#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3r s LYS 2 N 0.00 3.48 0.60 3.17 2.20 -1.26 -5.08 119.74 122.86 1j3r s LYS 2 Ca 0.00 -0.65 -0.11 0.00 -0.36 0.00 0.00 55.97 54.85 1j3r s LYS 2 Cb 0.00 -3.78 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 1j3r s LYS 2 CO 0.00 -0.44 1.01 0.71 -0.36 0.00 0.00 175.35 176.27 1j3r s TYR 3 N 1.71 3.61 0.31 4.03 2.02 -1.26 -5.06 117.35 122.71 1j3r s TYR 3 Ca 0.06 1.26 -0.18 0.00 -0.37 0.00 0.00 57.07 57.84 1j3r s TYR 3 Cb -0.17 -2.69 -0.09 0.00 -0.40 0.00 0.00 41.96 38.61 1j3r s TYR 3 CO 0.10 -0.63 0.78 0.15 -1.57 0.00 0.00 175.55 174.37 1j3r s LYS 4 N -5.07 4.15 0.13 -0.62 1.02 -1.26 -5.04 119.74 113.05 1j3r s LYS 4 Ca 0.55 0.84 -0.26 0.00 0.02 0.00 0.00 55.97 57.12 1j3r s LYS 4 Cb -0.11 -2.56 -0.07 0.00 -0.52 0.00 0.00 37.83 34.57 1j3r s LYS 4 CO 0.52 0.21 0.80 -1.21 -0.92 0.00 0.00 175.35 174.75 1j3r s GLU 5 N -2.64 4.57 0.86 1.68 0.41 -1.26 -5.06 118.70 117.27 1j3r s GLU 5 Ca 0.52 1.17 -0.12 0.00 -0.41 0.00 0.00 54.97 56.13 1j3r s GLU 5 Cb -0.13 -3.30 0.11 0.00 -1.78 0.00 0.00 34.13 29.03 1j3r s GLU 5 CO 0.18 0.45 1.12 -1.25 -0.49 0.00 0.00 175.26 175.27 1j3r s PRO 6 N -0.72 1.56 0.09 0.39 0.04 -1.26 -5.07 135.00 130.04 1j3r s PRO 6 Ca 0.38 0.48 -0.25 0.00 0.04 0.00 0.00 61.00 61.64 1j3r s PRO 6 Cb -0.22 -1.87 0.08 0.00 0.04 0.00 0.00 34.50 32.52 1j3r s PRO 6 CO 0.26 -1.95 0.70 -0.59 0.04 0.00 0.00 177.00 175.47 1j3r s PHE 7 N -3.20 -0.48 -0.05 0.56 -0.12 -1.26 -5.15 117.98 108.27 1j3r s PHE 7 Ca 0.62 0.35 0.06 0.00 -0.05 0.00 0.00 56.93 57.91 1j3r s PHE 7 Cb -0.15 0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 42.77 1j3r s PHE 7 CO 0.54 -0.73 -0.24 0.20 -0.05 0.00 0.00 175.22 174.94 1j3r s GLY 8 N -2.54 1.32 0.02 1.99 0.00 -1.26 -5.13 107.32 101.73 1j3r s GLY 8 Ca 0.01 -1.06 0.03 0.00 0.00 0.00 0.00 44.72 43.71 1j3r s GLY 8 CO -0.10 -0.74 -0.10 -1.34 0.00 0.00 0.00 173.10 170.82 1j3r s VAL 9 N -0.35 0.77 -0.03 1.40 -7.23 -1.26 -5.14 120.40 108.56 1j3r s VAL 9 Ca 0.02 -0.78 -0.21 0.00 -1.81 0.00 0.00 61.98 59.21 1j3r s VAL 9 Cb -0.12 -0.72 -0.05 0.00 0.56 0.00 0.00 36.38 36.05 1j3r s VAL 9 CO 0.02 -0.04 0.59 -0.75 -0.31 0.00 0.00 175.10 174.61 1j3r s LYS 10 N -0.91 4.33 -0.19 4.82 2.47 -1.26 -4.92 119.74 124.08 1j3r s LYS 10 Ca -0.01 0.72 -0.03 0.00 -1.56 0.00 0.00 55.97 55.08 1j3r s LYS 10 Cb -0.07 -3.37 -0.02 0.00 -1.46 0.00 0.00 37.83 32.92 1j3r s LYS 10 CO 0.00 0.30 -0.05 -1.17 0.16 0.00 0.00 175.35 174.60 1j3r s LEU 11 N 0.04 3.02 -0.51 5.43 0.20 -1.26 -1.57 118.68 124.04 1j3r s LEU 11 Ca 0.31 -0.28 -0.24 0.00 0.69 0.00 0.00 54.13 54.61 1j3r s LEU 11 Cb -0.18 -1.75 0.04 0.00 -0.43 0.00 0.00 46.19 43.87 1j3r s LEU 11 CO 0.16 0.07 0.91 -0.62 -0.29 0.00 0.00 176.35 176.58 1j3r s ASP 12 N 0.94 6.39 0.54 3.68 -1.08 -0.28 -4.92 116.67 121.95 1j3r s ASP 12 Ca -0.00 -0.19 0.28 0.00 -0.52 0.00 0.00 52.55 52.11 1j3r s ASP 12 Cb -0.15 -2.43 1.44 0.00 -1.46 0.00 0.00 42.92 40.32 1j3r s ASP 12 CO 0.01 -1.12 1.95 -0.26 0.52 0.00 0.00 175.17 176.27 1j3r h PHE 13 N 9.19 0.00 0.16 -5.34 0.04 -1.96 0.55 116.94 119.59 1j3r h PHE 13 Ca -0.25 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.19 1j3r h PHE 13 Cb 1.08 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.23 1j3r h PHE 13 CO 0.88 0.00 -1.63 0.93 -0.60 0.00 0.00 178.31 177.89 1j3r h GLU 14 N 0.00 0.35 0.00 1.51 4.39 -1.96 -3.39 114.58 115.48 1j3r h GLU 14 Ca 0.32 -0.59 -0.07 0.00 0.34 0.00 0.00 59.36 59.35 1j3r h GLU 14 Cb 1.28 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 30.14 1j3r h GLU 14 CO -0.00 1.24 -1.85 0.25 -1.16 0.00 0.00 179.01 177.49 1j3r n THR 15 N -3.54 0.41 -0.96 1.13 -2.24 -1.01 -4.97 114.28 103.09 1j3r n THR 15 Ca -0.20 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1j3r n THR 15 Cb 1.07 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 1.33 0.74 3.74 3.38 0.00 0.19 -4.94 105.19 109.63 1j3r n GLY 16 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.92 4.64 -0.23 -0.61 1.01 -1.24 -4.73 121.20 117.12 1j3r s ILE 17 Ca 0.00 1.75 -0.05 0.00 0.00 0.00 0.00 60.65 62.35 1j3r s ILE 17 Cb 0.00 -4.17 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 1j3r s ILE 17 CO 0.00 0.37 -0.00 -0.63 0.00 0.00 0.00 174.94 174.67 1j3r s ILE 18 N -0.14 3.74 0.32 2.92 1.01 -1.26 -1.12 121.20 126.67 1j3r s ILE 18 Ca 0.40 -0.37 -0.29 0.00 0.00 0.00 0.00 60.65 60.39 1j3r s ILE 18 Cb -0.21 -2.72 -0.12 0.00 0.01 0.00 0.00 42.46 39.42 1j3r s ILE 18 CO 0.25 0.40 1.53 -1.84 0.00 0.00 0.00 174.94 175.28 1j3r n GLU 19 N 4.77 2.62 -1.10 2.79 0.28 -0.61 -2.32 120.64 127.07 1j3r n GLU 19 Ca -0.17 0.93 -0.03 0.00 -0.16 0.00 0.00 57.16 57.72 1j3r n GLU 19 Cb 0.51 -2.67 -0.01 0.00 1.43 0.00 0.00 31.44 30.69 1j3r n GLU 19 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1j3r n ASN 20 N 1.56 -4.50 -4.92 -1.84 4.13 -1.26 -4.69 115.26 103.74 1j3r n ASN 20 Ca 0.06 0.08 -0.26 0.00 1.68 0.00 0.00 54.58 56.15 1j3r n ASN 20 Cb 0.37 -2.29 0.01 0.00 -1.54 0.00 0.00 39.78 36.33 1j3r n ASN 20 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1j3r s ALA 21 N -1.76 3.47 -0.20 5.41 0.00 -0.98 -4.99 121.76 122.71 1j3r s ALA 21 Ca 0.00 -0.73 -0.24 0.00 0.00 0.00 0.00 51.96 50.99 1j3r s ALA 21 Cb 0.00 -2.46 -0.01 0.00 0.00 0.00 0.00 23.12 20.65 1j3r s ALA 21 CO 0.00 -0.49 0.81 0.21 0.00 0.00 0.00 175.76 176.28 1j3r s LYS 22 N -4.76 4.24 -0.06 0.00 2.20 0.12 -4.79 119.74 116.69 1j3r s LYS 22 Ca 0.49 0.94 -0.14 0.00 -0.36 0.00 0.00 55.97 56.91 1j3r s LYS 22 Cb -0.10 -3.60 -0.05 0.00 -1.51 0.00 0.00 37.83 32.56 1j3r s LYS 22 CO 0.43 -0.40 0.35 0.21 -0.36 0.00 0.00 175.35 175.58 1j3r s LYS 23 N 2.41 3.94 0.02 4.03 2.20 -1.26 -0.72 119.74 130.37 1j3r s LYS 23 Ca 0.36 0.26 0.04 0.00 -0.36 0.00 0.00 55.97 56.27 1j3r s LYS 23 Cb -0.16 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 32.87 1j3r s LYS 23 CO 0.10 0.57 -0.12 -1.12 -0.36 0.00 0.00 175.35 174.42 1j3r s SER 24 N -0.62 1.44 -0.03 1.43 0.01 0.33 -4.98 113.70 111.29 1j3r s SER 24 Ca 0.21 -0.38 0.05 0.00 1.31 0.00 0.00 55.95 57.14 1j3r s SER 24 Cb -0.15 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 65.97 1j3r s SER 24 CO 0.10 0.04 -0.16 -0.69 0.41 0.00 0.00 173.24 