#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 0.65 -0.02 1.61 -0.04 -1.26 -4.93 135.00 131.01 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 0.23 0.00 -0.04 0.00 0.00 33.50 33.69 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 0.58 -4.40 0.54 2.86 -1.94 -3.47 114.93 109.10 1j03 h MET 1 Ca 0.00 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1j03 h MET 1 Cb 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1j03 h MET 1 CO 0.00 0.67 -0.92 0.39 1.06 0.00 0.00 176.91 178.11 1j03 n GLU 2 N -4.21 -5.39 -4.50 1.72 1.02 -1.26 -4.91 120.64 103.11 1j03 n GLU 2 Ca 0.01 3.80 -0.33 0.00 -0.02 0.00 0.00 57.16 60.62 1j03 n GLU 2 Cb 0.32 -4.18 -0.13 0.00 -0.02 0.00 0.00 31.44 27.43 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 -0.50 2.97 0.53 -0.32 0.40 -1.04 -4.84 117.98 115.17 1j03 s PHE 3 Ca 0.00 -0.38 -0.16 0.00 -0.60 0.00 0.00 56.93 55.78 1j03 s PHE 3 Cb 0.00 -1.93 -0.07 0.00 0.51 0.00 0.00 43.02 41.53 1j03 s PHE 3 CO 0.00 -0.08 1.00 0.95 0.70 0.00 0.00 175.22 177.79 1j03 s THR 4 N 0.35 4.46 0.49 0.64 -4.23 -1.26 -2.75 115.64 113.33 1j03 s THR 4 Ca -0.06 1.16 0.25 0.00 -1.18 0.00 0.00 61.69 61.86 1j03 s THR 4 Cb -0.15 -3.69 0.42 0.00 1.34 0.00 0.00 72.50 70.43 1j03 s THR 4 CO 0.04 -0.69 1.91 0.00 -0.54 0.00 0.00 174.62 175.35 1j03 h ALA 5 N 0.82 2.51 -0.09 3.99 0.00 -1.90 2.25 119.26 126.83 1j03 h ALA 5 Ca -0.47 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1j03 h ALA 5 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1j03 h ALA 5 CO 0.61 -0.74 -0.24 1.49 0.00 0.00 0.00 179.25 180.38 1j03 h GLU 6 N 0.15 0.31 -0.13 0.00 4.81 -1.92 -1.42 114.58 116.38 1j03 h GLU 6 Ca 0.38 -0.22 -0.21 0.00 -0.13 0.00 0.00 59.36 59.18 1j03 h GLU 6 Cb 1.28 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1j03 h GLU 6 CO -0.06 0.83 -0.76 1.96 -0.73 0.00 0.00 179.01 180.26 1j03 h GLN 7 N -0.16 0.67 -0.62 1.92 7.50 -1.17 -3.16 115.11 120.08 1j03 h GLN 7 Ca -0.00 -0.54 -0.00 0.00 0.50 0.00 0.00 58.65 58.60 1j03 h GLN 7 Cb 0.85 0.11 -0.03 0.00 0.05 0.00 0.00 27.48 28.46 1j03 h GLN 7 CO 0.05 1.16 0.38 1.25 -1.50 0.00 0.00 178.83 180.17 1j03 h LEU 8 N 0.46 0.75 -1.07 1.46 7.12 0.36 0.50 115.31 124.88 1j03 h LEU 8 Ca -0.04 -0.06 0.00 0.00 0.13 0.00 0.00 57.88 57.91 1j03 h LEU 8 Cb 1.37 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.31 1j03 h LEU 8 CO 0.15 0.58 0.09 -0.24 -0.13 0.00 0.00 178.44 178.88 1j03 n SER 9 N -4.61 0.42 -0.81 1.25 2.88 -0.54 0.17 113.62 112.38 1j03 n SER 9 Ca 0.05 0.66 0.03 0.00 -1.33 0.00 0.00 58.87 58.28 1j03 n SER 9 Cb 0.05 -0.69 0.13 0.00 -0.75 0.00 0.00 64.21 62.96 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 -2.08 2.10 -2.90 -1.46 6.02 0.17 -3.97 117.38 115.26 1j03 n GLN 10 Ca -0.01 -1.05 -0.13 0.00 -0.01 0.00 0.00 57.00 55.80 1j03 n GLN 10 Cb 0.11 -1.56 0.03 0.00 1.02 0.00 0.00 30.24 29.84 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 0.24 -0.66 -1.17 1.08 4.01 0.13 -4.70 117.16 116.09 1j03 n TYR 11 Ca 0.09 -2.96 0.09 0.00 -0.16 0.00 0.00 57.90 54.97 1j03 n TYR 11 Cb 0.45 0.33 0.14 0.00 -0.31 0.00 0.00 39.34 39.95 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 0.12 2.19 -1.40 7.72 0.23 -1.25 -0.75 115.26 122.11 1j03 n ASN 12 Ca 0.14 -3.14 0.00 0.00 -0.53 0.00 0.00 54.58 51.05 1j03 n ASN 12 Cb 0.73 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 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 -1.34 -1.30 1.85 4.83 0.00 -1.26 -4.56 105.19 103.41 1j03 n GLY 13 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1j03 n GLY 13 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j03 n THR 14 N -0.31 0.14 -0.20 2.61 -2.24 -1.26 -4.40 114.28 108.62 1j03 n THR 14 Ca 0.00 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1j03 n THR 14 Cb 0.00 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 1j03 n THR 14 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1j03 n ASP 15 N -3.20 -0.00 -0.12 3.42 2.03 -1.26 -5.05 116.55 112.36 1j03 n ASP 15 Ca 0.00 -0.20 -0.21 0.00 0.52 0.00 0.00 54.79 54.90 1j03 n ASP 15 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 1j03 n ASP 15 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1j03 n GLU 16 N -0.20 0.56 0.08 -0.67 1.02 -1.26 -4.62 120.64 115.55 1j03 n GLU 16 Ca 0.00 0.27 -0.22 0.00 -0.02 0.00 0.00 57.16 57.19 1j03 n GLU 16 Cb 0.00 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 29.81 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 -1.00 0.88 -0.72 1.62 0.02 -2.03 -3.45 113.55 108.87 1j03 h SER 17 Ca -0.40 -0.81 -0.84 0.00 -0.84 0.00 0.00 61.79 58.90 1j03 h SER 17 Cb 1.34 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1j03 h SER 17 CO -0.24 1.60 0.91 0.29 -1.14 0.00 0.00 176.83 178.24 1j03 n LYS 18 N -3.82 0.07 -1.52 3.45 4.76 -1.26 -4.89 118.16 114.95 1j03 n LYS 18 Ca -0.13 0.02 -0.30 0.00 -2.87 0.00 0.00 58.31 55.03 1j03 n LYS 18 Cb 0.97 -1.54 0.20 0.00 -1.84 0.00 0.00 35.03 32.81 1j03 n LYS 18 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1j03 s PRO 19 N 4.01 -0.03 -0.16 1.97 0.04 -1.26 -4.72 135.00 134.85 1j03 s PRO 19 Ca 1.09 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1j03 s PRO 19 Cb -1.47 -1.74 -0.00 0.00 0.04 0.00 0.00 34.50 31.33 1j03 s PRO 19 CO 0.76 -2.90 -0.15 0.42 0.04 0.00 0.00 177.00 175.16 1j03 s ILE 20 N -3.43 2.65 -0.03 0.56 1.09 -1.26 -4.16 121.20 116.62 1j03 s ILE 20 Ca 0.71 -0.77 0.04 0.00 -1.10 0.00 0.00 60.65 59.52 1j03 s ILE 20 Cb -0.08 -2.12 -0.00 0.00 -1.06 0.00 0.00 42.46 39.20 1j03 s ILE 20 CO 0.54 0.51 -0.13 -0.31 -0.10 0.00 0.00 174.94 175.45 1j03 s TYR 21 N 0.85 1.30 0.10 3.97 2.02 0.07 -2.73 117.35 122.92 1j03 s TYR 21 Ca -0.05 -0.32 0.08 0.00 -0.37 0.00 0.00 57.07 56.41 1j03 s TYR 21 Cb -0.15 -0.88 -0.04 0.00 -0.40 0.00 0.00 41.96 40.49 1j03 s TYR 21 CO -0.01 -0.10 -0.15 0.08 -1.57 0.00 0.00 175.55 173.80 1j03 s VAL 22 N 0.01 3.04 -0.10 0.71 1.01 0.14 -2.68 120.40 122.53 1j03 s VAL 22 Ca -0.01 -1.35 -0.01 0.00 0.00 0.00 0.00 61.98 60.60 1j03 s VAL 22 Cb -0.09 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1j03 s VAL 22 CO 0.01 0.15 -0.05 0.00 0.00 0.00 0.00 175.10 175.21 1j03 s ALA 23 N -1.13 3.02 -0.22 5.51 0.00 -1.24 0.22 121.76 127.93 1j03 s ALA 23 Ca 0.19 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 1j03 s ALA 23 Cb -0.11 -1.38 0.12 0.00 0.00 0.00 0.00 23.12 21.74 1j03 s ALA 23 CO 0.10 0.44 0.35 0.42 0.00 0.00 0.00 175.76 177.07 1j03 s ILE 24 N -0.36 -0.55 -0.14 0.00 1.01 0.73 -3.31 121.20 118.58 