#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j03 n PRO 0 N 0.00 0.89 0.02 1.61 -0.04 -1.26 -4.93 135.00 131.29 1j03 n PRO 0 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1j03 n PRO 0 Cb 0.00 0.00 0.21 0.00 -0.04 0.00 0.00 33.50 33.67 1j03 n PRO 0 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1j03 h MET 1 N 0.00 0.47 -4.24 0.54 2.86 -1.95 -3.48 114.93 109.13 1j03 h MET 1 Ca 0.00 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1j03 h MET 1 Cb 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1j03 h MET 1 CO 0.00 0.68 -0.75 0.39 1.06 0.00 0.00 176.91 178.29 1j03 n GLU 2 N -4.13 -4.27 -4.70 1.72 1.02 -1.26 -4.95 120.64 104.07 1j03 n GLU 2 Ca -0.00 3.03 -0.33 0.00 -0.02 0.00 0.00 57.16 59.83 1j03 n GLU 2 Cb 0.40 -3.53 -0.14 0.00 -0.02 0.00 0.00 31.44 28.15 1j03 n GLU 2 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1j03 s PHE 3 N -0.42 2.85 0.57 -0.32 0.40 -1.11 -4.88 117.98 115.09 1j03 s PHE 3 Ca 0.00 -0.58 -0.11 0.00 -0.60 0.00 0.00 56.93 55.64 1j03 s PHE 3 Cb 0.00 -1.87 -0.05 0.00 0.51 0.00 0.00 43.02 41.62 1j03 s PHE 3 CO 0.00 -0.18 0.98 0.95 0.70 0.00 0.00 175.22 177.66 1j03 s THR 4 N 0.36 4.72 0.57 0.64 -4.23 -1.26 -2.61 115.64 113.83 1j03 s THR 4 Ca -0.10 0.81 0.28 0.00 -1.18 0.00 0.00 61.69 61.51 1j03 s THR 4 Cb -0.16 -3.84 0.39 0.00 1.34 0.00 0.00 72.50 70.23 1j03 s THR 4 CO 0.05 -1.01 1.98 0.00 -0.54 0.00 0.00 174.62 175.10 1j03 h ALA 5 N 0.01 2.24 -0.04 3.99 0.00 -1.92 1.57 119.26 125.10 1j03 h ALA 5 Ca -0.45 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1j03 h ALA 5 Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1j03 h ALA 5 CO 0.62 -0.62 -0.15 0.93 0.00 0.00 0.00 179.25 180.03 1j03 h GLU 6 N 0.00 0.17 -0.10 0.00 5.08 -1.97 -2.05 114.58 115.71 1j03 h GLU 6 Ca 0.21 -0.13 -0.17 0.00 -1.00 0.00 0.00 59.36 58.27 1j03 h GLU 6 Cb 1.00 0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.28 1j03 h GLU 6 CO -0.00 0.77 -0.60 1.96 -1.00 0.00 0.00 179.01 180.14 1j03 h GLN 7 N -0.39 0.58 -0.31 2.33 7.50 -1.27 -3.05 115.11 120.49 1j03 h GLN 7 Ca -0.01 -0.49 0.06 0.00 0.50 0.00 0.00 58.65 58.70 1j03 h GLN 7 Cb 0.79 0.11 -0.02 0.00 0.05 0.00 0.00 27.48 28.41 1j03 h GLN 7 CO 0.03 1.12 0.22 1.25 -1.50 0.00 0.00 178.83 179.94 1j03 h LEU 8 N 0.21 0.16 0.00 1.46 5.85 0.20 0.68 115.31 123.87 1j03 h LEU 8 Ca -0.05 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1j03 h LEU 8 Cb 1.25 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1j03 h LEU 8 CO 0.12 0.11 0.00 -0.24 -0.34 0.00 0.00 178.44 178.09 1j03 n SER 9 N -4.48 0.00 -1.38 1.25 2.88 -0.77 -1.83 113.62 109.29 1j03 n SER 9 Ca 0.04 0.16 0.09 0.00 -1.33 0.00 0.00 58.87 57.82 1j03 n SER 9 Cb 0.26 -0.35 0.32 0.00 -0.75 0.00 0.00 64.21 63.69 1j03 n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j03 n GLN 10 N -1.35 3.44 -3.15 -1.46 6.02 0.24 -4.50 117.38 116.61 1j03 n GLN 10 Ca 0.08 -2.75 -0.20 0.00 -0.01 0.00 0.00 57.00 54.12 1j03 n GLN 10 Cb 0.18 -1.77 -0.03 0.00 1.02 0.00 0.00 30.24 29.63 1j03 n GLN 10 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1j03 n TYR 11 N 0.97 0.78 -0.07 1.08 4.01 -0.76 -4.80 117.16 118.37 1j03 n TYR 11 Ca 0.23 -3.84 0.05 0.00 -0.16 0.00 0.00 57.90 54.18 1j03 n TYR 11 Cb 0.80 -0.43 0.11 0.00 -0.31 0.00 0.00 39.34 39.51 1j03 n TYR 11 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1j03 n ASN 12 N 0.27 2.62 -2.05 7.72 0.23 -1.26 -0.48 115.26 