172.93 1j3r s VAL 25 N -0.70 1.34 -0.20 3.43 1.01 -1.26 -0.84 120.40 123.17 1j3r s VAL 25 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1j3r s VAL 25 Cb -0.07 -1.14 0.05 0.00 0.00 0.00 0.00 36.38 35.22 1j3r s VAL 25 CO 0.01 0.39 -0.07 -0.13 0.00 0.00 0.00 175.10 175.29 1j3r s ARG 26 N -0.15 1.70 0.52 2.72 3.00 -0.37 -5.03 118.95 121.34 1j3r s ARG 26 Ca 0.01 -0.81 0.04 0.00 0.00 0.00 0.00 55.73 54.97 1j3r s ARG 26 Cb -0.09 -2.37 0.03 0.00 0.00 0.00 0.00 34.95 32.52 1j3r s ARG 26 CO 0.01 -0.50 0.72 1.03 0.00 0.00 0.00 175.30 176.56 1j3r s ARG 27 N 1.47 2.56 0.37 3.54 0.52 -1.26 -0.52 118.95 125.63 1j3r s ARG 27 Ca -0.02 -1.00 0.06 0.00 -0.52 0.00 0.00 55.73 54.24 1j3r s ARG 27 Cb -0.17 -2.57 0.75 0.00 0.52 0.00 0.00 34.95 33.48 1j3r s ARG 27 CO -0.07 -0.63 1.97 1.25 0.02 0.00 0.00 175.30 177.84 1j3r h LEU 28 N 0.22 0.64 -0.98 2.53 5.85 -1.49 0.12 115.31 122.21 1j3r h LEU 28 Ca -0.40 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1j3r h LEU 28 Cb 1.29 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1j3r h LEU 28 CO 0.48 0.42 0.00 -1.54 -0.34 0.00 0.00 178.44 177.47 1j3r n SER 29 N -4.47 0.61 -0.25 1.25 3.41 -1.26 -1.06 113.62 111.86 1j3r n SER 29 Ca 0.10 0.70 0.13 0.00 -0.26 0.00 0.00 58.87 59.54 1j3r n SER 29 Cb 0.20 -0.81 0.38 0.00 -0.26 0.00 0.00 64.21 63.72 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 -2.23 1.02 -2.11 4.04 8.00 0.43 -4.12 116.55 121.58 1j3r n ASP 30 Ca 0.01 -0.89 -0.24 0.00 0.71 0.00 0.00 54.79 54.38 1j3r n ASP 30 Cb 0.15 0.13 0.02 0.00 -0.02 0.00 0.00 41.12 41.40 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 -0.64 3.52 -1.96 -1.24 2.81 -0.22 -4.96 117.12 114.43 1j3r n MET 31 Ca 0.12 -4.19 -0.42 0.00 -1.81 0.00 0.00 57.70 51.40 1j3r n MET 31 Cb 0.35 -2.25 -0.03 0.00 -0.71 0.00 0.00 33.22 30.58 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 -3.60 4.23 0.00 0.03 2.20 -1.25 -2.29 119.74 119.06 1j3r s LYS 32 Ca 0.50 2.32 0.00 0.00 -0.36 0.00 0.00 55.97 58.43 1j3r s LYS 32 Cb 0.41 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 1j3r s LYS 32 CO 0.01 -0.60 0.00 0.41 -0.36 0.00 0.00 175.35 174.81 1j3r n GLY 33 N 3.74 0.47 0.09 5.54 0.00 -1.26 -4.93 105.19 108.84 1j3r n GLY 33 Ca 0.14 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.88 0.00 -3.66 1.61 4.02 -0.97 -4.91 117.16 110.37 1j3r n TYR 34 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.56 1j3r n TYR 34 Cb 0.00 -0.81 -0.05 0.00 -0.02 0.00 0.00 39.34 38.46 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 -2.41 3.53 0.13 -0.72 0.08 -1.26 -4.99 117.98 112.34 1j3r s PHE 35 Ca -0.16 0.63 -0.13 0.00 0.12 0.00 0.00 56.93 57.39 1j3r s PHE 35 Cb 0.06 -2.04 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 1j3r s PHE 35 CO 0.60 0.50 1.49 0.97 -0.10 0.00 0.00 175.22 178.68 1j3r h ILE 36 N 2.50 1.28 -1.53 0.64 6.09 -1.94 -3.36 117.51 121.19 1j3r h ILE 36 Ca -0.48 -1.34 -0.69 0.00 -1.37 0.00 0.00 64.86 60.98 1j3r h ILE 36 Cb 1.18 1.33 -0.13 0.00 0.47 0.00 0.00 36.82 39.67 1j3r h ILE 36 CO 0.69 0.45 1.68 -0.62 -3.07 0.00 0.00 178.15 177.28 1j3r s ASP 37 N -6.54 6.87 0.52 2.19 -1.08 -1.26 -4.80 116.67 112.57 1j3r s ASP 37 Ca -0.12 -2.50 0.24 0.00 -0.52 0.00 0.00 52.55 49.65 1j3r s ASP 37 Cb 0.10 -2.49 1.43 0.00 -1.46 0.00 0.00 42.92 40.50 1j3r s ASP 37 CO 0.84 -1.04 2.10 1.05 0.52 0.00 0.00 175.17 178.64 1j3r h GLU 38 N 7.79 0.00 -0.21 4.34 4.11 -1.98 -0.58 114.58 128.05 1j3r h GLU 38 Ca 0.34 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.59 1j3r h GLU 38 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1j3r h GLU 38 CO 1.34 0.10 -0.57 0.93 0.07 0.00 0.00 179.01 180.88 1j3r h GLU 39 N 0.00 0.75 -0.03 1.06 4.39 -1.95 -1.06 114.58 117.74 1j3r h GLU 39 Ca -0.00 -0.53 -0.09 0.00 0.34 0.00 0.00 59.36 59.08 1j3r h GLU 39 Cb 0.23 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1j3r h GLU 39 CO 0.01 1.15 -0.40 0.00 -1.16 0.00 0.00 179.01 178.62 1j3r h ALA 40 N 0.60 1.28 0.04 3.43 0.00 -1.79 -2.11 119.26 120.72 1j3r h ALA 40 Ca -0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1j3r h ALA 40 Cb 1.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1j3r h ALA 40 CO 0.12 0.52 -0.02 2.35 0.00 0.00 0.00 179.25 182.23 1j3r h TRP 41 N 0.05 -0.05 -0.45 0.00 7.01 -0.92 -2.32 115.95 119.27 1j3r h TRP 41 Ca 0.00 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.04 1j3r h TRP 41 Cb 0.73 0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.77 1j3r h TRP 41 CO 0.00 0.25 0.21 -0.22 -2.79 0.00 0.00 178.44 175.89 1j3r h LYS 42 N -0.35 0.42 -0.76 2.65 3.64 -1.00 -1.78 116.57 119.39 1j3r h LYS 42 Ca -0.01 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1j3r h LYS 42 Cb 0.32 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1j3r h LYS 42 CO 0.01 0.28 0.45 -0.22 -2.27 0.00 0.00 179.45 177.69 1j3r h LYS 43 N 0.43 1.04 0.00 1.90 3.64 -1.38 -2.36 116.57 119.84 1j3r h LYS 43 Ca 0.20 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 1j3r h LYS 43 Cb 0.12 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1j3r h LYS 43 CO -0.15 0.75 -0.49 0.52 -2.27 0.00 0.00 179.45 177.81 1j3r h MET 44 N 1.04 0.00 -0.10 1.90 2.86 -1.08 -1.39 114.93 118.17 1j3r h MET 44 Ca 0.27 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.88 1j3r h MET 44 Cb -0.