#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3r s LYS 4 N 0.00 3.32 0.02 -0.72 1.02 -1.26 -5.01 119.74 117.11 1j3r s LYS 4 Ca 0.00 1.09 -0.25 0.00 0.02 0.00 0.00 55.97 56.83 1j3r s LYS 4 Cb 0.00 -2.04 -0.05 0.00 -0.52 0.00 0.00 37.83 35.22 1j3r s LYS 4 CO 0.00 -0.80 0.77 -1.21 -0.92 0.00 0.00 175.35 173.19 1j3r s GLU 5 N -4.35 4.49 0.79 1.68 0.41 -1.26 -5.06 118.70 115.40 1j3r s GLU 5 Ca 0.61 1.06 -0.11 0.00 -0.41 0.00 0.00 54.97 56.12 1j3r s GLU 5 Cb -0.14 -3.39 0.06 0.00 -1.78 0.00 0.00 34.13 28.88 1j3r s GLU 5 CO 0.41 0.21 1.09 -1.25 -0.49 0.00 0.00 175.26 175.23 1j3r s PRO 6 N 0.22 2.18 0.18 0.39 0.04 -1.26 -5.05 135.00 131.69 1j3r s PRO 6 Ca 0.40 0.78 -0.22 0.00 0.04 0.00 0.00 61.00 62.00 1j3r s PRO 6 Cb -0.20 -1.92 0.06 0.00 0.04 0.00 0.00 34.50 32.48 1j3r s PRO 6 CO 0.22 -1.59 0.60 -0.59 0.04 0.00 0.00 177.00 175.68 1j3r s PHE 7 N -3.08 -0.45 0.08 0.56 -0.12 -1.26 -5.17 117.98 108.55 1j3r s PHE 7 Ca 0.61 0.19 0.08 0.00 -0.05 0.00 0.00 56.93 57.76 1j3r s PHE 7 Cb -0.15 0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 42.76 1j3r s PHE 7 CO 0.55 -0.90 -0.22 0.20 -0.05 0.00 0.00 175.22 174.80 1j3r s GLY 8 N -2.78 1.27 0.00 1.99 0.00 -1.26 -5.14 107.32 101.39 1j3r s GLY 8 Ca 0.03 -1.22 -0.01 0.00 0.00 0.00 0.00 44.72 43.52 1j3r s GLY 8 CO -0.10 -1.18 0.02 -1.34 0.00 0.00 0.00 173.10 170.50 1j3r s VAL 9 N -0.99 0.05 -0.05 1.40 -7.23 -1.26 -5.12 120.40 107.20 1j3r s VAL 9 Ca 0.08 -0.41 -0.20 0.00 -1.81 0.00 0.00 61.98 59.64 1j3r s VAL 9 Cb -0.10 -0.17 -0.05 0.00 0.56 0.00 0.00 36.38 36.63 1j3r s VAL 9 CO 0.03 -0.23 0.58 -0.54 -0.31 0.00 0.00 175.10 174.64 1j3r s LYS 10 N -0.67 4.34 -0.18 4.82 1.02 -1.26 -4.90 119.74 122.90 1j3r s LYS 10 Ca -0.07 0.68 -0.05 0.00 0.02 0.00 0.00 55.97 56.55 1j3r s LYS 10 Cb -0.05 -3.39 -0.03 0.00 -0.52 0.00 0.00 37.83 33.85 1j3r s LYS 10 CO -0.00 0.26 0.01 -1.17 -0.92 0.00 0.00 175.35 173.52 1j3r s LEU 11 N 0.21 3.40 -0.47 3.17 0.20 -1.26 -1.16 118.68 122.76 1j3r s LEU 11 Ca 0.31 -0.10 -0.22 0.00 0.69 0.00 0.00 54.13 54.80 1j3r s LEU 11 Cb -0.17 -1.85 0.03 0.00 -0.43 0.00 0.00 46.19 43.77 1j3r s LEU 11 CO 0.16 0.12 0.75 -0.62 -0.29 0.00 0.00 176.35 176.47 1j3r s ASP 12 N 0.65 6.35 0.64 3.68 -1.08 -0.78 -4.93 116.67 121.20 1j3r s ASP 12 Ca 0.00 -0.34 0.36 0.00 -0.52 0.00 0.00 52.55 52.05 1j3r s ASP 12 Cb -0.14 -2.36 1.99 0.00 -1.46 0.00 0.00 42.92 40.95 1j3r s ASP 12 CO 0.02 -0.94 2.20 -0.26 0.52 0.00 0.00 175.17 176.71 1j3r h PHE 13 N 9.02 0.00 0.13 -5.34 0.04 -1.95 0.40 116.94 119.24 1j3r h PHE 13 Ca -0.26 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.19 1j3r h PHE 13 Cb 1.09 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.23 1j3r h PHE 13 CO 0.79 0.00 -1.71 0.93 -0.60 0.00 0.00 178.31 177.73 1j3r h GLU 14 N 0.00 0.28 0.00 1.51 4.39 -1.97 -3.40 114.58 115.39 1j3r h GLU 14 Ca 0.02 -0.48 -0.06 0.00 0.34 0.00 0.00 59.36 59.19 1j3r h GLU 14 Cb 0.26 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1j3r h GLU 14 CO -0.00 1.23 -1.68 0.25 -1.16 0.00 0.00 179.01 177.65 1j3r n THR 15 N -3.71 0.46 -0.91 1.13 -2.24 -1.10 -4.97 114.28 102.94 1j3r n THR 15 Ca -0.28 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 1j3r n THR 15 Cb 0.99 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1j3r n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j3r n GLY 16 N 1.30 0.91 3.70 3.38 0.00 0.14 -4.97 105.19 109.65 1j3r n GLY 16 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1j3r n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j3r s ILE 17 N -3.60 4.73 -0.21 -0.61 1.01 -1.25 -4.74 121.20 116.52 1j3r s ILE 17 Ca 0.00 1.97 -0.12 0.00 0.00 0.00 0.00 60.65 62.49 1j3r s ILE 17 Cb 0.00 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 1j3r s ILE 17 CO 0.00 0.10 0.24 -0.63 0.00 0.00 0.00 174.94 174.65 1j3r s ILE 18 N 1.37 5.32 0.30 2.92 1.01 -1.26 -1.86 121.20 128.99 1j3r s ILE 18 Ca 0.52 0.38 -0.30 0.00 0.00 0.00 0.00 60.65 61.25 1j3r s ILE 18 Cb -0.21 -3.58 -0.12 0.00 0.01 0.00 0.00 42.46 38.56 1j3r s ILE 18 CO 0.25 0.34 1.51 1.21 0.00 0.00 0.00 174.94 178.25 1j3r n GLU 19 N 4.12 2.49 -1.16 2.79 2.13 -0.31 -2.23 120.64 128.48 1j3r n GLU 19 Ca -0.13 0.88 -0.05 0.00 0.66 0.00 0.00 57.16 58.52 1j3r n GLU 19 Cb 0.52 -2.61 -0.02 0.00 0.27 0.00 0.00 31.44 29.59 1j3r n GLU 19 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1j3r n ASN 20 N 1.82 -5.22 -4.90 4.31 5.03 -1.26 -4.69 115.26 110.35 1j3r n ASN 20 Ca 0.08 0.13 -0.28 0.00 0.87 0.00 0.00 54.58 55.38 1j3r n ASN 20 Cb 0.36 -3.20 0.03 0.00 -1.02 0.00 0.00 39.78 35.95 1j3r n ASN 20 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1j3r s ALA 21 N -1.67 3.17 -0.36 5.41 0.00 -0.94 -4.97 121.76 122.40 1j3r s ALA 21 Ca 0.00 -0.49 -0.21 0.00 0.00 0.00 0.00 51.96 51.26 1j3r s ALA 21 Cb 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.34 1j3r s ALA 21 CO 0.00 -0.82 0.66 0.21 0.00 0.00 0.00 175.76 175.82 1j3r s LYS 22 N -5.09 3.70 -0.05 0.00 2.47 0.97 -4.80 119.74 116.94 1j3r s LYS 22 Ca 0.54 0.11 -0.22 0.00 -1.56 0.00 0.00 55.97 54.85 1j3r s LYS 22 Cb -0.11 -3.81 -0.04 0.00 -1.46 0.00 0.00 37.83 32.41 1j3r s LYS 22 CO 0.48 -0.75 0.63 0.21 0.16 0.00 0.00 175.35 176.08 1j3r s LYS 23 N 2.78 4.38 0.06 4.03 2.20 -1.26 -1.21 119.74 130.73 1j3r s LYS 23 Ca 0.26 0.76 0.07 0.00 -0.36 0.00 0.00 55.97 56.70 1j3r s LYS 23 Cb -0.14 -3.41 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 1j3r s LYS 23 CO 0.15 0.20 -0.19 -1.54 -0.36 0.00 0.00 175.35 173.60 1j3r s SER 24 N 0.39 2.33 -0.04 1.43 1.04 0.16 -4.98 113.70 114.03 1j3r s SER 24 Ca 0.33 -0.56 0.04 0.00 0.48 0.00 0.00 55.95 56.24 1j3r s SER 24 Cb -0.18 -0.17 -0.00 0.00 0.10 0.00 0.00 66.02 65.78 1j3r s SER 24 CO 0.17 0.10 -0.15 -0.69 0.98 0.00 0.00 173.24 173.65 1j3r s VAL 25 N -0.92 1.28 -0.14 5.02 1.01 -1.26 -1.05 120.40 124.33 1j3r s VAL 25 Ca 0.06 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 1j3r s VAL 25 Cb -0.09 -1.11 0.03 0.00 0.00 0.00 0.00 36.38 35.21 1j3r s VAL 25 CO 0.02 0.37 -0.09 -0.13 0.00 0.00 0.00 175.10 175.28 1j3r s ARG 26 N 0.09 1.71 0.54 2.72 1.81 -0.54 -5.03 118.95 120.25 1j3r s ARG 26 Ca -0.04 -0.44 0.08 0.00 -1.72 0.00 0.00 55.73 53.61 1j3r s ARG 26 Cb -0.11 -1.89 0.06 0.00 -0.45 0.00 0.00 34.95 32.56 1j3r s ARG 26 CO 0.02 -0.32 0.65 1.03 -0.68 0.00 0.00 175.30 176.00 