#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 0.86 0.10 1.61 -0.04 -1.26 -4.96 135.00 131.31 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 -0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 0.00 -5.63 0.54 2.86 -1.88 -3.48 114.93 107.34 1j03 h MET 1 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1j03 h MET 1 Cb 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.60 1j03 h MET 1 CO 0.00 0.75 -0.78 0.39 1.06 0.00 0.00 176.91 178.33 1j03 n GLU 2 N -3.38 -2.80 -4.32 1.72 1.02 -1.25 -4.77 120.64 106.86 1j03 n GLU 2 Ca 0.00 2.26 -0.34 0.00 -0.02 0.00 0.00 57.16 59.06 1j03 n GLU 2 Cb 0.80 -2.85 -0.11 0.00 -0.02 0.00 0.00 31.44 29.27 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 -0.38 3.12 0.46 -0.32 0.08 1.35 -4.73 117.98 117.56 1j03 s PHE 3 Ca -0.13 -0.02 -0.19 0.00 0.12 0.00 0.00 56.93 56.71 1j03 s PHE 3 Cb 0.01 -1.91 -0.10 0.00 -0.57 0.00 0.00 43.02 40.45 1j03 s PHE 3 CO 0.38 0.21 0.96 0.95 -0.10 0.00 0.00 175.22 177.62 1j03 s THR 4 N -0.16 4.45 0.52 0.64 -4.23 -1.26 -2.64 115.64 112.96 1j03 s THR 4 Ca 0.05 1.37 0.28 0.00 -1.18 0.00 0.00 61.69 62.20 1j03 s THR 4 Cb -0.13 -3.65 0.44 0.00 1.34 0.00 0.00 72.50 70.51 1j03 s THR 4 CO 0.02 -0.46 1.93 0.00 -0.54 0.00 0.00 174.62 175.58 1j03 h ALA 5 N 1.54 2.64 -0.10 3.99 0.00 -1.88 1.46 119.26 126.92 1j03 h ALA 5 Ca -0.48 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1j03 h ALA 5 Cb 1.18 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1j03 h ALA 5 CO 0.61 -0.85 -0.01 0.93 0.00 0.00 0.00 179.25 179.92 1j03 h GLU 6 N 0.04 0.18 -0.03 0.00 5.08 -1.92 0.20 114.58 118.14 1j03 h GLU 6 Ca 0.36 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.48 1j03 h GLU 6 Cb 1.36 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.61 1j03 h GLU 6 CO -0.02 0.48 -0.65 1.96 -1.00 0.00 0.00 179.01 179.78 1j03 h GLN 7 N -0.13 0.49 -0.67 2.33 7.50 -1.16 -3.18 115.11 120.29 1j03 h GLN 7 Ca 0.03 -0.49 0.01 0.00 0.50 0.00 0.00 58.65 58.70 1j03 h GLN 7 Cb 0.40 0.13 -0.03 0.00 0.05 0.00 0.00 27.48 28.03 1j03 h GLN 7 CO 0.01 1.13 0.45 1.25 -1.50 0.00 0.00 178.83 180.16 1j03 h LEU 8 N 0.04 0.76 0.00 1.46 5.85 0.19 0.29 115.31 123.91 1j03 h LEU 8 Ca -0.07 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1j03 h LEU 8 Cb 1.33 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1j03 h LEU 8 CO 0.13 0.55 0.00 -0.24 -0.34 0.00 0.00 178.44 178.54 1j03 n SER 9 N -4.44 0.00 0.06 1.25 2.88 0.70 -1.28 113.62 112.79 1j03 n SER 9 Ca 0.07 0.38 -0.02 0.00 -1.33 0.00 0.00 58.87 57.97 1j03 n SER 9 Cb 0.05 -0.43 -0.07 0.00 -0.75 0.00 0.00 64.21 63.01 1j03 n SER 9 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1j03 h GLN 10 N 0.00 0.00 -2.00 -1.46 1.08 -0.42 -3.35 115.11 108.96 1j03 h GLN 10 Ca 0.00 0.00 -0.73 0.00 -1.45 0.00 0.00 58.65 56.47 1j03 h GLN 10 Cb 0.15 0.00 -0.31 0.00 -0.05 0.00 0.00 27.48 27.27 1j03 h GLN 10 CO 0.00 0.54 0.54 0.66 -0.95 0.00 0.00 178.83 179.62 1j03 n TYR 11 N -3.12 3.13 0.66 2.96 4.01 -0.40 -4.65 117.16 119.75 1j03 n TYR 11 Ca -0.05 -2.71 0.05 0.00 -0.16 0.00 0.00 57.90 55.02 1j03 n TYR 11 Cb 0.86 -0.91 0.16 0.00 -0.31 0.00 0.00 39.34 39.15 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 -0.38 2.25 -2.38 7.72 0.23 -1.24 -0.83 115.26 120.63 