 2aj4 h ALA 285 Cb 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2aj4 h ALA 285 CO -0.31 -0.12 -0.82 -0.91 0.00 0.00 0.00 179.25 177.10 2aj4 h ASN 286 N 0.70 0.00 -0.17 0.00 2.35 -0.10 -2.88 115.58 115.48 2aj4 h ASN 286 Ca 0.53 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 56.16 2aj4 h ASN 286 Cb 0.89 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.26 2aj4 h ASN 286 CO -0.29 0.82 -0.36 0.58 -1.65 0.00 0.00 177.43 176.53 2aj4 h VAL 287 N 0.00 1.35 -0.72 2.81 2.07 -0.16 -2.37 116.25 119.23 2aj4 h VAL 287 Ca -0.01 -1.61 0.05 0.00 0.82 0.00 0.00 66.70 65.96 2aj4 h VAL 287 Cb 1.50 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 33.16 2aj4 h VAL 287 CO 0.11 0.49 0.43 -0.07 0.02 0.00 0.00 177.57 178.54 2aj4 h LEU 288 N 0.18 0.66 0.25 2.57 3.38 -1.33 0.93 115.31 121.95 2aj4 h LEU 288 Ca 0.00 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2aj4 h LEU 288 Cb 0.96 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 2aj4 h LEU 288 CO 0.08 0.43 -0.36 0.00 0.09 0.00 0.00 178.44 178.68 2aj4 h ALA 289 N 1.35 -0.71 0.16 1.53 0.00 -1.37 0.49 119.26 120.71 2aj4 h ALA 289 Ca 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2aj4 h ALA 289 Cb 0.15 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2aj4 h ALA 289 CO -0.16 -0.95 -0.14 0.00 0.00 0.00 0.00 179.25 178.00 2aj4 h ALA 290 N -0.17 -0.29 -0.86 0.00 0.00 -0.97 0.39 119.26 117.36 2aj4 h ALA 290 Ca -0.00 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.06 2aj4 h ALA 290 Cb 0.65 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 2aj4 h ALA 290 CO -0.14 -0.68 0.58 1.15 0.00 0.00 0.00 179.25 180.16 2aj4 h THR 291 N -0.32 0.68 -0.64 0.00 2.02 0.14 -0.34 112.91 114.45 2aj4 h THR 291 Ca -0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2aj4 h THR 291 Cb 0.30 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 2aj4 h THR 291 CO -0.03 0.06 0.00 -1.22 0.37 0.00 0.00 175.52 174.71 2aj4 n TYR 292 N -4.47 1.23 -3.17 3.16 4.01 0.17 -4.96 117.16 113.13 2aj4 n TYR 292 Ca 0.18 -0.58 -0.19 0.00 -0.16 0.00 0.00 57.90 57.16 2aj4 n TYR 292 Cb 0.70 -0.15 0.05 0.00 -0.31 0.00 0.00 39.34 39.63 2aj4 n TYR 292 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aj4 n GLY 293 N 1.20 -0.25 3.49 2.72 0.00 0.99 -5.02 105.19 108.32 2aj4 n GLY 293 Ca 0.24 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 46.04 2aj4 n GLY 293 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2aj4 s VAL 294 N -3.17 2.05 -0.19 1.61 -7.23 0.82 -4.99 120.40 109.30 2aj4 s VAL 294 Ca 0.38 -2.20 -0.02 0.00 -1.81 0.00 0.00 61.98 58.32 2aj4 s VAL 294 Cb -0.17 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.24 2aj4 s VAL 294 CO 0.47 -0.27 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.21 2aj4 s VAL 295 N -2.75 3.14 0.10 1.32 1.01 -1.26 -4.07 120.40 117.88 2aj4 s VAL 295 Ca 0.31 -0.59 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 2aj4 s VAL 295 Cb 0.02 -2.39 -0.06 0.00 0.00 0.00 0.00 36.38 33.95 2aj4 s VAL 295 CO 0.14 0.47 1.58 -0.07 0.00 0.00 0.00 175.10 177.22 2aj4 h LEU 296 N 7.67 0.43 0.00 3.92 3.38 -1.96 -3.50 115.31 125.26 2aj4 h LEU 296 Ca -0.38 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2aj4 h LEU 296 Cb 1.17 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2aj4 h LEU 296 CO 0.60 0.57 0.00 0.18 0.09 0.00 0.00 178.44 179.88 2aj4 n LEU 297 N -4.67 0.00 -2.16 1.67 4.77 -1.26 -4.87 117.00 110.48 2aj4 n LEU 297 Ca -0.03 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2aj4 n LEU 297 Cb 0.20 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2aj4 n LEU 297 CO 0.37 0.00 -0.20 0.59 -1.33 0.00 0.00 177.39 176.82 2aj4 n ASN 306 N 0.00 -3.97 -4.68 -1.43 3.02 -1.26 -5.17 115.26 101.77 2aj4 n ASN 306 Ca 0.00 1.36 -0.24 0.00 -0.03 0.00 0.00 54.58 55.67 2aj4 n ASN 306 Cb 0.00 -3.04 -0.07 0.00 -0.61 0.00 0.00 39.78 36.05 2aj4 n ASN 306 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2aj4 s LYS 307 N -0.25 2.22 0.73 3.52 1.02 -1.26 -5.13 119.74 120.60 2aj4 s LYS 307 Ca -0.00 -1.65 -0.12 0.00 0.02 0.00 0.00 55.97 54.22 2aj4 s LYS 307 Cb 0.00 -2.05 0.03 0.00 -0.52 0.00 0.00 37.83 35.29 2aj4 s LYS 307 CO 0.01 0.12 1.11 0.20 -0.92 0.00 0.00 175.35 175.87 2aj4 s GLY 308 N -3.78 1.62 0.41 -3.33 0.00 -1.26 -5.08 107.32 95.90 2aj4 s GLY 308 Ca 0.36 -0.39 0.02 0.00 0.00 0.00 0.00 44.72 44.72 2aj4 s GLY 308 CO 0.21 0.01 0.19 1.16 0.00 0.00 0.00 173.10 174.67 2aj4 n ASN 309 N -3.11 2.63 0.28 1.64 0.23 -1.26 -4.71 115.26 110.96 2aj4 n ASN 309 Ca 0.07 -2.55 0.14 0.00 -0.53 0.00 0.00 54.58 51.71 2aj4 n ASN 309 Cb 0.58 0.09 0.81 0.00 -2.08 0.00 0.00 39.78 39.17 2aj4 n ASN 309 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2aj4 h LEU 310 N 0.00 0.00 -0.13 -4.53 3.38 -1.82 -0.83 115.31 111.39 2aj4 h LEU 310 Ca -0.29 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.46 2aj4 h LEU 310 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2aj4 h LEU 310 CO 0.46 0.08 -0.99 -0.09 0.09 0.00 0.00 178.44 177.99 2aj4 h ARG 311 N 0.00 0.22 0.07 1.13 2.43 -1.95 -2.63 114.38 113.64 2aj4 h ARG 311 Ca -0.00 -0.28 0.01 0.00 -0.81 0.00 0.00 59.98 58.90 2aj4 h ARG 311 Cb 0.26 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2aj4 h ARG 311 CO 0.01 1.05 -0.10 -0.44 -1.51 0.00 0.00 179.97 178.98 2aj4 h ASP 312 N 0.10 -0.27 -0.84 -3.80 3.32 -1.49 -1.46 116.42 111.98 2aj4 h ASP 312 Ca -0.07 0.03 0.09 0.00 0.02 0.00 0.00 57.03 57.10 2aj4 h ASP 312 Cb 1.66 0.10 -0.07 0.00 0.22 0.00 0.00 39.33 41.25 2aj4 h ASP 312 CO 0.15 -0.15 0.50 0.15 -1.72 0.00 0.00 179.24 178.17 2aj4 h PHE 313 N -0.21 0.90 -0.80 4.55 3.57 -1.33 -0.49 116.94 123.14 2aj4 h PHE 313 Ca 0.02 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.57 2aj4 h PHE 313 Cb 0.22 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.63 2aj4 h PHE 313 CO -0.13 0.39 0.51 1.98 -2.23 0.00 0.00 178.31 178.83 2aj4 h MET 314 N 0.85 0.97 -0.30 1.11 4.05 -0.91 -1.05 114.93 119.65 2aj4 h MET 314 Ca 0.40 -0.06 -0.12 0.00 -0.28 0.00 0.00 59.70 59.64 2aj4 h MET 314 Cb 0.32 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 30.90 2aj4 h MET 314 CO -0.23 0.64 -0.29 -0.91 0.23 0.00 0.00 176.91 176.35 2aj4 h ASN 315 N 1.00 0.78 0.12 1.39 2.35 -0.28 -2.94 115.58 118.00 2aj4 h ASN 315 Ca 0.31 -0.47 -0.01 0.00 -0.55 0.00 0.00 56.30 55.59 2aj4 h ASN 315 Cb -0.01 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.14 2aj4 h ASN 315 CO -0.11 1.09 -0.06 0.58 -1.65 0.00 0.00 177.43 177.28 2aj4 h VAL 316 N 0.48 0.97 -0.18 2.81 2.07 -1.00 0.52 116.25 121.92 2aj4 h VAL 316 Ca 0.05 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.28 2aj4 h VAL 316 Cb 0.87 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.75 2aj4 h VAL 316 CO 0.07 0.08 -0.32 0.22 0.02 0.00 0.00 177.57 177.65 2aj4 h TYR 317 N -0.32 -0.88 -0.73 1.57 3.20 -1.26 0.83 116.97 119.36 2aj4 h TYR 317 Ca -0.02 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.93 2aj4 h TYR 317 Cb 0.26 0.41 -0.04 0.00 1.54 0.00 0.00 36.73 38.91 2aj4 h TYR 317 CO -0.02 -0.39 0.48 1.88 -1.64 0.00 0.00 178.16 178.47 2aj4 h TYR 318 N -0.37 0.86 -0.13 -3.82 -1.99 -1.32 0.70 116.97 110.90 2aj4 h TYR 318 Ca 0.11 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.84 2aj4 h TYR 318 Cb 0.54 -0.29 -0.00 0.00 2.00 0.00 0.00 36.73 38.98 2aj4 h TYR 318 CO -0.43 0.50 -0.01 0.00 -0.00 0.00 0.00 178.16 178.22 2aj4 h ALA 319 N 1.57 0.18 -0.11 3.88 0.00 0.22 0.22 119.26 125.22 2aj4 h ALA 319 Ca 0.29 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 2aj4 h ALA 319 Cb 0.07 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2aj4 h ALA 319 CO -0.08 -0.11 -0.79 -0.09 0.00 0.00 0.00 179.25 178.18 2aj4 h ARG 320 N -0.03 0.66 0.00 0.00 9.65 0.18 -2.87 114.38 121.96 2aj4 h ARG 320 Ca 0.04 -0.56 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 2aj4 h ARG 320 Cb 0.39 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 2aj4 h ARG 320 CO 0.01 1.17 -1.48 0.66 2.80 0.00 0.00 179.97 183.13 2aj4 n TYR 321 N -3.89 0.00 0.35 2.20 4.02 0.23 -4.47 117.16 115.60 2aj4 n TYR 321 Ca -0.07 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.87 