#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 4.14 -0.31 2.52 -5.25 -1.26 -1.50 121.20 119.54 2aj4 s ILE 10 Ca 0.00 -1.49 -0.29 0.00 -0.99 0.00 0.00 60.65 57.88 2aj4 s ILE 10 Cb 0.00 -3.28 0.01 0.00 2.95 0.00 0.00 42.46 42.14 2aj4 s ILE 10 CO 0.00 -0.33 1.19 -0.69 -1.79 0.00 0.00 174.94 173.32 2aj4 s VAL 11 N -2.19 4.32 -0.10 8.37 1.01 0.10 -4.56 120.40 127.34 2aj4 s VAL 11 Ca 0.34 1.51 -0.35 0.00 0.00 0.00 0.00 61.98 63.48 2aj4 s VAL 11 Cb -0.07 -4.29 -0.12 0.00 0.00 0.00 0.00 36.38 31.90 2aj4 s VAL 11 CO 0.24 -0.48 1.85 -0.81 0.00 0.00 0.00 175.10 175.91 2aj4 n PRO 12 N 7.09 2.05 -3.70 2.72 -0.04 -1.26 -4.76 135.00 137.10 2aj4 n PRO 12 Ca 0.13 0.75 -0.36 0.00 -0.04 0.00 0.00 63.50 63.99 2aj4 n PRO 12 Cb 0.47 -2.57 -0.07 0.00 -0.04 0.00 0.00 33.50 31.28 2aj4 n PRO 12 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2aj4 s GLU 13 N 3.90 4.08 0.26 0.54 2.02 -1.26 -0.20 118.70 128.04 2aj4 s GLU 13 Ca 0.93 -0.11 0.12 0.00 0.02 0.00 0.00 54.97 55.93 2aj4 s GLU 13 Cb -0.74 -3.38 -0.05 0.00 0.10 0.00 0.00 34.13 30.06 2aj4 s GLU 13 CO 0.53 0.37 -0.21 -0.06 0.02 0.00 0.00 175.26 175.91 2aj4 s PHE 14 N 0.13 2.28 0.31 1.61 0.40 0.47 -4.90 117.98 118.29 2aj4 s PHE 14 Ca 0.12 -0.34 0.04 0.00 -0.60 0.00 0.00 56.93 56.15 2aj4 s PHE 14 Cb -0.12 -1.01 -0.03 0.00 0.51 0.00 0.00 43.02 42.37 2aj4 s PHE 14 CO 0.01 0.67 0.19 1.21 0.70 0.00 0.00 175.22 178.00 2aj4 s ASN 15 N -3.35 1.59 0.00 1.36 3.04 -1.26 0.10 114.94 116.43 2aj4 s ASN 15 Ca 0.28 -1.62 0.17 0.00 0.04 0.00 0.00 52.86 51.74 2aj4 s ASN 15 Cb -0.05 0.45 0.31 0.00 -1.54 0.00 0.00 41.25 40.42 2aj4 s ASN 15 CO 0.14 -0.94 1.23 -1.54 -3.04 0.00 0.00 177.10 172.95 2aj4 n SER 16 N -1.10 2.97 -0.49 -4.21 3.41 -1.26 -4.91 113.62 108.04 2aj4 n SER 16 Ca 0.02 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 2aj4 n SER 16 Cb 0.64 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2aj4 n SER 16 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2aj4 n SER 17 N 1.06 0.66 -3.43 4.04 3.41 -1.26 -5.09 113.62 113.01 2aj4 n SER 17 Ca 0.14 -1.35 -0.31 0.00 -0.26 0.00 0.00 58.87 57.10 2aj4 n SER 17 Cb 0.49 -0.33 0.02 0.00 -0.26 0.00 0.00 64.21 64.13 2aj4 n SER 17 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2aj4 n GLU 20 N 0.14 -1.60 -3.30 4.33 1.02 -1.26 -5.25 120.64 114.72 2aj4 n GLU 20 Ca 0.00 1.03 -0.37 0.00 -0.02 0.00 0.00 57.16 57.81 2aj4 n GLU 20 Cb 0.16 -1.87 -0.06 0.00 -0.02 0.00 0.00 31.44 29.66 2aj4 n GLU 20 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2aj4 s LEU 21 N -3.19 4.41 0.04 -4.62 2.96 -1.26 -5.04 118.68 111.98 2aj4 s LEU 21 Ca 0.21 1.18 -0.30 0.00 -0.22 0.00 0.00 54.13 55.00 2aj4 s LEU 21 Cb -0.02 -3.17 -0.06 0.00 0.50 0.00 0.00 46.19 43.43 2aj4 s LEU 21 CO 0.80 0.16 1.40 -2.84 -1.32 0.00 0.00 176.35 174.55 2aj4 s PRO 22 N -1.66 4.30 0.00 0.98 0.02 -1.26 -4.75 135.00 132.63 2aj4 s PRO 22 Ca 0.35 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.38 2aj4 s PRO 22 Cb -0.17 -3.48 0.00 0.00 0.02 0.00 0.00 34.50 30.88 2aj4 s PRO 22 CO 0.19 -0.53 0.35 -2.13 -0.33 0.00 0.00 177.00 174.55 2aj4 n ARG 23 N 4.93 0.00 -0.20 5.54 0.63 -1.26 -0.42 116.66 125.89 2aj4 n ARG 23 Ca 0.13 0.35 0.02 0.00 -0.92 0.00 0.00 57.85 57.42 2aj4 n ARG 23 Cb 0.43 -0.65 0.05 0.00 0.45 0.00 0.00 32.46 32.74 2aj4 n ARG 23 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2aj4 n PRO 24 N -1.13 -0.08 0.35 -0.14 -0.02 -1.26 0.17 135.00 132.89 2aj4 n PRO 24 Ca 0.00 0.84 -0.18 0.00 -2.02 0.00 0.00 63.50 62.13 2aj4 n PRO 24 Cb 0.00 -1.24 -0.09 0.00 -0.02 0.00 0.00 33.50 32.15 2aj4 n PRO 24 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2aj4 h LEU 25 N 0.00 -1.11 -0.93 2.45 3.38 -1.11 0.80 115.31 118.79 2aj4 h LEU 25 Ca 0.23 0.07 0.22 0.00 0.09 0.00 0.00 57.88 58.48 2aj4 h LEU 25 Cb 0.36 0.34 -0.12 0.00 0.09 0.00 0.00 40.66 41.33 2aj4 h LEU 25 CO -0.55 -0.64 0.47 0.00 0.09 0.00 0.00 178.44 177.81 2aj4 h ALA 26 N -0.78 1.53 0.11 1.53 0.00 0.44 -1.60 119.26 120.48 2aj4 h ALA 26 Ca -0.08 0.14 -0.28 0.00 0.00 0.00 0.00 54.91 54.69 2aj4 h ALA 26 Cb 0.83 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2aj4 h ALA 26 CO 0.05 -0.28 -1.33 0.93 0.00 0.00 0.00 179.25 178.62 2aj4 h GLU 27 N 0.50 0.23 0.00 0.00 5.08 0.71 -3.40 114.58 117.69 2aj4 h GLU 27 Ca 0.57 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2aj4 h GLU 27 Cb 1.05 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2aj4 h GLU 27 CO -0.49 1.14 -1.77 1.63 -1.00 0.00 0.00 179.01 178.53 2aj4 n LYS 28 N -3.47 0.57 0.18 2.33 5.02 0.27 -4.67 118.16 118.39 2aj4 n LYS 28 Ca -0.11 -0.15 -0.15 0.00 -2.02 0.00 0.00 58.31 55.88 2aj4 n LYS 28 Cb 1.02 -1.42 -0.08 0.00 -0.02 0.00 0.00 35.03 34.54 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 -0.74 -0.16 -0.89 0.00 0.11 -1.82 0.11 132.00 128.62 2aj4 h PRO 30 Ca -0.01 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.12 2aj4 h PRO 30 Cb 0.71 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.81 2aj4 h PRO 30 CO -0.16 -0.11 0.58 1.03 -0.21 0.00 0.00 178.00 179.13 2aj4 h SER 31 N -0.16 1.03 1.30 -2.05 0.87 -1.81 -1.58 113.55 111.15 2aj4 h SER 31 Ca 0.21 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 2aj4 h SER 31 Cb 0.56 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2aj4 h SER 31 CO -0.75 0.75 -0.18 -0.29 -0.53 0.00 0.00 176.83 175.82 2aj4 h ILE 32 N 1.21 0.37 -0.30 2.23 2.10 -0.60 -2.70 117.51 119.82 2aj4 h ILE 32 Ca 0.32 -1.18 -0.03 0.00 1.08 0.00 0.00 64.86 65.05 2aj4 h ILE 32 Cb -0.13 1.90 -0.01 0.00 -1.09 0.00 0.00 36.82 37.48 2aj4 h ILE 32 CO -0.07 0.18 0.07 0.40 -1.08 0.00 0.00 178.15 177.65 2aj4 h ILE 33 N 0.00 1.22 -0.64 2.19 2.04 0.14 -1.00 117.51 121.46 2aj4 h ILE 33 Ca -0.00 -0.74 -0.06 0.00 1.00 0.00 0.00 64.86 65.06 2aj4 h ILE 33 Cb 0.88 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 2aj4 h ILE 33 CO 0.02 0.24 0.15 0.11 0.00 0.00 0.00 178.15 178.68 2aj4 h LYS 34 N 0.32 1.00 -0.62 2.37 1.57 -1.39 -2.26 116.57 117.57 2aj4 h LYS 34 Ca 0.09 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 2aj4 h LYS 34 Cb 0.30 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2aj4 h LYS 34 CO 0.00 0.89 0.31 0.87 -0.57 0.00 0.00 179.45 180.95 2aj4 h LYS 35 N 0.96 0.88 -0.47 3.15 1.57 -1.15 0.50 116.57 122.00 2aj4 h LYS 35 Ca 0.20 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2aj4 h LYS 35 Cb 0.34 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2aj4 h LYS 35 CO 0.00 0.69 0.22 0.35 -0.57 0.00 0.00 179.45 180.15 2aj4 h PHE 36 N 0.84 0.69 -0.49 -1.35 3.57 -0.92 0.27 116.94 119.56 2aj4 h PHE 36 Ca 0.21 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 2aj4 h PHE 36 Cb 0.09 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 2aj4 h PHE 36 CO -0.00 0.55 0.29 0.82 -2.23 0.00 0.00 178.31 177.74 2aj4 h ILE 37 N 0.62 1.16 -0.50 1.41 2.04 -1.14 2.44 117.51 123.53 2aj4 h ILE 37 Ca 0.16 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 2aj4 h ILE 37 Cb 0.13 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2aj4 h ILE 37 CO -0.02 0.16 0.20 0.28 0.00 0.00 0.00 178.15 178.77 2aj4 h SER 38 N 0.66 0.65 0.29 1.72 0.02 -0.56 2.12 113.55 118.44 2aj4 h SER 38 Ca 0.18 -0.07 -0.34 0.00 -0.84 0.00 0.00 61.79 60.72 2aj4 h SER 38 Cb 0.01 -0.17 0.04 0.00 0.14 0.00 0.00 62.40 62.42 2aj4 h SER 38 CO -0.03 0.59 -1.48 0.00 -1.14 0.00 0.00 176.83 174.77 2aj4 h ALA 39 N 1.51 -0.15 -0.01 3.77 0.00 0.57 -3.39 119.26 121.56 2aj4 h ALA 39 Ca 0.17 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2aj4 h ALA 39 Cb 0.14 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2aj4 h ALA 39 CO -0.02 0.71 -0.08 0.66 0.00 0.00 0.00 179.25 180.53 2aj4 n TYR 40 N -3.71 0.00 -3.60 0.00 4.02 0.81 -5.00 117.16 109.68 2aj4 n TYR 40 Ca -0.16 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.49 2aj4 n TYR 40 Cb 1.10 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 40.50 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 0.15 -5.08 -3.63 7.72 2.03 0.72 -4.94 116.55 113.52 2aj4 n ASP 41 Ca 0.04 -0.60 -0.03 0.00 0.52 0.00 0.00 54.79 54.73 2aj4 n ASP 41 Cb 0.20 -4.89 -0.04 0.00 -0.72 0.00 0.00 41.12 35.68 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 -3.34 -2.10 0.45 -1.67 0.00 -1.23 -5.07 121.76 108.80 2aj4 s ALA 42 Ca 0.45 1.83 -0.18 0.00 0.00 0.00 0.00 51.96 54.06 2aj4 s ALA 42 Cb -0.20 -1.16 -0.09 0.00 0.00 0.00 0.00 23.12 21.67 2aj4 s ALA 42 CO 0.74 -0.32 0.93 -1.59 0.00 0.00 0.00 175.76 175.52 2aj4 s LYS 43 N -1.28 4.05 0.64 0.00 -2.85 -1.26 -3.66 119.74 115.38 2aj4 s LYS 43 Ca 0.08 0.95 -0.09 0.00 -1.00 0.00 0.00 55.97 55.91 2aj4 s LYS 43 Cb -0.01 -2.21 0.01 0.00 -2.06 0.00 0.00 37.83 33.56 2aj4 s LYS 43 CO -0.06 -0.11 1.00 -1.25 0.10 0.00 0.00 175.35 175.03 2aj4 s PRO 44 N -3.58 2.92 -0.06 1.78 0.04 -1.26 -4.87 135.00 129.96 2aj4 s PRO 44 Ca 0.59 0.24 -0.00 0.00 0.04 0.00 0.00 61.00 61.87 2aj4 s PRO 44 Cb -0.10 -2.15 -0.26 0.00 0.04 0.00 0.00 34.50 32.04 2aj4 s PRO 44 CO 0.23 -0.85 0.58 -0.44 0.04 0.00 0.00 177.00 176.56 2aj4 h ASP 45 N -0.40 0.29 -5.11 6.66 3.32 0.24 -3.44 116.42 117.97 2aj4 h ASP 45 Ca -0.45 -0.57 -0.02 0.00 0.02 0.00 0.00 57.03 56.01 2aj4 h ASP 45 Cb 1.25 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.66 2aj4 h ASP 45 CO 0.62 1.50 0.12 0.72 -1.72 0.00 0.00 179.24 180.48 2aj4 s PHE 46 N -2.59 0.17 -0.09 4.55 -0.12 -1.17 -2.18 117.98 116.56 2aj4 s PHE 46 Ca -0.14 -0.65 -0.01 0.00 -0.05 0.00 0.00 56.93 56.09 2aj4 s PHE 46 Cb 0.07 0.55 0.03 0.00 -0.63 0.00 0.00 43.02 43.03 2aj4 s PHE 46 CO 0.81 -1.28 -0.04 0.08 -0.05 0.00 0.00 175.22 174.74 2aj4 s VAL 47 N -3.35 0.72 -0.12 -2.49 1.01 0.46 -0.93 120.40 115.70 2aj4 s VAL 47 Ca 0.17 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.91 2aj4 s VAL 47 Cb -0.04 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 2aj4 s VAL 47 CO 0.10 0.31 0.26 0.00 0.00 0.00 0.00 175.10 175.78 2aj4 s ALA 48 N 1.69 3.69 0.09 5.51 0.00 -0.54 -1.58 121.76 130.61 2aj4 s ALA 48 Ca 0.03 -0.47 0.06 0.00 0.00 0.00 0.00 51.96 51.57 2aj4 s ALA 48 Cb -0.13 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 2aj4 s ALA 48 CO -0.06 0.29 -0.15 0.50 0.00 0.00 0.00 175.76 176.35 2aj4 s ARG 49 N -0.18 0.91 -0.27 0.00 3.52 -0.57 0.37 118.95 122.73 2aj4 s ARG 49 Ca 0.17 -1.06 -0.18 0.00 -0.13 0.00 0.00 55.73 54.53 2aj4 s ARG 49 Cb -0.13 -0.90 0.08 0.00 -1.56 0.00 0.00 34.95 32.43 2aj4 s ARG 49 CO 0.05 0.19 0.68 0.45 -0.81 0.00 0.00 175.30 175.86 2aj4 s SER 50 N -1.96 -0.86 0.64 -2.12 0.15 -1.02 -1.85 113.70 106.68 2aj4 s SER 50 Ca 0.02 1.45 -0.03 0.00 0.70 0.00 0.00 55.95 58.09 2aj4 s SER 50 Cb -0.08 1.36 0.05 0.00 -1.71 0.00 0.00 66.02 65.64 2aj4 s SER 50 CO 0.03 -0.24 0.92 -2.16 1.20 0.00 0.00 173.24 172.98 2aj4 s PRO 51 N 1.27 2.35 0.55 5.44 0.04 -1.26 -1.44 135.00 141.95 2aj4 s PRO 51 Ca -0.07 -0.46 -0.04 0.00 0.04 0.00 0.00 61.00 60.47 2aj4 s PRO 51 Cb -0.05 -2.30 0.12 0.00 0.04 0.00 0.00 34.50 32.31 2aj4 s PRO 51 CO -0.14 -1.02 0.75 0.41 0.04 0.00 0.00 177.00 177.05 2aj4 n GLY 52 N -2.68 -0.08 3.25 0.56 0.00 0.60 -4.06 105.19 102.77 2aj4 n GLY 52 Ca 0.08 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 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 -4.48 0.97 -0.03 1.61 1.04 -0.40 -1.90 118.95 115.76 2aj4 s ARG 53 Ca 0.47 -1.09 0.03 0.00 -1.04 0.00 0.00 55.73 54.09 2aj4 s ARG 53 Cb -0.02 0.34 0.00 0.00 -2.04 0.00 0.00 34.95 33.23 2aj4 s ARG 53 CO 0.32 -0.32 -0.11 0.08 -0.04 0.00 0.00 175.30 175.22 2aj4 s VAL 54 N -3.92 0.98 -0.28 4.99 1.01 0.13 -4.59 120.40 118.71 2aj4 s VAL 54 Ca 0.11 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 2aj4 s VAL 54 Cb 0.05 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 2aj4 s VAL 54 CO -0.06 0.30 0.10 0.21 0.00 0.00 0.00 175.10 175.65 2aj4 s ASN 55 N 0.16 5.28 0.08 3.32 2.47 -1.26 0.19 114.94 125.18 2aj4 s ASN 55 Ca -0.04 -0.44 -0.16 0.00 0.42 0.00 0.00 52.86 52.64 2aj4 s ASN 55 Cb -0.10 -1.94 -0.11 0.00 -1.45 0.00 0.00 41.25 37.65 2aj4 s ASN 55 CO 0.01 -0.13 1.38 -0.07 -3.72 0.00 0.00 177.10 174.57 2aj4 h LEU 56 N 8.28 0.66 -7.00 3.21 3.38 0.34 -3.45 115.31 120.73 2aj4 h LEU 56 Ca -0.34 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.08 2aj4 h LEU 56 Cb 1.15 -0.19 -0.19 0.00 0.09 0.00 0.00 40.66 41.53 2aj4 h LEU 56 CO 0.60 1.02 0.21 -0.51 0.09 0.00 0.00 178.44 179.84 2aj4 s ILE 57 N -4.27 0.00 0.00 1.22 2.07 -1.24 -4.94 121.20 114.04 2aj4 s ILE 57 Ca -0.13 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.11 2aj4 s ILE 57 Cb 0.08 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.67 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 0.88 0.69 3.74 1.50 0.00 -1.26 -1.90 105.19 108.84 2aj4 n GLY 58 Ca -0.19 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.27 4.52 -1.39 1.61 2.56 -1.26 -4.27 118.70 120.20 2aj4 s GLU 59 Ca 0.00 1.11 -0.05 0.00 0.00 0.00 0.00 54.97 56.02 2aj4 s GLU 59 Cb 0.00 -3.36 0.03 0.00 2.00 0.00 0.00 34.13 32.80 2aj4 s GLU 59 CO 0.00 0.28 0.80 0.72 -0.56 0.00 0.00 175.26 176.51 2aj4 n HIS 60 N 2.77 -2.07 -0.19 5.30 8.25 -1.26 -4.85 115.22 123.18 2aj4 n HIS 60 Ca -0.02 0.87 0.00 0.00 -0.26 0.00 0.00 57.72 58.31 2aj4 n HIS 60 Cb 0.50 -4.25 0.00 0.00 1.12 0.00 0.00 29.99 27.36 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 -4.44 0.00 -0.23 1.59 -5.35 -1.26 -4.79 119.36 104.88 2aj4 n ILE 61 Ca -0.17 -0.14 -0.05 0.00 -0.27 0.00 0.00 62.75 62.12 2aj4 n ILE 61 Cb 0.62 1.19 0.11 0.00 -1.74 0.00 0.00 39.64 39.82 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 0.99 0.00 7.28 2.03 -1.83 0.15 116.42 125.04 2aj4 h ASP 62 Ca 0.00 -0.16 0.00 0.00 -0.73 0.00 0.00 57.03 56.14 2aj4 h ASP 62 Cb 0.09 -0.26 0.00 0.00 -0.83 0.00 0.00 39.33 38.34 2aj4 h ASP 62 CO 0.00 0.90 0.00 0.00 -1.03 0.00 0.00 179.24 179.11 2aj4 n TYR 63 N -4.27 0.00 0.05 4.15 0.18 -1.26 -1.64 117.16 114.36 2aj4 n TYR 63 Ca 0.06 0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.90 2aj4 n TYR 63 Cb 0.20 0.00 0.13 0.00 -0.38 0.00 0.00 39.34 39.29 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 0.63 -3.91 -4.88 0.00 8.00 -0.65 -3.78 116.55 111.95 2aj4 n ASP 65 Ca 0.11 0.19 -0.33 0.00 0.71 0.00 0.00 54.79 55.47 2aj4 n ASP 65 Cb 0.39 -2.21 -0.05 0.00 -0.02 0.00 0.00 41.12 39.23 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 -2.31 3.49 0.60 1.24 0.40 -0.96 -4.17 117.98 116.28 2aj4 s PHE 66 Ca 0.00 0.72 -0.16 0.00 -0.60 0.00 0.00 56.93 56.89 2aj4 s PHE 66 Cb 0.00 -2.13 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 2aj4 s PHE 66 CO 0.00 0.41 1.07 -1.12 0.70 0.00 0.00 175.22 176.28 2aj4 s SER 67 N -2.21 5.70 0.27 1.36 0.01 -1.26 -4.14 113.70 113.43 2aj4 s SER 67 Ca 0.41 1.86 0.02 0.00 1.31 0.00 0.00 55.95 59.54 2aj4 s SER 67 Cb -0.12 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 2aj4 s SER 67 CO 0.22 -1.22 0.09 0.68 0.41 0.00 0.00 173.24 173.42 2aj4 s VAL 68 N -2.40 0.64 -0.61 3.43 -7.23 -0.16 -4.89 120.40 109.18 2aj4 s VAL 68 Ca 0.64 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.87 2aj4 s VAL 68 Cb -0.17 -2.66 0.22 0.00 0.56 0.00 0.00 36.38 34.34 2aj4 s VAL 68 CO 0.37 0.00 0.61 -0.11 -0.31 0.00 0.00 175.10 175.66 2aj4 n LEU 69 N -0.50 2.72 -4.95 1.32 7.94 -0.80 -1.64 117.00 121.09 2aj4 n LEU 69 Ca -0.00 -5.19 -0.24 0.00 -1.11 0.00 0.00 56.01 49.47 2aj4 n LEU 69 Cb 0.66 -0.42 0.04 0.00 0.53 0.00 0.00 43.42 44.24 2aj4 n LEU 69 CO 0.38 1.96 0.44 -2.16 -1.11 0.00 0.00 177.39 176.90 2aj4 s PRO 70 N -1.81 2.64 -0.08 1.96 0.04 -1.20 0.10 135.00 136.65 2aj4 s PRO 70 Ca 0.34 -0.44 -0.03 0.00 0.04 0.00 0.00 61.00 60.91 2aj4 s PRO 70 Cb 0.09 -2.38 0.04 0.00 0.04 0.00 0.00 34.50 32.29 2aj4 s PRO 70 CO -0.09 -0.75 0.17 -1.17 0.04 0.00 0.00 177.00 175.20 2aj4 s LEU 71 N -4.89 0.55 0.35 -3.56 2.96 0.49 -1.97 118.68 112.62 2aj4 s LEU 71 Ca 0.55 0.35 -0.26 0.00 -0.22 0.00 0.00 54.13 54.55 2aj4 s LEU 71 Cb -0.10 0.42 -0.09 0.00 0.50 0.00 0.00 46.19 46.91 2aj4 s LEU 71 CO 0.41 -0.17 1.04 0.00 -1.32 0.00 0.00 176.35 176.32 2aj4 s ALA 72 N 1.35 3.19 0.50 5.97 0.00 -1.26 0.18 121.76 131.69 2aj4 s ALA 72 Ca -0.08 0.72 0.01 0.00 0.00 0.00 0.00 51.96 52.62 2aj4 s ALA 72 Cb -0.11 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 2aj4 s ALA 72 CO -0.06 -0.14 0.02 0.96 0.00 0.00 0.00 175.76 176.54 2aj4 s ILE 73 N -1.51 1.08 -1.68 0.00 -4.36 -0.80 -0.90 121.20 113.03 2aj4 s ILE 73 Ca 0.53 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.92 2aj4 s ILE 73 Cb -0.24 -2.18 0.00 0.00 1.25 0.00 0.00 42.46 41.29 2aj4 s ILE 73 CO 0.31 0.00 0.76 -0.67 0.24 0.00 0.00 174.94 175.58 2aj4 n ASP 74 N -1.28 0.29 -4.53 4.36 -0.08 -1.26 -4.29 116.55 109.75 2aj4 n ASP 74 Ca -0.18 -1.82 -0.33 0.00 -1.51 0.00 0.00 54.79 50.95 2aj4 n ASP 74 Cb 0.67 -0.15 -0.12 0.00 2.34 0.00 0.00 41.12 43.86 2aj4 n ASP 74 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2aj4 s PHE 75 N -1.68 2.83 0.17 -0.67 0.40 -1.26 -5.03 117.98 112.74 2aj4 s PHE 75 Ca 0.00 -0.06 -0.01 0.00 -0.60 0.00 0.00 56.93 56.26 2aj4 s PHE 75 Cb 0.00 -1.66 0.00 0.00 0.51 0.00 0.00 43.02 41.87 2aj4 s PHE 75 CO 0.00 0.27 0.24 -0.40 0.70 0.00 0.00 175.22 176.03 2aj4 n ASP 76 N 2.21 -0.68 -3.97 1.36 3.85 -1.26 -0.29 116.55 117.77 2aj4 n ASP 76 Ca -0.17 -1.92 -0.22 0.00 -0.71 0.00 0.00 54.79 51.76 2aj4 n ASP 76 Cb 0.53 1.26 -0.16 0.00 -1.35 0.00 0.00 41.12 41.39 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 -2.38 1.29 0.02 0.11 -2.45 -0.52 0.90 119.30 116.26 2aj4 s MET 77 Ca 0.14 -0.29 0.06 0.00 -1.25 0.00 0.00 55.69 54.36 2aj4 s MET 77 Cb -0.01 -1.13 -0.03 0.00 1.25 0.00 0.00 34.83 34.91 2aj4 s MET 77 CO 0.10 0.00 -0.18 -0.51 1.05 0.00 0.00 175.02 175.48 2aj4 s LEU 78 N 0.69 2.59 -0.36 4.11 1.43 0.74 -2.44 118.68 125.43 2aj4 s LEU 78 Ca -0.12 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 2aj4 s LEU 78 Cb -0.14 -1.51 0.11 0.00 0.03 0.00 0.00 46.19 44.67 2aj4 s LEU 78 CO 0.02 0.28 0.12 0.00 0.23 0.00 0.00 176.35 177.00 2aj4 s ALA 80 N 1.01 3.42 0.20 0.00 0.00 -0.31 -1.47 121.76 124.60 2aj4 s ALA 80 Ca 0.12 0.30 0.11 0.00 0.00 0.00 0.00 51.96 52.49 2aj4 s ALA 80 Cb -0.20 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 2aj4 s ALA 80 CO -0.13 -0.58 -0.21 0.08 0.00 0.00 0.00 175.76 174.92 2aj4 s VAL 81 N 1.96 2.54 -0.12 0.00 1.01 -0.10 -1.50 120.40 124.19 2aj4 s VAL 81 Ca 0.46 -2.