#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 0.58 0.04 1.61 -0.04 -1.26 -4.93 135.00 131.00 1j03 n PRO 0 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 1j03 n PRO 0 Cb 0.00 0.00 0.25 0.00 -0.04 0.00 0.00 33.50 33.71 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 0.41 -4.53 0.54 2.86 -1.94 -3.48 114.93 108.79 1j03 h MET 1 Ca 0.00 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 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 0.61 -0.95 0.39 1.06 0.00 0.00 176.91 178.02 1j03 n GLU 2 N -4.15 -5.37 -4.59 1.72 1.02 -1.26 -4.96 120.64 103.04 1j03 n GLU 2 Ca -0.00 3.82 -0.33 0.00 -0.02 0.00 0.00 57.16 60.62 1j03 n GLU 2 Cb 0.37 -4.39 -0.13 0.00 -0.02 0.00 0.00 31.44 27.27 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 -0.54 2.92 0.56 -0.32 0.40 -1.06 -4.91 117.98 115.03 1j03 s PHE 3 Ca 0.00 -0.46 -0.16 0.00 -0.60 0.00 0.00 56.93 55.72 1j03 s PHE 3 Cb 0.00 -1.90 -0.05 0.00 0.51 0.00 0.00 43.02 41.58 1j03 s PHE 3 CO 0.00 -0.11 1.02 0.95 0.70 0.00 0.00 175.22 177.78 1j03 s THR 4 N 0.33 4.19 0.52 0.64 -4.23 -1.26 -2.37 115.64 113.44 1j03 s THR 4 Ca -0.07 1.02 0.25 0.00 -1.18 0.00 0.00 61.69 61.71 1j03 s THR 4 Cb -0.15 -3.56 0.41 0.00 1.34 0.00 0.00 72.50 70.54 1j03 s THR 4 CO 0.04 -0.63 1.96 0.00 -0.54 0.00 0.00 174.62 175.46 1j03 h ALA 5 N 0.59 2.51 -0.09 3.99 0.00 -1.92 1.70 119.26 126.04 1j03 h ALA 5 Ca -0.47 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1j03 h ALA 5 Cb 1.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1j03 h ALA 5 CO 0.59 -0.69 -0.19 0.93 0.00 0.00 0.00 179.25 179.90 1j03 h GLU 6 N 0.06 0.28 -0.16 0.00 3.07 -1.97 -1.12 114.58 114.75 1j03 h GLU 6 Ca 0.30 -0.19 -0.20 0.00 -0.50 0.00 0.00 59.36 58.77 1j03 h GLU 6 Cb 1.12 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1j03 h GLU 6 CO -0.02 0.78 -0.72 1.96 -1.40 0.00 0.00 179.01 179.61 1j03 h GLN 7 N -0.18 0.70 0.00 2.33 7.50 -1.29 -2.94 115.11 121.23 1j03 h GLN 7 Ca 0.00 -0.54 -0.04 0.00 0.50 0.00 0.00 58.65 58.57 1j03 h GLN 7 Cb 0.78 0.10 -0.01 0.00 0.05 0.00 0.00 27.48 28.40 1j03 h GLN 7 CO 0.04 1.16 -0.21 1.25 -1.50 0.00 0.00 178.83 179.57 1j03 h LEU 8 N 0.49 0.00 0.00 1.46 5.85 0.24 0.51 115.31 123.86 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 1.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1j03 h LEU 8 CO 0.14 0.21 0.00 -1.54 -0.34 0.00 0.00 178.44 176.91 1j03 n SER 9 N -4.18 0.00 -1.43 1.25 3.41 -0.43 -2.47 113.62 109.78 1j03 n SER 9 Ca -0.02 -1.18 0.12 0.00 -0.26 0.00 0.00 58.87 57.52 1j03 n SER 9 Cb 0.28 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.56 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 -0.83 2.93 -2.71 4.33 6.02 0.17 -4.30 117.38 123.00 1j03 n GLN 10 Ca 0.14 -2.73 -0.07 0.00 -0.01 0.00 0.00 57.00 54.33 1j03 n GLN 10 Cb 0.06 -1.64 0.04 0.00 1.02 0.00 0.00 30.24 29.72 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 1.59 1.28 0.50 1.08 4.01 -1.03 -4.76 117.16 119.84 1j03 n TYR 11 Ca 0.25 -2.56 0.07 0.00 -0.16 0.00 0.00 57.90 55.50 1j03 n TYR 11 Cb 0.68 -0.32 0.20 0.00 -0.31 0.00 0.00 39.34 39.60 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 2.54 -1.60 7.72 6.94 -1.26 -1.66 115.26 127.67 1j03 n ASN 12 Ca 0.10 -2.05 -0.01 0.00 -0.02 0.00 0.00 