2aj4 n TYR 321 Cb 0.75 -0.27 0.03 0.00 -0.02 0.00 0.00 39.34 39.83 2aj4 n TYR 321 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2aj4 n HIS 322 N -1.88 0.00 -1.33 -0.72 8.25 0.64 -4.97 115.22 115.21 2aj4 n HIS 322 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.33 2aj4 n HIS 322 Cb 0.37 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.44 2aj4 n HIS 322 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2aj4 n ASN 323 N 0.46 -4.58 -4.48 0.41 3.02 -0.44 -4.94 115.26 104.70 2aj4 n ASN 323 Ca 0.05 0.28 -0.43 0.00 -0.03 0.00 0.00 54.58 54.45 2aj4 n ASN 323 Cb 0.21 -3.07 -0.05 0.00 -0.61 0.00 0.00 39.78 36.27 2aj4 n ASN 323 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2aj4 s ILE 324 N -2.34 4.50 0.10 2.41 1.01 -0.91 -4.89 121.20 121.08 2aj4 s ILE 324 Ca 0.00 -0.10 -0.24 0.00 0.00 0.00 0.00 60.65 60.31 2aj4 s ILE 324 Cb 0.00 -4.51 -0.13 0.00 0.01 0.00 0.00 42.46 37.83 2aj4 s ILE 324 CO 0.00 -1.12 1.71 0.77 0.00 0.00 0.00 174.94 176.30 2aj4 h SER 325 N 9.29 -0.19 -3.21 3.58 4.64 -1.88 -3.28 113.55 122.51 2aj4 h SER 325 Ca -0.27 0.02 -0.55 0.00 -0.47 0.00 0.00 61.79 60.52 2aj4 h SER 325 Cb 1.08 0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 2aj4 h SER 325 CO 1.08 -0.11 0.57 -0.89 -0.87 0.00 0.00 176.83 176.61 2aj4 s THR 326 N -6.17 4.40 0.42 2.95 2.01 -1.26 -5.00 115.64 112.99 2aj4 s THR 326 Ca -0.14 1.72 -0.25 0.00 0.31 0.00 0.00 61.69 63.33 2aj4 s THR 326 Cb 0.07 -4.10 -0.08 0.00 0.01 0.00 0.00 72.50 68.39 2aj4 s THR 326 CO 0.66 0.06 1.18 -2.84 -0.69 0.00 0.00 174.62 173.00 2aj4 s PRO 327 N 1.62 3.95 0.04 4.92 0.02 -1.26 -4.91 135.00 139.37 2aj4 s PRO 327 Ca 0.55 1.85 -0.38 0.00 0.02 0.00 0.00 61.00 63.04 2aj4 s PRO 327 Cb -0.24 -2.60 -0.18 0.00 0.02 0.00 0.00 34.50 31.50 2aj4 s PRO 327 CO 0.25 -0.41 1.28 1.87 -0.33 0.00 0.00 177.00 179.66 2aj4 n TRP 328 N -0.10 1.29 0.99 6.54 -0.00 -1.26 -4.90 117.44 120.00 2aj4 n TRP 328 Ca 0.05 0.76 0.11 0.00 -0.00 0.00 0.00 57.50 58.42 2aj4 n TRP 328 Cb 0.47 -2.27 -0.03 0.00 -0.00 0.00 0.00 31.31 29.48 2aj4 n TRP 328 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 2aj4 n ASN 329 N 2.36 1.75 0.00 5.87 6.94 -1.26 -4.50 115.26 126.43 2aj4 n ASN 329 Ca 0.19 -1.38 0.00 0.00 -0.02 0.00 0.00 54.58 53.38 2aj4 n ASN 329 Cb 0.15 0.61 0.00 0.00 -2.36 0.00 0.00 39.78 38.19 2aj4 n ASN 329 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2aj4 n GLY 330 N 1.43 0.73 3.64 4.83 0.00 -1.26 -4.72 105.19 109.84 2aj4 n GLY 330 Ca 0.08 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.52 2aj4 n GLY 330 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2aj4 n ASP 331 N 0.00 1.48 0.28 1.61 2.03 -1.26 -4.75 116.55 115.93 2aj4 n ASP 331 Ca 0.00 1.13 -0.17 0.00 0.52 0.00 0.00 54.79 56.27 2aj4 n ASP 331 Cb 0.00 -1.06 -0.08 0.00 -0.72 0.00 0.00 41.12 39.25 2aj4 n ASP 331 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2aj4 h ILE 332 N 4.17 0.26 -0.73 5.18 2.04 -1.97 -1.41 117.51 125.04 2aj4 h ILE 332 Ca -0.47 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.39 2aj4 h ILE 332 Cb 1.36 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 2aj4 h ILE 332 CO 0.85 0.00 0.48 -0.33 0.00 0.00 0.00 178.15 179.15 2aj4 h GLU 333 N -0.82 0.97 -0.08 2.37 5.08 -1.98 -0.05 114.58 120.07 2aj4 h GLU 333 Ca -0.05 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.10 2aj4 h GLU 333 Cb 0.70 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2aj4 h GLU 333 CO 0.00 0.64 -0.61 0.66 -1.00 0.00 0.00 179.01 178.70 2aj4 h SER 334 N 1.00 0.31 -0.19 1.42 4.64 -1.91 -2.96 113.55 115.85 2aj4 h SER 334 Ca 0.27 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 2aj4 h SER 334 Cb -0.11 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 2aj4 h SER 334 CO -0.06 0.85 0.08 1.23 -0.87 0.00 0.00 176.83 178.06 2aj4 h GLY 335 N 1.44 0.31 0.64 -0.77 0.00 -0.17 -0.39 103.07 104.13 2aj4 h GLY 335 Ca -0.01 -0.16 0.11 0.00 0.00 0.00 0.00 47.33 47.27 2aj4 h GLY 335 CO 0.10 0.15 0.59 -2.22 0.00 0.00 0.00 176.54 175.16 2aj4 h ILE 336 N 0.17 0.94 0.19 2.60 2.04 -1.01 -0.64 117.51 121.79 2aj4 h ILE 336 Ca 0.06 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 2aj4 h ILE 336 Cb 0.16 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.22 2aj4 h ILE 336 CO -0.01 0.16 -0.09 -0.08 0.00 0.00 0.00 178.15 178.13 2aj4 h GLU 337 N 0.88 -0.25 -0.66 2.37 4.81 -1.25 -2.63 114.58 117.85 2aj4 h GLU 337 Ca 0.44 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.66 2aj4 h GLU 337 Cb 0.47 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 2aj4 h GLU 337 CO -0.20 0.05 0.33 0.00 -0.73 0.00 0.00 179.01 178.46 2aj4 h ARG 338 N -0.54 0.94 -0.87 1.92 3.08 -0.45 -2.51 114.38 115.96 2aj4 h ARG 338 Ca -0.03 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 2aj4 h ARG 338 Cb 0.41 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 2aj4 h ARG 338 CO 0.04 0.74 0.52 -0.07 -1.07 0.00 0.00 179.97 180.14 2aj4 h LEU 339 N 0.91 1.05 -0.26 3.04 3.38 -1.19 0.28 115.31 122.53 2aj4 h LEU 339 Ca 0.23 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.15 2aj4 h LEU 339 Cb 0.10 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2aj4 h LEU 339 CO -0.03 0.81 0.10 0.74 0.09 0.00 0.00 178.44 180.16 2aj4 h THR 340 N 1.20 0.96 0.03 0.22 2.02 -1.26 0.27 112.91 116.35 2aj4 h THR 340 Ca 0.31 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.44 2aj4 h THR 340 Cb -0.04 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 2aj4 h THR 340 CO -0.06 0.04 -0.23 0.50 0.37 0.00 0.00 175.52 176.14 2aj4 h LYS 341 N 0.23 -0.37 -0.98 6.66 1.63 -0.92 -0.91 116.57 121.92 2aj4 h LYS 341 Ca 0.11 0.02 0.21 0.00 -0.85 0.00 0.00 60.65 60.14 2aj4 h LYS 341 Cb 0.06 0.08 -0.11 0.00 -0.60 0.00 0.00 32.23 31.66 2aj4 h LYS 341 CO -0.10 -0.24 0.57 0.52 -3.45 0.00 0.00 179.45 176.75 2aj4 h MET 342 N -0.38 0.64 -0.38 1.90 2.86 0.46 0.58 114.93 120.61 2aj4 h MET 342 Ca 0.05 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 2aj4 h MET 342 Cb 0.44 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2aj4 h MET 342 CO -0.19 0.43 0.17 -0.07 1.06 0.00 0.00 176.91 178.31 2aj4 h LEU 343 N 0.66 0.47 -0.20 1.22 3.38 0.86 -1.37 115.31 120.33 2aj4 h LEU 343 Ca 0.59 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.47 2aj4 h LEU 343 Cb 0.99 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2aj4 h LEU 343 CO -0.42 0.41 -0.07 0.58 0.09 0.00 0.00 178.44 179.02 2aj4 h VAL 344 N 0.52 1.30 -0.91 1.22 2.07 0.78 -2.05 116.25 119.18 2aj4 h VAL 344 Ca 0.13 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 2aj4 h VAL 344 Cb 0.08 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 2aj4 h VAL 344 CO -0.02 0.33 0.53 -0.07 0.02 0.00 0.00 177.57 178.37 2aj4 h LEU 345 N 0.10 1.10 -0.29 2.57 3.38 -0.51 0.29 115.31 121.96 2aj4 h LEU 345 Ca 0.05 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2aj4 h LEU 345 Cb 0.54 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2aj4 h LEU 345 CO 0.02 0.86 0.12 0.58 0.09 0.00 0.00 178.44 180.11 2aj4 h VAL 346 N 1.26 0.95 -0.44 1.22 2.07 -1.10 0.12 116.25 120.33 2aj4 h VAL 346 Ca 0.32 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.80 2aj4 h VAL 346 Cb -0.03 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 2aj4 h VAL 346 CO -0.06 0.05 0.19 -0.08 0.02 0.00 0.00 177.57 177.69 2aj4 h GLU 347 N 0.26 0.38 -0.01 1.57 4.57 -0.98 0.38 114.58 120.75 2aj4 h GLU 347 Ca 0.12 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.22 2aj4 h GLU 347 Cb 0.07 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 2aj4 h GLU 347 CO -0.11 0.25 -0.28 1.49 -1.18 0.00 0.00 179.01 179.18 2aj4 h GLU 348 N 0.39 0.03 0.00 1.92 4.81 0.05 -3.27 114.58 118.50 2aj4 h GLU 348 Ca 0.20 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2aj4 h GLU 348 Cb 0.15 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2aj4 h GLU 348 CO -0.17 0.30 -0.42 -1.13 -0.73 0.00 0.00 179.01 176.86 2aj4 n SER 349 N -4.20 2.10 -0.02 1.04 3.41 0.31 -4.82 113.62 111.44 2aj4 n SER 349 Ca -0.02 -0.25 0.01 0.00 -0.26 0.00 0.00 58.87 58.35 2aj4 n SER 349 