1j03 n ASN 12 Ca 0.47 -2.15 -0.00 0.00 -0.53 0.00 0.00 54.58 52.37 1j03 n ASN 12 Cb 0.34 -0.35 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 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 0.77 -3.85 0.04 4.83 0.00 -1.17 -4.37 105.19 101.44 1j03 n GLY 13 Ca 0.12 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 0.49 0.00 0.00 2.61 5.66 -1.26 0.20 114.28 121.98 1j03 n THR 14 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1j03 n THR 14 Cb 0.01 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 1j03 n THR 14 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1j03 n ASP 15 N -0.88 0.00 -0.07 1.09 -0.08 -1.26 -4.83 116.55 110.52 1j03 n ASP 15 Ca 0.00 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.21 1j03 n ASP 15 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 1j03 n ASP 15 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1j03 n GLU 16 N 0.00 0.42 -0.05 -0.67 4.71 -1.26 -4.78 120.64 119.01 1j03 n GLU 16 Ca 0.00 0.17 -0.18 0.00 -0.01 0.00 0.00 57.16 57.14 1j03 n GLU 16 Cb 0.00 -1.24 -0.13 0.00 -1.01 0.00 0.00 31.44 29.06 1j03 n GLU 16 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1j03 h SER 17 N -0.80 0.14 -0.87 1.62 0.02 -1.99 -3.46 113.55 108.21 1j03 h SER 17 Ca 0.00 -0.86 -0.81 0.00 -0.84 0.00 0.00 61.79 59.28 1j03 h SER 17 Cb 0.80 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 63.30 1j03 h SER 17 CO 0.00 1.28 0.68 0.29 -1.14 0.00 0.00 176.83 177.94 1j03 n LYS 18 N -4.38 0.00 0.00 3.45 4.01 -1.26 -4.90 118.16 115.08 1j03 n LYS 18 Ca -0.18 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.62 1j03 n LYS 18 Cb 0.65 -1.40 0.00 0.00 -0.51 0.00 0.00 35.03 33.77 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 3.93 0.35 -3.93 1.97 -0.04 -1.26 -4.58 135.00 131.44 1j03 n PRO 19 Ca 0.30 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.46 1j03 n PRO 19 Cb -0.05 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.25 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 -0.43 1.73 -0.02 0.52 1.01 -1.24 -3.04 121.20 119.73 1j03 s ILE 20 Ca 0.00 -1.78 0.08 0.00 0.00 0.00 0.00 60.65 58.95 1j03 s ILE 20 Cb 0.00 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 1j03 s ILE 20 CO 0.00 -0.45 -0.25 -0.31 0.00 0.00 0.00 174.94 173.92 1j03 s TYR 21 N 1.22 2.28 0.35 3.97 2.02 -0.01 -3.26 117.35 123.92 1j03 s TYR 21 Ca 0.05 -0.44 0.08 0.00 -0.37 0.00 0.00 57.07 56.39 1j03 s TYR 21 Cb -0.19 -1.47 -0.05 0.00 -0.40 0.00 0.00 41.96 39.86 1j03 s TYR 21 CO -0.12 -0.05 0.12 0.08 -1.57 0.00 0.00 175.55 174.02 1j03 s VAL 22 N -0.58 2.82 -0.06 0.71 1.01 0.13 -2.82 120.40 121.62 1j03 s VAL 22 Ca 0.09 -1.75 0.02 0.00 0.00 0.00 0.00 61.98 60.34 1j03 s VAL 22 Cb -0.10 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.36 1j03 s VAL 22 CO -0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 175.10 174.84 1j03 s ALA 23 N -2.47 1.06 -0.19 5.51 0.00 -1.23 0.48 121.76 124.91 1j03 s ALA 23 Ca 0.38 -0.30 -0.04 0.00 0.00 0.00 0.00 51.96 51.99 1j03 s ALA 23 Cb -0.01 -0.50 0.08 0.00 0.00 0.00 0.00 23.12 22.69 1j03 s ALA 23 CO 0.22 0.09 0.16 0.42 0.00 0.00 0.00 175.76 176.65 1j03 s ILE 24 N 0.69 -0.21 -0.32 0.00 1.01 0.27 -2.02 121.20 120.61 1j03 s ILE 24 Ca -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.35 