122.30 1j03 n ASN 12 Ca 0.26 -1.91 -0.03 0.00 -0.53 0.00 0.00 54.58 52.37 1j03 n ASN 12 Cb 0.61 -0.16 -0.02 0.00 -2.08 0.00 0.00 39.78 38.12 1j03 n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1j03 n GLY 13 N 0.36 -4.08 0.00 4.83 0.00 -1.26 -3.76 105.19 101.28 1j03 n GLY 13 Ca 0.09 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1j03 n GLY 13 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1j03 n THR 14 N 0.80 0.00 0.00 2.61 5.66 -1.26 0.21 114.28 122.29 1j03 n THR 14 Ca -0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1j03 n THR 14 Cb 0.30 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.08 1j03 n THR 14 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1j03 n ASP 15 N 0.00 0.00 0.00 1.09 9.92 -1.26 -5.01 116.55 121.29 1j03 n ASP 15 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1j03 n ASP 15 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1j03 n ASP 15 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1j03 n GLU 16 N 0.00 0.00 -1.22 -1.24 1.02 -1.26 -4.63 120.64 113.30 1j03 n GLU 16 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 1j03 n GLU 16 Cb 0.00 -0.03 0.14 0.00 -0.02 0.00 0.00 31.44 31.53 1j03 n GLU 16 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1j03 n SER 17 N 0.00 4.28 -4.71 1.62 7.64 -1.26 -5.00 113.62 116.19 1j03 n SER 17 Ca 0.00 -3.76 -0.42 0.00 1.01 0.00 0.00 58.87 55.70 1j03 n SER 17 Cb 0.00 -0.70 -0.03 0.00 -1.01 0.00 0.00 64.21 62.47 1j03 n SER 17 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1j03 s LYS 18 N -3.45 4.52 0.81 1.43 3.01 -1.26 -5.03 119.74 119.76 1j03 s LYS 18 Ca 0.52 1.50 -0.12 0.00 -1.01 0.00 0.00 55.97 56.87 1j03 s LYS 18 Cb 0.44 -3.44 0.08 0.00 -1.01 0.00 0.00 37.83 33.90 1j03 s LYS 18 CO 0.02 -0.12 1.10 -1.25 0.51 0.00 0.00 175.35 175.61 1j03 s PRO 19 N 1.13 1.98 -0.23 -1.68 0.04 -1.26 -4.46 135.00 130.52 1j03 s PRO 19 Ca 0.53 0.60 -0.09 0.00 0.04 0.00 0.00 61.00 62.08 1j03 s PRO 19 Cb -0.23 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1j03 s PRO 19 CO 0.27 -1.68 0.11 0.42 0.04 0.00 0.00 177.00 176.17 1j03 s ILE 20 N -3.17 4.92 -0.06 0.56 1.09 -1.26 -4.06 121.20 119.21 1j03 s ILE 20 Ca 0.61 0.03 0.02 0.00 -1.10 0.00 0.00 60.65 60.21 1j03 s ILE 20 Cb -0.14 -3.28 0.01 0.00 -1.06 0.00 0.00 42.46 37.99 1j03 s ILE 20 CO 0.54 0.36 -0.12 -0.31 -0.10 0.00 0.00 174.94 175.31 1j03 s TYR 21 N 1.10 1.45 0.14 3.97 2.02 0.36 -3.02 117.35 123.38 1j03 s TYR 21 Ca 0.06 -0.53 0.05 0.00 -0.37 0.00 0.00 57.07 56.27 1j03 s TYR 21 Cb -0.14 -1.07 -0.04 0.00 -0.40 0.00 0.00 41.96 40.32 1j03 s TYR 21 CO 0.04 -0.27 0.11 0.08 -1.57 0.00 0.00 175.55 173.94 1j03 s VAL 22 N 0.65 4.44 -0.06 0.71 1.01 0.17 -2.57 120.40 124.76 1j03 s VAL 22 Ca -0.14 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 60.88 1j03 s VAL 22 Cb -0.16 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 1j03 s VAL 22 CO 0.04 -0.03 -0.21 0.00 0.00 0.00 0.00 175.10 174.89 1j03 s ALA 23 N -1.63 2.34 -0.24 5.51 0.00 -1.16 0.18 121.76 126.76 1j03 s ALA 23 Ca 0.30 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 1j03 s ALA 23 Cb -0.11 -0.80 0.13 0.00 0.00 0.00 0.00 23.12 22.34 1j03 s ALA 23 CO 0.23 0.44 0.40 0.42 0.00 0.00 0.00 175.76 177.24 1j03 s ILE 24 N -0.27 -0.64 -0.05 0.00 1.01 0.11 -2.63 121.20 118.73 1j03 s ILE 24 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.63 1j03 s ILE 24 Cb -0.13 -0.79 0.00 