Cb 0.33 0.92 -0.07 0.00 -0.26 0.00 0.00 64.21 65.12 2aj4 n SER 349 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2aj4 n LEU 350 N -1.13 0.00 0.33 1.04 4.77 0.13 -4.62 117.00 117.52 2aj4 n LEU 350 Ca 0.00 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.15 2aj4 n LEU 350 Cb 0.00 0.10 0.91 0.00 -2.33 0.00 0.00 43.42 42.11 2aj4 n LEU 350 CO 0.00 0.10 1.14 0.00 -1.33 0.00 0.00 177.39 177.31 2aj4 h ALA 351 N 0.70 1.29 0.00 -1.18 0.00 -1.57 -2.11 119.26 116.39 2aj4 h ALA 351 Ca -0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2aj4 h ALA 351 Cb 0.96 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2aj4 h ALA 351 CO 0.01 -0.26 -0.02 -2.95 0.00 0.00 0.00 179.25 176.02 2aj4 h ASN 352 N 0.00 0.00 -1.27 0.00 -1.07 -1.84 -3.05 115.58 108.34 2aj4 h ASN 352 Ca 0.01 0.00 -0.65 0.00 0.07 0.00 0.00 56.30 55.73 2aj4 h ASN 352 Cb 0.52 0.00 -0.35 0.00 -2.07 0.00 0.00 38.32 36.42 2aj4 h ASN 352 CO -0.00 0.02 0.15 0.29 0.07 0.00 0.00 177.43 177.96 2aj4 n LYS 353 N -3.14 3.10 0.20 4.14 5.02 -0.79 -4.74 118.16 121.95 2aj4 n LYS 353 Ca 0.00 -3.83 0.18 0.00 -2.02 0.00 0.00 58.31 52.64 2aj4 n LYS 353 Cb 0.28 -2.27 0.77 0.00 -0.02 0.00 0.00 35.03 33.79 2aj4 n LYS 353 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2aj4 h LYS 354 N 2.40 0.00 0.00 1.97 1.57 -1.71 0.24 116.57 121.04 2aj4 h LYS 354 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 2aj4 h LYS 354 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 2aj4 h LYS 354 CO 1.19 0.00 -0.03 1.96 -0.57 0.00 0.00 179.45 182.00 2aj4 h GLN 355 N 0.00 0.00 0.00 3.15 4.20 -1.90 -3.49 115.11 117.07 2aj4 h GLN 355 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2aj4 h GLN 355 Cb 0.90 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.68 2aj4 h GLN 355 CO -0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 2aj4 n GLY 356 N 1.21 3.67 3.67 3.46 0.00 0.85 -4.94 105.19 113.10 2aj4 n GLY 356 Ca 0.05 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 2aj4 n GLY 356 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2aj4 s PHE 357 N -2.10 3.20 0.61 1.61 0.40 0.64 -4.85 117.98 117.49 2aj4 s PHE 357 Ca 0.00 0.14 -0.02 0.00 -0.60 0.00 0.00 56.93 56.45 2aj4 s PHE 357 Cb 0.00 -1.87 0.04 0.00 0.51 0.00 0.00 43.02 41.70 2aj4 s PHE 357 CO 0.00 0.37 0.87 -1.54 0.70 0.00 0.00 175.22 175.62 2aj4 s SER 358 N -0.52 5.14 0.58 1.36 1.04 -1.26 0.45 113.70 120.49 2aj4 s SER 358 Ca 0.09 0.20 0.33 0.00 0.48 0.00 0.00 55.95 57.06 2aj4 s SER 358 Cb -0.12 -1.02 1.81 0.00 0.10 0.00 0.00 66.02 66.79 2aj4 s SER 358 CO 0.02 -1.29 2.19 0.58 0.98 0.00 0.00 173.24 175.72 2aj4 h VAL 359 N -0.18 0.34 -0.01 5.02 2.07 -1.99 0.93 116.25 122.43 2aj4 h VAL 359 Ca -0.43 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 2aj4 h VAL 359 Cb 1.30 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2aj4 h VAL 359 CO 0.56 0.04 -0.06 0.44 0.02 0.00 0.00 177.57 178.57 2aj4 h ASP 360 N 0.00 0.07 -0.80 0.57 3.32 -1.98 -0.77 116.42 116.83 2aj4 h ASP 360 Ca -0.00 -0.69 0.07 0.00 0.02 0.00 0.00 57.03 56.43 2aj4 h ASP 360 Cb 0.18 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.64 2aj4 h ASP 360 CO 0.01 0.74 0.48 0.44 -1.72 0.00 0.00 179.24 179.19 2aj4 h ASP 361 N -0.60 0.72 0.13 6.45 3.32 -1.67 -0.05 116.42 124.72 2aj4 h ASP 361 Ca -0.00 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2aj4 h ASP 361 Cb 0.74 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2aj4 h ASP 361 CO 0.01 0.45 -0.06 0.58 -1.72 0.00 0.00 179.24 178.50 2aj4 h VAL 362 N 0.85 1.04 -0.94 -1.35 2.07 -0.84 -1.80 116.25 115.28 2aj4 h VAL 362 Ca 0.36 -0.76 0.09 0.00 0.82 0.00 0.00 66.70 67.21 2aj4 h VAL 362 Cb 0.23 1.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.44 2aj4 h VAL 362 CO -0.20 0.18 0.58 0.00 0.02 0.00 0.00 177.57 178.15 2aj4 h ALA 363 N 0.27 1.35 -0.70 1.67 0.00 -0.75 0.15 119.26 121.25 2aj4 h ALA 363 Ca -0.02 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2aj4 h ALA 363 Cb 0.42 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2aj4 h ALA 363 CO 0.03 0.26 0.27 0.37 0.00 0.00 0.00 179.25 180.18 2aj4 h GLN 364 N 0.99 1.05 -0.39 0.00 4.15 -0.98 -0.45 115.11 119.47 2aj4 h GLN 364 Ca 0.44 -0.20 0.02 0.00 0.77 0.00 0.00 58.65 59.68 2aj4 h GLN 364 Cb 0.32 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 2aj4 h GLN 364 CO -0.22 0.87 0.26 0.77 -1.93 0.00 0.00 178.83 178.58 2aj4 h SER 365 N 1.00 0.41 -0.02 -0.69 0.02 0.09 -2.50 113.55 111.85 2aj4 h SER 365 Ca 0.23 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2aj4 h SER 365 Cb 0.22 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2aj4 h SER 365 CO -0.02 0.29 -0.04 0.18 -1.14 0.00 0.00 176.83 176.10 2aj4 n LEU 366 N -4.48 2.75 -2.78 5.07 4.77 0.18 -4.75 117.00 117.76 2aj4 n LEU 366 Ca 0.03 -0.92 -0.04 0.00 -0.03 0.00 0.00 56.01 55.05 2aj4 n LEU 366 Cb 0.11 -0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 2aj4 n LEU 366 CO 0.35 0.46 0.19 0.59 -1.33 0.00 0.00 177.39 177.65 2aj4 n ASN 367 N 1.10 -6.26 -4.00 -1.43 4.13 -0.38 -5.03 115.26 103.40 2aj4 n ASN 367 Ca 0.14 -0.23 -0.15 0.00 1.68 0.00 0.00 54.58 56.02 2aj4 n ASN 367 Cb 0.56 -4.34 -0.10 0.00 -1.54 0.00 0.00 39.78 34.37 2aj4 n ASN 367 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2aj4 s SER 369 N -3.24 4.99 0.41 0.00 1.04 -1.26 -4.52 113.70 111.13 2aj4 s SER 369 Ca 0.39 -0.20 0.17 0.00 0.48 0.00 0.00 55.95 56.78 2aj4 s SER 369 Cb 0.06 -1.17 1.06 0.00 0.10 0.00 0.00 66.02 66.06 2aj4 s SER 369 CO 0.16 0.17 1.87 0.03 0.98 0.00 0.00 173.24 176.44 2aj4 h ARG 370 N 3.36 0.42 -0.58 4.02 3.08 -1.94 -0.05 114.38 122.68 2aj4 h ARG 370 Ca -0.48 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.48 2aj4 h ARG 370 Cb 1.17 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 2aj4 h ARG 370 CO 0.59 0.28 0.07 0.93 -1.07 0.00 0.00 179.97 180.77 2aj4 h GLU 371 N 0.43 0.94 0.24 0.04 3.07 -1.98 -0.03 114.58 117.29 2aj4 h GLU 371 Ca 0.45 -0.24 -0.01 0.00 -0.50 0.00 0.00 59.36 59.06 2aj4 h GLU 371 Cb 1.08 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 2aj4 h GLU 371 CO -0.17 0.88 -0.12 0.93 -1.40 0.00 0.00 179.01 179.14 2aj4 h GLU 372 N 0.89 -0.31 -0.66 2.33 5.08 -1.43 0.37 114.58 120.84 2aj4 h GLU 372 Ca 0.18 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.70 2aj4 h GLU 372 Cb 0.42 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 29.63 2aj4 h GLU 372 CO 0.01 -0.04 0.05 0.35 -1.00 0.00 0.00 179.01 178.38 2aj4 h PHE 373 N -0.57 0.04 0.49 4.33 3.57 -1.07 0.62 116.94 124.34 2aj4 h PHE 373 Ca -0.03 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 2aj4 h PHE 373 Cb 0.42 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.25 2aj4 h PHE 373 CO 0.01 -0.15 -0.24 1.15 -2.23 0.00 0.00 178.31 176.85 2aj4 h THR 374 N 0.15 0.50 0.09 4.41 2.02 -0.77 0.82 112.91 120.13 2aj4 h THR 374 Ca 0.36 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.39 2aj4 h THR 374 Cb 0.59 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 2aj4 h THR 374 CO -0.54 0.03 -0.29 0.03 0.37 0.00 0.00 175.52 175.11 2aj4 h ARG 375 N -0.76 -0.47 -0.39 6.66 3.08 0.51 -0.97 114.38 122.03 2aj4 h ARG 375 Ca -0.07 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2aj4 h ARG 375 Cb 0.55 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 2aj4 h ARG 375 CO 0.11 -0.32 0.19 -0.44 -1.07 0.00 0.00 179.97 178.44 2aj4 h ASP 376 N -0.49 0.48 0.00 7.04 5.19 -0.86 -3.36 116.42 124.42 2aj4 h ASP 376 Ca 0.04 -0.04 -0.09 0.00 -0.62 0.00 0.00 57.03 56.33 2aj4 h ASP 376 Cb 0.54 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.91 2aj4 h ASP 376 CO -0.19 0.41 -1.33 -1.22 -3.12 0.00 0.00 179.24 173.78 2aj4 n TYR 377 N -4.41 0.00 0.30 4.55 4.02 0.28 -4.82 117.16 117.08 2aj4 n TYR 377 Ca 0.03 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.00 2aj4 n TYR 377 Cb 0.11 -0.23 0.23 0.00 -0.02 0.00 0.00 39.34 39.44 2aj4 n TYR 377 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2aj4 n LEU 378 N -2.59 2.86 -0.01 7.72 4.77 -0.39 -4.49 117.00 124.87 2aj4 n LEU 378 Ca -0.10 -1.43 -0.00 0.00 -0.03 0.00 0.00 56.01 54.44 2aj4 n LEU 378 Cb 