1j3r s ARG 27 N 1.61 2.37 0.28 3.54 0.52 -1.26 -0.70 118.95 125.31 1j3r s ARG 27 Ca 0.03 -1.67 -0.03 0.00 -0.52 0.00 0.00 55.73 53.54 1j3r s ARG 27 Cb -0.14 -2.52 0.38 0.00 0.52 0.00 0.00 34.95 33.20 1j3r s ARG 27 CO -0.09 -0.69 1.93 -0.07 0.02 0.00 0.00 175.30 176.41 1j3r h LEU 28 N 0.42 1.04 -1.47 2.53 3.38 -1.70 -0.95 115.31 118.56 1j3r h LEU 28 Ca -0.33 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1j3r h LEU 28 Cb 1.29 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1j3r h LEU 28 CO 0.46 0.73 0.01 -1.54 0.09 0.00 0.00 178.44 178.19 1j3r n SER 29 N -4.42 0.57 -0.88 -0.43 3.41 -1.26 -0.30 113.62 110.31 1j3r n SER 29 Ca 0.12 0.77 0.12 0.00 -0.26 0.00 0.00 58.87 59.61 1j3r n SER 29 Cb 0.07 -0.84 0.26 0.00 -0.26 0.00 0.00 64.21 63.44 1j3r n SER 29 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1j3r n ASP 30 N -2.28 2.68 -2.20 4.04 8.00 -0.36 -4.36 116.55 122.07 1j3r n ASP 30 Ca -0.01 -1.87 -0.17 0.00 0.71 0.00 0.00 54.79 53.44 1j3r n ASP 30 Cb 0.05 -0.11 0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1j3r n ASP 30 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1j3r n MET 31 N 1.03 3.09 -2.19 -1.24 2.81 0.59 -4.96 117.12 116.25 1j3r n MET 31 Ca 0.17 -3.98 -0.41 0.00 -1.81 0.00 0.00 57.70 51.67 1j3r n MET 31 Cb 0.51 -2.09 -0.03 0.00 -0.71 0.00 0.00 33.22 30.91 1j3r n MET 31 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1j3r s LYS 32 N -3.63 4.40 0.00 0.03 2.20 -1.25 -2.78 119.74 118.70 1j3r s LYS 32 Ca 0.45 2.11 0.00 0.00 -0.36 0.00 0.00 55.97 58.17 1j3r s LYS 32 Cb 0.39 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.57 1j3r s LYS 32 CO 0.02 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.23 1j3r n GLY 33 N 1.60 0.52 0.31 5.54 0.00 -1.26 -4.93 105.19 106.98 1j3r n GLY 33 Ca 0.03 -0.47 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 1j3r n GLY 33 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1j3r n TYR 34 N -2.86 0.00 -2.93 1.61 4.02 -1.12 -4.98 117.16 110.90 1j3r n TYR 34 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.51 1j3r n TYR 34 Cb 0.00 -0.69 -0.06 0.00 -0.02 0.00 0.00 39.34 38.57 1j3r n TYR 34 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1j3r s PHE 35 N -2.36 3.76 0.08 -0.72 0.08 -1.26 -5.00 117.98 112.57 1j3r s PHE 35 Ca -0.26 1.63 -0.27 0.00 0.12 0.00 0.00 56.93 58.15 1j3r s PHE 35 Cb 0.09 -2.79 -0.17 0.00 -0.57 0.00 0.00 43.02 39.58 1j3r s PHE 35 CO 0.36 0.35 1.68 0.97 -0.10 0.00 0.00 175.22 178.49 1j3r h ILE 36 N 2.88 0.74 -0.82 0.64 6.09 -1.95 -3.36 117.51 121.74 1j3r h ILE 36 Ca -0.47 -0.02 -0.45 0.00 -1.37 0.00 0.00 64.86 62.55 1j3r h ILE 36 Cb 1.20 0.76 -0.07 0.00 0.47 0.00 0.00 36.82 39.18 1j3r h ILE 36 CO 0.66 0.00 1.22 -0.62 -3.07 0.00 0.00 178.15 176.34 1j3r s ASP 37 N -4.89 5.78 0.46 2.19 -1.08 -1.26 -4.78 116.67 113.08 1j3r s ASP 37 Ca -0.15 -1.31 0.16 0.00 -0.52 0.00 0.00 52.55 50.74 1j3r s ASP 37 Cb 0.05 -2.57 1.07 0.00 -1.46 0.00 0.00 42.92 40.00 1j3r s ASP 37 CO 0.64 -2.20 2.01 -0.08 0.52 0.00 0.00 175.17 176.06 1j3r h GLU 38 N 10.09 0.00 0.42 4.34 4.81 -1.98 -2.09 114.58 130.17 1j3r h GLU 38 Ca 0.19 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1j3r h GLU 38 Cb 0.98 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.36 1j3r h GLU 38 CO 1.31 0.17 -0.20 0.93 -0.73 0.00 0.00 179.01 180.50 1j3r h GLU 39 N 0.00 -0.54 -0.99 1.92 4.39 -1.95 -1.58 114.58 115.84 1j3r h GLU 39 Ca -0.00 0.04 0.24 0.00 0.34 0.00 0.00 59.36 59.97 1j3r h GLU 39 Cb 0.32 0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 29.01 1j3r h GLU 39 CO 0.02 -0.36 0.64 0.00 -1.16 0.00 0.00 179.01 178.16 1j3r h ALA 40 N -1.43 2.20 0.95 3.43 0.00 -1.95 -0.70 119.26 121.77 1j3r h ALA 40 Ca -0.06 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1j3r h ALA 40 Cb 0.43 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1j3r h ALA 40 CO 0.09 -0.55 -0.46 2.35 0.00 0.00 0.00 179.25 180.68 1j3r h TRP 41 N 0.42 -1.18 -0.99 0.00 7.01 -1.34 -1.56 115.95 118.30 1j3r h TRP 41 Ca 0.54 -0.03 0.21 0.00 2.11 0.00 0.00 58.89 61.72 1j3r h TRP 41 Cb 1.34 0.39 -0.10 0.00 -2.10 0.00 0.00 29.16 28.69 1j3r h TRP 41 CO -0.00 -0.74 0.62 0.87 -2.79 0.00 0.00 178.44 176.40 1j3r h LYS 42 N -1.28 0.60 0.71 2.65 1.57 -0.16 -1.79 116.57 118.86 1j3r h LYS 42 Ca -0.13 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1j3r h LYS 42 Cb 0.98 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 33.16 1j3r h LYS 42 CO 0.21 0.40 -0.34 -0.22 -0.57 0.00 0.00 179.45 178.93 1j3r h LYS 43 N 0.62 -0.92 -1.02 3.15 3.64 -0.96 -2.82 116.57 118.27 1j3r h LYS 43 Ca 0.57 0.06 0.25 0.00 -1.27 0.00 0.00 60.65 60.26 1j3r h LYS 43 Cb 1.08 0.21 -0.10 0.00 -0.41 0.00 0.00 32.23 33.01 1j3r h LYS 43 CO -0.34 -0.61 0.64 0.52 -2.27 0.00 0.00 179.45 177.39 1j3r h MET 44 N -1.08 0.48 0.48 1.90 2.86 -0.83 0.36 114.93 119.10 1j3r h MET 44 Ca -0.10 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1j3r h MET 44 Cb 0.73 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1j3r h MET 44 CO 0.16 0.31 -0.26 0.28 1.06 0.00 0.00 176.91 178.46 1j3r h VAL 45 N 0.49 0.46 0.00 -2.22 2.07 -1.28 -0.72 116.25 115.06 1j3r h VAL 45 Ca 0.60 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 68.08 1j3r h VAL 45 Cb 1.35 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1j3r h VAL 45 CO -0.35 0.00 -0.19 -0.33 0.02 0.00 0.00 177.57 176.72 1j3r h GLU 46 N -0.69 0.00 0.00 1.57 5.08 -0.94 0.11 114.58 119.71 1j3r h GLU 46 Ca -0.06 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1j3r h GLU 46 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1j3r h GLU 46 CO 0.08 0.19 -0.19 0.93 -1.00 0.00 0.00 179.01 179.03 1j3r h GLU 47 N 0.00 0.00 0.00 2.33 4.39 0.39 -3.44 114.58 118.25 1j3r h GLU 47 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1j3r h GLU 47 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1j3r h GLU 47 CO 0.02 0.19 0.00 0.41 -1.16 0.00 0.00 179.01 178.47 1j3r n GLY 48 N -0.02 0.00 3.63 -3.84 0.00 -0.37 -5.01 105.19 99.58 1j3r n GLY 48 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1j3r n GLY 48 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1j3r n ASP 49 N 0.00 -5.59 -4.75 1.61 4.64 0.33 -4.90 116.55 107.90 1j3r n ASP 49 Ca 0.00 -0.84 -0.35 0.00 -1.38 0.00 0.00 54.79 52.22 1j3r n ASP 49 Cb 0.00 -3.10 0.05 0.00 -1.04 