1j03 s ILE 24 Cb -0.15 -0.65 0.00 0.00 0.01 0.00 0.00 42.46 41.67 1j03 s ILE 24 CO 0.02 -0.26 0.00 0.29 0.00 0.00 0.00 174.94 174.99 1j03 n LYS 25 N 5.30 -0.88 -0.12 2.79 5.02 -1.26 -1.60 118.16 127.40 1j03 n LYS 25 Ca -0.06 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1j03 n LYS 25 Cb 0.49 -4.21 0.00 0.00 -0.02 0.00 0.00 35.03 31.29 1j03 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j03 n GLY 26 N -1.28 0.93 3.46 0.72 0.00 -1.26 -4.78 105.19 102.98 1j03 n GLY 26 Ca -0.03 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.70 3.62 -0.19 1.61 3.52 -0.63 0.46 118.95 126.65 1j03 s ARG 27 Ca 0.00 -0.52 -0.28 0.00 -0.13 0.00 0.00 55.73 54.80 1j03 s ARG 27 Cb 0.00 -3.03 -0.00 0.00 -1.56 0.00 0.00 34.95 30.36 1j03 s ARG 27 CO 0.00 0.07 0.98 0.08 -0.81 0.00 0.00 175.30 175.62 1j03 s VAL 28 N 0.84 4.75 0.17 7.11 1.01 -1.11 -0.56 120.40 132.62 1j03 s VAL 28 Ca 0.00 1.93 0.10 0.00 0.00 0.00 0.00 61.98 64.01 1j03 s VAL 28 Cb -0.14 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 1j03 s VAL 28 CO 0.02 -0.09 -0.17 -0.36 0.00 0.00 0.00 175.10 174.50 1j03 s PHE 29 N 2.69 2.49 -0.25 5.22 0.08 0.18 -3.43 117.98 124.95 1j03 s PHE 29 Ca 0.43 -0.28 -0.11 0.00 0.12 0.00 0.00 56.93 57.10 1j03 s PHE 29 Cb -0.16 -1.24 -0.05 0.00 -0.57 0.00 0.00 43.02 41.00 1j03 s PHE 29 CO 0.10 0.48 0.17 0.34 -0.10 0.00 0.00 175.22 176.22 1j03 s ASP 30 N -2.64 6.07 0.00 1.36 -1.08 0.17 0.22 116.67 120.77 1j03 s ASP 30 Ca 0.22 0.07 0.00 0.00 -0.52 0.00 0.00 52.55 52.32 1j03 s ASP 30 Cb -0.09 -2.11 0.00 0.00 -1.46 0.00 0.00 42.92 39.27 1j03 s ASP 30 CO 0.12 0.03 0.70 1.33 0.52 0.00 0.00 175.17 177.87 1j03 n VAL 31 N 4.55 0.47 0.07 1.11 0.24 -1.20 -3.56 118.33 120.01 1j03 n VAL 31 Ca -0.15 -0.65 0.21 0.00 -2.04 0.00 0.00 64.34 61.71 1j03 n VAL 31 Cb 0.52 0.84 0.71 0.00 -1.47 0.00 0.00 33.84 34.44 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 0.34 0.30 0.00 3.34 1.03 -1.91 0.32 112.91 116.33 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 0.36 0.57 0.00 0.00 -1.07 0.00 0.00 68.15 68.01 1j03 h THR 32 CO 0.00 0.00 0.11 1.07 -0.01 0.00 0.00 175.52 176.69 1j03 n THR 33 N -3.60 1.50 -2.69 0.00 5.66 -1.26 -1.75 114.28 112.14 1j03 n THR 33 Ca 0.09 0.49 -0.07 0.00 -3.05 0.00 0.00 64.05 61.50 1j03 n THR 33 Cb 0.71 -1.49 0.09 0.00 -1.55 0.00 0.00 70.33 68.10 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 -1.37 1.43 0.38 1.09 0.00 0.11 -4.93 105.19 101.90 1j03 n GLY 34 Ca 0.00 -0.52 0.18 0.00 0.00 0.00 0.00 46.02 45.67 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 2.29 0.00 0.00 1.61 2.10 -1.37 0.88 116.57 122.09 1j03 h LYS 35 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 1j03 h LYS 35 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1j03 h LYS 35 CO 0.11 0.00 0.04 0.77 -2.00 0.00 0.00 179.45 178.38 1j03 h SER 36 N 0.00 0.00 0.00 7.07 0.02 -1.90 5.42 113.55 124.16 1j03 h SER 36 Ca 0.13 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.84 1j03 h SER 36 Cb 1.15 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 1j03 h SER 36 CO -0.00 0.00 -1.88 0.49 -1.14 0.00 0.00 176.83 174.30 1j03 n PHE 37 N -2.67 0.00 -0.08 3.45 3.72 0.30 -4.32 117.46 117.86 1j03 n PHE 37 Ca -0.02 