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.41 2aj4 s VAL 81 Cb -0.18 -2.24 0.04 0.00 0.00 0.00 0.00 36.38 34.00 2aj4 s VAL 81 CO 0.17 -0.15 0.04 -0.75 0.00 0.00 0.00 175.10 174.42 2aj4 s LYS 82 N -2.80 0.34 -0.13 2.72 2.20 -0.30 0.94 119.74 122.71 2aj4 s LYS 82 Ca 0.23 -0.02 -0.29 0.00 -0.36 0.00 0.00 55.97 55.53 2aj4 s LYS 82 Cb -0.08 -1.39 -0.01 0.00 -1.51 0.00 0.00 37.83 34.85 2aj4 s LYS 82 CO 0.11 -0.49 1.00 0.08 -0.36 0.00 0.00 175.35 175.70 2aj4 s VAL 83 N 2.03 4.78 0.36 4.02 1.01 -1.26 0.05 120.40 131.38 2aj4 s VAL 83 Ca 0.03 2.02 0.07 0.00 0.00 0.00 0.00 61.98 64.10 2aj4 s VAL 83 Cb -0.14 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 2aj4 s VAL 83 CO -0.06 -0.02 0.38 -0.76 0.00 0.00 0.00 175.10 174.63 2aj4 s LEU 84 N 2.19 3.64 -0.56 3.92 1.43 -0.30 -4.99 118.68 124.00 2aj4 s LEU 84 Ca 0.47 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 53.13 2aj4 s LEU 84 Cb -0.18 -2.34 0.15 0.00 0.03 0.00 0.00 46.19 43.86 2aj4 s LEU 84 CO 0.16 -0.48 0.36 0.21 0.23 0.00 0.00 176.35 176.83 2aj4 s ASN 85 N -4.10 4.02 0.27 2.29 2.47 -1.26 -3.97 114.94 114.66 2aj4 s ASN 85 Ca 0.45 -3.28 0.09 0.00 0.42 0.00 0.00 52.86 50.54 2aj4 s ASN 85 Cb -0.06 -1.35 -0.04 0.00 -1.45 0.00 0.00 41.25 38.34 2aj4 s ASN 85 CO 0.28 -0.17 0.06 -1.61 -3.72 0.00 0.00 177.10 171.94 2aj4 s GLU 86 N -0.58 2.47 -0.02 0.43 2.02 -1.26 -5.01 118.70 116.74 2aj4 s GLU 86 Ca 0.22 -1.33 -0.11 0.00 0.02 0.00 0.00 54.97 53.77 2aj4 s GLU 86 Cb -0.13 -2.27 -0.06 0.00 0.10 0.00 0.00 34.13 31.77 2aj4 s GLU 86 CO -0.09 0.36 0.58 -0.22 0.02 0.00 0.00 175.26 175.91 2aj4 h LYS 87 N 1.76 -0.39 -3.72 1.61 3.64 -2.03 -3.37 116.57 114.08 2aj4 h LYS 87 Ca -0.45 0.03 -0.76 0.00 -1.27 0.00 0.00 60.65 58.19 2aj4 h LYS 87 Cb 1.25 0.09 -0.29 0.00 -0.41 0.00 0.00 32.23 32.86 2aj4 h LYS 87 CO 0.61 -0.26 -0.03 -0.80 -2.27 0.00 0.00 179.45 176.69 2aj4 s ASN 88 N -4.22 6.29 0.74 4.20 0.01 -1.26 -5.05 114.94 115.65 2aj4 s ASN 88 Ca -0.06 -2.83 -0.15 0.00 -0.71 0.00 0.00 52.86 49.11 2aj4 s ASN 88 Cb 0.01 -2.09 0.01 0.00 0.41 0.00 0.00 41.25 39.58 2aj4 s ASN 88 CO 0.18 -0.48 0.86 -0.81 -1.51 0.00 0.00 177.10 175.33 2aj4 n PRO 89 N 3.69 0.38 -3.64 -0.60 -0.04 -1.26 -4.94 135.00 128.59 2aj4 n PRO 89 Ca 0.13 0.18 -0.10 0.00 -0.04 0.00 0.00 63.50 63.67 2aj4 n PRO 89 Cb 0.43 -2.13 -0.03 0.00 -0.04 0.00 0.00 33.50 31.74 2aj4 n PRO 89 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2aj4 s SER 90 N -1.67 -0.39 -0.09 3.54 1.04 -1.26 -3.17 113.70 111.70 2aj4 s SER 90 Ca 0.70 -0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.86 2aj4 s SER 90 Cb -0.33 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.41 2aj4 s SER 90 CO 0.53 -1.09 -0.19 -0.63 0.98 0.00 0.00 173.24 172.85 2aj4 s ILE 91 N -3.83 1.64 -0.14 -1.02 1.01 0.28 -0.73 121.20 118.41 2aj4 s ILE 91 Ca 0.06 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.94 2aj4 s ILE 91 Cb -0.02 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 2aj4 s ILE 91 CO -0.05 0.47 -0.14 -0.89 0.00 0.00 0.00 174.94 174.32 2aj4 s THR 92 N 0.51 2.86 -0.18 2.92 2.01 -0.86 -0.78 115.64 122.13 2aj4 s THR 92 Ca -0.17 -0.72 -0.00 0.00 0.31 0.00 0.00 61.69 61.11 2aj4 s THR 92 Cb -0.17 -2.20 0.00 0.00 0.01 0.00 0.00 72.50 70.15 2aj4 s THR 92 CO 0.06 0.52 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.61 2aj4 s LEU 93 N 0.51 2.44 -0.05 4.42 1.43 0.18 -1.32 118.68 126.29 2aj4 s LEU 93 Ca -0.10 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.52 2aj4 s LEU 93 Cb -0.16 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.50 2aj4 s LEU 93 CO 0.04 0.04 -0.13 -0.63 0.23 0.00 0.00 176.35 175.90 2aj4 s ILE 94 N 1.10 1.15 0.02 -0.59 1.01 -0.41 -0.95 121.20 122.52 2aj4 s ILE 94 Ca 0.00 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.20 2aj4 s ILE 94 Cb -0.14 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.28 2aj4 s ILE 94 CO -0.05 0.35 -0.21 0.21 0.00 0.00 0.00 174.94 175.24 2aj4 s ASN 95 N 0.38 3.56 0.28 3.58 3.84 -1.26 0.76 114.94 126.08 2aj4 s ASN 95 Ca -0.09 -0.44 -0.01 0.00 0.21 0.00 0.00 52.86 52.53 2aj4 s ASN 95 Cb -0.13 -0.52 0.41 0.00 -0.55 0.00 0.00 41.25 40.46 2aj4 s ASN 95 CO 0.03 0.28 1.84 0.00 -2.79 0.00 0.00 177.10 176.46 2aj4 h ALA 96 N 4.88 1.24 -2.41 1.71 0.00 -0.56 -3.42 119.26 120.70 2aj4 h ALA 96 Ca -0.46 -0.19 -0.54 0.00 0.00 0.00 0.00 54.91 53.71 2aj4 h ALA 96 Cb 1.15 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2aj4 h ALA 96 CO 0.47 0.53 0.60 0.34 0.00 0.00 0.00 179.25 181.20 2aj4 s ASP 97 N -6.57 7.09 0.35 0.00 3.68 -1.26 -4.93 116.67 115.03 2aj4 s ASP 97 Ca -0.10 1.91 0.05 0.00 2.13 0.00 0.00 52.55 56.54 2aj4 s ASP 97 Cb 0.16 -2.57 0.65 0.00 -1.45 0.00 0.00 42.92 39.71 2aj4 s ASP 97 CO 0.80 -0.50 1.91 1.55 0.13 0.00 0.00 175.17 179.05 2aj4 h PRO 98 N 7.08 0.52 -1.18 4.34 0.13 -2.02 -2.47 132.00 138.40 2aj4 h PRO 98 Ca -0.39 -0.10 0.45 0.00 -0.87 0.00 0.00 66.00 65.09 2aj4 h PRO 98 Cb 1.19 -0.08 -0.16 0.00 0.13 0.00 0.00 31.00 32.08 2aj4 h PRO 98 CO 0.83 0.52 0.71 1.63 -0.23 0.00 0.00 178.00 181.46 2aj4 n LYS 99 N -4.31 -0.05 -3.57 0.86 5.02 -1.26 -3.71 118.16 111.14 2aj4 n LYS 99 Ca 0.02 1.31 -0.41 0.00 -2.02 0.00 0.00 58.31 57.21 2aj4 n LYS 99 Cb 0.21 -2.46 -0.11 0.00 -0.02 0.00 0.00 35.03 32.65 2aj4 n LYS 99 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2aj4 s PHE 100 N -5.38 3.26 0.43 2.13 0.40 -0.93 -5.06 117.98 112.82 2aj4 s PHE 100 Ca -0.08 -1.00 -0.17 0.00 -0.60 0.00 0.00 56.93 55.08 2aj4 s PHE 100 Cb 0.32 -2.56 -0.09 0.00 0.51 0.00 0.00 43.02 41.20 2aj4 s PHE 100 CO 0.80 -0.68 0.89 0.00 0.70 0.00 0.00 175.22 176.92 2aj4 s ALA 101 N 1.56 3.16 0.11 5.36 0.00 -1.24 -4.30 121.76 126.40 2aj4 s ALA 101 Ca 0.02 0.16 -0.36 0.00 0.00 0.00 0.00 51.96 51.79 2aj4 s ALA 101 Cb -0.20 -2.99 -0.16 0.00 0.00 0.00 0.00 23.12 19.77 2aj4 s ALA 101 CO 0.06 0.04 1.38 0.94 0.00 0.00 0.00 175.76 178.19 2aj4 n GLN 102 N -0.97 1.39 -4.34 0.00 7.27 -1.26 -4.88 117.38 114.58 2aj4 n GLN 102 Ca 0.05 0.50 -0.22 0.00 0.07 0.00 0.00 57.00 57.40 2aj4 n GLN 102 Cb 0.54 -2.16 -0.11 0.00 2.41 0.00 0.00 30.24 30.91 2aj4 n GLN 102 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2aj4 s ARG 103 N 0.50 1.30 -0.29 3.69 1.81 -0.12 -4.98 118.95 120.87 2aj4 s ARG 103 Ca 0.82 -1.42 -0.15 0.00 -1.72 0.00 0.00 55.73 53.25 2aj4 s ARG 103 Cb -0.88 -1.38 0.12 0.00 -0.45 0.00 0.00 34.95 32.36 2aj4 s ARG 103 CO 0.45 0.28 0.84 0.21 -0.68 0.00 0.00 175.30 176.41 2aj4 s LYS 104 N -2.79 0.51 0.14 3.54 2.20 -1.25 0.47 119.74 122.56 2aj4 s LYS 104 Ca 0.16 0.94 -0.14 0.00 -0.36 0.00 0.00 55.97 56.58 2aj4 s LYS 104 Cb -0.06 0.19 0.02 0.00 -1.51 0.00 0.00 37.83 36.47 2aj4 s LYS 104 CO 0.07 -0.12 0.37 -0.59 -0.36 0.00 0.00 175.35 174.72 2aj4 s PHE 105 N 1.67 0.00 0.25 4.03 -0.12 0.04 -4.96 117.98 118.90 2aj4 s PHE 105 Ca -0.09 -0.36 -0.11 0.00 -0.05 0.00 0.00 56.93 56.33 2aj4 s PHE 105 Cb -0.05 0.17 -0.08 0.00 -0.63 0.00 0.00 43.02 42.43 2aj4 s PHE 105 CO -0.17 -0.73 0.59 -0.51 -0.05 0.00 0.00 175.22 174.35 2aj4 s ASP 106 N -2.86 6.66 -0.24 1.98 1.01 -1.26 0.10 116.67 122.06 2aj4 s ASP 106 Ca 0.08 1.00 -0.09 0.00 0.71 0.00 0.00 52.55 54.25 2aj4 s ASP 106 Cb 0.02 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 2aj4 s ASP 106 CO -0.07 -0.11 0.11 -0.76 0.21 0.00 0.00 175.17 174.55 2aj4 s LEU 107 N -2.87 3.80 0.16 1.23 1.43 -1.19 -4.89 118.68 116.35 2aj4 s LEU 107 Ca 0.49 -0.02 -0.34 0.00 -1.03 0.00 0.00 54.13 53.23 2aj4 s LEU 107 Cb -0.11 -2.01 -0.14 0.00 0.03 0.00 0.00 46.19 43.95 2aj4 s LEU 107 CO 0.20 0.04 1.51 -0.81 0.23 0.00 0.00 176.35 177.52 2aj4 n PRO 108 N 4.45 1.97 -0.00 1.29 -0.04 -1.26 -4.75 135.00 136.65 2aj4 n PRO 108 Ca -0.16 0.71 -0.09 0.00 -0.04 0.00 0.00 63.50 63.92 2aj4 n PRO 108 Cb 0.52 -2.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.51 2aj4 n PRO 108 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2aj4 h LEU 109 N 5.43 -0.42 0.00 1.53 3.38 -1.94 -2.09 115.31 121.19 2aj4 h LEU 109 Ca -0.45 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2aj4 h LEU 109 Cb 1.27 0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2aj4 h LEU 109 CO 0.85 -0.18 0.00 -0.90 0.09 0.00 0.00 178.44 178.30 2aj4 n ASP 110 N -5.28 0.00 -0.47 -0.43 5.68 -1.26 -2.84 116.55 111.95 2aj4 n ASP 110 Ca -0.03 -0.09 -0.05 0.00 -0.50 0.00 0.00 54.79 54.12 2aj4 n ASP 110 Cb 0.20 -0.03 -0.01 0.00 -1.14 0.00 0.00 41.12 40.14 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 -0.77 0.50 3.92 6.12 0.00 -0.79 -3.75 105.19 110.43 2aj4 n GLY 111 Ca 0.03 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.87 4.45 0.16 1.61 1.04 -1.26 -4.80 113.70 112.03 2aj4 s SER 112 Ca 0.00 0.51 -0.22 0.00 0.48 0.00 0.00 55.95 56.72 2aj4 s SER 112 Cb 0.00 -1.01 -0.08 0.00 0.10 0.00 0.00 66.02 65.04 2aj4 s SER 112 CO 0.00 -1.88 0.70 -0.31 0.98 0.00 0.00 173.24 172.74 2aj4 s TYR 113 N -3.45 3.81 0.52 5.02 1.51 -1.26 -4.53 117.35 118.97 2aj4 s TYR 113 Ca 0.63 1.47 -0.20 0.00 -1.01 0.00 0.00 57.07 57.95 2aj4 s TYR 113 Cb -0.10 -2.65 -0.07 0.00 -0.11 0.00 0.00 41.96 39.04 2aj4 s TYR 113 CO 0.47 0.49 1.12 0.14 -1.11 0.00 0.00 175.55 176.66 2aj4 s VAL 114 N -1.24 3.26 0.09 0.71 -7.23 -1.26 -4.97 120.40 109.76 2aj4 s VAL 114 Ca 0.36 0.81 -0.28 0.00 -1.81 0.00 0.00 61.98 61.05 2aj4 s VAL 114 Cb -0.20 -3.34 -0.06 0.00 0.56 0.00 0.00 36.38 33.34 2aj4 s VAL 114 CO 0.23 -0.15 0.90 0.42 -0.31 0.00 0.00 175.10 176.19 2aj4 s THR 115 N -1.77 4.56 -0.13 5.32 -4.23 -1.26 -5.01 115.64 113.12 2aj4 s THR 115 Ca 0.70 1.94 -0.00 0.00 -1.18 0.00 0.00 61.69 63.15 2aj4 s THR 115 Cb -0.23 -4.26 -0.01 0.00 1.34 0.00 0.00 72.50 69.33 2aj4 s THR 115 CO 0.27 0.34 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.92 2aj4 s ILE 116 N -0.05 3.01 -0.23 2.99 1.01 -1.26 -5.10 121.20 121.56 2aj4 s ILE 116 Ca 0.44 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 60.43 2aj4 s ILE 116 Cb -0.23 -2.26 0.04 0.00 0.01 0.00 0.00 42.46 40.02 2aj4 s ILE 116 CO 0.28 0.52 -0.13 -0.62 0.00 0.00 0.00 174.94 174.99 2aj4 s ASP 117 N 0.39 3.97 0.26 3.58 2.15 -1.26 -4.96 116.67 120.79 2aj4 s ASP 117 Ca -0.11 -1.07 0.05 0.00 0.43 0.00 0.00 52.55 51.85 2aj4 s ASP 117 Cb -0.16 -1.54 0.33 0.00 -0.30 0.00 0.00 42.92 41.24 2aj4 s ASP 117 CO 0.05 -0.12 1.62 1.55 -0.17 0.00 0.00 175.17 178.10 2aj4 h PRO 118 N 7.86 0.27 -0.67 4.34 0.13 -1.87 -3.30 132.00 138.76 2aj4 h PRO 118 Ca -0.30 -0.16 0.15 0.00 -0.87 0.00 0.00 66.00 64.82 2aj4 h PRO 118 Cb 1.08 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.10 2aj4 h PRO 118 CO 0.54 0.72 -0.12 -1.13 -0.23 0.00 0.00 178.00 177.78 2aj4 n SER 119 N -3.95 -0.20 -4.84 1.44 3.41 -1.26 -4.09 113.62 104.14 2aj4 n SER 119 Ca -0.02 1.15 -0.33 0.00 -0.26 0.00 0.00 58.87 59.41 2aj4 n SER 119 Cb 0.55 -0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 64.08 2aj4 n SER 119 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2aj4 s VAL 120 N -5.78 5.00 -0.49 -3.33 1.01 -1.24 -5.07 120.40 110.49 2aj4 s VAL 120 Ca -0.10 -0.38 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 2aj4 s VAL 120 Cb 0.18 -3.34 0.08 0.00 0.00 0.00 0.00 36.38 33.31 2aj4 s VAL 120 CO 0.52 0.29 0.47 -0.55 0.00 0.00 0.00 175.10 175.83 2aj4 s SER 121 N -1.97 6.17 -0.01 3.32 0.15 -1.26 -4.95 113.70 115.15 2aj4 s SER 121 Ca 0.26 -1.31 0.01 0.00 0.70 0.00 0.00 55.95 55.62 2aj4 s SER 121 Cb -0.12 -2.21 -0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2aj4 s SER 121 CO 0.18 -0.74 -0.04 -0.62 1.20 0.00 0.00 173.24 173.22 2aj4 s ASP 122 N 2.79 0.55 0.46 5.45 -1.08 -1.26 -5.06 116.67 118.52 2aj4 s ASP 122 Ca 0.06 -0.08 0.17 0.00 -0.52 0.00 0.00 52.55 52.18 2aj4 s ASP 122 Cb -0.24 -0.08 1.14 0.00 -1.46 0.00 0.00 42.92 42.28 2aj4 s ASP 122 CO 0.07 0.05 2.00 4.11 0.52 0.00 0.00 175.17 181.92 2aj4 h TRP 123 N 6.12 0.29 0.00 -5.34 5.08 -1.96 0.07 115.95 120.21 2aj4 h TRP 123 Ca -0.29 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 59.68 2aj4 h TRP 123 Cb 1.19 -0.09 -0.00 0.00 -3.00 0.00 0.00 29.16 27.25 2aj4 h TRP 123 CO 0.41 0.14 -0.06 0.66 -1.28 0.00 0.00 178.44 178.31 2aj4 h SER 124 N 0.27 0.00 -0.21 0.11 4.64 -1.97 -1.40 113.55 115.00 2aj4 h SER 124 Ca 0.24 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.48 2aj4 h SER 124 Cb 0.59 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 2aj4 h SER 124 CO -0.05 0.06 -0.14 0.78 -0.87 0.00 0.00 176.83 176.61 2aj4 h ASN 125 N 0.00 0.59 -0.06 4.97 2.35 -1.37 0.20 115.58 122.27 2aj4 h ASN 125 Ca -0.00 -0.17 -0.17 0.00 -0.55 0.00 0.00 56.30 55.41 2aj4 h ASN 125 Cb 0.22 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 2aj4 h ASN 125 CO 0.01 0.76 -0.56 1.88 -1.65 0.00 0.00 177.43 177.86 2aj4 h TYR 126 N 0.55 0.82 -0.07 1.19 0.05 -1.36 -2.24 116.97 115.91 2aj4 h TYR 126 Ca 0.10 -0.29 0.01 0.00 0.05 0.00 0.00 58.73 58.60 2aj4 h TYR 126 Cb 0.56 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 2aj4 h TYR 126 CO 0.02 1.06 -0.02 0.35 -1.05 0.00 0.00 178.16 178.52 2aj4 h PHE 127 N 0.50 -0.05 -0.69 4.88 3.04 -0.99 -1.33 116.94 122.30 2aj4 h PHE 127 Ca 0.01 0.01 0.18 0.00 3.98 0.00 0.00 57.97 62.15 2aj4 h PHE 127 Cb 1.13 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.64 2aj4 h PHE 127 CO 0.05 -0.04 0.48 0.87 -2.02 0.00 0.00 178.31 177.66 2aj4 h LYS 128 N -0.01 0.10 0.17 1.11 1.57 -0.42 -0.65 116.57 118.43 2aj4 h LYS 128 Ca 0.03 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2aj4 h LYS 128 Cb 0.06 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2aj4 h LYS 128 CO -0.07 0.06 -0.08 0.00 -0.57 0.00 0.00 179.45 178.79 2aj4 h GLY 130 N -0.30 1.18 0.75 0.00 0.00 -0.95 -2.32 103.07 101.43 2aj4 h GLY 130 Ca -0.02 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 2aj4 h GLY 130 CO 0.04 0.48 -0.38 -2.00 0.00 0.00 0.00 176.54 174.67 2aj4 h LEU 131 N 1.12 -0.92 -0.79 3.11 5.85 -0.48 -1.00 115.31 122.20 2aj4 h LEU 131 Ca 0.29 0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.16 2aj4 h LEU 131 Cb -0.03 0.25 -0.13 0.00 0.37 0.00 0.00 40.66 41.11 2aj4 h LEU 131 CO -0.05 -0.63 -0.42 -0.74 -0.34 0.00 0.00 178.44 176.25 2aj4 h HIS 132 N -1.03 -1.24 0.43 1.25 2.76 0.70 0.42 115.15 118.44 2aj4 h HIS 132 Ca -0.10 0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 2aj4 h HIS 132 Cb 0.80 0.66 -0.02 0.00 1.55 0.00 0.00 27.41 30.40 2aj4 h HIS 132 CO 0.02 -0.40 -0.41 0.28 -1.30 0.00 0.00 177.93 176.12 2aj4 h VAL 133 N -0.10 0.00 -0.78 5.26 2.07 -1.40 -0.31 116.25 120.99 2aj4 h VAL 133 Ca 0.25 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.94 2aj4 h VAL 133 Cb 0.55 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.21 2aj4 h VAL 133 CO -0.83 0.00 0.21 0.00 0.02 0.00 0.00 177.57 176.96 2aj4 h ALA 134 N -1.09 1.05 -0.11 1.67 0.00 -0.26 -1.14 119.26 119.38 2aj4 h ALA 134 Ca -0.06 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2aj4 h ALA 134 Cb 0.72 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 2aj4 h ALA 134 CO -0.04 -0.35 -0.37 1.25 0.00 0.00 0.00 179.25 179.74 2aj4 h HIS 135 N 0.28 -1.04 -0.31 0.00 2.76 0.24 -0.36 115.15 116.73 2aj4 h HIS 135 Ca 0.45 0.04 0.07 0.00 -2.20 0.00 0.00 60.37 58.73 2aj4 h HIS 135 Cb 0.80 0.47 -0.08 0.00 1.55 0.00 0.00 27.41 30.15 2aj4 h HIS 135 CO -0.25 -0.44 -0.29 0.77 -1.30 0.00 0.00 177.93 176.41 2aj4 h SER 136 N -0.46 -0.96 0.09 3.26 0.02 0.19 -0.47 113.55 115.22 2aj4 h SER 136 Ca 0.08 0.17 0.02 0.00 -0.84 0.00 0.00 61.79 61.22 2aj4 h SER 136 Cb 0.59 0.45 -0.03 0.00 0.14 0.00 0.00 62.40 63.54 2aj4 h SER 136 CO -0.36 -0.31 -0.24 0.15 -1.14 0.00 0.00 176.83 174.93 2aj4 h PHE 137 N -0.27 -0.63 -0.58 3.45 3.57 -1.11 -2.50 116.94 118.87 2aj4 h PHE 137 Ca 0.15 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.77 2aj4 h PHE 137 Cb 0.51 0.27 -0.08 0.00 2.79 0.00 0.00 35.95 39.44 2aj4 h PHE 137 CO -0.47 -0.33 0.14 -0.07 -2.23 0.00 0.00 178.31 175.35 2aj4 h LEU 138 N -0.42 0.05 -1.80 0.59 3.38 -0.58 0.13 115.31 