0.62 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 2aj4 n LEU 378 CO 0.06 0.70 -0.59 0.35 -1.33 0.00 0.00 177.39 176.58 2aj4 n THR 379 N 1.02 0.15 0.10 -5.08 -2.24 -1.20 -4.36 114.28 102.67 2aj4 n THR 379 Ca 0.18 -0.13 0.17 0.00 -2.27 0.00 0.00 64.05 62.00 2aj4 n THR 379 Cb 0.46 -0.39 0.70 0.00 -2.10 0.00 0.00 70.33 69.00 2aj4 n THR 379 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2aj4 h THR 380 N 0.00 0.74 -2.26 4.28 1.35 -1.81 -3.38 112.91 111.83 2aj4 h THR 380 Ca -0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.79 2aj4 h THR 380 Cb 0.81 0.81 -0.24 0.00 -1.73 0.00 0.00 68.15 67.81 2aj4 h THR 380 CO 0.00 0.00 -0.23 -0.94 -0.25 0.00 0.00 175.52 174.10 2aj4 s SER 381 N -6.31 -0.71 0.11 5.36 1.04 -1.26 -5.14 113.70 106.78 2aj4 s SER 381 Ca -0.05 1.28 -0.31 0.00 0.48 0.00 0.00 55.95 57.35 2aj4 s SER 381 Cb 0.18 1.74 -0.09 0.00 0.10 0.00 0.00 66.02 67.95 2aj4 s SER 381 CO 0.68 -0.22 1.55 -2.16 0.98 0.00 0.00 173.24 174.06 2aj4 s PRO 382 N 2.60 4.24 0.12 4.02 0.04 -1.26 -4.81 135.00 139.94 2aj4 s PRO 382 Ca -0.05 2.26 0.05 0.00 0.04 0.00 0.00 61.00 63.30 2aj4 s PRO 382 Cb -0.11 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 2aj4 s PRO 382 CO -0.16 -0.61 -0.12 0.54 0.04 0.00 0.00 177.00 176.69 2aj4 s VAL 383 N 1.76 1.16 -0.08 -0.36 0.11 -1.26 -4.40 120.40 117.32 2aj4 s VAL 383 Ca 0.70 -1.76 0.04 0.00 -2.93 0.00 0.00 61.98 58.03 2aj4 s VAL 383 Cb -0.40 -1.53 -0.00 0.00 -1.53 0.00 0.00 36.38 32.92 2aj4 s VAL 383 CO 0.31 -0.53 -0.23 -0.13 -3.33 0.00 0.00 175.10 171.19 2aj4 s ARG 384 N -2.92 2.75 0.03 1.54 0.52 0.66 -4.97 118.95 116.56 2aj4 s ARG 384 Ca 0.09 -0.83 -0.29 0.00 -0.52 0.00 0.00 55.73 54.18 2aj4 s ARG 384 Cb -0.03 -2.15 0.10 0.00 0.52 0.00 0.00 34.95 33.39 2aj4 s ARG 384 CO 0.02 0.21 1.10 -0.59 0.02 0.00 0.00 175.30 176.06 2aj4 s PHE 385 N 0.24 -0.13 -0.18 -0.53 -0.12 -1.26 -4.57 117.98 111.44 2aj4 s PHE 385 Ca -0.14 -0.05 -0.03 0.00 -0.05 0.00 0.00 56.93 56.65 2aj4 s PHE 385 Cb -0.17 0.58 -0.10 0.00 -0.63 0.00 0.00 43.02 42.70 2aj4 s PHE 385 CO 0.07 -0.51 -0.19 1.04 -0.05 0.00 0.00 175.22 175.58 2aj4 n GLN 386 N -0.40 0.42 -4.20 1.99 1.13 -1.26 -5.05 117.38 110.01 2aj4 n GLN 386 Ca -0.07 0.13 -0.12 0.00 -1.94 0.00 0.00 57.00 55.00 2aj4 n GLN 386 Cb 0.61 -1.27 -0.10 0.00 0.11 0.00 0.00 30.24 29.59 2aj4 n GLN 386 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2aj4 s VAL 387 N -2.34 0.89 -0.20 5.09 0.11 -1.26 -4.67 120.40 118.01 2aj4 s VAL 387 Ca -0.24 -1.99 -0.03 0.00 -2.93 0.00 0.00 61.98 56.79 2aj4 s VAL 387 Cb 0.08 -1.76 -0.01 0.00 -1.53 0.00 0.00 36.38 33.16 2aj4 s VAL 387 CO 0.37 -0.82 -0.07 -0.76 -3.33 0.00 0.00 175.10 170.49 2aj4 s LEU 388 N -3.10 2.79 -1.28 2.54 1.43 0.17 -4.88 118.68 116.35 2aj4 s LEU 388 Ca 0.14 -0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 52.77 2aj4 s LEU 388 Cb 0.04 -1.69 0.15 0.00 0.03 0.00 0.00 46.19 44.72 2aj4 s LEU 388 CO -0.02 0.01 2.16 0.29 0.23 0.00 0.00 176.35 179.02 2aj4 n LYS 389 N 4.57 4.36 -0.25 1.70 5.02 -1.26 -0.26 118.16 132.04 2aj4 n LYS 389 Ca -0.18 -3.60 0.15 0.00 -2.02 0.00 0.00 58.31 52.65 2aj4 n LYS 389 Cb 0.51 -2.70 0.43 0.00 -0.02 0.00 0.00 35.03 33.25 2aj4 n LYS 389 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2aj4 h LEU 390 N 6.15 0.55 0.35 -0.35 3.38 -1.91 -2.16 115.31 121.33 2aj4 h LEU 390 Ca 0.58 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.58 2aj4 h LEU 390 Cb 0.41 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2aj4 h LEU 390 CO 1.50 0.26 -0.17 0.22 0.09 0.00 0.00 178.44 180.34 2aj4 h TYR 391 N 0.57 -0.44 -0.55 1.13 5.03 -1.86 -2.64 116.97 118.21 2aj4 h TYR 391 Ca 0.45 -0.01 -0.12 0.00 2.58 0.00 0.00 58.73 61.64 2aj4 h TYR 391 Cb 0.89 0.15 -0.02 0.00 1.55 0.00 0.00 36.73 39.30 2aj4 h TYR 391 CO -0.00 -0.15 -0.12 1.96 -1.32 0.00 0.00 178.16 178.53 2aj4 h GLN 392 N -0.70 1.05 -0.16 1.82 7.50 -1.83 -1.42 115.11 121.35 2aj4 h GLN 392 Ca -0.05 -0.39 -0.02 0.00 0.50 0.00 0.00 58.65 58.69 2aj4 h GLN 392 Cb 0.49 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.95 2aj4 h GLN 392 CO 0.08 1.09 0.04 0.00 -1.50 0.00 0.00 178.83 178.54 2aj4 h ARG 393 N 0.93 0.26 -0.65 1.46 -0.00 -1.46 -0.37 114.38 114.55 2aj4 h ARG 393 Ca 0.14 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.98 59.51 2aj4 h ARG 393 Cb 0.69 -0.03 -0.03 0.00 0.00 0.00 0.00 29.97 30.60 2aj4 h ARG 393 CO 0.05 0.40 0.23 0.00 0.00 0.00 0.00 179.97 180.66 2aj4 h ALA 394 N 0.84 0.85 -0.61 0.04 0.00 -1.45 -0.56 119.26 118.38 2aj4 h ALA 394 Ca 0.05 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2aj4 h ALA 394 Cb 0.26 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2aj4 h ALA 394 CO 0.00 0.50 0.35 -0.22 0.00 0.00 0.00 179.25 179.88 2aj4 h LYS 395 N 0.93 0.65 -0.10 0.00 3.64 -1.16 0.73 116.57 121.27 2aj4 h LYS 395 Ca 0.21 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2aj4 h LYS 395 Cb 0.25 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2aj4 h LYS 395 CO -0.01 0.43 0.03 1.25 -2.27 0.00 0.00 179.45 178.87 2aj4 h HIS 396 N 0.67 0.16 -0.15 1.91 2.76 -0.66 -2.13 115.15 117.71 2aj4 h HIS 396 Ca 0.26 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.46 2aj4 h HIS 396 Cb 0.10 -0.05 -0.05 0.00 1.55 0.00 0.00 27.41 28.97 2aj4 h HIS 396 CO -0.07 0.31 -0.15 0.28 -1.30 0.00 0.00 177.93 177.01 2aj4 h VAL 397 N -0.04 0.60 -0.33 5.26 2.07 -0.28 1.18 116.25 124.70 2aj4 h VAL 397 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2aj4 h VAL 397 Cb 0.23 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2aj4 h VAL 397 CO -0.00 0.00 0.21 1.88 0.02 0.00 0.00 177.57 179.68 2aj4 h TYR 398 N -0.17 0.42 -0.30 1.57 0.05 -0.88 -0.81 116.97 116.85 2aj4 h TYR 398 Ca 0.10 0.01 -0.18 0.00 0.05 0.00 0.00 58.73 58.71 2aj4 h TYR 398 Cb 0.32 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 37.92 2aj4 h TYR 398 CO -0.27 0.27 -0.52 0.66 -1.05 0.00 0.00 178.16 177.25 2aj4 h SER 399 N 0.44 0.97 -0.66 3.88 4.64 -1.05 -1.05 113.55 120.73 2aj4 h SER 399 Ca 0.12 -0.51 -0.06 0.00 -0.47 0.00 0.00 61.79 60.87 2aj4 h SER 399 Cb -0.04 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 61.75 2aj4 h SER 399 CO -0.02 1.31 0.20 -0.08 -0.87 0.00 0.00 176.83 177.36 2aj4 h GLU 400 N 0.68 1.05 -0.44 4.77 4.57 0.17 -0.85 114.58 124.53 2aj4 h GLU 400 Ca 0.02 -0.22 0.03 0.00 -1.18 0.00 0.00 59.36 58.01 2aj4 h GLU 400 Cb 1.13 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 29.53 2aj4 h GLU 400 CO 0.12 0.91 0.23 0.77 -1.18 0.00 0.00 179.01 179.85 2aj4 h SER 401 N 1.01 0.33 -0.46 1.04 0.02 -0.89 -1.22 113.55 113.38 2aj4 h SER 401 Ca 0.22 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.25 2aj4 h SER 401 Cb 0.31 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.75 2aj4 h SER 401 CO -0.01 0.24 0.17 0.25 -1.14 0.00 0.00 176.83 176.34 2aj4 h LEU 402 N 0.45 0.18 -1.56 5.07 5.85 -0.85 -1.90 115.31 122.54 2aj4 h LEU 402 Ca 0.19 0.05 0.13 0.00 0.84 0.00 0.00 57.88 59.09 2aj4 h LEU 402 Cb 0.08 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 2aj4 h LEU 402 CO -0.13 0.13 0.48 0.03 -0.34 0.00 0.00 178.44 178.62 2aj4 h ARG 403 N 0.34 0.44 -0.13 1.25 3.08 0.06 -2.02 114.38 117.39 2aj4 h ARG 403 Ca 0.22 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 2aj4 h ARG 403 Cb 0.21 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 2aj4 h ARG 403 CO -0.22 0.29 0.00 0.28 -1.07 0.00 0.00 179.97 179.25 2aj4 h VAL 404 N 0.45 1.25 -0.95 2.04 2.07 -0.91 -1.27 116.25 118.92 2aj4 h VAL 404 Ca 0.35 -0.80 0.13 0.00 0.82 0.00 0.00 66.70 67.20 2aj4 h VAL 404 Cb 0.74 1.52 -0.09 0.00 -1.52 0.00 0.00 31.29 31.94 2aj4 h VAL 404 CO -0.11 0.23 0.57 -0.07 0.02 0.00 0.00 177.57 178.22 2aj4 h LEU 405 N -0.02 0.81 -0.36 2.57 3.38 -1.16 0.40 115.31 120.93 2aj4 h LEU 405 Ca 0.04 0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 2aj4 h LEU 405 Cb 0.35 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2aj4 h LEU 405 CO 0.01 0.41 -0.28 0.11 0.09 0.00 0.00 178.44 178.78 2aj4 h LYS 406 N 0.88 0.82 -0.51 1.13 1.57 -1.26 -2.21 116.57 116.99 2aj4 h LYS 406 Ca 0.49 -0.40 