1j03 s ILE 24 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1j03 s ILE 24 Cb -0.12 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.61 1j03 s ILE 24 CO 0.02 -0.09 0.00 0.29 0.00 0.00 0.00 174.94 175.16 1j03 n LYS 25 N 5.36 -0.81 -0.12 2.79 4.76 -1.26 -1.72 118.16 127.16 1j03 n LYS 25 Ca -0.05 0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 1j03 n LYS 25 Cb 0.50 -3.97 0.00 0.00 -1.84 0.00 0.00 35.03 29.72 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 -1.39 0.94 3.40 0.72 0.00 -1.26 -5.02 105.19 102.57 1j03 n GLY 26 Ca -0.01 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.72 3.46 -0.20 1.61 3.52 -0.70 0.16 118.95 126.08 1j03 s ARG 27 Ca 0.00 -0.64 -0.22 0.00 -0.13 0.00 0.00 55.73 54.74 1j03 s ARG 27 Cb 0.00 -2.72 -0.02 0.00 -1.56 0.00 0.00 34.95 30.65 1j03 s ARG 27 CO 0.00 0.21 0.70 0.08 -0.81 0.00 0.00 175.30 175.48 1j03 s VAL 28 N 0.39 4.97 0.22 7.11 1.01 0.47 -0.19 120.40 134.37 1j03 s VAL 28 Ca -0.09 1.33 0.10 0.00 0.00 0.00 0.00 61.98 63.33 1j03 s VAL 28 Cb -0.15 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1j03 s VAL 28 CO 0.05 0.07 -0.11 -0.36 0.00 0.00 0.00 175.10 174.75 1j03 s PHE 29 N 2.08 2.55 -0.21 5.22 0.08 0.61 -3.15 117.98 125.16 1j03 s PHE 29 Ca 0.32 -0.26 -0.11 0.00 0.12 0.00 0.00 56.93 57.00 1j03 s PHE 29 Cb -0.16 -1.19 -0.05 0.00 -0.57 0.00 0.00 43.02 41.05 1j03 s PHE 29 CO 0.11 0.58 0.16 0.34 -0.10 0.00 0.00 175.22 176.30 1j03 s ASP 30 N -3.16 6.20 0.00 1.36 -1.08 0.17 0.28 116.67 120.43 1j03 s ASP 30 Ca 0.27 0.21 0.00 0.00 -0.52 0.00 0.00 52.55 52.51 1j03 s ASP 30 Cb -0.07 -2.11 0.00 0.00 -1.46 0.00 0.00 42.92 39.28 1j03 s ASP 30 CO 0.16 0.13 0.60 1.33 0.52 0.00 0.00 175.17 177.91 1j03 n VAL 31 N 3.82 0.34 0.06 1.11 0.24 -1.11 -3.71 118.33 119.08 1j03 n VAL 31 Ca -0.15 -0.39 0.21 0.00 -2.04 0.00 0.00 64.34 61.97 1j03 n VAL 31 Cb 0.52 0.96 0.71 0.00 -1.47 0.00 0.00 33.84 34.56 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 1.44 0.31 0.00 3.34 1.03 -1.91 0.27 112.91 117.39 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 0.67 0.57 0.00 0.00 -1.07 0.00 0.00 68.15 68.32 1j03 h THR 32 CO 0.00 0.00 0.14 1.07 -0.01 0.00 0.00 175.52 176.72 1j03 n THR 33 N -3.63 1.42 -2.70 0.00 5.66 -1.26 -1.37 114.28 112.40 1j03 n THR 33 Ca 0.09 0.49 -0.06 0.00 -3.05 0.00 0.00 64.05 61.51 1j03 n THR 33 Cb 0.72 -1.49 0.08 0.00 -1.55 0.00 0.00 70.33 68.09 1j03 n THR 33 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j03 n GLY 34 N -1.35 1.53 0.41 1.09 0.00 0.96 -4.92 105.19 102.90 1j03 n GLY 34 Ca 0.00 -0.68 0.20 0.00 0.00 0.00 0.00 46.02 45.54 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 2.35 0.00 0.00 1.61 2.10 -1.28 1.69 116.57 123.04 1j03 h LYS 35 Ca -0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 1j03 h LYS 35 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1j03 h LYS 35 CO 0.17 0.00 0.00 0.77 -2.00 0.00 0.00 179.45 178.39 1j03 h SER 36 N 0.00 0.00 0.00 7.07 0.02 -1.91 4.12 113.55 122.85 1j03 h SER 36 Ca 0.22 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.92 1j03 h SER 36 Cb 1.59 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.09 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 -2.64 0.00 -0.09 3.45 3.72 0.57 -3.46 117.46 119.01 1j03 n PHE 37 Ca -0.02 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.23 1j03 n PHE 37 Cb 0.09 -0.59 -0.14 0.00 -0.94 0.00 0.00 39.48 37.90 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 -3.24 0.29 0.00 1.38 4.01 -0.92 0.28 117.16 118.96 1j03 n TYR 38 Ca -0.29 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1j03 n TYR 38 Cb 0.77 -1.04 0.00 0.00 -0.31 0.00 0.00 39.34 38.76 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 2.01 -2.53 0.00 2.72 0.00 1.35 -4.41 105.19 104.33 1j03 n GLY 39 Ca -0.38 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1j03 n GLY 39 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j03 n SER 40 N 0.00 0.00 -3.37 1.61 3.41 -1.02 -4.36 113.62 109.89 1j03 n SER 40 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 1j03 n SER 40 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1j03 n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j03 n GLY 41 N 0.00 1.75 0.00 5.00 0.00 -1.26 -4.57 105.19 106.11 1j03 n GLY 41 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 4.45 1.03 0.04 -0.02 0.00 -1.22 -4.93 105.19 104.54 1j03 n GLY 42 Ca 0.37 -0.80 -0.00 0.00 0.00 0.00 0.00 46.02 45.58 1j03 n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j03 n ASP 43 N 0.00 1.42 -1.95 1.61 9.92 0.79 -4.47 116.55 123.87 1j03 n ASP 43 Ca 0.00 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 54.03 1j03 n ASP 43 Cb 0.00 1.24 0.08 0.00 -0.64 0.00 0.00 41.12 41.80 1j03 n ASP 43 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1j03 n TYR 44 N -2.32 2.56 0.09 1.24 4.01 0.47 -4.69 117.16 118.53 1j03 n TYR 44 Ca -0.14 -2.35 0.09 0.00 -0.16 0.00 0.00 57.90 55.33 1j03 n TYR 44 Cb 0.72 -0.75 0.55 0.00 -0.31 0.00 0.00 39.34 39.55 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 1.84 0.21 0.87 7.72 4.64 -1.77 0.92 113.55 127.98 1j03 h SER 45 Ca 0.42 -0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.51 1j03 h SER 45 Cb 1.37 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.38 1j03 h SER 45 CO 0.96 0.14 -1.17 0.00 -0.87 0.00 0.00 176.83 175.90 1j03 h MET 46 N 0.24 0.01 0.07 4.77 -0.00 -1.91 -3.30 114.93 114.81 1j03 h MET 46 Ca 0.12 -0.02 -0.25 0.00 -0.00 0.00 0.00 59.70 59.55 1j03 h MET 46 Cb 0.18 0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 31.78 1j03 h MET 46 CO -0.02 0.90 -1.14 0.74 -0.00 0.00 0.00 176.91 177.39 1j03 h PHE 47 N 0.00 0.29 -0.79 -0.10 0.04 -1.43 -3.42 116.94 111.53 1j03 h PHE 47 Ca -0.08 -0.21 -0.79 0.00 2.80 0.00 0.00 57.97 59.70 1j03 h PHE 47 Cb 1.83 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.96 1j03 h PHE 47 CO 0.00 1.16 1.04 0.00 -0.60 0.00 0.00 178.31 179.92 1j03 n ALA 48 N -2.46 -0.27 -3.24 2.45 0.00 0.30 0.22 120.51 117.51 1j03 n ALA 48 Ca -0.05 0.30 -0.21 0.00 0.00 0.00 0.00 53.44 53.48 1j03 n ALA 48 Cb 0.99 -2.12 0.05 0.00 0.00 0.00 0.00 19.45 18.38 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 5.55 -0.41 3.38 0.00 0.00 -1.09 -4.64 105.19 107.98 1j03 n GLY 49 Ca 0.40 0.11 -0.14 0.00 0.00 0.00 0.00 46.02 46.38 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 -5.92 0.71 -1.27 1.61 1.02 0.59 -4.30 119.74 112.17 1j03 s LYS 50 Ca 0.41 0.35 -0.19 0.00 0.02 0.00 0.00 55.97 56.56 1j03 s LYS 