#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jij s VAL 29 N 0.00 1.29 0.00 2.03 -7.23 -1.26 -3.90 120.40 111.33 2jij s VAL 29 Ca 0.00 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 2jij s VAL 29 Cb 0.00 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.38 2jij s VAL 29 CO 0.00 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 2jij n GLY 30 N -0.58 2.35 0.00 2.32 0.00 -1.26 -4.12 105.19 103.91 2jij n GLY 30 Ca -0.04 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2jij n GLY 30 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jij n PHE 31 N 13.41 0.00 0.00 1.61 3.01 -1.26 -0.86 117.46 133.37 2jij n PHE 31 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2jij n PHE 31 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2jij n PHE 31 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jij n GLY 32 N 0.16 1.63 0.00 1.37 0.00 -1.26 -4.77 105.19 102.32 2jij n GLY 32 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2jij n GLY 32 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2jij n TRP 38 N 0.00 0.00 -2.72 1.61 -0.00 -1.26 -5.14 117.44 109.93 2jij n TRP 38 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.46 2jij n TRP 38 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 31.31 31.35 2jij n TRP 38 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 2jij n ARG 39 N -0.66 1.92 -0.82 5.87 1.74 -1.26 -5.06 116.66 118.40 2jij n ARG 39 Ca 0.00 -3.58 -0.11 0.00 -0.77 0.00 0.00 57.85 53.39 2jij n ARG 39 Cb 0.00 -1.66 0.07 0.00 -1.02 0.00 0.00 32.46 29.85 2jij n ARG 39 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jij n GLY 40 N -0.55 -1.00 3.74 -0.13 0.00 -1.26 -5.02 105.19 100.97 2jij n GLY 40 Ca 0.12 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 2jij n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jij s GLU 41 N -4.02 4.62 -0.21 1.61 2.12 -1.26 -4.92 118.70 116.64 2jij s GLU 41 Ca 0.28 1.73 -0.01 0.00 0.36 0.00 0.00 54.97 57.34 2jij s GLU 41 Cb -0.01 -3.26 0.02 0.00 0.26 0.00 0.00 34.13 31.14 2jij s GLU 41 CO 0.20 0.13 -0.12 0.08 -0.54 0.00 0.00 175.26 175.00 2jij s VAL 42 N -0.50 2.57 -0.23 3.70 1.01 -1.26 -1.21 120.40 124.49 2jij s VAL 42 Ca 0.48 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 2jij s VAL 42 Cb -0.30 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2jij s VAL 42 CO 0.36 0.40 0.09 -0.69 0.00 0.00 0.00 175.10 175.26 2jij s VAL 43 N 1.33 4.69 -0.32 2.92 1.01 0.32 -4.98 120.40 125.37 2jij s VAL 43 Ca 0.03 -0.05 -0.27 0.00 0.00 0.00 0.00 61.98 61.69 2jij s VAL 43 Cb -0.15 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.08 2jij s VAL 43 CO -0.08 0.37 0.95 -2.28 0.00 0.00 0.00 175.10 174.06 2jij s HIS 44 N 1.12 3.16 -0.13 5.22 5.65 -1.26 -0.11 115.29 128.94 2jij s HIS 44 Ca 0.05 0.99 0.10 0.00 0.25 0.00 0.00 55.06 56.45 2jij s HIS 44 Cb -0.14 -3.52 -0.23 0.00 -1.18 0.00 0.00 32.58 27.50 2jij s HIS 44 CO 0.04 -0.71 0.33 1.28 -0.65 0.00 0.00 174.74 175.03 2jij n LEU 45 N 6.63 1.11 -3.58 8.88 4.77 0.52 -4.95 117.00 130.38 2jij n LEU 45 Ca 0.08 0.19 -0.13 0.00 -0.03 0.00 0.00 56.01 56.13 2jij n LEU 45 Cb 0.48 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 2jij n LEU 45 CO 0.56 0.56 0.62 -0.55 -1.33 0.00 0.00 177.39 177.25 2jij s SER 46 N -6.10 -0.52 -0.11 -1.43 0.15 -1.16 -4.98 113.70 99.56 2jij s SER 46 Ca -0.12 0.71 -0.03 0.00 0.70 0.00 0.00 55.95 57.21 2jij s SER 46 Cb 0.07 0.62 -0.25 0.00 -1.71 0.00 0.00 66.02 64.75 2jij s SER 46 CO 0.79 -0.38 0.41 0.79 1.20 0.00 0.00 173.24 176.05 2jij n TRP 47 N 1.29 1.19 -3.76 3.44 7.02 -1.26 -2.50 117.44 122.86 2jij n TRP 47 Ca -0.14 0.28 -0.30 0.00 -1.02 0.00 0.00 57.50 56.32 2jij n TRP 47 Cb 0.57 -1.17 -0.15 0.00 -2.42 0.00 0.00 31.31 28.14 2jij n TRP 47 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2jij s SER 48 N -6.84 4.04 1.02 -0.99 0.15 -1.26 -2.80 113.70 107.01 2jij s SER 48 Ca -0.19 -1.63 -0.12 0.00 0.70 0.00 0.00 55.95 54.70 2jij s SER 48 Cb 0.07 -0.91 0.17 0.00 -1.71 0.00 0.00 66.02 63.64 2jij s SER 48 CO 0.78 -0.41 0.92 -0.81 1.20 0.00 0.00 173.24 174.93 2jij n PRO 49 N 4.81 -1.13 -3.07 5.44 -0.04 -1.26 -1.47 135.00 138.29 2jij n PRO 49 Ca -0.02 -1.43 -0.43 0.00 -0.04 0.00 0.00 63.50 61.57 2jij n PRO 49 Cb 0.42 -1.00 -0.06 0.00 -0.04 0.00 0.00 33.50 32.83 2jij n PRO 49 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2jij s ARG 50 N -5.03 3.19 -0.03 0.54 3.52 -1.12 -4.49 118.95 115.53 2jij s ARG 50 Ca 0.53 -0.70 0.02 0.00 -0.13 0.00 0.00 55.73 55.46 2jij s ARG 50 Cb -0.02 -4.08 0.00 0.00 -1.56 0.00 0.00 34.95 29.30 2jij s ARG 50 CO 0.38 -1.29 -0.09 0.00 -0.81 0.00 0.00 175.30 173.49 2jij s ALA 51 N 3.00 0.87 0.09 6.12 0.00 -1.04 -1.12 121.76 129.69 2jij s ALA 51 Ca 0.20 -0.33 0.10 0.00 0.00 0.00 0.00 51.96 51.93 2jij s ALA 51 Cb -0.17 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 2jij s ALA 51 CO 0.14 0.13 -0.25 -0.06 0.00 0.00 0.00 175.76 175.72 2jij s PHE 52 N 0.23 2.19 -0.20 0.00 0.40 0.13 -0.36 117.98 120.38 2jij s PHE 52 Ca -0.04 -0.39 -0.08 0.00 -0.60 0.00 0.00 56.93 55.81 2jij s PHE 52 Cb -0.09 -1.24 -0.04 0.00 0.51 0.00 0.00 43.02 42.16 2jij s PHE 52 CO 0.01 0.23 0.09 -1.17 0.70 0.00 0.00 175.22 175.08 2jij s LEU 53 N -1.71 3.88 -0.39 -0.37 2.96 0.85 -0.37 118.68 123.52 2jij s LEU 53 Ca 0.12 0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 53.99 2jij s LEU 53 Cb -0.10 -2.00 0.04 0.00 0.50 0.00 0.00 46.19 44.63 2jij s LEU 53 CO 0.04 0.13 0.23 -0.76 -1.32 0.00 0.00 176.35 174.68 2jij s LEU 54 N 0.62 4.87 0.24 -0.68 1.43 0.10 -0.52 118.68 124.74 2jij s LEU 54 Ca 0.05 -1.07 -0.30 0.00 -1.03 0.00 0.00 54.13 51.78 2jij s LEU 54 Cb -0.13 -2.04 -0.09 0.00 0.03 0.00 0.00 46.19 43.96 2jij s LEU 54 CO 0.01 -0.43 1.23 -0.54 0.23 0.00 0.00 176.35 176.85 2jij s LYS 55 N 1.56 4.47 -1.55 1.70 -0.14 -0.35 -1.24 119.74 124.20 2jij s LYS 55 Ca 0.02 1.99 -0.09 0.00 -1.36 0.00 0.00 55.97 56.54 2jij s LYS 55 Cb -0.20 -3.18 0.07 0.00 -1.68 0.00 0.00 37.83 32.85 2jij s LYS 55 CO 0.06 -0.09 0.58 0.09 -0.76 0.00 0.00 175.35 175.24 2jij n ASN 56 N 1.85 -1.74 -0.19 2.83 4.13 -1.26 -4.02 115.26 116.87 2jij n ASN 56 Ca 0.03 -1.01 -0.03 0.00 1.68 0.00 0.00 54.58 55.24 2jij n ASN 56 Cb 0.43 -2.90 0.17 0.00 -1.54 0.00 0.00 39.78 35.94 2jij n ASN 56 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 2jij h PHE 57 N -1.71 0.97 -3.83 3.10 