116.67 2aj4 h LEU 138 Ca 0.04 0.10 0.24 0.00 0.09 0.00 0.00 57.88 58.34 2aj4 h LEU 138 Cb 0.46 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 2aj4 h LEU 138 CO -0.15 0.04 0.62 0.11 0.09 0.00 0.00 178.44 179.14 2aj4 h LYS 139 N 0.28 0.16 0.32 1.13 1.57 -0.66 -0.66 116.57 118.70 2aj4 h LYS 139 Ca 0.30 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 2aj4 h LYS 139 Cb 0.42 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2aj4 h LYS 139 CO -0.36 0.10 -0.15 0.87 -0.57 0.00 0.00 179.45 179.34 2aj4 h LYS 140 N 0.16 -0.41 0.00 3.15 1.57 -0.50 -2.51 116.57 118.03 2aj4 h LYS 140 Ca 0.44 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 2aj4 h LYS 140 Cb 1.48 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.89 2aj4 h LYS 140 CO -0.08 -0.14 0.00 1.28 -0.57 0.00 0.00 179.45 179.94 2aj4 n LEU 141 N -5.07 0.00 -3.10 2.94 4.77 -0.37 -3.70 117.00 112.47 2aj4 n LEU 141 Ca -0.07 0.96 -0.34 0.00 -0.03 0.00 0.00 56.01 56.53 2aj4 n LEU 141 Cb 0.24 -0.46 -0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2aj4 n LEU 141 CO 0.21 -0.46 0.79 0.00 -1.33 0.00 0.00 177.39 176.60 2aj4 n ALA 142 N -2.50 5.48 -0.37 -1.18 0.00 -0.50 -4.85 120.51 116.58 2aj4 n ALA 142 Ca 0.00 -4.53 0.31 0.00 0.00 0.00 0.00 53.44 49.22 2aj4 n ALA 142 Cb 0.00 -1.37 0.57 0.00 0.00 0.00 0.00 19.45 18.65 2aj4 n ALA 142 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2aj4 h PRO 143 N 3.33 0.16 0.00 0.00 0.14 -1.52 0.45 132.00 134.56 2aj4 h PRO 143 Ca 0.36 -0.01 0.00 0.00 0.14 0.00 0.00 66.00 66.49 2aj4 h PRO 143 Cb 0.44 -0.04 0.00 0.00 0.14 0.00 0.00 31.00 31.54 2aj4 h PRO 143 CO 1.03 0.10 0.00 -0.85 0.14 0.00 0.00 178.00 178.43 2aj4 n GLU 144 N -4.93 0.00 -0.15 0.86 0.28 -1.26 -0.23 120.64 115.21 2aj4 n GLU 144 Ca 0.35 0.72 0.11 0.00 -0.16 0.00 0.00 57.16 58.18 2aj4 n GLU 144 Cb 1.22 -1.49 0.44 0.00 1.43 0.00 0.00 31.44 33.04 2aj4 n GLU 144 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 2aj4 h ARG 145 N 0.00 0.54 0.00 3.44 2.43 -1.06 -3.35 114.38 116.38 2aj4 h ARG 145 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2aj4 h ARG 145 Cb 0.00 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2aj4 h ARG 145 CO 0.00 0.36 -1.19 1.19 -1.51 0.00 0.00 179.97 178.82 2aj4 n PHE 146 N -4.49 0.00 -0.26 2.20 3.01 0.13 -4.53 117.46 113.52 2aj4 n PHE 146 Ca 0.12 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.63 2aj4 n PHE 146 Cb 0.37 -0.15 0.19 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 0.73 1.07 0.00 4.37 0.00 -0.74 -3.21 119.26 121.49 2aj4 h ALA 147 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2aj4 h ALA 147 Cb 0.32 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2aj4 h ALA 147 CO 0.00 -0.19 0.00 -1.13 0.00 0.00 0.00 179.25 177.93 2aj4 n SER 148 N -4.99 1.75 -4.43 0.00 3.41 -1.26 -4.75 113.62 103.36 2aj4 n SER 148 Ca 0.14 -1.77 -0.22 0.00 -0.26 0.00 0.00 58.87 56.76 2aj4 n SER 148 Cb 0.41 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.26 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 -0.77 2.46 0.85 7.33 0.00 -1.21 -3.82 121.76 126.60 2aj4 s ALA 149 Ca 0.00 -1.82 -0.12 0.00 0.00 0.00 0.00 51.96 50.02 2aj4 s ALA 149 Cb 0.00 -0.14 0.10 0.00 0.00 0.00 0.00 23.12 23.08 2aj4 s ALA 149 CO 0.00 0.16 1.15 -1.25 0.00 0.00 0.00 175.76 175.82 2aj4 s PRO 150 N -3.58 1.62 0.67 0.00 0.05 -1.13 -3.76 135.00 128.86 2aj4 s PRO 150 Ca 0.27 0.25 -0.02 0.00 0.05 0.00 0.00 61.00 61.55 2aj4 s PRO 150 Cb -0.02 -1.90 0.14 0.00 0.05 0.00 0.00 34.50 32.77 2aj4 s PRO 150 CO 0.12 -1.86 0.92 1.28 0.05 0.00 0.00 177.00 177.50 2aj4 n LEU 151 N -3.53 0.00 -4.77 -3.56 4.77 -1.26 -4.96 117.00 103.70 2aj4 n LEU 151 Ca 0.07 -1.75 -0.39 0.00 -0.03 0.00 0.00 56.01 53.92 2aj4 n LEU 151 Cb 0.60 -0.61 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 2aj4 n LEU 151 CO 0.57 -0.99 0.78 0.00 -1.33 0.00 0.00 177.39 176.43 2aj4 s ALA 152 N -3.26 3.24 0.59 -1.18 0.00 -1.26 -4.83 121.76 115.06 2aj4 s ALA 152 Ca 0.59 0.85 -0.17 0.00 0.00 0.00 0.00 51.96 53.22 2aj4 s ALA 152 Cb -0.03 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 2aj4 s ALA 152 CO 0.39 -0.26 1.09 0.20 0.00 0.00 0.00 175.76 177.19 2aj4 s GLY 153 N -1.17 2.33 0.07 0.00 0.00 -1.25 -4.79 107.32 102.50 2aj4 s GLY 153 Ca 0.52 0.59 -0.08 0.00 0.00 0.00 0.00 44.72 45.75 2aj4 s GLY 153 CO 0.36 0.93 0.16 1.08 0.00 0.00 0.00 173.10 175.62 2aj4 s LEU 154 N -4.28 1.58 -0.25 0.66 1.43 0.09 -1.15 118.68 116.75 2aj4 s LEU 154 Ca 0.68 -0.65 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 2aj4 s LEU 154 Cb -0.20 0.89 0.06 0.00 0.03 0.00 0.00 46.19 46.98 2aj4 s LEU 154 CO 0.33 -0.68 -0.07 -1.10 0.23 0.00 0.00 176.35 175.06 2aj4 s GLN 155 N -3.64 1.86 -0.04 1.70 -0.21 0.11 -2.02 119.66 117.41 2aj4 s GLN 155 Ca 0.03 -1.16 0.05 0.00 0.02 0.00 0.00 55.36 54.31 2aj4 s GLN 155 Cb 0.04 -2.72 -0.02 0.00 1.00 0.00 0.00 33.01 31.31 2aj4 s GLN 155 CO -0.10 -0.60 -0.19 0.08 -2.12 0.00 0.00 175.29 172.37 2aj4 s VAL 156 N 1.27 2.68 -0.14 1.09 1.01 -0.43 -1.15 120.40 124.71 2aj4 s VAL 156 Ca -0.07 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2aj4 s VAL 156 Cb -0.19 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.19 2aj4 s VAL 156 CO -0.06 0.58 -0.18 0.12 0.00 0.00 0.00 175.10 175.57 2aj4 s PHE 157 N -0.60 2.39 0.02 5.22 5.36 -0.56 -1.29 117.98 128.51 2aj4 s PHE 157 Ca 0.09 -1.28 0.06 0.00 -0.96 0.00 0.00 56.93 54.83 2aj4 s PHE 157 Cb -0.11 -1.69 -0.03 0.00 -0.34 0.00 0.00 43.02 40.85 2aj4 s PHE 157 CO 0.00 -0.64 -0.15 0.00 -1.46 0.00 0.00 175.22 172.97 2aj4 s GLU 159 N -1.32 0.54 0.11 0.00 2.12 -0.86 0.22 118.70 119.51 2aj4 s GLU 159 Ca 0.15 1.02 0.09 0.00 0.36 0.00 0.00 54.97 56.59 2aj4 s GLU 159 Cb -0.11 0.48 -0.04 0.00 0.26 0.00 0.00 34.13 34.72 2aj4 s GLU 159 CO 0.05 -0.56 -0.21 0.20 -0.54 0.00 0.00 175.26 174.21 2aj4 s GLY 160 N 2.82 1.65 0.00 -1.50 0.00 -1.26 -0.19 107.32 108.84 2aj4 s GLY 160 Ca 0.16 -1.37 0.13 0.00 0.00 0.00 0.00 44.72 43.63 2aj4 s GLY 160 CO -0.20 -1.34 1.14 2.09 0.00 0.00 0.00 173.10 174.78 2aj4 n ASP 161 N 0.90 2.66 -4.70 1.64 5.68 0.26 -4.94 116.55 118.05 2aj4 n ASP 161 Ca -0.16 -1.81 -0.42 0.00 -0.50 0.00 0.00 54.79 51.89 2aj4 n ASP 161 Cb 0.53 -0.16 -0.03 0.00 -1.14 0.00 0.00 41.12 40.32 2aj4 n ASP 161 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2aj4 s VAL 162 N -1.03 4.49 0.05 2.12 1.01 -1.20 -4.73 120.40 121.11 2aj4 s VAL 162 Ca 0.22 1.78 -0.31 0.00 0.00 0.00 0.00 61.98 63.68 2aj4 s VAL 162 Cb 0.13 -4.15 -0.07 0.00 0.00 0.00 0.00 36.38 32.29 2aj4 s VAL 162 CO 0.17 0.07 1.42 -2.84 0.00 0.00 0.00 175.10 173.92 2aj4 s PRO 163 N 1.61 4.29 0.27 2.72 0.02 -1.26 -4.89 135.00 137.75 2aj4 s PRO 163 Ca 0.54 2.04 -0.29 0.00 0.02 0.00 0.00 61.00 63.30 2aj4 s PRO 163 Cb -0.23 -3.46 -0.09 0.00 0.02 0.00 0.00 34.50 30.73 2aj4 s PRO 163 CO 0.24 -0.54 1.17 0.95 -0.33 0.00 0.00 177.00 178.49 2aj4 s THR 164 N 1.96 3.34 -1.57 0.99 -4.23 -1.26 -3.03 115.64 111.84 2aj4 s THR 164 Ca 0.65 1.28 0.00 0.00 -1.18 0.00 0.00 61.69 62.44 2aj4 s THR 164 Cb -0.34 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 69.69 2aj4 s THR 164 CO 0.28 0.28 0.00 0.61 -0.54 0.00 0.00 174.62 175.25 2aj4 n GLY 165 N 1.38 0.56 0.09 3.99 0.00 -1.26 -4.83 105.19 105.13 2aj4 n GLY 165 Ca 0.01 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.95 0.78 0.00 1.61 3.41 -1.17 -1.44 113.62 115.86 2aj4 n SER 166 Ca -0.18 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2aj4 n SER 166 Cb 0.60 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.99 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 1.24 0.69 0.97 5.00 0.00 -1.26 -0.81 105.19 111.01 2aj4 n GLY 167 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 2.94 -2.08 0.99 4.77 -1.26 -4.20 117.00 118.16 2aj4 n LEU 168 Ca 0.00 -1.17 -0.07 0.00 -0.03 0.00 0.00 56.01 54.74 2aj4 n LEU 168 Cb 0.00 -0.14 0.04 0.00 -2.33 0.00 0.00 43.42 40.99 2aj4 n LEU 168 CO 0.00 0.58 0.05 -0.24 -1.33 0.00 0.00 177.39 176.45 2aj4 n SER 169 N 1.20 -2.16 0.22 -1.43 2.88 -1.26 -1.27 113.62 111.80 2aj4 n SER 169 Ca 0.17 -0.27 0.09 0.00 -1.33 0.00 0.00 58.87 57.53 2aj4 n SER 169 Cb 0.55 -2.52 0.51 0.00 -0.75 0.00 0.00 64.21 61.99 2aj4 n SER 169 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2aj4 h SER 170 N -0.80 0.00 -0.99 -3.46 4.64 -1.90 -2.25 113.55 108.79 2aj4 h SER 170 Ca -0.26 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.10 2aj4 h SER 170 Cb 1.15 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.18 2aj4 h SER 170 CO 0.22 0.23 0.64 0.77 -0.87 0.00 0.00 176.83 177.83 2aj4 h SER 171 N 0.00 1.07 0.19 4.97 4.64 -1.94 -2.46 113.55 120.01 2aj4 h SER 171 Ca -0.00 -0.01 -0.25 0.00 -0.47 0.00 0.00 61.79 61.06 2aj4 h SER 171 Cb 0.66 -0.24 0.03 0.00 -0.31 0.00 0.00 62.40 62.54 2aj4 h SER 171 CO 0.03 0.72 -1.12 0.00 -0.87 0.00 0.00 176.83 175.59 2aj4 h ALA 172 N 1.41 -0.12 -0.85 5.18 0.00 -1.79 -2.55 119.26 120.54 2aj4 h ALA 172 Ca 0.40 -0.77 0.13 0.00 0.00 0.00 0.00 54.91 54.67 2aj4 h ALA 172 Cb 0.04 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 2aj4 h ALA 172 CO -0.14 0.52 0.45 0.00 0.00 0.00 0.00 179.25 180.09 2aj4 h ALA 173 N 0.11 1.27 0.33 0.00 0.00 -1.43 0.16 119.26 119.70 2aj4 h ALA 173 Ca -0.20 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2aj4 h ALA 173 Cb 1.88 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2aj4 h ALA 173 CO 0.21 -0.04 -0.16 0.35 0.00 0.00 0.00 179.25 179.61 2aj4 h PHE 174 N 0.67 -0.42 0.00 0.00 3.57 -1.51 -1.36 116.94 117.90 2aj4 h PHE 174 Ca 0.45 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.96 2aj4 h PHE 174 Cb 0.59 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 2aj4 h PHE 174 CO -0.08 -0.14 -0.11 0.82 -2.23 0.00 0.00 178.31 176.56 2aj4 h ILE 175 N -0.65 0.71 0.15 1.41 2.04 -1.10 -0.82 117.51 119.26 2aj4 h ILE 175 Ca -0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.83 2aj4 h ILE 175 Cb 0.46 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 2aj4 h ILE 175 CO 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 178.15 177.85 2aj4 h ALA 177 N -0.07 0.96 -0.16 0.00 0.00 -1.14 0.21 119.26 119.07 2aj4 h ALA 177 Ca 0.02 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2aj4 h ALA 177 Cb 0.64 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2aj4 h ALA 177 CO -0.20 -0.12 0.08 0.28 0.00 0.00 0.00 179.25 179.29 2aj4 h VAL 178 N 0.53 1.11 -0.30 0.00 2.07 -0.74 -1.06 116.25 117.85 2aj4 h VAL 178 Ca 0.36 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.57 2aj4 h VAL 178 Cb 0.44 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2aj4 h VAL 178 CO -0.31 0.11 0.16 0.00 0.02 0.00 0.00 177.57 177.55 2aj4 h ALA 179 N 0.96 0.37 0.32 1.67 0.00 0.31 -0.31 119.26 122.58 2aj4 h ALA 179 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2aj4 h ALA 179 Cb 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2aj4 h ALA 179 CO -0.01 -0.21 -0.31 1.25 0.00 0.00 0.00 179.25 179.96 2aj4 h LEU 180 N 0.34 -0.86 -0.94 0.00 5.85 -0.51 -2.56 115.31 116.63 2aj4 h LEU 180 Ca 0.12 0.07 0.28 0.00 0.84 0.00 0.00 57.88 59.19 2aj4 h LEU 180 Cb 0.02 0.28 -0.16 0.00 0.37 0.00 0.00 40.66 41.17 2aj4 h LEU 180 CO -0.07 -0.42 0.20 0.00 -0.34 0.00 0.00 178.44 177.81 2aj4 h ALA 181 N -1.24 1.37 -0.21 1.25 0.00 -0.86 0.31 119.26 119.88 2aj4 h ALA 181 Ca -0.04 0.28 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 2aj4 h ALA 181 Cb 0.54 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2aj4 h ALA 181 CO -0.03 -0.58 -0.23 0.28 0.00 0.00 0.00 179.25 178.68 2aj4 h VAL 182 N 0.10 1.25 0.08 0.00 2.07 -0.89 0.35 116.25 119.21 2aj4 h VAL 182 Ca 0.62 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2aj4 h VAL 182 Cb 1.33 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 2aj4 h VAL 182 CO -0.78 0.37 -0.04 0.58 0.02 0.00 0.00 177.57 177.72 2aj4 h VAL 183 N 0.35 1.18 -0.12 2.57 2.07 -0.00 -2.47 116.25 119.83 2aj4 h VAL 183 Ca 0.06 -1.15 0.05 0.00 0.82 0.00 0.00 66.70 66.47 2aj4 h VAL 183 Cb 0.60 1.89 -0.06 0.00 -1.52 0.00 0.00 31.29 32.21 2aj4 h VAL 183 CO 0.04 0.27 -0.25 0.50 0.02 0.00 0.00 177.57 178.15 2aj4 h LYS 184 N -0.66 -0.31 -1.15 1.57 3.64 -1.32 1.33 116.57 119.67 2aj4 h LYS 184 Ca -0.01 0.02 0.33 0.00 -1.27 0.00 0.00 60.65 59.72 2aj4 h LYS 184 Cb 0.53 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.32 2aj4 h LYS 184 CO 0.02 -0.21 0.74 0.00 -2.27 0.00 0.00 179.45 177.73 2aj4 h ALA 185 N 0.60 2.45 0.00 5.00 0.00 -0.24 -0.05 119.26 127.02 2aj4 h ALA 185 Ca 0.10 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 2aj4 h ALA 185 Cb 0.47 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2aj4 h ALA 185 CO -0.30 -0.94 -2.12 0.09 0.00 0.00 0.00 179.25 175.98 2aj4 n ASN 186 N -4.65 0.15 0.01 0.00 3.02 0.21 -4.50 115.26 109.51 2aj4 n ASN 186 Ca 0.30 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.66 2aj4 n ASN 186 Cb 1.10 1.58 -0.14 0.00 -0.61 0.00 0.00 39.78 41.71 2aj4 n ASN 186 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 2aj4 h MET 187 N 0.00 0.21 0.00 3.52 2.86 0.25 -3.51 114.93 118.27 2aj4 h MET 187 Ca -0.21 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.07 2aj4 h MET 187 Cb 1.46 0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.25 2aj4 h MET 187 CO 0.01 1.17 0.00 0.41 1.06 0.00 0.00 176.91 179.56 2aj4 n GLY 188 N 1.66 2.72 0.26 8.32 0.00 -0.12 -4.62 105.19 113.41 2aj4 n GLY 188 Ca -0.16 -2.10 0.10 0.00 0.00 0.00 0.00 46.02 43.87 2aj4 n GLY 188 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2aj4 h PRO 189 N 0.00 0.00 -0.15 1.61 0.11 -1.96 -1.94 132.00 129.68 2aj4 h PRO 189 Ca 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 2aj4 h PRO 189 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2aj4 h PRO 189 CO 0.00 0.07 -0.38 0.78 -0.21 0.00 0.00 178.00 178.25 2aj4 h GLY 190 N 0.27 0.34 -2.77 -0.55 0.00 -1.97 -3.45 103.07 94.95 2aj4 h GLY 190 Ca -0.00 -0.32 -0.49 0.00 0.00 0.00 0.00 47.33 46.52 2aj4 h GLY 190 CO 0.01 0.29 0.45 -0.47 0.00 0.00 0.00 176.54 176.82 2aj4 s TYR 191 N -4.22 3.09 -0.07 5.60 5.04 -0.73 -5.06 117.35 121.00 2aj4 s TYR 191 Ca -0.05 1.59 0.01 0.00 -2.44 0.00 0.00 57.07 56.18 2aj4 s TYR 191 Cb 0.13 -3.25 0.02 0.00 0.35 0.00 0.00 41.96 39.21 2aj4 s TYR 191 CO 0.78 -1.05 -0.08 -1.01 -1.34 0.00 0.00 175.55 172.85 2aj4 s HIS 192 N -1.60 1.21 -0.24 4.97 3.76 -1.26 -4.89 115.29 117.24 2aj4 s HIS 192 Ca 0.60 -0.47 -0.15 0.00 -0.15 0.00 0.00 55.06 54.89 2aj4 s HIS 192 Cb -0.25 -0.98 -0.04 0.00 1.11 0.00 0.00 32.58 32.42 2aj4 s HIS 192 CO 0.31 -0.32 0.37 -1.64 -0.85 0.00 0.00 174.74 172.62 2aj4 s MET 193 N 1.09 4.09 0.39 1.40 -1.94 -1.26 -5.00 119.30 118.07 2aj4 s MET 193 Ca -0.07 0.10 -0.25 0.00 -1.71 0.00 0.00 55.69 53.76 2aj4 s MET 193 Cb -0.14 -3.60 -0.09 0.00 2.01 0.00 0.00 34.83 33.01 2aj4 s MET 193 CO -0.01 -0.15 1.09 -1.54 -0.01 0.00 0.00 175.02 174.39 2aj4 s SER 194 N 1.33 6.74 0.44 3.03 1.04 -1.26 0.01 113.70 125.03 2aj4 s SER 194 Ca 0.16 2.14 0.18 0.00 0.48 0.00 0.00 55.95 58.92 2aj4 s SER 194 Cb -0.15 -2.60 1.13 0.00 0.10 0.00 0.00 66.02 64.50 2aj4 s SER 194 CO 0.09 -0.51 1.91 0.11 0.98 0.00 0.00 173.24 175.82 2aj4 h LYS 195 N 2.67 0.33 0.18 4.02 1.57 -1.51 -0.99 116.57 122.84 2aj4 h LYS 195 Ca -0.48 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 2aj4 h LYS 195 Cb 1.22 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2aj4 h LYS 195 CO 0.63 0.22 -0.09 1.96 -0.57 0.00 0.00 179.45 181.60 2aj4 h GLN 196 N 0.34 -0.23 0.00 3.15 1.08 -1.89 0.01 115.11 117.57 2aj4 h GLN 196 Ca 0.38 0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.54 2aj4 h GLN 196 Cb 1.00 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.47 2aj4 h GLN 196 CO -0.11 -0.14 -0.29 -0.91 -0.95 0.00 0.00 178.83 176.43 2aj4 h ASN 197 N -0.26 0.00 0.78 1.46 2.35 -1.59 0.25 115.58 118.57 2aj4 h ASN 197 Ca -0.02 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 2aj4 h ASN 197 Cb 0.20 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.58 2aj4 h ASN 197 CO 0.04 0.29 -0.38 0.25 -1.65 0.00 0.00 177.43 175.98 2aj4 h LEU 198 N 0.00 -0.89 -0.09 1.61 5.85 -0.50 -1.35 115.31 119.95 2aj4 h LEU 198 Ca -0.00 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2aj4 h LEU 198 Cb 0.55 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 2aj4 h LEU 198 CO 0.04 -0.62 0.04 -0.03 -0.34 0.00 0.00 178.44 177.53 2aj4 h MET 199 N -1.07 0.12 -0.75 1.25 4.05 -0.85 -1.34 114.93 116.33 2aj4 h MET 199 Ca -0.11 -0.02 0.17 0.00 -0.28 0.00 0.00 59.70 59.47 2aj4 h MET 199 Cb 0.81 -0.02 -0.12 0.00 -0.80 0.00 0.00 31.60 31.46 2aj4 h MET 199 CO 0.18 0.18 0.09 -0.09 0.23 0.00 0.00 176.91 177.49 2aj4 h ARG 200 N 0.03 0.16 0.00 0.39 2.43 -0.44 -1.24 114.38 115.71 2aj4 h ARG 200 Ca 0.03 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.01 2aj4 h ARG 200 Cb 0.10 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2aj4 h ARG 200 CO -0.00 0.11 -0.88 -0.84 -1.51 0.00 0.00 179.97 176.84 2aj4 h ILE 201 N 0.17 1.35 0.01 1.20 3.07 -1.03 -3.35 117.51 118.92 2aj4 h ILE 201 Ca 0.42 -2.94 -0.19 0.00 1.55 0.00 0.00 64.86 63.70 2aj4 h ILE 201 Cb 0.75 2.66 -0.02 0.00 -0.27 0.00 0.00 36.82 39.94 2aj4 h ILE 201 CO -0.61 0.77 -0.90 0.71 -1.05 0.00 0.00 178.15 177.07 2aj4 h THR 202 N 0.00 1.58 -0.28 0.16 1.35 -0.21 -3.34 112.91 112.17 2aj4 h THR 202 Ca -0.03 -2.88 0.08 0.00 -0.55 0.00 0.00 66.41 63.03 2aj4 h THR 202 Cb 1.65 2.59 -0.01 0.00 -1.73 0.00 0.00 68.15 70.64 2aj4 h THR 202 CO 0.10 0.83 0.79 1.62 -0.25 0.00 0.00 175.52 178.61 2aj4 h VAL 203 N 0.04 0.05 -0.02 6.82 3.04 -1.41 -0.77 116.25 124.00 2aj4 h VAL 203 Ca -0.03 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 2aj4 h VAL 203 Cb 1.56 0.