50 Cb -0.18 0.33 0.02 0.00 -0.52 0.00 0.00 37.83 37.48 1j03 s LYS 50 CO 0.51 -0.16 1.81 -3.47 -0.92 0.00 0.00 175.35 173.13 1j03 n ASP 51 N 1.98 4.38 -3.11 2.83 -0.08 -1.26 -3.60 116.55 117.70 1j03 n ASP 51 Ca -0.17 -2.86 -0.28 0.00 -1.51 0.00 0.00 54.79 49.97 1j03 n ASP 51 Cb 0.56 -1.73 -0.04 0.00 2.34 0.00 0.00 41.12 42.25 1j03 n ASP 51 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1j03 n ALA 52 N 9.83 6.06 0.05 -1.67 0.00 -1.21 0.79 120.51 134.35 1j03 n ALA 52 Ca 0.48 -2.61 -0.11 0.00 0.00 0.00 0.00 53.44 51.20 1j03 n ALA 52 Cb 0.46 -3.09 -0.08 0.00 0.00 0.00 0.00 19.45 16.74 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 5.41 -0.17 -0.26 0.00 0.02 -1.79 -0.95 113.55 115.82 1j03 h SER 53 Ca 0.63 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1j03 h SER 53 Cb 0.33 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1j03 h SER 53 CO 1.46 0.40 0.14 0.03 -1.14 0.00 0.00 176.83 177.72 1j03 h ARG 54 N -0.85 0.37 -0.58 3.45 3.08 -1.78 0.47 114.38 118.54 1j03 h ARG 54 Ca -0.02 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1j03 h ARG 54 Cb 0.53 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1j03 h ARG 54 CO 0.03 0.33 0.38 0.00 -1.07 0.00 0.00 179.97 179.65 1j03 h ALA 55 N 1.01 1.61 -0.11 0.04 0.00 -1.76 -0.38 119.26 119.67 1j03 h ALA 55 Ca 0.09 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1j03 h ALA 55 Cb 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1j03 h ALA 55 CO -0.01 0.35 -0.24 -0.07 0.00 0.00 0.00 179.25 179.27 1j03 h LEU 56 N 0.76 0.41 0.00 0.00 3.38 -0.46 0.61 115.31 120.00 1j03 h LEU 56 Ca 0.22 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1j03 h LEU 56 Cb -0.05 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1j03 h LEU 56 CO -0.05 0.90 0.00 0.61 0.09 0.00 0.00 178.44 179.99 1j03 n GLY 57 N 0.45 -2.95 0.30 0.83 0.00 0.16 -2.61 105.19 101.37 1j03 n GLY 57 Ca -0.07 0.05 0.16 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.63 1.61 6.56 -1.27 -3.41 116.57 119.43 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 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 1j03 h LYS 58 CO 0.00 0.00 -0.12 -1.33 -2.06 0.00 0.00 179.45 175.94 1j03 n MET 59 N -2.77 -0.37 -3.49 3.15 2.81 0.22 -5.04 117.12 111.63 1j03 n MET 59 Ca -0.02 0.26 -0.21 0.00 -1.81 0.00 0.00 57.70 55.92 1j03 n MET 59 Cb 0.23 -4.01 -0.01 0.00 -0.71 0.00 0.00 33.22 28.73 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 -2.80 6.06 -0.44 7.83 0.15 0.19 -4.94 113.70 119.75 1j03 s SER 60 Ca 0.00 0.03 0.04 0.00 0.70 0.00 0.00 55.95 56.72 1j03 s SER 60 Cb 0.00 -1.53 0.47 0.00 -1.71 0.00 0.00 66.02 63.25 1j03 s SER 60 CO 0.00 -0.38 1.58 0.29 1.20 0.00 0.00 173.24 175.93 1j03 n LYS 61 N -1.68 2.96 -2.80 5.44 5.02 -1.26 -4.34 118.16 121.50 1j03 n LYS 61 Ca -0.02 -3.65 -0.41 0.00 -2.02 0.00 0.00 58.31 52.20 1j03 n LYS 61 Cb 0.58 -2.22 -0.04 0.00 -0.02 0.00 0.00 35.03 33.33 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 -2.69 7.29 0.52 4.39 -0.87 -1.26 -4.92 114.94 117.40 1j03 s ASN 62 Ca 0.56 1.55 0.31 0.00 -1.57 0.00 0.00 52.86 53.71 1j03 s ASN 62 Cb 0.45 -2.53 1.13 0.00 -0.02 0.00 0.00 41.25 40.28 1j03 s ASN 62 CO 0.02 -0.21 1.90 -0.08 -2.57 0.00 0.00 177.10 176.16 1j03 h