3.57 -1.05 -3.43 116.94 114.57 2jij h PHE 57 Ca -0.61 -0.07 -0.68 0.00 3.53 0.00 0.00 57.97 60.14 2jij h PHE 57 Cb 1.38 -0.29 -0.20 0.00 2.79 0.00 0.00 35.95 39.62 2jij h PHE 57 CO 0.56 0.75 -0.81 -0.51 -2.23 0.00 0.00 178.31 176.07 2jij s LEU 58 N -9.53 2.63 0.67 0.59 1.43 -0.39 -5.06 118.68 109.03 2jij s LEU 58 Ca -0.11 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.34 2jij s LEU 58 Cb 0.16 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.86 2jij s LEU 58 CO 0.81 0.20 1.05 -0.94 0.23 0.00 0.00 176.35 177.71 2jij s SER 59 N -1.90 5.59 0.24 2.29 1.04 -1.26 -4.46 113.70 115.23 2jij s SER 59 Ca 0.16 1.62 -0.05 0.00 0.48 0.00 0.00 55.95 58.16 2jij s SER 59 Cb -0.10 -2.50 0.35 0.00 0.10 0.00 0.00 66.02 63.87 2jij s SER 59 CO 0.08 -1.30 1.82 0.44 0.98 0.00 0.00 173.24 175.26 2jij h ASP 60 N -0.45 0.69 -0.40 7.02 3.32 -1.97 -2.10 116.42 122.52 2jij h ASP 60 Ca -0.44 0.04 0.06 0.00 0.02 0.00 0.00 57.03 56.70 2jij h ASP 60 Cb 1.21 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.61 2jij h ASP 60 CO 0.58 0.41 0.09 -0.33 -1.72 0.00 0.00 179.24 178.28 2jij h GLU 61 N 0.81 0.22 -0.39 3.56 3.07 -1.99 -1.42 114.58 118.46 2jij h GLU 61 Ca 0.37 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.24 2jij h GLU 61 Cb 0.29 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 2jij h GLU 61 CO -0.22 0.15 0.21 0.93 -1.40 0.00 0.00 179.01 178.68 2jij h GLU 62 N 0.23 0.42 -0.13 2.33 5.08 -1.78 0.30 114.58 121.03 2jij h GLU 62 Ca 0.19 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 2jij h GLU 62 Cb 0.22 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2jij h GLU 62 CO -0.24 0.28 -0.02 0.00 -1.00 0.00 0.00 179.01 178.03 2jij h ASP 64 N 0.02 0.86 -0.45 0.00 3.32 -1.08 -2.04 116.42 117.06 2jij h ASP 64 Ca 0.06 -0.07 0.06 0.00 0.02 0.00 0.00 57.03 57.11 2jij h ASP 64 Cb 0.09 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.36 2jij h ASP 64 CO -0.12 0.68 0.14 0.22 -1.72 0.00 0.00 179.24 178.43 2jij h TYR 65 N 0.98 0.24 0.26 4.55 3.20 0.08 -0.66 116.97 125.62 2jij h TYR 65 Ca 0.26 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 2jij h TYR 65 Cb -0.02 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.21 2jij h TYR 65 CO -0.01 0.07 -0.13 0.82 -1.64 0.00 0.00 178.16 177.27 2jij h ILE 66 N 0.29 0.75 -0.31 1.81 2.04 -0.84 -0.68 117.51 120.57 2jij h ILE 66 Ca 0.22 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 66.07 2jij h ILE 66 Cb 0.24 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 2jij h ILE 66 CO -0.24 0.01 -0.04 0.58 0.00 0.00 0.00 178.15 178.46 2jij h VAL 67 N -0.39 0.72 -0.73 1.67 2.07 -1.13 0.41 116.25 118.88 2jij h VAL 67 Ca -0.04 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.48 2jij h VAL 67 Cb 0.30 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2jij h VAL 67 CO 0.06 0.01 0.48 -0.33 0.02 0.00 0.00 177.57 177.81 2jij h GLU 68 N 0.04 0.95 -0.19 1.57 4.39 -0.92 0.65 114.58 121.07 2jij h GLU 68 Ca 0.15 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.66 2jij h GLU 68 Cb 0.22 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2jij h GLU 68 CO -0.29 0.63 -0.44 0.87 -1.16 0.00 0.00 179.01 178.62 2jij h LYS 69 N 0.98 0.45 -0.07 2.33 1.79 -0.34 -3.20 116.57 118.50 2jij h LYS 69 Ca 0.27 -0.24 -0.15 0.00 -2.18 0.00 0.00 60.65 58.36 2jij h LYS 69 Cb -0.09 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 2jij h LYS 69 CO -0.07 0.81 -0.61 0.00 -1.08 0.00 0.00 179.45 178.50 2jij h ALA 70 N 1.16 0.83 -0.20 3.86 0.00 0.61 -3.38 119.26 122.13 2jij h ALA 70 Ca 0.03 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.39 2jij h ALA 70 Cb 0.92 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2jij h ALA 70 CO 0.08 0.73 0.13 -0.09 0.00 0.00 0.00 179.25 180.10 2jij h ARG 71 N 0.19 0.25 0.00 0.00 2.43 -0.89 -1.75 114.38 114.61 2jij h ARG 71 Ca -0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2jij h ARG 71 Cb 1.12 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2jij h ARG 71 CO 0.10 0.17 0.00 -0.35 -1.51 0.00 0.00 179.97 178.37 2jij n PRO 72 N -4.96 0.05 0.00 0.20 -0.04 -1.26 -2.31 135.00 126.67 2jij n PRO 72 Ca -0.03 0.24 0.08 0.00 -0.04 0.00 0.00 63.50 63.75 2jij n PRO 72 Cb 0.03 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.95 2jij n PRO 72 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2jij n LYS 73 N -1.44 1.71 -0.21 0.54 5.02 -0.70 -5.22 118.16 117.86 2jij n LYS 73 Ca 0.04 -0.42 -0.15 0.00 -2.02 0.00 0.00 58.31 55.77 2jij n LYS 73 Cb 0.14 -1.27 0.14 0.00 -0.02 0.00 0.00 35.03 34.02 2jij n LYS 73 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2jij n MET 74 N -0.74 -3.06 0.00 1.97 2.81 -0.95 -4.80 117.12 112.35 2jij n MET 74 Ca 0.05 -0.74 0.00 0.00 -1.81 0.00 0.00 57.70 55.20 2jij n MET 74 Cb 0.30 -0.89 0.00 0.00 -0.71 0.00 0.00 33.22 31.92 2jij n MET 74 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2jij n THR 94 N -4.19 0.00 -4.45 2.03 -2.24 -1.26 -4.97 114.28 99.20 2jij n THR 94 Ca 0.07 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.64 2jij n THR 94 Cb 0.29 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.47 2jij n THR 94 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2jij n SER 95 N 0.00 1.91 -4.26 3.42 7.64 -1.26 -4.31 113.62 116.75 2jij n SER 95 Ca 0.00 -2.64 -0.23 0.00 1.01 0.00 0.00 58.87 57.01 2jij n SER 95 Cb 0.00 0.57 -0.13 0.00 -1.01 0.00 0.00 64.21 63.65 2jij n SER 95 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2jij s THR 96 N -2.57 1.61 0.27 0.44 -4.23 -0.97 -5.00 115.64 105.20 2jij s THR 96 Ca 0.09 -1.44 -0.03 0.00 -1.18 0.00 0.00 61.69 59.14 2jij s THR 96 Cb 0.00 -1.46 -0.02 0.00 1.34 0.00 0.00 72.50 72.36 2jij s THR 96 CO 0.07 -0.03 0.34 -0.83 -0.54 0.00 0.00 174.62 173.62 2jij s GLY 97 N -1.74 1.38 0.11 3.99 0.00 -1.26 -1.31 107.32 108.49 2jij s GLY 97 Ca 0.05 -1.51 -0.26 0.00 0.00 0.00 0.00 44.72 43.01 2jij s GLY 97 CO 0.03 -1.11 0.82 -1.08 0.00 0.00 0.00 173.10 171.77 2jij s THR 98 N -3.69 0.00 0.15 0.90 -1.32 -0.47 -4.60 115.64 106.61 2jij s THR 98 Ca 0.33 -0.29 0.11 0.00 -1.21 0.00 0.00 61.69 60.63 2jij s THR 98 Cb 0.02 -1.38 -0.04 0.00 -1.51 0.00 0.00 72.50 69.59 2jij s THR 98 CO 0.16 0.00 -0.26 0.26 -2.21 0.00 0.00 174.62 172.57 2jij s TRP 99 N -3.40 2.31 -0.19 9.09 0.52 -1.26 -0.49 118.94 125.52 2jij s TRP 99 Ca 0.07 -0.37 -0.01 0.00 0.02 0.00 0.00 56.10 55.81 