54.58 52.60 1j03 n ASN 12 Cb 0.81 -0.33 -0.01 0.00 -2.36 0.00 0.00 39.78 37.90 1j03 n ASN 12 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1j03 n GLY 13 N 1.15 -3.24 0.00 4.83 0.00 -1.26 -4.10 105.19 102.56 1j03 n GLY 13 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.22 0.00 -0.68 2.61 5.66 -1.26 -1.68 114.28 119.15 1j03 n THR 14 Ca -0.05 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.93 1j03 n THR 14 Cb 0.08 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.87 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 -0.35 -0.73 -0.04 1.09 8.00 -1.26 -5.01 116.55 118.25 1j03 n ASP 15 Ca 0.00 -0.68 -0.03 0.00 0.71 0.00 0.00 54.79 54.78 1j03 n ASP 15 Cb 0.00 -0.05 -0.01 0.00 -0.02 0.00 0.00 41.12 41.04 1j03 n ASP 15 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1j03 n GLU 16 N -1.50 0.22 -0.04 -1.24 1.02 -1.26 -4.77 120.64 113.07 1j03 n GLU 16 Ca 0.01 0.13 -0.16 0.00 -0.02 0.00 0.00 57.16 57.12 1j03 n GLU 16 Cb 0.03 -0.93 -0.13 0.00 -0.02 0.00 0.00 31.44 30.38 1j03 n GLU 16 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1j03 h SER 17 N -0.42 0.14 -0.87 1.62 0.02 -2.02 -3.46 113.55 108.57 1j03 h SER 17 Ca 0.00 -0.96 -0.76 0.00 -0.84 0.00 0.00 61.79 59.23 1j03 h SER 17 Cb 0.38 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 62.89 1j03 h SER 17 CO 0.00 1.15 0.52 0.29 -1.14 0.00 0.00 176.83 177.65 1j03 n LYS 18 N -4.45 0.00 0.00 3.45 4.01 -1.26 -4.91 118.16 115.01 1j03 n LYS 18 Ca -0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.68 1j03 n LYS 18 Cb 0.60 -1.31 0.00 0.00 -0.51 0.00 0.00 35.03 33.81 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 3.17 0.18 -4.03 1.97 -0.04 -1.26 -4.67 135.00 130.32 1j03 n PRO 19 Ca 0.26 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.41 1j03 n PRO 19 Cb -0.03 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.26 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 -0.55 1.70 -0.02 0.52 1.09 -1.26 -4.31 121.20 118.38 1j03 s ILE 20 Ca 0.00 -0.86 0.05 0.00 -1.10 0.00 0.00 60.65 58.74 1j03 s ILE 20 Cb 0.00 -1.66 -0.01 0.00 -1.06 0.00 0.00 42.46 39.73 1j03 s ILE 20 CO 0.00 0.34 -0.17 -0.31 -0.10 0.00 0.00 174.94 174.70 1j03 s TYR 21 N 1.41 1.58 0.42 3.97 2.02 -0.66 -2.88 117.35 123.21 1j03 s TYR 21 Ca 0.02 -0.32 0.07 0.00 -0.37 0.00 0.00 57.07 56.47 1j03 s TYR 21 Cb -0.14 -1.03 -0.06 0.00 -0.40 0.00 0.00 41.96 40.33 1j03 s TYR 21 CO -0.10 -0.05 0.07 0.08 -1.57 0.00 0.00 175.55 173.98 1j03 s VAL 22 N -0.35 2.02 -0.02 0.71 1.01 0.39 -2.99 120.40 121.17 1j03 s VAL 22 Ca 0.05 -1.90 0.04 0.00 0.00 0.00 0.00 61.98 60.18 1j03 s VAL 22 Cb -0.07 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 1j03 s VAL 22 CO -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 175.10 174.95 1j03 s ALA 23 N -2.69 1.29 -0.22 5.51 0.00 -1.20 0.12 121.76 124.56 1j03 s ALA 23 Ca 0.34 -0.63 -0.05 0.00 0.00 0.00 0.00 51.96 51.63 1j03 s ALA 23 Cb 0.07 -0.37 0.11 0.00 0.00 0.00 0.00 23.12 22.93 1j03 s ALA 23 CO 0.18 0.28 0.40 0.42 0.00 0.00 0.00 175.76 177.04 1j03 s ILE 24 N -0.18 -0.63 0.00 0.00 1.01 -0.10 -3.32 121.20 117.98 1j03 s ILE 24 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.73 1j03 s ILE 24 Cb -0.08 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.66 