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.22 1j03 n PHE 37 Cb 0.09 -0.59 -0.14 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 -3.07 0.42 -0.52 1.38 4.01 -0.97 0.34 117.16 118.74 1j03 n TYR 38 Ca -0.28 0.11 -0.11 0.00 -0.16 0.00 0.00 57.90 57.45 1j03 n TYR 38 Cb 0.78 -1.06 0.11 0.00 -0.31 0.00 0.00 39.34 38.86 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 -1.53 2.48 2.72 0.00 1.76 -4.45 105.19 108.18 1j03 n GLY 39 Ca -0.37 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.45 0.37 -2.30 1.61 2.88 0.53 -2.62 113.62 113.64 1j03 n SER 40 Ca 0.05 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 1j03 n SER 40 Cb 0.22 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 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 1.80 0.00 1.84 0.46 0.00 -1.26 -4.96 105.19 103.07 1j03 n GLY 41 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 1.19 3.01 0.27 -0.02 0.00 -1.08 -4.94 105.19 103.63 1j03 n GLY 42 Ca 0.00 -1.66 0.05 0.00 0.00 0.00 0.00 46.02 44.41 1j03 n GLY 42 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j03 h ASP 43 N 1.13 -0.27 -2.18 1.61 3.32 0.54 -0.50 116.42 120.08 1j03 h ASP 43 Ca -0.14 0.18 -0.79 0.00 0.02 0.00 0.00 57.03 56.30 1j03 h ASP 43 Cb 0.67 0.31 -0.28 0.00 0.22 0.00 0.00 39.33 40.25 1j03 h ASP 43 CO 0.20 -0.15 0.95 -1.22 -1.72 0.00 0.00 179.24 177.30 1j03 n TYR 44 N -5.30 2.89 0.10 4.55 4.01 0.45 -4.66 117.16 119.19 1j03 n TYR 44 Ca 0.14 -2.57 -0.05 0.00 -0.16 0.00 0.00 57.90 55.26 1j03 n TYR 44 Cb 0.47 -1.15 0.10 0.00 -0.31 0.00 0.00 39.34 38.45 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 3.83 0.20 0.85 7.72 4.64 -1.23 0.00 113.55 129.57 1j03 h SER 45 Ca 0.53 -0.12 -0.23 0.00 -0.47 0.00 0.00 61.79 61.49 1j03 h SER 45 Cb 0.26 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 62.26 1j03 h SER 45 CO 1.22 0.81 -1.21 0.00 -0.87 0.00 0.00 176.83 176.79 1j03 h MET 46 N 0.12 0.00 0.08 4.77 -0.00 -1.84 -3.32 114.93 114.73 1j03 h MET 46 Ca -0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 59.70 59.42 1j03 h MET 46 Cb 1.20 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.81 1j03 h MET 46 CO 0.10 0.84 -1.13 0.74 -0.00 0.00 0.00 176.91 177.46 1j03 h PHE 47 N 0.00 0.69 -1.56 -0.10 0.04 -1.81 -3.41 116.94 110.79 1j03 h PHE 47 Ca -0.09 -0.43 -0.71 0.00 2.80 0.00 0.00 57.97 59.54 1j03 h PHE 47 Cb 1.84 -0.06 0.05 0.00 2.20 0.00 0.00 35.95 39.98 1j03 h PHE 47 CO 0.00 1.28 0.50 0.00 -0.60 0.00 0.00 178.31 179.49 1j03 n ALA 48 N -2.58 -1.13 -3.15 2.45 0.00 -0.02 0.96 120.51 117.04 1j03 n ALA 48 Ca -0.09 0.50 -0.21 0.00 0.00 0.00 0.00 53.44 53.64 1j03 n ALA 48 Cb 0.94 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 2.76 -0.49 3.44 0.00 0.00 -1.13 -4.70 105.19 105.07 1j03 n GLY 49 Ca 0.20 0.08 -0.17 0.00 0.00 0.00 0.00 46.02 46.14 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 -5.79 0.94 -0.17 1.61 1.02 0.27 -4.04 119.74 113.58 1j03 s LYS 50 Ca 0.31 0.16 -0.23 0.00 0.02 0.00 0.00 55.97 56.23 1j03 s LYS 50 Cb -0.16 0.44 -0.02 0.00 -0.52 0.00 0.00 37.83 37.57 1j03 s LYS 50 CO 0.39 -0.28 0.74 0.34 -0.92 0.00 0.00 175.35 175.62 1j03 s ASP 51 N -1.17 6.86 -0.59 2.83 -1.08 -1.26 -3.52 116.67 118.74 1j03 s ASP 51 Ca -0.11 1.05 0.04 0.00 -0.52 0.00 0.00 52.55 53.00 1j03 s ASP 