2jij s TRP 99 Cb -0.02 -1.22 0.00 0.00 -1.15 0.00 0.00 33.47 31.08 2jij s TRP 99 CO -0.05 0.38 -0.14 -0.06 0.02 0.00 0.00 176.95 177.10 2jij s PHE 100 N -1.21 2.84 0.16 -1.98 0.08 0.18 -4.98 117.98 113.08 2jij s PHE 100 Ca 0.16 -1.25 -0.34 0.00 0.12 0.00 0.00 56.93 55.62 2jij s PHE 100 Cb -0.09 -1.97 -0.14 0.00 -0.57 0.00 0.00 43.02 40.24 2jij s PHE 100 CO 0.07 -0.63 1.53 0.00 -0.10 0.00 0.00 175.22 176.08 2jij n ALA 101 N 4.52 1.07 -1.67 5.36 0.00 -1.26 -0.93 120.51 127.60 2jij n ALA 101 Ca -0.20 0.45 -0.62 0.00 0.00 0.00 0.00 53.44 53.08 2jij n ALA 101 Cb 0.51 -2.31 -0.08 0.00 0.00 0.00 0.00 19.45 17.56 2jij n ALA 101 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2jij n LYS 102 N 3.11 0.44 -0.99 0.00 4.81 -1.26 -0.23 118.16 124.03 2jij n LYS 102 Ca 0.16 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 2jij n LYS 102 Cb 0.28 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 33.61 2jij n LYS 102 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jij n GLY 103 N 3.38 0.56 0.26 3.14 0.00 -1.26 -4.91 105.19 106.35 2jij n GLY 103 Ca 0.26 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.39 2jij n GLY 103 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jij h GLU 104 N 1.31 0.00 -3.30 1.61 4.81 -0.95 -3.44 114.58 114.61 2jij h GLU 104 Ca 0.00 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 2jij h GLU 104 Cb 0.05 0.00 -0.32 0.00 0.63 0.00 0.00 28.75 29.11 2jij h GLU 104 CO 0.00 0.12 -0.62 0.34 -0.73 0.00 0.00 179.01 178.13 2jij s ASP 105 N -6.37 -0.09 0.16 1.04 -1.08 -1.26 -5.06 116.67 104.02 2jij s ASP 105 Ca -0.03 0.26 -0.09 0.00 -0.52 0.00 0.00 52.55 52.16 2jij s ASP 105 Cb 0.14 0.15 0.02 0.00 -1.46 0.00 0.00 42.92 41.77 2jij s ASP 105 CO 0.61 -0.14 1.52 0.77 0.52 0.00 0.00 175.17 178.45 2jij h SER 106 N 7.16 0.96 -0.01 -0.34 4.64 -1.99 0.46 113.55 124.43 2jij h SER 106 Ca -0.42 -0.41 0.03 0.00 -0.47 0.00 0.00 61.79 60.52 2jij h SER 106 Cb 1.14 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.93 2jij h SER 106 CO 0.43 1.19 -0.17 0.58 -0.87 0.00 0.00 176.83 177.99 2jij h VAL 107 N 0.76 0.58 -0.27 0.95 2.07 -1.99 -2.59 116.25 115.76 2jij h VAL 107 Ca 0.08 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 2jij h VAL 107 Cb 0.90 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2jij h VAL 107 CO 0.08 0.00 -0.12 0.40 0.02 0.00 0.00 177.57 177.95 2jij h ILE 108 N -0.28 1.22 -0.63 4.57 2.04 -1.91 -2.88 117.51 119.65 2jij h ILE 108 Ca 0.06 -0.98 0.03 0.00 1.00 0.00 0.00 64.86 64.97 2jij h ILE 108 Cb 0.36 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 2jij h ILE 108 CO -0.17 0.32 0.41 0.28 0.00 0.00 0.00 178.15 178.99 2jij h SER 109 N 0.42 0.65 -0.63 1.72 0.02 0.23 0.19 113.55 116.16 2jij h SER 109 Ca 0.08 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 2jij h SER 109 Cb 0.47 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 2jij h SER 109 CO 0.03 0.45 0.07 0.50 -1.14 0.00 0.00 176.83 176.74 2jij h LYS 110 N 0.76 1.07 -0.19 3.45 3.64 -1.24 0.30 116.57 124.36 2jij h LYS 110 Ca 0.25 -0.30 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 2jij h LYS 110 Cb 0.05 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2jij h LYS 110 CO -0.07 1.00 -0.41 0.82 -2.27 0.00 0.00 179.45 178.53 2jij h ILE 111 N 1.00 1.31 -0.58 2.00 2.04 -1.19 -1.45 117.51 120.63 2jij h ILE 111 Ca 0.19 -1.56 -0.09 0.00 1.00 0.00 0.00 64.86 64.41 2jij h ILE 111 Cb 0.47 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 2jij h ILE 111 CO 0.02 0.48 0.03 -0.33 0.00 0.00 0.00 178.15 178.34 2jij h GLU 112 N 0.36 1.00 -0.53 2.37 5.08 0.92 0.13 114.58 123.90 2jij h GLU 112 Ca 0.03 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 2jij h GLU 112 Cb 0.87 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 2jij h GLU 112 CO 0.07 0.99 0.07 0.87 -1.00 0.00 0.00 179.01 180.01 2jij h LYS 113 N 0.90 0.85 -0.82 2.33 1.57 -0.25 -1.57 116.57 119.59 2jij h LYS 113 Ca 0.17 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2jij h LYS 113 Cb 0.51 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 2jij h LYS 113 CO 0.02 0.81 0.51 -0.09 -0.57 0.00 0.00 179.45 180.14 2jij h ARG 114 N 0.81 1.09 -0.53 3.15 2.43 -0.52 -1.93 114.38 118.88 2jij h ARG 114 Ca 0.17 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 2jij h ARG 114 Cb 0.38 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2jij h ARG 114 CO 0.01 0.75 -0.01 0.28 -1.51 0.00 0.00 179.97 179.49 2jij h VAL 115 N 1.11 1.26 -0.39 0.20 2.07 -0.50 -1.15 116.25 118.85 2jij h VAL 115 Ca 0.30 -1.12 -0.07 0.00 0.82 0.00 0.00 66.70 66.62 2jij h VAL 115 Cb -0.08 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2jij h VAL 115 CO -0.06 0.40 -0.04 0.00 0.02 0.00 0.00 177.57 177.89 2jij h ALA 116 N 0.94 1.19 0.08 1.67 0.00 -0.91 -2.01 119.26 120.21 2jij h ALA 116 Ca 0.15 -0.26 -0.28 0.00 0.00 0.00 0.00 54.91 54.52 2jij h ALA 116 Cb 0.55 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.20 2jij h ALA 116 CO 0.03 0.53 -1.17 1.96 0.00 0.00 0.00 179.25 180.60 2jij h GLN 117 N 0.61 0.62 -0.39 0.00 4.20 -1.07 -0.87 115.11 118.21 2jij h GLN 117 Ca 0.12 -0.77 -0.16 0.00 0.06 0.00 0.00 58.65 57.90 2jij h GLN 117 Cb 0.45 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 2jij h GLN 117 CO 0.02 1.34 -0.38 -0.24 -0.67 0.00 0.00 178.83 178.90 2jij h VAL 118 N 0.30 1.27 0.00 -0.54 3.04 -1.12 -3.08 116.25 116.12 2jij h VAL 118 Ca -0.16 -1.55 0.00 0.00 -1.01 0.00 0.00 66.70 63.98 2jij h VAL 118 Cb 1.83 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 32.48 2jij h VAL 118 CO 0.22 0.52 -0.09 0.35 -1.01 0.00 0.00 177.57 177.56 2jij n THR 119 N -4.06 0.15 -2.66 3.17 -2.24 -0.77 -4.92 114.28 102.96 2jij n THR 119 Ca -0.02 -0.08 -0.19 0.00 -2.27 0.00 0.00 64.05 61.49 2jij n THR 119 Cb 0.54 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 2jij n THR 119 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2jij n MET 120 N -1.71 -2.76 -4.73 -0.78 0.00 -0.40 -5.00 117.12 101.74 2jij n MET 120 Ca 0.06 0.80 -0.33 0.00 0.00 0.00 0.00 57.70 58.23 2jij n MET 120 Cb 0.37 -5.49 -0.16 0.00 0.00 0.00 0.00 33.22 27.94 2jij n MET 120 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2jij s ILE 121 N -2.93 2.54 0.67 2.02 1.01 -0.79 -5.02 121.20 118.71 2jij s ILE 121 Ca 0.11 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 59.77 2jij s ILE 121 Cb -0.05 -2.05 -0.00 0.00 0.01 0.00 0.00 42.46 40.37 2jij s ILE 121 CO 0.14 0.53 1.19 -2.65 0.00 0.00 0.00 174.94 174.15 2jij n PRO 122 N 3.85 0.88 0.26 2.79 -0.02 -1.26 -4.59 135.00 136.90 2jij n PRO 122 Ca -0.19 0.36 0.12 0.00 -2.02 0.00 0.00 63.50 61.77 2jij n PRO 122 Cb 0.52 -2.43 0.76 0.00 -0.02 0.00 0.00 33.50 32.33 2jij n PRO 122 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2jij h LEU 123 N 0.22 0.00 -2.46 2.45 3.38 -1.28 -1.83 115.31 115.79 2jij h LEU 123 Ca -0.50 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 2jij h LEU 123 Cb 1.