1j03 s ILE 24 CO 0.00 -0.02 0.00 0.29 0.00 0.00 0.00 174.94 175.21 1j03 n LYS 25 N 5.38 -1.07 -0.14 2.79 4.76 -1.26 -1.33 118.16 127.29 1j03 n LYS 25 Ca -0.06 0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1j03 n LYS 25 Cb 0.50 -4.07 0.00 0.00 -1.84 0.00 0.00 35.03 29.62 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 -0.87 0.92 3.32 0.72 0.00 -1.26 -5.02 105.19 103.01 1j03 n GLY 26 Ca 0.00 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.62 3.34 -0.16 1.61 3.52 -0.44 0.20 118.95 126.40 1j03 s ARG 27 Ca 0.00 -0.68 -0.29 0.00 -0.13 0.00 0.00 55.73 54.63 1j03 s ARG 27 Cb 0.00 -2.78 -0.01 0.00 -1.56 0.00 0.00 34.95 30.59 1j03 s ARG 27 CO 0.00 -0.01 1.25 0.08 -0.81 0.00 0.00 175.30 175.81 1j03 s VAL 28 N 0.94 4.30 0.06 7.11 1.01 0.18 -0.92 120.40 133.08 1j03 s VAL 28 Ca -0.02 1.58 0.08 0.00 0.00 0.00 0.00 61.98 63.62 1j03 s VAL 28 Cb -0.15 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1j03 s VAL 28 CO -0.01 -0.13 -0.22 -0.36 0.00 0.00 0.00 175.10 174.39 1j03 s PHE 29 N 3.38 2.44 -0.04 5.22 0.08 0.32 -2.87 117.98 126.51 1j03 s PHE 29 Ca 0.54 -0.33 -0.15 0.00 0.12 0.00 0.00 56.93 57.12 1j03 s PHE 29 Cb -0.22 -1.41 -0.05 0.00 -0.57 0.00 0.00 43.02 40.77 1j03 s PHE 29 CO 0.15 0.22 0.39 -0.51 -0.10 0.00 0.00 175.22 175.37 1j03 s ASP 30 N -1.47 6.72 0.00 1.36 1.11 0.65 0.15 116.67 125.19 1j03 s ASP 30 Ca 0.14 0.86 0.00 0.00 0.18 0.00 0.00 52.55 53.72 1j03 s ASP 30 Cb -0.10 -2.24 0.00 0.00 1.07 0.00 0.00 42.92 41.65 1j03 s ASP 30 CO 0.04 0.26 0.56 1.33 1.18 0.00 0.00 175.17 178.55 1j03 n VAL 31 N 2.30 0.24 0.00 -1.27 0.24 -1.14 -3.38 118.33 115.32 1j03 n VAL 31 Ca -0.13 -0.26 0.23 0.00 -2.04 0.00 0.00 64.34 62.14 1j03 n VAL 31 Cb 0.52 0.99 0.72 0.00 -1.47 0.00 0.00 33.84 34.61 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 1.93 0.41 0.00 3.34 1.03 -1.92 0.41 112.91 118.10 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 0.78 0.59 0.00 0.00 -1.07 0.00 0.00 68.15 68.45 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 -3.84 1.53 -2.71 0.00 -2.24 -1.26 -1.67 114.28 104.09 1j03 n THR 33 Ca 0.11 0.46 -0.05 0.00 -2.27 0.00 0.00 64.05 62.31 1j03 n THR 33 Cb 0.76 -1.46 0.09 0.00 -2.10 0.00 0.00 70.33 67.61 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 -1.38 1.65 0.38 3.38 0.00 0.14 -4.92 105.19 104.44 1j03 n GLY 34 Ca 0.00 -0.57 0.18 0.00 0.00 0.00 0.00 46.02 45.62 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 2.07 0.00 0.00 1.61 2.10 -1.27 0.89 116.57 121.96 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 0.07 0.00 0.10 1.03 -2.00 0.00 0.00 179.45 178.65 1j03 h SER 36 N 0.00 0.00 0.00 7.07 0.87 -1.90 4.30 113.55 123.89 1j03 h SER 36 Ca 0.14 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.43 1j03 h SER 36 Cb 1.24 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.16 1j03 h SER 36 CO -0.00 0.00 -1.94 0.49 -0.53 0.00 0.00 176.83 174.85 1j03 n PHE 37 N -2.82 0.00 0.01 2.24 3.01 0.30 -4.24 117.46 115.96 1j03 n PHE 37 Ca -0.02 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.24 1j03 n PHE 37 Cb 0.16 -0.62 -0.14 0.00 -0.01 0.00 0.00 39.48 38.87 1j03 n PHE 37 CO 0.00 0.00 0.00 1.88 1.01 0.00 0.00 176.76 179.65 1j03 h TYR 38 N -0.37 0.43 -1.59 1.38 0.05 -1.20 2.66 116.97 118.34 1j03 h TYR 38 Ca -0.41 -0.32 -0.37 0.00 0.05 0.00 0.00 58.73 57.69 1j03 h TYR 38 Cb 1.45 -0.02 0.20 0.00 1.01 0.00 0.00 36.73 39.37 1j03 h TYR 38 CO -0.03 1.66 -1.44 0.41 -1.05 0.00 0.00 178.16 177.71 1j03 n GLY 39 N 1.91 -2.51 3.07 3.88 0.00 1.41 -4.35 105.19 108.60 1j03 n GLY 39 Ca -0.29 -0.45 -0.48 0.00 0.00 0.00 0.00 46.02 44.80 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 0.89 -0.44 -3.19 1.61 2.88 -0.68 -2.52 113.62 112.18 1j03 n SER 40 Ca 0.00 1.02 -0.30 0.00 -1.33 0.00 0.00 58.87 58.26 1j03 n SER 40 Cb 0.55 -0.83 0.03 0.00 -0.75 0.00 0.00 64.21 63.22 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 1.50 0.15 3.46 0.46 0.00 -1.26 -4.97 105.19 104.53 1j03 n GLY 41 Ca 0.17 0.87 -0.16 0.00 0.00 0.00 0.00 46.02 46.91 1j03 n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j03 s GLY 42 N -1.23 1.65 0.26 -0.02 0.00 -1.05 -4.95 107.32 101.99 1j03 s GLY 42 Ca 0.29 -1.62 -0.12 0.00 0.00 0.00 0.00 44.72 43.28 1j03 s GLY 42 CO 0.66 -1.07 1.56 -0.55 0.00 0.00 0.00 173.10 173.69 1j03 h ASP 43 N 2.10 -1.12 -2.27 1.64 5.19 0.36 0.13 116.42 122.46 1j03 h ASP 43 Ca -0.28 0.30 -0.75 0.00 -0.62 0.00 0.00 57.03 55.69 1j03 h ASP 43 Cb 1.24 0.67 -0.31 0.00 0.18 0.00 0.00 39.33 41.11 1j03 h ASP 43 CO 0.38 -0.31 0.58 -1.22 -3.12 0.00 0.00 179.24 175.55 1j03 n TYR 44 N -5.57 3.12 0.08 4.55 4.01 0.57 -4.71 117.16 119.21 1j03 n TYR 44 Ca 0.14 -2.95 -0.08 0.00 -0.16 0.00 0.00 57.90 54.85 1j03 n TYR 44 Cb 0.46 -1.01 0.04 0.00 -0.31 0.00 0.00 39.34 38.53 1j03 n TYR 44 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1j03 h SER 45 N 3.89 0.30 0.81 7.72 0.87 -0.85 -1.06 113.55 125.24 1j03 h SER 45 Ca 0.43 -0.21 -0.24 0.00 -1.23 0.00 0.00 61.79 60.53 1j03 h SER 45 Cb 0.37 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 1j03 h SER 45 CO 1.08 0.95 -1.22 0.00 -0.53 0.00 0.00 176.83 177.11 1j03 h MET 46 N 0.16 0.04 -0.01 2.24 -0.00 -1.84 -3.30 114.93 112.22 1j03 h MET 46 Ca -0.03 -0.07 -0.20 0.00 -0.00 0.00 0.00 59.70 59.40 1j03 h MET 46 Cb 1.33 0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 32.95 1j03 h MET 46 CO 0.12 0.91 -0.87 0.74 -0.00 0.00 0.00 176.91 177.81 1j03 h PHE 47 N 0.01 0.41 -1.78 -0.10 0.04 -1.85 -3.42 116.94 110.25 1j03 h PHE 47 Ca -0.10 -0.21 -0.67 0.00 2.80 0.00 0.00 57.97 59.78 1j03 h PHE 47 Cb 1.86 -0.05 0.04 0.00 2.20 0.00 0.00 35.95 40.00 1j03 h PHE 47 CO 0.01 1.02 0.70 0.00 -0.60 0.00 0.00 178.31 179.43 1j03 n ALA 48 N -2.49 -0.18 -2.66 2.45 0.00 -0.41 0.53 120.51 117.75 1j03 n ALA 48 Ca -0.04 0.45 -0.20 0.00 0.00 0.00 0.00 53.44 53.65 1j03 n ALA 48 Cb 0.79 -2.21 0.01 0.00 0.00 0.00 0.00 19.45 18.05 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 3.32 -0.40 3.46 0.00 0.00 -1.16 -4.50 105.19 105.90 1j03 n GLY 49 Ca 0.21 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 -5.27 1.09 -1.12 1.61 1.02 0.19 -4.04 119.74 113.21 1j03 s LYS 50 Ca 0.14 -0.04 -0.16 0.00 0.02 0.00 0.00 55.97 55.93 1j03 s LYS 50 Cb -0.06 0.51 0.14 0.00 -0.52 0.00 0.00 37.83 37.90 1j03 s LYS 50 CO 0.18 -0.39 1.37 0.34 -0.92 0.00 0.00 175.35 175.93 1j03 s ASP 51 N -1.74 6.88 -0.62 2.83 -1.08 -1.26 -3.26 116.67 118.42 1j03 s ASP 51 Ca -0.07 -2.57 -0.07 0.00 -0.52 0.00 0.00 52.55 49.32 