51 Cb -0.02 -2.41 0.38 0.00 -1.46 0.00 0.00 42.92 39.41 1j03 s ASP 51 CO 0.08 -0.31 1.24 0.00 0.52 0.00 0.00 175.17 176.69 1j03 n ALA 52 N 4.97 5.21 0.05 3.66 0.00 -0.86 -1.22 120.51 132.33 1j03 n ALA 52 Ca 0.02 -4.46 -0.08 0.00 0.00 0.00 0.00 53.44 48.91 1j03 n ALA 52 Cb 0.49 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.95 1j03 n ALA 52 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1j03 h SER 53 N 2.92 -0.18 0.00 0.00 0.87 -1.75 -2.40 113.55 113.01 1j03 h SER 53 Ca 0.30 -0.27 -0.11 0.00 -1.23 0.00 0.00 61.79 60.48 1j03 h SER 53 Cb 0.61 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1j03 h SER 53 CO 0.94 0.38 -0.32 0.08 -0.53 0.00 0.00 176.83 177.39 1j03 h ARG 54 N -0.97 0.45 -0.40 2.24 -0.00 -1.79 -2.04 114.38 111.87 1j03 h ARG 54 Ca -0.02 -0.19 0.01 0.00 -0.00 0.00 0.00 59.98 59.77 1j03 h ARG 54 Cb 0.44 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.97 30.37 1j03 h ARG 54 CO 0.04 0.72 0.26 0.00 -0.00 0.00 0.00 179.97 180.99 1j03 h ALA 55 N 1.27 0.51 -0.42 0.08 0.00 -1.68 -1.37 119.26 117.64 1j03 h ALA 55 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1j03 h ALA 55 Cb 0.75 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1j03 h ALA 55 CO 0.06 -0.04 0.19 -0.07 0.00 0.00 0.00 179.25 179.39 1j03 h LEU 56 N 0.54 0.57 0.00 0.00 4.07 -1.21 1.63 115.31 120.90 1j03 h LEU 56 Ca 0.15 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1j03 h LEU 56 Cb -0.05 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.54 1j03 h LEU 56 CO -0.04 0.55 0.00 0.61 -1.08 0.00 0.00 178.44 178.48 1j03 n GLY 57 N -0.85 -3.03 0.28 0.83 0.00 -0.79 -2.34 105.19 99.30 1j03 n GLY 57 Ca 0.00 0.27 0.15 0.00 0.00 0.00 0.00 46.02 46.45 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 -4.37 1.61 1.57 -1.34 -3.40 116.57 110.63 1j03 h LYS 58 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1j03 h LYS 58 Cb 0.00 0.00 0.11 0.00 0.08 0.00 0.00 32.23 32.42 1j03 h LYS 58 CO 0.00 0.07 -0.50 -1.33 -0.57 0.00 0.00 179.45 177.12 1j03 n MET 59 N -3.58 -2.90 -0.01 3.15 2.81 0.55 -4.96 117.12 112.18 1j03 n MET 59 Ca -0.02 0.53 0.05 0.00 -1.81 0.00 0.00 57.70 56.45 1j03 n MET 59 Cb 0.19 -4.41 -0.09 0.00 -0.71 0.00 0.00 33.22 28.20 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 -2.43 2.36 -1.26 7.83 2.88 -0.42 -4.97 113.62 117.61 1j03 n SER 60 Ca -0.12 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.29 1j03 n SER 60 Cb 0.59 1.45 -0.06 0.00 -0.75 0.00 0.00 64.21 65.44 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 -1.95 -1.42 -1.24 -1.46 2.85 -1.24 -4.89 118.16 108.81 1j03 n LYS 61 Ca -0.04 0.83 -0.33 0.00 -1.05 0.00 0.00 58.31 57.72 1j03 n LYS 61 Cb 0.36 -5.07 0.11 0.00 -0.65 0.00 0.00 35.03 29.78 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 -2.18 3.89 0.41 -5.58 -0.87 -1.26 -4.84 114.94 104.50 1j03 s ASN 62 Ca 0.00 2.30 0.22 0.00 -1.57 0.00 0.00 52.86 53.80 1j03 s ASN 62 Cb 0.00 -2.58 0.31 0.00 -0.02 0.00 0.00 41.25 38.96 1j03 s ASN 62 CO 0.00 -2.46 1.59 -0.08 -2.57 0.00 0.00 177.10 173.57 1j03 h GLU 63 N -0.72 0.00 0.06 -0.60 4.81 -1.93 -3.26 114.58 112.95 1j03 h GLU 63 Ca -0.46 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.43 1j03 h GLU 63 Cb 1.29 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.63 