0.00 0.00 41.12 37.03 1j3r n ASP 49 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1j3r s PRO 50 N -5.20 2.75 0.09 -0.67 0.04 -1.26 -4.56 135.00 126.18 1j3r s PRO 50 Ca 0.24 1.72 -0.31 0.00 0.04 0.00 0.00 61.00 62.69 1j3r s PRO 50 Cb -0.09 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 1j3r s PRO 50 CO 0.86 -1.35 1.31 0.08 0.04 0.00 0.00 177.00 177.94 1j3r s VAL 51 N -1.84 3.63 -0.19 -0.36 1.01 -1.26 -2.30 120.40 119.08 1j3r s VAL 51 Ca 0.74 1.17 -0.20 0.00 0.00 0.00 0.00 61.98 63.69 1j3r s VAL 51 Cb -0.28 -3.75 -0.17 0.00 0.00 0.00 0.00 36.38 32.19 1j3r s VAL 51 CO 0.37 0.09 0.17 0.58 0.00 0.00 0.00 175.10 176.31 1j3r h VAL 52 N 4.39 0.79 -3.42 2.92 2.07 -1.20 -3.44 116.25 118.35 1j3r h VAL 52 Ca -0.42 -1.98 -0.05 0.00 0.82 0.00 0.00 66.70 65.08 1j3r h VAL 52 Cb 1.21 1.88 -0.12 0.00 -1.52 0.00 0.00 31.29 32.74 1j3r h VAL 52 CO 0.84 0.27 -0.07 -0.72 0.02 0.00 0.00 177.57 177.91 1j3r s TYR 53 N -2.32 -0.12 0.01 1.57 -0.85 -1.04 -0.46 117.35 114.14 1j3r s TYR 53 Ca -0.26 -0.21 0.03 0.00 -0.52 0.00 0.00 57.07 56.11 1j3r s TYR 53 Cb 0.05 0.26 -0.01 0.00 0.38 0.00 0.00 41.96 42.63 1j3r s TYR 53 CO 0.53 -0.76 -0.09 -1.21 -1.52 0.00 0.00 175.55 172.50 1j3r s GLU 54 N -3.84 0.69 -0.00 -3.49 2.02 -0.66 -1.47 118.70 111.95 1j3r s GLU 54 Ca 0.06 -0.45 0.08 0.00 0.02 0.00 0.00 54.97 54.68 1j3r s GLU 54 Cb 0.01 -0.64 -0.02 0.00 0.10 0.00 0.00 34.13 33.58 1j3r s GLU 54 CO -0.09 0.17 -0.26 0.08 0.02 0.00 0.00 175.26 175.18 1j3r s VAL 55 N -0.49 2.05 -0.30 2.63 1.01 -0.22 -0.70 120.40 124.37 1j3r s VAL 55 Ca 0.01 -1.17 0.03 0.00 0.00 0.00 0.00 61.98 60.84 1j3r s VAL 55 Cb -0.05 -1.72 0.09 0.00 0.00 0.00 0.00 36.38 34.70 1j3r s VAL 55 CO 0.00 0.52 0.01 -0.31 0.00 0.00 0.00 175.10 175.31 1j3r s TYR 56 N -0.66 3.22 0.09 5.22 2.02 -0.35 -0.67 117.35 126.22 1j3r s TYR 56 Ca 0.10 -2.53 0.09 0.00 -0.37 0.00 0.00 57.07 54.37 1j3r s TYR 56 Cb -0.10 -2.37 -0.04 0.00 -0.40 0.00 0.00 41.96 39.05 1j3r s TYR 56 CO -0.00 -0.90 -0.22 0.00 -1.57 0.00 0.00 175.55 172.85 1j3r s ALA 57 N 1.10 2.49 -0.25 3.71 0.00 -0.35 -1.37 121.76 127.09 1j3r s ALA 57 Ca 0.04 -1.34 -0.01 0.00 0.00 0.00 0.00 51.96 50.64 1j3r s ALA 57 Cb -0.19 -0.55 0.08 0.00 0.00 0.00 0.00 23.12 22.46 1j3r s ALA 57 CO -0.09 0.56 0.05 0.42 0.00 0.00 0.00 175.76 176.70 1j3r s ILE 58 N -1.01 0.86 0.14 0.00 1.01 -0.77 -0.02 121.20 121.41 1j3r s ILE 58 Ca 0.15 -1.05 0.10 0.00 0.00 0.00 0.00 60.65 59.85 1j3r s ILE 58 Cb -0.10 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1j3r s ILE 58 CO 0.06 -0.40 -0.21 -1.61 0.00 0.00 0.00 174.94 172.79 1j3r s GLU 59 N 1.67 1.64 0.54 2.79 2.02 -1.26 -2.45 118.70 123.65 1j3r s GLU 59 Ca 0.03 -1.31 0.09 0.00 0.02 0.00 0.00 54.97 53.80 1j3r s GLU 59 Cb -0.17 -2.00 0.07 0.00 0.10 0.00 0.00 34.13 32.12 1j3r s GLU 59 CO -0.15 0.45 0.69 -0.65 0.02 0.00 0.00 175.26 175.62 1j3r s GLN 60 N -2.30 2.39 0.51 1.61 -1.52 -1.26 -5.06 119.66 114.03 1j3r s GLN 60 Ca 0.18 -1.63 -0.20 0.00 -1.95 0.00 0.00 55.36 51.76 1j3r s GLN 60 Cb -0.10 -2.59 -0.07 0.00 -0.22 0.00 0.00 33.01 30.04 1j3r s GLN 60 CO 0.09 -0.72 1.10 -1.21 -0.25 0.00 0.00 175.29 174.31 1j3r s GLU 61 N -4.55 3.59 -0.53 2.91 2.02 -1.26 -4.86 118.70 116.02 1j3r s GLU 61 Ca 0.57 1.55 -0.28 0.00 0.02 0.00 0.00 54.97 56.83 1j3r s GLU 61 Cb -0.06 -2.12 -0.10 0.00 0.10 0.00 0.00 34.13 31.96 1j3r s GLU 61 CO 0.35 -0.64 2.42 -1.91 0.02 0.00 0.00 175.26 175.51 1j3r n GLU 62 N -1.02 0.97 -3.79 1.61 2.13 -1.26 -4.78 120.64 114.51 1j3r n GLU 62 Ca 0.10 0.08 -0.13 0.00 0.66 0.00 0.00 57.16 57.87 1j3r n GLU 62 Cb 0.51 -3.02 -0.11 0.00 0.27 0.00 0.00 31.44 29.09 1j3r n GLU 62 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1j3r s LYS 63 N 8.00 0.37 0.15 5.31 2.20 -1.26 -4.87 119.74 129.65 1j3r s LYS 63 Ca 1.06 0.25 -0.31 0.00 -0.36 0.00 0.00 55.97 56.61 1j3r s LYS 63 Cb -0.43 0.17 -0.09 0.00 -1.51 0.00 0.00 37.83 35.97 1j3r s LYS 63 CO 0.33 -0.06 1.48 -2.00 -0.36 0.00 0.00 175.35 174.74 1j3r s GLU 64 N -0.14 4.27 0.00 4.03 2.12 -1.26 -2.50 118.70 125.21 1j3r s GLU 64 Ca -0.03 2.23 0.00 0.00 0.36 0.00 0.00 54.97 57.54 1j3r s GLU 64 Cb -0.03 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.17 1j3r s GLU 64 CO 0.01 -0.51 0.00 0.41 -0.54 0.00 0.00 175.26 174.63 1j3r n GLY 65 N 3.48 1.53 3.99 -1.50 0.00 -1.26 -5.05 105.19 106.38 1j3r n GLY 65 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1j3r n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j3r s ASP 66 N -3.05 5.25 0.03 1.61 -1.08 -1.04 -4.99 116.67 113.39 1j3r s ASP 66 Ca 0.00 -0.22 0.01 0.00 -0.52 0.00 0.00 52.55 51.82 1j3r s ASP 66 Cb 0.00 -0.63 -0.02 0.00 -1.46 0.00 0.00 42.92 40.81 1j3r s ASP 66 CO 0.00 -1.15 -0.05 -0.76 0.52 0.00 0.00 175.17 173.73 1j3r s LEU 67 N -4.70 2.20 0.23 -1.34 1.43 -1.26 -1.26 118.68 113.99 1j3r s LEU 67 Ca 0.58 -0.44 0.11 0.00 -1.03 0.00 0.00 54.13 53.36 1j3r s LEU 67 Cb -0.09 -0.07 -0.05 0.00 0.03 0.00 0.00 46.19 46.01 1j3r s LEU 67 CO 0.38 -0.19 -0.22 0.20 0.23 0.00 0.00 176.35 176.75 1j3r s ASN 68 N -1.24 3.45 0.08 2.29 0.01 0.28 -4.38 114.94 115.43 1j3r s ASN 68 Ca -0.10 -0.94 -0.11 0.00 -0.71 0.00 0.00 52.86 50.99 1j3r s ASN 68 Cb -0.08 -0.27 0.01 0.00 0.41 0.00 0.00 41.25 41.32 1j3r s ASN 68 CO -0.00 0.07 0.26 0.72 -1.51 0.00 0.00 177.10 176.64 1j3r s PHE 69 N -2.09 0.01 -0.18 2.20 -0.12 -1.03 -1.08 117.98 115.69 1j3r s PHE 69 Ca 0.25 -0.32 -0.30 0.00 -0.05 0.00 0.00 56.93 56.51 1j3r s PHE 69 Cb -0.06 0.04 0.13 0.00 -0.63 0.00 0.00 43.02 42.50 1j3r s PHE 69 CO 0.12 -0.55 1.02 0.00 -0.05 0.00 0.00 175.22 175.76 1j3r s ALA 70 N -3.38 -1.95 0.08 1.99 0.00 0.07 -1.84 121.76 116.74 1j3r s ALA 70 Ca 0.01 1.63 0.01 0.00 0.00 0.00 0.00 51.96 53.61 1j3r s ALA 70 Cb 0.02 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1j3r s ALA 70 CO -0.09 -0.30 0.18 0.95 0.00 0.00 0.00 175.76 176.51 1j3r s THR 71 N -0.97 5.10 -0.03 0.00 -4.23 -0.47 0.27 115.64 115.31 1j3r s THR 71 Ca -0.01 -0.57 0.04 0.00 -1.18 0.00 0.00 61.69 59.97 1j3r s THR 71 Cb -0.01 -3.50 -0.01 0.00 1.34 0.00 0.00 72.50 70.32 1j3r s THR 71 CO 0.00 0.09 -0.16 -0.89 -0.54 0.00 0.00 174.62 173.13 1j3r s THR 72 N -1.52 1.29 -0.41 3.99 2.01 0.16 -1.21 115.64 119.95 1j3r s THR 72 Ca 0.33 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.68 1j3r s THR 72 Cb -0.12 -1.10 0.11 0.00 0.01 0.00 0.00 72.50 71.40 1j3r s THR 72 CO 0.26 0.37 0.16 -0.69 -0.69 0.00 0.00 174.62 174.04 1j3r s VAL 73 N -0.09 2.83 -0.43 3.82 1.01 0.12 -2.23 120.40 125.42 1j3r s VAL 73 Ca -0.00 -2.37 -0.19 0.00 0.00 0.00 0.00 61.98 59.42 1j3r s VAL 73 Cb -0.09 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.33 1j3r s VAL 73 CO 0.01 -0.68 0.55 -0.22 0.00 0.00 0.00 175.10 174.76 1j3r s LEU 74 N 0.81 4.70 0.50 3.92 2.96 -0.32 -1.65 118.68 129.60 1j3r s LEU 74 Ca 0.11 -0.53 -0.21 0.00 -0.22 0.00 0.00 54.13 53.28 1j3r s LEU 74 Cb -0.21 -2.