1j03 s ASP 51 Cb -0.01 -2.43 -0.18 0.00 -1.46 0.00 0.00 42.92 38.85 1j03 s ASP 51 CO 0.02 -0.93 3.14 0.00 0.52 0.00 0.00 175.17 177.92 1j03 n ALA 52 N 6.37 6.41 -0.04 3.66 0.00 -1.21 0.47 120.51 136.17 1j03 n ALA 52 Ca 0.34 -2.33 -0.14 0.00 0.00 0.00 0.00 53.44 51.30 1j03 n ALA 52 Cb 0.45 -2.73 -0.11 0.00 0.00 0.00 0.00 19.45 17.06 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 4.07 0.09 -0.35 0.00 0.02 -1.75 -2.16 113.55 113.49 1j03 h SER 53 Ca 0.44 -0.73 -0.04 0.00 -0.84 0.00 0.00 61.79 60.63 1j03 h SER 53 Cb 0.92 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 1j03 h SER 53 CO 0.87 0.81 0.08 0.03 -1.14 0.00 0.00 176.83 177.47 1j03 h ARG 54 N -0.61 0.56 -0.22 3.45 3.08 -1.76 -0.50 114.38 118.38 1j03 h ARG 54 Ca -0.01 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 59.91 1j03 h ARG 54 Cb 0.81 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1j03 h ARG 54 CO 0.02 0.61 0.15 0.00 -1.07 0.00 0.00 179.97 179.68 1j03 h ALA 55 N 0.92 1.89 -0.11 0.04 0.00 -1.72 -1.48 119.26 118.79 1j03 h ALA 55 Ca 0.11 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1j03 h ALA 55 Cb 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1j03 h ALA 55 CO 0.00 0.09 -0.21 -0.07 0.00 0.00 0.00 179.25 179.07 1j03 h LEU 56 N 0.26 0.37 0.00 0.00 3.38 -0.78 1.01 115.31 119.55 1j03 h LEU 56 Ca 0.08 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1j03 h LEU 56 Cb 0.02 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1j03 h LEU 56 CO -0.02 0.85 0.00 0.61 0.09 0.00 0.00 178.44 179.98 1j03 n GLY 57 N 0.41 -3.03 0.24 0.83 0.00 -0.25 -2.10 105.19 101.28 1j03 n GLY 57 Ca -0.07 0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.63 1.61 6.56 -1.53 -3.42 116.57 117.17 1j03 h LYS 58 Ca 0.00 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.43 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 -0.26 -1.33 -2.06 0.00 0.00 179.45 175.80 1j03 n MET 59 N -2.53 -2.75 -4.32 3.15 2.81 0.09 -5.03 117.12 108.53 1j03 n MET 59 Ca -0.02 0.35 -0.32 0.00 -1.81 0.00 0.00 57.70 55.89 1j03 n MET 59 Cb 0.17 -3.95 -0.09 0.00 -0.71 0.00 0.00 33.22 28.63 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 -3.04 5.00 -0.13 7.83 0.15 0.33 -4.96 113.70 118.89 1j03 s SER 60 Ca 0.19 -0.04 0.08 0.00 0.70 0.00 0.00 55.95 56.88 1j03 s SER 60 Cb -0.09 -1.27 0.46 0.00 -1.71 0.00 0.00 66.02 63.41 1j03 s SER 60 CO 0.24 0.28 1.20 0.29 1.20 0.00 0.00 173.24 176.45 1j03 n LYS 61 N 1.44 3.17 -1.91 5.44 5.02 -1.26 -4.35 118.16 125.70 1j03 n LYS 61 Ca -0.15 -1.76 -0.42 0.00 -2.02 0.00 0.00 58.31 53.96 1j03 n LYS 61 Cb 0.53 -1.92 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 1j03 n LYS 61 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1j03 s ASN 62 N -0.45 6.54 0.46 4.39 -0.87 -1.26 -4.87 114.94 118.88 1j03 s ASN 62 Ca 0.31 2.72 0.28 0.00 -1.57 0.00 0.00 52.86 54.59 1j03 s ASN 62 Cb 0.23 -2.61 0.83 0.00 -0.02 0.00 0.00 41.25 39.68 1j03 s ASN 62 CO 0.09 -0.82 1.78 -0.08 -2.57 0.00 0.00 177.10 175.50 1j03 h GLU 63 N 5.98 0.00 0.00 -0.60 4.81 -1.93 -2.87 114.58 119.97 1j03 h GLU 63 Ca -0.44 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.74 1j03 h GLU 63 Cb 1.