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 2jij h LEU 123 CO 0.51 0.00 -0.02 1.05 0.09 0.00 0.00 178.44 180.06 2jij h GLU 124 N 0.00 0.00 0.00 1.13 9.09 -1.83 -0.58 114.58 122.39 2jij h GLU 124 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 2jij h GLU 124 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.19 2jij h GLU 124 CO -0.00 0.02 0.00 0.09 0.05 0.00 0.00 179.01 179.17 2jij n ASN 125 N -3.59 0.00 -4.88 3.06 4.13 -0.69 -1.15 115.26 112.14 2jij n ASN 125 Ca -0.03 0.09 -0.36 0.00 1.68 0.00 0.00 54.58 55.96 2jij n ASN 125 Cb 0.12 -0.35 -0.06 0.00 -1.54 0.00 0.00 39.78 37.95 2jij n ASN 125 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 2jij s HIS 126 N -2.71 3.60 0.96 3.10 3.76 -0.23 -0.29 115.29 123.48 2jij s HIS 126 Ca 0.22 0.56 -0.15 0.00 -0.15 0.00 0.00 55.06 55.54 2jij s HIS 126 Cb 0.18 -1.97 0.21 0.00 1.11 0.00 0.00 32.58 32.10 2jij s HIS 126 CO 0.44 0.69 1.31 -1.21 -0.85 0.00 0.00 174.74 175.12 2jij s GLU 127 N -1.32 0.60 0.00 1.40 2.02 -0.76 -4.94 118.70 115.70 2jij s GLU 127 Ca 0.20 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 54.66 2jij s GLU 127 Cb -0.13 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.22 2jij s GLU 127 CO 0.10 -2.41 0.00 0.41 0.02 0.00 0.00 175.26 173.38 2jij n GLY 128 N -3.73 -1.73 3.36 -1.39 0.00 -1.26 -4.71 105.19 95.74 2jij n GLY 128 Ca 0.16 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 2jij n GLY 128 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jij s LEU 129 N 0.00 2.88 -0.20 0.99 2.96 -0.11 -4.54 118.68 120.67 2jij s LEU 129 Ca 0.00 -0.33 -0.08 0.00 -0.22 0.00 0.00 54.13 53.51 2jij s LEU 129 Cb 0.00 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 2jij s LEU 129 CO 0.00 0.08 0.07 -1.58 -1.32 0.00 0.00 176.35 173.60 2jij s GLN 130 N 0.89 3.94 -0.16 1.98 0.74 -1.00 0.51 119.66 126.57 2jij s GLN 130 Ca -0.02 -0.35 -0.02 0.00 0.05 0.00 0.00 55.36 55.02 2jij s GLN 130 Cb -0.15 -3.26 -0.02 0.00 1.10 0.00 0.00 33.01 30.68 2jij s GLN 130 CO 0.01 0.19 -0.08 0.08 -0.55 0.00 0.00 175.29 174.93 2jij s VAL 131 N 0.61 3.36 0.09 1.34 1.01 0.36 -0.07 120.40 127.09 2jij s VAL 131 Ca 0.04 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.57 2jij s VAL 131 Cb -0.13 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2jij s VAL 131 CO 0.01 0.49 -0.21 -0.76 0.00 0.00 0.00 175.10 174.64 2jij s LEU 132 N 0.60 2.55 -0.08 3.92 1.43 0.40 -1.37 118.68 126.14 2jij s LEU 132 Ca -0.05 -0.57 0.03 0.00 -1.03 0.00 0.00 54.13 52.51 2jij s LEU 132 Cb -0.15 -1.45 0.01 0.00 0.03 0.00 0.00 46.19 44.63 2jij s LEU 132 CO 0.03 0.21 -0.16 -2.28 0.23 0.00 0.00 176.35 174.38 2jij s HIS 133 N -1.04 1.79 0.19 0.29 5.65 -0.43 -1.13 115.29 120.61 2jij s HIS 133 Ca 0.16 -0.70 0.05 0.00 0.25 0.00 0.00 55.06 54.82 2jij s HIS 133 Cb -0.10 -1.26 -0.04 0.00 -1.18 0.00 0.00 32.58 30.00 2jij s HIS 133 CO 0.07 -0.33 0.18 0.71 -0.65 0.00 0.00 174.74 174.73 2jij s TYR 134 N 0.59 3.20 0.00 3.88 2.02 0.27 -2.29 117.35 125.02 2jij s TYR 134 Ca -0.15 -0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.52 2jij s TYR 134 Cb -0.16 -1.51 0.00 0.00 -0.40 0.00 0.00 41.96 39.89 2jij s TYR 134 CO 0.05 0.51 0.00 0.72 -1.57 0.00 0.00 175.55 175.26 2jij n HIS 135 N -0.65 0.00 -3.57 2.71 8.25 -1.26 -4.31 115.22 116.40 2jij n HIS 135 Ca -0.08 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.99 2jij n HIS 135 Cb 0.56 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.56 2jij n HIS 135 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2jij s PHE 147 N -1.04 3.22 -2.14 4.41 0.08 -1.26 -4.79 117.98 116.47 2jij s PHE 147 Ca 0.00 -0.09 0.20 0.00 0.12 0.00 0.00 56.93 57.17 2jij s PHE 147 Cb 0.00 -2.42 0.96 0.00 -0.57 0.00 0.00 43.02 40.99 2jij s PHE 147 CO 0.00 -0.28 1.65 -2.39 -0.10 0.00 0.00 175.22 174.10 2jij n HIS 148 N 5.08 0.09 -4.00 0.36 1.44 -1.26 -4.31 115.22 112.62 2jij n HIS 148 Ca -0.13 -0.05 -0.34 0.00 -2.01 0.00 0.00 57.72 55.19 2jij n HIS 148 Cb 0.51 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.47 2jij n HIS 148 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2jij s ASP 149 N -1.60 4.35 0.55 4.39 -1.08 -1.26 -5.05 116.67 116.96 2jij s ASP 149 Ca 0.31 -1.11 0.33 0.00 -0.52 0.00 0.00 52.55 51.55 2jij s ASP 149 Cb 0.15 -1.61 1.31 0.00 -1.46 0.00 0.00 42.92 41.31 2jij s ASP 149 CO 0.24 -0.16 1.96 1.55 0.52 0.00 0.00 175.17 179.28 2jij h PRO 150 N 7.92 0.00 0.00 4.34 0.13 -1.99 -2.08 132.00 140.32 2jij h PRO 150 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2jij h PRO 150 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2jij h PRO 150 CO 0.53 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 179.63 2jij n VAL 151 N -3.09 0.50 0.70 1.56 0.24 -1.26 -2.72 118.33 114.27 2jij n VAL 151 Ca 0.01 0.12 0.12 0.00 -2.04 0.00 0.00 64.34 62.55 2jij n VAL 151 Cb 0.32 -0.96 0.18 0.00 -1.47 0.00 0.00 33.84 31.91 2jij n VAL 151 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2jij n ASN 152 N -1.18 0.62 -4.54 -1.34 3.02 -0.78 -4.69 115.26 106.36 2jij n ASN 152 Ca 0.06 -0.02 -0.41 0.00 -0.03 0.00 0.00 54.58 54.18 2jij n ASN 152 Cb 0.06 0.25 -0.09 0.00 -0.61 0.00 0.00 39.78 39.39 2jij n ASN 152 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jij s ALA 153 N -3.12 3.49 0.51 5.41 0.00 -1.10 -5.07 121.76 121.89 2jij s ALA 153 Ca 0.07 -1.20 0.05 0.00 0.00 0.00 0.00 51.96 50.88 2jij s ALA 153 Cb 0.15 -2.85 0.09 0.00 0.00 0.00 0.00 23.12 20.50 2jij s ALA 153 CO 0.72 -1.10 0.66 0.41 0.00 0.00 0.00 175.76 176.45 2jij n GLY 154 N 4.94 1.52 0.33 0.00 0.00 -1.26 -4.53 105.19 106.19 2jij n GLY 154 Ca -0.09 -2.14 -0.02 0.00 0.00 0.00 0.00 46.02 43.78 2jij n GLY 154 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jij h PRO 155 N 0.00 0.99 0.00 1.61 0.11 -1.95 -0.11 132.00 132.64 2jij h