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 1j3r h MET 44 CO -0.05 0.49 -0.06 0.28 1.06 0.00 0.00 176.91 178.63 1j3r h VAL 45 N 0.00 1.34 -0.03 -2.22 2.07 -0.94 -1.59 116.25 114.87 1j3r h VAL 45 Ca -0.00 -1.13 -0.07 0.00 0.82 0.00 0.00 66.70 66.32 1j3r h VAL 45 Cb 0.89 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 1j3r h VAL 45 CO 0.06 0.32 -0.30 -0.33 0.02 0.00 0.00 177.57 177.34 1j3r h GLU 46 N -0.17 0.05 0.00 1.57 5.08 -1.37 0.14 114.58 119.88 1j3r h GLU 46 Ca 0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1j3r h GLU 46 Cb 0.54 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1j3r h GLU 46 CO 0.02 0.36 0.00 0.39 -1.00 0.00 0.00 179.01 178.77 1j3r n GLU 47 N -4.16 0.15 0.00 2.33 1.02 -0.53 -4.76 120.64 114.69 1j3r n GLU 47 Ca -0.02 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 1j3r n GLU 47 Cb 0.36 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1j3r n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j3r n GLY 48 N 0.57 0.00 3.74 0.62 0.00 -1.00 -5.00 105.19 104.12 1j3r n GLY 48 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -5.19 -4.70 1.61 2.03 0.00 -4.88 116.55 105.42 1j3r n ASP 49 Ca 0.00 -0.97 -0.33 0.00 0.52 0.00 0.00 54.79 54.02 1j3r n ASP 49 Cb 0.00 -2.68 0.13 0.00 -0.72 0.00 0.00 41.12 37.85 1j3r n ASP 49 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1j3r s PRO 50 N -5.71 1.56 0.01 -0.67 0.04 -1.26 -4.50 135.00 124.46 1j3r s PRO 50 Ca 0.29 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 1j3r s PRO 50 Cb -0.13 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 1j3r s PRO 50 CO 0.89 -2.25 1.03 0.08 0.04 0.00 0.00 177.00 176.79 1j3r s VAL 51 N -2.33 4.67 -0.14 -0.36 1.01 -1.26 -1.47 120.40 120.53 1j3r s VAL 51 Ca 0.71 1.92 -0.16 0.00 0.00 0.00 0.00 61.98 64.45 1j3r s VAL 51 Cb -0.26 -4.23 -0.25 0.00 0.00 0.00 0.00 36.38 31.64 1j3r s VAL 51 CO 0.52 0.14 0.43 0.58 0.00 0.00 0.00 175.10 176.76 1j3r h VAL 52 N 4.76 0.93 -3.00 2.92 2.07 -1.09 -3.44 116.25 119.41 1j3r h VAL 52 Ca -0.40 -2.32 -0.01 0.00 0.82 0.00 0.00 66.70 64.79 1j3r h VAL 52 Cb 1.21 2.55 -0.11 0.00 -1.52 0.00 0.00 31.29 33.42 1j3r h VAL 52 CO 0.77 0.64 0.21 -0.72 0.02 0.00 0.00 177.57 178.49 1j3r s TYR 53 N -2.45 -0.49 0.00 1.57 -0.85 -1.05 -0.65 117.35 113.43 1j3r s TYR 53 Ca -0.23 0.25 0.04 0.00 -0.52 0.00 0.00 57.07 56.61 1j3r s TYR 53 Cb 0.05 0.58 -0.01 0.00 0.38 0.00 0.00 41.96 42.96 1j3r s TYR 53 CO 0.72 -0.90 -0.12 -1.21 -1.52 0.00 0.00 175.55 172.52 1j3r s GLU 54 N -3.77 0.89 -0.04 -3.49 2.02 -0.52 -1.23 118.70 112.55 1j3r s GLU 54 Ca 0.02 -0.50 0.06 0.00 0.02 0.00 0.00 54.97 54.58 1j3r s GLU 54 Cb -0.02 -0.87 -0.01 0.00 0.10 0.00 0.00 34.13 33.34 1j3r s GLU 54 CO -0.10 0.23 -0.23 0.08 0.02 0.00 0.00 175.26 175.26 1j3r s VAL 55 N -0.45 1.83 -0.33 2.63 1.01 -0.02 -0.76 120.40 124.32 1j3r s VAL 55 Ca 0.03 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1j3r s VAL 55 Cb -0.05 -1.55 0.09 0.00 0.00 0.00 0.00 36.38 34.87 1j3r s VAL 55 CO 0.00 0.52 0.03 -0.31 0.00 0.00 0.00 175.10 175.33 1j3r s TYR 56 N -0.22 3.64 0.10 5.22 2.02 -0.65 -0.51 117.35 126.95 1j3r s TYR 56 Ca -0.00 -2.79 0.08 0.00 -0.37 0.00 0.00 57.07 53.99 1j3r s TYR 56 Cb -0.12 -2.72 -0.04 0.00 -0.40 0.00 0.00 41.96 38.68 1j3r s TYR 56 CO 0.02 -0.93 -0.16 0.00 -1.57 0.00 0.00 175.55 172.91 1j3r s ALA 57 N 0.97 2.76 -0.24 3.71 0.00 0.10 -1.62 121.76 127.44 1j3r s ALA 57 Ca 0.06 -1.30 -0.02 0.00 0.00 0.00 0.00 51.96 50.71 1j3r s ALA 57 Cb -0.20 -0.74 0.07 0.00 0.00 0.00 0.00 23.12 22.26 1j3r s ALA 57 CO -0.07 0.61 0.04 0.42 0.00 0.00 0.00 175.76 176.76 1j3r s ILE 58 N -1.14 0.80 0.13 0.00 1.01 -0.71 0.11 121.20 121.40 1j3r s ILE 58 Ca 0.18 -0.94 0.11 0.00 0.00 0.00 0.00 60.65 60.01 1j3r s ILE 58 Cb -0.11 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 1j3r s ILE 58 CO 0.10 -0.34 -0.27 -1.61 0.00 0.00 0.00 174.94 172.83 1j3r s GLU 59 N 1.71 1.42 0.57 2.79 2.02 -1.26 -2.61 118.70 123.34 1j3r s GLU 59 Ca 0.02 -1.34 0.09 0.00 0.02 0.00 0.00 54.97 53.76 1j3r s GLU 59 Cb -0.17 -1.91 0.08 0.00 0.10 0.00 0.00 34.13 32.22 1j3r s GLU 59 CO -0.13 0.45 0.71 -0.65 0.02 0.00 0.00 175.26 175.66 1j3r s GLN 60 N -2.04 2.28 0.42 1.61 -1.52 -1.26 -5.07 119.66 114.08 1j3r s GLN 60 Ca 0.14 -1.75 -0.25 0.00 -1.95 0.00 0.00 55.36 51.55 1j3r s GLN 60 Cb -0.10 -2.51 -0.08 0.00 -0.22 0.00 0.00 33.01 30.10 1j3r s GLN 60 CO 0.06 -0.82 1.28 -1.21 -0.25 0.00 0.00 175.29 174.34 1j3r s GLU 61 N -4.58 3.87 -0.95 2.91 2.02 -1.26 -4.82 118.70 115.89 1j3r s GLU 61 Ca 0.55 2.08 -0.25 0.00 0.02 0.00 0.00 54.97 57.37 1j3r s GLU 61 Cb -0.05 -2.66 -0.12 0.00 0.10 0.00 0.00 34.13 31.40 1j3r s GLU 61 CO 0.35 -0.55 2.14 -1.21 0.02 0.00 0.00 175.26 176.01 1j3r s GLU 62 N -2.36 1.91 0.07 1.61 2.02 -1.25 -4.78 118.70 115.91 1j3r s GLU 62 Ca 0.59 -0.20 0.06 0.00 0.02 0.00 0.00 54.97 55.44 1j3r s GLU 62 Cb -0.36 -4.98 -0.03 0.00 0.10 0.00 0.00 34.13 28.86 1j3r s GLU 62 CO 0.46 -4.32 -0.16 0.21 0.02 0.00 0.00 175.26 171.47 1j3r s LYS 63 N 7.88 0.92 0.31 1.61 2.47 -1.26 -4.79 119.74 126.88 1j3r s LYS 63 Ca 0.80 -0.96 -0.30 0.00 -1.56 0.00 0.00 55.97 53.95 1j3r s LYS 63 Cb -0.07 -0.98 -0.11 0.00 -1.46 0.00 0.00 37.83 35.20 1j3r s LYS 63 CO 0.09 0.23 1.57 -2.00 0.16 0.00 0.00 175.35 175.39 1j3r s GLU 64 N -1.65 4.13 0.00 4.03 2.12 -1.26 -2.84 118.70 123.22 1j3r s GLU 64 Ca 0.01 2.56 0.00 0.00 0.36 0.00 0.00 54.97 57.90 1j3r s GLU 64 Cb -0.10 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.28 1j3r s GLU 64 CO 0.02 -0.60 0.00 0.41 -0.54 0.00 0.00 175.26 174.55 1j3r n GLY 65 N 1.84 2.43 3.96 -1.50 0.00 -1.26 -5.03 105.19 105.63 1j3r n GLY 65 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.64 4.95 0.01 1.61 3.68 -1.13 -4.98 116.67 117.17 1j3r s ASP 66 Ca 0.00 0.06 0.02 0.00 2.13 0.00 0.00 52.55 54.76 1j3r s ASP 66 Cb 0.00 -0.78 -0.01 0.00 -1.45 0.00 0.00 42.92 40.68 1j3r s ASP 66 CO 0.00 -1.42 -0.07 -0.76 0.13 0.00 0.00 175.17 173.05 1j3r s LEU 67 N -4.98 2.07 0.24 -1.34 1.43 -1.26 -1.28 118.68 113.56 1j3r s LEU 67 Ca 0.60 -0.22 0.10 0.00 -1.03 0.00 0.00 54.13 53.58 1j3r s LEU 67 Cb -0.09 -0.32 -0.04 0.00 0.03 0.00 0.00 46.19 45.76 1j3r s LEU 67 CO 0.41 0.02 -0.08 0.20 0.23 0.00 0.00 176.35 177.14 1j3r s ASN 68 N -0.49 4.22 -0.00 2.29 0.01 0.69 -4.53 114.94 117.13 1j3r s ASN 68 Ca 0.00 -0.71 -0.16 0.00 -0.71 0.00 0.00 52.86 51.29 1j3r s ASN 68 Cb -0.04 -0.68 0.03 0.00 0.41 0.00 0.00 41.25 40.97 1j3r s ASN 68 CO -0.00 0.05 0.33 0.72 -1.51 0.00 0.00 177.10 176.69 1j3r s PHE 69 N -2.14 -0.19 -0.06 2.20 -0.12 -1.07 -1.33 117.98 115.27 1j3r s PHE 69 Ca 0.29 0.24 -0.30 0.00 -0.05 0.00 0.00 56.93 57.11 1j3r s PHE 69 Cb -0.07 0.12 0.09 0.00 -0.63 0.00 0.00 43.02 42.52 1j3r s PHE 69 CO 0.17 -0.43 0.76 0.00 -0.05 0.00 0.00 175.22 175.67 1j3r s ALA 70 N -1.63 -1.80 0.16 1.99 0.00 -0.16 -1.74 121.76 118.59 1j3r s ALA 70 Ca -0.11 1.30 0.05 0.00 0.00 0.00 0.00 51.96 53.19 1j3r s ALA 70 Cb -0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1j3r s ALA 70 CO 0.03 -0.40 0.17 0.95 0.00 0.00 0.00 175.76 176.50 1j3r s THR 71 N -1.48 4.65 -0.01 0.00 -4.23 -0.64 0.10 115.64 114.02 1j3r s THR 71 Ca -0.07 -1.