0.00 0.01 0.00 0.00 42.46 41.55 1j03 s ILE 24 CO 0.03 -0.08 0.00 0.29 0.00 0.00 0.00 174.94 175.18 1j03 n LYS 25 N 5.37 -0.69 -0.17 2.79 4.76 -1.26 -1.97 118.16 127.00 1j03 n LYS 25 Ca -0.04 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 1j03 n LYS 25 Cb 0.50 -3.76 0.00 0.00 -1.84 0.00 0.00 35.03 29.93 1j03 n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1j03 n GLY 26 N -1.63 0.90 3.41 0.72 0.00 -1.26 -5.01 105.19 102.32 1j03 n GLY 26 Ca -0.00 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1j03 n GLY 26 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1j03 s ARG 27 N -0.54 3.25 -0.18 1.61 3.52 -0.83 0.21 118.95 125.98 1j03 s ARG 27 Ca 0.00 -0.67 -0.22 0.00 -0.13 0.00 0.00 55.73 54.71 1j03 s ARG 27 Cb 0.00 -2.62 -0.02 0.00 -1.56 0.00 0.00 34.95 30.75 1j03 s ARG 27 CO 0.00 0.30 0.68 0.08 -0.81 0.00 0.00 175.30 175.55 1j03 s VAL 28 N 0.14 4.99 0.11 7.11 1.01 -0.14 -0.71 120.40 132.92 1j03 s VAL 28 Ca -0.06 1.30 0.10 0.00 0.00 0.00 0.00 61.98 63.32 1j03 s VAL 28 Cb -0.15 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1j03 s VAL 28 CO 0.05 0.10 -0.22 -0.36 0.00 0.00 0.00 175.10 174.66 1j03 s PHE 29 N 1.91 2.43 -0.21 5.22 0.08 0.47 -3.52 117.98 124.36 1j03 s PHE 29 Ca 0.31 -0.32 -0.15 0.00 0.12 0.00 0.00 56.93 56.89 1j03 s PHE 29 Cb -0.16 -1.32 -0.04 0.00 -0.57 0.00 0.00 43.02 40.94 1j03 s PHE 29 CO 0.11 0.34 0.38 0.34 -0.10 0.00 0.00 175.22 176.29 1j03 s ASP 30 N -2.01 6.40 0.00 1.36 -1.08 0.16 0.44 116.67 121.93 1j03 s ASP 30 Ca 0.16 0.47 0.00 0.00 -0.52 0.00 0.00 52.55 52.66 1j03 s ASP 30 Cb -0.10 -2.22 0.00 0.00 -1.46 0.00 0.00 42.92 39.14 1j03 s ASP 30 CO 0.08 -0.08 0.54 1.33 0.52 0.00 0.00 175.17 177.55 1j03 n VAL 31 N 4.40 0.28 0.20 1.11 0.24 -1.17 -3.68 118.33 119.71 1j03 n VAL 31 Ca -0.09 -0.45 0.17 0.00 -2.04 0.00 0.00 64.34 61.93 1j03 n VAL 31 Cb 0.51 1.07 0.70 0.00 -1.47 0.00 0.00 33.84 34.65 1j03 n VAL 31 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1j03 h THR 32 N 0.73 0.16 0.00 3.34 1.03 -1.90 0.20 112.91 116.46 1j03 h THR 32 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1j03 h THR 32 Cb 0.42 0.57 0.00 0.00 -1.07 0.00 0.00 68.15 68.06 1j03 h THR 32 CO 0.00 0.00 0.13 0.35 -0.01 0.00 0.00 175.52 175.99 1j03 n THR 33 N -3.23 1.41 -2.68 0.00 -2.24 -1.26 -1.40 114.28 104.88 1j03 n THR 33 Ca 0.04 0.48 -0.08 0.00 -2.27 0.00 0.00 64.05 62.22 1j03 n THR 33 Cb 0.60 -1.48 0.07 0.00 -2.10 0.00 0.00 70.33 67.42 1j03 n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j03 n GLY 34 N -1.35 1.46 0.41 3.38 0.00 0.69 -4.92 105.19 104.85 1j03 n GLY 34 Ca 0.00 -0.77 0.20 0.00 0.00 0.00 0.00 46.02 45.45 1j03 n GLY 34 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1j03 h LYS 35 N 2.52 0.00 0.00 1.61 2.10 -1.34 1.59 116.57 123.06 1j03 h LYS 35 Ca -0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 1j03 h LYS 35 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1j03 h LYS 35 CO 0.24 0.00 0.00 0.77 -2.00 0.00 0.00 179.45 178.46 1j03 h SER 36 N 0.00 0.00 0.00 7.07 0.02 -1.90 4.29 113.55 123.03 1j03 h SER 36 Ca 0.22 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.93 1j03 h SER 36 Cb 1.46 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.96 1j03 h SER 36 CO -0.00 0.00 -1.90 0.49 -1.14 0.00 0.00 176.83 174.28 1j03 n PHE 37 N -2.83 0.00 -0.06 3.45 3.72 0.53 -4.37 117.46 117.90 1j03 n PHE 37 Ca -0.02 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.20 