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 2aj4 h VAL 203 CO 0.13 0.00 0.00 1.33 -1.01 0.00 0.00 177.57 178.02 2aj4 n VAL 204 N -2.93 0.29 -0.20 1.51 0.24 -1.25 -4.11 118.33 111.88 2aj4 n VAL 204 Ca 0.05 -0.65 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 2aj4 n VAL 204 Cb 0.89 0.89 0.08 0.00 -1.47 0.00 0.00 33.84 34.23 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 0.41 0.52 0.00 2.33 0.00 -1.31 -1.37 119.26 119.84 2aj4 h ALA 205 Ca 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2aj4 h ALA 205 Cb 0.22 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2aj4 h ALA 205 CO 0.00 -0.41 -0.00 0.93 0.00 0.00 0.00 179.25 179.77 2aj4 h GLU 206 N 0.06 0.00 0.00 0.00 5.08 -1.86 -1.93 114.58 115.93 2aj4 h GLU 206 Ca 0.31 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.65 2aj4 h GLU 206 Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2aj4 h GLU 206 CO -0.58 0.00 -0.12 0.45 -1.00 0.00 0.00 179.01 177.77 2aj4 h HIS 207 N 0.00 0.00 0.00 4.33 3.86 -1.16 -0.80 115.15 121.37 2aj4 h HIS 207 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2aj4 h HIS 207 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2aj4 h HIS 207 CO 0.00 0.12 0.00 0.66 0.86 0.00 0.00 177.93 179.57 2aj4 n TYR 208 N -3.96 0.72 -0.40 2.45 4.02 -0.72 -1.85 117.16 117.42 2aj4 n TYR 208 Ca -0.02 0.29 0.08 0.00 -0.01 0.00 0.00 57.90 58.23 2aj4 n TYR 208 Cb 0.21 -0.96 0.25 0.00 -0.02 0.00 0.00 39.34 38.82 2aj4 n TYR 208 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 176.86 177.40 2aj4 n VAL 209 N -2.16 1.29 -1.00 -0.72 3.14 -0.34 -4.73 118.33 113.82 2aj4 n VAL 209 Ca 0.02 -1.13 0.00 0.00 -2.96 0.00 0.00 64.34 60.27 2aj4 n VAL 209 Cb 0.22 0.35 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 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 0.83 0.51 3.18 7.55 0.00 -0.77 -4.82 105.19 111.67 2aj4 n GLY 210 Ca 0.19 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 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 2.56 -1.16 1.61 1.01 -1.04 -5.01 120.40 116.38 2aj4 s VAL 211 Ca 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 2aj4 s VAL 211 Cb 0.00 -2.16 0.15 0.00 0.00 0.00 0.00 36.38 34.37 2aj4 s VAL 211 CO 0.00 0.43 2.34 0.59 0.00 0.00 0.00 175.10 178.46 2aj4 n ASN 212 N 4.67 7.74 -4.43 3.32 3.02 -1.26 -3.05 115.26 125.27 2aj4 n ASN 212 Ca -0.19 -3.25 -0.26 0.00 -0.03 0.00 0.00 54.58 50.84 2aj4 n ASN 212 Cb 0.49 -1.31 0.15 0.00 -0.61 0.00 0.00 39.78 38.50 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 0.06 3.78 0.67 6.41 4.22 -1.26 -4.97 114.94 123.85 2aj4 s ASN 213 Ca 0.52 -0.19 -0.02 0.00 -2.14 0.00 0.00 52.86 51.03 2aj4 s ASN 213 Cb 0.22 -0.01 0.08 0.00 1.28 0.00 0.00 41.25 42.81 2aj4 s ASN 213 CO -0.12 -2.26 0.49 0.61 -2.04 0.00 0.00 177.10 173.78 2aj4 n GLY 214 N -3.22 0.16 2.17 0.45 0.00 -1.26 -4.86 105.19 98.62 2aj4 n GLY 214 Ca 0.16 -1.91 -0.24 0.00 0.00 0.00 0.00 46.02 44.03 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 1.40 4.67 0.17 -0.02 0.00 -1.26 -4.54 105.19 105.61 2aj4 n GLY 215 Ca 0.07 -1.23 -0.05 0.00 0.00 0.00 0.00 46.02 44.82 2aj4 n GLY 215 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2aj4 h MET 216 N 1.10 0.01 0.07 1.61 1.85 -1.93 -0.46 114.93 117.18 2aj4 h MET 216 Ca 0.61 -0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.69 2aj4 h MET 216 Cb 2.59 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 34.62 2aj4 h MET 216 CO 1.11 0.01 -0.04 -0.44 -0.40 0.00 0.00 176.91 177.15 2aj4 h ASP 217 N 0.01 -0.08 -0.09 1.39 3.32 -1.98 -2.23 116.42 116.75 2aj4 h ASP 217 Ca 0.19 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 2aj4 h ASP 217 Cb 0.29 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 2aj4 h ASP 217 CO -0.40 0.05 0.04 1.56 -1.72 0.00 0.00 179.24 178.77 2aj4 h GLN 218 N -0.21 0.14 -0.64 3.56 7.50 -1.85 0.11 115.11 123.71 2aj4 h GLN 218 Ca -0.01 -0.02 0.14 0.00 0.50 0.00 0.00 58.65 59.25 2aj4 h GLN 218 Cb 0.18 -0.02 -0.11 0.00 0.05 0.00 0.00 27.48 27.58 2aj4 h GLN 218 CO 0.02 0.24 -0.02 0.00 -1.50 0.00 0.00 178.83 177.57 2aj4 h ALA 219 N 0.88 0.61 -0.03 3.87 0.00 -1.05 0.17 119.26 123.71 2aj4 h ALA 219 Ca 0.03 0.21 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 2aj4 h ALA 219 Cb 0.16 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2aj4 h ALA 219 CO -0.00 -0.40 -0.60 0.00 0.00 0.00 0.00 179.25 178.25 2aj4 h ALA 220 N 1.60 0.95 -0.52 0.00 0.00 -1.10 0.23 119.26 120.43 2aj4 h ALA 220 Ca 0.34 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2aj4 h ALA 220 Cb 0.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2aj4 h ALA 220 CO -0.57 0.74 0.06 1.03 0.00 0.00 0.00 179.25 180.50 2aj4 h SER 221 N 0.07 0.84 0.51 0.00 0.87 0.19 -2.82 113.55 113.21 2aj4 h SER 221 Ca -0.01 -0.28 -0.03 0.00 -1.23 0.00 0.00 61.79 60.25 2aj4 h SER 221 Cb 1.07 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 62.81 2aj4 h SER 221 CO 0.08 0.91 -0.25 0.58 -0.53 0.00 0.00 176.83 177.62 2aj4 h VAL 222 N 0.75 0.00 0.00 2.23 2.07 -0.75 -1.85 116.25 118.70 2aj4 h VAL 222 Ca 0.15 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2aj4 h VAL 222 Cb 0.44 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2aj4 h VAL 222 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 2aj4 n GLY 224 N 0.40 0.25 3.22 0.00 0.00 -1.06 -4.76 105.19 103.25 2aj4 n GLY 224 Ca 0.13 0.37 -0.23 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.37 1.14 0.03 1.61 2.02 -1.10 -0.40 118.70 120.63 2aj4 s GLU 225 Ca 0.60 -0.94 -0.30 0.00 0.02 0.00 0.00 54.97 54.35 2aj4 s GLU 225 Cb -0.66 -1.25 -0.07 0.00 0.10 0.00 0.00 34.13 32.25 2aj4 s GLU 225 CO 0.58 0.31 1.57 -2.00 0.02 0.00 0.00 175.26 175.74 2aj4 s GLU 226 N -1.39 4.22 -0.91 1.61 2.12 -1.26 -2.24 118.70 120.85 2aj4 s GLU 226 Ca 0.05 2.19 0.00 0.00 0.36 0.00 0.00 54.97 57.57 2aj4 s GLU 226 Cb -0.09 -3.66 0.00 0.00 0.26 0.00 0.00 34.13 30.64 2aj4 s GLU 226 CO 0.02 -0.70 0.00 -0.25 -0.54 0.00 0.00 175.26 173.79 2aj4 n ASP 227 N 5.80 -3.53 -3.95 -1.70 8.00 -0.89 -4.98 116.55 115.31 2aj4 n ASP 227 Ca 0.15 0.01 -0.14 0.00 0.71 0.00 0.00 54.79 55.52 2aj4 n ASP 227 Cb 0.42 -2.71 -0.14 0.00 -0.02 0.00 0.00 41.12 38.67 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 -2.51 0.36 0.36 1.24 3.76 -0.95 -4.47 115.29 113.08 2aj4 s HIS 228 Ca 0.00 -0.12 0.07 0.00 -0.15 0.00 0.00 55.06 54.85 2aj4 s HIS 228 Cb 0.00 -0.23 -0.01 0.00 1.11 0.00 0.00 32.58 33.45 2aj4 s HIS 228 CO 0.00 -0.02 0.49 0.00 -0.85 0.00 0.00 174.74 174.36 2aj4 s ALA 229 N -0.27 4.30 0.13 -1.40 0.00 0.29 -4.37 121.76 120.44 2aj4 s ALA 229 Ca -0.00 -1.52 0.06 0.00 0.00 0.00 0.00 51.96 50.49 2aj4 s ALA 229 Cb -0.03 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 2aj4 s ALA 229 CO -0.00 -0.09 -0.14 -0.51 0.00 0.00 0.00 175.76 175.02 2aj4 s LEU 230 N -4.21 2.43 -0.29 0.00 1.43 -0.83 -0.88 118.68 116.33 2aj4 s LEU 230 Ca 0.47 -0.86 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 2aj4 s LEU 230 Cb -0.09 -0.54 0.07 0.00 0.03 0.00 0.00 46.19 45.66 2aj4 s LEU 230 CO 0.31 -0.17 -0.04 -0.47 0.23 0.00 0.00 176.35 176.22 2aj4 s TYR 231 N -2.36 3.44 -0.15 0.29 5.04 -0.99 -3.24 117.35 119.38 2aj4 s TYR 231 Ca 0.11 -2.52 -0.11 0.00 -2.44 0.00 0.00 57.07 52.12 2aj4 s TYR 231 Cb -0.04 -2.31 -0.05 0.00 0.35 0.00 0.00 41.96 39.92 2aj4 s TYR 231 CO 0.03 -0.90 0.21 0.08 -1.34 0.00 0.00 175.55 173.63 2aj4 s VAL 232 N 1.05 5.36 -0.04 3.14 1.01 -0.65 -0.93 120.40 129.34 2aj4 s VAL 232 Ca -0.02 0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.37 2aj4 s VAL 232 Cb -0.20 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2aj4 s VAL 232 CO -0.06 0.49 -0.14 -1.61 0.00 0.00 0.00 175.10 173.78 2aj4 s GLU 233 N -0.13 1.53 -0.13 2.72 2.02 0.87 -0.99 118.70 124.58 2aj4 s GLU 233 Ca 0.14 -0.48 0.14 0.00 0.02 0.00 0.00 54.97 54.79 2aj4 s GLU 233 Cb -0.12 -1.33 -0.19 0.00 0.10 0.00 0.00 34.13 32.58 2aj4 s GLU 233 CO 0.03 0.16 0.09 1.19 0.02 0.00 0.00 175.26 176.75 2aj4 n PHE 234 N 3.32 0.00 -3.93 1.61 3.01 -1.25 0.13 117.46 120.35 2aj4 n PHE 234 Ca -0.19 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.17 2aj4 n PHE 234 Cb 0.53 -0.69 -0.11 0.00 -0.01 0.00 0.00 39.48 39.20 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 -2.45 0.33 0.36 -1.08 1.02 -1.26 -3.45 119.74 113.21 2aj4 s LYS 235 Ca -0.07 -0.46 0.27 0.00 0.02 0.00 0.00 55.97 55.73 2aj4 s LYS 235 Cb 0.05 0.13 1.09 0.00 -0.52 0.00 0.00 37.83 38.57 2aj4 s LYS 235 CO 0.61 -0.06 1.80 -1.00 -0.92 0.00 0.00 175.35 175.79 2aj4 h PRO 236 N 4.73 0.00 -4.21 -1.68 0.13 -1.81 -3.44 132.00 125.73 2aj4 h PRO 236 Ca -0.31 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.58 2aj4 h PRO 236 Cb 1.20 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 2aj4 h PRO 236 CO 0.42 0.00 -0.72 -0.65 -0.23 0.00 0.00 178.00 176.81 2aj4 s GLN 237 N -3.42 0.36 -0.39 0.86 -1.52 -1.25 -5.11 119.66 109.20 2aj4 s GLN 237 Ca 0.04 -0.52 -0.28 0.00 -1.95 0.00 0.00 55.36 52.65 2aj4 s GLN 237 Cb 0.09 -0.13 -0.01 0.00 -0.22 0.00 0.00 33.01 32.75 2aj4 s GLN 237 CO 0.46 0.02 1.65 -1.17 -0.25 0.00 0.00 175.29 176.00 2aj4 s LEU 238 N -1.10 3.51 -0.04 2.90 2.96 -1.22 -3.94 118.68 121.75 2aj4 s LEU 238 Ca -0.09 1.02 -0.05 0.00 -0.22 0.00 0.00 54.13 54.79 2aj4 s LEU 238 Cb -0.07 -3.43 0.01 0.00 0.50 0.00 0.00 46.19 43.20 2aj4 s LEU 238 CO -0.00 -1.66 0.12 -0.75 -1.32 0.00 0.00 176.35 172.74 2aj4 s LYS 239 N 5.50 0.21 -0.09 1.98 2.20 0.12 -5.01 119.74 124.66 2aj4 s LYS 239 Ca 0.71 0.05 0.05 0.00 -0.36 0.00 0.00 55.97 56.42 2aj4 s LYS 239 Cb -0.18 0.10 -0.00 0.00 -1.51 0.00 0.00 37.83 36.23 2aj4 s LYS 239 CO 0.32 -0.04 -0.24 0.00 -0.36 0.00 0.00 175.35 175.03 2aj4 s ALA 240 N -0.24 2.17 -0.23 3.13 0.00 -1.26 -0.09 121.76 125.24 2aj4 s ALA 240 Ca -0.03 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 2aj4 s ALA 240 Cb -0.02 -0.77 0.07 0.00 0.00 0.00 0.00 23.12 22.40 2aj4 s ALA 240 CO 0.00 0.33 0.07 0.99 0.00 0.00 0.00 175.76 177.15 2aj4 s THR 241 N 0.17 0.49 0.62 0.00 2.01 -0.10 -4.90 115.64 113.92 2aj4 s THR 241 Ca -0.14 -0.76 -0.18 0.00 0.31 0.00 0.00 61.69 60.93 2aj4 s THR 241 Cb -0.17 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 2aj4 s THR 241 CO 0.07 -0.39 1.19 -2.16 -0.69 0.00 0.00 174.62 172.64 2aj4 s PRO 242 N 1.85 2.83 -0.26 4.92 0.04 -1.26 -2.33 135.00 140.79 2aj4 s PRO 242 Ca 0.03 1.74 -0.26 0.00 0.04 0.00 0.00 61.00 62.56 2aj4 s PRO 242 Cb -0.17 -1.92 0.12 0.00 0.04 0.00 0.00 34.50 32.57 2aj4 s PRO 242 CO -0.16 -1.29 0.99 -0.59 0.04 0.00 0.00 177.00 175.99 2aj4 s PHE 243 N -1.77 -0.49 0.61 0.56 -0.12 -0.06 -4.96 117.98 111.74 2aj4 s PHE 243 Ca 0.75 1.17 -0.05 0.00 -0.05 0.00 0.00 56.93 58.75 2aj4 s PHE 243 Cb -0.28 0.36 0.03 0.00 -0.63 0.00 0.00 43.02 42.50 2aj4 s PHE 243 CO 0.36 -0.26 0.90 0.15 -0.05 0.00 0.00 175.22 176.31 2aj4 s LYS 244 N 0.06 2.67 0.61 1.99 1.02 -1.26 -0.55 119.74 124.28 2aj4 s LYS 244 Ca 0.02 -0.22 -0.13 0.00 0.02 0.00 0.00 55.97 55.66 2aj4 s LYS 244 Cb -0.04 -2.30 -0.04 0.00 -0.52 0.00 0.00 37.83 34.93 2aj4 s LYS 244 CO -0.04 -0.82 1.03 -0.06 -0.92 0.00 0.00 175.35 174.54 2aj4 s PHE 245 N -3.00 3.36 0.24 3.18 0.40 -1.26 -4.93 117.98 115.97 2aj4 s PHE 245 Ca 0.56 1.40 -0.31 0.00 -0.60 0.00 0.00 56.93 57.97 2aj4 s PHE 245 Cb -0.11 -2.82 -0.13 0.00 0.51 0.00 0.00 43.02 40.47 2aj4 s PHE 245 CO 0.43 -0.82 1.47 -0.35 0.70 0.00 0.00 175.22 176.65 2aj4 n PRO 246 N -2.48 2.19 -2.58 0.24 -0.04 -1.26 -4.88 135.00 126.20 2aj4 n PRO 246 Ca 0.07 0.78 -0.43 0.00 -0.04 0.00 0.00 63.50 63.88 2aj4 n PRO 246 Cb 0.54 -2.48 -0.02 0.00 -0.04 0.00 0.00 33.50 31.50 2aj4 n PRO 246 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2aj4 s GLN 247 N -0.23 3.91 0.33 0.54 0.74 -1.26 -4.90 119.66 118.80 2aj4 s GLN 247 Ca 0.69 0.94 -0.05 0.00 0.05 0.00 0.00 55.36 56.98 2aj4 s GLN 247 Cb -0.62 -3.83 0.08 0.00 1.10 0.00 0.00 33.01 29.73 2aj4 s GLN 247 CO 0.48 -1.12 0.45 1.28 -0.55 0.00 0.00 175.29 175.83 2aj4 n LEU 248 N 7.40 0.00 -0.10 3.68 4.77 -1.26 -5.03 117.00 126.45 2aj4 n LEU 248 Ca 0.13 -0.55 -0.21 0.00 -0.03 0.00 0.00 56.01 55.34 2aj4 n LEU 248 Cb 0.48 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 2aj4 n LEU 248 CO 0.64 -0.81 -1.15 0.29 -1.33 0.00 0.00 177.39 175.03 2aj4 n LYS 249 N -1.95 0.47 0.00 3.23 5.02 -1.26 -4.73 118.16 118.94 2aj4 n LYS 249 Ca 0.06 0.20 0.08 0.00 -2.02 0.00 0.00 58.31 56.63 2aj4 n LYS 249 Cb 0.21 -1.29 -0.06 0.00 -0.02 0.00 0.00 35.03 33.86 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 -4.06 0.99 -4.26 4.39 3.02 -1.26 -5.04 115.26 109.03 2aj4 n ASN 250 Ca -0.39 -0.99 -0.17 0.00 -0.03 0.00 0.00 54.58 53.00 2aj4 n ASN 250 Cb 0.75 0.85 -0.10 0.00 -0.61 0.00 0.00 39.78 40.67 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 -2.32 1.56 -0.11 3.10 3.76 -1.26 -4.85 115.29 115.17 2aj4 s HIS 251 Ca 0.08 -1.21 -0.04 0.00 -0.15 0.00 0.00 55.06 53.74 2aj4 s HIS 251 Cb 0.12 -0.90 -0.04 0.00 1.11 0.00 0.00 32.58 32.87 2aj4 s HIS 251 CO 0.58 -0.36 0.04 -1.21 -0.85 0.00 0.00 174.74 172.93 2aj4 s GLU 252 N -3.99 3.30 -0.25 1.40 2.02 -1.11 -4.27 118.70 115.80 2aj4 s GLU 252 Ca 0.37 -0.35 -0.21 0.00 0.02 0.00 0.00 54.97 54.81 2aj4 s GLU 252 Cb 0.07 -2.96 -0.02 0.00 0.10 0.00 0.00 34.13 31.33 2aj4 s GLU 252 CO 0.14 0.61 0.67 0.42 0.02 0.00 0.00 175.26 177.12 2aj4 s ILE 253 N -0.60 4.95 0.05 -1.63 1.01 -1.26 0.21 121.20 123.94 2aj4 s ILE 253 Ca 0.11 1.20 0.05 0.00 0.00 0.00 0.00 60.65 62.00 2aj4 s ILE 253 Cb -0.12 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 2aj4 s ILE 253 CO 0.02 0.00 -0.14 -0.44 0.00 0.00 0.00 174.94 174.38 2aj4 s SER 254 N 1.46 1.65 -0.14 3.58 0.01 -0.48 -4.81 113.70 114.97 2aj4 s SER 254 Ca 0.28 -0.53 0.02 0.00 1.31 0.00 0.00 55.95 57.03 2aj4 s SER 254 Cb -0.15 -0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.01 2aj4 s SER 254 CO 0.08 -0.02 -0.22 -0.36 0.41 0.00 0.00 173.24 173.14 2aj4 s PHE 255 N -1.04 2.66 -0.20 2.43 0.40 -1.26 -1.33 117.98 119.64 2aj4 s PHE 255 Ca -0.00 -1.37 -0.06 0.00 -0.60 0.00 0.00 56.93 54.90 2aj4 s PHE 255 Cb -0.09 -1.82 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 2aj4 s PHE 255 CO 0.02 -0.63 0.02 0.08 0.70 0.00 0.00 175.22 175.40 2aj4 s VAL 256 N 0.88 4.18 -0.18 -0.44 1.01 0.37 -1.67 120.40 124.55 2aj4 s VAL 256 Ca -0.05 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 2aj4 s VAL 256 Cb -0.15 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 2aj4 s VAL 256 CO -0.03 0.43 0.13 -0.63 0.00 0.00 0.00 175.10 174.99 2aj4 s ILE 257 N 0.86 5.38 -0.12 2.22 1.01 0.24 -1.26 121.20 129.52 2aj4 s ILE 257 Ca 0.02 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.84 2aj4 s ILE 257 Cb -0.14 -3.43 0.02 0.00 0.01 0.00 0.00 42.46 38.92 2aj4 s ILE 257 CO 0.02 0.48 -0.11 0.00 0.00 0.00 0.00 174.94 175.33 2aj4 s ALA 258 N 0.05 1.57 0.04 9.38 0.00 -0.98 0.18 121.76 132.01 2aj4 s ALA 258 Ca 0.09 -0.70 -0.21 0.00 0.00 0.00 0.00 51.96 51.14 2aj4 s ALA 258 Cb -0.11 -0.94 -0.06 0.00 0.00 0.00 0.00 23.12 22.01 2aj4 s ALA 258 CO -0.01 -0.33 0.63 1.21 0.00 0.00 0.00 175.76 177.27 2aj4 s ASN 259 N 1.47 7.07 0.46 0.00 3.84 -0.57 -0.79 114.94 126.41 2aj4 s ASN 259 Ca 0.02 1.28 0.28 0.00 0.21 0.00 0.00 52.86 54.65 2aj4 s ASN 259 Cb -0.13 -2.39 0.87 0.00 -0.55 0.00 0.00 41.25 39.04 2aj4 s ASN 259 CO -0.08 0.15 1.79 0.71 -2.79 0.00 0.00 177.10 176.88 2aj4 h THR 260 N 3.88 0.00 -0.34 -5.21 1.35 -0.86 -3.46 112.91 108.27 2aj4 h THR 260 Ca -0.46 -0.69 -0.15 0.00 -0.55 0.00 0.00 66.41 64.56 2aj4 h THR 260 Cb 1.21 1.67 -0.06 0.00 -1.73 0.00 0.00 68.15 69.24 2aj4 h THR 260 CO 0.68 0.00 -0.13 0.18 -0.25 0.00 0.00 175.52 175.99 2aj4 n LEU 261 N -2.96 -0.46 -4.53 3.87 4.77 -1.26 -4.96 117.00 111.47 2aj4 n LEU 261 Ca 0.03 0.18 -0.37 0.00 -0.03 0.00 0.00 56.01 55.81 2aj4 n LEU 261 Cb 0.40 -1.45 -0.12 0.00 -2.33 0.00 0.00 43.42 39.93 2aj4 n LEU 261 CO 0.30 -0.44 -0.22 -0.69 -1.33 0.00 0.00 177.39 175.01 2aj4 s VAL 262 N -2.20 4.90 -0.08 4.08 1.01 -1.26 -4.99 120.40 121.86 2aj4 s VAL 262 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 2aj4 s VAL 262 Cb 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2aj4 s VAL 262 CO 0.00 0.29 1.19 -0.69 0.00 0.00 0.00 175.10 175.88 2aj4 s VAL 263 N 1.69 4.32 -0.22 2.92 1.01 -1.26 0.71 120.40 129.57 2aj4 s VAL 263 Ca 0.07 1.63 -0.00 0.00 0.00 0.00 0.00 61.98 63.68 2aj4 s VAL 263 Cb -0.16 -4.05 0.06 0.00 0.00 0.00 0.00 36.38 32.23 2aj4 s VAL 263 CO 0.08 -0.03 -0.03 -0.55 0.00 0.00 0.00 175.10 174.57 2aj4 s SER 264 N 1.50 3.56 -0.36 3.32 0.15 -0.52 -4.83 113.70 116.52 2aj4 s SER 264 Ca 0.55 -1.06 -0.08 0.00 0.70 0.00 0.00 55.95 56.06 2aj4 s SER 264 Cb -0.23 -1.03 0.04 0.00 -1.71 0.00 0.00 66.02 63.09 2aj4 s SER 264 CO 0.20 -0.25 0.15 0.21 1.20 0.00 0.00 173.24 174.75 2aj4 s ASN 265 N 1.52 5.45 0.42 5.45 3.84 -1.26 -4.30 114.94 126.06 2aj4 s ASN 265 Ca -0.04 -1.18 0.18 0.00 0.21 0.00 0.00 52.86 52.03 2aj4 s ASN 265 Cb -0.18 -1.92 1.10 0.00 -0.55 0.00 0.00 41.25 39.70 2aj4 s ASN 265 CO -0.07 -0.37 1.84 0.07 -2.79 0.00 0.00 177.10 175.78 2aj4 h LYS 266 N 8.29 0.39 0.26 0.43 2.10 -1.97 -2.63 116.57 123.43 2aj4 h LYS 266 Ca -0.23 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.38 2aj4 h LYS 266 Cb 1.09 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 2aj4 h LYS 266 CO 0.64 0.26 -0.13 0.35 -2.00 0.00 0.00 179.45 178.57 2aj4 h PHE 267 N 0.40 -0.33 -0.69 0.07 3.57 -1.97 -2.00 116.94 116.00 2aj4 h PHE 267 Ca 0.49 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 62.13 2aj4 h PHE 267 Cb 1.25 0.11 -0.11 0.00 2.79 0.00 0.00 35.95 39.99 2aj4 h PHE 267 CO -0.00 -0.06 0.10 0.93 -2.23 0.00 0.00 178.31 177.05 2aj4 h GLU 268 N -0.57 0.20 -0.61 1.11 5.08 -1.91 -2.49 114.58 115.39 2aj4 h GLU 268 Ca -0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2aj4 h GLU 268 Cb 0.42 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2aj4 h GLU 268 CO 0.06 0.13 0.00 0.25 -1.00 0.00 0.00 179.01 178.45 2aj4 n THR 269 N -5.21 1.07 -0.33 1.13 -2.24 -1.22 -4.77 114.28 102.72 2aj4 n THR 269 Ca 0.12 -1.02 0.16 0.00 -2.27 0.00 0.00 64.05 61.04 2aj4 n THR 269 Cb 0.41 0.47 0.32 0.00 -2.10 0.00 0.00 70.33 69.43 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 3.60 1.28 0.00 6.98 0.00 -0.87 1.77 119.26 132.02 2aj4 h ALA 270 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2aj4 h ALA 270 Cb 0.95 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2aj4 h ALA 270 CO 0.02 -0.60 0.00 -2.30 0.00 0.00 0.00 179.25 176.37 2aj4 n PRO 271 N -5.43 0.13 -0.00 0.00 -0.02 -1.26 0.44 135.00 128.86 2aj4 n PRO 271 Ca 0.24 0.18 0.02 0.00 -2.02 0.00 0.00 63.50 61.93 2aj4 n PRO 271 Cb 0.80 -1.68 -0.03 0.00 -0.02 0.00 0.00 33.50 32.58 2aj4 n PRO 271 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2aj4 n THR 272 N -1.91 0.00 0.00 3.45 -2.24 -0.46 0.17 114.28 113.29 2aj4 n THR 272 Ca 0.05 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2aj4 n THR 272 Cb 0.33 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.63 0.00 -0.18 3.42 5.03 0.59 -4.65 115.26 117.84 2aj4 n ASN 273 Ca -0.01 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.31 2aj4 n ASN 273 Cb 0.10 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 38.76 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 -1.73 0.00 3.10 3.20 -1.62 -1.73 116.97 118.19 2aj4 h TYR 274 Ca 0.00 0.09 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 2aj4 h TYR 274 Cb 0.00 0.82 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 2aj4 h TYR 274 CO 0.00 -0.48 -0.35 -0.91 -1.64 0.00 0.00 178.16 174.79 2aj4 h ASN 275 N -0.34 0.00 -0.77 -2.11 2.35 -0.31 -2.83 115.58 111.56 2aj4 h ASN 275 Ca 0.09 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 2aj4 h ASN 275 Cb 0.57 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.91 2aj4 h ASN 275 CO -0.64 0.35 0.37 0.25 -1.65 0.00 0.00 177.43 176.11 2aj4 h LEU 276 N 0.00 1.00 0.29 1.61 5.85 -1.04 -2.28 115.31 120.74 2aj4 h LEU 276 Ca -0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2aj4 h LEU 276 Cb 0.90 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 2aj4 h LEU 276 CO 0.05 0.85 -0.33 0.03 -0.34 0.00 0.00 178.44 178.69 2aj4 h ARG 277 N 1.08 -0.64 -0.62 1.25 2.47 -1.19 -1.08 114.38 115.65 2aj4 h ARG 277 Ca 0.26 0.04 0.13 0.00 -1.26 0.00 0.00 59.98 59.16 2aj4 h ARG 277 Cb 0.11 0.15 -0.10 0.00 -1.65 0.00 0.00 29.97 28.47 2aj4 h ARG 277 CO -0.03 -0.43 0.01 0.28 0.56 0.00 0.00 179.97 180.35 2aj4 h VAL 278 N -0.67 0.49 -0.76 2.04 2.07 -1.34 -0.58 116.25 117.50 2aj4 h VAL 278 Ca -0.01 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2aj4 h VAL 278 Cb 0.62 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2aj4 h VAL 278 CO -0.09 0.02 0.48 0.58 0.02 0.00 0.00 177.57 178.59 2aj4 h VAL 279 N 0.12 1.21 -0.79 2.57 2.07 -1.07 -0.89 116.25 119.47 2aj4 h VAL 279 Ca 0.32 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.44 2aj4 h VAL 279 Cb 0.52 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 2aj4 h VAL 279 CO -0.53 0.21 0.52 -0.33 0.02 0.00 0.00 177.57 177.46 2aj4 h GLU 280 N 1.04 1.03 -0.08 1.57 5.08 0.02 0.31 114.58 123.56 2aj4 h GLU 280 Ca 0.28 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.39 2aj4 h GLU 280 Cb -0.08 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 28.93 2aj4 h GLU 280 CO -0.06 0.68 -0.73 -0.39 -1.00 0.00 0.00 179.01 177.52 2aj4 h VAL 281 N 1.06 1.37 -0.15 3.13 -1.51 -0.92 -0.97 116.25 118.27 2aj4 h VAL 281 Ca 0.29 -2.13 -0.01 0.00 -1.23 0.00 0.00 66.70 63.62 2aj4 h VAL 281 Cb -0.12 2.10 -0.01 0.00 -2.13 0.00 0.00 31.29 31.14 2aj4 h VAL 281 CO -0.07 0.64 0.04 0.74 -1.23 0.00 0.00 177.57 177.69 2aj4 h THR 282 N 0.29 1.20 -0.40 7.19 2.02 -0.92 -1.19 112.91 121.09 2aj4 h THR 282 Ca -0.03 -0.62 -0.05 0.00 0.77 0.00 0.00 66.41 66.48 2aj4 h THR 282 Cb 1.31 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 69.03 2aj4 h THR 282 CO 0.13 0.18 0.04 0.74 0.37 0.00 0.00 175.52 176.98 2aj4 h THR 283 N 0.04 1.21 -0.84 3.16 2.02 -0.88 -1.73 112.91 115.88 2aj4 h THR 283 Ca 0.05 -0.80 -0.03 0.00 0.77 0.00 0.00 66.41 66.39 2aj4 h THR 283 Cb 0.25 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 2aj4 h THR 283 CO 0.00 0.28 0.41 0.00 0.37 0.00 0.00 175.52 176.58 2aj4 h ALA 284 N 1.44 1.08 -0.46 6.16 0.00 -0.76 0.04 119.26 126.77 2aj4 h ALA 284 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2aj4 h ALA 284 Cb 0.32 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2aj4 h ALA 284 CO 0.01 0.65 0.29 0.00 0.00 0.00 0.00 179.25 180.19 2aj4 h ALA 285 N 1.22 0.58 0.00 0.00 0.00 -0.38 0.02 119.26 120.71 2aj4 h ALA 285 Ca 0.29 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 2aj4 h ALA 285 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2aj4 h ALA 285 CO -0.04 0.05 -0.33 -0.91 0.00 0.00 0.00 179.25 178.03 2aj4 h ASN 286 N 0.61 0.00 0.53 0.00 2.35 -0.74 -1.67 115.58 116.66 2aj4 h ASN 286 Ca 0.17 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.62 2aj4 h ASN 286 Cb -0.03 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.35 2aj4 h ASN 286 CO -0.03 0.33 -1.34 0.58 -1.65 0.00 0.00 177.43 175.32 2aj4 h VAL 287 N 0.00 1.40 -0.64 2.81 2.07 -0.68 -2.18 116.25 119.02 2aj4 h VAL 287 Ca -0.00 -2.95 -0.01 0.00 0.82 0.00 0.00 66.70 64.55 2aj4 h VAL 287 Cb 0.75 2.93 -0.03 0.00 -1.52 0.00 0.00 31.29 33.43 2aj4 h VAL 287 CO 0.04 0.87 0.35 -0.07 0.02 0.00 0.00 177.57 178.78 2aj4 h LEU 288 N 0.09 0.81 -0.32 2.57 3.38 -0.86 0.15 115.31 121.13 2aj4 h LEU 288 Ca -0.18 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.70 2aj4 h LEU 288 Cb 2.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.54 2aj4 h LEU 288 CO 0.21 0.68 0.20 0.00 0.09 0.00 0.00 178.44 179.62 2aj4 h ALA 289 N 1.17 0.40 -0.06 1.53 0.00 -1.27 0.26 119.26 121.28 2aj4 h ALA 289 Ca 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2aj4 h ALA 289 Cb 0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2aj4 h ALA 289 CO -0.04 -0.15 0.02 0.00 0.00 0.00 0.00 179.25 179.08 2aj4 h ALA 290 N 1.13 0.08 -0.83 0.00 0.00 -1.12 -0.65 119.26 117.87 2aj4 h ALA 290 Ca 0.12 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.08 2aj4 h ALA 290 Cb -0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2aj4 h ALA 290 CO -0.04 -0.30 0.55 1.15 0.00 0.00 0.00 179.25 180.61 2aj4 h THR 291 N -0.10 0.75 -0.09 0.00 2.02 -0.20 -1.95 112.91 113.33 2aj4 h THR 291 Ca 0.02 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.05 2aj4 h THR 291 Cb 0.23 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2aj4 h THR 291 CO -0.00 0.08 0.00 -1.22 0.37 0.00 0.00 175.52 174.75 2aj4 n TYR 292 N -4.50 0.10 -1.24 3.16 4.01 0.88 -4.95 117.16 114.63 2aj4 n TYR 292 Ca 0.17 -0.05 -0.03 0.00 -0.16 0.00 0.00 57.90 57.82 2aj4 n TYR 292 Cb 0.59 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.61 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 1.25 0.59 3.84 2.72 0.00 -0.33 -5.04 105.19 108.22 2aj4 n GLY 293 Ca 0.17 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.13 2.00 -0.14 1.61 -7.23 -0.84 -5.04 120.40 108.62 2aj4 s VAL 294 Ca 0.00 -1.57 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 2aj4 s VAL 294 Cb 0.00 -2.56 0.02 0.00 0.56 0.00 0.00 36.38 34.40 2aj4 s VAL 294 CO 0.00 0.00 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.95 2aj4 s VAL 295 N -2.67 1.59 0.11 1.32 1.01 -1.26 -4.42 120.40 116.07 2aj4 s VAL 295 Ca 0.37 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 61.45 2aj4 s VAL 295 Cb -0.00 -1.47 -0.07 0.00 0.00 0.00 0.00 36.38 34.83 2aj4 s VAL 295 CO 0.21 0.46 1.68 -0.07 0.00 0.00 0.00 175.10 177.38 2aj4 h LEU 296 N 7.84 -0.40 0.00 3.92 3.38 -1.96 -3.49 115.31 124.60 2aj4 h LEU 296 Ca -0.36 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2aj4 h LEU 296 Cb 1.15 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2aj4 h LEU 296 CO 0.52 -0.19 0.00 0.18 0.09 0.00 0.00 178.44 179.04 2aj4 n LEU 297 N -5.27 0.00 -1.86 1.67 4.77 -1.26 -4.85 117.00 110.20 2aj4 n LEU 297 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2aj4 n LEU 297 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2aj4 n LEU 297 CO 0.26 0.00 -0.48 0.59 -1.33 0.00 0.00 177.39 176.43 2aj4 n ASN 306 N 0.00 -9.50 -4.38 -1.43 3.02 -1.26 -5.17 115.26 96.55 2aj4 n ASN 306 Ca 0.00 1.36 -0.30 0.00 -0.03 0.00 0.00 54.58 55.60 2aj4 n ASN 306 Cb 0.00 -5.10 -0.14 0.00 -0.61 0.00 0.00 39.78 33.93 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 -2.24 1.87 1.14 3.52 -0.14 -1.26 -5.11 119.74 117.53 2aj4 s LYS 307 Ca 0.00 -1.08 -0.14 0.00 -1.36 0.00 0.00 55.97 53.40 2aj4 s LYS 307 Cb 0.00 -2.04 0.27 0.00 -1.68 0.00 0.00 37.83 34.38 2aj4 s LYS 307 CO 0.00 0.52 1.04 0.20 -0.76 0.00 0.00 175.35 176.35 2aj4 s GLY 308 N -1.29 1.54 0.20 -3.33 0.00 -1.26 -5.05 107.32 98.12 2aj4 s GLY 308 Ca 0.12 -0.34 0.01 0.00 0.00 0.00 0.00 44.72 44.51 2aj4 s GLY 308 CO 0.03 0.39 0.08 1.16 0.00 0.00 0.00 173.10 174.76 2aj4 n ASN 309 N -4.75 2.03 0.11 1.64 0.23 -1.26 -4.66 115.26 108.60 2aj4 n ASN 309 Ca 0.05 -1.75 0.01 0.00 -0.53 0.00 0.00 54.58 52.35 2aj4 n ASN 309 Cb 0.56 0.05 0.33 0.00 -2.08 0.00 0.00 39.78 38.64 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 0.23 -0.24 -4.53 3.38 -1.84 -2.22 115.31 110.09 2aj4 h LEU 310 Ca -0.14 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.63 2aj4 h LEU 310 Cb 0.47 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2aj4 h LEU 310 CO 0.23 0.47 -0.38 -0.09 0.09 0.00 0.00 178.44 178.75 2aj4 h ARG 311 N 0.22 0.68 -0.16 1.13 2.43 -1.96 -2.35 114.38 114.36 2aj4 h ARG 311 Ca 0.04 -0.41 0.04 0.00 -0.81 0.00 0.00 59.98 58.84 2aj4 h ARG 311 Cb 0.52 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.07 2aj4 h ARG 311 CO 0.04 1.03 -0.12 -0.44 -1.51 0.00 0.00 179.97 178.97 2aj4 h ASP 312 N 0.40 -0.39 -0.54 -3.80 3.32 -1.79 -0.14 116.42 113.48 2aj4 h ASP 312 Ca 0.02 0.08 0.10 0.00 0.02 0.00 0.00 57.03 57.25 2aj4 h ASP 312 Cb 0.97 0.20 -0.08 0.00 0.22 0.00 0.00 39.33 40.64 2aj4 h ASP 312 CO 0.09 -0.16 0.09 0.15 -1.72 0.00 0.00 179.24 177.69 2aj4 h PHE 313 N -0.13 0.14 -0.42 4.55 3.57 -1.33 0.21 116.94 123.53 2aj4 h PHE 313 Ca 0.10 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.72 2aj4 h PHE 313 Cb 0.27 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.96 2aj4 h PHE 313 CO -0.26 -0.04 -0.11 1.98 -2.23 0.00 0.00 178.31 177.65 2aj4 h MET 314 N 0.22 -0.01 -0.64 1.11 4.05 -0.78 0.22 114.93 119.10 2aj4 h MET 314 Ca 0.28 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.66 2aj4 h MET 314 Cb 0.40 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 2aj4 h MET 314 CO -0.38 -0.00 0.23 -0.91 0.23 0.00 0.00 176.91 176.08 2aj4 h ASN 315 N -0.01 0.91 -0.26 1.39 2.35 0.39 -1.99 115.58 118.36 2aj4 h ASN 315 Ca 0.20 -0.19 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 2aj4 h ASN 315 Cb 0.31 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 2aj4 h ASN 315 CO -0.43 0.85 -0.27 0.58 -1.65 0.00 0.00 177.43 176.51 2aj4 h VAL 316 N 0.91 1.31 0.40 2.81 2.07 -0.15 0.12 116.25 123.72 2aj4 h VAL 316 Ca 0.21 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 2aj4 h VAL 316 Cb 0.24 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 2aj4 h VAL 316 CO -0.01 0.45 -0.50 0.22 0.02 0.00 0.00 177.57 177.75 2aj4 h TYR 317 N 0.37 -1.40 -0.26 1.57 3.20 -0.50 0.06 116.97 120.01 2aj4 h TYR 317 Ca 0.04 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.00 2aj4 h TYR 317 Cb 0.83 0.56 -0.01 0.00 1.54 0.00 0.00 36.73 39.65 2aj4 h TYR 317 CO 0.07 -0.64 0.30 1.88 -1.64 0.00 0.00 178.16 178.13 2aj4 h TYR 318 N -0.92 0.00 0.08 -3.82 -1.99 -1.28 -0.88 116.97 108.16 2aj4 h TYR 318 Ca -0.05 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.53 2aj4 h TYR 318 Cb 0.82 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.57 2aj4 h TYR 318 CO -0.30 0.00 -0.63 0.00 -0.00 0.00 0.00 178.16 177.23 2aj4 h ALA 319 N 1.65 -0.03 -0.08 3.88 0.00 0.54 0.61 119.26 125.83 2aj4 h ALA 319 Ca 0.12 -0.62 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 2aj4 h ALA 319 Cb 0.71 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2aj4 h ALA 319 CO -0.00 0.31 -0.82 -0.09 0.00 0.00 0.00 179.25 178.65 2aj4 h ARG 320 N -0.37 0.58 0.00 0.00 9.65 0.01 -2.53 114.38 121.72 2aj4 h ARG 320 Ca -0.10 -0.51 0.00 0.00 -1.10 0.00 0.00 59.98 58.27 2aj4 h ARG 320 Cb 1.44 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 30.13 2aj4 h ARG 320 CO 0.12 1.14 -1.37 0.66 2.80 0.00 0.00 179.97 183.31 2aj4 n TYR 321 N -3.86 0.00 0.19 2.20 4.02 -0.44 -4.44 117.16 114.83 2aj4 n TYR 321 Ca -0.07 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.88 2aj4 n TYR 321 Cb 0.76 -0.21 0.10 0.00 -0.02 0.00 0.00 39.34 39.97 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 -1.80 0.21 -3.94 -0.72 8.25 -1.03 -4.98 115.22 111.22 2aj4 n HIS 322 Ca -0.02 -0.22 -0.27 0.00 -0.26 0.00 0.00 57.72 56.95 2aj4 n HIS 322 Cb 0.25 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.34 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 0.60 -1.74 -4.14 0.41 3.02 -0.88 -4.91 115.26 107.61 2aj4 n ASN 323 Ca 0.09 -0.93 -0.38 0.00 -0.03 0.00 0.00 54.58 53.33 2aj4 n ASN 323 Cb 0.35 -3.34 -0.10 0.00 -0.61 0.00 0.00 39.78 36.08 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 -3.68 3.72 0.11 2.41 1.01 0.15 -4.94 121.20 119.99 2aj4 s ILE 324 Ca 0.24 -2.25 -0.21 0.00 0.00 0.00 0.00 60.65 58.42 2aj4 s ILE 324 Cb -0.13 -3.48 -0.07 0.00 0.01 0.00 0.00 42.46 38.80 2aj4 s ILE 324 CO 0.87 -0.78 1.71 0.28 0.00 0.00 0.00 174.94 177.03 2aj4 h SER 325 N 7.86 -0.14 -3.21 3.58 0.02 -1.84 -3.31 113.55 116.51 2aj4 h SER 325 Ca -0.11 0.04 -0.57 0.00 -0.84 0.00 0.00 61.79 60.32 2aj4 h SER 325 Cb 1.03 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.61 2aj4 h SER 325 CO 0.74 -0.05 0.62 -0.89 -1.14 0.00 0.00 176.83 176.11 2aj4 s THR 326 N -6.20 4.76 0.46 -2.27 2.01 -1.26 -5.00 115.64 108.14 2aj4 s THR 326 Ca -0.13 2.02 -0.25 0.00 0.31 0.00 0.00 61.69 63.64 2aj4 s THR 326 Cb 0.09 -4.31 -0.08 0.00 0.01 0.00 0.00 72.50 68.21 2aj4 s THR 326 CO 0.67 -0.05 1.43 -2.84 -0.69 0.00 0.00 174.62 173.15 2aj4 s PRO 327 N 2.35 3.63 0.17 4.92 0.02 -1.26 -4.85 135.00 139.97 2aj4 s PRO 327 Ca 0.47 2.42 -0.32 0.00 0.02 0.00 0.00 61.00 63.59 2aj4 s PRO 327 Cb -0.17 -2.62 -0.17 0.00 0.02 0.00 0.00 34.50 31.56 2aj4 s PRO 327 CO 0.14 -0.86 0.93 1.87 -0.33 0.00 0.00 177.00 178.75 2aj4 n TRP 328 N -0.27 0.63 0.66 6.54 -0.00 -1.26 -4.87 117.44 118.87 2aj4 n TRP 328 Ca 0.06 0.84 0.10 0.00 -0.00 0.00 0.00 57.50 58.50 2aj4 n TRP 328 Cb 0.42 -2.14 -0.11 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 1.81 0.66 0.00 5.87 6.94 -1.26 -4.48 115.26 124.80 2aj4 n ASN 329 Ca 0.16 -0.61 0.00 0.00 -0.02 0.00 0.00 54.58 54.11 2aj4 n ASN 329 Cb 0.23 1.24 0.00 0.00 -2.36 0.00 0.00 39.78 38.89 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 1.42 0.71 3.65 4.83 0.00 -1.26 -4.57 105.19 109.97 2aj4 n GLY 330 Ca 0.02 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.50 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 2.62 -0.09 1.61 2.03 -1.26 -4.80 116.55 116.66 2aj4 n ASP 331 Ca 0.00 0.93 -0.13 0.00 0.52 0.00 0.00 54.79 56.11 2aj4 n ASP 331 Cb 0.00 -1.22 -0.08 0.00 -0.72 0.00 0.00 41.12 39.10 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 5.65 0.05 -0.37 5.18 2.04 -1.97 0.18 117.51 128.26 2aj4 h ILE 332 Ca -0.43 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.49 2aj4 h ILE 332 Cb 1.31 0.