#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 0.98 0.07 1.61 -0.04 -1.26 -4.95 135.00 131.42 1j03 n PRO 0 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1j03 n PRO 0 Cb 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 33.56 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 0.28 -4.86 0.54 2.86 -1.94 -3.49 114.93 108.32 1j03 h MET 1 Ca 0.00 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1j03 h MET 1 Cb 0.00 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 1j03 h MET 1 CO 0.00 0.82 -0.79 0.39 1.06 0.00 0.00 176.91 178.39 1j03 n GLU 2 N -3.86 -3.35 -4.36 1.72 1.02 -1.26 -4.92 120.64 105.63 1j03 n GLU 2 Ca -0.03 2.50 -0.34 0.00 -0.02 0.00 0.00 57.16 59.28 1j03 n GLU 2 Cb 0.64 -3.32 -0.11 0.00 -0.02 0.00 0.00 31.44 28.62 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 -0.40 3.06 0.59 -0.32 0.40 -1.17 -4.86 117.98 115.29 1j03 s PHE 3 Ca -0.08 -0.19 -0.15 0.00 -0.60 0.00 0.00 56.93 55.91 1j03 s PHE 3 Cb 0.01 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 1j03 s PHE 3 CO 0.21 0.05 1.05 0.95 0.70 0.00 0.00 175.22 178.17 1j03 s THR 4 N 0.20 3.93 0.50 0.64 -4.23 -1.26 -3.11 115.64 112.31 1j03 s THR 4 Ca -0.01 0.89 0.24 0.00 -1.18 0.00 0.00 61.69 61.63 1j03 s THR 4 Cb -0.14 -3.43 0.42 0.00 1.34 0.00 0.00 72.50 70.69 1j03 s THR 4 CO 0.02 -0.56 1.93 0.00 -0.54 0.00 0.00 174.62 175.47 1j03 h ALA 5 N 0.41 2.50 -0.10 3.99 0.00 -1.92 1.89 119.26 126.03 1j03 h ALA 5 Ca -0.47 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 1j03 h ALA 5 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1j03 h ALA 5 CO 0.58 -0.72 -0.19 0.93 0.00 0.00 0.00 179.25 179.85 1j03 h GLU 6 N 0.14 0.30 -0.13 0.00 5.08 -1.97 -0.99 114.58 117.00 1j03 h GLU 6 Ca 0.36 -0.20 -0.19 0.00 -1.00 0.00 0.00 59.36 58.33 1j03 h GLU 6 Cb 1.23 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1j03 h GLU 6 CO -0.05 0.79 -0.71 1.96 -1.00 0.00 0.00 179.01 180.00 1j03 h GLN 7 N -0.15 0.59 -0.00 2.33 1.08 -1.20 -2.95 115.11 114.81 1j03 h GLN 7 Ca 0.00 -0.46 -0.06 0.00 -1.45 0.00 0.00 58.65 56.69 1j03 h GLN 7 Cb 0.78 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.29 1j03 h GLN 7 CO 0.04 1.08 -0.29 1.25 -0.95 0.00 0.00 178.83 179.96 1j03 h LEU 8 N 0.41 0.00 0.00 1.46 5.85 0.28 -0.24 115.31 123.08 1j03 h LEU 8 Ca -0.03 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1j03 h LEU 8 Cb 1.30 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1j03 h LEU 8 CO 0.13 0.29 0.00 -1.54 -0.34 0.00 0.00 178.44 176.98 1j03 n SER 9 N -4.20 0.00 -1.54 1.25 3.41 -0.38 -2.49 113.62 109.67 1j03 n SER 9 Ca -0.02 -1.18 0.10 0.00 -0.26 0.00 0.00 58.87 57.51 1j03 n SER 9 Cb 0.34 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.64 1j03 n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j03 n GLN 10 N -0.79 3.49 -2.78 4.33 6.02 -0.10 -4.23 117.38 123.32 1j03 n GLN 10 Ca 0.12 -2.80 -0.02 0.00 -0.01 0.00 0.00 57.00 54.28 1j03 n GLN 10 Cb 0.05 -1.82 0.05 0.00 1.02 0.00 0.00 30.24 29.54 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 1.26 1.29 0.34 1.08 4.01 -1.04 -4.76 117.16 119.35 1j03 n TYR 11 Ca 0.25 -2.27 0.04 0.00 -0.16 0.00 0.00 57.90 55.77 1j03 n TYR 11 Cb 0.83 -0.26 0.19 0.00 -0.31 0.00 0.00 39.34 39.78 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 -0.50 2.84 -1.74 7.72 0.23 -1.26 -2.31 115.26 120.24 1j03 n ASN 12 Ca 0.09 -2.29 -0.01 0.00 -0.53 0.00 0.00 54.58 51.83 1j03 n ASN 12 Cb 0.81 -0.47 -0.01 0.00 -2.08 0.00 0.00 39.78 38.03 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 0.59 -3.81 0.00 4.83 0.00 -1.26 -3.90 105.19 101.64 1j03 n GLY 13 Ca 0.13 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 0.61 0.00 -0.86 2.61 5.66 -1.26 -1.36 114.28 119.68 1j03 n THR 14 Ca -0.10 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.75 1j03 n THR 14 Cb 0.15 0.00 0.12 0.00 -1.55 0.00 0.00 70.33 69.06 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 -1.36 -0.13 1.09 9.92 -1.26 -5.01 116.55 119.80 1j03 n ASP 15 Ca 0.00 -0.89 -0.26 0.00 -0.53 0.00 0.00 54.79 53.12 1j03 n ASP 15 Cb 0.00 -0.51 -0.09 0.00 -0.64 0.00 0.00 41.12 39.88 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 -3.10 0.58 -0.12 -1.24 1.02 -1.26 -4.77 120.64 111.75 1j03 n GLU 16 Ca 0.08 0.30 -0.26 0.00 -0.02 0.00 0.00 57.16 57.26 1j03 n GLU 16 Cb 0.30 -1.52 -0.11 0.00 -0.02 0.00 0.00 31.44 30.09 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 -4.31 1.92 -4.18 1.62 7.64 -1.26 -4.94 113.62 110.11 1j03 n SER 17 Ca -0.46 0.36 -0.59 0.00 1.01 0.00 0.00 58.87 59.19 1j03 n SER 17 Cb 0.81 -0.88 -0.08 0.00 -1.01 0.00 0.00 64.21 63.04 1j03 n SER 17 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1j03 n LYS 18 N -4.29 0.00 0.00 1.43 4.01 -1.26 -4.91 118.16 113.14 1j03 n LYS 18 Ca -0.44 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.36 1j03 n LYS 18 Cb 0.80 -1.34 0.00 0.00 -0.51 0.00 0.00 35.03 33.98 1j03 n LYS 18 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1j03 n PRO 19 N 2.96 0.59 -4.02 1.97 -0.04 -1.26 -4.65 135.00 130.54 1j03 n PRO 19 Ca 0.25 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.40 1j03 n PRO 19 Cb -0.02 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.28 1j03 n PRO 19 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1j03 s ILE 20 N -0.27 1.66 -0.03 0.52 1.09 -1.26 -4.31 121.20 118.59 1j03 s ILE 20 Ca 0.00 -0.80 0.06 0.00 -1.10 0.00 0.00 60.65 58.81 1j03 s ILE 20 Cb 0.00 -1.61 -0.01 0.00 -1.06 0.00 0.00 42.46 39.78 1j03 s ILE 20 CO 0.00 0.37 -0.19 -0.31 -0.10 0.00 0.00 174.94 174.70 1j03 s TYR 21 N 1.43 1.82 0.12 3.97 2.02 -0.98 -2.56 117.35 123.17 1j03 s TYR 21 Ca 0.03 -0.42 0.09 0.00 -0.37 0.00 0.00 57.07 56.40 1j03 s TYR 21 Cb -0.14 -1.19 -0.04 0.00 -0.40 0.00 0.00 41.96 40.19 1j03 s TYR 21 CO -0.10 -0.09 -0.19 0.08 -1.57 0.00 0.00 175.55 173.68 1j03 s VAL 22 N -0.29 2.75 -0.14 0.71 1.01 0.41 -2.48 120.40 122.37 1j03 s VAL 22 Ca 0.03 -1.54 -0.03 0.00 0.00 0.00 0.00 61.98 60.44 1j03 s VAL 22 Cb -0.09 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1j03 s VAL 22 CO 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 175.10 175.18 1j03 s ALA 23 N -1.13 3.09 -0.16 5.51 0.00 -1.21 0.35 121.76 128.21 1j03 s ALA 23 Ca 0.17 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 51.28 1j03 s ALA 23 Cb -0.10 -1.56 0.07 0.00 0.00 0.00 0.00 23.12 21.53 1j03 s ALA 23 CO 0.09 0.30 0.14 0.42 0.00 0.00 0.00 175.76 176.71 1j03 s ILE 24 N 0.07 -0.19 -0.49 0.00 1.01 0.16 -2.59 121.20 119.17 1j03 s ILE 24 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.63 1j03 