GLU 63 N 6.69 0.00 0.00 -0.60 4.81 -1.94 -2.61 114.58 120.94 1j03 h GLU 63 Ca -0.41 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.76 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 0.75 0.02 -1.19 0.39 -0.73 0.00 0.00 179.01 178.25 1j03 n GLU 64 N -3.11 0.61 -0.02 1.92 -0.58 -1.26 -4.08 120.64 114.12 1j03 n GLU 64 Ca 0.01 0.15 -0.12 0.00 -0.42 0.00 0.00 57.16 56.78 1j03 n GLU 64 Cb 0.36 -1.81 -0.07 0.00 -0.57 0.00 0.00 31.44 29.35 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 0.12 -1.46 1.62 5.19 -1.86 -3.42 116.42 116.61 1j03 h ASP 65 Ca -0.06 -0.25 -0.72 0.00 -0.62 0.00 0.00 57.03 55.38 1j03 h ASP 65 Cb 1.21 -0.03 0.01 0.00 0.18 0.00 0.00 39.33 40.69 1j03 h ASP 65 CO 0.02 0.34 1.02 0.55 -3.12 0.00 0.00 179.24 178.04 1j03 n VAL 66 N -4.89 0.31 -4.25 -1.35 3.14 -1.19 -3.94 118.33 106.16 1j03 n VAL 66 Ca -0.06 -0.09 -0.27 0.00 -2.96 0.00 0.00 64.34 60.96 1j03 n VAL 66 Cb 0.16 -1.33 -0.17 0.00 -1.06 0.00 0.00 33.84 31.44 1j03 n VAL 66 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1j03 s SER 67 N 4.31 2.15 0.00 6.55 0.01 0.24 -4.83 113.70 122.13 1j03 s SER 67 Ca 1.01 -0.35 0.13 0.00 1.31 0.00 0.00 55.95 58.05 1j03 s SER 67 Cb -1.02 -0.92 0.75 0.00 0.21 0.00 0.00 66.02 65.04 1j03 s SER 67 CO 0.62 -0.04 1.30 -0.81 0.41 0.00 0.00 173.24 174.72 1j03 n PRO 68 N 4.41 0.75 -3.90 12.44 -0.04 -1.26 -4.29 135.00 143.11 1j03 n PRO 68 Ca -0.18 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.17 1j03 n PRO 68 Cb 0.51 -1.26 -0.12 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.65 0.05 -0.22 3.54 1.04 -1.26 -4.81 113.70 110.40 1j03 s SER 69 Ca 0.19 -0.14 -0.06 0.00 0.48 0.00 0.00 55.95 56.42 1j03 s SER 69 Cb 0.09 0.13 -0.21 0.00 0.10 0.00 0.00 66.02 66.13 1j03 s SER 69 CO 0.15 -0.18 3.13 0.18 0.98 0.00 0.00 173.24 177.50 1j03 n LEU 70 N 2.28 5.00 -2.84 2.42 4.77 -1.26 -4.47 117.00 122.90 1j03 n LEU 70 Ca -0.18 -2.98 -0.36 0.00 -0.03 0.00 0.00 56.01 52.46 1j03 n LEU 70 Cb 0.57 -1.26 0.02 0.00 -2.33 0.00 0.00 43.42 40.43 1j03 n LEU 70 CO 0.22 1.44 1.07 -0.62 -1.33 0.00 0.00 177.39 178.17 1j03 n GLU 71 N 2.75 3.19 0.00 3.23 -0.58 -1.26 -4.43 120.64 123.54 1j03 n GLU 71 Ca 0.42 -3.96 0.00 0.00 -0.42 0.00 0.00 57.16 53.19 1j03 n GLU 71 Cb 0.70 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.29 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 -0.47 0.25 3.53 0.62 0.00 -1.26 -5.08 105.19 102.77 1j03 n GLY 72 Ca 0.48 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.23 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 0.78 0.00 0.99 7.99 -1.26 -4.87 117.00 120.63 1j03 n LEU 73 Ca 0.00 -0.67 -0.23 0.00 -0.01 0.00 0.00 56.01 55.10 1j03 n LEU 73 Cb 0.00 -1.20 0.17 0.00 -0.11 0.00 0.00 43.42 42.28 1j03 n LEU 73 CO 0.00 -1.68 0.57 0.35 -1.51 0.00 0.00 177.39 175.12 1j03 n THR 74 N 7.50 0.00 -0.14 -5.08 -2.24 -1.26 -4.61 114.28 108.45 1j03 n THR 74 Ca 0.54 -0.57 -0.10 0.00 -2.27 0.00 0.00 64.05 61.65 1j03 n THR 74 Cb 0.30 -1.41 -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 0.73 -0.22 -0.78 5.08 -1.96 1.59 114.58 119.03 1j03 h GLU 75 Ca -0.32 -0.23 0.06 0.00 -1.00 0.00 0.00 59.36 57.87 1j03 h GLU 75 Cb 0.93 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.05 1j03 h GLU 