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 2aj4 h ILE 332 CO 0.97 0.00 0.02 -0.33 0.00 0.00 0.00 178.15 178.81 2aj4 h GLU 333 N -0.43 0.12 0.00 2.37 5.08 -1.98 0.15 114.58 119.89 2aj4 h GLU 333 Ca 0.08 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2aj4 h GLU 333 Cb 0.62 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2aj4 h GLU 333 CO -0.54 0.08 0.00 0.66 -1.00 0.00 0.00 179.01 178.22 2aj4 h SER 334 N 0.13 0.00 -0.04 1.42 4.64 -1.89 -3.01 113.55 114.80 2aj4 h SER 334 Ca 0.18 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.38 2aj4 h SER 334 Cb 0.24 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.34 2aj4 h SER 334 CO -0.28 0.00 -0.43 1.23 -0.87 0.00 0.00 176.83 176.48 2aj4 h GLY 335 N 3.02 0.39 1.57 -0.77 0.00 0.17 -2.74 103.07 104.72 2aj4 h GLY 335 Ca 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 2aj4 h GLY 335 CO 0.00 0.55 0.15 -2.22 0.00 0.00 0.00 176.54 175.02 2aj4 h ILE 336 N -0.17 1.16 0.40 2.60 2.04 -0.73 -1.80 117.51 121.01 2aj4 h ILE 336 Ca -0.04 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 2aj4 h ILE 336 Cb 1.12 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2aj4 h ILE 336 CO 0.09 0.19 -0.19 -0.08 0.00 0.00 0.00 178.15 178.16 2aj4 h GLU 337 N 0.56 -0.51 -0.33 2.37 4.81 -1.58 -2.67 114.58 117.23 2aj4 h GLU 337 Ca 0.14 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2aj4 h GLU 337 Cb 0.13 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2aj4 h GLU 337 CO -0.01 -0.21 0.22 0.00 -0.73 0.00 0.00 179.01 178.28 2aj4 h ARG 338 N -0.84 0.43 -0.12 1.92 3.08 -1.29 -1.50 114.38 116.07 2aj4 h ARG 338 Ca -0.05 -0.03 -0.18 0.00 0.07 0.00 0.00 59.98 59.79 2aj4 h ARG 338 Cb 0.54 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 2aj4 h ARG 338 CO 0.09 0.29 -0.68 -0.07 -1.07 0.00 0.00 179.97 178.53 2aj4 h LEU 339 N 0.45 0.59 -0.30 3.04 3.38 -1.37 -0.21 115.31 120.88 2aj4 h LEU 339 Ca 0.12 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 2aj4 h LEU 339 Cb -0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2aj4 h LEU 339 CO -0.03 1.10 0.10 0.74 0.09 0.00 0.00 178.44 180.45 2aj4 h THR 340 N 0.36 1.20 -0.07 0.22 2.02 -1.10 0.10 112.91 115.63 2aj4 h THR 340 Ca -0.02 -0.62 0.04 0.00 0.77 0.00 0.00 66.41 66.58 2aj4 h THR 340 Cb 1.25 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 68.65 2aj4 h THR 340 CO 0.12 0.21 -0.28 0.50 0.37 0.00 0.00 175.52 176.45 2aj4 h LYS 341 N 0.33 -0.36 -0.70 6.66 1.63 -1.02 -1.77 116.57 121.33 2aj4 h LYS 341 Ca 0.10 0.02 0.15 0.00 -0.85 0.00 0.00 60.65 60.07 2aj4 h LYS 341 Cb 0.23 0.08 -0.11 0.00 -0.60 0.00 0.00 32.23 31.83 2aj4 h LYS 341 CO -0.00 -0.24 0.07 0.52 -3.45 0.00 0.00 179.45 176.34 2aj4 h MET 342 N -0.38 0.17 -0.79 1.90 2.86 -0.37 0.23 114.93 118.55 2aj4 h MET 342 Ca 0.08 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.81 2aj4 h MET 342 Cb 0.50 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.07 2aj4 h MET 342 CO -0.29 0.11 0.51 -0.07 1.06 0.00 0.00 176.91 178.23 2aj4 h LEU 343 N 0.17 0.65 0.18 1.22 3.38 0.04 -1.16 115.31 119.79 2aj4 h LEU 343 Ca 0.38 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 2aj4 h LEU 343 Cb 0.65 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2aj4 h LEU 343 CO -0.56 0.39 -0.09 0.58 0.09 0.00 0.00 178.44 178.86 2aj4 h VAL 344 N 0.72 0.87 -0.79 1.22 2.07 -0.01 -2.34 116.25 118.00 2aj4 h VAL 344 Ca 0.36 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.71 2aj4 h VAL 344 Cb 0.44 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 2aj4 h VAL 344 CO -0.14 0.06 0.46 -0.07 0.02 0.00 0.00 177.57 177.90 2aj4 h LEU 345 N -0.37 0.67 -0.30 2.57 3.38 -0.88 0.87 115.31 121.26 2aj4 h LEU 345 Ca -0.03 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2aj4 h LEU 345 Cb 0.29 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2aj4 h LEU 345 CO 0.04 0.41 0.19 0.58 0.09 0.00 0.00 178.44 179.75 2aj4 h VAL 346 N 0.80 1.08 -0.87 1.22 2.07 -1.06 0.21 116.25 119.71 2aj4 h VAL 346 Ca 0.37 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.73 2aj4 h VAL 346 Cb 0.28 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 2aj4 h VAL 346 CO -0.22 0.08 0.58 -0.08 0.02 0.00 0.00 177.57 177.95 2aj4 h GLU 347 N 0.39 1.14 -0.33 1.57 4.57 -0.85 0.47 114.58 121.54 2aj4 h GLU 347 Ca 0.11 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 2aj4 h GLU 347 Cb -0.03 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.29 2aj4 h GLU 347 CO -0.02 0.76 0.02 1.49 -1.18 0.00 0.00 179.01 180.07 2aj4 h GLU 348 N 1.18 0.58 0.02 1.92 4.81 -0.08 -3.29 114.58 119.72 2aj4 h GLU 348 Ca 0.32 -0.17 -0.38 0.00 -0.13 0.00 0.00 59.36 58.99 2aj4 h GLU 348 Cb -0.14 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.12 2aj4 h GLU 348 CO -0.07 0.69 -2.39 -1.13 -0.73 0.00 0.00 179.01 175.38 2aj4 n SER 349 N -4.55 1.66 -0.03 1.04 3.41 0.66 -4.68 113.62 111.13 2aj4 n SER 349 Ca -0.02 -0.06 0.06 0.00 -0.26 0.00 0.00 58.87 58.59 2aj4 n SER 349 Cb 0.25 -0.24 -0.16 0.00 -0.26 0.00 0.00 64.21 63.81 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 -3.20 0.06 0.01 1.04 4.77 0.16 -4.50 117.00 115.33 2aj4 n LEU 350 Ca -0.41 0.02 0.23 0.00 -0.03 0.00 0.00 56.01 55.82 2aj4 n LEU 350 Cb 1.03 0.12 0.72 0.00 -2.33 0.00 0.00 43.42 42.96 2aj4 n LEU 350 CO 0.31 0.12 1.20 0.00 -1.33 0.00 0.00 177.39 177.69 2aj4 h ALA 351 N 1.74 2.36 0.00 -1.18 0.00 -1.57 -1.89 119.26 118.73 2aj4 h ALA 351 Ca -0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2aj4 h ALA 351 Cb 1.31 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2aj4 h ALA 351 CO 0.01 -0.81 -0.03 -2.95 0.00 0.00 0.00 179.25 175.47 2aj4 h ASN 352 N 0.00 0.00 -1.31 0.00 -1.07 -1.84 -2.92 115.58 108.44 2aj4 h ASN 352 Ca 0.27 0.00 -0.68 0.00 0.07 0.00 0.00 56.30 55.96 2aj4 h ASN 352 Cb 1.30 0.00 -0.32 0.00 -2.07 0.00 0.00 38.32 37.23 2aj4 h ASN 352 CO -0.00 0.03 0.48 0.29 0.07 0.00 0.00 177.43 178.30 2aj4 n LYS 353 N -4.25 2.94 0.00 4.14 5.02 -0.71 -4.76 118.16 120.54 2aj4 n LYS 353 Ca -0.03 -3.63 0.23 0.00 -2.02 0.00 0.00 58.31 52.86 2aj4 n LYS 353 Cb 0.11 -2.28 0.67 0.00 -0.02 0.00 0.00 35.03 33.51 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 2.39 0.00 0.00 1.97 1.57 -1.69 0.41 116.57 121.21 2aj4 h LYS 354 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 2aj4 h LYS 354 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2aj4 h LYS 354 CO 1.33 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 181.25 2aj4 n GLN 355 N -3.57 0.14 0.00 3.15 6.02 -1.26 -4.95 117.38 116.91 2aj4 n GLN 355 Ca 0.12 0.30 0.00 0.00 -0.01 0.00 0.00 57.00 57.41 2aj4 n GLN 355 Cb 0.88 -1.73 0.00 0.00 1.02 0.00 0.00 30.24 30.41 2aj4 n GLN 355 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2aj4 n GLY 356 N 0.37 2.50 3.81 1.08 0.00 0.14 -4.95 105.19 108.15 2aj4 n GLY 356 Ca 0.04 -1.75 -0.36 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.04 3.54 0.68 1.61 0.40 0.21 -4.77 117.98 117.61 2aj4 s PHE 357 Ca 0.00 0.53 -0.06 0.00 -0.60 0.00 0.00 56.93 56.80 2aj4 s PHE 357 Cb 0.00 -2.09 0.05 0.00 0.51 0.00 0.00 43.02 41.50 2aj4 s PHE 357 CO 0.00 0.54 0.99 -1.54 0.70 0.00 0.00 175.22 175.91 2aj4 s SER 358 N -0.45 4.93 0.38 1.36 1.04 -1.26 0.01 113.70 119.71 2aj4 s SER 358 Ca 0.14 0.46 0.05 0.00 0.48 0.00 0.00 55.95 57.08 2aj4 s SER 358 Cb -0.12 -1.16 0.75 0.00 0.10 0.00 0.00 66.02 65.59 2aj4 s SER 358 CO 0.03 -1.51 2.03 0.58 0.98 0.00 0.00 173.24 175.35 2aj4 h VAL 359 N -0.51 1.13 0.03 5.02 2.07 -1.99 0.13 116.25 122.14 2aj4 h VAL 359 Ca -0.44 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 2aj4 h VAL 359 Cb 1.31 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2aj4 h VAL 359 CO 0.60 0.13 -0.02 0.44 0.02 0.00 0.00 177.57 178.74 2aj4 h ASP 360 N 0.68 -0.04 -0.78 0.57 3.32 -1.97 0.16 116.42 118.37 2aj4 h ASP 360 Ca 0.18 -0.15 0.13 0.00 0.02 0.00 0.00 57.03 57.21 2aj4 h ASP 360 Cb -0.06 0.01 -0.09 0.00 0.22 0.00 0.00 39.33 39.41 2aj4 h ASP 360 CO -0.04 0.13 0.38 0.44 -1.72 0.00 0.00 179.24 178.43 2aj4 h ASP 361 N -0.21 0.46 0.32 6.45 3.32 -1.58 -1.54 116.42 123.64 2aj4 h ASP 361 Ca -0.00 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 2aj4 h ASP 361 Cb 0.19 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2aj4 h ASP 361 CO 0.01 0.22 -0.16 0.58 -1.72 0.00 0.00 179.24 178.17 2aj4 h VAL 362 N 0.58 0.70 -0.75 -1.35 2.07 -0.33 -2.43 116.25 114.75 2aj4 h VAL 362 Ca 0.41 -0.32 0.16 0.00 0.82 0.00 0.00 66.70 67.77 2aj4 h VAL 362 Cb 0.54 0.87 -0.10 0.00 -1.52 0.00 0.00 31.29 31.08 2aj4 h VAL 362 CO -0.34 0.07 0.24 0.00 0.02 0.00 0.00 177.57 177.56 2aj4 h ALA 363 N 0.01 1.03 0.12 1.67 0.00 -0.09 0.11 119.26 122.11 2aj4 h ALA 363 Ca -0.04 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2aj4 h ALA 363 Cb 0.44 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2aj4 h ALA 363 CO 0.07 -0.29 -0.06 0.37 0.00 0.00 0.00 179.25 179.35 2aj4 h GLN 364 N 0.35 -0.16 -0.76 0.00 4.15 -1.27 0.32 115.11 117.74 2aj4 h GLN 364 Ca 0.42 0.01 0.15 0.00 0.77 0.00 0.00 58.65 60.01 2aj4 h GLN 364 Cb 0.70 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.38 2aj4 h GLN 364 CO -0.46 -0.06 0.51 0.77 -1.93 0.00 0.00 178.83 177.65 2aj4 h SER 365 N -0.22 0.39 0.09 -0.69 0.02 -0.75 0.37 113.55 112.76 2aj4 h SER 365 Ca -0.02 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2aj4 h SER 365 Cb 0.17 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2aj4 h SER 365 CO 0.03 0.20 -0.26 0.18 -1.14 0.00 0.00 176.83 175.84 2aj4 n LEU 366 N -4.48 1.62 -2.89 5.07 4.77 -0.08 -4.73 117.00 116.29 2aj4 n LEU 366 Ca 0.15 -0.53 -0.02 0.00 -0.03 0.00 0.00 56.01 55.57 2aj4 n LEU 366 Cb 0.54 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.59 2aj4 n LEU 366 CO 0.33 0.29 0.26 0.59 -1.33 0.00 0.00 177.39 177.53 2aj4 n ASN 367 N -0.11 -6.92 -3.81 -1.43 4.13 0.12 -5.00 115.26 102.24 2aj4 n ASN 367 Ca 0.13 -0.14 -0.09 0.00 1.68 0.00 0.00 54.58 56.15 2aj4 n ASN 367 Cb 0.41 -4.75 -0.06 0.00 -1.54 0.00 0.00 39.78 33.85 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 -2.87 6.27 0.28 0.00 1.04 -1.26 -4.30 113.70 112.85 2aj4 s SER 369 Ca 0.08 0.32 -0.01 0.00 0.48 0.00 0.00 55.95 56.82 2aj4 s SER 369 Cb 0.03 -1.95 0.63 0.00 0.10 0.00 0.00 66.02 64.83 2aj4 s SER 369 CO -0.08 0.27 1.64 0.03 0.98 0.00 0.00 173.24 176.08 2aj4 h ARG 370 N 3.93 0.15 0.00 4.02 3.08 -1.93 0.42 114.38 124.05 2aj4 h ARG 370 Ca -0.49 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.49 2aj4 h ARG 370 Cb 1.19 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 2aj4 h ARG 370 CO 0.67 0.10 -0.27 0.93 -1.07 0.00 0.00 179.97 180.33 2aj4 h GLU 371 N 0.16 0.00 0.02 0.04 3.07 -1.97 -0.44 114.58 115.45 2aj4 h GLU 371 Ca 0.51 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.37 2aj4 h GLU 371 Cb 1.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 2aj4 h GLU 371 CO -0.68 0.27 -0.01 0.93 -1.40 0.00 0.00 179.01 178.13 2aj4 h GLU 372 N 0.00 -0.02 -0.94 2.33 5.08 -0.58 0.28 114.58 120.73 2aj4 h GLU 372 Ca -0.00 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 2aj4 h GLU 372 Cb 0.51 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.70 2aj4 h GLU 372 CO 0.04 0.24 0.59 0.35 -1.00 0.00 0.00 179.01 179.22 2aj4 h PHE 373 N -0.28 1.09 0.61 4.33 3.57 -0.93 -1.34 116.94 123.98 2aj4 h PHE 373 Ca -0.00 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 2aj4 h PHE 373 Cb 0.27 -0.35 0.01 0.00 2.79 0.00 0.00 35.95 38.67 2aj4 h PHE 373 CO 0.01 0.53 -0.29 1.15 -2.23 0.00 0.00 178.31 177.48 2aj4 h THR 374 N 1.04 0.23 0.03 4.41 2.02 -0.83 1.19 112.91 121.00 2aj4 h THR 374 Ca 0.42 -0.33 0.03 0.00 0.77 0.00 0.00 66.41 67.30 2aj4 h THR 374 Cb 0.24 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 2aj4 h THR 374 CO -0.20 0.03 -0.41 0.03 0.37 0.00 0.00 175.52 175.35 2aj4 h ARG 375 N -1.08 -0.56 -0.72 6.66 3.08 -0.17 -0.70 114.38 120.89 2aj4 h ARG 375 Ca -0.08 0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.02 2aj4 h ARG 375 Cb 0.68 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.81 2aj4 h ARG 375 CO 0.14 -0.37 0.47 -0.44 -1.07 0.00 0.00 179.97 178.70 2aj4 h ASP 376 N -0.58 0.80 0.00 7.04 3.32 -1.27 -3.21 116.42 122.52 2aj4 h ASP 376 Ca 0.04 -0.01 -0.24 0.00 0.02 0.00 0.00 57.03 56.84 2aj4 h ASP 376 Cb 0.65 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 2aj4 h ASP 376 CO -0.29 0.57 -1.91 -1.22 -1.72 0.00 0.00 179.24 174.66 2aj4 n TYR 377 N -4.61 0.00 0.19 4.55 4.02 0.41 -4.73 117.16 116.99 2aj4 n TYR 377 Ca 0.07 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.05 2aj4 n TYR 377 Cb 0.04 -0.62 0.25 0.00 -0.02 0.00 0.00 39.34 38.99 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 -2.93 3.05 -0.08 7.72 4.77 -0.30 -4.54 117.00 124.69 2aj4 n LEU 378 Ca -0.28 -1.53 -0.09 0.00 -0.03 0.00 0.00 56.01 54.08 2aj4 n LEU 378 Cb 0.81 -0.38 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 2aj4 n LEU 378 CO 0.17 0.75 -0.99 0.35 -1.33 0.00 0.00 177.39 176.34 2aj4 n THR 379 N 1.14 0.92 -0.32 -5.08 -2.24 -1.06 -4.38 114.28 103.27 2aj4 n THR 379 Ca 0.19 -0.43 0.16 0.00 -2.27 0.00 0.00 64.05 61.70 2aj4 n THR 379 Cb 0.49 -0.92 0.33 0.00 -2.10 0.00 0.00 70.33 68.13 2aj4 n THR 379 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2aj4 h THR 380 N 0.00 0.16 -2.81 4.28 2.02 -1.80 -3.36 112.91 111.40 2aj4 h THR 380 Ca -0.36 -0.04 -0.21 0.00 0.77 0.00 0.00 66.41 66.57 2aj4 h THR 380 Cb 1.65 0.05 -0.32 0.00 -1.74 0.00 0.00 68.15 67.79 2aj4 h THR 380 CO -0.03 0.02 -0.52 -0.94 0.37 0.00 0.00 175.52 174.42 2aj4 s SER 381 N -4.98 0.34 0.11 4.18 1.04 -1.26 -5.12 113.70 108.02 2aj4 s SER 381 Ca -0.12 0.59 -0.34 0.00 0.48 0.00 0.00 55.95 56.57 2aj4 s SER 381 Cb 0.28 0.74 -0.13 0.00 0.10 0.00 0.00 66.02 67.02 2aj4 s SER 381 CO 0.78 -0.24 1.67 -0.81 0.98 0.00 0.00 173.24 175.61 2aj4 n PRO 382 N 5.35 2.27 -4.12 4.02 -0.04 -1.26 -4.89 135.00 136.34 2aj4 n PRO 382 Ca -0.06 0.82 -0.14 0.00 -0.04 0.00 0.00 63.50 64.08 2aj4 n PRO 382 Cb 0.50 -2.62 -0.11 0.00 -0.04 0.00 0.00 33.50 31.22 2aj4 n PRO 382 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2aj4 s VAL 383 N 1.72 0.76 -0.06 0.52 1.01 -1.26 -4.42 120.40 118.67 2aj4 s VAL 383 Ca 0.81 -1.30 0.04 0.00 0.00 0.00 0.00 61.98 61.53 2aj4 s VAL 383 Cb -0.65 -0.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 2aj4 s VAL 383 CO 0.40 -0.42 -0.18 -0.13 0.00 0.00 0.00 175.10 174.77 2aj4 s ARG 384 N -2.01 2.01 0.07 2.72 0.52 0.13 -5.01 118.95 117.37 2aj4 s ARG 384 Ca -0.04 -0.64 -0.27 0.00 -0.52 0.00 0.00 55.73 54.27 2aj4 s ARG 384 Cb -0.08 -1.68 0.09 0.00 0.52 0.00 0.00 34.95 33.81 2aj4 s ARG 384 CO 0.00 0.21 1.16 -0.59 0.02 0.00 0.00 175.30 176.10 2aj4 s PHE 385 N 0.18 -0.03 -0.08 -0.53 -0.12 -1.26 -4.57 117.98 111.57 2aj4 s PHE 385 Ca -0.08 -0.18 -0.02 0.00 -0.05 0.00 0.00 56.93 56.60 2aj4 s PHE 385 Cb -0.13 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 2aj4 s PHE 385 CO 0.04 -0.54 -0.09 1.04 -0.05 0.00 0.00 175.22 175.62 2aj4 n GLN 386 N -0.60 0.18 -4.32 1.99 6.02 -1.26 -5.05 117.38 114.35 2aj4 n GLN 386 Ca -0.05 0.06 -0.20 0.00 -0.01 0.00 0.00 57.00 56.80 2aj4 n GLN 386 Cb 0.61 -0.99 -0.11 0.00 1.02 0.00 0.00 30.24 30.77 2aj4 n GLN 386 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2aj4 s VAL 387 N -2.15 1.70 -0.20 5.09 0.11 -1.26 -4.52 120.40 119.17 2aj4 s VAL 387 Ca -0.11 -1.99 -0.02 0.00 -2.93 0.00 0.00 61.98 56.92 2aj4 s VAL 387 Cb 0.03 -1.87 -0.00 0.00 -1.53 0.00 0.00 36.38 33.02 2aj4 s VAL 387 CO 0.16 -0.44 -0.09 -0.76 -3.33 0.00 0.00 175.10 170.65 2aj4 s LEU 388 N -2.88 2.72 -1.36 2.54 1.43 0.10 -4.85 118.68 116.39 2aj4 s LEU 388 Ca 0.17 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 52.76 2aj4 s LEU 388 Cb -0.04 -1.67 0.10 0.00 0.03 0.00 0.00 46.19 44.62 2aj4 s LEU 388 CO 0.06 0.01 2.25 0.29 0.23 0.00 0.00 176.35 179.20 2aj4 n LYS 389 N 4.55 3.94 -0.27 1.70 5.02 -1.26 0.67 118.16 132.51 2aj4 n LYS 389 Ca -0.19 -3.24 0.03 0.00 -2.02 0.00 0.00 58.31 52.89 2aj4 n LYS 389 Cb 0.51 -2.83 0.17 0.00 -0.02 0.00 0.00 35.03 32.86 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 7.06 0.52 0.57 -0.35 3.38 -1.90 -2.24 115.31 122.35 2aj4 h LEU 390 Ca 0.59 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.60 2aj4 h LEU 390 Cb 0.46 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.19 2aj4 h LEU 390 CO 1.62 0.28 -0.27 0.22 0.09 0.00 0.00 178.44 180.37 2aj4 h TYR 391 N 0.65 -0.71 -0.32 1.13 5.03 -1.86 -3.00 116.97 117.89 2aj4 h TYR 391 Ca 0.39 -0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.76 2aj4 h TYR 391 Cb 0.44 0.23 -0.07 0.00 1.55 0.00 0.00 36.73 38.89 2aj4 h TYR 391 CO -0.10 -0.40 -0.17 1.96 -1.32 0.00 0.00 178.16 178.13 2aj4 h GLN 392 N -0.87 -0.12 -0.39 1.82 7.50 -1.82 -1.28 115.11 119.96 2aj4 h GLN 392 Ca -0.08 0.01 -0.02 0.00 0.50 0.00 0.00 58.65 59.06 2aj4 h GLN 392 Cb 0.63 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.16 2aj4 h GLN 392 CO 0.13 -0.08 0.17 0.00 -1.50 0.00 0.00 178.83 177.55 2aj4 h ARG 393 N -0.12 0.57 -0.11 1.46 2.47 -1.50 -1.03 114.38 116.12 2aj4 h ARG 393 Ca 0.17 -0.09 -0.00 0.00 -1.26 0.00 0.00 59.98 58.79 2aj4 h ARG 393 Cb 0.38 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 2aj4 h ARG 393 CO -0.40 0.52 0.06 0.00 0.56 0.00 0.00 179.97 180.71 2aj4 h ALA 394 N 1.02 0.14 -0.35 0.04 