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.46 1j3r s THR 71 Cb -0.00 -3.38 -0.00 0.00 1.34 0.00 0.00 72.50 70.46 1j3r s THR 71 CO 0.05 -0.11 -0.10 -0.89 -0.54 0.00 0.00 174.62 173.04 1j3r s THR 72 N -1.75 0.79 -0.36 3.99 2.01 -0.41 -1.64 115.64 118.27 1j3r s THR 72 Ca 0.32 -0.40 -0.00 0.00 0.31 0.00 0.00 61.69 61.91 1j3r s THR 72 Cb -0.10 -0.68 0.09 0.00 0.01 0.00 0.00 72.50 71.82 1j3r s THR 72 CO 0.24 0.23 0.10 -0.69 -0.69 0.00 0.00 174.62 173.81 1j3r s VAL 73 N -0.07 2.83 -0.40 3.82 1.01 0.06 -2.35 120.40 125.31 1j3r s VAL 73 Ca 0.01 -2.01 -0.16 0.00 0.00 0.00 0.00 61.98 59.82 1j3r s VAL 73 Cb -0.06 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.42 1j3r s VAL 73 CO -0.00 -0.52 0.38 -0.22 0.00 0.00 0.00 175.10 174.74 1j3r s LEU 74 N 1.08 4.81 0.51 3.92 2.96 -0.34 -1.44 118.68 130.17 1j3r s LEU 74 Ca 0.06 -0.62 -0.20 0.00 -0.22 0.00 0.00 54.13 53.14 1j3r s LEU 74 Cb -0.21 -2.31 -0.07 0.00 0.50 0.00 0.00 46.19 44.11 1j3r s LEU 74 CO -0.05 -0.48 1.11 -0.31 -1.32 0.00 0.00 176.35 175.30 1j3r s TYR 75 N 1.97 2.82 0.45 5.38 2.02 0.18 -0.73 117.35 129.45 1j3r s TYR 75 Ca 0.10 1.56 -0.22 0.00 -0.37 0.00 0.00 57.07 58.14 1j3r s TYR 75 Cb -0.17 -3.24 -0.08 0.00 -0.40 0.00 0.00 41.96 38.06 1j3r s TYR 75 CO 0.12 -1.32 1.06 -1.25 -1.57 0.00 0.00 175.55 172.59 1j3r s PRO 76 N -3.14 3.91 0.00 -1.71 0.04 -1.26 -4.73 135.00 128.11 1j3r s PRO 76 Ca 0.69 1.46 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1j3r s PRO 76 Cb -0.23 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1j3r s PRO 76 CO 0.26 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.36 1j3r n GLY 77 N 0.04 0.39 3.30 0.56 0.00 -1.26 -4.97 105.19 103.25 1j3r n GLY 77 Ca 0.08 -1.51 -0.14 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.71 0.71 -0.40 1.61 1.02 -1.26 -1.36 119.74 118.35 1j3r s LYS 78 Ca 0.00 0.01 -0.06 0.00 0.02 0.00 0.00 55.97 55.94 1j3r s LYS 78 Cb 0.00 0.32 0.08 0.00 -0.52 0.00 0.00 37.83 37.72 1j3r s LYS 78 CO 0.00 -0.19 0.21 0.08 -0.92 0.00 0.00 175.35 174.52 1j3r s VAL 79 N -1.06 3.79 0.00 3.17 1.01 0.18 -4.86 120.40 122.64 1j3r s VAL 79 Ca -0.11 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 60.30 1j3r s VAL 79 Cb -0.04 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1j3r s VAL 79 CO 0.05 -0.49 0.00 0.61 0.00 0.00 0.00 175.10 175.26 1j3r n GLY 80 N 4.79 1.81 0.12 4.51 0.00 -1.26 -1.82 105.19 113.33 1j3r n GLY 80 Ca -0.08 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.77 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 10.06 1.60 -4.57 1.61 0.23 -1.26 -5.01 115.26 117.91 1j3r n ASN 81 Ca 0.00 -2.37 -0.40 0.00 -0.53 0.00 0.00 54.58 51.28 1j3r n ASN 81 Cb 0.00 -0.22 -0.09 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 -1.55 3.80 0.52 -3.83 2.12 -0.75 -1.35 118.70 117.65 1j3r s GLU 82 Ca 0.14 -0.22 -0.22 0.00 0.36 0.00 0.00 54.97 55.03 1j3r s GLU 82 Cb 0.12 -3.73 -0.07 0.00 0.26 0.00 0.00 34.13 30.72 1j3r s GLU 82 CO 0.01 -0.38 1.17 1.19 -0.54 0.00 0.00 175.26 176.72 1j3r n PHE 83 N 5.33 1.67 -1.69 5.30 3.72 -1.04 -0.65 117.46 130.10 1j3r n PHE 83 Ca -0.09 0.47 -0.40 0.00 -0.05 0.00 0.00 57.45 57.37 1j3r n PHE 83 Cb 0.50 -2.28 0.02 0.00 -0.94 0.00 0.00 39.48 36.78 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 -0.97 1.95 -3.81 1.38 3.01 -0.46 -4.81 117.46 113.73 1j3r n PHE 84 Ca 0.10 0.49 -0.09 0.00 1.01 0.00 0.00 57.45 58.96 1j3r n PHE 84 Cb 0.43 -2.34 -0.04 0.00 -0.01 0.00 0.00 39.48 37.53 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 -2.35 1.46 0.61 -1.08 0.23 -1.26 -1.99 119.30 114.92 1j3r s MET 85 Ca 0.64 -0.97 -0.07 0.00 -1.03 0.00 0.00 55.69 54.26 1j3r s MET 85 Cb -0.49 0.52 0.00 0.00 -1.53 0.00 0.00 34.83 33.33 1j3r s MET 85 CO 0.55 -0.62 0.94 0.95 -2.03 0.00 0.00 175.02 174.81 1j3r s THR 86 N -3.91 3.77 0.23 3.16 -4.23 -0.73 -4.92 115.64 109.00 1j3r s THR 86 Ca 0.12 0.17 -0.08 0.00 -1.18 0.00 0.00 61.69 60.73 1j3r s THR 86 Cb -0.01 -3.51 0.19 0.00 1.34 0.00 0.00 72.50 70.50 1j3r s THR 86 CO 0.01 -0.57 1.87 0.11 -0.54 0.00 0.00 174.62 175.50 1j3r h LYS 87 N -0.26 0.98 0.00 3.99 1.57 -1.94 -3.43 116.57 117.48 1j3r h LYS 87 Ca -0.45 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1j3r h LYS 87 Cb 1.25 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1j3r h LYS 87 CO 0.62 0.65 0.00 0.41 -0.57 0.00 0.00 179.45 180.55 1j3r n GLY 88 N -1.32 -0.77 3.71 3.86 0.00 -1.26 -4.90 105.19 104.51 1j3r n GLY 88 Ca 0.10 -1.41 -0.05 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.32 -0.20 0.32 1.61 -3.43 -1.00 -4.75 115.29 105.53 1j3r s HIS 89 Ca 0.00 -0.10 0.07 0.00 -0.80 0.00 0.00 55.06 54.23 1j3r s HIS 89 Cb 0.00 0.63 -0.02 0.00 -1.43 0.00 0.00 32.58 31.76 1j3r s HIS 89 CO 0.00 -0.85 0.34 0.71 -2.00 0.00 0.00 174.74 172.94 1j3r s TYR 90 N -3.39 3.01 0.47 0.38 2.02 -0.87 -1.97 117.35 117.00 1j3r s TYR 90 Ca 0.10 -0.25 -0.11 0.00 -0.37 0.00 0.00 57.07 56.44 1j3r s TYR 90 Cb -0.02 -1.82 -0.06 0.00 -0.40 0.00 0.00 41.96 39.66 1j3r s TYR 90 CO 0.00 0.16 0.86 -1.01 -1.57 0.00 0.00 175.55 174.00 1j3r s HIS 91 N -2.24 3.50 0.05 2.71 3.76 -1.26 -0.64 115.29 121.17 1j3r s HIS 91 Ca 0.41 1.14 -0.27 0.00 -0.15 0.00 0.00 55.06 56.20 1j3r s HIS 91 Cb -0.07 -2.54 -0.17 0.00 1.11 0.00 0.00 32.58 30.90 1j3r s HIS 91 CO 0.28 -0.28 1.48 1.03 -0.85 0.00 0.00 174.74 176.40 1j3r h SER 92 N 0.79 -0.36 -2.25 1.40 0.87 0.60 -3.03 113.55 111.56 1j3r h SER 92 Ca -0.47 -0.09 -0.68 0.00 -1.23 0.00 0.00 61.79 59.33 1j3r h SER 92 Cb 1.19 0.09 -0.17 0.00 -0.44 0.00 0.00 62.40 63.08 1j3r h SER 92 CO 0.63 -0.12 0.91 -0.54 -0.53 0.00 0.00 176.83 177.17 1j3r s LYS 93 N -5.44 3.58 0.63 2.24 1.02 -0.14 -4.89 119.74 116.74 1j3r s LYS 93 Ca -0.15 -1.64 0.25 0.00 0.02 0.00 0.00 55.97 54.45 1j3r s LYS 93 Cb 0.03 -4.95 1.27 0.00 -0.52 0.00 0.00 37.83 33.67 1j3r s LYS 93 CO 0.60 -1.83 1.71 0.97 -0.92 0.00 0.00 175.35 175.89 1j3r h ILE 94 N 5.96 0.13 -0.27 2.17 2.10 -1.81 -1.98 117.51 123.82 1j3r h ILE 94 Ca 0.14 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.08 1j3r h ILE 94 Cb 1.02 0.48 0.00 0.00 -1.09 0.00 0.00 36.82 37.23 1j3r h ILE 94 CO 1.15 0.00 0.00 -0.90 -1.08 