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.86 1j3r s LEU 74 CO -0.05 -0.70 1.15 -0.31 -1.32 0.00 0.00 176.35 175.12 1j3r s TYR 75 N 2.50 2.77 0.41 5.38 2.02 0.40 -0.85 117.35 129.97 1j3r s TYR 75 Ca 0.17 1.54 -0.25 0.00 -0.37 0.00 0.00 57.07 58.16 1j3r s TYR 75 Cb -0.16 -3.34 -0.08 0.00 -0.40 0.00 0.00 41.96 37.98 1j3r s TYR 75 CO 0.16 -1.55 1.20 -1.25 -1.57 0.00 0.00 175.55 172.54 1j3r s PRO 76 N -2.98 3.99 0.00 -1.71 0.04 -1.26 -4.73 135.00 128.35 1j3r s PRO 76 Ca 0.68 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1j3r s PRO 76 Cb -0.26 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1j3r s PRO 76 CO 0.31 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.37 1j3r n GLY 77 N 0.63 0.72 3.26 0.56 0.00 -1.26 -4.97 105.19 104.13 1j3r n GLY 77 Ca 0.04 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 1j3r n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j3r s LYS 78 N -1.94 0.51 -0.50 1.61 1.02 -1.26 -0.85 119.74 118.33 1j3r s LYS 78 Ca 0.00 0.30 -0.13 0.00 0.02 0.00 0.00 55.97 56.16 1j3r s LYS 78 Cb 0.00 0.24 0.11 0.00 -0.52 0.00 0.00 37.83 37.66 1j3r s LYS 78 CO 0.00 -0.09 0.41 0.08 -0.92 0.00 0.00 175.35 174.83 1j3r s VAL 79 N -0.27 4.82 0.00 3.17 1.01 0.23 -4.80 120.40 124.55 1j3r s VAL 79 Ca -0.04 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.43 1j3r s VAL 79 Cb -0.03 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1j3r s VAL 79 CO 0.02 -0.76 0.00 0.61 0.00 0.00 0.00 175.10 174.97 1j3r n GLY 80 N 5.11 1.77 0.16 4.51 0.00 -1.26 -1.79 105.19 113.68 1j3r n GLY 80 Ca -0.12 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.73 1j3r n GLY 80 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1j3r n ASN 81 N 9.29 1.31 -4.62 1.61 0.23 -1.26 -5.02 115.26 116.80 1j3r n ASN 81 Ca 0.00 -2.27 -0.38 0.00 -0.53 0.00 0.00 54.58 51.40 1j3r n ASN 81 Cb 0.00 -0.22 -0.10 0.00 -2.08 0.00 0.00 39.78 37.38 1j3r n ASN 81 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1j3r s GLU 82 N -1.31 4.02 0.56 -3.83 2.12 -0.74 -0.79 118.70 118.73 1j3r s GLU 82 Ca 0.12 -0.19 -0.21 0.00 0.36 0.00 0.00 54.97 55.04 1j3r s GLU 82 Cb 0.11 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1j3r s GLU 82 CO 0.01 -0.11 1.36 1.19 -0.54 0.00 0.00 175.26 177.18 1j3r n PHE 83 N 4.81 2.30 -1.67 5.30 3.72 -1.10 0.74 117.46 131.56 1j3r n PHE 83 Ca -0.13 0.43 -0.40 0.00 -0.05 0.00 0.00 57.45 57.30 1j3r n PHE 83 Cb 0.52 -2.36 0.03 0.00 -0.94 0.00 0.00 39.48 36.72 1j3r n PHE 83 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1j3r n PHE 84 N -1.11 1.69 -3.89 1.38 3.01 -0.03 -4.77 117.46 113.75 1j3r n PHE 84 Ca 0.11 0.49 -0.08 0.00 1.01 0.00 0.00 57.45 58.97 1j3r n PHE 84 Cb 0.45 -2.29 -0.03 0.00 -0.01 0.00 0.00 39.48 37.59 1j3r n PHE 84 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1j3r s MET 85 N -2.40 1.64 0.51 -1.08 0.23 -1.26 -1.90 119.30 115.03 1j3r s MET 85 Ca 0.66 -1.06 -0.04 0.00 -1.03 0.00 0.00 55.69 54.23 1j3r s MET 85 Cb -0.48 0.55 -0.01 0.00 -1.53 0.00 0.00 34.83 33.36 1j3r s MET 85 CO 0.54 -0.72 0.79 0.95 -2.03 0.00 0.00 175.02 174.55 1j3r s THR 86 N -3.95 4.14 0.25 3.16 -4.23 -0.51 -4.90 115.64 109.61 1j3r s THR 86 Ca 0.15 -0.12 -0.06 0.00 -1.18 0.00 0.00 61.69 60.48 1j3r s THR 86 Cb -0.03 -3.58 0.25 0.00 1.34 0.00 0.00 72.50 70.48 1j3r s THR 86 CO 0.06 -0.53 1.92 0.11 -0.54 0.00 0.00 174.62 175.65 1j3r h LYS 87 N 0.14 1.29 0.00 3.99 1.57 -1.95 -3.42 116.57 118.19 1j3r h LYS 87 Ca -0.46 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1j3r h LYS 87 Cb 1.24 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1j3r h LYS 87 CO 0.60 0.85 0.00 0.41 -0.57 0.00 0.00 179.45 180.74 1j3r n GLY 88 N -1.37 -0.58 3.55 3.86 0.00 -1.26 -4.93 105.19 104.46 1j3r n GLY 88 Ca 0.12 -1.44 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 1j3r n GLY 88 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1j3r s HIS 89 N -2.47 -0.29 0.46 1.61 -3.43 -1.05 -4.76 115.29 105.36 1j3r s HIS 89 Ca 0.00 0.14 0.08 0.00 -0.80 0.00 0.00 55.06 54.48 1j3r s HIS 89 Cb 0.00 0.55 0.03 0.00 -1.43 0.00 0.00 32.58 31.73 1j3r s HIS 89 CO 0.00 -0.56 0.60 0.71 -2.00 0.00 0.00 174.74 173.49 1j3r s TYR 90 N -3.09 2.42 0.02 0.38 1.51 -0.64 -2.65 117.35 115.30 1j3r s TYR 90 Ca 0.07 -0.50 -0.09 0.00 -1.01 0.00 0.00 57.07 55.53 1j3r s TYR 90 Cb -0.01 -2.31 -0.05 0.00 -0.11 0.00 0.00 41.96 39.48 1j3r s TYR 90 CO -0.07 -0.58 0.33 -1.01 -1.11 0.00 0.00 175.55 173.11 1j3r s HIS 91 N -2.45 3.61 0.20 2.71 3.76 -1.26 -0.51 115.29 121.35 1j3r s HIS 91 Ca 0.55 0.72 -0.11 0.00 -0.15 0.00 0.00 55.06 56.08 1j3r s HIS 91 Cb -0.08 -2.10 0.26 0.00 1.11 0.00 0.00 32.58 31.77 1j3r s HIS 91 CO 0.34 0.60 1.72 0.77 -0.85 0.00 0.00 174.74 177.32 1j3r h SER 92 N 4.13 0.06 -2.43 1.40 0.02 -1.00 0.22 113.55 115.95 1j3r h SER 92 Ca -0.50 0.10 -0.78 0.00 -0.84 0.00 0.00 61.79 59.76 1j3r h SER 92 Cb 1.20 0.12 -0.22 0.00 0.14 0.00 0.00 62.40 63.64 1j3r h SER 92 CO 0.64 0.05 1.21 0.29 -1.14 0.00 0.00 176.83 177.88 1j3r n LYS 93 N -5.09 3.85 0.13 3.45 5.02 -0.27 -4.83 118.16 120.43 1j3r n LYS 93 Ca 0.08 -4.10 0.10 0.00 -2.02 0.00 0.00 58.31 52.37 1j3r n LYS 93 Cb 0.29 -2.74 0.15 0.00 -0.02 0.00 0.00 35.03 32.70 1j3r n LYS 93 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1j3r n ILE 94 N 2.76 0.00 0.30 -0.18 3.06 0.76 0.25 119.36 126.32 1j3r n ILE 94 Ca 0.32 1.04 0.18 0.00 -2.50 0.00 0.00 62.75 61.79 1j3r n ILE 94 Cb 0.37 -2.00 0.83 0.00 0.54 0.00 0.00 39.64 39.38 1j3r n ILE 94 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 1j3r h ASP 95 N 0.00 0.00 -3.67 9.51 -0.00 -1.88 0.45 116.42 120.83 1j3r h ASP 95 Ca 0.17 0.00 -0.51 0.00 -0.00 0.00 0.00 57.03 56.69 1j3r h ASP 95 Cb 2.23 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 41.56 1j3r h ASP 95 CO -0.00 0.00 