0.00 -1.36 0.13 119.26 118.88 2aj4 h ALA 394 Ca 0.13 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2aj4 h ALA 394 Cb 0.15 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 2aj4 h ALA 394 CO -0.01 -0.32 -0.00 -0.22 0.00 0.00 0.00 179.25 178.70 2aj4 h LYS 395 N 0.08 0.09 0.20 0.00 3.64 -1.15 -1.26 116.57 118.17 2aj4 h LYS 395 Ca 0.04 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2aj4 h LYS 395 Cb 0.08 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 2aj4 h LYS 395 CO -0.01 0.06 -0.37 1.25 -2.27 0.00 0.00 179.45 178.12 2aj4 h HIS 396 N 0.10 -1.01 -0.31 1.91 2.76 -0.65 -0.17 115.15 117.79 2aj4 h HIS 396 Ca 0.17 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.42 2aj4 h HIS 396 Cb 0.23 0.42 -0.08 0.00 1.55 0.00 0.00 27.41 29.53 2aj4 h HIS 396 CO -0.25 -0.48 -0.40 0.28 -1.30 0.00 0.00 177.93 175.78 2aj4 h VAL 397 N -0.65 0.16 -0.15 5.26 2.07 -0.09 0.87 116.25 123.72 2aj4 h VAL 397 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2aj4 h VAL 397 Cb 0.64 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2aj4 h VAL 397 CO -0.17 0.00 0.06 1.88 0.02 0.00 0.00 177.57 179.36 2aj4 h TYR 398 N -0.36 0.24 -0.25 1.57 0.05 -1.18 -1.34 116.97 115.69 2aj4 h TYR 398 Ca 0.12 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 2aj4 h TYR 398 Cb 0.58 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 2aj4 h TYR 398 CO -0.55 0.32 0.13 0.66 -1.05 0.00 0.00 178.16 177.66 2aj4 h SER 399 N 0.09 0.32 -0.56 3.88 4.64 -0.50 -2.16 113.55 119.26 2aj4 h SER 399 Ca 0.05 -0.11 0.07 0.00 -0.47 0.00 0.00 61.79 61.33 2aj4 h SER 399 Cb 0.18 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 62.13 2aj4 h SER 399 CO -0.00 0.34 0.25 -0.08 -0.87 0.00 0.00 176.83 176.47 2aj4 h GLU 400 N 0.28 0.45 -0.56 4.77 4.57 0.92 -1.23 114.58 123.79 2aj4 h GLU 400 Ca 0.09 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.26 2aj4 h GLU 400 Cb 0.10 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 2aj4 h GLU 400 CO -0.01 0.30 0.37 0.77 -1.18 0.00 0.00 179.01 179.26 2aj4 h SER 401 N 0.47 0.59 -0.25 1.04 0.02 -0.99 -1.15 113.55 113.28 2aj4 h SER 401 Ca 0.27 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 2aj4 h SER 401 Cb 0.25 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2aj4 h SER 401 CO -0.23 0.41 0.13 0.25 -1.14 0.00 0.00 176.83 176.25 2aj4 h LEU 402 N 0.69 0.32 -1.13 5.07 5.85 -0.61 -2.12 115.31 123.37 2aj4 h LEU 402 Ca 0.22 -0.11 0.12 0.00 0.84 0.00 0.00 57.88 58.95 2aj4 h LEU 402 Cb 0.02 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 40.89 2aj4 h LEU 402 CO -0.05 0.34 0.60 0.03 -0.34 0.00 0.00 178.44 179.01 2aj4 h ARG 403 N 0.28 0.85 0.20 1.25 3.08 -0.20 0.24 114.38 120.08 2aj4 h ARG 403 Ca 0.09 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2aj4 h ARG 403 Cb 0.10 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2aj4 h ARG 403 CO -0.01 0.57 -0.13 0.28 -1.07 0.00 0.00 179.97 179.60 2aj4 h VAL 404 N 0.88 0.72 -0.64 2.04 2.07 -0.78 0.13 116.25 120.67 2aj4 h VAL 404 Ca 0.47 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.12 2aj4 h VAL 404 Cb 0.54 0.72 -0.10 0.00 -1.52 0.00 0.00 31.29 30.93 2aj4 h VAL 404 CO -0.23 0.00 0.10 -0.07 0.02 0.00 0.00 177.57 177.39 2aj4 h LEU 405 N -0.33 -0.08 -1.03 2.57 3.38 -0.36 0.34 115.31 119.80 2aj4 h LEU 405 Ca -0.02 0.13 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2aj4 h LEU 405 Cb 0.28 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2aj4 h LEU 405 CO 0.01 -0.04 -0.12 0.11 0.09 0.00 0.00 178.44 178.49 2aj4 h LYS 406 N 0.22 0.55 0.11 1.13 1.57 -0.91 -2.66 116.57 116.58 2aj4 h LYS 406 Ca 0.35 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 2aj4 h LYS 406 Cb 0.55 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2aj4 h LYS 406 CO -0.47 0.67 -0.13 0.00 -0.57 0.00 0.00 179.45 178.95 2aj4 h ALA 407 N 1.36 -0.23 -0.02 3.86 0.00 0.24 -1.27 119.26 123.19 2aj4 h ALA 407 Ca 0.09 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2aj4 h ALA 407 Cb 0.51 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2aj4 h ALA 407 CO 0.03 -0.65 -0.29 0.28 0.00 0.00 0.00 179.25 178.62 2aj4 h VAL 408 N -0.27 0.00 -0.81 0.00 2.07 -0.83 -1.48 116.25 114.92 2aj4 h VAL 408 Ca 0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.64 2aj4 h VAL 408 Cb 0.27 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.92 2aj4 h VAL 408 CO -0.05 0.00 -0.38 0.29 0.02 0.00 0.00 177.57 177.46 2aj4 n LYS 409 N -4.09 -0.25 -0.12 1.57 5.02 -1.01 -0.23 118.16 119.04 2aj4 n LYS 409 Ca -0.04 1.25 -0.05 0.00 -2.02 0.00 0.00 58.31 57.45 2aj4 n LYS 409 Cb 0.21 -1.84 0.01 0.00 -0.02 0.00 0.00 35.03 33.39 2aj4 n LYS 409 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2aj4 h LEU 410 N 0.00 -0.54 0.00 -0.35 3.38 -0.31 0.08 115.31 117.57 2aj4 h LEU 410 Ca 0.23 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2aj4 h LEU 410 Cb 0.43 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2aj4 h LEU 410 CO -0.79 -0.19 0.00 0.23 0.09 0.00 0.00 178.44 177.78 2aj4 n MET 411 N -5.35 0.97 0.00 1.13 2.81 0.67 -4.11 117.12 113.24 2aj4 n MET 411 Ca 0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 2aj4 n MET 411 Cb 0.26 -1.07 0.00 0.00 -0.71 0.00 0.00 33.22 31.70 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 -0.57 0.00 -1.28 2.03 -1.04 -0.55 -4.48 114.28 108.38 2aj4 n THR 412 Ca 0.03 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.96 2aj4 n THR 412 Cb 0.02 -0.18 0.22 0.00 -1.82 0.00 0.00 70.33 68.56 2aj4 n THR 412 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2aj4 n THR 413 N -1.83 2.77 -0.09 12.58 -1.04 -0.07 -5.06 114.28 121.53 2aj4 n THR 413 Ca 0.00 -2.26 -0.12 0.00 -2.04 0.00 0.00 64.05 59.63 2aj4 n THR 413 Cb 0.15 -0.36 -0.04 0.00 -1.82 0.00 0.00 70.33 68.25 2aj4 n THR 413 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2aj4 n ASP 419 N -0.93 1.89 0.27 8.00 9.92 -1.26 -4.69 116.55 129.75 2aj4 n ASP 419 Ca 0.41 0.45 0.17 0.00 -0.53 0.00 0.00 54.79 55.29 2aj4 n ASP 419 Cb 1.25 -0.82 0.93 0.00 -0.64 0.00 0.00 41.12 41.84 2aj4 n ASP 419 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2aj4 h GLU 420 N -1.00 0.00 -1.15 -1.24 4.81 -2.05 -1.99 114.58 111.96 2aj4 h GLU 420 Ca -0.14 0.00 0.34 0.00 -0.13 0.00 0.00 59.36 59.43 2aj4 h GLU 420 Cb 0.94 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.21 2aj4 h GLU 420 CO -0.08 0.00 0.74 -0.44 -0.73 0.00 0.00 179.01 178.50 2aj4 h ASP 421 N 0.00 0.36 0.01 1.04 5.19 -2.05 0.18 116.42 121.15 2aj4 h ASP 421 Ca 0.03 0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 56.55 2aj4 h ASP 421 Cb 0.20 0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.77 2aj4 h ASP 421 CO -0.00 -0.03 -0.00 0.15 -3.12 0.00 0.00 179.24 176.24 2aj4 h PHE 422 N 0.26 -0.01 -1.03 4.55 3.57 -1.79 -2.86 116.94 119.64 2aj4 h PHE 422 Ca 0.69 -0.00 0.27 0.00 3.53 0.00 0.00 57.97 62.46 2aj4 h PHE 422 Cb 1.96 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 40.63 2aj4 h PHE 422 CO -0.00 0.34 0.70 0.74 -2.23 0.00 0.00 178.31 177.85 2aj4 h PHE 423 N -1.00 0.36 0.01 0.41 -1.00 -1.45 0.61 116.94 114.88 2aj4 h PHE 423 Ca -0.00 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.76 2aj4 h PHE 423 Cb 0.35 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.81 2aj4 h PHE 423 CO 0.10 0.05 -0.11 0.87 -1.61 0.00 0.00 178.31 177.60 2aj4 h LYS 424 N 0.23 0.06 0.16 1.51 1.57 -0.77 -1.70 116.57 117.64 2aj4 h LYS 424 Ca 0.54 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.23 2aj4 h LYS 424 Cb 1.67 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.00 2aj4 h LYS 424 CO -0.16 0.90 -0.08 1.96 -0.57 0.00 0.00 179.45 181.50 2aj4 h GLN 425 N -0.73 -0.21 -0.71 3.15 4.20 -1.14 -0.81 115.11 118.86 2aj4 h GLN 425 Ca -0.02 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 2aj4 h GLN 425 Cb 0.94 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.74 2aj4 h GLN 425 CO 0.02 0.14 0.25 0.35 -0.67 0.00 0.00 178.83 178.92 2aj4 h PHE 426 N -0.59 1.11 -0.87 2.96 3.57 0.05 -2.43 116.94 120.74 2aj4 h PHE 426 Ca -0.02 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.37 2aj4 h PHE 426 Cb 0.45 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 2aj4 h PHE 426 CO 0.04 0.88 0.53 0.78 -2.23 0.00 0.00 178.31 178.31 2aj4 h GLY 427 N 1.03 1.27 1.33 2.40 0.00 -1.30 -2.43 103.07 105.36 2aj4 h GLY 427 Ca 0.23 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 2aj4 h GLY 427 CO -0.01 0.51 0.31 0.00 0.00 0.00 0.00 176.54 177.35 2aj4 h ALA 428 N 1.29 1.37 -0.91 3.60 0.00 -0.65 -1.29 119.26 122.66 2aj4 h ALA 428 Ca 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2aj4 h ALA 428 Cb -0.05 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 2aj4 h ALA 428 CO -0.06 0.50 0.57 -0.07 0.00 0.00 0.00 179.25 180.19 2aj4 h LEU 429 N 0.88 1.08 -0.46 0.00 3.38 -1.22 -0.80 115.31 118.16 2aj4 h LEU 429 Ca 0.22 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2aj4 h LEU 429 Cb 0.07 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2aj4 h LEU 429 CO -0.03 0.81 0.23 0.24 0.09 0.00 0.00 178.44 179.78 2aj4 h MET 430 N 1.25 0.66 -0.46 1.13 2.86 -1.01 -1.39 114.93 117.97 2aj4 h MET 430 Ca 0.33 -0.09 -0.09 0.00 -2.06 0.00 0.00 59.70 57.79 2aj4 h MET 430 Cb -0.09 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.43 2aj4 h MET 430 CO -0.07 0.55 -0.06 -0.91 1.06 0.00 0.00 176.91 177.48 2aj4 h ASN 431 N 0.61 0.79 -0.41 1.22 2.35 -0.79 -0.74 115.58 118.61 2aj4 h ASN 431 Ca 0.16 -0.22 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 2aj4 h ASN 431 Cb 0.10 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 2aj4 h ASN 431 CO -0.02 0.89 -0.10 -0.33 -1.65 0.00 0.00 177.43 176.22 2aj4 h GLU 432 N 0.74 0.79 0.23 0.81 5.08 -1.00 0.46 114.58 121.68 2aj4 h GLU 432 Ca 0.13 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2aj4 h GLU 432 Cb 0.53 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2aj4 h GLU 432 CO 0.03 0.92 -0.30 1.03 -1.00 0.00 0.00 179.01 179.69 2aj4 h SER 433 N 0.60 -0.82 -0.36 1.42 0.87 -1.03 0.10 113.55 114.34 2aj4 h SER 433 Ca 0.10 0.08 0.07 0.00 -1.23 0.00 0.00 61.79 60.82 2aj4 h SER 433 Cb 0.63 0.29 -0.07 0.00 -0.44 0.00 0.00 62.40 62.82 2aj4 h SER 433 CO 0.04 -0.41 -0.07 -0.61 -0.53 0.00 0.00 176.83 175.25 2aj4 h GLN 434 N -0.58 0.02 -0.95 2.24 5.75 -0.96 0.23 115.11 120.86 2aj4 h GLN 434 Ca 0.00 -0.00 0.12 0.00 -0.15 0.00 0.00 58.65 58.62 2aj4 h GLN 434 Cb 0.56 -0.01 -0.08 0.00 1.07 0.00 0.00 27.48 29.02 2aj4 h GLN 434 CO -0.11 0.02 0.58 0.00 -2.65 0.00 0.00 178.83 176.67 2aj4 h ALA 435 N 1.35 1.43 0.16 3.38 0.00 -0.40 0.11 119.26 125.30 2aj4 h ALA 435 Ca 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2aj4 h ALA 435 Cb 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2aj4 h ALA 435 CO -0.35 0.15 -0.08 1.03 0.00 0.00 0.00 179.25 180.00 2aj4 h SER 436 N 0.90 -0.19 -0.80 0.00 0.87 0.31 0.42 113.55 115.07 2aj4 h SER 436 Ca 0.48 -0.24 0.13 0.00 -1.23 0.00 0.00 61.79 60.92 2aj4 h SER 436 Cb 0.50 0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 62.43 2aj4 h SER 436 CO -0.28 0.16 0.40 0.00 -0.53 0.00 0.00 176.83 176.57 2aj4 h ASP 438 N 0.60 -0.23 -0.02 0.00 3.58 -0.72 0.38 116.42 120.00 2aj4 h ASP 438 Ca 0.42 0.01 -0.21 0.00 0.42 0.00 0.00 57.03 57.67 2aj4 h ASP 438 Cb 0.56 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.67 2aj4 h ASP 438 CO -0.34 -0.07 -0.76 0.11 -2.88 0.00 0.00 179.24 175.30 2aj4 h LYS 439 N -0.45 0.67 0.09 0.28 1.57 0.03 -2.62 116.57 116.15 2aj4 h LYS 439 Ca -0.03 -0.54 -0.32 0.00 -1.87 0.00 0.00 60.65 57.89 2aj4 h LYS 439 Cb 0.21 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2aj4 h LYS 439 CO 0.04 1.16 -1.75 -0.07 -0.57 0.00 0.00 179.45 178.26 2aj4 h LEU 440 N 0.46 0.29 0.00 2.94 3.38 0.07 -3.40 115.31 119.05 2aj4 h LEU 440 Ca -0.04 -0.81 -0.09 0.00 0.09 0.00 0.00 57.88 57.02 2aj4 h LEU 440 Cb 1.37 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2aj4 h LEU 440 CO 0.15 1.74 -1.18 0.22 0.09 0.00 0.00 178.44 179.46 2aj4 h TYR 441 N -0.27 0.00 -5.61 1.13 3.20 -1.26 -3.38 116.97 110.77 2aj4 h TYR 441 Ca -0.40 0.00 -0.31 0.00 3.14 0.00 0.00 58.73 61.16 2aj4 h TYR 441 Cb 1.80 0.00 0.18 0.00 1.54 0.00 0.00 36.73 40.25 2aj4 h TYR 441 CO 0.09 0.32 -0.80 0.39 -1.64 0.00 0.00 178.16 176.52 2aj4 n GLU 442 N -2.82 -5.38 -0.99 1.82 1.02 0.13 -4.93 120.64 109.49 2aj4 n GLU 442 Ca -0.05 0.85 0.05 0.00 -0.02 0.00 0.00 57.16 57.99 2aj4 n GLU 442 Cb 0.71 -5.84 0.09 0.00 -0.02 0.00 0.00 31.44 26.38 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 -0.25 1.99 -3.52 0.00 2.88 -1.26 0.08 113.62 113.54 2aj4 n SER 444 Ca 0.11 -2.39 -0.13 0.00 -1.33 0.00 0.00 58.87 55.13 2aj4 n SER 444 Cb 0.91 -0.28 -0.04 0.00 -0.75 0.00 0.00 64.21 64.06 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 2.37 -0.04 -0.84 0.00 0.11 -2.00 0.16 132.00 131.74 2aj4 h PRO 446 Ca -0.33 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.86 2aj4 h PRO 446 Cb 1.26 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 2aj4 h PRO 446 CO 0.41 -0.03 0.51 0.93 -0.21 0.00 0.00 178.00 179.61 2aj4 h GLU 447 N -0.05 0.88 -0.66 1.05 3.07 -1.98 0.19 114.58 117.08 2aj4 h GLU 447 Ca 0.29 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.05 2aj4 h GLU 447 Cb 0.49 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 2aj4 h GLU 447 CO -0.66 0.58 0.23 0.82 -1.40 0.00 0.00 179.01 178.58 2aj4 h ILE 448 N 0.90 1.25 0.42 3.13 2.04 -1.17 -0.68 117.51 123.39 2aj4 h ILE 448 Ca 0.38 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 2aj4 h ILE 448 Cb 0.24 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2aj4 h ILE 448 CO -0.20 0.32 -0.20 0.44 0.00 0.00 0.00 178.15 178.51 2aj4 h ASP 449 N 0.95 -0.48 -0.78 1.72 3.32 -0.28 -2.15 116.42 118.73 2aj4 h ASP 449 Ca 0.22 0.02 0.15 0.00 0.02 0.00 0.00 57.03 57.43 2aj4 h ASP 449 Cb 0.27 0.12 -0.15 0.00 0.22 0.00 0.00 39.33 39.80 2aj4 h ASP 449 CO -0.01 -0.33 -0.24 0.50 -1.72 0.00 0.00 179.24 177.44 2aj4 h LYS 450 N -0.59 -0.03 -0.57 3.56 3.64 -0.57 0.12 116.57 122.14 2aj4 h LYS 450 Ca -0.06 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.43 2aj4 h LYS 450 Cb 0.43 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.18 2aj4 h LYS 450 CO 0.10 -0.02 0.12 0.82 -2.27 0.00 0.00 179.45 178.20 2aj4 h ILE 451 N -0.03 0.67 -0.52 2.00 2.04 -1.03 -2.19 117.51 118.46 2aj4 h ILE 451 Ca 0.36 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 66.07 2aj4 h ILE 451 Cb 0.58 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2aj4 h ILE 451 CO -0.81 0.05 0.07 0.00 0.00 0.00 0.00 178.15 177.46 2aj4 n SER 453 N -4.25 0.00 -0.29 0.00 3.41 -0.74 -1.91 113.62 109.84 2aj4 n SER 453 Ca 0.03 0.66 0.09 0.00 -0.26 0.00 0.00 58.87 59.40 2aj4 n SER 453 Cb 0.26 -0.16 0.19 0.00 -0.26 0.00 0.00 64.21 64.23 2aj4 n SER 453 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2aj4 n ILE 454 N -1.19 -0.35 -0.18 -1.33 5.41 -1.05 -0.83 119.36 119.83 2aj4 n ILE 454 Ca 0.00 1.87 -0.06 0.00 1.00 0.00 0.00 62.75 65.56 2aj4 n ILE 454 Cb 0.00 -2.66 0.04 0.00 -0.71 0.00 0.00 39.64 36.31 2aj4 n ILE 454 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2aj4 h ALA 455 N 1.67 0.67 -0.39 -1.39 0.00 -1.08 -2.02 119.26 116.71 2aj4 h ALA 455 Ca 0.46 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.21 2aj4 h ALA 455 Cb 0.84 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2aj4 h ALA 455 CO -0.82 0.05 -0.31 -0.07 0.00 0.00 0.00 179.25 178.11 2aj4 h LEU 456 N 0.65 0.90 -2.35 0.00 3.38 -0.28 1.16 115.31 118.78 2aj4 h LEU 456 Ca 0.21 -0.37 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 2aj4 h LEU 456 Cb -0.01 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 2aj4 h LEU 456 CO -0.08 1.13 0.14 -1.54 0.09 0.00 0.00 178.44 178.18 2aj4 n SER 457 N -4.08 3.01 -0.37 -0.43 3.41 -0.53 -3.60 113.62 111.04 2aj4 n SER 457 Ca -0.01 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.22 2aj4 n SER 457 Cb 0.49 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 2aj4 n SER 457 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2aj4 n ASN 458 N 0.10 0.00 0.00 4.04 3.02 -0.80 -4.93 115.26 116.69 2aj4 n ASN 458 Ca 0.14 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 2aj4 n ASN 458 Cb 0.74 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.91 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 0.00 0.93 3.83 7.41 0.00 -0.74 -3.80 105.19 112.82 2aj4 n GLY 459 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.76 6.88 0.02 1.61 0.15 0.39 -4.59 113.70 117.39 2aj4 s SER 460 Ca 0.00 1.09 0.22 0.00 0.70 0.00 0.00 55.95 57.95 2aj4 s SER 460 Cb 0.00 -2.29 -0.24 0.00 -1.71 0.00 0.00 66.02 61.77 2aj4 s SER 460 CO 0.00 0.20 0.60 -1.22 1.20 0.00 0.00 173.24 174.02 2aj4 n TYR 461 N 1.27 0.28 -3.65 3.44 4.02 0.14 -4.34 117.16 118.33 2aj4 n TYR 461 Ca -0.09 0.08 -0.04 0.00 -0.01 0.00 0.00 57.90 57.85 2aj4 n TYR 461 Cb 0.52 -0.68 -0.06 0.00 -0.02 0.00 0.00 39.34 39.10 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 -4.57 -0.61 -0.05 2.72 0.00 -1.24 -4.03 107.32 99.53 2aj4 s GLY 462 Ca -0.06 2.14 0.04 0.00 0.00 0.00 