PRO 155 Ca -0.22 -0.13 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 2jij h PRO 155 Cb 0.94 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 2jij h PRO 155 CO 0.29 0.76 -0.29 0.93 -0.21 0.00 0.00 178.00 179.47 2jij h GLU 156 N 0.99 0.00 -0.01 1.05 3.07 -1.95 -0.84 114.58 116.89 2jij h GLU 156 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 2jij h GLU 156 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2jij h GLU 156 CO -0.03 0.29 -0.13 0.72 -1.40 0.00 0.00 179.01 178.46 2jij n HIS 157 N -3.77 0.00 -1.82 4.33 8.25 -1.04 -4.52 115.22 116.66 2jij n HIS 157 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2jij n HIS 157 Cb 0.39 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.39 2jij n HIS 157 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jij n GLY 158 N 1.26 0.62 7.00 -1.41 0.00 -0.32 -4.64 105.19 107.70 2jij n GLY 158 Ca 0.15 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2jij n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jij n GLY 159 N -0.93 0.54 3.68 -0.02 0.00 -0.08 -1.44 105.19 106.94 2jij n GLY 159 Ca 0.00 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 2jij n GLY 159 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jij n GLN 160 N -0.08 1.19 -2.12 1.61 1.13 -1.26 -4.63 117.38 113.22 2jij n GLN 160 Ca 0.00 0.45 -0.42 0.00 -1.94 0.00 0.00 57.00 55.10 2jij n GLN 160 Cb 0.00 -2.37 -0.03 0.00 0.11 0.00 0.00 30.24 27.95 2jij n GLN 160 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2jij s ARG 161 N -2.92 4.31 -0.14 -1.09 0.52 -1.26 -1.57 118.95 116.80 2jij s ARG 161 Ca 0.76 2.15 0.01 0.00 -0.52 0.00 0.00 55.73 58.13 2jij s ARG 161 Cb -0.41 -3.19 -0.09 0.00 0.52 0.00 0.00 34.95 31.77 2jij s ARG 161 CO 0.46 -0.41 -0.13 1.55 0.02 0.00 0.00 175.30 176.80 2jij n VAL 162 N 3.30 0.79 -4.73 3.52 3.14 0.13 -4.41 118.33 120.07 2jij n VAL 162 Ca 0.10 -0.30 -0.26 0.00 -2.96 0.00 0.00 64.34 60.92 2jij n VAL 162 Cb 0.41 -1.03 -0.16 0.00 -1.06 0.00 0.00 33.84 32.00 2jij n VAL 162 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2jij s VAL 163 N -2.28 1.32 -0.16 1.55 1.01 -0.89 -0.47 120.40 120.48 2jij s VAL 163 Ca -0.19 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 2jij s VAL 163 Cb 0.05 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 2jij s VAL 163 CO 0.31 0.39 -0.05 -0.89 0.00 0.00 0.00 175.10 174.86 2jij s THR 164 N 0.37 3.70 -0.25 3.92 2.01 -0.45 -0.91 115.64 124.03 2jij s THR 164 Ca -0.10 -0.42 -0.01 0.00 0.31 0.00 0.00 61.69 61.46 2jij s THR 164 Cb -0.14 -2.62 0.03 0.00 0.01 0.00 0.00 72.50 69.78 2jij s THR 164 CO 0.04 0.49 -0.07 -0.32 -0.69 0.00 0.00 174.62 174.07 2jij s MET 165 N 0.47 2.79 -0.27 4.92 -2.45 0.68 -1.21 119.30 124.22 2jij s MET 165 Ca -0.05 -1.01 -0.11 0.00 -1.25 0.00 0.00 55.69 53.27 2jij s MET 165 Cb -0.15 -2.97 -0.05 0.00 1.25 0.00 0.00 34.83 32.92 2jij s MET 165 CO 0.03 -0.41 0.21 -0.51 1.05 0.00 0.00 175.02 175.39 2jij s LEU 166 N 1.31 4.03 -0.30 4.11 1.43 0.34 0.01 118.68 129.62 2jij s LEU 166 Ca -0.00 0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 53.07 2jij s LEU 166 Cb -0.17 -2.16 0.01 0.00 0.03 0.00 0.00 46.19 43.90 2jij s LEU 166 CO -0.05 -0.06 0.09 -0.04 0.23 0.00 0.00 176.35 176.53 2jij s MET 167 N 1.73 3.13 -0.41 1.70 -1.94 0.18 0.70 119.30 124.39 2jij s MET 167 Ca 0.08 -0.84 -0.29 0.00 -1.71 0.00 0.00 55.69 52.94 2jij s MET 167 Cb -0.16 -3.40 0.02 0.00 2.01 0.00 0.00 34.83 33.31 2jij s MET 167 CO 0.10 -0.44 1.10 0.71 -0.01 0.00 0.00 175.02 176.49 2jij s TYR 168 N 1.52 2.96 -0.33 -0.03 2.02 -0.88 -0.57 117.35 122.04 2jij s TYR 168 Ca 0.03 0.90 0.23 0.00 -0.37 0.00 0.00 57.07 57.85 2jij s TYR 168 Cb -0.17 -4.11 0.14 0.00 -0.40 0.00 0.00 41.96 37.42 2jij s TYR 168 CO 0.03 -1.06 1.27 -0.07 -1.57 0.00 0.00 175.55 174.15 2jij h LEU 169 N 10.73 0.00 -8.49 -1.29 3.38 -1.23 -0.46 115.31 117.95 2jij h LEU 169 Ca -0.22 -0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.46 2jij h LEU 169 Cb 1.06 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.65 2jij h LEU 169 CO 1.08 0.00 -0.71 0.42 0.09 0.00 0.00 178.44 179.32 2jij s THR 170 N -3.30 0.90 -0.03 0.22 -4.23 -1.21 -4.63 115.64 103.36 2jij s THR 170 Ca 0.03 -1.83 -0.21 0.00 -1.18 0.00 0.00 61.69 58.49 2jij s THR 170 Cb 0.08 -1.57 -0.05 0.00 1.34 0.00 0.00 72.50 72.30 2jij s THR 170 CO 0.74 -0.71 0.62 -0.89 -0.54 0.00 0.00 174.62 173.84 2jij s THR 171 N -3.05 4.97 -0.32 3.99 2.01 -1.26 -3.52 115.64 118.46 2jij s THR 171 Ca 0.10 1.28 -0.09 0.00 0.31 0.00 0.00 61.69 63.30 2jij s THR 171 Cb 0.01 -3.96 0.01 0.00 0.01 0.00 0.00 72.50 68.58 2jij s THR 171 CO -0.01 0.36 0.13 -0.69 -0.69 0.00 0.00 174.62 173.72 2jij s VAL 172 N 0.19 4.28 0.04 3.82 1.01 -0.53 -4.49 120.40 124.72 2jij s VAL 172 Ca 0.33 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.37 2jij s VAL 172 Cb -0.18 -3.27 -0.13 0.00 0.00 0.00 0.00 36.38 32.80 2jij s VAL 172 CO 0.17 -0.03 1.32 -0.33 0.00 0.00 0.00 175.10 176.23 2jij h GLU 173 N 8.32 -0.82 -6.43 2.72 5.08 -1.81 -3.43 114.58 118.22 2jij h GLU 173 Ca -0.29 0.06 -0.68 0.00 -1.00 0.00 0.00 59.36 57.44 2jij h GLU 173 Cb 1.12 0.19 -0.19 0.00 0.50 0.00 0.00 28.75 30.36 2jij h GLU 173 CO 0.62 -0.54 -0.75 -1.21 -1.00 0.00 0.00 179.01 176.13 2jij s GLU 174 N -4.80 2.32 2.19 2.33 2.02 0.58 -5.02 118.70 118.33 2jij s GLU 174 Ca -0.12 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.02 2jij s GLU 174 Cb 0.01 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.89 2jij s GLU 174 CO 0.37 0.57 0.00 0.41 0.02 0.00 0.00 175.26 176.63 2jij n GLY 175 N 1.52 -0.85 2.88 -1.39 0.00 -1.26 -2.44 105.19 103.65 2jij n GLY 175 Ca -0.16 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2jij n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jij n GLY 176 N 0.00 0.11 3.77 -0.02 0.00 -0.36 -4.79 105.19 103.90 2jij n GLY 176 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2jij n GLY 176 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jij s GLU 177 N -1.51 4.12 0.16 1.61 8.01 -1.26 -4.46 118.70 125.37 2jij s GLU 177 Ca 0.00 2.57 -0.31 0.00 0.01 0.00 0.00 54.97 57.24 2jij s GLU 177 Cb 0.00 -2.99 -0.08 0.00 -4.31 0.00 0.00 34.13 26.75 2jij s GLU 177 CO 0.00 -0.56 1.33 0.99 0.01 0.00 0.00 175.26 177.03 2jij s THR 178 N -0.73 3.29 -0.00 3.63 2.01 -0.86 -0.65 115.64 122.33 2jij s THR 178 Ca 0.56 1.00 0.07 0.00 0.31 0.00 0.00 