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1j03 h GLU 63 CO 0.86 0.00 -1.12 0.93 -0.73 0.00 0.00 179.01 178.95 1j03 h GLU 64 N 0.00 0.00 -0.11 1.92 3.07 -1.97 -3.35 114.58 114.14 1j03 h GLU 64 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1j03 h GLU 64 Cb 0.74 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1j03 h GLU 64 CO 0.00 0.09 -0.02 -0.44 -1.40 0.00 0.00 179.01 177.24 1j03 h ASP 65 N 0.00 0.21 -1.72 1.42 5.19 -1.89 -3.43 116.42 116.19 1j03 h ASP 65 Ca -0.05 -0.35 -0.69 0.00 -0.62 0.00 0.00 57.03 55.33 1j03 h ASP 65 Cb 1.17 -0.06 0.03 0.00 0.18 0.00 0.00 39.33 40.66 1j03 h ASP 65 CO 0.01 0.51 0.77 0.55 -3.12 0.00 0.00 179.24 177.96 1j03 n VAL 66 N -4.77 0.21 -3.75 -1.35 3.14 -1.20 -4.17 118.33 106.43 1j03 n VAL 66 Ca -0.06 -0.04 -0.13 0.00 -2.96 0.00 0.00 64.34 61.15 1j03 n VAL 66 Cb 0.23 -1.20 -0.14 0.00 -1.06 0.00 0.00 33.84 31.67 1j03 n VAL 66 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1j03 s SER 67 N 2.33 -0.17 0.00 6.55 1.04 0.18 -4.86 113.70 118.76 1j03 s SER 67 Ca 0.91 0.38 0.07 0.00 0.48 0.00 0.00 55.95 57.79 1j03 s SER 67 Cb -0.94 0.29 0.40 0.00 0.10 0.00 0.00 66.02 65.87 1j03 s SER 67 CO 0.55 -0.14 1.04 -0.81 0.98 0.00 0.00 173.24 174.87 1j03 n PRO 68 N 3.96 0.75 -3.40 4.02 -0.04 -1.25 -4.17 135.00 134.86 1j03 n PRO 68 Ca -0.23 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.10 1j03 n PRO 68 Cb 0.54 -1.14 -0.10 0.00 -0.04 0.00 0.00 33.50 32.76 1j03 n PRO 68 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j03 s SER 69 N -1.46 0.76 0.21 3.54 0.15 -1.26 -4.61 113.70 111.03 1j03 s SER 69 Ca 0.10 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1j03 s SER 69 Cb 0.05 0.81 0.50 0.00 -1.71 0.00 0.00 66.02 65.67 1j03 s SER 69 CO 0.08 -0.32 1.09 0.00 1.20 0.00 0.00 173.24 175.29 1j03 n LEU 70 N 5.34 -0.11 0.00 3.45 -0.00 -1.26 -4.52 117.00 119.90 1j03 n LEU 70 Ca -0.04 1.19 0.00 0.00 -0.00 0.00 0.00 56.01 57.16 1j03 n LEU 70 Cb 0.50 -0.42 0.00 0.00 -0.00 0.00 0.00 43.42 43.49 1j03 n LEU 70 CO 0.06 -1.20 0.00 -0.62 -0.00 0.00 0.00 177.39 175.63 1j03 n GLU 71 N -4.98 0.00 0.00 1.47 -0.58 -1.26 0.17 120.64 115.46 1j03 n GLU 71 Ca 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 1j03 n GLU 71 Cb 0.51 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.38 1j03 n GLU 71 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j03 n GLY 72 N 0.00 3.41 3.42 0.62 0.00 -1.26 -5.08 105.19 106.30 1j03 n GLY 72 Ca 0.00 -0.64 -0.60 0.00 0.00 0.00 0.00 46.02 44.78 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 1.23 0.00 0.99 4.32 0.44 -4.90 117.00 119.09 1j03 n LEU 73 Ca 0.00 0.77 -0.02 0.00 -0.02 0.00 0.00 56.01 56.74 1j03 n LEU 73 Cb 0.00 -0.98 0.01 0.00 -1.62 0.00 0.00 43.42 40.83 1j03 n LEU 73 CO 0.00 -0.74 0.04 0.35 -1.22 0.00 0.00 177.39 175.82 1j03 n THR 74 N 5.96 0.00 -0.07 -5.08 -2.24 -1.26 -4.60 114.28 106.98 1j03 n THR 74 Ca 0.45 -0.04 -0.14 0.00 -2.27 0.00 0.00 64.05 62.05 1j03 n THR 74 Cb 0.02 -1.41 -0.05 0.00 -2.10 0.00 0.00 70.33 66.79 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 0.61 -0.32 -0.78 5.08 -1.96 0.84 114.58 118.05 1j03 h GLU 75 Ca -0.03 -0.35 0.07 0.00 -1.00 0.00 0.00 59.36 58.05 1j03 h GLU 75 Cb 0.07 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 1j03 h GLU 75 CO 0.02 0.96 -0.16 -0.22 -1.00 0.00 0.00 179.01 