1j03 n PHE 37 Cb 0.11 -0.61 -0.13 0.00 -0.94 0.00 0.00 39.48 37.91 1j03 n PHE 37 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1j03 n TYR 38 N -2.91 0.63 -0.83 1.38 4.01 -0.75 0.29 117.16 118.99 1j03 n TYR 38 Ca -0.27 0.14 -0.31 0.00 -0.16 0.00 0.00 57.90 57.30 1j03 n TYR 38 Cb 0.81 -1.09 0.08 0.00 -0.31 0.00 0.00 39.34 38.84 1j03 n TYR 38 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1j03 n GLY 39 N 2.07 -2.59 2.66 2.72 0.00 1.41 -4.48 105.19 106.98 1j03 n GLY 39 Ca -0.37 -0.37 -0.48 0.00 0.00 0.00 0.00 46.02 44.79 1j03 n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j03 n SER 40 N 1.43 0.84 -2.97 1.61 2.88 0.55 -2.84 113.62 115.11 1j03 n SER 40 Ca -0.00 0.85 -0.01 0.00 -1.33 0.00 0.00 58.87 58.37 1j03 n SER 40 Cb 0.60 -0.63 -0.01 0.00 -0.75 0.00 0.00 64.21 63.42 1j03 n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j03 n GLY 41 N 2.80 -1.65 1.96 0.46 0.00 -1.26 -5.01 105.19 102.48 1j03 n GLY 41 Ca 0.22 0.40 -0.06 0.00 0.00 0.00 0.00 46.02 46.57 1j03 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j03 n GLY 42 N 1.67 1.86 0.36 -0.02 0.00 -1.13 -4.91 105.19 103.01 1j03 n GLY 42 Ca -0.07 -1.28 0.03 0.00 0.00 0.00 0.00 46.02 44.70 1j03 n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1j03 n ASP 43 N -1.49 -0.44 -3.45 1.61 2.03 0.85 -0.96 116.55 114.68 1j03 n ASP 43 Ca -0.03 1.67 -0.33 0.00 0.52 0.00 0.00 54.79 56.62 1j03 n ASP 43 Cb 0.32 -0.46 -0.03 0.00 -0.72 0.00 0.00 41.12 40.23 1j03 n ASP 43 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1j03 n TYR 44 N -5.52 3.29 0.10 -0.67 4.01 0.20 -4.79 117.16 113.79 1j03 n TYR 44 Ca 0.13 -3.46 -0.03 0.00 -0.16 0.00 0.00 57.90 54.38 1j03 n TYR 44 Cb 0.45 -0.81 0.17 0.00 -0.31 0.00 0.00 39.34 38.83 1j03 n TYR 44 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1j03 h SER 45 N 4.12 0.20 0.73 7.72 4.64 -1.20 -1.19 113.55 128.57 1j03 h SER 45 Ca 0.25 -0.10 -0.26 0.00 -0.47 0.00 0.00 61.79 61.21 1j03 h SER 45 Cb 0.54 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 1j03 h SER 45 CO 1.01 0.71 -1.25 0.00 -0.87 0.00 0.00 176.83 176.42 1j03 h MET 46 N 0.14 0.13 -0.10 4.77 -0.00 -1.86 -3.30 114.93 114.70 1j03 h MET 46 Ca -0.00 -0.21 -0.16 0.00 -0.00 0.00 0.00 59.70 59.33 1j03 h MET 46 Cb 1.01 0.08 -0.01 0.00 -0.00 0.00 0.00 31.60 32.68 1j03 h MET 46 CO 0.08 1.03 -0.62 0.74 -0.00 0.00 0.00 176.91 178.14 1j03 h PHE 47 N 0.03 0.47 -1.58 -0.10 0.04 -1.80 -3.40 116.94 110.61 1j03 h PHE 47 Ca -0.12 -0.18 -0.72 0.00 2.80 0.00 0.00 57.97 59.74 1j03 h PHE 47 Cb 1.90 -0.08 0.03 0.00 2.20 0.00 0.00 35.95 40.00 1j03 h PHE 47 CO 0.03 0.88 0.76 0.00 -0.60 0.00 0.00 178.31 179.38 1j03 n ALA 48 N -2.49 -0.47 -4.03 2.45 0.00 -0.46 0.45 120.51 115.95 1j03 n ALA 48 Ca -0.03 0.43 -0.32 0.00 0.00 0.00 0.00 53.44 53.52 1j03 n ALA 48 Cb 0.64 -2.17 0.01 0.00 0.00 0.00 0.00 19.45 17.92 1j03 n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j03 n GLY 49 N 3.66 -0.47 3.48 0.00 0.00 -1.06 -4.64 105.19 106.16 1j03 n GLY 49 Ca 0.24 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.29 1j03 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j03 s LYS 50 N -6.73 1.09 -0.42 1.61 1.02 0.17 -3.76 119.74 112.72 1j03 s LYS 50 Ca 0.67 -0.11 -0.23 0.00 0.02 0.00 0.00 55.97 56.31 1j03 s LYS 50 Cb -0.35 0.51 0.02 0.00 -0.52 0.00 0.00 37.83 37.49 1j03 s LYS 50 CO 0.87 -0.42 0.78 0.34 -0.92 0.00 0.00 