0.00 0.00 178.15 177.32 1j3r n ASP 95 N -3.18 2.24 -4.76 2.19 5.75 -1.26 -0.33 116.55 117.20 1j3r n ASP 95 Ca 0.05 -2.18 -0.39 0.00 -0.01 0.00 0.00 54.79 52.26 1j3r n ASP 95 Cb 0.71 -0.38 -0.05 0.00 -1.03 0.00 0.00 41.12 40.36 1j3r n ASP 95 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1j3r s ARG 96 N -1.65 4.44 0.74 0.11 3.00 -0.75 -4.51 118.95 120.33 1j3r s ARG 96 Ca 0.21 0.98 0.00 0.00 0.00 0.00 0.00 55.73 56.93 1j3r s ARG 96 Cb 0.14 -3.32 0.14 0.00 0.00 0.00 0.00 34.95 31.91 1j3r s ARG 96 CO 0.10 0.41 1.01 0.00 0.00 0.00 0.00 175.30 176.82 1j3r s ALA 97 N -0.45 3.82 0.02 2.13 0.00 -1.26 -4.37 121.76 121.65 1j3r s ALA 97 Ca 0.35 -1.90 -0.22 0.00 0.00 0.00 0.00 51.96 50.18 1j3r s ALA 97 Cb -0.20 -1.89 0.05 0.00 0.00 0.00 0.00 23.12 21.07 1j3r s ALA 97 CO 0.22 -1.54 0.51 -2.00 0.00 0.00 0.00 175.76 172.95 1j3r s GLU 98 N -5.16 0.98 -0.06 0.00 2.12 -0.33 -4.35 118.70 111.90 1j3r s GLU 98 Ca 0.68 -0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.87 1j3r s GLU 98 Cb -0.04 0.45 0.02 0.00 0.26 0.00 0.00 34.13 34.81 1j3r s GLU 98 CO 0.45 -0.34 -0.10 0.08 -0.54 0.00 0.00 175.26 174.81 1j3r s VAL 99 N -2.09 1.01 0.03 3.70 1.01 -0.60 -0.27 120.40 123.20 1j3r s VAL 99 Ca -0.07 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1j3r s VAL 99 Cb -0.01 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1j3r s VAL 99 CO 0.01 0.33 -0.03 -0.31 0.00 0.00 0.00 175.10 175.10 1j3r s TYR 100 N 0.79 2.97 -0.23 5.22 4.12 -0.05 -0.64 117.35 129.53 1j3r s TYR 100 Ca -0.12 -0.00 -0.03 0.00 0.02 0.00 0.00 57.07 56.93 1j3r s TYR 100 Cb -0.15 -1.60 0.07 0.00 -1.52 0.00 0.00 41.96 38.77 1j3r s TYR 100 CO 0.02 0.44 0.08 0.12 0.02 0.00 0.00 175.55 176.22 1j3r s PHE 101 N -1.13 0.84 0.20 2.71 5.36 0.96 -0.40 117.98 126.53 1j3r s PHE 101 Ca 0.21 -0.91 -0.30 0.00 -0.96 0.00 0.00 56.93 54.97 1j3r s PHE 101 Cb -0.11 -1.05 -0.08 0.00 -0.34 0.00 0.00 43.02 41.43 1j3r s PHE 101 CO 0.12 -0.68 1.21 0.00 -1.46 0.00 0.00 175.22 174.41 1j3r s ALA 102 N 1.92 3.45 -0.01 11.12 0.00 -0.10 -0.26 121.76 137.89 1j3r s ALA 102 Ca 0.03 0.98 0.01 0.00 0.00 0.00 0.00 51.96 52.99 1j3r s ALA 102 Cb -0.17 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 1j3r s ALA 102 CO -0.17 -0.39 0.02 1.28 0.00 0.00 0.00 175.76 176.50 1j3r n LEU 103 N 2.31 0.00 -3.60 0.00 4.77 0.77 -1.47 117.00 119.78 1j3r n LEU 103 Ca 0.04 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.86 1j3r n LEU 103 Cb 0.44 0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 1j3r n LEU 103 CO 0.56 0.02 0.34 -0.75 -1.33 0.00 0.00 177.39 176.23 1j3r s LYS 104 N -2.07 0.89 1.07 3.23 2.20 -0.72 -4.76 119.74 119.59 1j3r s LYS 104 Ca -0.01 0.41 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 1j3r s LYS 104 Cb 0.01 0.42 0.00 0.00 -1.51 0.00 0.00 37.83 36.75 1j3r s LYS 104 CO 0.07 -0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 1j3r n GLY 105 N 1.61 -1.91 2.96 5.54 0.00 -1.25 0.02 105.19 112.17 1j3r n GLY 105 Ca -0.18 -1.50 -0.14 0.00 0.00 0.00 0.00 46.02 44.20 1j3r n GLY 105 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j3r s LYS 106 N 0.00 0.35 0.00 1.61 2.20 -1.26 -3.79 119.74 118.85 1j3r s LYS 106 Ca 0.00 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 1j3r s LYS 106 Cb 0.00 -0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.05 1j3r s LYS 106 CO 0.00 0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.47 1j3r n GLY 107 N 2.64 1.96 3.70 5.54 0.00 -0.55 -2.85 105.19 115.62 1j3r n GLY 107 Ca -0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.02 -0.30 -0.06 -0.02 0.00 -0.60 -0.47 107.32 105.85 1j3r s GLY 108 Ca 0.00 0.36 0.05 0.00 0.00 0.00 0.00 44.72 45.13 1j3r s GLY 108 CO 0.00 0.06 -0.23 -0.29 0.00 0.00 0.00 173.10 172.64 1j3r s MET 109 N -3.01 2.48 -0.19 2.90 1.75 0.17 -0.60 119.30 122.81 1j3r s MET 109 Ca 0.12 -0.85 -0.06 0.00 -1.25 0.00 0.00 55.69 53.65 1j3r s MET 109 Cb 0.01 -2.07 -0.04 0.00 2.84 0.00 0.00 34.83 35.57 1j3r s MET 109 CO -0.00 0.33 0.04 -1.17 -0.65 0.00 0.00 175.02 173.57 1j3r s LEU 110 N -0.06 3.60 0.12 4.11 2.96 0.12 -1.37 118.68 128.16 1j3r s LEU 110 Ca -0.06 -0.03 0.07 0.00 -0.22 0.00 0.00 54.13 53.89 1j3r s LEU 110 Cb -0.14 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 1j3r s LEU 110 CO 0.04 0.13 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.28 1j3r s LEU 111 N 0.61 2.37 0.04 -0.68 1.02 0.19 -0.52 118.68 121.70 1j3r s LEU 111 Ca 0.02 -0.77 -0.21 0.00 0.02 0.00 0.00 54.13 53.20 1j3r s LEU 111 Cb -0.13 -0.65 0.04 0.00 0.02 0.00 0.00 46.19 45.47 1j3r s LEU 111 CO 0.02 -0.08 0.47 0.00 0.02 0.00 0.00 176.35 176.78 1j3r s GLN 112 N -2.41 0.96 0.58 1.70 -2.07 -0.86 -0.50 119.66 117.07 1j3r s GLN 112 Ca 0.08 -0.25 -0.04 0.00 -1.82 0.00 0.00 55.36 53.32 1j3r s GLN 112 Cb -0.07 0.44 0.01 0.00 -1.09 0.00 0.00 33.01 32.30 1j3r s GLN 112 CO 0.04 -0.33 0.87 0.95 -1.32 0.00 0.00 175.29 175.49 1j3r s THR 113 N -2.30 3.49 0.55 3.63 -4.23 -0.02 -0.73 115.64 116.03 1j3r s THR 113 Ca -0.06 -0.16 0.28 0.00 -1.18 0.00 0.00 61.69 60.57 1j3r s THR 113 Cb -0.01 -3.38 0.41 0.00 1.34 0.00 0.00 72.50 70.86 1j3r s THR 113 CO -0.01 -0.36 1.96 -0.65 -0.54 0.00 0.00 174.62 175.02 1j3r h PRO 114 N -0.11 0.00 -0.00 3.99 0.11 -1.92 0.38 132.00 134.45 1j3r h PRO 114 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1j3r h PRO 114 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1j3r h PRO 114 CO 0.59 0.00 -0.09 0.39 -0.21 0.00 0.00 178.00 178.69 1j3r n GLU 115 N -4.14 0.20 0.00 1.05 4.71 -1.26 -4.93 120.64 116.27 1j3r n GLU 115 Ca 0.10 -0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.22 1j3r n GLU 115 Cb 0.66 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.59 1j3r n GLU 115 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1j3r n GLY 116 N 1.42 0.58 3.69 0.62 0.00 0.13 -5.06 105.19 106.57 1j3r n GLY 116 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.91 4.28 0.24 1.61 2.12 -1.26 -4.70 118.70 120.08 1j3r s GLU 117 Ca 0.00 1.98 0.08 0.00 0.36 0.00 0.00 54.97 57.39 1j3r s GLU 117 Cb 0.00 -3.58 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 1j3r s GLU 117 CO 0.00 -0.58 0.05 0.00 -0.54 0.00 0.00 175.26 174.19 1j3r s ALA 118 N 2.43 