s ILE 24 Cb -0.13 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.80 1j03 s ILE 24 CO 0.02 -0.16 0.00 0.29 0.00 0.00 0.00 174.94 175.10 1j03 n LYS 25 N 5.30 -1.17 -0.10 2.79 4.76 -1.26 -1.17 118.16 127.31 1j03 n LYS 25 Ca -0.06 0.55 0.00 0.00 -2.87 0.00 0.00 58.31 55.93 1j03 n LYS 25 Cb 0.49 -4.55 0.00 0.00 -1.84 0.00 0.00 35.03 29.14 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 -0.73 0.95 3.30 0.72 0.00 -1.26 -4.79 105.19 103.39 1j03 n GLY 26 Ca -0.05 -0.06 -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 -0.47 3.26 -0.20 1.61 3.52 -0.32 0.26 118.95 126.62 1j03 s ARG 27 Ca 0.00 -0.75 -0.27 0.00 -0.13 0.00 0.00 55.73 54.58 1j03 s ARG 27 Cb 0.00 -2.56 -0.00 0.00 -1.56 0.00 0.00 34.95 30.83 1j03 s ARG 27 CO 0.00 0.14 0.93 0.08 -0.81 0.00 0.00 175.30 175.64 1j03 s VAL 28 N 0.50 4.78 0.06 7.11 1.01 0.19 0.38 120.40 134.44 1j03 s VAL 28 Ca -0.11 1.82 0.08 0.00 0.00 0.00 0.00 61.98 63.78 1j03 s VAL 28 Cb -0.16 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 1j03 s VAL 28 CO 0.05 -0.07 -0.19 -0.36 0.00 0.00 0.00 175.10 174.52 1j03 s PHE 29 N 2.65 2.52 -0.11 5.22 0.08 1.06 -2.91 117.98 126.49 1j03 s PHE 29 Ca 0.41 -0.28 -0.17 0.00 0.12 0.00 0.00 56.93 57.01 1j03 s PHE 29 Cb -0.16 -1.42 -0.04 0.00 -0.57 0.00 0.00 43.02 40.82 1j03 s PHE 29 CO 0.10 0.27 0.44 -0.51 -0.10 0.00 0.00 175.22 175.42 1j03 s ASP 30 N -1.59 6.65 0.00 1.36 1.11 0.79 0.15 116.67 125.14 1j03 s ASP 30 Ca 0.15 0.78 0.00 0.00 0.18 0.00 0.00 52.55 53.66 1j03 s ASP 30 Cb -0.10 -2.26 0.00 0.00 1.07 0.00 0.00 42.92 41.62 1j03 s ASP 30 CO 0.06 0.05 0.60 1.33 1.18 0.00 0.00 175.17 178.39 1j03 n VAL 31 N 3.46 0.31 0.13 -1.27 0.24 -1.06 -3.32 118.33 116.82 1j03 n VAL 31 Ca -0.09 -0.34 0.19 0.00 -2.04 0.00 0.00 64.34 62.07 1j03 n VAL 31 Cb 0.52 0.96 0.73 0.00 -1.47 0.00 0.00 33.84 34.58 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 1.63 0.26 0.00 3.34 1.03 -1.91 0.30 112.91 117.57 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 0.72 0.60 0.00 0.00 -1.07 0.00 0.00 68.15 68.40 1j03 h THR 32 CO 0.00 0.00 0.08 0.35 -0.01 0.00 0.00 175.52 175.94 1j03 n THR 33 N -3.49 1.50 -2.70 0.00 -2.24 -1.26 -1.78 114.28 104.31 1j03 n THR 33 Ca 0.06 0.45 -0.05 0.00 -2.27 0.00 0.00 64.05 62.24 1j03 n THR 33 Cb 0.63 -1.45 0.09 0.00 -2.10 0.00 0.00 70.33 67.50 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 -1.37 1.59 0.39 3.38 0.00 0.10 -4.93 105.19 104.36 1j03 n GLY 34 Ca 0.00 -0.50 0.18 0.00 0.00 0.00 0.00 46.02 45.71 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 2.06 0.00 0.00 1.61 2.10 -1.35 0.84 116.57 121.82 1j03 h LYS 35 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1j03 h LYS 35 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1j03 h LYS 35 CO 0.06 0.00 0.14 0.77 -2.00 0.00 0.00 179.45 178.42 1j03 h SER 36 N 0.00 0.00 0.00 7.07 0.02 -1.90 4.82 113.55 123.55 1j03 h SER 36 Ca 0.16 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.86 1j03 h SER 36 Cb 1.30 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.80 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 -2.72 0.00 -0.01 3.45 3.01 0.29 -4.30 117.46 117.18 1j03 n PHE 37 Ca -0.02 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.26 1j03 n PHE 37 Cb 0.19 -0.59 -0.14 0.00 -0.01 