175.35 176.00 1j03 s ASP 51 N -1.97 6.45 -1.06 2.83 -1.08 -1.26 -2.99 116.67 117.59 1j03 s ASP 51 Ca -0.04 0.02 -0.02 0.00 -0.52 0.00 0.00 52.55 51.99 1j03 s ASP 51 Cb -0.01 -2.39 0.31 0.00 -1.46 0.00 0.00 42.92 39.38 1j03 s ASP 51 CO -0.02 -0.86 1.71 0.00 0.52 0.00 0.00 175.17 176.52 1j03 n ALA 52 N 6.62 5.75 0.03 3.66 0.00 -1.08 -0.02 120.51 135.46 1j03 n ALA 52 Ca 0.02 -4.67 -0.09 0.00 0.00 0.00 0.00 53.44 48.70 1j03 n ALA 52 Cb 0.48 -2.27 -0.07 0.00 0.00 0.00 0.00 19.45 17.60 1j03 n ALA 52 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1j03 h SER 53 N 4.69 -0.14 -0.36 0.00 0.02 -1.79 -1.54 113.55 114.43 1j03 h SER 53 Ca 0.41 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1j03 h SER 53 Cb 0.43 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1j03 h SER 53 CO 1.25 0.46 0.19 0.03 -1.14 0.00 0.00 176.83 177.62 1j03 h ARG 54 N -0.93 0.50 -0.40 3.45 2.47 -1.82 0.13 114.38 117.78 1j03 h ARG 54 Ca -0.02 -0.06 0.03 0.00 -1.26 0.00 0.00 59.98 58.67 1j03 h ARG 54 Cb 0.50 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.69 1j03 h ARG 54 CO 0.03 0.41 0.20 0.00 0.56 0.00 0.00 179.97 181.17 1j03 h ALA 55 N 1.06 0.49 0.06 0.04 0.00 -1.77 -1.17 119.26 117.97 1j03 h ALA 55 Ca 0.13 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1j03 h ALA 55 Cb 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1j03 h ALA 55 CO -0.02 -0.16 -0.05 -0.07 0.00 0.00 0.00 179.25 178.94 1j03 h LEU 56 N 0.40 -0.14 0.00 0.00 4.07 -0.91 1.44 115.31 120.17 1j03 h LEU 56 Ca 0.17 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.14 1j03 h LEU 56 Cb 0.08 0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.87 1j03 h LEU 56 CO -0.12 -0.09 0.00 0.61 -1.08 0.00 0.00 178.44 177.76 1j03 n GLY 57 N -1.16 -2.73 0.35 0.83 0.00 0.43 -2.13 105.19 100.78 1j03 n GLY 57 Ca -0.07 0.22 0.17 0.00 0.00 0.00 0.00 46.02 46.34 1j03 n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j03 h LYS 58 N 0.00 0.00 -1.80 1.61 1.57 -1.33 -3.41 116.57 113.21 1j03 h LYS 58 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1j03 h LYS 58 Cb 0.00 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.33 1j03 h LYS 58 CO 0.00 0.00 -0.17 -1.33 -0.57 0.00 0.00 179.45 177.38 1j03 n MET 59 N -3.25 -1.57 -1.73 3.15 2.81 0.45 -5.05 117.12 111.93 1j03 n MET 59 Ca 0.01 0.23 -0.05 0.00 -1.81 0.00 0.00 57.70 56.08 1j03 n MET 59 Cb 0.43 -3.60 0.01 0.00 -0.71 0.00 0.00 33.22 29.35 1j03 n MET 59 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1j03 n SER 60 N 0.52 0.94 -2.40 7.83 2.88 0.13 -4.95 113.62 118.56 1j03 n SER 60 Ca -0.02 -1.38 -0.10 0.00 -1.33 0.00 0.00 58.87 56.04 1j03 n SER 60 Cb 0.53 -0.05 0.04 0.00 -0.75 0.00 0.00 64.21 63.98 1j03 n SER 60 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1j03 n LYS 61 N -1.03 2.49 -2.52 -1.46 2.85 -1.26 -4.55 118.16 112.67 1j03 n LYS 61 Ca 0.02 -3.75 -0.40 0.00 -1.05 0.00 0.00 58.31 53.13 1j03 n LYS 61 Cb 0.14 -1.85 -0.05 0.00 -0.65 0.00 0.00 35.03 32.62 1j03 n LYS 61 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1j03 s ASN 62 N -3.66 7.34 0.40 -5.58 -0.87 -1.26 -4.93 114.94 106.38 1j03 s ASN 62 Ca 0.38 2.21 0.22 0.00 -1.57 0.00 0.00 52.86 54.09 1j03 s ASN 62 Cb 0.36 -2.62 0.49 0.00 -0.02 0.00 0.00 41.25 39.46 1j03 s ASN 62 CO -0.01 -0.09 1.65 -0.08 -2.57 0.00 0.00 177.10 175.99 1j03 h GLU 63 N 3.91 0.00 0.00 -0.60 4.22 -1.97 -3.06 114.58 117.07 1j03 h GLU 63 Ca -0.46 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 58.95 1j03 h GLU 63 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1j03 h GLU 63 CO 0.67 0.21 -1.19 0.39 -2.18 0.00 0.00 179.01 176.91 1j03 n GLU 64 N -3.20 0.61 -0.02 1.92 -0.58 -1.26 -4.11 120.64 114.01 1j03 n GLU 64 Ca 0.02 0.09 -0.10 0.00 -0.42 0.00 0.00 57.16 56.75 1j03 n GLU 64 Cb 0.55 -1.78 -0.04 0.00 -0.57 0.00 0.00 31.44 29.59 1j03 n GLU 64 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1j03 h ASP 65 N 0.00 0.08 0.00 1.62 5.19 -1.93 -3.42 116.42 117.97 1j03 h ASP 65 Ca -0.02 0.01 -0.46 0.00 -0.62 0.00 0.00 57.03 55.94 1j03 h ASP 65 Cb 1.08 -0.01 -0.05 0.00 0.18 0.00 0.00 39.33 40.54 1j03 h ASP 65 CO 0.01 0.07 1.10 0.52 -3.12 0.00 0.00 179.24 177.81 1j03 n VAL 66 N -5.04 0.00 -4.03 -1.35 0.31 -1.24 -3.76 118.33 103.22 1j03 n VAL 66 Ca -0.04 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.97 1j03 n VAL 66 Cb 0.05 -0.36 -0.15 0.00 -0.91 0.00 0.00 33.84 32.47 1j03 n VAL 66 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1j03 s SER 67 N 5.33 4.60 0.00 4.52 0.15 0.97 -4.87 113.70 124.40 1j03 s SER 67 Ca 0.91 -1.60 0.13 0.00 0.70 0.00 0.00 55.95 56.09 1j03 s SER 67 Cb -0.99 -1.60 0.78 0.00 -1.71 0.00 0.00 66.02 62.50 1j03 s SER 67 CO 0.41 -0.26 1.32 -0.81 1.20 0.00 0.00 173.24 175.10 1j03 n PRO 68 N 4.41 0.75 -3.74 5.44 -0.04 -1.26 -3.86 135.00 136.69 1j03 n PRO 68 Ca -0.09 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.24 1j03 n PRO 68 Cb 0.42 -1.27 -0.09 0.00 -0.04 0.00 0.00 33.50 32.51 1j03 n PRO 68 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1j03 s SER 69 N -1.66 -0.32 -0.61 3.54 1.04 -1.26 -4.65 113.70 109.78 1j03 s SER 69 Ca 0.20 0.49 -0.06 0.00 0.48 0.00 0.00 55.95 57.06 1j03 s SER 69 Cb 0.09 0.58 -0.12 0.00 0.10 0.00 0.00 66.02 66.67 1j03 s SER 69 CO 0.15 -0.28 2.52 0.18 0.98 0.00 0.00 173.24 176.79 1j03 n LEU 70 N 2.16 4.97 -2.98 2.42 4.77 -1.26 -4.49 117.00 122.59 1j03 n LEU 70 Ca -0.17 -2.89 -0.34 0.00 -0.03 0.00 0.00 56.01 52.58 1j03 n LEU 70 Cb 0.57 -1.12 0.01 0.00 -2.33 0.00 0.00 43.42 40.54 1j03 n LEU 70 CO 0.17 1.05 0.91 -1.84 -1.33 0.00 0.00 177.39 176.35 1j03 n GLU 71 N 3.38 3.66 0.00 3.23 0.28 -1.26 -4.45 120.64 125.47 1j03 n GLU 71 Ca 0.43 -4.30 0.00 0.00 -0.16 0.00 0.00 57.16 53.13 1j03 n GLU 71 Cb 0.38 -2.31 0.00 0.00 1.43 0.00 0.00 31.44 30.95 1j03 n GLU 71 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1j03 n GLY 72 N -0.36 0.24 3.51 -1.84 0.00 -1.26 -5.10 105.19 100.38 1j03 n GLY 72 Ca 0.44 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 46.01 1j03 n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j03 n LEU 73 N 0.00 2.33 0.00 0.99 7.99 -1.26 -4.92 117.00 122.13 1j03 n LEU 73 Ca 0.00 0.18 -0.28 0.00 -0.01 0.00 0.00 56.01 55.90 1j03 n LEU 73 Cb 0.00 -1.37 0.21 0.00 -0.11 0.00 0.00 43.42 42.14 1j03 n LEU 73 CO 0.00 -0.87 0.78 0.35 -1.51 0.00 0.00 177.39 176.14 1j03 n THR 74 N 7.52 0.00 -0.18 -5.08 -2.24 -1.26 -4.63 114.28 108.41 1j03 n THR 74 Ca 0.39 -0.82 -0.10 0.00 -2.27 0.00 0.00 64.05 61.25 1j03 n THR 74 Cb 0.33 -1.46 0.01 0.00 -2.10 0.00 0.00 70.33 67.11 1j03 n THR 74 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1j03 h GLU 75 N 0.00 0.89 -0.36 -0.78 5.08 -1.95 2.04 114.58 119.49 1j03 h GLU 75 Ca -0.41 -0.27 0.07 0.00 -1.00 0.00 0.00 59.36 57.75 1j03 h GLU 75 Cb 1.15 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.24 