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2aj4 h LYS 406 Cb 0.54 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 2aj4 h LYS 406 CO -0.29 1.04 0.31 0.00 -0.57 0.00 0.00 179.45 179.94 2aj4 h ALA 407 N 0.77 0.64 -0.57 3.86 0.00 -0.01 -0.54 119.26 123.42 2aj4 h ALA 407 Ca 0.07 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2aj4 h ALA 407 Cb 0.85 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 2aj4 h ALA 407 CO 0.07 0.12 0.31 0.28 0.00 0.00 0.00 179.25 180.04 2aj4 h VAL 408 N 0.68 0.99 0.30 0.00 2.07 -0.90 0.34 116.25 119.73 2aj4 h VAL 408 Ca 0.18 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 2aj4 h VAL 408 Cb -0.02 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 2aj4 h VAL 408 CO -0.04 0.11 -0.25 0.11 0.02 0.00 0.00 177.57 177.52 2aj4 h LYS 409 N 0.60 -0.55 -0.27 1.57 1.57 -0.73 -1.78 116.57 116.98 2aj4 h LYS 409 Ca 0.25 0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.12 2aj4 h LYS 409 Cb 0.12 0.12 -0.08 0.00 0.08 0.00 0.00 32.23 32.47 2aj4 h LYS 409 CO -0.15 -0.36 -0.39 -0.07 -0.57 0.00 0.00 179.45 177.91 2aj4 h LEU 410 N -0.57 -1.24 -0.06 2.94 3.38 -0.46 0.91 115.31 120.20 2aj4 h LEU 410 Ca -0.02 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2aj4 h LEU 410 Cb 0.50 0.54 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2aj4 h LEU 410 CO -0.02 -0.38 0.01 0.23 0.09 0.00 0.00 178.44 178.38 2aj4 n MET 411 N -5.42 0.01 -0.01 1.13 2.81 0.05 -2.67 117.12 113.02 2aj4 n MET 411 Ca -0.02 0.49 -0.01 0.00 -1.81 0.00 0.00 57.70 56.35 2aj4 n MET 411 Cb 0.35 -1.53 -0.01 0.00 -0.71 0.00 0.00 33.22 31.31 2aj4 n MET 411 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2aj4 n THR 412 N -1.52 0.14 -4.41 2.03 -1.04 -0.18 -4.33 114.28 104.97 2aj4 n THR 412 Ca -0.00 -0.08 -0.19 0.00 -2.04 0.00 0.00 64.05 61.74 2aj4 n THR 412 Cb 0.02 -0.85 -0.15 0.00 -1.82 0.00 0.00 70.33 67.53 2aj4 n THR 412 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2aj4 s THR 413 N -2.05 0.76 0.00 12.58 -4.23 0.30 -5.07 115.64 117.93 2aj4 s THR 413 Ca -0.02 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 2aj4 s THR 413 Cb 0.01 -0.64 0.00 0.00 1.34 0.00 0.00 72.50 73.21 2aj4 s THR 413 CO 0.08 0.22 0.00 0.49 -0.54 0.00 0.00 174.62 174.86 2aj4 n PHE 416 N 2.85 0.00 -0.04 3.99 3.01 -1.26 -4.96 117.46 121.05 2aj4 n PHE 416 Ca -0.14 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.32 2aj4 n PHE 416 Cb 0.57 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.03 2aj4 n PHE 416 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 2aj4 h THR 417 N 0.00 0.00 -2.96 4.37 2.02 -2.02 -3.45 112.91 110.87 2aj4 h THR 417 Ca 0.00 -0.83 -0.62 0.00 0.77 0.00 0.00 66.41 65.74 2aj4 h THR 417 Cb 0.00 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.36 2aj4 h THR 417 CO 0.00 0.00 -0.30 0.00 0.37 0.00 0.00 175.52 175.59 2aj4 s ALA 418 N -2.64 3.77 0.26 6.16 0.00 -1.26 -4.98 121.76 123.07 2aj4 s ALA 418 Ca -0.01 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 2aj4 s ALA 418 Cb 0.00 -2.21 0.47 0.00 0.00 0.00 0.00 23.12 21.38 2aj4 s ALA 418 CO 0.01 0.57 1.79 -0.44 0.00 0.00 0.00 175.76 177.69 2aj4 h ASP 419 N 4.28 0.62 -0.11 0.00 3.32 -2.00 0.36 116.42 122.89 2aj4 h ASP 419 Ca -0.51 0.07 0.03 0.00 0.02 0.00 0.00 57.03 56.64 2aj4 h ASP 419 Cb 1.21 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 2aj4 h ASP 419 CO 0.63 0.31 0.20 -0.08 -1.72 0.00 0.00 179.24 178.58 2aj4 h GLU 420 N 0.72 0.00 -0.63 3.56 4.81 -2.00 0.12 114.58 121.16 2aj4 h GLU 420 Ca 0.44 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.62 2aj4 h GLU 420 Cb 0.52 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 2aj4 h GLU 420 CO -0.30 0.00 0.21 -0.44 -0.73 0.00 0.00 179.01 177.75 2aj4 h ASP 421 N 0.00 0.87 -0.04 1.04 5.19 -0.66 -2.43 116.42 120.39 2aj4 h ASP 421 Ca 0.05 -0.14 -0.15 0.00 -0.62 0.00 0.00 57.03 56.18 2aj4 h ASP 421 Cb 0.44 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 39.74 2aj4 h ASP 421 CO -0.00 0.81 -0.55 0.15 -3.12 0.00 0.00 179.24 176.53 2aj4 h PHE 422 N 0.92 0.63 -0.15 4.55 3.57 -0.83 -2.91 116.94 122.72 2aj4 h PHE 422 Ca 0.21 -0.31 0.05 0.00 3.53 0.00 0.00 57.97 61.44 2aj4 h PHE 422 Cb 0.24 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.83 2aj4 h PHE 422 CO 0.02 1.11 -0.29 0.74 -2.23 0.00 0.00 178.31 177.66 2aj4 h PHE 423 N -0.04 -0.78 0.55 0.41 -1.00 -1.40 0.12 116.94 114.80 2aj4 h PHE 423 Ca -0.06 0.04 -0.03 0.00 2.81 0.00 0.00 57.97 60.73 2aj4 h PHE 423 Cb 1.24 0.37 0.01 0.00 3.61 0.00 0.00 35.95 41.17 2aj4 h PHE 423 CO 0.14 -0.37 -0.26 0.87 -1.61 0.00 0.00 178.31 177.07 2aj4 h LYS 424 N -0.35 -0.71 -0.46 1.51 1.57 -1.56 0.25 116.57 116.82 2aj4 h LYS 424 Ca 0.10 0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.00 2aj4 h LYS 424 Cb 0.51 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.92 2aj4 h LYS 424 CO -0.34 -0.43 0.12 1.96 -0.57 0.00 0.00 179.45 180.19 2aj4 h GLN 425 N -0.85 0.26 -0.21 3.15 4.20 -1.33 0.44 115.11 120.77 2aj4 h GLN 425 Ca -0.08 -0.02 -0.19 0.00 0.06 0.00 0.00 58.65 58.43 2aj4 h GLN 425 Cb 0.61 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2aj4 h GLN 425 CO 0.12 0.17 -0.60 0.35 -0.67 0.00 0.00 178.83 178.21 2aj4 h PHE 426 N 0.27 1.01 -0.83 2.96 3.57 -0.76 -3.02 116.94 120.14 2aj4 h PHE 426 Ca 0.22 -0.40 0.06 0.00 3.53 0.00 0.00 57.97 61.38 2aj4 h PHE 426 Cb 0.26 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 2aj4 h PHE 426 CO -0.19 1.22 0.54 0.78 -2.23 0.00 0.00 178.31 178.43 2aj4 h GLY 427 N 0.52 1.17 1.02 2.40 0.00 0.18 -1.42 103.07 106.93 2aj4 h GLY 427 Ca -0.02 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 2aj4 h GLY 427 CO 0.13 0.28 0.33 0.00 0.00 0.00 0.00 176.54 177.28 2aj4 h ALA 428 N 1.54 0.95 -0.90 3.60 0.00 -0.05 -0.42 119.26 123.99 2aj4 h ALA 428 Ca 0.35 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2aj4 h ALA 428 Cb 0.19 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2aj4 h ALA 428 CO -0.12 0.54 0.48 -0.07 0.00 0.00 0.00 179.25 180.08 2aj4 h LEU 429 N 1.04 1.13 -0.44 0.00 3.38 -1.17 0.21 115.31 119.46 2aj4 h LEU 429 Ca 0.25 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2aj4 h LEU 429 Cb 0.16 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2aj4 h LEU 429 CO -0.03 0.91 0.24 0.24 0.09 0.00 0.00 178.44 179.90 2aj4 h MET 430 N 1.26 0.61 -0.55 1.13 2.86 -0.58 0.52 114.93 120.18 2aj4 h MET 430 Ca 0.31 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.83 2aj4 h MET 430 Cb 0.04 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 2aj4 h MET 430 CO -0.05 0.49 0.11 -0.91 1.06 0.00 0.00 176.91 177.61 2aj4 h ASN 431 N 0.57 0.81 -0.55 1.22 2.35 -0.58 0.05 115.58 119.46 2aj4 h ASN 431 Ca 0.15 -0.16 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 2aj4 h ASN 431 Cb 0.05 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 2aj4 h ASN 431 CO -0.02 0.81 -0.09 -0.33 -1.65 0.00 0.00 177.43 176.14 2aj4 h GLU 432 N 0.83 1.04 -0.84 0.81 5.08 -0.08 -2.22 114.58 119.20 2aj4 h GLU 432 Ca 0.18 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 2aj4 h GLU 432 Cb 0.34 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 2aj4 h GLU 432 CO 0.00 1.07 0.49 1.03 -1.00 0.00 0.00 179.01 180.60 2aj4 h SER 433 N 0.92 1.03 -0.49 1.42 0.87 -0.21 -1.10 113.55 115.98 2aj4 h SER 433 Ca 0.15 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 2aj4 h SER 433 Cb 0.66 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 2aj4 h SER 433 CO 0.05 0.81 0.19 -0.61 -0.53 0.00 0.00 176.83 176.74 2aj4 h GLN 434 N 1.17 0.74 -0.66 2.24 5.75 -0.65 0.32 115.11 124.02 2aj4 h GLN 434 Ca 0.30 -0.13 0.03 0.00 -0.15 0.00 0.00 58.65 58.70 2aj4 h GLN 434 Cb -0.02 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.37 2aj4 h GLN 434 CO -0.05 0.66 0.40 0.00 -2.65 0.00 0.00 178.83 177.19 2aj4 h ALA 435 N 1.04 0.86 -0.19 3.38 0.00 -1.23 0.13 119.26 123.24 2aj4 h ALA 435 Ca 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2aj4 h ALA 435 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2aj4 h ALA 435 CO -0.01 0.16 0.06 1.03 0.00 0.00 0.00 179.25 180.49 2aj4 h SER 436 N 