61.69 63.64 2jij s THR 178 Cb -0.47 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.38 2jij s THR 178 CO 0.58 0.12 -0.23 0.54 -0.69 0.00 0.00 174.62 174.93 2jij s VAL 179 N 0.53 1.86 -0.54 3.82 0.11 -0.22 -1.56 120.40 124.40 2jij s VAL 179 Ca 0.60 -1.07 0.04 0.00 -2.93 0.00 0.00 61.98 58.61 2jij s VAL 179 Cb -0.36 -1.56 0.16 0.00 -1.53 0.00 0.00 36.38 33.09 2jij s VAL 179 CO 0.35 0.46 0.38 -0.76 -3.33 0.00 0.00 175.10 172.20 2jij s LEU 180 N -0.72 3.12 0.36 2.54 1.02 0.06 -0.59 118.68 124.47 2jij s LEU 180 Ca 0.09 -3.28 0.12 0.00 0.02 0.00 0.00 54.13 51.08 2jij s LEU 180 Cb -0.09 -1.07 0.93 0.00 0.02 0.00 0.00 46.19 45.97 2jij s LEU 180 CO -0.00 -0.16 1.81 -0.65 0.02 0.00 0.00 176.35 177.37 2jij h PRO 181 N 5.81 0.56 0.00 1.29 0.11 -1.78 0.22 132.00 138.21 2jij h PRO 181 Ca 0.15 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2jij h PRO 181 Cb 0.85 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2jij h PRO 181 CO 0.54 0.37 0.00 0.09 -0.21 0.00 0.00 178.00 178.79 2jij n ASN 182 N -4.63 0.00 -4.61 -2.05 3.02 -1.26 -4.56 115.26 101.16 2jij n ASN 182 Ca 0.22 -0.36 -0.37 0.00 -0.03 0.00 0.00 54.58 54.04 2jij n ASN 182 Cb 0.66 -0.21 0.06 0.00 -0.61 0.00 0.00 39.78 39.68 2jij n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jij n ALA 183 N -1.21 0.02 -0.08 5.41 0.00 0.06 -4.81 120.51 119.89 2jij n ALA 183 Ca 0.17 -0.04 -0.06 0.00 0.00 0.00 0.00 53.44 53.50 2jij n ALA 183 Cb 0.20 -2.09 -0.00 0.00 0.00 0.00 0.00 19.45 17.55 2jij n ALA 183 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2jij h GLU 184 N 0.29 -0.03 -6.24 0.00 5.08 -1.60 -3.44 114.58 108.65 2jij h GLU 184 Ca -0.48 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.19 2jij h GLU 184 Cb 1.36 0.01 -0.28 0.00 0.50 0.00 0.00 28.75 30.34 2jij h GLU 184 CO 0.50 -0.02 -0.84 -0.65 -1.00 0.00 0.00 179.01 177.00 2jij s GLN 185 N -6.20 2.47 0.13 2.33 -0.21 -1.26 -5.07 119.66 111.85 2jij s GLN 185 Ca -0.14 -0.82 0.04 0.00 0.02 0.00 0.00 55.36 54.46 2jij s GLN 185 Cb 0.13 -2.24 -0.04 0.00 1.00 0.00 0.00 33.01 31.86 2jij s GLN 185 CO 0.70 0.51 0.11 0.15 -2.12 0.00 0.00 175.29 174.63 2jij s LYS 186 N -0.45 2.89 0.43 2.91 1.02 -1.26 -3.24 119.74 122.04 2jij s LYS 186 Ca 0.05 -0.79 -0.24 0.00 0.02 0.00 0.00 55.97 55.02 2jij s LYS 186 Cb -0.12 -2.68 -0.08 0.00 -0.52 0.00 0.00 37.83 34.43 2jij s LYS 186 CO 0.01 0.52 1.12 0.14 -0.92 0.00 0.00 175.35 176.22 2jij s VAL 187 N -1.58 3.37 0.38 3.17 -7.23 -0.78 -4.88 120.40 112.84 2jij s VAL 187 Ca 0.30 1.04 0.06 0.00 -1.81 0.00 0.00 61.98 61.58 2jij s VAL 187 Cb -0.11 -3.54 -0.02 0.00 0.56 0.00 0.00 36.38 33.27 2jij s VAL 187 CO 0.23 0.00 0.23 0.35 -0.31 0.00 0.00 175.10 175.60 2jij n THR 188 N -0.27 0.00 -4.72 5.32 -2.24 -1.26 -4.64 114.28 106.47 2jij n THR 188 Ca 0.06 -2.47 0.00 0.00 -2.27 0.00 0.00 64.05 59.37 2jij n THR 188 Cb 0.49 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 2jij n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jij n GLY 189 N -0.77 -1.22 3.44 3.38 0.00 -1.26 -4.86 105.19 103.91 2jij n GLY 189 Ca 0.02 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 2jij n GLY 189 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jij s ASP 190 N -4.00 0.32 -0.06 1.61 1.11 -1.26 -4.10 116.67 110.29 2jij s ASP 190 Ca 0.00 1.15 0.00 0.00 0.18 0.00 0.00 52.55 53.88 2jij s ASP 190 Cb 0.00 -1.74 0.00 0.00 1.07 0.00 0.00 42.92 42.25 2jij s ASP 190 CO 0.00 -4.55 0.00 0.61 1.18 0.00 0.00 175.17 172.41 2jij n GLY 191 N 0.68 0.39 3.12 0.21 0.00 -1.26 -5.00 105.19 103.32 2jij n GLY 191 Ca 0.07 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 2jij n GLY 191 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jij s TRP 192 N -1.73 1.68 0.71 1.61 0.52 -1.26 -5.05 118.94 115.41 2jij s TRP 192 Ca 0.00 -0.50 -0.15 0.00 0.02 0.00 0.00 56.10 55.47 2jij s TRP 192 Cb 0.00 -1.14 0.03 0.00 -1.15 0.00 0.00 33.47 31.21 2jij s TRP 192 CO 0.00 -0.18 1.19 -1.54 0.02 0.00 0.00 176.95 176.44 2jij s SER 193 N 0.11 4.43 0.22 2.95 1.04 -1.26 -4.81 113.70 116.38 2jij s SER 193 Ca -0.05 2.30 -0.10 0.00 0.48 0.00 0.00 55.95 58.59 2jij s SER 193 Cb -0.12 -2.58 0.34 0.00 0.10 0.00 0.00 66.02 63.75 2jij s SER 193 CO 0.02 -2.10 1.65 -0.33 0.98 0.00 0.00 173.24 173.47 2jij h GLU 194 N -0.14 0.11 -0.56 4.02 4.39 -2.00 0.24 114.58 120.64 2jij h GLU 194 Ca -0.48 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.31 2jij h GLU 194 Cb 1.29 -0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 29.81 2jij h GLU 194 CO 0.51 0.07 -0.39 0.00 -1.16 0.00 0.00 179.01 178.04 2jij h ALA 196 N 0.76 1.60 0.00 0.00 0.00 -1.33 -2.21 119.26 118.08 2jij h ALA 196 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2jij h ALA 196 Cb 0.56 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2jij h ALA 196 CO -0.67 0.26 0.00 1.63 0.00 0.00 0.00 179.25 180.47 2jij n LYS 197 N -4.49 0.26 0.06 0.00 5.02 -0.65 -2.34 118.16 116.01 2jij n LYS 197 Ca 0.13 0.01 0.12 0.00 -2.02 0.00 0.00 58.31 56.55 2jij n LYS 197 Cb 0.23 -1.50 0.26 0.00 -0.02 0.00 0.00 35.03 34.00 2jij n LYS 197 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jij n ARG 198 N -1.01 0.23 0.00 1.97 1.74 -0.83 -4.71 116.66 114.06 2jij n ARG 198 Ca 0.06 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2jij n ARG 198 Cb 0.03 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 2jij n ARG 198 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jij n GLY 199 N 1.36 3.61 3.75 -0.13 0.00 -0.99 -4.43 105.19 108.35 2jij n GLY 199 Ca 0.04 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 2jij n GLY 199 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jij s LEU 200 N 0.00 4.51 0.17 0.99 2.96 -1.19 -1.87 118.68 124.24 2jij s LEU 200 Ca 0.00 2.18 0.07 0.00 -0.22 0.00 0.00 54.13 56.15 2jij s LEU 200 Cb 0.00 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 2jij s LEU 200 CO 0.00 -0.21 -0.14 0.00 -1.32 0.00 0.00 176.35 174.68 2jij s ALA 201 N -0.55 1.76 -0.04 5.97 0.00 -1.26 -0.76 121.76 126.87 2jij s ALA 201 Ca 0.48 -1.52 0.03 0.00 0.00 0.00 0.00 51.96 50.95 2jij s ALA 201 Cb -0.31 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.76 2jij s ALA 201 CO 0.37 0.05 -0.12 0.08 0.00 0.00 0.00 175.76 176.14 2jij s VAL 202 N -2.79 1.06 0.06 0.00 1.01 -0.60 -4.98 120.40 114.15 2jij s VAL 202 Ca 0.17 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 