0.00 44.72 46.84 2aj4 s GLY 462 CO 0.87 2.74 -0.16 -0.56 0.00 0.00 0.00 173.10 175.99 2aj4 s SER 463 N 2.54 2.02 -0.04 1.64 0.01 -1.26 -0.42 113.70 118.18 2aj4 s SER 463 Ca -0.06 -0.33 -0.29 0.00 1.31 0.00 0.00 55.95 56.58 2aj4 s SER 463 Cb -0.11 -0.64 0.10 0.00 0.21 0.00 0.00 66.02 65.59 2aj4 s SER 463 CO -0.18 0.12 0.88 0.00 0.41 0.00 0.00 173.24 174.48 2aj4 s ARG 464 N 0.17 0.80 1.06 12.44 1.70 -0.67 -4.36 118.95 130.10 2aj4 s ARG 464 Ca -0.06 -0.15 -0.12 0.00 -0.47 0.00 0.00 55.73 54.93 2aj4 s ARG 464 Cb -0.12 0.37 0.23 0.00 -0.57 0.00 0.00 34.95 34.86 2aj4 s ARG 464 CO 0.02 -0.32 1.06 -0.48 -1.08 0.00 0.00 175.30 174.51 2aj4 s LEU 465 N -2.05 1.45 -0.07 -1.89 0.05 -1.26 0.15 118.68 115.07 2aj4 s LEU 465 Ca 0.02 1.56 -0.09 0.00 0.05 0.00 0.00 54.13 55.67 2aj4 s LEU 465 Cb -0.01 -3.65 0.02 0.00 -2.05 0.00 0.00 46.19 40.50 2aj4 s LEU 465 CO -0.05 -3.66 0.23 0.28 -0.55 0.00 0.00 176.35 172.60 2aj4 s THR 466 N -2.64 0.02 0.00 5.48 -1.32 -1.04 -4.64 115.64 111.50 2aj4 s THR 466 Ca 0.67 -0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.99 2aj4 s THR 466 Cb -0.23 -0.39 0.00 0.00 -1.51 0.00 0.00 72.50 70.38 2aj4 s THR 466 CO 0.61 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 173.55 2aj4 n GLY 467 N 2.53 -1.88 0.33 6.08 0.00 -1.26 -4.30 105.19 106.70 2aj4 n GLY 467 Ca -0.15 -1.58 0.16 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 2.23 0.00 4.61 0.00 -1.94 -3.45 119.26 120.71 2aj4 h ALA 468 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2aj4 h ALA 468 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2aj4 h ALA 468 CO 0.00 -0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.27 2aj4 n GLY 469 N -1.57 -1.73 2.56 0.00 0.00 -1.26 -4.88 105.19 98.31 2aj4 n GLY 469 Ca 0.04 -1.97 -0.20 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.13 0.00 1.61 8.01 0.11 -4.58 117.44 122.46 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 -3.45 0.00 0.00 -2.01 0.00 0.00 31.31 25.85 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 -0.56 0.56 6.71 6.99 0.00 -1.26 -4.62 105.19 113.02 2aj4 n GLY 471 Ca -0.21 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.28 3.95 -0.02 0.00 0.22 -4.89 105.19 104.17 2aj4 n GLY 472 Ca 0.00 -1.12 -0.19 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.42 1.26 0.08 0.00 -4.23 0.03 -2.51 115.64 107.86 2aj4 s THR 474 Ca 0.52 -2.06 0.05 0.00 -1.18 0.00 0.00 61.69 59.03 2aj4 s THR 474 Cb -0.07 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.28 2aj4 s THR 474 CO 0.31 -0.26 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.29 2aj4 s VAL 475 N -3.27 1.19 -0.09 2.29 1.01 0.12 -2.31 120.40 119.35 2aj4 s VAL 475 Ca 0.30 -1.42 -0.07 0.00 0.00 0.00 0.00 61.98 60.80 2aj4 s VAL 475 Cb 0.06 -1.21 0.03 0.00 0.00 0.00 0.00 36.38 35.26 2aj4 s VAL 475 CO 0.11 -0.26 0.22 -1.00 0.00 0.00 0.00 175.10 174.16 2aj4 s HIS 476 N -1.48 -0.26 -0.49 5.22 0.09 -0.39 -1.67 115.29 116.31 2aj4 s HIS 476 Ca 0.01 0.62 -0.21 0.00 -0.00 0.00 0.00 55.06 55.48 2aj4 s HIS 476 Cb -0.09 0.06 0.04 0.00 -0.00 0.00 0.00 32.58 32.60 2aj4 s HIS 476 CO 0.02 -0.15 0.74 -1.17 -0.00 0.00 0.00 174.74 174.19 2aj4 s LEU 477 N 0.45 4.51 -0.03 0.89 2.96 0.43 -0.48 118.68 127.41 2aj4 s LEU 477 Ca -0.03 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.43 2aj4 s LEU 477 Cb -0.04 -2.69 -0.01 0.00 0.50 0.00 0.00 46.19 43.95 2aj4 s LEU 477 CO -0.02 -0.96 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.17 2aj4 s VAL 478 N 3.14 1.54 0.01 1.68 1.01 -0.44 -0.68 120.40 126.65 2aj4 s VAL 478 Ca 0.23 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 2aj4 s VAL 478 Cb -0.15 -1.30 -0.06 0.00 0.00 0.00 0.00 36.38 34.87 2aj4 s VAL 478 CO 0.17 0.44 1.47 -2.84 0.00 0.00 0.00 175.10 174.34 2aj4 s PRO 479 N -0.18 4.26 0.26 2.72 0.02 -1.26 -1.38 135.00 139.44 2aj4 s PRO 479 Ca 0.01 2.05 0.03 0.00 0.02 0.00 0.00 61.00 63.10 2aj4 s PRO 479 Cb -0.10 -3.61 0.03 0.00 0.02 0.00 0.00 34.50 30.84 2aj4 s PRO 479 CO 0.01 -0.63 0.22 0.41 -0.33 0.00 0.00 177.00 176.68 2aj4 n GLY 480 N 3.75 2.78 3.11 0.52 0.00 0.13 -0.14 105.19 115.34 2aj4 n GLY 480 Ca 0.14 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 1.80 -1.76 0.22 -0.02 0.00 -1.26 -2.74 105.19 101.43 2aj4 n GLY 481 Ca 0.00 -1.71 -0.02 0.00 0.00 0.00 0.00 46.02 44.29 2aj4 n GLY 481 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2aj4 h PRO 482 N 0.00 0.32 -0.18 1.61 0.11 -1.96 -1.90 132.00 129.99 2aj4 h PRO 482 Ca 0.00 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2aj4 h PRO 482 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 2aj4 h PRO 482 CO 0.00 0.59 0.00 0.09 -0.21 0.00 0.00 178.00 178.47 2aj4 n ASN 483 N -4.11 1.99 -4.86 -2.05 4.13 -1.26 -4.96 115.26 104.14 2aj4 n ASN 483 Ca -0.01 -1.75 -0.31 0.00 1.68 0.00 0.00 54.58 54.20 2aj4 n ASN 483 Cb 0.41 -0.11 0.03 0.00 -1.54 0.00 0.00 39.78 38.56 2aj4 n ASN 483 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2aj4 s GLY 484 N -1.61 1.66 -0.18 7.41 0.00 -0.72 -4.91 107.32 108.97 2aj4 s GLY 484 Ca 0.34 -0.08 0.16 0.00 0.00 0.00 0.00 44.72 45.14 2aj4 s GLY 484 CO 0.28 0.21 1.48 0.70 0.00 0.00 0.00 173.10 175.77 2aj4 n ASN 485 N -2.88 4.20 0.18 1.64 3.02 0.80 -4.78 115.26 117.43 2aj4 n ASN 485 Ca 0.06 -2.94 -0.14 0.00 -0.03 0.00 0.00 54.58 51.53 2aj4 n ASN 485 Cb 0.54 -0.55 -0.08 0.00 -0.61 0.00 0.00 39.78 39.08 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 2.27 0.72 -0.57 2.41 2.04 -1.89 -3.02 117.51 119.46 2aj4 h ILE 486 Ca 0.00 -0.18 0.09 0.00 1.00 0.00 0.00 64.86 65.77 2aj4 h ILE 486 Cb 1.51 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 38.33 2aj4 h ILE 486 CO 0.26 0.04 0.19 -0.33 0.00 0.00 0.00 178.15 178.31 2aj4 h GLU 487 N -0.51 0.35 -0.50 2.37 4.39 -1.96 0.29 114.58 119.02 2aj4 h GLU 487 Ca -0.04 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.74 2aj4 h GLU 487 Cb 0.38 -0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 28.86 2aj4 h GLU 487 CO 0.07 0.23 -0.08 -0.22 -1.16 0.00 0.00 179.01 177.85 2aj4 h LYS 488 N 0.36 0.04 0.50 2.33 3.64 -1.88 0.12 116.57 121.68 2aj4 h LYS 488 Ca 0.29 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 2aj4 h LYS 488 Cb 0.36 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2aj4 h LYS 488 CO -0.31 0.02 -0.24 0.28 -2.27 0.00 0.00 179.45 176.94 2aj4 h VAL 489 N 0.04 0.41 -0.98 2.00 2.07 -1.19 -1.33 116.25 117.26 2aj4 h VAL 489 Ca 0.24 -0.38 0.19 0.00 0.82 0.00 0.00 66.70 67.57 2aj4 h VAL 489 Cb 0.37 0.55 -0.18 0.00 -1.52 0.00 0.00 31.29 30.51 2aj4 h VAL 489 CO -0.48 0.05 -0.28 0.29 0.02 0.00 0.00 177.57 177.17 2aj4 n LYS 490 N -5.28 -0.12 0.28 1.57 5.02 0.01 -0.10 118.16 119.53 2aj4 n LYS 490 Ca -0.11 1.53 -0.11 0.00 -2.02 0.00 0.00 58.31 57.60 2aj4 n LYS 490 Cb 0.31 -2.28 -0.05 0.00 -0.02 0.00 0.00 35.03 33.00 2aj4 n LYS 490 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2aj4 h GLU 491 N 0.00 -0.69 -0.96 1.97 4.39 -0.70 -1.86 114.58 116.74 2aj4 h GLU 491 Ca 0.44 0.05 0.38 0.00 0.34 0.00 0.00 59.36 60.56 2aj4 h GLU 491 Cb 0.68 0.16 -0.17 0.00 -0.10 0.00 0.00 28.75 29.32 2aj4 h GLU 491 CO -1.00 -0.46 0.43 0.00 -1.16 0.00 0.00 179.01 176.82 2aj4 n ALA 492 N -2.45 0.90 0.12 3.43 0.00 -0.33 -0.32 120.51 121.85 2aj4 n ALA 492 Ca -0.09 0.98 -0.13 0.00 0.00 0.00 0.00 53.44 54.20 2aj4 n ALA 492 Cb 0.28 -0.94 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 2aj4 n ALA 492 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2aj4 h LEU 493 N 0.00 -0.24 -0.01 0.00 3.38 -0.35 0.59 115.31 118.67 2aj4 h LEU 493 Ca 0.77 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.60 2aj4 h LEU 493 Cb 1.98 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 42.74 2aj4 h LEU 493 CO -0.76 0.05 -0.41 0.00 0.09 0.00 0.00 178.44 177.40 2aj4 h ALA 494 N 0.17 -0.64 -0.40 1.53 0.00 0.19 4.03 119.26 124.14 2aj4 h ALA 494 Ca -0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2aj4 h ALA 494 Cb 0.41 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2aj4 h ALA 494 CO 0.05 -0.94 0.09 -0.91 0.00 0.00 0.00 179.25 177.54 2aj4 h ASN 495 N -0.56 0.62 1.17 0.00 4.21 -1.21 0.02 115.58 119.83 2aj4 h ASN 495 Ca 0.05 -0.24 -0.07 0.00 1.21 0.00 0.00 56.30 57.25 2aj4 h ASN 495 Cb 0.64 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.66 2aj4 h ASN 495 CO -0.32 0.70 -0.86 -0.33 -1.29 0.00 0.00 177.43 175.33 2aj4 h GLU 496 N 0.51 0.00 0.00 0.81 5.08 0.49 -3.40 114.58 118.07 2aj4 h GLU 496 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2aj4 h GLU 496 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2aj4 h GLU 496 CO 0.00 0.19 0.00 0.34 -1.00 0.00 0.00 179.01 178.54 2aj4 n PHE 497 N -2.92 0.00 -0.04 4.33 7.35 1.33 -4.65 117.46 122.85 2aj4 n PHE 497 Ca -0.02 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.57 2aj4 n PHE 497 Cb 0.67 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.46 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 0.00 -1.00 0.00 -5.13 -1.99 -1.35 0.13 116.97 107.63 2aj4 h TYR 498 Ca 0.00 0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.78 2aj4 h TYR 498 Cb 0.00 0.47 0.00 0.00 2.00 0.00 0.00 36.73 39.20 2aj4 h TYR 498 CO 0.00 -0.42 0.00 1.63 -0.00 0.00 0.00 178.16 179.37 2aj4 n LYS 499 N -5.42 0.16 -0.02 4.88 5.02 -0.02 0.22 118.16 122.98 2aj4 n LYS 499 Ca -0.02 0.55 -0.21 0.00 -2.02 0.00 0.00 58.31 56.61 2aj4 n LYS 499 Cb 0.34 -1.93 -0.13 0.00 -0.02 0.00 0.00 35.03 33.29 2aj4 n LYS 499 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2aj4 n VAL 500 N -2.26 1.73 -0.02 -0.18 0.31 -0.35 -3.50 118.33 114.06 2aj4 n VAL 500 Ca -0.00 -0.59 -0.19 0.00 -0.01 0.00 0.00 64.34 63.55 2aj4 n VAL 500 Cb 0.11 -1.73 -0.14 0.00 -0.91 0.00 0.00 33.84 31.18 2aj4 n VAL 500 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2aj4 n LYS 501 N -3.55 0.73 -2.72 5.55 4.81 0.32 -4.49 118.16 118.81 2aj4 n LYS 501 Ca -0.34 0.24 -0.28 0.00 -0.87 0.00 0.00 58.31 57.06 2aj4 n LYS 501 Cb 1.01 -1.69 -0.02 0.00 0.02 0.00 0.00 35.03 34.35 2aj4 n LYS 501 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2aj4 n TYR 502 N -3.38 3.72 -0.31 5.64 4.02 0.58 -4.92 117.16 122.52 2aj4 n TYR 502 Ca -0.32 -3.54 0.05 0.00 -0.01 0.00 0.00 57.90 54.08 2aj4 n TYR 502 Cb 1.04 -0.42 0.13 0.00 -0.02 0.00 0.00 39.34 40.08 2aj4 n TYR 502 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2aj4 h PRO 503 N 2.92 0.01 0.00 -0.72 0.11 -1.59 0.73 132.00 133.46 2aj4 h PRO 503 Ca 0.23 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 2aj4 h PRO 503 Cb 0.62 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 2aj4 h PRO 503 CO 0.88 0.01 0.21 0.87 -0.21 0.00 0.00 178.00 179.75 2aj4 h LYS 504 N 0.01 0.00 -5.29 1.05 1.57 -1.90 -3.45 116.57 108.56 2aj4 h LYS 504 Ca 0.43 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.52 2aj4 h LYS 504 Cb 0.70 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.06 2aj4 h LYS 504 CO -0.88 0.00 0.03 1.51 -0.57 0.00 0.00 179.45 179.55 2aj4 n ILE 505 N -2.47 0.07 -3.83 1.86 3.06 0.25 -4.98 119.36 113.32 2aj4 n ILE 505 Ca -0.02 -0.02 -0.34 0.00 -2.50 0.00 0.00 62.75 59.88 2aj4 n ILE 505 Cb 0.25 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.38 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 -0.04 5.37 0.66 9.51 -4.23 -1.26 -4.95 115.64 120.69 2aj4 s THR 506 Ca 0.79 -0.01 0.34 0.00 -1.18 0.00 0.00 61.69 61.64 2aj4 s THR 506 Cb -1.11 -3.55 0.36 0.00 1.34 0.00 0.00 72.50 69.53 2aj4 s THR 506 CO 0.50 0.33 2.08 0.44 -0.54 0.00 0.00 174.62 177.43 2aj4 h ASP 507 N 3.85 0.00 0.41 3.99 3.32 -1.97 0.65 116.42 126.66 2aj4 h ASP 507 Ca -0.49 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.25 2aj4 h ASP 507 Cb 1.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 2aj4 h ASP 507 CO 0.68 0.00 -1.62 0.00 -1.72 0.00 0.00 179.24 176.58 2aj4 h ALA 508 N 1.59 0.36 0.69 3.45 0.00 -1.98 -2.00 119.26 121.36 2aj4 h ALA 508 Ca 0.02 -1.19 -0.03 0.00 0.00 0.00 0.00 54.91 53.70 2aj4 h ALA 508 Cb 0.46 0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.62 2aj4 h ALA 508 CO -0.00 1.22 -0.33 0.93 0.00 0.00 0.00 179.25 181.07 2aj4 h GLU 509 N 0.06 -0.89 -0.77 0.00 5.08 -0.50 -2.33 114.58 115.23 2aj4 h GLU 509 Ca -0.27 0.06 0.16 0.00 -1.00 0.00 0.00 59.36 58.31 2aj4 h GLU 509 Cb 2.02 0.20 -0.14 0.00 0.50 0.00 0.00 28.75 31.32 2aj4 h GLU 509 CO 0.14 -0.59 -0.16 1.25 -1.00 0.00 0.00 179.01 178.65 2aj4 h LEU 510 N -0.92 -0.66 -0.76 1.33 5.85 -0.09 0.39 115.31 120.45 2aj4 h LEU 510 Ca -0.09 0.23 0.14 0.00 0.84 0.00 0.00 57.88 58.99 2aj4 h LEU 510 Cb 0.71 0.46 -0.09 0.00 0.37 0.00 0.00 40.66 42.10 2aj4 h LEU 510 CO 0.15 -0.25 0.32 -0.33 -0.34 0.00 0.00 178.44 178.00 2aj4 h GLU 511 N 0.01 0.46 0.00 1.25 5.08 -1.00 -1.71 114.58 118.68 2aj4 h GLU 511 Ca 0.38 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 2aj4 h GLU 511 Cb 0.60 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2aj4 h GLU 511 CO -0.78 0.31 -0.07 -0.91 -1.00 0.00 0.00 179.01 176.56 2aj4 h ASN 512 N 0.48 0.00 0.61 1.42 2.35 0.27 -3.23 115.58 117.48 2aj4 h ASN 512 Ca 0.42 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.90 2aj4 h ASN 512 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 2aj4 h ASN 512 CO -0.39 0.07 -1.19 0.00 -1.65 0.00 0.00 177.43 174.27 2aj4 h ALA 513 N 1.93 0.14 -3.15 -0.83 0.00 -0.39 -3.44 119.26 113.52 2aj4 h ALA 513 Ca -0.00 -0.86 -0.62 0.00 0.00 0.00 0.00 54.91 53.42 2aj4 h ALA 513 Cb 0.80 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.42 2aj4 h ALA 513 CO 0.01 0.96 -0.56 0.42 0.00 0.00 0.00 179.25 180.09 2aj4 s ILE 514 N -2.74 4.88 0.05 0.00 1.01 -0.98 -1.52 121.20 121.91 2aj4 s ILE 514 Ca -0.04 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.63 2aj4 s ILE 514 Cb 0.07 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 2aj4 s ILE 514 CO 0.88 0.40 -0.05 -0.63 0.00 0.00 0.00 174.94 175.53 2aj4 s ILE 515 N 0.84 0.41 -0.33 2.92 1.09 0.13 -4.83 121.20 121.43 2aj4 s ILE 515 Ca 0.05 -1.46 0.03 0.00 -1.10 0.00 0.00 60.65 58.17 2aj4 s ILE 515 Cb -0.13 -1.05 0.09 0.00 -1.06 0.00 0.00 42.46 40.31 2aj4 s ILE 515 CO 0.02 -0.69 0.04 -0.69 -0.10 0.00 0.00 174.94 173.52 2aj4 s VAL 516 N -2.64 2.37 0.79 2.92 1.01 -1.26 0.82 120.40 124.41 2aj4 s VAL 516 Ca -0.01 -2.21 -0.12 0.00 0.00 0.00 0.00 61.98 59.63 2aj4 s VAL 516 Cb -0.01 -2.69 0.07 0.00 0.00 0.00 0.00 36.38 33.75 2aj4 s VAL 516 CO -0.04 -0.52 1.14 -0.94 0.00 0.00 0.00 175.10 174.74 2aj4 s SER 517 N 1.01 3.98 -0.24 3.32 1.04 -0.67 -5.00 113.70 117.15 2aj4 s SER 517 Ca 0.08 2.12 -0.05 0.00 0.48 0.00 0.00 55.95 58.58 2aj4 s SER 517 Cb -0.19 -2.56 0.12 0.00 0.10 0.00 0.00 66.02 63.49 2aj4 s SER 517 CO -0.07 -2.39 0.46 -0.54 0.98 0.00 0.00 173.24 171.67 2aj4 s LYS 518 N -4.43 0.39 -0.03 4.02 1.02 -1.26 -4.56 119.74 114.90 2aj4 s LYS 518 Ca 0.68 0.91 -0.39 0.00 0.02 0.00 0.00 55.97 57.19 2aj4 s LYS 518 Cb -0.23 0.16 -0.19 0.00 -0.52 0.00 0.00 37.83 37.05 2aj4 s LYS 518 CO 0.52 -0.43 1.05 -2.30 -0.92 0.00 0.00 175.35 173.27 2aj4 n PRO 519 N 5.39 0.00 -4.39 -1.68 -0.02 -1.26 -4.47 135.00 128.58 2aj4 n PRO 519 Ca -0.06 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.18 2aj4 n PRO 519 Cb 0.50 -1.44 -0.09 0.00 -0.02 0.00 0.00 33.50 32.45 2aj4 n PRO 519 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aj4 s ALA 520 N 0.18 2.92 0.57 3.55 0.00 -0.08 -2.09 121.76 126.80 2aj4 s ALA 520 Ca 0.88 -1.76 -0.20 0.00 0.00 0.00 0.00 51.96 50.88 2aj4 s ALA 520 Cb -1.23 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 2aj4 s ALA 520 CO 0.56 0.29 1.27 -1.17 0.00 0.00 0.00 175.76 176.71 2aj4 s LEU 521 N -3.51 3.75 0.00 0.00 2.96 -1.26 -2.72 118.68 117.91 2aj4 s LEU 521 Ca 0.30 2.55 0.00 0.00 -0.22 0.00 0.00 54.13 56.76 2aj4 s LEU 521 Cb -0.06 -4.45 0.00 0.00 0.50 0.00 0.00 46.19 42.18 2aj4 s LEU 521 CO 0.17 -1.58 0.00 0.61 -1.32 0.00 0.00 176.35 174.23 2aj4 n GLY 522 N 0.65 1.08 3.73 7.98 0.00 0.46 -4.58 105.19 114.52 2aj4 n GLY 522 Ca 0.12 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 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 3.38 -3.64 1.61 7.64 -0.70 -4.59 113.62 117.33 2aj4 n SER 523 Ca 0.00 1.19 -0.07 0.00 1.01 0.00 0.00 58.87 61.00 2aj4 n SER 523 Cb 0.00 -1.55 -0.02 0.00 -1.01 0.00 0.00 64.21 61.63 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 -2.77 3.18 -0.14 0.00 1.43 0.72 -1.51 118.68 119.59 2aj4 s LEU 525 Ca 0.08 -0.94 -0.04 0.00 -1.03 0.00 0.00 54.13 52.19 2aj4 s LEU 525 Cb -0.02 -1.58 0.07 0.00 0.03 0.00 0.00 46.19 44.69 2aj4 s LEU 525 CO -0.03 -0.44 0.25 -0.47 0.23 0.00 0.00 176.35 175.89 2aj4 s TYR 526 N -2.52 -0.40 -0.11 0.29 5.04 -0.62 -0.39 117.35 118.64 2aj4 s TYR 526 Ca 0.40 0.83 -0.14 0.00 -2.44 0.00 0.00 57.07 55.72 2aj4 s TYR 526 Cb 0.01 -0.10 -0.05 0.00 0.35 0.00 0.00 41.96 42.17 2aj4 s TYR 526 CO 0.23 -0.40 0.34 -1.21 -1.34 0.00 0.00 175.55 173.17 2aj4 s GLU 527 N 2.40 4.12 0.00 4.97 2.02 0.29 -0.41 118.70 132.09 2aj4 s GLU 527 Ca 0.03 0.22 0.00 0.00 0.02 0.00 0.00 54.97 55.23 2aj4 s GLU 527 Cb -0.13 -3.36 0.00 0.00 0.10 0.00 0.00 34.13 30.75 2aj4 s GLU 527 CO -0.09 0.38 0.12 1.28 0.02 0.00 0.00 175.26 176.96