0.45 -0.13 -0.00 0.00 0.00 179.24 179.56 1j3r s ARG 96 N -3.77 4.66 0.66 0.28 3.00 0.14 -4.48 118.95 119.43 1j3r s ARG 96 Ca -0.01 1.69 0.03 0.00 0.00 0.00 0.00 55.73 57.44 1j3r s ARG 96 Cb 0.10 -3.26 0.11 0.00 0.00 0.00 0.00 34.95 31.90 1j3r s ARG 96 CO 0.45 0.20 0.91 0.00 0.00 0.00 0.00 175.30 176.86 1j3r s ALA 97 N -0.66 4.07 0.02 2.13 0.00 -1.26 -4.29 121.76 121.76 1j3r s ALA 97 Ca 0.46 -1.86 -0.22 0.00 0.00 0.00 0.00 51.96 50.34 1j3r s ALA 97 Cb -0.29 -1.82 0.05 0.00 0.00 0.00 0.00 23.12 21.06 1j3r s ALA 97 CO 0.36 -1.21 0.50 -2.00 0.00 0.00 0.00 175.76 173.41 1j3r s GLU 98 N -4.95 0.97 -0.05 0.00 2.12 -0.05 -4.29 118.70 112.44 1j3r s GLU 98 Ca 0.64 -0.17 0.02 0.00 0.36 0.00 0.00 54.97 55.83 1j3r s GLU 98 Cb -0.06 0.44 0.01 0.00 0.26 0.00 0.00 34.13 34.79 1j3r s GLU 98 CO 0.42 -0.33 -0.11 0.08 -0.54 0.00 0.00 175.26 174.78 1j3r s VAL 99 N -2.10 1.02 0.06 3.70 1.01 -0.62 -0.28 120.40 123.21 1j3r s VAL 99 Ca -0.07 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.54 1j3r s VAL 99 Cb -0.01 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1j3r s VAL 99 CO 0.01 0.32 -0.16 -0.31 0.00 0.00 0.00 175.10 174.96 1j3r s TYR 100 N 0.51 2.60 -0.22 5.22 4.12 -0.49 -0.66 117.35 128.42 1j3r s TYR 100 Ca -0.10 -0.23 -0.03 0.00 0.02 0.00 0.00 57.07 56.73 1j3r s TYR 100 Cb -0.14 -1.44 0.07 0.00 -1.52 0.00 0.00 41.96 38.94 1j3r s TYR 100 CO 0.02 0.31 0.06 0.12 0.02 0.00 0.00 175.55 176.08 1j3r s PHE 101 N -1.02 1.08 0.17 2.71 5.36 0.61 -0.57 117.98 126.32 1j3r s PHE 101 Ca 0.16 -1.01 -0.31 0.00 -0.96 0.00 0.00 56.93 54.82 1j3r s PHE 101 Cb -0.11 -1.13 -0.09 0.00 -0.34 0.00 0.00 43.02 41.35 1j3r s PHE 101 CO 0.08 -0.68 1.41 0.00 -1.46 0.00 0.00 175.22 174.57 1j3r s ALA 102 N 1.84 3.61 -0.07 11.12 0.00 -0.14 -0.99 121.76 137.13 1j3r s ALA 102 Ca 0.02 1.19 0.03 0.00 0.00 0.00 0.00 51.96 53.20 1j3r s ALA 102 Cb -0.17 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.34 1j3r s ALA 102 CO -0.14 -0.64 -0.02 1.28 0.00 0.00 0.00 175.76 176.24 1j3r n LEU 103 N 3.34 1.38 -3.68 0.00 4.77 0.12 -1.62 117.00 121.30 1j3r n LEU 103 Ca 0.10 -0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.92 1j3r n LEU 103 Cb 0.41 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.38 1j3r n LEU 103 CO 0.59 0.38 0.14 -0.75 -1.33 0.00 0.00 177.39 176.42 1j3r s LYS 104 N -2.16 0.83 2.17 3.23 2.20 -0.43 -4.72 119.74 120.86 1j3r s LYS 104 Ca -0.07 -0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.36 1j3r s LYS 104 Cb 0.02 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.72 1j3r s LYS 104 CO 0.23 -0.26 0.00 0.41 -0.36 0.00 0.00 175.35 175.37 1j3r n GLY 105 N 0.92 -0.89 3.16 5.54 0.00 -1.25 -0.21 105.19 112.47 1j3r n GLY 105 Ca -0.20 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.51 1j3r n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j3r s LYS 106 N 0.00 0.42 0.00 1.61 -2.85 -1.26 -3.91 119.74 113.75 1j3r s LYS 106 Ca 0.00 0.10 0.00 0.00 -1.00 0.00 0.00 55.97 55.07 1j3r s LYS 106 Cb 0.00 0.19 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 1j3r s LYS 106 CO 0.00 -0.08 0.00 0.41 0.10 0.00 0.00 175.35 175.78 1j3r n GLY 107 N 2.29 2.37 3.61 0.59 0.00 -0.66 -2.51 105.19 110.87 1j3r n GLY 107 Ca -0.17 -0.24 -0.05 0.00 0.00 0.00 0.00 46.02 45.56 1j3r n GLY 107 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j3r s GLY 108 N 0.00 -0.36 -0.07 -0.02 0.00 -0.57 -0.40 107.32 105.90 1j3r s GLY 108 Ca 0.00 0.77 0.04 0.00 0.00 0.00 0.00 44.72 45.53 1j3r s GLY 108 CO 0.00 0.23 -0.19 -0.29 0.00 0.00 0.00 173.10 172.85 1j3r s MET 109 N -3.01 2.69 -0.22 2.90 1.75 0.71 -0.72 119.30 123.40 1j3r s MET 109 Ca 0.09 -0.80 -0.07 0.00 -1.25 0.00 0.00 55.69 53.66 1j3r s MET 109 Cb -0.00 -2.32 -0.03 0.00 2.84 0.00 0.00 34.83 35.31 1j3r s MET 109 CO -0.04 0.43 0.06 -1.17 -0.65 0.00 0.00 175.02 173.65 1j3r s LEU 110 N -0.25 3.52 0.16 4.11 2.96 0.39 -0.58 118.68 129.00 1j3r s LEU 110 Ca 0.00 -0.12 0.11 0.00 -0.22 0.00 0.00 54.13 53.90 1j3r s LEU 110 Cb -0.13 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 1j3r s LEU 110 CO 0.03 0.04 -0.24 -0.76 -1.32 0.00 0.00 176.35 174.10 1j3r s LEU 111 N 1.17 2.43 -0.09 -0.68 1.02 0.12 -0.79 118.68 121.85 1j3r s LEU 111 Ca 0.04 -0.79 -0.13 0.00 0.02 0.00 0.00 54.13 53.27 1j3r s LEU 111 Cb -0.14 -1.23 0.03 0.00 0.02 0.00 0.00 46.19 44.87 1j3r s LEU 111 CO 0.03 0.15 0.33 -1.58 0.02 0.00 0.00 176.35 175.29 1j3r s GLN 112 N -2.42 0.48 0.42 1.70 0.74 -0.59 -0.70 119.66 119.30 1j3r s GLN 112 Ca 0.18 0.27 0.08 0.00 0.05 0.00 0.00 55.36 55.94 1j3r s GLN 112 Cb -0.09 0.22 0.01 0.00 1.10 0.00 0.00 33.01 34.25 1j3r s GLN 112 CO 0.09 -0.09 0.54 0.95 -0.55 0.00 0.00 175.29 176.23 1j3r s THR 113 N -0.28 2.92 0.14 -0.34 -4.23 -0.42 0.43 115.64 113.86 1j3r s THR 113 Ca -0.04 -1.05 0.25 0.00 -1.18 0.00 0.00 61.69 59.66 1j3r s THR 113 Cb -0.03 -2.98 0.25 0.00 1.34 0.00 0.00 72.50 71.08 1j3r s THR 113 CO 0.02 0.00 1.85 -0.65 -0.54 0.00 0.00 174.62 175.29 1j3r h PRO 114 N 0.69 0.00 -0.21 3.99 0.11 -1.91 -2.27 132.00 132.40 1j3r h PRO 114 Ca -0.40 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.61 1j3r h PRO 114 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1j3r h PRO 114 CO 0.47 0.20 -0.30 1.49 -0.21 0.00 0.00 178.00 179.65 1j3r h GLU 115 N 0.00 0.43 0.00 1.05 4.81 -1.95 -3.47 114.58 115.45 1j3r h GLU 115 Ca -0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1j3r h GLU 115 Cb 0.71 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1j3r h GLU 115 CO 0.03 0.69 0.00 0.41 -0.73 0.00 0.00 179.01 179.40 1j3r n GLY 116 N -0.31 0.97 3.77 1.92 0.00 -0.85 -5.12 105.19 105.57 1j3r n GLY 116 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1j3r n GLY 116 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j3r s GLU 117 N 0.00 4.22 -0.04 1.61 2.12 -1.26 -4.74 118.70 120.61 1j3r s GLU 117 Ca 0.00 2.42 0.04 0.00 0.36 0.00 0.00 54.97 57.78 1j3r s GLU 117 Cb 0.00 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.37 1j3r s GLU 117 CO 0.00 -0.40 -0.14 0.00 -0.54 0.00 0.00 175.26 174.18 1j3r s ALA 118 N -0.98 1.30 0.01 6.30 0.00 -1.26 -1.31 121.76 125.82 1j3r s ALA 118 Ca 0.52 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.95 1j3r s ALA 118 Cb -0.44 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 1j3r s ALA 118 CO 0.57 0.22 -0.07 1.03 0.00 