1j03 h GLU 75 CO 0.28 0.90 -0.08 1.57 -1.00 0.00 0.00 179.01 180.68 1j03 h LYS 76 N 0.76 0.01 0.21 2.33 2.10 -1.99 0.27 116.57 120.26 1j03 h LYS 76 Ca 0.15 -0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.49 1j03 h LYS 76 Cb 0.49 -0.00 0.04 0.00 -0.90 0.00 0.00 32.23 31.85 1j03 h LYS 76 CO 0.02 0.00 -1.33 1.05 -2.00 0.00 0.00 179.45 177.20 1j03 h GLU 77 N 0.01 0.52 -0.70 0.07 4.11 -1.80 -2.92 114.58 113.87 1j03 h GLU 77 Ca 0.17 -0.85 0.20 0.00 0.07 0.00 0.00 59.36 58.96 1j03 h GLU 77 Cb 0.26 0.31 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1j03 h GLU 77 CO -0.36 1.40 0.54 0.82 0.07 0.00 0.00 179.01 181.48 1j03 h ILE 78 N 0.08 0.56 0.06 -1.06 1.08 0.38 6.81 117.51 125.41 1j03 h ILE 78 Ca -0.23 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.16 1j03 h ILE 78 Cb 2.04 0.61 0.01 0.00 -3.07 0.00 0.00 36.82 36.41 1j03 h ILE 78 CO 0.25 0.00 -0.37 0.78 -0.69 0.00 0.00 178.15 178.12 1j03 h ASN 79 N 0.00 0.22 0.01 1.72 2.35 -0.47 -2.40 115.58 117.01 1j03 h ASN 79 Ca 0.33 -0.96 -0.06 0.00 -0.55 0.00 0.00 56.30 55.06 1j03 h ASN 79 Cb 1.41 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 39.72 1j03 h ASN 79 CO -0.00 1.17 -0.26 0.74 -1.65 0.00 0.00 177.43 177.43 1j03 h THR 80 N -0.69 1.58 0.27 2.81 2.02 -0.58 -2.80 112.91 115.53 1j03 h THR 80 Ca -0.06 -2.05 0.01 0.00 0.77 0.00 0.00 66.41 65.07 1j03 h THR 80 Cb 1.28 2.90 -0.03 0.00 -1.74 0.00 0.00 68.15 70.56 1j03 h THR 80 CO 0.07 0.56 -0.35 0.25 0.37 0.00 0.00 175.52 176.41 1j03 h LEU 81 N -0.57 -0.98 -1.28 2.58 7.12 1.39 0.89 115.31 124.46 1j03 h LEU 81 Ca -0.04 0.09 0.22 0.00 0.13 0.00 0.00 57.88 58.29 1j03 h LEU 81 Cb 1.05 0.35 -0.09 0.00 -0.53 0.00 0.00 40.66 41.44 1j03 h LEU 81 CO 0.05 -0.47 0.62 0.78 -0.13 0.00 0.00 178.44 179.29 1j03 h ASN 82 N -0.68 0.56 0.15 1.25 4.21 -1.48 0.75 115.58 120.34 1j03 h ASN 82 Ca -0.01 0.08 -0.17 0.00 1.21 0.00 0.00 56.30 57.41 1j03 h ASN 82 Cb 0.64 -0.02 -0.00 0.00 -1.12 0.00 0.00 38.32 37.82 1j03 h ASN 82 CO -0.11 0.18 -0.65 -0.78 -1.29 0.00 0.00 177.43 174.78 1j03 h ASP 83 N 0.54 0.54 -0.67 5.81 1.82 -0.83 -2.17 116.42 121.45 1j03 h ASP 83 Ca 0.55 -0.33 0.01 0.00 -0.39 0.00 0.00 57.03 56.87 1j03 h ASP 83 Cb 1.17 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.99 1j03 h ASP 83 CO -0.29 1.05 0.45 -0.50 -1.61 0.00 0.00 179.24 178.33 1j03 h TRP 84 N 0.34 0.84 -0.40 0.28 4.06 0.70 0.47 115.95 122.25 1j03 h TRP 84 Ca -0.02 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 1j03 h TRP 84 Cb 1.21 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 29.07 1j03 h TRP 84 CO 0.05 0.53 0.16 1.49 -3.56 0.00 0.00 178.44 177.10 1j03 h GLU 85 N 0.91 0.59 -0.30 0.49 4.81 -0.75 0.45 114.58 120.78 1j03 h GLU 85 Ca 0.25 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1j03 h GLU 85 Cb -0.10 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 1j03 h GLU 85 CO -0.06 0.57 -0.06 1.15 -0.73 0.00 0.00 179.01 179.87 1j03 h THR 86 N 0.50 1.21 -0.11 0.32 2.02 -0.74 0.71 112.91 116.81 1j03 h THR 86 Ca 0.13 -0.87 -0.16 0.00 0.77 0.00 0.00 66.41 66.28 1j03 h THR 86 Cb 0.19 1.06 0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1j03 h THR 86 CO -0.01 0.29 -0.55 0.11 0.37 0.00 0.00 175.52 175.73 1j03 h LYS 87 N 0.45 0.57 -0.29 6.66 1.57 0.38 0.05 116.57 125.97 1j03 h LYS 87 Ca 0.09 -0.47 -0.09 0.00 -1.87 0.00 0.00 60.65 58.31 1j03 h LYS 87 Cb 0.40 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1j03 