0.79 0.28 -0.91 0.00 0.87 -0.71 0.45 113.55 114.32 2aj4 h SER 436 Ca 0.27 -0.20 0.05 0.00 -1.23 0.00 0.00 61.79 60.68 2aj4 h SER 436 Cb 0.03 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 61.86 2aj4 h SER 436 CO -0.11 0.40 0.58 0.00 -0.53 0.00 0.00 176.83 177.17 2aj4 h ASP 438 N 1.09 -0.23 -0.23 0.00 3.58 -0.57 0.29 116.42 120.36 2aj4 h ASP 438 Ca 0.38 -0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.69 2aj4 h ASP 438 Cb 0.09 0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.19 2aj4 h ASP 438 CO -0.15 0.25 -0.36 0.11 -2.88 0.00 0.00 179.24 176.21 2aj4 h LYS 439 N -1.07 0.66 0.08 0.28 1.57 -0.01 -2.53 116.57 115.55 2aj4 h LYS 439 Ca -0.03 -0.40 -0.35 0.00 -1.87 0.00 0.00 60.65 58.01 2aj4 h LYS 439 Cb 0.22 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 2aj4 h LYS 439 CO 0.04 1.01 -1.95 1.28 -0.57 0.00 0.00 179.45 179.26 2aj4 n LEU 440 N -4.24 2.52 0.02 2.94 4.77 0.34 -4.49 117.00 118.85 2aj4 n LEU 440 Ca -0.05 0.21 0.11 0.00 -0.03 0.00 0.00 56.01 56.25 2aj4 n LEU 440 Cb 0.52 -1.06 0.06 0.00 -2.33 0.00 0.00 43.42 40.61 2aj4 n LEU 440 CO 0.45 0.76 0.10 0.00 -1.33 0.00 0.00 177.39 177.37 2aj4 n TYR 441 N -3.65 0.23 -3.84 -1.77 9.36 -0.44 -4.32 117.16 112.73 2aj4 n TYR 441 Ca -0.35 0.07 -0.29 0.00 3.32 0.00 0.00 57.90 60.66 2aj4 n TYR 441 Cb 0.97 -0.40 0.01 0.00 -0.63 0.00 0.00 39.34 39.30 2aj4 n TYR 441 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2aj4 n GLU 442 N -1.87 -2.44 -0.07 2.98 1.02 0.95 -4.87 120.64 116.34 2aj4 n GLU 442 Ca 0.03 0.42 0.02 0.00 -0.02 0.00 0.00 57.16 57.61 2aj4 n GLU 442 Cb 0.41 -4.31 0.03 0.00 -0.02 0.00 0.00 31.44 27.55 2aj4 n GLU 442 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2aj4 n SER 444 N -0.55 0.00 -3.54 0.00 2.88 -1.26 0.16 113.62 111.31 2aj4 n SER 444 Ca 0.04 -0.89 -0.08 0.00 -1.33 0.00 0.00 58.87 56.60 2aj4 n SER 444 Cb 0.44 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.87 2aj4 n SER 444 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2aj4 h PRO 446 N 2.19 0.70 -0.69 0.00 0.11 -2.00 0.35 132.00 132.66 2aj4 h PRO 446 Ca -0.19 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.83 2aj4 h PRO 446 Cb 1.20 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 2aj4 h PRO 446 CO 0.30 0.47 0.22 0.93 -0.21 0.00 0.00 178.00 179.70 2aj4 h GLU 447 N 0.73 1.07 -0.13 1.05 3.07 -1.98 0.57 114.58 118.96 2aj4 h GLU 447 Ca 0.49 -0.23 -0.01 0.00 -0.50 0.00 0.00 59.36 59.11 2aj4 h GLU 447 Cb 0.67 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 2aj4 h GLU 447 CO -0.34 0.92 0.05 0.82 -1.40 0.00 0.00 179.01 179.06 2aj4 h ILE 448 N 1.00 1.15 -0.19 3.13 2.04 -1.22 0.19 117.51 123.61 2aj4 h ILE 448 Ca 0.22 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.68 2aj4 h ILE 448 Cb 0.30 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 2aj4 h ILE 448 CO -0.01 0.14 -0.14 0.44 0.00 0.00 0.00 178.15 178.58 2aj4 h ASP 449 N 0.05 -0.45 -0.69 1.72 3.32 -0.19 0.10 116.42 120.29 2aj4 h ASP 449 Ca 0.04 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 2aj4 h ASP 449 Cb 0.17 0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 2aj4 h ASP 449 CO -0.00 -0.18 0.38 0.50 -1.72 0.00 0.00 179.24 178.22 2aj4 h LYS 450 N -0.14 0.96 -0.89 3.56 3.64 0.42 -2.39 116.57 121.72 2aj4 h LYS 450 Ca 0.11 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2aj4 h LYS 450 Cb 0.31 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 2aj4 h LYS 450 CO -0.28 0.71 0.51 0.82 -2.27 0.00 0.00 179.45 178.95 2aj4 h ILE 451 N 0.95 1.25 -0.52 2.00 2.04 -0.05 -2.69 117.51 120.49 2aj4 h ILE 451 Ca 0.24 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 2aj4 h ILE 451 Cb 0.03 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.11 2aj4 h ILE 451 CO -0.04 0.28 0.20 0.00 0.00 0.00 0.00 178.15 178.59 2aj4 h SER 453 N 0.70 -0.19 -0.33 0.00 0.02 -1.21 -0.82 113.55 111.72 2aj4 h SER 453 Ca 0.17 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.17 2aj4 h SER 453 Cb 0.21 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 2aj4 h SER 453 CO -0.01 -0.14 0.09 0.40 -1.14 0.00 0.00 176.83 176.03 2aj4 h ILE 454 N -0.22 0.87 0.02 3.27 2.04 -1.46 -1.79 117.51 120.24 2aj4 h ILE 454 Ca -0.02 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2aj4 h ILE 454 Cb 0.17 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2aj4 h ILE 454 CO 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 178.15 178.20 2aj4 h ALA 455 N 1.23 -0.04 -0.85 1.87 0.00 -1.15 -0.91 119.26 119.42 2aj4 h ALA 455 Ca 0.15 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.13 2aj4 h ALA 455 Cb 0.15 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 2aj4 h ALA 455 CO -0.18 -0.52 0.51 -0.07 0.00 0.00 0.00 179.25 178.99 2aj4 h LEU 456 N -0.05 0.77 -0.63 0.00 3.38 -0.86 0.64 115.31 118.57 2aj4 h LEU 456 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2aj4 h LEU 456 Cb 0.04 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2aj4 h LEU 456 CO -0.00 0.47 0.00 0.28 0.09 0.00 0.00 178.44 179.28 2aj4 h SER 457 N 0.90 0.00 -0.18 -0.43 0.02 -1.07 -3.27 113.55 109.52 2aj4 h SER 457 Ca 0.39 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.31 2aj4 h SER 457 Cb 0.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2aj4 h SER 457 CO -0.20 0.00 -0.03 0.59 -1.14 0.00 0.00 176.83 176.05 2aj4 n ASN 458 N -2.59 3.15 0.00 3.07 3.02 -0.18 -4.93 115.26 116.78 2aj4 n ASN 458 Ca 0.03 -3.17 0.00 0.00 -0.03 0.00 0.00 54.58 51.41 2aj4 n ASN 458 Cb 0.34 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 2aj4 n ASN 458 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aj4 n GLY 459 N -0.91 1.34 3.80 7.41 0.00 -0.98 -3.77 105.19 112.09 2aj4 n GLY 459 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 2aj4 n GLY 459 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2aj4 s SER 460 N -0.67 7.00 -0.16 1.61 0.15 0.04 -4.61 113.70 117.06 2aj4 s SER 460 Ca 0.00 1.81 0.18 0.00 0.70 0.00 0.00 55.95 58.64 2aj4 s SER 460 Cb 0.00 -2.56 -0.25 0.00 -1.71 0.00 0.00 66.02 61.49 2aj4 s SER 460 CO 0.00 -0.31 0.18 -1.22 1.20 0.00 0.00 173.24 173.08 2aj4 n TYR 461 N -0.16 0.10 -3.72 3.44 4.02 -0.49 -4.49 117.16 115.87 2aj4 n TYR 461 Ca 0.05 0.04 -0.12 0.00 -0.01 0.00 0.00 57.90 57.86 2aj4 n TYR 461 Cb 0.52 -0.97 -0.11 0.00 -0.02 0.00 0.00 39.34 38.76 2aj4 n TYR 461 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2aj4 s GLY 462 N -5.35 -0.30 -0.01 2.72 0.00 -1.25 -4.29 107.32 98.84 2aj4 s GLY 462 Ca -0.09 1.26 0.01 0.00 0.00 0.00 0.00 44.72 45.89 2aj4 s GLY 462 CO 0.84 1.25 -0.02 -0.56 0.00 0.00 0.00 173.10 174.61 2aj4 s SER 463 N 0.73 0.30 0.08 1.64 0.01 -1.26 -0.99 113.70 114.21 2aj4 s SER 463 Ca -0.04 -0.04 -0.26 0.00 1.31 0.00 0.00 55.95 56.91 2aj4 s SER 463 Cb -0.05 -0.06 0.08 0.00 0.21 0.00 0.00 66.02 66.20 2aj4 s SER 463 CO -0.05 0.01 0.88 0.00 0.41 0.00 0.00 173.24 174.48 2aj4 s ARG 464 N 0.13 1.05 0.92 12.44 1.70 -0.65 -4.34 118.95 130.20 2aj4 s ARG 464 Ca -0.01 -0.48 -0.12 0.00 -0.47 0.00 0.00 55.73 54.65 2aj4 s ARG 464 Cb -0.03 0.42 0.14 0.00 -0.57 0.00 0.00 34.95 34.91 2aj4 s ARG 464 CO -0.00 -0.47 1.12 -0.48 -1.08 0.00 0.00 175.30 174.38 2aj4 s LEU 465 N -2.70 1.98 0.02 -1.89 0.05 -1.26 -1.06 118.68 113.82 2aj4 s LEU 465 Ca 0.07 1.11 0.02 0.00 0.05 0.00 0.00 54.13 55.38 2aj4 s LEU 465 Cb -0.01 -3.44 -0.01 0.00 -2.05 0.00 0.00 46.19 40.68 2aj4 s LEU 465 CO -0.05 -2.66 -0.06 0.28 -0.55 0.00 0.00 176.35 173.32 2aj4 s THR 466 N -3.15 0.44 0.00 5.48 -1.32 -0.62 -4.65 115.64 111.82 2aj4 s THR 466 Ca 0.64 -0.62 0.00 0.00 -1.21 0.00 0.00 61.69 60.50 2aj4 s THR 466 Cb -0.16 -0.44 0.00 0.00 -1.51 0.00 0.00 72.50 70.39 2aj4 s THR 466 CO 0.55 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 173.43 2aj4 n GLY 467 N 2.24 -1.74 0.28 6.08 0.00 -1.26 -4.22 105.19 106.57 2aj4 n GLY 467 Ca -0.18 -1.46 0.05 0.00 0.00 0.00 0.00 46.02 44.44 2aj4 n GLY 467 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj4 h ALA 468 N 0.00 1.79 0.00 4.61 0.00 -1.94 -3.46 119.26 120.26 2aj4 h ALA 468 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2aj4 h ALA 