0.00 0.00 39.48 38.93 1j03 n PHE 37 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1j03 n TYR 38 N -3.35 1.10 -0.91 1.38 4.01 -0.97 0.30 117.16 118.72 1j03 n TYR 38 Ca -0.30 0.27 -0.37 0.00 -0.16 0.00 0.00 57.90 57.34 1j03 n TYR 38 Cb 0.76 -1.16 0.07 0.00 -0.31 0.00 0.00 39.34 38.70 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 1.91 -2.88 2.88 2.72 0.00 1.57 -4.41 105.19 106.97 1j03 n GLY 39 Ca -0.29 -0.30 -0.50 0.00 0.00 0.00 0.00 46.02 44.93 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 2.10 0.30 -3.20 1.61 2.88 -0.46 -2.64 113.62 114.21 1j03 n SER 40 Ca -0.01 0.94 -0.09 0.00 -1.33 0.00 0.00 58.87 58.38 1j03 n SER 40 Cb 0.72 -0.73 0.01 0.00 -0.75 0.00 0.00 64.21 63.46 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 1.84 -0.46 2.65 0.46 0.00 -1.26 -4.98 105.19 103.44 1j03 n GLY 41 Ca 0.19 0.35 -0.09 0.00 0.00 0.00 0.00 46.02 46.46 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 0.85 1.94 0.36 -0.02 0.00 -1.08 -4.95 105.19 102.29 1j03 n GLY 42 Ca -0.02 -1.42 0.05 0.00 0.00 0.00 0.00 46.02 44.63 1j03 n GLY 42 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1j03 h ASP 43 N 1.49 -1.02 -2.29 1.61 1.82 0.44 0.13 116.42 118.60 1j03 h ASP 43 Ca -0.22 0.30 -0.75 0.00 -0.39 0.00 0.00 57.03 55.97 1j03 h ASP 43 Cb 0.91 0.64 -0.31 0.00 0.68 0.00 0.00 39.33 41.25 1j03 h ASP 43 CO 0.29 -0.32 0.53 -1.22 -1.61 0.00 0.00 179.24 176.91 1j03 n TYR 44 N -5.60 3.12 0.09 0.28 4.01 0.53 -4.71 117.16 114.88 1j03 n TYR 44 Ca 0.15 -2.99 -0.07 0.00 -0.16 0.00 0.00 57.90 54.83 1j03 n TYR 44 Cb 0.48 -0.99 0.06 0.00 -0.31 0.00 0.00 39.34 38.58 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 3.93 0.24 0.89 7.72 4.64 -0.87 -0.37 113.55 129.73 1j03 h SER 45 Ca 0.40 -0.17 -0.22 0.00 -0.47 0.00 0.00 61.79 61.33 1j03 h SER 45 Cb 0.39 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 1j03 h SER 45 CO 1.08 0.90 -1.17 0.00 -0.87 0.00 0.00 176.83 176.77 1j03 h MET 46 N 0.13 0.00 0.07 4.77 -0.00 -1.84 -3.31 114.93 114.75 1j03 h MET 46 Ca -0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.43 1j03 h MET 46 Cb 1.31 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.90 1j03 h MET 46 CO 0.11 0.82 -1.09 0.74 -0.00 0.00 0.00 176.91 177.50 1j03 h PHE 47 N 0.00 0.43 -1.65 -0.10 0.04 -1.82 -3.41 116.94 110.43 1j03 h PHE 47 Ca -0.09 -0.28 -0.68 0.00 2.80 0.00 0.00 57.97 59.72 1j03 h PHE 47 Cb 1.81 -0.03 0.06 0.00 2.20 0.00 0.00 35.95 39.99 1j03 h PHE 47 CO 0.00 1.17 0.34 0.00 -0.60 0.00 0.00 178.31 179.22 1j03 n ALA 48 N -2.50 -1.28 -3.71 2.45 0.00 -0.15 0.52 120.51 115.83 1j03 n ALA 48 Ca -0.06 0.51 -0.28 0.00 0.00 0.00 0.00 53.44 53.61 1j03 n ALA 48 Cb 0.93 -2.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 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 2.27 -0.47 3.49 0.00 0.00 -1.03 -4.48 105.19 104.97 1j03 n GLY 49 Ca 0.18 0.10 -0.17 0.00 0.00 0.00 0.00 46.02 46.12 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 -6.37 0.99 -0.25 1.61 1.02 0.18 -3.78 119.74 113.15 1j03 s LYS 50 Ca 0.53 0.23 -0.22 0.00 0.02 0.00 0.00 55.97 56.54 1j03 s LYS 50 Cb -0.29 0.47 -0.01 0.00 -0.52 0.00 0.00 37.83 37.47 1j03 s LYS 50 CO 0.66 -0.30 0.70 0.34 -0.92 0.00 0.00 175.35 175.82 1j03 s ASP 51 N -1.14 6.66 -0.81 2.83 -1.08 -1.26 -3.28 116.67 118.60 1j03 s ASP 51 Ca -0.11 0.81 0.02 0.00 -0.52 0.00 0.00 52.55 52.75 1j03 s ASP 51 Cb -0.01 -2.37 0.33 0.00 -1.46 0.00 0.00 42.92 39.41 1j03 s ASP 51 CO 0.09 -0.42 1.39 0.00 0.52 0.00 0.00 175.17 176.74 1j03 n ALA 52 N 5.82 5.38 0.06 3.66 0.00 -1.07 -0.35 120.51 134.01 1j03 n ALA 52 Ca 0.01 -4.66 -0.09 0.00 0.00 0.00 0.00 53.44 48.70 1j03 n ALA 52 Cb 0.48 -1.46 -0.06 0.00 0.00 0.00 0.00 19.45 18.41 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 3.61 -0.20 -0.41 0.00 0.02 -1.72 -1.29 113.55 113.55 1j03 h SER 53 Ca 0.33 -0.28 -0.14 0.00 -0.84 0.00 0.00 61.79 60.86 1j03 h SER 53 Cb 0.41 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1j03 h SER 53 CO 1.00 0.35 -0.29 0.03 -1.14 0.00 0.00 176.83 176.78 1j03 h ARG 54 N -0.94 0.92 -0.85 3.45 3.08 -1.70 0.13 114.38 118.47 1j03 h ARG 54 Ca -0.02 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1j03 h ARG 54 Cb 0.47 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 1j03 h ARG 54 CO 0.04 1.10 0.54 0.00 -1.07 0.00 0.00 179.97 180.58 1j03 h ALA 55 N 0.80 1.08 -0.02 0.04 0.00 -1.37 0.11 119.26 119.89 1j03 h ALA 55 Ca 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1j03 h ALA 55 Cb 0.88 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1j03 h ALA 55 CO 0.08 0.51 -0.03 -0.07 0.00 0.00 0.00 179.25 179.74 1j03 h LEU 56 N 1.16 0.06 0.00 0.00 3.38 -1.06 1.59 115.31 120.44 1j03 h LEU 56 Ca 0.31 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1j03 h LEU 56 Cb -0.09 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1j03 h LEU 56 CO -0.06 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.63 1j03 n GLY 57 N 0.26 -2.89 0.33 0.83 0.00 0.45 -2.15 105.19 102.02 1j03 n GLY 57 Ca -0.08 0.18 0.21 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.60 1.61 6.56 -0.94 -3.41 116.57 117.79 1j03 h LYS 58 Ca 0.00 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.50 1j03 h LYS 58 Cb 0.00 0.00 0.04 0.00 -0.57 0.00 0.00 32.23 31.70 1j03 h LYS 58 CO 0.00 0.00 -0.18 -1.33 -2.06 0.00 0.00 179.45 175.88 1j03 n MET 59 N -3.20 -1.82 -4.75 3.15 2.81 0.11 -5.05 117.12 108.37 1j03 n MET 59 Ca -0.03 0.21 -0.26 0.00 -1.81 0.00 0.00 57.70 55.81 1j03 n MET 59 Cb 0.13 -3.35 -0.14 0.00 -0.71 0.00 0.00 33.22 29.15 1j03 n MET 59 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1j03 s SER 60 N -3.22 2.53 -0.14 7.83 0.15 0.50 -4.96 113.70 116.39 1j03 s SER 60 Ca 0.07 -0.49 0.07 0.00 0.70 0.00 0.00 55.95 56.29 1j03 s SER 60 Cb -0.03 -0.23 0.44 0.00 -1.71 0.00 0.00 66.02 64.49 1j03 s SER 60 CO 0.18 0.19 1.20 2.29 1.20 0.00 0.00 173.24 178.31 1j03 n LYS 61 N 2.01 2.98 -1.68 5.44 2.85 -1.26 -4.12 118.16 124.38 1j03 n LYS 61 Ca -0.17 -1.69 -0.38 0.00 -1.05 0.00 0.00 58.31 55.02 1j03 n LYS 61 Cb 0.53 -1.89 0.05 0.00 -0.65 0.00 0.00 35.03 33.07 1j03 n LYS 61 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1j03 n ASN 62 N 0.27 1.67 0.18 -5.58 4.13 -1.26 -4.89 115.26 109.78 1j03 n ASN 62 Ca 0.16 0.89 0.06 0.00 1.68 0.00 0.00 54.58 57.37 1j03 n ASN 62 Cb 0.80 -1.48 0.18 0.00 -1.54 0.00 0.00 39.78 37.74 1j03 n ASN 62 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1j03 h GLU 63 N 0.89 0.00 0.00 3.52 5.08 -1.97 -3.08 114.58 119.02 1j03 h GLU 63 Ca -0.49 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 1j03 h GLU 63 Cb 1.