h LYS 87 CO 0.02 1.09 -0.19 0.74 -0.57 0.00 0.00 179.45 180.54 1j03 h PHE 88 N 0.20 0.74 0.00 -1.35 -1.00 0.23 0.11 116.94 115.88 1j03 h PHE 88 Ca -0.04 -0.20 0.00 0.00 2.81 0.00 0.00 57.97 60.54 1j03 h PHE 88 Cb 1.19 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 40.59 1j03 h PHE 88 CO 0.11 0.89 0.00 1.05 -1.61 0.00 0.00 178.31 178.75 1j03 h GLU 89 N 0.37 0.00 0.00 1.51 -0.00 0.37 1.85 114.58 118.69 1j03 h GLU 89 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.42 1j03 h GLU 89 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.48 1j03 h GLU 89 CO 0.05 0.00 -0.77 0.00 -0.00 0.00 0.00 179.01 178.29 1j03 n ALA 90 N -2.05 3.95 -0.28 1.06 0.00 0.00 -4.68 120.51 118.51 1j03 n ALA 90 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1j03 n ALA 90 Cb 0.35 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1j03 n ALA 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1j03 n LYS 91 N -1.58 0.00 -1.97 0.00 5.02 0.37 -5.02 118.16 114.97 1j03 n LYS 91 Ca 0.04 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.94 1j03 n LYS 91 Cb 0.35 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.36 1j03 n LYS 91 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1j03 s TYR 92 N -0.72 2.73 0.24 2.13 2.02 0.62 -4.97 117.35 119.41 1j03 s TYR 92 Ca 0.00 1.35 -0.30 0.00 -0.37 0.00 0.00 57.07 57.76 1j03 s TYR 92 Cb 0.00 -3.77 -0.09 0.00 -0.40 0.00 0.00 41.96 37.71 1j03 s TYR 92 CO 0.00 -2.36 1.09 -1.25 -1.57 0.00 0.00 175.55 171.47 1j03 s PRO 93 N -2.23 4.64 -0.44 -1.71 0.04 -1.24 -4.24 135.00 129.82 1j03 s PRO 93 Ca 0.57 1.76 -0.20 0.00 0.04 0.00 0.00 61.00 63.17 1j03 s PRO 93 Cb -0.40 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 30.94 1j03 s PRO 93 CO 0.52 0.18 0.59 0.08 0.04 0.00 0.00 177.00 178.41 1j03 s VAL 94 N -0.84 4.90 -1.15 -0.36 1.01 -1.26 0.35 120.40 123.06 1j03 s VAL 94 Ca 0.46 -0.04 0.26 0.00 0.00 0.00 0.00 61.98 62.66 1j03 s VAL 94 Cb -0.31 -4.17 0.09 0.00 0.00 0.00 0.00 36.38 32.00 1j03 s VAL 94 CO 0.38 -0.56 1.52 1.33 0.00 0.00 0.00 175.10 177.77 1j03 n VAL 95 N 5.73 0.00 -1.80 2.92 0.24 -1.23 -5.00 118.33 119.19 1j03 n VAL 95 Ca -0.03 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1j03 n VAL 95 Cb 0.48 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 1j03 n VAL 95 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j03 n GLY 96 N 1.46 -1.93 3.23 7.63 0.00 -1.25 -3.66 105.19 110.68 1j03 n GLY 96 Ca 0.07 -1.18 -0.27 0.00 0.00 0.00 0.00 46.02 44.64 1j03 n GLY 96 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1j03 s ARG 97 N -1.75 1.63 0.04 1.61 1.04 -1.26 -0.96 118.95 119.30 1j03 s ARG 97 Ca 0.00 -0.80 -0.31 0.00 -1.04 0.00 0.00 55.73 53.59 1j03 s ARG 97 Cb 0.00 -1.62 -0.10 0.00 -2.04 0.00 0.00 34.95 31.19 1j03 s ARG 97 CO 0.00 0.44 1.94 0.28 -0.04 0.00 0.00 175.30 177.92 1j03 n VAL 98 N 2.40 0.68 -0.07 4.99 0.31 0.56 -2.74 118.33 124.45 1j03 n VAL 98 Ca -0.16 -0.12 -0.09 0.00 -0.01 0.00 0.00 64.34 63.96 1j03 n VAL 98 Cb 0.53 -2.24 -0.03 0.00 -0.91 0.00 0.00 33.84 31.19 1j03 n VAL 98 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1j03 n VAL 99 N 5.35 1.43 -0.30 2.52 0.24 -1.07 -4.72 118.33 121.78 1j03 n VAL 99 Ca 0.20 0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.63 1j03 n VAL 99 Cb 0.39 -2.16 0.00 0.00 -1.47 0.00 0.00 33.84 30.60 1j03 n VAL 99 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45