1j03 h GLU 63 CO 0.48 0.11 -1.91 0.39 -0.73 0.00 0.00 179.01 177.35 1j03 n GLU 64 N -3.13 0.70 0.24 1.92 1.02 -1.26 -3.88 120.64 116.25 1j03 n GLU 64 Ca 0.03 0.26 0.18 0.00 -0.02 0.00 0.00 57.16 57.61 1j03 n GLU 64 Cb 0.57 -1.73 0.88 0.00 -0.02 0.00 0.00 31.44 31.14 1j03 n GLU 64 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1j03 h ASP 65 N 0.03 0.00 -0.71 1.62 3.04 -1.94 -3.41 116.42 115.05 1j03 h ASP 65 Ca -0.38 0.00 -0.58 0.00 -3.24 0.00 0.00 57.03 52.83 1j03 h ASP 65 Cb 2.03 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 40.28 1j03 h ASP 65 CO 0.07 0.00 1.56 0.52 -2.04 0.00 0.00 179.24 179.36 1j03 n VAL 66 N -3.58 0.04 -3.95 4.15 0.31 -1.23 -3.95 118.33 110.13 1j03 n VAL 66 Ca 0.01 -0.26 -0.34 0.00 -0.01 0.00 0.00 64.34 63.73 1j03 n VAL 66 Cb 0.30 -1.39 -0.14 0.00 -0.91 0.00 0.00 33.84 31.70 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 8.76 4.78 0.00 4.52 0.15 -0.35 -4.86 113.70 126.69 1j03 s SER 67 Ca 1.17 -1.40 0.04 0.00 0.70 0.00 0.00 55.95 56.47 1j03 s SER 67 Cb -0.92 -1.67 0.26 0.00 -1.71 0.00 0.00 66.02 61.98 1j03 s SER 67 CO 0.46 -0.26 0.94 -0.81 1.20 0.00 0.00 173.24 174.77 1j03 n PRO 68 N 4.55 0.75 -3.69 5.44 -0.04 -1.26 -3.84 135.00 136.90 1j03 n PRO 68 Ca -0.12 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.22 1j03 n PRO 68 Cb 0.43 -1.09 -0.09 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.39 -0.58 -0.44 3.54 0.15 -1.26 -4.37 113.70 109.35 1j03 s SER 69 Ca 0.06 1.05 -0.07 0.00 0.70 0.00 0.00 55.95 57.70 1j03 s SER 69 Cb 0.03 1.01 -0.21 0.00 -1.71 0.00 0.00 66.02 65.14 1j03 s SER 69 CO 0.05 -0.19 3.34 0.00 1.20 0.00 0.00 173.24 177.64 1j03 n LEU 70 N 3.43 5.99 -3.24 3.45 -0.00 -1.26 -4.58 117.00 120.79 1j03 n LEU 70 Ca -0.17 -3.40 -0.40 0.00 -0.00 0.00 0.00 56.01 52.04 1j03 n LEU 70 Cb 0.56 -1.41 0.03 0.00 -0.00 0.00 0.00 43.42 42.60 1j03 n LEU 70 CO 0.08 1.71 1.40 -0.62 -0.00 0.00 0.00 177.39 179.96 1j03 n GLU 71 N 2.83 4.06 0.00 1.47 1.02 -1.26 -4.25 120.64 124.51 1j03 n GLU 71 Ca 0.51 -4.14 0.00 0.00 -0.02 0.00 0.00 57.16 53.51 1j03 n GLU 71 Cb 0.70 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 1j03 n GLU 71 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j03 n GLY 72 N -0.30 0.25 3.30 0.62 0.00 -1.26 -5.10 105.19 102.70 1j03 n GLY 72 Ca 0.49 0.00 -0.60 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 0.84 0.00 0.99 7.99 -1.26 -4.88 117.00 120.67 1j03 n LEU 73 Ca 0.00 0.72 -0.07 0.00 -0.01 0.00 0.00 56.01 56.64 1j03 n LEU 73 Cb 0.00 -0.91 0.05 0.00 -0.11 0.00 0.00 43.42 42.45 1j03 n LEU 73 CO 0.00 -0.77 0.20 0.35 -1.51 0.00 0.00 177.39 175.65 1j03 n THR 74 N 6.31 0.00 -0.11 -5.08 -2.24 -1.26 -4.62 114.28 107.27 1j03 n THR 74 Ca 0.52 -0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 61.98 1j03 n THR 74 Cb -0.03 -1.69 -0.03 0.00 -2.10 0.00 0.00 70.33 66.47 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 0.69 -0.32 -0.78 5.08 -1.95 1.30 114.58 118.59 1j03 h GLU 75 Ca -0.10 -0.30 0.07 0.00 -1.00 0.00 0.00 59.36 58.03 1j03 h GLU 75 Cb 0.29 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.45 1j03 h GLU 75 CO 0.07 0.90 -0.16 1.57 -1.00 0.00 0.00 179.01 180.39 1j03 h LYS 76 N 0.47 -0.10 0.04 2.33 2.10 -1.97 0.32 116.57 119.76 1j03 