3.29 -0.02 6.30 0.00 -1.26 -0.84 121.76 131.66 1j3r s ALA 118 Ca 0.64 -1.53 -0.05 0.00 0.00 0.00 0.00 51.96 51.03 1j3r s ALA 118 Cb -0.32 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 21.84 1j3r s ALA 118 CO 0.27 0.31 0.10 1.03 0.00 0.00 0.00 175.76 177.46 1j3r s ARG 119 N -3.57 0.27 -0.12 0.00 1.81 0.35 -4.97 118.95 112.72 1j3r s ARG 119 Ca 0.31 -0.13 -0.00 0.00 -1.72 0.00 0.00 55.73 54.19 1j3r s ARG 119 Cb -0.07 0.12 0.02 0.00 -0.45 0.00 0.00 34.95 34.57 1j3r s ARG 119 CO 0.21 -0.05 -0.09 0.12 -0.68 0.00 0.00 175.30 174.81 1j3r s PHE 120 N -0.62 1.63 -0.19 -0.53 5.36 -1.26 -0.64 117.98 121.72 1j3r s PHE 120 Ca -0.07 -0.84 -0.01 0.00 -0.96 0.00 0.00 56.93 55.05 1j3r s PHE 120 Cb -0.04 -1.31 0.00 0.00 -0.34 0.00 0.00 43.02 41.33 1j3r s PHE 120 CO 0.00 -0.54 -0.12 0.42 -1.46 0.00 0.00 175.22 173.52 1j3r s ILE 121 N 1.64 2.77 0.52 3.12 1.09 -0.47 -4.95 121.20 124.92 1j3r s ILE 121 Ca 0.05 -0.70 -0.21 0.00 -1.10 0.00 0.00 60.65 58.68 1j3r s ILE 121 Cb -0.13 -2.22 -0.06 0.00 -1.06 0.00 0.00 42.46 39.00 1j3r s ILE 121 CO -0.09 0.48 1.20 -1.61 -0.10 0.00 0.00 174.94 174.82 1j3r s GLU 122 N 1.27 3.40 -0.02 2.79 2.02 -1.26 -0.65 118.70 126.25 1j3r s GLU 122 Ca 0.03 1.82 0.02 0.00 0.02 0.00 0.00 54.97 56.86 1j3r s GLU 122 Cb -0.14 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 31.91 1j3r s GLU 122 CO -0.06 -0.86 -0.06 -1.64 0.02 0.00 0.00 175.26 172.66 1j3r s MET 123 N -3.00 0.61 0.26 1.61 -1.94 0.38 -4.87 119.30 112.35 1j3r s MET 123 Ca 0.70 -0.19 0.00 0.00 -1.71 0.00 0.00 55.69 54.50 1j3r s MET 123 Cb -0.30 -0.61 -0.03 0.00 2.01 0.00 0.00 34.83 35.90 1j3r s MET 123 CO 0.34 0.07 0.23 -1.83 -0.01 0.00 0.00 175.02 173.83 1j3r s GLU 124 N 0.20 1.46 0.08 2.03 -1.05 -1.26 -1.48 118.70 118.68 1j3r s GLU 124 Ca -0.02 -1.73 -0.35 0.00 -0.15 0.00 0.00 54.97 52.72 1j3r s GLU 124 Cb -0.07 0.32 -0.14 0.00 -0.44 0.00 0.00 34.13 33.80 1j3r s GLU 124 CO -0.00 -0.53 1.58 -2.30 0.95 0.00 0.00 175.26 174.96 1j3r n PRO 125 N -0.41 1.84 0.00 -4.83 -0.02 -1.25 -1.16 135.00 129.17 1j3r n PRO 125 Ca 0.03 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1j3r n PRO 125 Cb 0.64 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 3.39 2.30 3.72 -1.23 0.00 -0.54 -4.98 105.19 107.85 1j3r n GLY 126 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.60 3.71 -0.15 2.61 2.01 -0.31 -4.85 115.64 116.07 1j3r s THR 127 Ca 0.00 1.30 -0.01 0.00 0.31 0.00 0.00 61.69 63.29 1j3r s THR 127 Cb 0.00 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 1j3r s THR 127 CO 0.00 0.14 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.34 1j3r s ILE 128 N 0.66 3.24 -0.12 1.82 1.01 -1.26 -0.92 121.20 125.62 1j3r s ILE 128 Ca 0.58 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.66 1j3r s ILE 128 Cb -0.32 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 1j3r s ILE 128 CO 0.32 0.51 -0.17 -0.69 0.00 0.00 0.00 174.94 174.90 1j3r s VAL 129 N 0.52 2.64 -0.32 2.92 1.01 0.47 -4.96 120.40 122.68 1j3r s VAL 129 Ca -0.07 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 1j3r s VAL 129 Cb -0.15 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 1j3r s VAL 129 CO 0.04 0.54 0.34 -0.47 0.00 0.00 0.00 175.10 175.54 1j3r s TYR 130 N 0.37 3.22 -0.48 5.22 5.04 -1.26 -0.87 117.35 128.58 1j3r s TYR 130 Ca -0.14 0.04 -0.17 0.00 -2.44 0.00 0.00 57.07 54.37 1j3r s TYR 130 Cb -0.17 -2.62 0.07 0.00 0.35 0.00 0.00 41.96 39.60 1j3r s TYR 130 CO 0.07 -0.37 0.46 0.08 -1.34 0.00 0.00 175.55 174.45 1j3r s VAL 131 N 1.98 5.13 0.89 3.14 1.01 0.63 -5.00 120.40 128.19 1j3r s VAL 131 Ca 0.11 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 1j3r s VAL 131 Cb -0.16 -4.17 0.13 0.00 0.00 0.00 0.00 36.38 32.17 1j3r s VAL 131 CO 0.11 -0.64 1.09 -2.84 0.00 0.00 0.00 175.10 172.82 1j3r s PRO 132 N 1.93 1.30 0.70 2.72 0.02 -1.26 -1.19 135.00 139.21 1j3r s PRO 132 Ca 0.07 1.00 -0.16 0.00 0.02 0.00 0.00 61.00 61.93 1j3r s PRO 132 Cb -0.23 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.50 1j3r s PRO 132 CO 0.08 -2.26 1.06 -2.30 -0.33 0.00 0.00 177.00 173.25 1j3r n PRO 133 N -3.92 0.65 0.00 5.54 -0.02 -1.26 -2.80 135.00 133.19 1j3r n PRO 133 Ca 0.08 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1j3r n PRO 133 Cb 0.54 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 -2.37 0.00 -3.56 6.00 4.01 0.55 -4.96 117.16 116.83 1j3r n TYR 134 Ca 0.14 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.51 1j3r n TYR 134 Cb 0.49 -0.19 -0.06 0.00 -0.31 0.00 0.00 39.34 39.27 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 -2.53 3.57 0.47 -0.72 0.52 -1.12 -4.22 118.94 114.91 1j3r s TRP 135 Ca 0.00 0.73 -0.13 0.00 0.02 0.00 0.00 56.10 56.73 1j3r s TRP 135 Cb 0.00 -2.28 -0.07 0.00 -1.15 0.00 0.00 33.47 29.98 1j3r s TRP 135 CO 0.00 0.44 0.87 0.00 0.02 0.00 0.00 176.95 178.29 1j3r s ALA 136 N -0.26 3.22 -0.06 0.98 0.00 0.09 -4.74 121.76 121.00 1j3r s ALA 136 Ca 0.19 -0.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.99 1j3r s ALA 136 Cb -0.14 -2.89 0.02 0.00 0.00 0.00 0.00 23.12 20.11 1j3r s ALA 136 CO 0.07 -0.16 0.25 -3.38 0.00 0.00 0.00 175.76 172.54 1j3r s HIS 137 N -2.54 -0.19 -0.01 0.00 -3.43 -0.83 -2.02 115.29 106.27 1j3r s HIS 137 Ca 0.54 0.42 0.01 0.00 -0.80 0.00 0.00 55.06 55.23 1j3r s HIS 137 Cb -0.10 0.07 0.00 0.00 -1.43 0.00 0.00 32.58 31.12 1j3r s HIS 137 CO 0.33 -0.23 -0.02 0.50 -2.00 0.00 0.00 174.74 173.32 1j3r s ARG 138 N -0.54 0.22 -0.06 -0.38 3.52 0.32 -2.37 118.95 119.66 1j3r s ARG 138 Ca -0.06 -0.07 -0.04 0.00 -0.13 0.00 0.00 55.73 55.43 1j3r s ARG 138 Cb -0.04 -0.24 -0.04 0.00 -1.56 0.00 0.00 34.95 33.08 1j3r s ARG 138 CO 0.02 0.03 0.13 0.99 -0.81 0.00 0.00 175.30 175.66 1j3r s THR 139 N 0.08 5.22 0.01 4.11 2.01 -1.26 0.12 115.64 125.93 1j3r s THR 139 Ca -0.00 -0.07 0.05 0.00 0.31 0.00 0.00 61.69 61.98 1j3r s THR 139 Cb -0.03 -3.