2jij s VAL 202 Cb -0.01 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 2jij s VAL 202 CO 0.04 0.32 1.16 -0.54 0.00 0.00 0.00 175.10 176.08 2jij s LYS 203 N 0.32 4.46 -0.52 2.72 1.02 -1.26 -2.02 119.74 124.45 2jij s LYS 203 Ca -0.07 1.71 -0.27 0.00 0.02 0.00 0.00 55.97 57.36 2jij s LYS 203 Cb -0.12 -3.36 -0.03 0.00 -0.52 0.00 0.00 37.83 33.81 2jij s LYS 203 CO 0.02 -0.20 1.91 -2.14 -0.92 0.00 0.00 175.35 174.02 2jij s PRO 204 N 0.95 2.74 -0.17 -1.68 0.02 -1.26 -4.96 135.00 130.64 2jij s PRO 204 Ca 0.57 0.92 -0.04 0.00 0.02 0.00 0.00 61.00 62.47 2jij s PRO 204 Cb -0.28 -4.36 -0.03 0.00 0.02 0.00 0.00 34.50 29.85 2jij s PRO 204 CO 0.29 -2.58 -0.02 0.42 -0.33 0.00 0.00 177.00 174.78 2jij s ILE 205 N 8.91 3.88 -0.34 2.83 1.01 -1.26 -1.45 121.20 134.78 2jij s ILE 205 Ca 0.74 -0.35 -0.42 0.00 0.00 0.00 0.00 60.65 60.62 2jij s ILE 205 Cb -0.16 -2.72 -0.17 0.00 0.01 0.00 0.00 42.46 39.42 2jij s ILE 205 CO 0.25 0.47 1.69 1.17 0.00 0.00 0.00 174.94 178.51 2jij n LYS 206 N 3.86 0.80 0.00 2.79 4.81 -1.23 -1.55 118.16 127.63 2jij n LYS 206 Ca -0.17 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 2jij n LYS 206 Cb 0.52 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.65 2jij n LYS 206 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jij n GLY 207 N 4.10 3.16 3.74 3.14 0.00 -0.18 -4.88 105.19 114.27 2jij n GLY 207 Ca 0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 2jij n GLY 207 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jij s ASP 208 N -0.46 4.17 -0.02 1.61 1.01 -0.60 -0.90 116.67 121.48 2jij s ASP 208 Ca 0.00 2.01 0.02 0.00 0.71 0.00 0.00 52.55 55.29 2jij s ASP 208 Cb 0.00 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2jij s ASP 208 CO 0.00 -2.26 -0.08 0.00 0.21 0.00 0.00 175.17 173.04 2jij s ALA 209 N -2.63 0.74 -0.13 5.23 0.00 -0.37 -2.06 121.76 122.54 2jij s ALA 209 Ca 0.65 -0.27 -0.13 0.00 0.00 0.00 0.00 51.96 52.22 2jij s ALA 209 Cb -0.21 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 2jij s ALA 209 CO 0.53 0.11 0.29 -1.17 0.00 0.00 0.00 175.76 175.52 2jij s LEU 210 N 0.22 4.30 -0.10 0.00 2.96 0.22 0.00 118.68 126.28 2jij s LEU 210 Ca -0.03 0.57 0.01 0.00 -0.22 0.00 0.00 54.13 54.45 2jij s LEU 210 Cb -0.08 -2.36 0.02 0.00 0.50 0.00 0.00 46.19 44.27 2jij s LEU 210 CO 0.00 0.18 -0.10 -0.32 -1.32 0.00 0.00 176.35 174.79 2jij s MET 211 N 0.02 1.71 0.04 1.98 -2.45 0.50 0.13 119.30 121.23 2jij s MET 211 Ca 0.17 -0.35 -0.01 0.00 -1.25 0.00 0.00 55.69 54.25 2jij s MET 211 Cb -0.13 -1.62 -0.03 0.00 1.25 0.00 0.00 34.83 34.30 2jij s MET 211 CO 0.05 -0.17 -0.01 -0.59 1.05 0.00 0.00 175.02 175.35 2jij s PHE 212 N 1.36 0.38 -0.07 4.11 -0.71 -0.35 0.20 117.98 122.89 2jij s PHE 212 Ca -0.01 -0.79 -0.20 0.00 -1.04 0.00 0.00 56.93 54.88 2jij s PHE 212 Cb -0.14 -0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 41.35 2jij s PHE 212 CO -0.05 -0.31 0.58 0.71 -1.34 0.00 0.00 175.22 174.81 2jij s TYR 213 N -2.83 3.58 -1.36 3.49 2.02 -0.27 -1.35 117.35 120.64 2jij s TYR 213 Ca -0.03 1.09 0.13 0.00 -0.37 0.00 0.00 57.07 57.88 2jij s TYR 213 Cb 0.00 -2.65 0.04 0.00 -0.40 0.00 0.00 41.96 38.95 2jij s TYR 213 CO -0.06 0.19 0.80 -1.13 -1.57 0.00 0.00 175.55 173.79 2jij n SER 214 N 3.45 1.68 -4.70 2.29 3.41 0.37 -4.37 113.62 115.75 2jij n SER 214 Ca -0.05 -1.34 -0.30 0.00 -0.26 0.00 0.00 58.87 56.92 2jij n SER 214 Cb 0.51 0.27 -0.08 0.00 -0.26 0.00 0.00 64.21 64.66 2jij n SER 214 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jij s LEU 215 N -1.50 3.52 0.84 1.04 1.43 -1.24 -1.16 118.68 121.60 2jij s LEU 215 Ca 0.12 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 52.94 2jij s LEU 215 Cb 0.10 -2.24 0.09 0.00 0.03 0.00 0.00 46.19 44.18 2jij s LEU 215 CO 0.25 0.16 1.12 -0.54 0.23 0.00 0.00 176.35 177.57 2jij s LYS 216 N -2.41 1.74 0.35 1.70 1.02 0.71 -4.76 119.74 118.08 2jij s LYS 216 Ca 0.27 0.45 0.10 0.00 0.02 0.00 0.00 55.97 56.80 2jij s LYS 216 Cb -0.11 -1.89 0.85 0.00 -0.52 0.00 0.00 37.83 36.15 2jij s LYS 216 CO 0.19 -1.82 1.82 -1.35 -0.92 0.00 0.00 175.35 173.27 2jij h PRO 217 N -1.23 0.64 0.00 -1.68 0.11 -2.00 0.47 132.00 128.30 2jij h PRO 217 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2jij h PRO 217 Cb 1.30 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2jij h PRO 217 CO 0.61 0.42 0.00 -0.40 -0.21 0.00 0.00 178.00 178.42 2jij n ASP 218 N -4.65 0.00 0.00 -2.05 5.75 -1.26 -4.89 116.55 109.46 2jij n ASP 218 Ca 0.21 -0.75 0.00 0.00 -0.01 0.00 0.00 54.79 54.24 2jij n ASP 218 Cb 0.59 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 2jij n ASP 218 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jij n GLY 219 N 0.72 0.71 3.76 6.12 0.00 0.15 -5.07 105.19 111.58 2jij n GLY 219 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 2jij n GLY 219 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jij s SER 220 N -2.53 4.57 0.27 1.61 1.04 -1.26 -4.70 113.70 112.71 2jij s SER 220 Ca 0.00 1.89 -0.30 0.00 0.48 0.00 0.00 55.95 58.02 2jij s SER 220 Cb 0.00 -2.53 -0.10 0.00 0.10 0.00 0.00 66.02 63.49 2jij s SER 220 CO 0.00 -1.99 1.42 0.20 0.98 0.00 0.00 173.24 173.85 2jij s ASN 221 N -3.15 6.65 -0.51 7.02 0.01 -1.26 -0.21 114.94 123.48 2jij s ASN 221 Ca 0.63 2.70 -0.14 0.00 -0.71 0.00 0.00 52.86 55.35 2jij s ASN 221 Cb -0.18 -2.63 0.13 0.00 0.41 0.00 0.00 41.25 38.97 2jij s ASN 221 CO 0.53 -0.69 0.44 -0.62 -1.51 0.00 0.00 177.10 175.25 2jij s ASP 222 N 0.17 6.02 0.00 -1.22 2.15 -0.31 -4.65 116.67 118.82 2jij s ASP 222 Ca 0.57 -1.82 0.06 0.00 0.43 0.00 0.00 52.55 51.78 2jij s ASP 222 Cb -0.42 -2.14 0.30 0.00 -0.30 0.00 0.00 42.92 40.36 2jij s ASP 222 CO 0.47 -0.80 0.97 -0.81 -0.17 0.00 0.00 175.17 174.82 2jij n PRO 223 N 5.13 0.11 0.00 4.34 -0.04 -1.26 -0.59 135.00 142.69 2jij n PRO 223 Ca -0.12 0.17 0.14 0.00 -0.04 0.00 0.00 63.50 63.65 2jij n PRO 223 Cb 0.40 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 32.97 2jij n PRO 223 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jij n ALA 224 N -1.21 2.32 1.29 0.55 0.00 -1.26 -3.35 120.51 118.85 2jij n ALA 224 Ca 0.03 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.50 2jij n ALA 224 Cb 0.04 -1.47 0.35 0.00 0.00 0.00 0.00 19.45 18.37 2jij n ALA 224 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jij n SER 225 N -1.52 1.93 -4.63 0.00 3.41 0.25 -4.06 113.62 108.99 2jij n