0.00 0.00 175.76 177.51 1j3r s ARG 119 N 0.13 0.53 -0.14 0.00 1.81 0.12 -4.98 118.95 116.42 1j3r s ARG 119 Ca -0.04 -0.41 0.01 0.00 -1.72 0.00 0.00 55.73 53.56 1j3r s ARG 119 Cb -0.11 -0.45 0.02 0.00 -0.45 0.00 0.00 34.95 33.96 1j3r s ARG 119 CO 0.02 0.11 -0.14 0.12 -0.68 0.00 0.00 175.30 174.73 1j3r s PHE 120 N -0.56 2.08 -0.20 -0.53 5.36 -1.26 0.13 117.98 123.01 1j3r s PHE 120 Ca -0.01 -1.11 -0.02 0.00 -0.96 0.00 0.00 56.93 54.82 1j3r s PHE 120 Cb -0.05 -1.53 -0.00 0.00 -0.34 0.00 0.00 43.02 41.10 1j3r s PHE 120 CO 0.00 -0.61 -0.10 0.42 -1.46 0.00 0.00 175.22 173.47 1j3r s ILE 121 N 1.36 2.92 0.40 3.12 1.01 0.25 -4.94 121.20 125.33 1j3r s ILE 121 Ca 0.02 -0.65 -0.25 0.00 0.00 0.00 0.00 60.65 59.77 1j3r s ILE 121 Cb -0.13 -2.29 -0.08 0.00 0.01 0.00 0.00 42.46 39.96 1j3r s ILE 121 CO -0.08 0.47 1.13 -1.61 0.00 0.00 0.00 174.94 174.85 1j3r s GLU 122 N 1.27 4.07 -0.03 2.79 2.02 -1.26 -0.21 118.70 127.36 1j3r s GLU 122 Ca 0.03 1.72 0.02 0.00 0.02 0.00 0.00 54.97 56.77 1j3r s GLU 122 Cb -0.14 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.48 1j3r s GLU 122 CO -0.05 -0.27 -0.08 -1.64 0.02 0.00 0.00 175.26 173.24 1j3r s MET 123 N -2.38 0.90 0.11 1.61 -1.94 0.46 -4.89 119.30 113.18 1j3r s MET 123 Ca 0.58 -0.27 -0.01 0.00 -1.71 0.00 0.00 55.69 54.28 1j3r s MET 123 Cb -0.28 -0.85 -0.04 0.00 2.01 0.00 0.00 34.83 35.67 1j3r s MET 123 CO 0.35 0.09 0.02 -1.83 -0.01 0.00 0.00 175.02 173.64 1j3r s GLU 124 N 0.24 0.84 0.13 2.03 -1.05 -1.26 -1.65 118.70 117.99 1j3r s GLU 124 Ca -0.04 -1.38 -0.35 0.00 -0.15 0.00 0.00 54.97 53.06 1j3r s GLU 124 Cb -0.09 0.19 -0.16 0.00 -0.44 0.00 0.00 34.13 33.64 1j3r s GLU 124 CO 0.00 -0.20 1.29 -2.30 0.95 0.00 0.00 175.26 175.00 1j3r n PRO 125 N -0.04 1.28 0.00 -4.83 -0.02 -1.25 -0.60 135.00 129.54 1j3r n PRO 125 Ca -0.08 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1j3r n PRO 125 Cb 0.63 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1j3r n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j3r n GLY 126 N 2.37 3.07 3.69 -1.23 0.00 -0.64 -4.99 105.19 107.46 1j3r n GLY 126 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1j3r n GLY 126 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j3r s THR 127 N -2.88 3.86 -0.21 2.61 2.01 0.24 -4.86 115.64 116.41 1j3r s THR 127 Ca 0.00 1.23 -0.06 0.00 0.31 0.00 0.00 61.69 63.17 1j3r s THR 127 Cb 0.00 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 1j3r s THR 127 CO 0.00 0.00 0.02 -0.63 -0.69 0.00 0.00 174.62 173.32 1j3r s ILE 128 N 2.29 4.09 -0.18 1.82 1.01 -1.26 -0.96 121.20 128.00 1j3r s ILE 128 Ca 0.61 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.97 1j3r s ILE 128 Cb -0.30 -2.87 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 1j3r s ILE 128 CO 0.25 0.40 -0.04 -0.69 0.00 0.00 0.00 174.94 174.87 1j3r s VAL 129 N 1.15 3.67 -0.36 2.92 1.01 0.27 -4.97 120.40 124.09 1j3r s VAL 129 Ca 0.03 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 1j3r s VAL 129 Cb -0.14 -2.63 -0.00 0.00 0.00 0.00 0.00 36.38 33.60 1j3r s VAL 129 CO 0.02 0.46 0.42 -0.47 0.00 0.00 0.00 175.10 175.53 1j3r s TYR 130 N 0.84 3.19 -0.48 5.22 5.04 -1.26 -1.39 117.35 128.51 1j3r s TYR 130 Ca -0.01 -0.03 -0.17 0.00 -2.44 0.00 0.00 57.07 54.42 1j3r s TYR 130 Cb -0.15 -2.78 0.06 0.00 0.35 0.00 0.00 41.96 39.45 1j3r s TYR 130 CO 0.02 -0.51 0.48 0.08 -1.34 0.00 0.00 175.55 174.27 1j3r s VAL 131 N 2.14 5.10 0.94 3.14 1.01 0.62 -5.01 120.40 128.35 1j3r s VAL 131 Ca 0.14 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 1j3r s VAL 131 Cb -0.16 -4.18 0.15 0.00 0.00 0.00 0.00 36.38 32.19 1j3r s VAL 131 CO 0.12 -0.64 1.09 -2.84 0.00 0.00 0.00 175.10 172.83 1j3r s PRO 132 N 2.01 0.91 0.44 2.72 0.02 -1.26 -0.87 135.00 138.97 1j3r s PRO 132 Ca 0.08 0.84 -0.25 0.00 0.02 0.00 0.00 61.00 61.69 1j3r s PRO 132 Cb -0.22 -1.77 -0.09 0.00 0.02 0.00 0.00 34.50 32.45 1j3r s PRO 132 CO 0.09 -2.49 1.39 -2.30 -0.33 0.00 0.00 177.00 173.36 1j3r n PRO 133 N -4.05 2.17 0.00 5.54 -0.02 -1.26 -2.71 135.00 134.66 1j3r n PRO 133 Ca 0.07 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1j3r n PRO 133 Cb 0.55 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1j3r n PRO 133 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1j3r n TYR 134 N -0.21 0.00 -3.22 6.00 4.01 0.16 -4.98 117.16 118.92 1j3r n TYR 134 Ca 0.06 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.41 1j3r n TYR 134 Cb 0.41 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.38 1j3r n TYR 134 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1j3r s TRP 135 N -2.82 3.47 0.60 -0.72 0.52 -1.10 -4.28 118.94 114.62 1j3r s TRP 135 Ca 0.00 0.94 -0.13 0.00 0.02 0.00 0.00 56.10 56.92 1j3r s TRP 135 Cb 0.00 -2.66 -0.04 0.00 -1.15 0.00 0.00 33.47 29.62 1j3r s TRP 135 CO 0.00 0.05 1.03 0.00 0.02 0.00 0.00 176.95 178.05 1j3r s ALA 136 N 1.05 2.94 -0.12 0.98 0.00 0.17 -4.83 121.76 121.96 1j3r s ALA 136 Ca 0.28 0.11 -0.17 0.00 0.00 0.00 0.00 51.96 52.18 1j3r s ALA 136 Cb -0.16 -3.14 0.04 0.00 0.00 0.00 0.00 23.12 19.87 1j3r s ALA 136 CO 0.12 -0.69 0.45 -3.38 0.00 0.00 0.00 175.76 172.26 1j3r s HIS 137 N -2.86 -0.45 0.02 0.00 -3.43 -1.08 -1.54 115.29 105.95 1j3r s HIS 137 Ca 0.58 1.00 0.02 0.00 -0.80 0.00 0.00 55.06 55.86 1j3r s HIS 137 Cb -0.12 0.18 -0.01 0.00 -1.43 0.00 0.00 32.58 31.20 1j3r s HIS 137 CO 0.45 -0.32 -0.06 0.50 -2.00 0.00 0.00 174.74 173.31 1j3r s ARG 138 N -0.29 0.41 -0.09 -0.38 3.52 0.03 -2.54 118.95 119.61 1j3r s ARG 138 Ca -0.04 -0.45 -0.02 0.00 -0.13 0.00 0.00 55.73 55.08 1j3r s ARG 138 Cb -0.03 -0.26 -0.03 0.00 -1.56 0.00 0.00 34.95 33.06 1j3r s ARG 138 CO 0.03 0.06 0.01 0.99 -0.81 0.00 0.00 175.30 175.57 1j3r s THR 139 N -0.78 4.39 -0.02 4.11 2.01 -1.26 -0.46 115.64 123.63 1j3r s THR 139 Ca -0.05 -0.22 0.06 0.00 0.31 0.00 0.00 61.69 61.79 1j3r s THR 139 Cb -0.06 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 1j3r s THR 139 CO -0.00 0.60 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.70 1j3r s ILE 140 N -0.84 1.58 -0.41 1.82 -1.09 0.10 -1.42 121.20 120.95 1j3r s ILE 140 Ca 0.13 -0.85 -0.15 0.00 -2.23 0.00 0.00 60.65 57.55 1j3r s ILE 140 Cb -0.11 -1.32 0.02 0.00 -1.58 0.00 0.00 42.46 39.47 1j3r s ILE 140 CO 0.02 0.45 0.30 0.21 -1.23 0.00 0.00 174.94 174.69 1j3r s ASN 141 N -0.43 6.10 0.00 3.58 3.84 -0.80 -1.50 