178.61 1j03 h LYS 76 N 0.31 -0.10 -0.04 2.33 3.64 -1.98 0.23 116.57 120.96 1j03 h LYS 76 Ca 0.03 0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.22 1j03 h LYS 76 Cb 0.88 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1j03 h LYS 76 CO 0.07 -0.07 -0.75 1.05 -2.27 0.00 0.00 179.45 177.48 1j03 h GLU 77 N -0.11 0.57 -0.77 1.90 9.09 -1.81 -2.08 114.58 121.38 1j03 h GLU 77 Ca 0.16 -0.57 0.22 0.00 0.05 0.00 0.00 59.36 59.23 1j03 h GLU 77 Cb 0.36 0.15 -0.03 0.00 -1.65 0.00 0.00 28.75 27.58 1j03 h GLU 77 CO -0.39 1.19 0.60 0.82 0.05 0.00 0.00 179.01 181.28 1j03 h ILE 78 N 0.18 0.50 0.08 -1.06 1.08 0.13 7.20 117.51 125.63 1j03 h ILE 78 Ca -0.08 0.00 -0.21 0.00 -0.39 0.00 0.00 64.86 64.18 1j03 h ILE 78 Cb 1.42 0.57 -0.00 0.00 -3.07 0.00 0.00 36.82 35.74 1j03 h ILE 78 CO 0.15 0.00 -1.07 0.78 -0.69 0.00 0.00 178.15 177.32 1j03 h ASN 79 N 0.00 0.27 -0.02 1.72 2.35 -0.46 -2.80 115.58 116.64 1j03 h ASN 79 Ca 0.36 -0.84 -0.08 0.00 -0.55 0.00 0.00 56.30 55.20 1j03 h ASN 79 Cb 1.56 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 39.85 1j03 h ASN 79 CO -0.00 1.46 -0.29 0.74 -1.65 0.00 0.00 177.43 177.69 1j03 h THR 80 N -0.54 1.50 0.18 2.81 2.02 -0.03 -2.77 112.91 116.09 1j03 h THR 80 Ca -0.24 -1.88 0.01 0.00 0.77 0.00 0.00 66.41 65.07 1j03 h THR 80 Cb 1.55 2.63 -0.02 0.00 -1.74 0.00 0.00 68.15 70.57 1j03 h THR 80 CO 0.02 0.52 -0.21 0.25 0.37 0.00 0.00 175.52 176.48 1j03 h LEU 81 N -0.39 -0.56 -0.23 2.58 7.12 1.48 0.92 115.31 126.24 1j03 h LEU 81 Ca -0.03 0.06 0.04 0.00 0.13 0.00 0.00 57.88 58.07 1j03 h LEU 81 Cb 1.01 0.20 -0.07 0.00 -0.53 0.00 0.00 40.66 41.27 1j03 h LEU 81 CO 0.06 -0.30 -0.54 0.78 -0.13 0.00 0.00 178.44 178.31 1j03 h ASN 82 N -0.43 -1.74 -0.67 1.25 -0.26 -1.53 0.83 115.58 113.03 1j03 h ASN 82 Ca 0.01 0.22 0.05 0.00 -0.56 0.00 0.00 56.30 56.02 1j03 h ASN 82 Cb 0.41 0.69 -0.04 0.00 -1.06 0.00 0.00 38.32 38.33 1j03 h ASN 82 CO -0.07 -0.46 0.44 -0.78 -1.06 0.00 0.00 177.43 175.51 1j03 h ASP 83 N -0.52 0.63 -0.33 5.81 3.58 -1.23 -0.30 116.42 124.06 1j03 h ASP 83 Ca 0.05 -0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.51 1j03 h ASP 83 Cb 0.65 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 1j03 h ASP 83 CO -0.49 0.42 0.18 -0.50 -2.88 0.00 0.00 179.24 175.97 1j03 h TRP 84 N 0.72 0.35 -0.24 0.28 -0.00 0.46 0.55 115.95 118.07 1j03 h TRP 84 Ca 0.28 0.01 0.02 0.00 -0.00 0.00 0.00 58.89 59.20 1j03 h TRP 84 Cb 0.19 -0.11 -0.02 0.00 -0.00 0.00 0.00 29.16 29.22 1j03 h TRP 84 CO -0.00 0.20 0.10 1.49 -0.00 0.00 0.00 178.44 180.23 1j03 h GLU 85 N 0.38 0.21 -0.23 0.49 4.22 0.21 1.57 114.58 121.43 1j03 h GLU 85 Ca 0.13 -0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.51 1j03 h GLU 85 Cb 0.01 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1j03 h GLU 85 CO -0.07 0.14 -0.05 1.15 -2.18 0.00 0.00 179.01 178.01 1j03 h THR 86 N 0.22 1.17 0.03 0.32 2.02 -0.71 1.70 112.91 117.65 1j03 h THR 86 Ca 0.10 -0.69 -0.16 0.00 0.77 0.00 0.00 66.41 66.43 1j03 h THR 86 Cb 0.05 1.05 0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1j03 h THR 86 CO -0.09 0.23 -0.64 0.11 0.37 0.00 0.00 175.52 175.50 1j03 h LYS 87 N 0.33 0.39 -0.21 6.66 1.57 0.11 -1.07 116.57 124.35 1j03 h LYS 87 Ca 0.07 -0.45 -0.13 0.00 -1.87 0.00 