h LYS 76 Ca 0.08 0.01 -0.24 0.00 -2.00 0.00 0.00 60.65 58.50 1j03 h LYS 76 Cb 0.69 0.02 0.02 0.00 -0.90 0.00 0.00 32.23 32.06 1j03 h LYS 76 CO 0.05 -0.07 -0.95 1.05 -2.00 0.00 0.00 179.45 177.53 1j03 h GLU 77 N -0.11 0.57 -0.69 0.07 9.09 -1.78 -2.04 114.58 119.69 1j03 h GLU 77 Ca 0.17 -0.67 0.20 0.00 0.05 0.00 0.00 59.36 59.11 1j03 h GLU 77 Cb 0.36 0.20 -0.03 0.00 -1.65 0.00 0.00 28.75 27.63 1j03 h GLU 77 CO -0.39 1.27 0.54 0.82 0.05 0.00 0.00 179.01 181.30 1j03 h ILE 78 N 0.16 0.53 0.05 -1.06 1.08 0.22 7.78 117.51 126.28 1j03 h ILE 78 Ca -0.13 0.00 -0.18 0.00 -0.39 0.00 0.00 64.86 64.16 1j03 h ILE 78 Cb 1.63 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.98 1j03 h ILE 78 CO 0.18 0.00 -0.94 0.78 -0.69 0.00 0.00 178.15 177.48 1j03 h ASN 79 N 0.00 0.16 -0.03 1.72 2.35 -0.32 -2.78 115.58 116.69 1j03 h ASN 79 Ca 0.33 -0.79 -0.08 0.00 -0.55 0.00 0.00 56.30 55.21 1j03 h ASN 79 Cb 1.41 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.73 1j03 h ASN 79 CO -0.00 1.40 -0.29 0.74 -1.65 0.00 0.00 177.43 177.63 1j03 h THR 80 N -0.72 1.48 0.51 2.81 2.02 -0.21 -2.67 112.91 116.13 1j03 h THR 80 Ca -0.22 -1.82 -0.02 0.00 0.77 0.00 0.00 66.41 65.12 1j03 h THR 80 Cb 1.40 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 70.35 1j03 h THR 80 CO -0.04 0.51 -0.33 0.25 0.37 0.00 0.00 175.52 176.29 1j03 h LEU 81 N -0.33 -0.82 -0.69 2.58 7.12 1.62 0.33 115.31 125.12 1j03 h LEU 81 Ca -0.03 0.05 0.15 0.00 0.13 0.00 0.00 57.88 58.18 1j03 h LEU 81 Cb 0.98 0.25 -0.13 0.00 -0.53 0.00 0.00 40.66 41.23 1j03 h LEU 81 CO 0.06 -0.51 -0.09 0.78 -0.13 0.00 0.00 178.44 178.55 1j03 h ASN 82 N -0.80 -0.50 -0.82 1.25 -0.26 -1.48 0.89 115.58 113.87 1j03 h ASN 82 Ca -0.06 0.19 -0.01 0.00 -0.56 0.00 0.00 56.30 55.86 1j03 h ASN 82 Cb 0.66 0.38 -0.04 0.00 -1.06 0.00 0.00 38.32 38.26 1j03 h ASN 82 CO 0.05 -0.20 0.46 -0.78 -1.06 0.00 0.00 177.43 175.90 1j03 h ASP 83 N 0.04 1.02 -0.49 5.81 1.82 -1.08 -0.42 116.42 123.13 1j03 h ASP 83 Ca 0.35 -0.08 -0.02 0.00 -0.39 0.00 0.00 57.03 56.89 1j03 h ASP 83 Cb 0.57 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 40.30 1j03 h ASP 83 CO -0.67 0.82 0.24 -0.50 -1.61 0.00 0.00 179.24 177.52 1j03 h TRP 84 N 1.15 0.74 0.06 0.28 4.06 0.46 -0.36 115.95 122.34 1j03 h TRP 84 Ca 0.29 -0.03 -0.00 0.00 2.06 0.00 0.00 58.89 61.21 1j03 h TRP 84 Cb 0.02 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 27.94 1j03 h TRP 84 CO 0.01 0.56 -0.03 1.49 -3.56 0.00 0.00 178.44 176.91 1j03 h GLU 85 N 0.75 -0.08 -0.04 0.49 4.22 0.16 0.32 114.58 120.40 1j03 h GLU 85 Ca 0.18 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.62 1j03 h GLU 85 Cb 0.11 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1j03 h GLU 85 CO -0.02 0.11 -0.00 1.15 -2.18 0.00 0.00 179.01 178.07 1j03 h THR 86 N -0.25 1.03 -0.01 0.32 2.02 -0.81 3.55 112.91 118.75 1j03 h THR 86 Ca -0.01 -0.11 -0.25 0.00 0.77 0.00 0.00 66.41 66.81 1j03 h THR 86 Cb 0.22 1.01 0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1j03 h THR 86 CO 0.01 0.04 -0.98 0.11 0.37 0.00 0.00 175.52 175.07 1j03 h LYS 87 N 0.05 0.68 0.18 6.66 1.57 -0.63 0.75 116.57 125.83 1j03 h LYS 87 Ca 0.01 -0.72 -0.26 0.00 -1.87 0.00 0.00 60.65 57.81 1j03 h LYS 87 Cb 0.04 0.20 0.02 0.00 0.08 0.00 0.00 32.23 