SER 225 Ca 0.07 -1.58 -0.55 0.00 -0.26 0.00 0.00 58.87 56.55 2jij n SER 225 Cb 0.34 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.27 2jij n SER 225 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2jij n LEU 226 N 0.42 1.73 -3.78 1.04 7.94 -1.21 -4.96 117.00 118.16 2jij n LEU 226 Ca 0.16 1.11 -0.13 0.00 -1.11 0.00 0.00 56.01 56.04 2jij n LEU 226 Cb 0.43 -1.14 -0.10 0.00 0.53 0.00 0.00 43.42 43.14 2jij n LEU 226 CO 0.18 -0.91 -0.04 -1.38 -1.11 0.00 0.00 177.39 174.13 2jij s HIS 227 N 1.54 -0.23 0.41 1.96 -3.43 -1.26 -3.87 115.29 110.41 2jij s HIS 227 Ca 0.90 0.51 0.05 0.00 -0.80 0.00 0.00 55.06 55.72 2jij s HIS 227 Cb -1.04 0.08 -0.02 0.00 -1.43 0.00 0.00 32.58 30.17 2jij s HIS 227 CO 0.55 -0.24 0.18 0.20 -2.00 0.00 0.00 174.74 173.43 2jij s GLY 228 N -0.49 2.66 -0.23 -1.38 0.00 0.24 -4.97 107.32 103.15 2jij s GLY 228 Ca -0.06 -1.34 -0.01 0.00 0.00 0.00 0.00 44.72 43.31 2jij s GLY 228 CO 0.02 -1.75 -0.10 -0.45 0.00 0.00 0.00 173.10 170.81 2jij s SER 229 N -3.58 4.02 0.62 1.64 0.15 -1.26 -1.05 113.70 114.23 2jij s SER 229 Ca 0.26 -0.81 -0.19 0.00 0.70 0.00 0.00 55.95 55.92 2jij s SER 229 Cb 0.01 -1.61 -0.02 0.00 -1.71 0.00 0.00 66.02 62.69 2jij s SER 229 CO 0.18 -0.09 1.27 0.00 1.20 0.00 0.00 173.24 175.80 2jij n PRO 231 N -1.72 1.89 -2.92 0.00 -0.02 -1.26 -3.19 135.00 127.77 2jij n PRO 231 Ca 0.15 0.67 -0.43 0.00 -2.02 0.00 0.00 63.50 61.87 2jij n PRO 231 Cb 0.48 -2.27 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 2jij n PRO 231 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2jij s THR 232 N -0.35 4.56 0.00 3.45 2.01 -1.26 -1.22 115.64 122.83 2jij s THR 232 Ca 0.66 0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.98 2jij s THR 232 Cb -0.66 -4.40 0.00 0.00 0.01 0.00 0.00 72.50 67.44 2jij s THR 232 CO 0.53 -0.87 0.00 0.18 -0.69 0.00 0.00 174.62 173.77 2jij n LEU 233 N 6.96 1.01 -4.21 4.42 4.77 -1.14 -4.85 117.00 123.96 2jij n LEU 233 Ca 0.02 0.12 -0.37 0.00 -0.03 0.00 0.00 56.01 55.75 2jij n LEU 233 Cb 0.48 -0.21 -0.12 0.00 -2.33 0.00 0.00 43.42 41.24 2jij n LEU 233 CO 0.61 -0.21 -0.21 -0.54 -1.33 0.00 0.00 177.39 175.70 2jij s LYS 234 N -0.43 2.42 0.00 3.23 1.02 -1.02 -5.02 119.74 119.94 2jij s LYS 234 Ca 0.00 -1.44 0.00 0.00 0.02 0.00 0.00 55.97 54.55 2jij s LYS 234 Cb 0.00 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.79 2jij s LYS 234 CO 0.00 -0.84 0.00 0.41 -0.92 0.00 0.00 175.35 174.00 2jij n GLY 235 N 4.74 0.56 3.14 -3.33 0.00 -1.26 -0.31 105.19 108.73 2jij n GLY 235 Ca -0.09 -1.58 0.05 0.00 0.00 0.00 0.00 46.02 44.40 2jij n GLY 235 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jij s ASP 236 N -4.00 -0.90 -0.15 1.61 2.15 -1.26 -5.02 116.67 109.09 2jij s ASP 236 Ca 0.00 0.07 -0.24 0.00 0.43 0.00 0.00 52.55 52.81 2jij s ASP 236 Cb 0.00 1.54 -0.02 0.00 -0.30 0.00 0.00 42.92 44.14 2jij s ASP 236 CO 0.00 -0.16 0.75 -0.75 -0.17 0.00 0.00 175.17 174.84 2jij s LYS 237 N 2.84 4.31 -0.11 4.34 2.20 -1.26 -4.80 119.74 127.25 2jij s LYS 237 Ca 0.20 0.88 0.03 0.00 -0.36 0.00 0.00 55.97 56.73 2jij s LYS 237 Cb -0.05 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 2jij s LYS 237 CO -0.23 -0.21 -0.23 -1.58 -0.36 0.00 0.00 175.35 172.73 2jij s TRP 238 N 1.76 2.59 0.07 4.03 0.52 -1.26 -0.56 118.94 126.09 2jij s TRP 238 Ca 0.36 -1.16 0.04 0.00 0.02 0.00 0.00 56.10 55.36 2jij s TRP 238 Cb -0.17 -1.74 -0.03 0.00 -1.15 0.00 0.00 33.47 30.38 2jij s TRP 238 CO 0.13 -0.49 -0.12 -1.54 0.02 0.00 0.00 176.95 174.95 2jij s SER 239 N 0.52 1.47 -0.08 2.95 1.04 -0.28 -0.69 113.70 118.63 2jij s SER 239 Ca -0.14 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 55.66 2jij s SER 239 Cb -0.17 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.94 2jij s SER 239 CO 0.05 -0.15 -0.19 0.00 0.98 0.00 0.00 173.24 173.92 2jij s ALA 240 N -1.64 1.81 -0.13 5.32 0.00 0.26 -0.45 121.76 126.92 2jij s ALA 240 Ca -0.01 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 2jij s ALA 240 Cb -0.08 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 2jij s ALA 240 CO 0.01 0.22 -0.09 0.99 0.00 0.00 0.00 175.76 176.90 2jij s THR 241 N 0.45 3.43 -0.27 0.00 2.01 0.90 0.49 115.64 122.64 2jij s THR 241 Ca -0.17 -0.53 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 2jij s THR 241 Cb -0.17 -2.46 0.04 0.00 0.01 0.00 0.00 72.50 69.92 2jij s THR 241 CO 0.07 0.52 -0.05 -0.75 -0.69 0.00 0.00 174.62 173.72 2jij s LYS 242 N 0.22 2.58 -0.15 4.92 2.47 0.10 -2.36 119.74 127.52 2jij s LYS 242 Ca -0.06 -1.15 -0.16 0.00 -1.56 0.00 0.00 55.97 53.05 2jij s LYS 242 Cb -0.15 -3.03 -0.04 0.00 -1.46 0.00 0.00 37.83 33.15 2jij s LYS 242 CO 0.04 -0.51 0.37 -1.58 0.16 0.00 0.00 175.35 173.83 2jij s TRP 243 N 1.26 3.48 -0.05 4.03 0.51 -1.26 -0.23 118.94 126.67 2jij s TRP 243 Ca -0.03 0.71 0.06 0.00 -2.12 0.00 0.00 56.10 54.72 2jij s TRP 243 Cb -0.18 -2.43 -0.01 0.00 -0.81 0.00 0.00 33.47 30.03 2jij s TRP 243 CO -0.03 0.20 -0.23 0.42 -0.51 0.00 0.00 176.95 176.79 2jij s ILE 244 N 0.56 2.22 0.26 2.03 1.01 -0.09 -1.83 121.20 125.37 2jij s ILE 244 Ca 0.20 -1.01 0.06 0.00 0.00 0.00 0.00 60.65 59.90 2jij s ILE 244 Cb -0.14 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 2jij s ILE 244 CO 0.06 0.57 0.35 -1.00 0.00 0.00 0.00 174.94 174.93 2jij s HIS 245 N -0.29 3.31 0.39 3.97 3.76 0.60 0.19 115.29 127.22 2jij s HIS 245 Ca 0.00 -0.08 0.14 0.00 -0.15 0.00 0.00 55.06 54.97 2jij s HIS 245 Cb -0.13 -1.64 0.81 0.00 1.11 0.00 0.00 32.58 32.74 2jij s HIS 245 CO 0.02 0.35 1.88 -0.39 -0.85 0.00 0.00 174.74 175.75 2jij h VAL 246 N 1.17 1.21 -3.10 -0.90 -1.51 -1.14 -3.44 116.25 108.52 2jij h VAL 246 Ca -0.50 -1.09 -0.45 0.00 -1.23 0.00 0.00 66.70 63.43 2jij h VAL 246 Cb 1.24 1.59 -0.14 0.00 -2.13 0.00 0.00 31.29 31.85 2jij h VAL 246 CO 0.59 0.31 -0.59 0.00 -1.23 0.00 0.00 177.57 176.65 2jij s ALA 247 N -4.30 2.28 0.54 5.19 0.00 -0.52 -5.04 121.76 119.91 2jij s ALA 247 Ca -0.03 -1.84 -0.21 0.00 0.00 0.00 0.00 51.96 49.88 2jij s ALA 247 Cb 0.15 0.81 -0.05 0.00 0.00 0.00 0.00 23.12 24.02 2jij s ALA 247 CO 0.71 -0.36 1.29 -2.14 0.00 0.00 0.00 175.76 175.26 2jij s PRO 248 N -3.89 3.21 0.00 0.00 0.02 -1.26 -4.42 135.00 128.66 2jij s PRO 248 Ca 0.34 2.07 0.29 0.00 0.02 0.00 0.00 61.00 63.73 2jij s PRO 248 Cb 0.07 -2.22 1.32 0.00 0.02 0.00 0.00 34.50 33.69 2jij s PRO 248 CO 0.15 -1.08 1.90 -0.89 -0.33 0.00 0.00 177.00 176.74