75 CO 0.22 0.80 -0.20 1.57 -1.00 0.00 0.00 179.01 180.41 1j03 h LYS 76 N 0.57 -0.20 -0.04 2.33 2.10 -1.98 0.95 116.57 120.30 1j03 h LYS 76 Ca 0.12 0.01 -0.24 0.00 -2.00 0.00 0.00 60.65 58.54 1j03 h LYS 76 Cb 0.47 0.04 0.02 0.00 -0.90 0.00 0.00 32.23 31.86 1j03 h LYS 76 CO 0.02 -0.13 -0.91 1.05 -2.00 0.00 0.00 179.45 177.47 1j03 h GLU 77 N -0.20 0.69 -0.50 0.07 4.11 -1.80 -3.20 114.58 113.75 1j03 h GLU 77 Ca 0.13 -0.69 0.08 0.00 0.07 0.00 0.00 59.36 58.95 1j03 h GLU 77 Cb 0.40 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.77 1j03 h GLU 77 CO -0.34 1.28 0.12 0.82 0.07 0.00 0.00 179.01 180.96 1j03 h ILE 78 N 0.36 0.75 -0.34 -1.06 1.08 0.29 7.59 117.51 126.18 1j03 h ILE 78 Ca -0.10 -0.09 0.08 0.00 -0.39 0.00 0.00 64.86 64.35 1j03 h ILE 78 Cb 1.57 0.46 -0.08 0.00 -3.07 0.00 0.00 36.82 35.70 1j03 h ILE 78 CO 0.18 0.05 -0.23 0.78 -0.69 0.00 0.00 178.15 178.24 1j03 h ASN 79 N 0.27 -0.76 0.08 1.72 2.35 0.88 3.28 115.58 123.40 1j03 h ASN 79 Ca 0.25 0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 56.03 1j03 h ASN 79 Cb 0.31 0.38 0.01 0.00 0.05 0.00 0.00 38.32 39.08 1j03 h ASN 79 CO -0.30 -0.26 -0.50 0.74 -1.65 0.00 0.00 177.43 175.46 1j03 h THR 80 N -0.19 1.61 0.51 2.81 2.02 -1.25 -2.67 112.91 115.75 1j03 h THR 80 Ca 0.17 -2.42 -0.02 0.00 0.77 0.00 0.00 66.41 64.91 1j03 h THR 80 Cb 0.45 3.22 -0.01 0.00 -1.74 0.00 0.00 68.15 70.07 1j03 h THR 80 CO -0.45 0.67 -0.37 0.25 0.37 0.00 0.00 175.52 175.98 1j03 h LEU 81 N -0.58 -0.96 -1.08 2.58 7.12 1.63 2.52 115.31 126.54 1j03 h LEU 81 Ca -0.09 0.07 0.16 0.00 0.13 0.00 0.00 57.88 58.15 1j03 h LEU 81 Cb 1.38 0.30 -0.09 0.00 -0.53 0.00 0.00 40.66 41.71 1j03 h LEU 81 CO 0.09 -0.55 0.62 -1.13 -0.13 0.00 0.00 178.44 177.34 1j03 h ASN 82 N -0.86 0.80 0.83 1.25 -0.73 0.60 0.54 115.58 118.00 1j03 h ASN 82 Ca -0.06 0.07 -0.15 0.00 1.87 0.00 0.00 56.30 58.03 1j03 h ASN 82 Cb 0.72 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 39.21 1j03 h ASN 82 CO 0.02 0.35 -0.74 0.44 -0.37 0.00 0.00 177.43 177.14 1j03 h ASP 83 N 0.81 0.00 -0.75 1.15 3.32 -0.96 -3.05 116.42 116.95 1j03 h ASP 83 Ca 0.53 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.58 1j03 h ASP 83 Cb 0.76 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.27 1j03 h ASP 83 CO -0.30 0.74 0.49 -0.50 -1.72 0.00 0.00 179.24 177.94 1j03 h TRP 84 N 0.00 0.95 -0.41 4.55 -0.00 0.94 0.34 115.95 122.33 1j03 h TRP 84 Ca -0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.90 1j03 h TRP 84 Cb 1.35 -0.32 -0.02 0.00 -0.00 0.00 0.00 29.16 30.17 1j03 h TRP 84 CO 0.00 0.61 0.24 1.49 -0.00 0.00 0.00 178.44 180.78 1j03 h GLU 85 N 1.02 0.55 -0.34 0.49 4.22 -0.99 1.02 114.58 120.55 1j03 h GLU 85 Ca 0.27 -0.05 -0.07 0.00 0.08 0.00 0.00 59.36 59.59 1j03 h GLU 85 Cb -0.10 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 1j03 h GLU 85 CO -0.06 0.41 -0.09 1.15 -2.18 0.00 0.00 179.01 178.24 1j03 h THR 86 N 0.53 1.23 -0.09 0.32 2.02 -1.29 1.36 112.91 117.00 1j03 h THR 86 Ca 0.15 -1.01 -0.16 0.00 0.77 0.00 0.00 66.41 66.16 1j03 h THR 86 Cb 0.00 1.07 0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1j03 h THR 86 CO -0.03 0.34 -0.57 0.11 0.37 0.00 0.00 175.52 175.74 1j03 h LYS 87 N 0.54 0.55 -0.20 6.66 1.57 0.27 -0.08 