114.94 125.72 1j3r s ASN 141 Ca 0.07 -0.91 0.22 0.00 0.21 0.00 0.00 52.86 52.45 1j3r s ASN 141 Cb -0.08 -2.16 0.50 0.00 -0.55 0.00 0.00 41.25 38.96 1j3r s ASN 141 CO -0.00 -0.45 1.44 0.35 -2.79 0.00 0.00 177.10 175.64 1j3r n THR 142 N 5.16 0.47 -3.72 -5.21 -2.24 -1.05 -4.30 114.28 103.40 1j3r n THR 142 Ca -0.11 -0.67 -0.14 0.00 -2.27 0.00 0.00 64.05 60.86 1j3r n THR 142 Cb 0.47 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 1j3r n THR 142 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j3r n GLY 143 N 1.43 2.89 1.04 3.38 0.00 -1.19 -4.98 105.19 107.76 1j3r n GLY 143 Ca 0.19 -2.24 0.10 0.00 0.00 0.00 0.00 46.02 44.07 1j3r n GLY 143 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j3r n ASP 144 N -1.91 3.32 -4.41 1.61 5.75 -1.26 -4.45 116.55 115.19 1j3r n ASP 144 Ca -0.01 -1.94 -0.21 0.00 -0.01 0.00 0.00 54.79 52.61 1j3r n ASP 144 Cb 0.34 -0.26 -0.10 0.00 -1.03 0.00 0.00 41.12 40.07 1j3r n ASP 144 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1j3r s LYS 145 N -1.28 1.51 0.38 0.11 -0.14 -1.26 -4.79 119.74 114.28 1j3r s LYS 145 Ca 0.35 -1.72 -0.27 0.00 -1.36 0.00 0.00 55.97 52.98 1j3r s LYS 145 Cb 0.20 -1.33 -0.11 0.00 -1.68 0.00 0.00 37.83 34.91 1j3r s LYS 145 CO 0.28 0.18 1.28 -2.30 -0.76 0.00 0.00 175.35 174.02 1j3r n PRO 146 N -0.53 2.02 -3.66 -1.68 -0.02 -1.26 -4.32 135.00 125.55 1j3r n PRO 146 Ca -0.06 0.71 -0.39 0.00 -2.02 0.00 0.00 63.50 61.74 1j3r n PRO 146 Cb 0.61 -2.36 -0.12 0.00 -0.02 0.00 0.00 33.50 31.62 1j3r n PRO 146 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1j3r s PHE 147 N -1.15 3.21 -0.12 6.00 5.36 -0.03 -3.78 117.98 127.48 1j3r s PHE 147 Ca 0.58 -0.94 -0.01 0.00 -0.96 0.00 0.00 56.93 55.60 1j3r s PHE 147 Cb -0.53 -2.36 -0.02 0.00 -0.34 0.00 0.00 43.02 39.76 1j3r s PHE 147 CO 0.60 -0.60 -0.08 0.42 -1.46 0.00 0.00 175.22 174.10 1j3r s ILE 148 N 1.54 3.53 0.02 3.12 -1.09 0.71 -1.18 121.20 127.84 1j3r s ILE 148 Ca 0.02 -0.51 -0.16 0.00 -2.23 0.00 0.00 60.65 57.78 1j3r s ILE 148 Cb -0.18 -2.49 0.03 0.00 -1.58 0.00 0.00 42.46 38.23 1j3r s ILE 148 CO 0.05 0.54 0.34 0.72 -1.23 0.00 0.00 174.94 175.36 1j3r s PHE 149 N -0.02 -0.18 -0.12 3.97 -0.12 -0.95 0.11 117.98 120.68 1j3r s PHE 149 Ca -0.01 0.18 -0.05 0.00 -0.05 0.00 0.00 56.93 57.01 1j3r s PHE 149 Cb -0.14 0.13 -0.04 0.00 -0.63 0.00 0.00 43.02 42.34 1j3r s PHE 149 CO 0.03 -0.47 0.06 -1.17 -0.05 0.00 0.00 175.22 173.62 1j3r s LEU 150 N -1.70 3.90 -0.03 -1.99 2.96 -0.16 -0.66 118.68 121.00 1j3r s LEU 150 Ca -0.09 0.25 0.05 0.00 -0.22 0.00 0.00 54.13 54.12 1j3r s LEU 150 Cb -0.03 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 1j3r s LEU 150 CO 0.01 0.35 -0.19 0.00 -1.32 0.00 0.00 176.35 175.20 1j3r s ALA 151 N -0.70 1.59 -0.05 5.97 0.00 0.14 -0.28 121.76 128.42 1j3r s ALA 151 Ca 0.12 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.33 1j3r s ALA 151 Cb -0.12 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.55 1j3r s ALA 151 CO 0.02 0.35 -0.16 -0.51 0.00 0.00 0.00 175.76 175.46 1j3r s LEU 152 N -0.26 1.86 0.05 0.00 1.02 0.16 -0.75 118.68 120.75 1j3r s LEU 152 Ca 0.03 -0.35 -0.16 0.00 0.02 0.00 0.00 54.13 53.67 1j3r s LEU 152 Cb -0.09 -0.95 0.03 0.00 0.02 0.00 0.00 46.19 45.20 1j3r s LEU 152 CO 0.01 0.12 0.37 -0.72 0.02 0.00 0.00 176.35 176.14 1j3r s TYR 153 N 0.23 -0.20 0.24 0.29 -0.85 -0.24 -1.58 117.35 115.24 1j3r s TYR 153 Ca -0.08 0.12 -0.31 0.00 -0.52 0.00 0.00 57.07 56.28 1j3r s TYR 153 Cb -0.13 0.17 -0.13 0.00 0.38 0.00 0.00 41.96 42.25 1j3r s TYR 153 CO 0.03 -0.55 1.46 -2.30 -1.52 0.00 0.00 175.55 172.68 1j3r n PRO 154 N 0.52 2.19 0.31 -3.49 -0.02 -1.26 -0.55 135.00 132.70 1j3r n PRO 154 Ca -0.18 0.78 0.21 0.00 -2.02 0.00 0.00 63.50 62.29 1j3r n PRO 154 Cb 0.60 -2.47 1.08 0.00 -0.02 0.00 0.00 33.50 32.68 1j3r n PRO 154 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j3r h ALA 155 N 4.49 1.00 -0.44 3.55 0.00 -1.38 -1.65 119.26 124.83 1j3r h ALA 155 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1j3r h ALA 155 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1j3r h ALA 155 CO 0.78 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.63 1j3r n ASP 156 N -3.00 3.55 -0.19 0.00 5.75 -1.24 -4.03 116.55 117.39 1j3r n ASP 156 Ca -0.02 -2.24 -0.08 0.00 -0.01 0.00 0.00 54.79 52.44 1j3r n ASP 156 Cb 0.11 -0.38 0.05 0.00 -1.03 0.00 0.00 41.12 39.87 1j3r n ASP 156 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1j3r h ALA 157 N 2.69 0.88 -1.19 2.12 0.00 -1.64 -3.41 119.26 118.71 1j3r h ALA 157 Ca 0.00 -0.31 0.14 0.00 0.00 0.00 0.00 54.91 54.74 1j3r h ALA 157 Cb 1.01 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1j3r h ALA 157 CO 0.07 0.66 -0.25 0.41 0.00 0.00 0.00 179.25 180.14 1j3r n GLY 158 N -0.45 -1.83 3.04 0.00 0.00 -1.26 -0.88 105.19 103.81 1j3r n GLY 158 Ca 0.03 -1.38 -0.24 0.00 0.00 0.00 0.00 46.02 44.42 1j3r n GLY 158 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j3r s HIS 159 N -1.92 1.46 -0.43 1.61 3.76 -1.26 -3.30 115.29 115.20 1j3r s HIS 159 Ca 0.00 -0.51 0.03 0.00 -0.15 0.00 0.00 55.06 54.43 1j3r s HIS 159 Cb 0.00 -1.05 0.12 0.00 1.11 0.00 0.00 32.58 32.76 1j3r s HIS 159 CO 0.00 -0.24 0.20 0.34 -0.85 0.00 0.00 174.74 174.19 1j3r s ASP 160 N 0.52 4.06 -0.10 1.40 3.68 0.33 -4.48 116.67 122.09 1j3r s ASP 160 Ca -0.12 -2.56 0.05 0.00 2.13 0.00 0.00 52.55 52.05 1j3r s ASP 160 Cb -0.15 -1.29 -0.24 0.00 -1.45 0.00 0.00 42.92 39.80 1j3r s ASP 160 CO 0.03 -0.29 0.44 -1.22 0.13 0.00 0.00 175.17 174.26 1j3r n TYR 161 N 3.67 0.95 -0.27 -5.34 4.02 -1.26 -1.62 117.16 117.31 1j3r n TYR 161 Ca 0.05 0.27 -0.07 0.00 -0.01 0.00 0.00 57.90 58.15 1j3r n TYR 161 Cb 0.36 -1.15 -0.06 0.00 -0.02 0.00 0.00 39.34 38.46 1j3r n TYR 161 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1j3r n GLY 162 N 1.79 -2.30 0.29 2.72 0.00 -1.26 -1.16 105.19 105.26 1j3r n GLY 162 Ca -0.26 0.88 0.09 0.00 0.00 0.00 0.00 46.02 46.72 1j3r n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1j3r h THR 163 N 0.00 0.41 -0.20 2.61 2.02 -1.99 0.84 112.91 116.59 1j3r h THR 163 Ca 0.10 -0.08 -0.06 0.00 0.77 0.00 0.00 66.41 67.14 1j3r h THR 163 Cb 0.26 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1j3r h THR 163 CO -0.59 0.04 -0.12 0.40 0.37 0.00 0.00 175.52 175.62 1j3r h ILE 164 N 0.22 1.31 -0.05 3.11 1.08 -1.41 0.24 117.51 122.02 1j3r h ILE 164 