32.58 1j03 h LYS 87 CO 0.00 1.30 -1.17 0.74 -0.57 0.00 0.00 179.45 179.76 1j03 h PHE 88 N 0.36 0.68 -0.24 -1.35 -1.00 0.69 -3.17 116.94 112.90 1j03 h PHE 88 Ca -0.12 -0.49 -0.12 0.00 2.81 0.00 0.00 57.97 60.04 1j03 h PHE 88 Cb 1.64 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 41.16 1j03 h PHE 88 CO 0.11 1.45 -0.36 1.49 -1.61 0.00 0.00 178.31 179.38 1j03 h GLU 89 N -0.18 0.54 -1.03 1.51 4.22 0.65 1.96 114.58 122.26 1j03 h GLU 89 Ca -0.21 -0.25 -0.31 0.00 0.08 0.00 0.00 59.36 58.66 1j03 h GLU 89 Cb 1.85 -0.01 -0.18 0.00 0.50 0.00 0.00 28.75 30.92 1j03 h GLU 89 CO 0.18 0.82 0.39 0.00 -2.18 0.00 0.00 179.01 178.22 1j03 n ALA 90 N -2.50 4.37 0.08 2.92 0.00 0.26 -4.17 120.51 121.47 1j03 n ALA 90 Ca -0.01 -1.71 0.00 0.00 0.00 0.00 0.00 53.44 51.72 1j03 n ALA 90 Cb 0.49 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.42 0.00 -3.32 0.00 5.02 -0.94 -4.90 118.16 113.59 1j03 n LYS 91 Ca 0.35 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.26 1j03 n LYS 91 Cb 1.15 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 36.10 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 -2.00 3.62 0.21 2.13 2.02 0.66 -5.03 117.35 118.96 1j03 s TYR 92 Ca 0.00 1.01 -0.30 0.00 -0.37 0.00 0.00 57.07 57.42 1j03 s TYR 92 Cb 0.00 -2.51 -0.08 0.00 -0.40 0.00 0.00 41.96 38.96 1j03 s TYR 92 CO 0.00 0.33 1.11 -1.25 -1.57 0.00 0.00 175.55 174.17 1j03 s PRO 93 N -0.02 4.60 -0.54 -1.71 0.04 -1.23 -4.47 135.00 131.66 1j03 s PRO 93 Ca 0.27 1.75 -0.26 0.00 0.04 0.00 0.00 61.00 62.81 1j03 s PRO 93 Cb -0.16 -3.25 0.04 0.00 0.04 0.00 0.00 34.50 31.16 1j03 s PRO 93 CO 0.13 0.11 1.02 0.08 0.04 0.00 0.00 177.00 178.38 1j03 s VAL 94 N -0.51 4.29 0.05 -0.36 1.01 -1.26 0.45 120.40 124.06 1j03 s VAL 94 Ca 0.48 0.57 -0.00 0.00 0.00 0.00 0.00 61.98 63.03 1j03 s VAL 94 Cb -0.30 -4.58 -0.26 0.00 0.00 0.00 0.00 36.38 31.23 1j03 s VAL 94 CO 0.37 -1.13 1.04 -0.37 0.00 0.00 0.00 175.10 175.00 1j03 h VAL 95 N 6.08 1.38 -0.89 2.92 -1.51 -1.89 -3.49 116.25 118.85 1j03 h VAL 95 Ca -0.25 -3.02 0.00 0.00 -1.23 0.00 0.00 66.70 62.19 1j03 h VAL 95 Cb 1.07 2.82 0.00 0.00 -2.13 0.00 0.00 31.29 33.05 1j03 h VAL 95 CO 1.11 0.86 0.00 0.61 -1.23 0.00 0.00 177.57 178.91 1j03 n GLY 96 N 1.54 3.40 3.03 5.19 0.00 -1.26 -4.00 105.19 113.09 1j03 n GLY 96 Ca -0.10 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 1j03 n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j03 s ARG 97 N 1.11 0.49 0.05 1.61 1.81 -1.26 -2.74 118.95 120.01 1j03 s ARG 97 Ca 0.00 -0.58 -0.24 0.00 -1.72 0.00 0.00 55.73 53.19 1j03 s ARG 97 Cb 0.00 -0.31 -0.06 0.00 -0.45 0.00 0.00 34.95 34.13 1j03 s ARG 97 CO 0.00 0.06 0.74 0.08 -0.68 0.00 0.00 175.30 175.51 1j03 s VAL 98 N -1.00 4.73 0.00 3.52 1.01 0.17 0.41 120.40 129.24 1j03 s VAL 98 Ca -0.07 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.50 1j03 s VAL 98 Cb -0.08 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1j03 s VAL 98 CO 0.00 0.38 0.00 1.33 0.00 0.00 0.00 175.10 176.81 1j03 n VAL 99 N 2.71 0.00 1.91 2.92 0.24 -1.08 -4.69 118.33 120.33 1j03 n VAL 99 Ca -0.03 0.00 0.16 0.00 -2.04 0.00 0.00 64.34 62.42 1j03 n VAL 99 Cb 0.50 -0.03 0.87 0.00 -1.47 0.00 0.00 33.84 33.71 1j03 n VAL 99 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49