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.13 1j3r s THR 139 CO -0.00 0.47 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.62 1j3r s ILE 140 N -1.14 1.20 -0.35 1.82 1.09 0.24 -1.77 121.20 122.29 1j3r s ILE 140 Ca 0.20 -0.80 -0.11 0.00 -1.10 0.00 0.00 60.65 58.84 1j3r s ILE 140 Cb -0.12 -1.03 0.00 0.00 -1.06 0.00 0.00 42.46 40.25 1j3r s ILE 140 CO 0.10 0.22 0.21 0.21 -0.10 0.00 0.00 174.94 175.58 1j3r s ASN 141 N -0.67 5.78 -0.05 3.58 3.84 -0.84 -1.56 114.94 125.03 1j3r s ASN 141 Ca 0.05 -0.70 0.18 0.00 0.21 0.00 0.00 52.86 52.60 1j3r s ASN 141 Cb -0.07 -2.06 0.56 0.00 -0.55 0.00 0.00 41.25 39.14 1j3r s ASN 141 CO 0.00 -0.29 1.48 0.35 -2.79 0.00 0.00 177.10 175.85 1j3r n THR 142 N 5.03 1.34 -3.56 -5.21 -2.24 -1.13 -4.21 114.28 104.31 1j3r n THR 142 Ca -0.13 -1.13 0.00 0.00 -2.27 0.00 0.00 64.05 60.53 1j3r n THR 142 Cb 0.48 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 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 1.01 3.38 0.47 3.38 0.00 -1.21 -4.95 105.19 107.27 1j3r n GLY 143 Ca 0.21 -2.17 0.08 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.73 1.88 -4.52 1.61 5.75 -1.26 -4.43 116.55 113.85 1j3r n ASP 144 Ca 0.00 -1.44 -0.25 0.00 -0.01 0.00 0.00 54.79 53.09 1j3r n ASP 144 Cb 0.00 0.32 -0.10 0.00 -1.03 0.00 0.00 41.12 40.30 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 -1.74 1.77 0.35 0.11 -0.14 -1.26 -4.80 119.74 114.04 1j3r s LYS 145 Ca 0.15 -1.89 -0.28 0.00 -1.36 0.00 0.00 55.97 52.59 1j3r s LYS 145 Cb 0.13 -1.68 -0.12 0.00 -1.68 0.00 0.00 37.83 34.48 1j3r s LYS 145 CO 0.34 0.17 1.36 -2.30 -0.76 0.00 0.00 175.35 174.17 1j3r n PRO 146 N -0.75 2.32 -3.62 -1.68 -0.02 -1.26 -4.33 135.00 125.66 1j3r n PRO 146 Ca -0.05 0.81 -0.40 0.00 -2.02 0.00 0.00 63.50 61.85 1j3r n PRO 146 Cb 0.63 -2.45 -0.11 0.00 -0.02 0.00 0.00 33.50 31.55 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 -1.08 3.21 -0.09 6.00 5.36 0.09 -3.77 117.98 127.69 1j3r s PHE 147 Ca 0.55 -0.68 0.01 0.00 -0.96 0.00 0.00 56.93 55.85 1j3r s PHE 147 Cb -0.54 -2.40 -0.02 0.00 -0.34 0.00 0.00 43.02 39.72 1j3r s PHE 147 CO 0.63 -0.52 -0.11 0.42 -1.46 0.00 0.00 175.22 174.17 1j3r s ILE 148 N 1.60 3.28 0.10 3.12 1.01 0.10 -1.20 121.20 129.21 1j3r s ILE 148 Ca 0.04 -0.61 -0.14 0.00 0.00 0.00 0.00 60.65 59.94 1j3r s ILE 148 Cb -0.18 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 39.97 1j3r s ILE 148 CO 0.07 0.56 0.33 0.72 0.00 0.00 0.00 174.94 176.62 1j3r s PHE 149 N -0.24 -0.10 -0.09 3.97 -0.12 -0.99 -0.16 117.98 120.26 1j3r s PHE 149 Ca 0.02 -0.21 -0.01 0.00 -0.05 0.00 0.00 56.93 56.68 1j3r s PHE 149 Cb -0.13 0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.38 1j3r s PHE 149 CO 0.03 -0.62 -0.05 -1.17 -0.05 0.00 0.00 175.22 173.36 1j3r s LEU 150 N -2.67 3.29 -0.01 -1.99 2.96 0.65 -1.29 118.68 119.61 1j3r s LEU 150 Ca 0.02 0.01 0.06 0.00 -0.22 0.00 0.00 54.13 53.99 1j3r s LEU 150 Cb 0.02 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 1j3r s LEU 150 CO -0.10 0.34 -0.18 0.00 -1.32 0.00 0.00 176.35 175.08 1j3r s ALA 151 N -0.65 1.52 -0.08 5.97 0.00 0.12 -0.03 121.76 128.61 1j3r s ALA 151 Ca 0.10 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1j3r s ALA 151 Cb -0.12 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.64 1j3r s ALA 151 CO 0.02 0.37 -0.15 -0.51 0.00 0.00 0.00 175.76 175.49 1j3r s LEU 152 N -0.48 1.73 0.04 0.00 1.02 0.18 -0.99 118.68 120.19 1j3r s LEU 152 Ca 0.07 -0.38 -0.11 0.00 0.02 0.00 0.00 54.13 53.74 1j3r s LEU 152 Cb -0.07 -0.99 0.01 0.00 0.02 0.00 0.00 46.19 45.15 1j3r s LEU 152 CO -0.01 0.05 0.22 -0.72 0.02 0.00 0.00 176.35 175.92 1j3r s TYR 153 N 0.70 0.01 0.34 0.29 -0.85 -0.44 -1.55 117.35 115.85 1j3r s TYR 153 Ca -0.13 -0.21 -0.28 0.00 -0.52 0.00 0.00 57.07 55.92 1j3r s TYR 153 Cb -0.16 0.00 -0.12 0.00 0.38 0.00 0.00 41.96 42.06 1j3r s TYR 153 CO 0.03 -0.45 1.37 -2.30 -1.52 0.00 0.00 175.55 172.69 1j3r n PRO 154 N 0.66 2.32 0.15 -3.49 -0.02 -1.26 -0.22 135.00 133.13 1j3r n PRO 154 Ca -0.19 0.81 0.12 0.00 -2.02 0.00 0.00 63.50 62.22 1j3r n PRO 154 Cb 0.59 -2.46 0.55 0.00 -0.02 0.00 0.00 33.50 32.17 1j3r n PRO 154 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j3r n ALA 155 N 0.56 1.32 -0.34 3.55 0.00 -0.40 -1.92 120.51 123.28 1j3r n ALA 155 Ca 0.04 0.15 0.06 0.00 0.00 0.00 0.00 53.44 53.70 1j3r n ALA 155 Cb 0.37 -1.35 0.18 0.00 0.00 0.00 0.00 19.45 18.64 1j3r n ALA 155 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1j3r n ASP 156 N -2.26 3.16 -0.18 0.00 5.75 -1.26 -3.96 116.55 117.80 1j3r n ASP 156 Ca 0.00 -2.19 -0.08 0.00 -0.01 0.00 0.00 54.79 52.50 1j3r n ASP 156 Cb 0.12 -0.30 0.05 0.00 -1.03 0.00 0.00 41.12 39.97 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 2.07 0.87 -1.77 2.12 0.00 -1.72 -3.40 119.26 117.43 1j3r h ALA 157 Ca 0.00 -0.32 0.16 0.00 0.00 0.00 0.00 54.91 54.75 1j3r h ALA 157 Cb 0.88 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1j3r h ALA 157 CO 0.05 0.65 -0.21 0.41 0.00 0.00 0.00 179.25 180.15 1j3r n GLY 158 N -0.40 -1.79 2.96 0.00 0.00 -1.26 0.88 105.19 105.58 1j3r n GLY 158 Ca 0.02 -1.24 -0.18 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.13 0.70 -0.43 1.61 3.76 -1.26 -3.00 115.29 115.53 1j3r s HIS 159 Ca 0.00 -0.16 0.03 0.00 -0.15 0.00 0.00 55.06 54.78 1j3r s HIS 159 Cb 0.00 -0.52 0.12 0.00 1.11 0.00 0.00 32.58 33.29 1j3r s HIS 159 CO 0.00 -0.08 0.19 0.34 -0.85 0.00 0.00 174.74 174.34 1j3r s ASP 160 N 0.26 4.12 0.08 1.40 2.15 0.19 -4.49 116.67 120.38 1j3r s ASP 160 Ca -0.03 -2.55 0.18 0.00 0.43 0.00 0.00 52.55 50.58 1j3r s ASP 160 Cb -0.08 -1.33 -0.12 0.00 -0.30 0.00 0.00 42.92 41.10 1j3r s ASP 160 CO 0.00 -0.29 0.83 -1.22 -0.17 0.00 0.00 175.17 174.32 1j3r n TYR 161 N 3.68 0.92 -0.17 -5.34 4.01 -1.26 -2.06 117.16 116.94 1j3r n TYR 161 Ca 0.05 0.30 -0.12 0.00 -0.16 0.00 0.00 57.90 57.98 1j3r n TYR 161 Cb 0.36 -1.04 -0.09 0.00 -0.31 0.00 0.00 39.34 38.26 1j3r n TYR 161 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1j3r h GLY 162 N 3.79 -1.13 0.09 2.72 0.00 -1.93 -0.72 103.07 105.89 1j3r h GLY 162 Ca -0.14 0.76 0.13 0.00 0.00 0.00 0.00 47.33 48.09 1j3r h GLY 162 CO 0.03 -0.18 0.18 -0.84 0.00 0.00 0.00 176.54 175.74 1j3r h THR 163 N -0.27 0.60 -0.32 4.70 2.02 -1.99 -1.57 112.91 116.08 1j3r h THR 163 Ca 0.08 -0.10 -0.17 0.00 0.77 0.00 0.00 66.41 66.98 1j3r h THR 163 Cb 0.48 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1j3r h THR 163 CO -0.58 0.06 -0.48 0.40 0.37 0.00 0.00 175.52 175.29 1j3r h ILE 164 N 0.30 1.27 0.00 3.11 2.04 -1.75 -0.07 117.51 122.41 1j3r h ILE 164 Ca 0.37 -1.66 -0.02 0.00 1.00 0.00 0.00 64.86 64.55 1j3r h ILE 164 Cb 0.58 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1j3r h ILE 164 CO -0.44 0.55 -0.10 0.00 0.00 0.00 0.00 178.15 178.15 1j3r h ALA 165 N 0.71 1.72 0.01 1.87 0.00 -0.68 0.57 119.26 123.47 1j3r h ALA 165 Ca 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1j3r h ALA 165 Cb 1.