Ca 0.47 -1.20 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 1j3r h ILE 164 Cb 0.87 1.67 -0.00 0.00 -3.07 0.00 0.00 36.82 36.29 1j3r h ILE 164 CO -0.59 0.37 0.03 0.00 -0.69 0.00 0.00 178.15 177.26 1j3r h ALA 165 N 0.69 1.97 -1.18 1.87 0.00 -0.22 0.19 119.26 122.57 1j3r h ALA 165 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1j3r h ALA 165 Cb 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1j3r h ALA 165 CO 0.03 0.03 0.00 -1.91 0.00 0.00 0.00 179.25 177.40 1j3r n GLU 166 N -4.53 0.00 0.08 0.00 4.07 0.20 -4.69 120.64 115.77 1j3r n GLU 166 Ca -0.02 0.28 -0.12 0.00 -0.06 0.00 0.00 57.16 57.23 1j3r n GLU 166 Cb 0.09 -0.76 -0.08 0.00 -0.06 0.00 0.00 31.44 30.63 1j3r n GLU 166 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1j3r h LYS 167 N 0.00 -0.25 0.00 5.31 1.79 -0.59 -3.51 116.57 119.32 1j3r h LYS 167 Ca 0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1j3r h LYS 167 Cb 0.00 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1j3r h LYS 167 CO 0.00 0.14 0.00 0.41 -1.08 0.00 0.00 179.45 178.92 1j3r n GLY 168 N 0.11 0.13 3.82 3.86 0.00 0.68 -4.39 105.19 109.40 1j3r n GLY 168 Ca -0.09 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 1j3r n GLY 168 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j3r s PHE 169 N -2.04 3.36 -2.00 1.61 0.08 -1.26 -4.92 117.98 112.81 1j3r s PHE 169 Ca 0.00 1.60 0.18 0.00 0.12 0.00 0.00 56.93 58.83 1j3r s PHE 169 Cb 0.00 -2.83 1.08 0.00 -0.57 0.00 0.00 43.02 40.70 1j3r s PHE 169 CO 0.00 -0.05 1.48 -1.13 -0.10 0.00 0.00 175.22 175.42 1j3r n SER 170 N -0.47 0.00 -4.10 1.36 3.41 -1.26 -4.64 113.62 107.92 1j3r n SER 170 Ca 0.06 -0.62 -0.08 0.00 -0.26 0.00 0.00 58.87 57.96 1j3r n SER 170 Cb 0.53 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.39 1j3r n SER 170 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1j3r s LYS 171 N -2.00 0.77 0.05 4.33 -0.14 -1.26 -2.17 119.74 119.32 1j3r s LYS 171 Ca 0.27 -1.30 0.04 0.00 -1.36 0.00 0.00 55.97 53.62 1j3r s LYS 171 Cb 0.12 0.24 -0.02 0.00 -1.68 0.00 0.00 37.83 36.49 1j3r s LYS 171 CO 0.21 -0.19 -0.11 0.96 -0.76 0.00 0.00 175.35 175.46 1j3r s ILE 172 N -3.97 0.88 -0.33 2.17 -4.36 0.13 -4.66 121.20 111.06 1j3r s ILE 172 Ca 0.14 -1.09 -0.05 0.00 -0.26 0.00 0.00 60.65 59.40 1j3r s ILE 172 Cb 0.07 -0.85 0.05 0.00 1.25 0.00 0.00 42.46 42.98 1j3r s ILE 172 CO -0.05 -0.20 0.07 -0.69 0.24 0.00 0.00 174.94 174.31 1j3r s VAL 173 N -1.13 3.49 0.30 8.37 1.01 -1.26 -2.08 120.40 129.10 1j3r s VAL 173 Ca -0.04 -1.26 0.07 0.00 0.00 0.00 0.00 61.98 60.75 1j3r s VAL 173 Cb -0.09 -3.01 -0.06 0.00 0.00 0.00 0.00 36.38 33.22 1j3r s VAL 173 CO 0.01 -0.18 -0.05 0.68 0.00 0.00 0.00 175.10 175.56 1j3r s VAL 174 N 1.34 1.74 -0.26 2.92 -7.23 -0.28 -2.72 120.40 115.91 1j3r s VAL 174 Ca -0.02 -2.12 -0.11 0.00 -1.81 0.00 0.00 61.98 57.92 1j3r s VAL 174 Cb -0.20 -2.55 -0.05 0.00 0.56 0.00 0.00 36.38 34.14 1j3r s VAL 174 CO 0.01 -0.24 0.17 -0.70 -0.31 0.00 0.00 175.10 174.04 1j3r s GLU 175 N -3.72 4.02 -0.42 4.82 2.56 0.03 0.13 118.70 126.11 1j3r s GLU 175 Ca 0.31 -0.29 0.06 0.00 0.00 0.00 0.00 54.97 55.05 1j3r s GLU 175 Cb 0.04 -3.59 0.20 0.00 2.00 0.00 0.00 34.13 32.78 1j3r s GLU 175 CO 0.13 -0.05 0.48 0.39 -0.56 0.00 0.00 175.26 175.65 1j3r n GLU 176 N 4.64 0.44 0.00 4.30 1.02 -1.26 -4.89 120.64 124.88 1j3r n GLU 176 Ca -0.15 -2.99 0.00 0.00 -0.02 0.00 0.00 57.16 54.01 1j3r n GLU 176 Cb 0.52 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1j3r n GLU 176 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1j3r n ASN 177 N 2.27 0.00 -4.30 1.62 3.02 -1.26 -4.71 115.26 111.90 1j3r n ASN 177 Ca 0.24 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.51 1j3r n ASN 177 Cb 0.51 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.63 1j3r n ASN 177 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j3r n GLY 178 N 0.00 3.64 3.66 7.41 0.00 -1.26 -5.10 105.19 113.54 1j3r n GLY 178 Ca 0.00 -2.34 -0.43 0.00 0.00 0.00 0.00 46.02 43.25 1j3r n GLY 178 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j3r s LYS 179 N -3.59 4.25 -0.12 1.61 2.36 -1.26 -4.32 119.74 118.67 1j3r s LYS 179 Ca 0.01 1.45 0.03 0.00 -2.55 0.00 0.00 55.97 54.91 1j3r s LYS 179 Cb 0.00 -3.68 0.01 0.00 -1.05 0.00 0.00 37.83 33.10 1j3r s LYS 179 CO 0.01 -0.66 -0.22 0.08 1.55 0.00 0.00 175.35 176.10 1j3r s VAL 180 N 3.31 2.01 -0.42 4.02 1.01 0.12 -4.97 120.40 125.47 1j3r s VAL 180 Ca 0.47 -0.97 -0.13 0.00 0.00 0.00 0.00 61.98 61.35 1j3r s VAL 180 Cb -0.17 -1.76 0.05 0.00 0.00 0.00 0.00 36.38 34.49 1j3r s VAL 180 CO 0.09 0.54 0.30 -0.69 0.00 0.00 0.00 175.10 175.35 1j3r s VAL 181 N 0.62 4.94 0.33 2.92 1.01 -1.26 -1.12 120.40 127.83 1j3r s VAL 181 Ca -0.12 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 60.96 1j3r s VAL 181 Cb -0.17 -3.86 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 1j3r s VAL 181 CO 0.03 -0.41 0.02 0.54 0.00 0.00 0.00 175.10 175.28 1j3r s VAL 182 N 1.60 1.42 0.63 2.92 0.11 -0.88 -4.97 120.40 121.23 1j3r s VAL 182 Ca 0.04 -2.03 -0.18 0.00 -2.93 0.00 0.00 61.98 56.88 1j3r s VAL 182 Cb -0.21 -2.74 -0.02 0.00 -1.53 0.00 0.00 36.38 31.88 1j3r s VAL 182 CO 0.07 -0.07 1.26 -0.54 -3.33 0.00 0.00 175.10 172.49 1j3r s LYS 183 N -3.83 2.69 -0.35 1.54 1.02 -1.26 -0.69 119.74 118.86 1j3r s LYS 183 Ca 0.35 1.97 -0.13 0.00 0.02 0.00 0.00 55.97 58.17 1j3r s LYS 183 Cb 0.08 -1.87 -0.01 0.00 -0.52 0.00 0.00 37.83 35.50 1j3r s LYS 183 CO 0.15 -1.47 0.25 0.34 -0.92 0.00 0.00 175.35 173.70 1j3r s ASP 184 N -1.49 6.07 0.15 2.83 2.15 -0.92 -4.50 116.67 120.96 1j3r s ASP 184 Ca 0.81 -0.48 -0.26 0.00 0.43 0.00 0.00 52.55 53.05 1j3r s ASP 184 Cb -0.35 -2.14 0.01 0.00 -0.30 0.00 0.00 42.92 40.14 1j3r s ASP 184 CO 0.37 -0.26 1.58 -1.13 -0.17 0.00 0.00 175.17 175.57 1j3r h ASN 185 N 8.51 -1.29 -0.05 -0.34 -0.73 -1.93 -2.38 115.58 117.37 1j3r h ASN 185 Ca -0.31 0.20 0.00 0.00 1.87 0.00 0.00 56.30 58.06 1j3r h ASN 185 Cb 1.15 0.57 0.00 0.00 0.27 0.00 0.00 38.32 40.31 1j3r h ASN 185 CO 0.64 -0.36 0.00 -0.81 -0.37 0.00 0.00 177.43 176.53 1j3r n PRO 186 N -5.42 1.31 0.00 6.67 -0.04 -1.26 -5.21 135.00 131.05 1j3r n PRO 186 Ca -0.01 -0.27 0.04 0.00 -0.04 0.00 0.00 63.50 63.22 1j3r n PRO 186 Cb 0.35 -1.47 0.22 0.00 -0.04 0.00 0.00 33.50 32.55 1j3r n PRO 186 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63