116.57 125.88 1j03 h LYS 87 Ca 0.10 -0.47 -0.14 0.00 -1.87 0.00 0.00 60.65 58.27 1j03 h LYS 87 Cb 0.48 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1j03 h LYS 87 CO 0.03 1.10 -0.43 0.74 -0.57 0.00 0.00 179.45 180.32 1j03 h PHE 88 N 0.15 0.81 0.00 -1.35 -1.00 0.13 0.81 116.94 116.49 1j03 h PHE 88 Ca -0.05 -0.30 0.00 0.00 2.81 0.00 0.00 57.97 60.43 1j03 h PHE 88 Cb 1.23 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.64 1j03 h PHE 88 CO 0.11 1.07 0.00 1.05 -1.61 0.00 0.00 178.31 178.93 1j03 h GLU 89 N 0.32 0.00 0.00 1.51 -0.00 0.17 2.10 114.58 118.68 1j03 h GLU 89 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1j03 h GLU 89 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.78 1j03 h GLU 89 CO 0.09 0.00 -1.04 0.00 -0.00 0.00 0.00 179.01 178.07 1j03 n ALA 90 N -2.07 3.45 -0.04 1.06 0.00 -0.04 -4.66 120.51 118.20 1j03 n ALA 90 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1j03 n ALA 90 Cb 0.34 -0.96 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 -1.94 0.00 -2.16 0.00 4.76 0.26 -5.03 118.16 114.05 1j03 n LYS 91 Ca 0.02 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.06 1j03 n LYS 91 Cb 0.43 -0.12 -0.02 0.00 -1.84 0.00 0.00 35.03 33.48 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 -0.96 3.00 0.22 2.13 2.02 0.70 -4.98 117.35 119.48 1j03 s TYR 92 Ca 0.00 1.47 -0.30 0.00 -0.37 0.00 0.00 57.07 57.87 1j03 s TYR 92 Cb 0.00 -3.57 -0.08 0.00 -0.40 0.00 0.00 41.96 37.90 1j03 s TYR 92 CO 0.00 -1.71 1.10 -1.25 -1.57 0.00 0.00 175.55 172.12 1j03 s PRO 93 N -2.08 4.61 -0.47 -1.71 0.04 -1.24 -4.22 135.00 129.93 1j03 s PRO 93 Ca 0.54 1.76 -0.23 0.00 0.04 0.00 0.00 61.00 63.11 1j03 s PRO 93 Cb -0.36 -3.24 0.03 0.00 0.04 0.00 0.00 34.50 30.97 1j03 s PRO 93 CO 0.47 0.13 0.81 0.08 0.04 0.00 0.00 177.00 178.53 1j03 s VAL 94 N -0.63 4.61 -1.06 -0.36 1.01 -1.26 0.45 120.40 123.15 1j03 s VAL 94 Ca 0.47 0.33 0.27 0.00 0.00 0.00 0.00 61.98 63.05 1j03 s VAL 94 Cb -0.31 -4.37 0.13 0.00 0.00 0.00 0.00 36.38 31.84 1j03 s VAL 94 CO 0.37 -0.81 1.65 1.33 0.00 0.00 0.00 175.10 177.64 1j03 n VAL 95 N 6.12 0.00 -0.01 2.92 0.24 -1.19 -4.99 118.33 121.42 1j03 n VAL 95 Ca 0.02 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1j03 n VAL 95 Cb 0.48 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 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 1.48 -2.90 3.33 7.63 0.00 -1.24 -4.29 105.19 109.21 1j03 n GLY 96 Ca 0.07 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.99 2.81 1.01 1.61 1.04 -1.26 -0.40 118.95 121.78 1j03 s ARG 97 Ca 0.00 -0.80 -0.18 0.00 -1.04 0.00 0.00 55.73 53.71 1j03 s ARG 97 Cb 0.00 -2.34 -0.04 0.00 -2.04 0.00 0.00 34.95 30.52 1j03 s ARG 97 CO 0.00 0.37 -0.37 0.28 -0.04 0.00 0.00 175.30 175.53 1j03 n VAL 98 N 3.03 0.00 0.00 4.99 0.31 0.41 -2.50 118.33 124.57 1j03 n VAL 98 Ca -0.18 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 1j03 n VAL 98 Cb 0.52 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 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 -3.44 0.00 -1.58 2.52 0.24 -1.11 -4.71 118.33 110.25 1j03 n VAL 99 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 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 -1.20 -2.14 0.00 0.00 176.83 173.49