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1j3r h ALA 165 CO 0.11 0.13 -0.01 1.49 0.00 0.00 0.00 179.25 180.98 1j3r h GLU 166 N 0.00 -0.02 -0.01 0.00 4.57 -1.10 -3.42 114.58 114.61 1j3r h GLU 166 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1j3r h GLU 166 Cb 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1j3r h GLU 166 CO 0.01 -0.01 -0.65 1.63 -1.18 0.00 0.00 179.01 178.82 1j3r n LYS 167 N -2.26 0.46 0.00 1.92 5.02 -0.06 -5.09 118.16 118.16 1j3r n LYS 167 Ca -0.00 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 55.94 1j3r n LYS 167 Cb 0.01 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 1j3r n LYS 167 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j3r n GLY 168 N 1.45 -0.82 3.95 0.72 0.00 0.20 -4.46 105.19 106.23 1j3r n GLY 168 Ca 0.07 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 3.48 -0.96 1.61 0.08 -1.26 -4.71 117.98 116.21 1j3r s PHE 169 Ca 0.00 0.21 0.18 0.00 0.12 0.00 0.00 56.93 57.44 1j3r s PHE 169 Cb 0.00 -1.77 0.77 0.00 -0.57 0.00 0.00 43.02 41.45 1j3r s PHE 169 CO 0.00 0.27 1.58 -1.13 -0.10 0.00 0.00 175.22 175.83 1j3r n SER 170 N -1.53 0.06 -4.19 1.36 3.41 -1.26 -4.59 113.62 106.88 1j3r n SER 170 Ca -0.06 0.51 -0.12 0.00 -0.26 0.00 0.00 58.87 58.94 1j3r n SER 170 Cb 0.56 -0.53 -0.10 0.00 -0.26 0.00 0.00 64.21 63.88 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 -3.02 0.88 0.11 4.33 -0.14 -1.26 -0.33 119.74 120.31 1j3r s LYS 171 Ca 0.08 -1.31 0.06 0.00 -1.36 0.00 0.00 55.97 53.44 1j3r s LYS 171 Cb 0.11 -0.36 -0.04 0.00 -1.68 0.00 0.00 37.83 35.87 1j3r s LYS 171 CO 0.33 0.02 -0.15 0.96 -0.76 0.00 0.00 175.35 175.75 1j3r s ILE 172 N -3.28 1.35 -0.32 2.17 -4.36 0.90 -4.68 121.20 112.97 1j3r s ILE 172 Ca 0.11 -1.61 -0.02 0.00 -0.26 0.00 0.00 60.65 58.87 1j3r s ILE 172 Cb 0.03 -1.44 0.06 0.00 1.25 0.00 0.00 42.46 42.36 1j3r s ILE 172 CO -0.02 -0.33 0.05 -0.69 0.24 0.00 0.00 174.94 174.19 1j3r s VAL 173 N -1.82 3.08 0.40 8.37 1.01 -1.26 -1.28 120.40 128.90 1j3r s VAL 173 Ca 0.06 -1.52 0.05 0.00 0.00 0.00 0.00 61.98 60.57 1j3r s VAL 173 Cb -0.07 -2.85 -0.06 0.00 0.00 0.00 0.00 36.38 33.40 1j3r s VAL 173 CO 0.03 -0.24 0.03 0.68 0.00 0.00 0.00 175.10 175.61 1j3r s VAL 174 N 1.23 1.55 -0.19 2.92 -7.23 0.20 -2.49 120.40 116.39 1j3r s VAL 174 Ca -0.02 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.12 1j3r s VAL 174 Cb -0.20 -2.77 -0.01 0.00 0.56 0.00 0.00 36.38 33.95 1j3r s VAL 174 CO -0.02 0.00 -0.05 -0.70 -0.31 0.00 0.00 175.10 174.02 1j3r s GLU 175 N -3.79 3.44 -0.37 4.82 2.12 -0.46 -0.26 118.70 124.21 1j3r s GLU 175 Ca 0.30 -0.61 0.02 0.00 0.36 0.00 0.00 54.97 55.04 1j3r s GLU 175 Cb 0.08 -2.94 0.15 0.00 0.26 0.00 0.00 34.13 31.68 1j3r s GLU 175 CO 0.15 -0.05 0.28 -1.21 -0.54 0.00 0.00 175.26 173.89 1j3r s GLU 176 N 1.10 0.64 0.00 4.30 2.02 -1.26 -4.78 118.70 120.72 1j3r s GLU 176 Ca 0.01 -1.35 0.00 0.00 0.02 0.00 0.00 54.97 53.65 1j3r s GLU 176 Cb -0.15 -1.15 0.00 0.00 0.10 0.00 0.00 34.13 32.93 1j3r s GLU 176 CO -0.00 -1.24 0.00 0.09 0.02 0.00 0.00 175.26 174.12 1j3r n ASN 177 N 3.85 0.00 0.00 -0.19 3.02 -1.26 -4.71 115.26 115.98 1j3r n ASN 177 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1j3r n ASN 177 Cb 0.41 -2.23 0.00 0.00 -0.61 0.00 0.00 39.78 37.35 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 -2.00 -1.00 3.63 7.41 0.00 -1.26 -5.12 105.19 106.85 1j3r n GLY 178 Ca 0.00 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 1j3r n GLY 178 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j3r s LYS 179 N -2.00 4.04 -0.03 1.61 1.02 -1.26 -4.10 119.74 119.02 1j3r s LYS 179 Ca 0.00 1.00 0.05 0.00 0.02 0.00 0.00 55.97 57.05 1j3r s LYS 179 Cb 0.00 -3.74 -0.01 0.00 -0.52 0.00 0.00 37.83 33.56 1j3r s LYS 179 CO 0.00 -0.89 -0.19 0.08 -0.92 0.00 0.00 175.35 173.43 1j3r s VAL 180 N 3.59 1.52 -0.40 3.17 1.01 0.65 -4.98 120.40 124.96 1j3r s VAL 180 Ca 0.44 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 1j3r s VAL 180 Cb -0.12 -1.28 0.07 0.00 0.00 0.00 0.00 36.38 35.05 1j3r s VAL 180 CO 0.15 0.43 0.23 -0.69 0.00 0.00 0.00 175.10 175.22 1j3r s VAL 181 N -0.26 4.15 0.33 2.92 1.01 -1.26 -0.63 120.40 126.67 1j3r s VAL 181 Ca 0.03 -1.33 0.09 0.00 0.00 0.00 0.00 61.98 60.78 1j3r s VAL 181 Cb -0.09 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 1j3r s VAL 181 CO 0.01 -0.43 -0.03 0.68 0.00 0.00 0.00 175.10 175.32 1j3r s VAL 182 N 1.42 2.53 0.60 2.92 -7.23 -0.41 -4.92 120.40 115.32 1j3r s VAL 182 Ca 0.02 -2.07 -0.20 0.00 -1.81 0.00 0.00 61.98 57.93 1j3r s VAL 182 Cb -0.22 -2.72 -0.03 0.00 0.56 0.00 0.00 36.38 33.97 1j3r s VAL 182 CO 0.02 -0.22 1.31 -0.54 -0.31 0.00 0.00 175.10 175.37 1j3r s LYS 183 N -3.67 2.83 -0.43 4.82 1.02 -1.26 -0.07 119.74 122.98 1j3r s LYS 183 Ca 0.34 2.12 -0.21 0.00 0.02 0.00 0.00 55.97 58.23 1j3r s LYS 183 Cb 0.00 -2.02 0.02 0.00 -0.52 0.00 0.00 37.83 35.31 1j3r s LYS 183 CO 0.18 -1.40 0.69 0.34 -0.92 0.00 0.00 175.35 174.24 1j3r s ASP 184 N -1.23 6.37 0.23 2.83 2.15 0.55 -4.50 116.67 123.08 1j3r s ASP 184 Ca 0.78 -0.18 -0.06 0.00 0.43 0.00 0.00 52.55 53.52 1j3r s ASP 184 Cb -0.38 -2.34 0.39 0.00 -0.30 0.00 0.00 42.92 40.29 1j3r s ASP 184 CO 0.42 -0.79 1.75 0.78 -0.17 0.00 0.00 175.17 177.16 1j3r h ASN 185 N 8.84 0.34 -0.16 -0.34 4.21 -1.92 -0.97 115.58 125.57 1j3r h ASN 185 Ca -0.25 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.34 1j3r h ASN 185 Cb 1.09 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.34 1j3r h ASN 185 CO 0.91 0.16 0.00 -0.81 -1.29 0.00 0.00 177.43 176.40 1j3r n PRO 186 N -4.95 1.42 0.00 0.81 -0.04 -1.26 -5.23 135.00 125.75 1j3r n PRO 186 Ca 0.12 -0.65 0.15 0.00 -0.04 0.00 0.00 63.50 63.09 1j3r n PRO 186 Cb 0.35 -1.20 0.91 0.00 -0.04 0.00 0.00 33.50 33.52 1j3r n PRO 186 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63