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 1j03 h GLU 63 CO 0.54 0.36 -1.03 0.93 -1.00 0.00 0.00 179.01 178.80 1j03 h GLU 64 N 0.00 0.00 0.00 2.33 5.08 -1.99 -3.28 114.58 116.73 1j03 h GLU 64 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1j03 h GLU 64 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1j03 h GLU 64 CO 0.05 0.05 0.00 -0.44 -1.00 0.00 0.00 179.01 177.67 1j03 h ASP 65 N 0.00 0.00 -2.25 1.42 5.19 -1.89 -3.39 116.42 115.50 1j03 h ASP 65 Ca -0.03 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.83 1j03 h ASP 65 Cb 1.10 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.52 1j03 h ASP 65 CO 0.01 0.00 1.05 -0.69 -3.12 0.00 0.00 179.24 176.49 1j03 s VAL 66 N -3.54 3.82 -0.13 -1.35 1.01 -1.24 -1.46 120.40 117.50 1j03 s VAL 66 Ca 0.02 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.19 1j03 s VAL 66 Cb 0.09 -4.91 0.01 0.00 0.00 0.00 0.00 36.38 31.57 1j03 s VAL 66 CO 0.45 -1.82 -0.21 -0.44 0.00 0.00 0.00 175.10 173.08 1j03 s SER 67 N 3.87 3.00 0.00 3.32 0.01 0.53 -4.79 113.70 119.64 1j03 s SER 67 Ca 0.35 -0.57 0.09 0.00 1.31 0.00 0.00 55.95 57.13 1j03 s SER 67 Cb -0.08 -1.38 0.54 0.00 0.21 0.00 0.00 66.02 65.31 1j03 s SER 67 CO 0.11 0.07 1.14 -0.81 0.41 0.00 0.00 173.24 174.17 1j03 n PRO 68 N 4.08 0.75 -3.75 12.44 -0.04 -1.26 -3.88 135.00 143.34 1j03 n PRO 68 Ca -0.20 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.13 1j03 n PRO 68 Cb 0.51 -1.19 -0.10 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.53 -0.38 -0.49 3.54 1.04 -1.26 -4.07 113.70 110.56 1j03 s SER 69 Ca 0.14 0.72 -0.05 0.00 0.48 0.00 0.00 55.95 57.24 1j03 s SER 69 Cb 0.06 0.74 -0.13 0.00 0.10 0.00 0.00 66.02 66.79 1j03 s SER 69 CO 0.10 -0.13 2.51 0.00 0.98 0.00 0.00 173.24 176.71 1j03 n LEU 70 N 2.86 4.65 -3.88 2.42 -0.00 -1.26 -4.64 117.00 117.13 1j03 n LEU 70 Ca -0.13 -2.76 -0.42 0.00 -0.00 0.00 0.00 56.01 52.70 1j03 n LEU 70 Cb 0.57 -1.08 0.01 0.00 -0.00 0.00 0.00 43.42 42.92 1j03 n LEU 70 CO 0.14 1.02 1.36 -1.84 -0.00 0.00 0.00 177.39 178.07 1j03 n GLU 71 N 3.25 4.60 0.00 1.47 0.28 -1.26 -4.00 120.64 124.99 1j03 n GLU 71 Ca 0.40 -4.41 0.00 0.00 -0.16 0.00 0.00 57.16 52.99 1j03 n GLU 71 Cb 0.42 -2.56 0.00 0.00 1.43 0.00 0.00 31.44 30.74 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 1.21 0.30 3.55 -1.84 0.00 -1.26 -5.09 105.19 102.06 1j03 n GLY 72 Ca 0.34 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.91 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 2.85 0.00 0.99 7.99 -1.26 -4.94 117.00 122.64 1j03 n LEU 73 Ca 0.00 0.18 0.00 0.00 -0.01 0.00 0.00 56.01 56.18 1j03 n LEU 73 Cb 0.00 -1.48 0.00 0.00 -0.11 0.00 0.00 43.42 41.83 1j03 n LEU 73 CO 0.00 -0.79 0.00 0.35 -1.51 0.00 0.00 177.39 175.44 1j03 n THR 74 N 7.65 0.00 -0.10 -5.08 -2.24 -1.26 -4.62 114.28 108.63 1j03 n THR 74 Ca 0.34 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.99 1j03 n THR 74 Cb 0.40 -1.88 -0.04 0.00 -2.10 0.00 0.00 70.33 66.71 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 0.67 -0.38 -0.78 5.08 -1.95 1.08 114.58 118.30 1j03 h GLU 75 Ca 0.00 -0.33 0.08 0.00 -1.00 0.00 0.00 59.36 58.11 1j03 h GLU 75 Cb 0.00 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 1j03 h GLU 75 CO 0.00 0.93 -0.16 -0.22 -1.00 0.00 0.00 179.01 178.56 1j03 h LYS 76 N 0.42 -0.09 0.03 2.33 3.64 -1.97 0.44 116.57 121.37 1j03 h LYS 76 Ca 0.06 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 1j03 h LYS 76 Cb 0.77 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1j03 h LYS 76 CO 0.06 -0.06 -0.57 1.05 -2.27 0.00 0.00 179.45 177.66 1j03 h GLU 77 N -0.09 0.34 -1.02 1.90 9.09 -1.79 -1.90 114.58 121.11 1j03 h GLU 77 Ca 0.19 -0.40 0.29 0.00 0.05 0.00 0.00 59.36 59.49 1j03 h GLU 77 Cb 0.38 0.12 -0.05 0.00 -1.65 0.00 0.00 28.75 27.56 1j03 h GLU 77 CO -0.44 1.10 0.72 0.82 0.05 0.00 0.00 179.01 181.26 1j03 h ILE 78 N -0.24 0.50 0.12 -1.06 1.08 0.17 8.03 117.51 126.11 1j03 h ILE 78 Ca -0.08 -0.02 -0.23 0.00 -0.39 0.00 0.00 64.86 64.14 1j03 h ILE 78 Cb 1.32 0.45 0.01 0.00 -3.07 0.00 0.00 36.82 35.52 1j03 h ILE 78 CO 0.11 0.01 -1.14 0.78 -0.69 0.00 0.00 178.15 177.22 1j03 h ASN 79 N 0.05 0.39 -0.00 1.72 2.35 -0.09 -2.61 115.58 117.38 1j03 h ASN 79 Ca 0.49 -0.88 -0.08 0.00 -0.55 0.00 0.00 56.30 55.28 1j03 h ASN 79 Cb 1.88 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 40.13 1j03 h ASN 79 CO -0.04 1.51 -0.30 0.74 -1.65 0.00 0.00 177.43 177.69 1j03 h THR 80 N -0.38 1.53 0.38 2.81 2.02 0.36 -2.89 112.91 116.75 1j03 h THR 80 Ca -0.24 -1.97 -0.01 0.00 0.77 0.00 0.00 66.41 64.96 1j03 h THR 80 Cb 1.68 2.75 -0.01 0.00 -1.74 0.00 0.00 68.15 70.83 1j03 h THR 80 CO 0.08 0.54 -0.25 0.25 0.37 0.00 0.00 175.52 176.51 1j03 h LEU 81 N -0.45 -0.64 -0.64 2.58 5.85 1.67 0.74 115.31 124.41 1j03 h LEU 81 Ca -0.04 0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.85 1j03 h LEU 81 Cb 1.05 0.20 -0.12 0.00 0.37 0.00 0.00 40.66 42.16 1j03 h LEU 81 CO 0.06 -0.40 -0.27 0.78 -0.34 0.00 0.00 178.44 178.27 1j03 h ASN 82 N -0.62 -0.95 -0.64 1.25 -0.26 -1.49 1.25 115.58 114.12 1j03 h ASN 82 Ca -0.04 0.22 -0.05 0.00 -0.56 0.00 0.00 56.30 55.87 1j03 h ASN 82 Cb 0.52 0.52 -0.03 0.00 -1.06 0.00 0.00 38.32 38.27 1j03 h ASN 82 CO 0.03 -0.27 0.20 -0.78 -1.06 0.00 0.00 177.43 175.55 1j03 h ASP 83 N -0.09 0.95 -0.51 5.81 1.82 -1.24 -0.27 116.42 122.88 1j03 h ASP 83 Ca 0.28 -0.17 0.02 0.00 -0.39 0.00 0.00 57.03 56.77 1j03 h ASP 83 Cb 0.54 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 40.27 1j03 h ASP 83 CO -0.70 0.89 0.32 -0.50 -1.61 0.00 0.00 179.24 177.64 1j03 h TRP 84 N 0.98 0.61 -0.07 0.28 -0.00 0.62 0.34 115.95 118.70 1j03 h TRP 84 Ca 0.22 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 59.12 1j03 h TRP 84 Cb 0.28 -0.20 -0.00 0.00 -0.00 0.00 0.00 29.16 29.24 1j03 h TRP 84 CO 0.02 0.36 0.04 1.49 -0.00 0.00 0.00 178.44 180.36 1j03 h GLU 85 N 0.65 0.10 -0.25 0.49 4.81 0.19 0.55 114.58 121.12 1j03 h GLU 85 Ca 0.20 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1j03 h GLU 85 Cb -0.02 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1j03 h GLU 85 CO -0.07 0.14 0.16 1.15 -0.73 0.00 0.00 179.01 179.66 1j03 h THR 86 N 0.04 1.07 0.01 0.32 2.02 -0.58 3.12 112.91 118.91 1j03 h THR 86 Ca 0.03 -0.15 -0.27 0.00 0.77 0.00 0.00 66.41 66.78 1j03 h THR 86 Cb 0.07 0.71 0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1j03 h THR 86 CO -0.00 0.07 -1.06 0.11 0.37 0.00 0.00 175.52 175.01 1j03 h LYS 87 N 0.34 0.69 0.16 6.66 1.57 0.30 0.38 116.57 126.67 1j03 h LYS 87 Ca 0.09 -0.75 -0.30 0.00 -1.87 0.00 0.00 60.65 57.82 1j03 h LYS 87 Cb -0.02 0.22 0.03 0.00 0.08 0.00 0.00 32.23 32.54 1j03 h LYS 87 CO -0.02 1.32 -1.27 0.74 -0.57 0.00 0.00 179.45 179.66 1j03 h PHE 88 N 0.38 0.97 -0.00 -1.35 -1.00 0.11 -2.45 116.94 113.59 1j03 h PHE 88 Ca -0.13 -0.64 -0.12 0.00 2.81 0.00 0.00 57.97 59.88 1j03 h PHE 88 Cb 1.71 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 41.19 1j03 h PHE 88 CO 0.10 1.49 -0.59 1.49 -1.61 0.00 0.00 178.31 179.19 1j03 h GLU 89 N 0.18 0.01 -0.04 1.51 4.22 0.56 3.03 114.58 124.05 1j03 h GLU 89 Ca -0.20 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.23 1j03 h GLU 89 Cb 1.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.21 1j03 h GLU 89 CO 0.24 0.59 0.00 0.00 -2.18 0.00 0.00 179.01 177.66 1j03 n ALA 90 N -2.43 2.59 0.01 2.92 0.00 0.12 -4.45 120.51 119.27 1j03 n ALA 90 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1j03 n ALA 90 Cb 0.59 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.05 0.00 -2.55 0.00 5.02 -0.84 -5.00 118.16 114.74 1j03 n LYS 91 Ca 0.19 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.07 1j03 n LYS 91 Cb 0.30 -0.05 -0.04 0.00 -0.02 0.00 0.00 35.03 35.22 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 -1.14 3.59 0.21 2.13 2.02 1.01 -5.01 117.35 120.16 1j03 s TYR 92 Ca 0.00 1.56 -0.30 0.00 -0.37 0.00 0.00 57.07 57.96 1j03 s TYR 92 Cb 0.00 -3.26 -0.08 0.00 -0.40 0.00 0.00 41.96 38.22 1j03 s TYR 92 CO 0.00 -0.59 1.10 -1.25 -1.57 0.00 0.00 175.55 173.24 1j03 s PRO 93 N 0.30 4.61 -0.46 -1.71 0.04 -1.21 -4.20 135.00 132.37 1j03 s PRO 93 Ca 0.52 1.75 -0.19 0.00 0.04 0.00 0.00 61.00 63.12 1j03 s PRO 93 Cb -0.27 -3.24 0.03 0.00 0.04 0.00 0.00 34.50 31.06 1j03 s PRO 93 CO 0.31 0.12 0.58 0.54 0.04 0.00 0.00 177.00 178.60 1j03 s VAL 94 N -0.57 4.92 -2.20 -0.36 0.11 -1.26 0.28 120.40 121.31 1j03 s VAL 94 Ca 0.48 -0.22 0.22 0.00 -2.93 0.00 0.00 61.98 59.53 1j03 s VAL 94 Cb -0.30 -4.19 0.53 0.00 -1.53 0.00 0.00 36.38 30.89 1j03 s VAL 94 CO 0.37 -0.62 1.68 1.33 -3.33 0.00 0.00 175.10 174.53 1j03 n VAL 95 N 5.66 0.10 0.00 2.04 0.24 -1.14 -4.94 118.33 120.28 1j03 n VAL 95 Ca -0.05 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1j03 n VAL 95 Cb 0.47 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 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 1.02 0.88 3.18 7.63 0.00 -1.22 -3.89 105.19 112.79 1j03 n GLY 96 Ca 0.16 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.00 2.81 0.58 1.61 3.03 -1.26 0.56 118.95 124.28 1j03 s ARG 97 Ca 0.00 -0.79 -0.18 0.00 2.03 0.00 0.00 55.73 56.78 1j03 s ARG 97 Cb 0.00 -2.15 -0.08 0.00 -1.03 0.00 0.00 34.95 31.70 1j03 s ARG 97 CO 0.00 0.14 0.64 0.28 -1.13 0.00 0.00 175.30 175.24 1j03 n VAL 98 N 3.60 2.67 0.02 4.99 0.31 0.74 -3.05 118.33 127.60 1j03 n VAL 98 Ca -0.20 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.63 1j03 n VAL 98 Cb 0.53 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 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 -1.71 0.04 0.00 2.52 0.24 -1.18 -4.68 118.33 113.56 1j03 n VAL 99 Ca 0.12 0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 1j03 n VAL 99 Cb 0.47 -0.70 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 1j03 n VAL 99 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45