468 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2aj4 h ALA 468 CO 0.00 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.83 2aj4 n GLY 469 N -1.40 -1.21 2.48 0.00 0.00 -1.26 -4.89 105.19 98.91 2aj4 n GLY 469 Ca 0.00 -1.89 -0.20 0.00 0.00 0.00 0.00 46.02 43.92 2aj4 n GLY 469 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2aj4 n TRP 470 N 0.00 -0.52 0.00 1.61 8.01 0.43 -4.53 117.44 122.43 2aj4 n TRP 470 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 2aj4 n TRP 470 Cb 0.00 -3.67 0.00 0.00 -2.01 0.00 0.00 31.31 25.63 2aj4 n TRP 470 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2aj4 n GLY 471 N -0.69 0.39 7.00 6.99 0.00 -1.26 -4.65 105.19 112.97 2aj4 n GLY 471 Ca -0.22 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.85 2aj4 n GLY 471 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aj4 n GLY 472 N 0.00 0.17 3.98 -0.02 0.00 0.44 -4.93 105.19 104.83 2aj4 n GLY 472 Ca 0.00 -0.97 -0.18 0.00 0.00 0.00 0.00 46.02 44.87 2aj4 n GLY 472 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj4 s THR 474 N -2.28 1.59 0.03 0.00 -4.23 -0.69 -1.59 115.64 108.47 2aj4 s THR 474 Ca 0.49 -1.73 0.08 0.00 -1.18 0.00 0.00 61.69 59.36 2aj4 s THR 474 Cb -0.09 -1.63 -0.03 0.00 1.34 0.00 0.00 72.50 72.10 2aj4 s THR 474 CO 0.31 -0.28 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.18 2aj4 s VAL 475 N -1.83 1.92 -0.04 2.29 1.01 -0.22 -1.13 120.40 122.40 2aj4 s VAL 475 Ca 0.10 -1.25 -0.00 0.00 0.00 0.00 0.00 61.98 60.83 2aj4 s VAL 475 Cb -0.07 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.70 2aj4 s VAL 475 CO 0.05 0.34 0.01 -1.00 0.00 0.00 0.00 175.10 174.50 2aj4 s HIS 476 N -0.75 0.35 -0.49 5.22 0.09 -0.01 -1.63 115.29 118.06 2aj4 s HIS 476 Ca 0.10 0.00 -0.26 0.00 -0.00 0.00 0.00 55.06 54.90 2aj4 s HIS 476 Cb -0.09 -0.49 0.03 0.00 -0.00 0.00 0.00 32.58 32.03 2aj4 s HIS 476 CO 0.01 -0.17 0.97 -1.17 -0.00 0.00 0.00 174.74 174.38 2aj4 s LEU 477 N 1.34 3.95 -0.01 0.89 2.96 -0.16 -0.95 118.68 126.68 2aj4 s LEU 477 Ca -0.05 0.04 0.05 0.00 -0.22 0.00 0.00 54.13 53.95 2aj4 s LEU 477 Cb -0.13 -3.14 -0.01 0.00 0.50 0.00 0.00 46.19 43.40 2aj4 s LEU 477 CO -0.02 -1.15 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.01 2aj4 s VAL 478 N 3.96 1.23 0.03 1.68 1.01 -0.18 -1.39 120.40 126.74 2aj4 s VAL 478 Ca 0.37 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 2aj4 s VAL 478 Cb -0.10 -1.03 -0.07 0.00 0.00 0.00 0.00 36.38 35.18 2aj4 s VAL 478 CO 0.25 0.35 1.62 -2.84 0.00 0.00 0.00 175.10 174.48 2aj4 s PRO 479 N -0.33 4.21 0.57 2.72 0.02 -1.26 -1.62 135.00 139.31 2aj4 s PRO 479 Ca 0.05 2.25 0.09 0.00 0.02 0.00 0.00 61.00 63.41 2aj4 s PRO 479 Cb -0.06 -3.70 0.09 0.00 0.02 0.00 0.00 34.50 30.85 2aj4 s PRO 479 CO -0.00 -0.74 0.72 0.41 -0.33 0.00 0.00 177.00 177.06 2aj4 n GLY 480 N 3.99 2.12 6.59 0.52 0.00 0.17 -0.40 105.19 118.17 2aj4 n GLY 480 Ca 0.16 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.94 2aj4 n GLY 480 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aj4 n GLY 481 N -1.95 -1.94 0.09 -0.02 0.00 -1.26 -2.85 105.19 97.27 2aj4 n GLY 481 Ca 0.13 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 2aj4 n GLY 481 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2aj4 h PRO 482 N 0.00 -0.10 -0.30 1.61 0.13 -1.96 0.12 132.00 131.50 2aj4 h PRO 482 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2aj4 h PRO 482 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 2aj4 h PRO 482 CO 0.00 -0.07 0.00 0.09 -0.23 0.00 0.00 178.00 177.79 2aj4 n ASN 483 N -5.16 0.30 -4.55 1.44 3.02 -1.26 -4.88 115.26 104.16 2aj4 n ASN 483 Ca -0.07 -1.83 -0.24 0.00 -0.03 0.00 0.00 54.58 52.40 2aj4 n ASN 483 Cb 0.09 -0.15 0.13 0.00 -0.61 0.00 0.00 39.78 39.24 2aj4 n ASN 483 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2aj4 s GLY 484 N -0.76 1.75 -0.09 7.41 0.00 0.03 -4.94 107.32 110.73 2aj4 s GLY 484 Ca 0.00 -1.83 0.13 0.00 0.00 0.00 0.00 44.72 43.02 2aj4 s GLY 484 CO 0.00 -1.18 1.12 0.70 0.00 0.00 0.00 173.10 173.74 2aj4 n ASN 485 N -3.00 2.33 0.04 1.64 3.02 0.46 -4.83 115.26 114.90 2aj4 n ASN 485 Ca 0.17 -2.73 -0.10 0.00 -0.03 0.00 0.00 54.58 51.88 2aj4 n ASN 485 Cb 0.61 -0.30 -0.04 0.00 -0.61 0.00 0.00 39.78 39.44 2aj4 n ASN 485 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2aj4 h ILE 486 N 0.12 0.51 -0.93 2.41 2.04 -1.88 -2.34 117.51 117.45 2aj4 h ILE 486 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 2aj4 h ILE 486 Cb 0.86 0.51 -0.07 0.00 -0.74 0.00 0.00 36.82 37.38 2aj4 h ILE 486 CO 0.01 0.00 0.60 -0.33 0.00 0.00 0.00 178.15 178.43 2aj4 h GLU 487 N -0.30 0.90 0.06 2.37 4.39 -1.94 -1.23 114.58 118.83 2aj4 h GLU 487 Ca 0.07 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.73 2aj4 h GLU 487 Cb 0.40 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2aj4 h GLU 487 CO -0.22 0.59 -0.11 -0.22 -1.16 0.00 0.00 179.01 177.89 2aj4 h LYS 488 N 0.93 -0.21 0.09 2.33 3.64 -1.77 -1.03 116.57 120.55 2aj4 h LYS 488 Ca 0.44 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.83 2aj4 h LYS 488 Cb 0.42 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2aj4 h LYS 488 CO -0.20 -0.14 -0.04 0.28 -2.27 0.00 0.00 179.45 177.08 2aj4 h VAL 489 N -0.22 0.94 -0.39 2.00 2.07 -0.90 -2.33 116.25 117.43 2aj4 h VAL 489 Ca 0.02 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 67.53 2aj4 h VAL 489 Cb 0.24 0.99 -0.09 0.00 -1.52 0.00 0.00 31.29 30.91 2aj4 h VAL 489 CO -0.07 0.02 -0.39 0.11 0.02 0.00 0.00 177.57 177.26 2aj4 h LYS 490 N -0.16 -0.30 -0.04 1.57 1.57 -1.11 0.91 116.57 119.01 2aj4 h LYS 490 Ca -0.01 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2aj4 h LYS 490 Cb 0.13 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 2aj4 h LYS 490 CO 0.02 -0.20 -0.21 1.49 -0.57 0.00 0.00 179.45 179.99 2aj4 h GLU 491 N -0.31 -0.30 -0.82 3.15 4.57 -1.12 0.30 114.58 120.05 2aj4 h GLU 491 Ca 0.15 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.39 2aj4 h GLU 491 Cb 0.57 0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 29.17 2aj4 h GLU 491 CO -0.55 -0.20 0.52 0.00 -1.18 0.00 0.00 179.01 177.60 2aj4 h ALA 492 N 0.61 1.10 -0.28 2.92 0.00 -0.85 -0.22 119.26 122.53 2aj4 h ALA 492 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2aj4 h ALA 492 Cb 0.41 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2aj4 h ALA 492 CO -0.22 0.31 0.14 -0.07 0.00 0.00 0.00 179.25 179.41 2aj4 h LEU 493 N 0.98 0.37 -0.25 0.00 3.38 -0.35 0.50 115.31 119.94 2aj4 h LEU 493 Ca 0.34 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.25 2aj4 h LEU 493 Cb 0.07 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2aj4 h LEU 493 CO -0.14 0.37 -0.01 0.00 0.09 0.00 0.00 178.44 178.75 2aj4 h ALA 494 N 1.01 0.21 -0.02 1.53 0.00 -0.15 0.83 119.26 122.67 2aj4 h ALA 494 Ca 0.10 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2aj4 h ALA 494 Cb 0.10 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2aj4 h ALA 494 CO -0.01 -0.43 -0.23 -0.91 0.00 0.00 0.00 179.25 177.67 2aj4 h ASN 495 N 0.06 0.23 1.79 0.00 -0.26 -0.87 -1.26 115.58 115.27 2aj4 h ASN 495 Ca 0.12 -0.72 0.00 0.00 -0.56 0.00 0.00 56.30 55.14 2aj4 h ASN 495 Cb 0.16 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 2aj4 h ASN 495 CO -0.21 0.92 -0.08 -0.33 -1.06 0.00 0.00 177.43 176.67 2aj4 h GLU 496 N -0.44 0.00 0.00 0.81 5.08 0.01 -3.38 114.58 116.67 2aj4 h GLU 496 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2aj4 h GLU 496 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2aj4 h GLU 496 CO 0.05 0.00 -0.02 0.34 -1.00 0.00 0.00 179.01 178.37 2aj4 n PHE 497 N -2.85 0.00 0.15 4.33 7.35 0.27 -4.68 117.46 122.02 2aj4 n PHE 497 Ca 0.04 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.60 2aj4 n PHE 497 Cb 0.51 -0.01 -0.06 0.00 0.35 0.00 0.00 39.48 40.26 2aj4 n PHE 497 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 2aj4 h TYR 498 N -0.02 -0.65 0.00 -5.13 -1.99 -1.58 0.83 116.97 108.42 2aj4 h TYR 498 Ca 0.00 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 2aj4 h TYR 498 Cb 0.02 0.26 -0.00 0.00 2.00 0.00 0.00 36.73 39.01 2aj4 h TYR 498 CO -0.01 -0.36 -0.02 0.87 -0.00 0.00 0.00 178.16 178.64 2aj4 h LYS 499 N -0.50 0.00 0.00 4.88 1.57 -1.43 1.34 116.57 122.43 2aj4 h LYS 499 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2aj4 h LYS 499 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 2aj4 h LYS 499 CO -0.08 0.02 -0.34 0.28 -0.57 0.00 0.00 179.45 178.76 2aj4 h VAL 500 N 0.00 0.36 -0.12 0.50 2.07 -1.57 -3.19 116.25 114.30 2aj4 h VAL 500 Ca -0.00 -1.33 -0.14 0.00 0.82 0.00 0.00 66.70 66.05 2aj4 h VAL 500 Cb 0.05 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2aj4 h VAL 500 CO 0.00 0.12 -0.52 0.50 0.02 0.00 0.00 177.57 177.70 2aj4 h LYS 501 N -1.00 0.32 -2.17 1.57 3.64 0.78 -3.35 116.57 116.36 2aj4 h LYS 501 Ca -0.04 -0.19 -0.59 0.00 -1.27 0.00 0.00 60.65 58.56 2aj4 h LYS 501 Cb 0.48 0.02 -0.41 0.00 -0.41 0.00 0.00 32.23 31.90 2aj4 h LYS 501 CO -0.03 0.76 -0.70 0.66 -2.27 0.00 0.00 179.45 177.88 2aj4 n TYR 502 N -3.95 2.97 -0.30 1.91 4.02 0.46 -4.92 117.16 117.35 2aj4 n TYR 502 Ca -0.02 -4.03 0.24 0.00 -0.01 0.00 0.00 57.90 54.07 2aj4 n TYR 502 Cb 0.56 -0.51 0.55 0.00 -0.02 0.00 0.00 39.34 39.92 2aj4 n TYR 502 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2aj4 h PRO 503 N 3.96 0.32 0.00 -0.72 0.13 -1.65 0.84 132.00 134.88 2aj4 h PRO 503 Ca 0.17 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2aj4 h PRO 503 Cb 0.68 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2aj4 h PRO 503 CO 0.77 0.21 0.00 1.63 -0.23 0.00 0.00 178.00 180.38 2aj4 n LYS 504 N -4.53 0.23 -1.69 0.86 5.02 -1.26 -4.85 118.16 111.94 2aj4 n LYS 504 Ca 0.24 0.05 -0.43 0.00 -2.02 0.00 0.00 58.31 56.15 2aj4 n LYS 504 Cb 0.89 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.39 2aj4 n LYS 504 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 2aj4 n ILE 505 N -1.36 1.54 -3.74 -0.18 3.06 0.29 -4.99 119.36 113.98 2aj4 n ILE 505 Ca 0.10 -0.39 -0.26 0.00 -2.50 0.00 0.00 62.75 59.70 2aj4 n ILE 505 Cb 0.24 -1.54 -0.03 0.00 0.54 0.00 0.00 39.64 38.84 2aj4 n ILE 505 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 2aj4 s THR 506 N -0.63 5.22 0.48 9.51 -4.23 -1.26 -4.94 115.64 119.79 2aj4 s THR 506 Ca 0.61 -0.50 0.17 0.00 -1.18 0.00 0.00 61.69 60.79 2aj4 s THR 506 Cb -0.60 -3.76 0.34 0.00 1.34 0.00 0.00 72.50 69.82 2aj4 s THR 506 CO 0.57 -0.21 2.02 0.44 -0.54 0.00 0.00 174.62 176.89 2aj4 h ASP 507 N 1.83 0.20 0.12 3.99 3.32 -1.98 0.52 116.42 124.43 2aj4 h ASP 507 Ca -0.49 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 2aj4 h ASP 507 Cb 1.20 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2aj4 h ASP 507 CO 0.67 0.12 -0.06 0.00 -1.72 0.00 0.00 179.24 178.25 2aj4 h ALA 508 N 1.76 -0.16 -0.44 3.45 0.00 -1.98 0.28 119.26 122.17 2aj4 h ALA 508 Ca 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2aj4 h ALA 508 Cb 0.57 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2aj4 h ALA 508 CO -0.04 -0.44 0.26 0.93 0.00 0.00 0.00 179.25 179.96 2aj4 h GLU 509 N -0.46 0.61 -0.18 0.00 5.08 -1.49 -0.26 114.58 117.88 2aj4 h GLU 509 Ca -0.02 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2aj4 h GLU 509 Cb 0.37 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 2aj4 h GLU 509 CO 0.03 0.46 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.24 2aj4 h LEU 510 N 0.58 -0.59 -1.32 1.33 3.38 0.08 0.26 115.31 119.03 2aj4 h LEU 510 Ca 0.16 0.11 0.16 0.00 0.09 0.00 0.00 57.88 58.40 2aj4 h LEU 510 Cb 0.01 0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 2aj4 h LEU 510 CO -0.03 -0.23 0.58 -0.33 0.09 0.00 0.00 178.44 178.52 2aj4 h GLU 511 N -0.21 0.61 0.00 1.13 5.08 0.22 0.78 114.58 122.18 2aj4 h GLU 511 Ca 0.12 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2aj4 h GLU 511 Cb 0.38 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2aj4 h GLU 511 CO -0.31 0.40 0.00 -0.91 -1.00 0.00 0.00 179.01 177.20 2aj4 h ASN 512 N 0.63 0.00 1.42 1.42 2.35 0.10 -3.25 115.58 118.24 2aj4 h ASN 512 Ca 0.46 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 56.11 2aj4 h ASN 512 Cb 0.84 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.19 2aj4 h ASN 512 CO -0.21 0.00 -0.60 0.00 -1.65 0.00 0.00 177.43 174.97 2aj4 h ALA 513 N 2.38 0.69 -3.10 -0.83 0.00 0.37 -3.44 119.26 115.33 2aj4 h ALA 513 Ca 0.00 -0.46 -0.67 0.00 0.00 0.00 0.00 54.91 53.78 2aj4 h ALA 513 Cb 0.68 -0.03 -0.34 0.00 0.00 0.00 0.00 17.79 18.09 2aj4 h ALA 513 CO 0.00 0.60 -0.86 0.42 0.00 0.00 0.00 179.25 179.42 2aj4 s ILE 514 N -2.98 2.11 -0.00 0.00 1.01 -1.03 -0.14 121.20 120.17 2aj4 s ILE 514 Ca 0.03 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.78 2aj4 s ILE 514 Cb 0.08 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.66 2aj4 s ILE 514 CO 0.75 0.54 -0.11 -0.63 0.00 0.00 0.00 174.94 175.49 2aj4 s ILE 515 N 1.16 0.83 -0.22 2.92 1.01 0.57 -4.84 121.20 122.62 2aj4 s ILE 515 Ca 0.02 -0.48 -0.14 0.00 0.00 0.00 0.00 60.65 60.04 2aj4 s ILE 515 Cb -0.14 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 2aj4 s ILE 515 CO -0.09 0.21 0.33 -0.69 0.00 0.00 0.00 174.94 174.70 2aj4 s VAL 516 N -0.29 5.24 -0.01 2.92 1.01 -1.26 0.51 120.40 128.51 2aj4 s VAL 516 Ca 0.04 0.55 -0.02 0.00 0.00 0.00 0.00 61.98 62.54 2aj4 s VAL 516 Cb -0.04 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2aj4 s VAL 516 CO -0.00 0.26 0.15 -0.94 0.00 0.00 0.00 175.10 174.57 2aj4 s SER 517 N 1.15 6.18 -0.02 3.32 1.04 -0.38 -4.96 113.70 120.03 2aj4 s SER 517 Ca 0.15 0.30 0.06 0.00 0.48 0.00 0.00 55.95 56.94 2aj4 s SER 517 Cb -0.15 -1.90 -0.01 0.00 0.10 0.00 0.00 66.02 64.06 2aj4 s SER 517 CO 0.07 0.27 -0.19 -0.54 0.98 0.00 0.00 173.24 173.84 2aj4 s LYS 518 N -1.85 1.60 0.20 4.02 -0.14 -1.26 -4.51 119.74 117.80 2aj4 s LYS 518 Ca 0.26 -0.67 -0.32 0.00 -1.36 0.00 0.00 55.97 53.88 2aj4 s LYS 518 Cb -0.12 -1.51 -0.11 0.00 -1.68 0.00 0.00 37.83 34.40 2aj4 s LYS 518 CO 0.17 0.38 1.64 -2.14 -0.76 0.00 0.00 175.35 174.63 2aj4 s PRO 519 N -0.36 4.16 0.43 -1.68 0.02 -1.26 -4.31 135.00 132.01 2aj4 s PRO 519 Ca 0.05 2.50 0.08 0.00 0.02 0.00 0.00 61.00 63.65 2aj4 s PRO 519 Cb -0.08 -3.10 -0.00 0.00 0.02 0.00 0.00 34.50 31.33 2aj4 s PRO 519 CO -0.00 -0.67 0.45 0.00 -0.33 0.00 0.00 177.00 176.45 2aj4 s ALA 520 N 0.98 4.23 0.34 -1.55 0.00 0.12 -1.49 121.76 124.39 2aj4 s ALA 520 Ca 0.71 -1.81 -0.24 0.00 0.00 0.00 0.00 51.96 50.62 2aj4 s ALA 520 Cb -0.47 -1.16 -0.10 0.00 0.00 0.00 0.00 23.12 21.39 2aj4 s ALA 520 CO 0.34 -0.29 0.92 -1.17 0.00 0.00 0.00 175.76 175.56 2aj4 s LEU 521 N -4.22 4.23 0.00 0.00 2.96 -1.26 -1.88 118.68 118.50 2aj4 s LEU 521 Ca 0.50 1.74 0.00 0.00 -0.22 0.00 0.00 54.13 56.14 2aj4 s LEU 521 Cb -0.05 -4.11 0.00 0.00 0.50 0.00 0.00 46.19 42.53 2aj4 s LEU 521 CO 0.29 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.80 2aj4 n GLY 522 N 0.24 -0.31 3.46 7.98 0.00 0.72 -4.62 105.19 112.65 2aj4 n GLY 522 Ca 0.03 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 2aj4 n GLY 522 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2aj4 n SER 523 N 0.00 -0.80 -3.78 1.61 7.64 1.00 -4.68 113.62 114.61 2aj4 n SER 523 Ca 0.00 0.93 -0.04 0.00 1.01 0.00 0.00 58.87 60.77 2aj4 n SER 523 Cb 0.00 -1.11 -0.02 0.00 -1.01 0.00 0.00 64.21 62.07 2aj4 n SER 523 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aj4 s LEU 525 N -2.94 2.13 -0.15 0.00 1.43 -0.29 -0.95 118.68 117.92 2aj4 s LEU 525 Ca 0.12 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 2aj4 s LEU 525 Cb -0.02 -0.74 0.02 0.00 0.03 0.00 0.00 46.19 45.47 2aj4 s LEU 525 CO 0.03 0.11 -0.16 -0.47 0.23 0.00 0.00 176.35 176.10 2aj4 s TYR 526 N -0.70 2.26 -0.08 0.29 5.04 0.07 0.15 117.35 124.38 2aj4 s TYR 526 Ca 0.04 -1.26 -0.05 0.00 -2.44 0.00 0.00 57.07 53.36 2aj4 s TYR 526 Cb -0.08 -1.64 -0.04 0.00 0.35 0.00 0.00 41.96 40.56 2aj4 s TYR 526 CO 0.01 -0.67 0.15 -1.21 -1.34 0.00 0.00 175.55 172.49 2aj4 s GLU 527 N 1.37 3.42 0.00 4.97 2.02 0.22 -0.37 118.70 130.33 2aj4 s GLU 527 Ca 0.03 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.82 2aj4 s GLU 527 Cb -0.13 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 30.95 2aj4 s GLU 527 CO -0.10 0.74 0.42 1.28 0.02 0.00 0.00 175.26 177.63