0.00 60.65 58.28 1j03 h LYS 87 Cb 0.30 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1j03 h LYS 87 CO 0.01 1.13 -0.36 0.74 -0.57 0.00 0.00 179.45 180.40 1j03 h PHE 88 N -0.16 0.77 0.00 -1.35 -1.00 0.26 0.77 116.94 116.23 1j03 h PHE 88 Ca -0.09 -0.27 0.00 0.00 2.81 0.00 0.00 57.97 60.42 1j03 h PHE 88 Cb 1.38 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.79 1j03 h PHE 88 CO 0.16 1.01 0.00 1.05 -1.61 0.00 0.00 178.31 178.92 1j03 h GLU 89 N 0.31 0.00 0.00 1.51 -0.00 0.24 2.24 114.58 118.88 1j03 h GLU 89 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.38 1j03 h GLU 89 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.70 1j03 h GLU 89 CO 0.08 0.00 -1.33 0.00 -0.00 0.00 0.00 179.01 177.76 1j03 n ALA 90 N -2.02 3.91 -0.07 1.06 0.00 -0.40 -4.59 120.51 118.40 1j03 n ALA 90 Ca 0.02 -0.54 -0.11 0.00 0.00 0.00 0.00 53.44 52.81 1j03 n ALA 90 Cb 0.33 -0.72 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.76 0.40 -3.21 0.00 4.76 0.27 -5.00 118.16 113.62 1j03 n LYS 91 Ca 0.01 0.16 -0.37 0.00 -2.87 0.00 0.00 58.31 55.24 1j03 n LYS 91 Cb 0.40 -1.19 -0.06 0.00 -1.84 0.00 0.00 35.03 32.34 1j03 n LYS 91 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1j03 s TYR 92 N -2.58 3.72 0.10 2.13 2.02 0.75 -5.03 117.35 118.46 1j03 s TYR 92 Ca -0.23 1.30 -0.30 0.00 -0.37 0.00 0.00 57.07 57.46 1j03 s TYR 92 Cb 0.05 -2.54 -0.06 0.00 -0.40 0.00 0.00 41.96 39.02 1j03 s TYR 92 CO 0.33 0.47 1.15 -1.25 -1.57 0.00 0.00 175.55 174.67 1j03 s PRO 93 N -1.58 4.49 -0.47 -1.71 0.04 -1.22 -4.31 135.00 130.25 1j03 s PRO 93 Ca 0.36 1.73 -0.19 0.00 0.04 0.00 0.00 61.00 62.95 1j03 s PRO 93 Cb -0.18 -3.33 0.04 0.00 0.04 0.00 0.00 34.50 31.07 1j03 s PRO 93 CO 0.20 -0.13 0.56 0.54 0.04 0.00 0.00 177.00 178.21 1j03 s VAL 94 N 0.59 4.95 -2.07 -0.36 0.11 -1.26 0.24 120.40 122.61 1j03 s VAL 94 Ca 0.55 -0.38 0.24 0.00 -2.93 0.00 0.00 61.98 59.45 1j03 s VAL 94 Cb -0.29 -4.20 0.64 0.00 -1.53 0.00 0.00 36.38 31.00 1j03 s VAL 94 CO 0.31 -0.64 1.85 1.33 -3.33 0.00 0.00 175.10 174.62 1j03 n VAL 95 N 5.58 0.02 0.00 2.04 0.24 -1.14 -4.94 118.33 120.14 1j03 n VAL 95 Ca -0.06 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1j03 n VAL 95 Cb 0.46 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 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 0.92 0.06 3.48 7.63 0.00 -1.23 -4.15 105.19 111.91 1j03 n GLY 96 Ca 0.18 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.86 2.51 1.04 1.61 1.04 -1.26 0.51 118.95 122.54 1j03 s ARG 97 Ca 0.00 -0.69 -0.18 0.00 -1.04 0.00 0.00 55.73 53.83 1j03 s ARG 97 Cb 0.00 -2.39 0.02 0.00 -2.04 0.00 0.00 34.95 30.54 1j03 s ARG 97 CO 0.00 0.63 -0.12 0.28 -0.04 0.00 0.00 175.30 176.05 1j03 n VAL 98 N 2.29 0.00 0.00 4.99 0.31 0.55 -2.55 118.33 123.92 1j03 n VAL 98 Ca -0.17 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1j03 n VAL 98 Cb 0.52 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 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 -3.87 0.00 -0.62 2.52 0.24 -1.00 -4.70 118.33 110.90 1j03 n VAL 99 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1j03 n VAL 99 Cb 0.60 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 1j03 n VAL 99 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45