#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 -0.33 0.24 1.61 -0.04 -1.26 -4.92 135.00 130.30 1j03 n PRO 0 Ca 0.00 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.55 1j03 n PRO 0 Cb 0.00 0.00 0.59 0.00 -0.04 0.00 0.00 33.50 34.05 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 -4.55 0.54 2.86 -1.93 -3.48 114.93 108.37 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 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1j03 h MET 1 CO 0.00 0.18 -0.80 0.39 1.06 0.00 0.00 176.91 177.74 1j03 n GLU 2 N -3.94 -4.28 -4.28 1.72 1.02 -1.26 -4.97 120.64 104.65 1j03 n GLU 2 Ca -0.02 3.09 -0.34 0.00 -0.02 0.00 0.00 57.16 59.87 1j03 n GLU 2 Cb 0.27 -3.90 -0.12 0.00 -0.02 0.00 0.00 31.44 27.67 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 -0.48 3.07 0.39 -0.32 0.08 -1.16 -4.86 117.98 114.70 1j03 s PHE 3 Ca 0.00 -0.24 -0.24 0.00 0.12 0.00 0.00 56.93 56.57 1j03 s PHE 3 Cb 0.00 -2.00 -0.09 0.00 -0.57 0.00 0.00 43.02 40.36 1j03 s PHE 3 CO 0.00 -0.02 1.02 0.95 -0.10 0.00 0.00 175.22 177.07 1j03 s THR 4 N 0.43 3.88 0.58 0.64 -4.23 -1.26 -2.47 115.64 113.21 1j03 s THR 4 Ca -0.02 1.41 0.29 0.00 -1.18 0.00 0.00 61.69 62.19 1j03 s THR 4 Cb -0.14 -3.72 0.39 0.00 1.34 0.00 0.00 72.50 70.37 1j03 s THR 4 CO 0.02 -0.01 1.93 0.00 -0.54 0.00 0.00 174.62 176.02 1j03 h ALA 5 N 2.51 2.21 -0.08 3.99 0.00 -1.91 1.12 119.26 127.12 1j03 h ALA 5 Ca -0.48 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1j03 h ALA 5 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1j03 h ALA 5 CO 0.62 -0.69 -0.15 0.93 0.00 0.00 0.00 179.25 179.96 1j03 h GLU 6 N 0.00 0.25 -0.06 0.00 5.08 -1.96 -1.07 114.58 116.82 1j03 h GLU 6 Ca 0.22 -0.16 -0.22 0.00 -1.00 0.00 0.00 59.36 58.20 1j03 h GLU 6 Cb 1.13 0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.41 1j03 h GLU 6 CO -0.00 0.74 -0.84 1.96 -1.00 0.00 0.00 179.01 179.88 1j03 h GLN 7 N -0.22 0.67 -0.64 2.33 1.08 -1.05 -3.15 115.11 114.13 1j03 h GLN 7 Ca 0.00 -0.64 0.01 0.00 -1.45 0.00 0.00 58.65 56.57 1j03 h GLN 7 Cb 0.73 0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 28.30 1j03 h GLN 7 CO 0.03 1.24 0.42 1.25 -0.95 0.00 0.00 178.83 180.83 1j03 h LEU 8 N 0.33 0.73 0.00 1.46 5.85 0.11 0.31 115.31 124.09 1j03 h LEU 8 Ca -0.09 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1j03 h LEU 8 Cb 1.49 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1j03 h LEU 8 CO 0.17 0.52 0.00 -0.24 -0.34 0.00 0.00 178.44 178.55 1j03 n SER 9 N -4.44 0.00 0.05 1.25 2.88 -0.40 -1.59 113.62 111.36 1j03 n SER 9 Ca 0.06 0.28 -0.04 0.00 -1.33 0.00 0.00 58.87 57.85 1j03 n SER 9 Cb 0.04 -0.38 -0.09 0.00 -0.75 0.00 0.00 64.21 63.04 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 -2.54 -1.46 1.08 -0.39 -3.38 115.11 108.43 1j03 h GLN 10 Ca 0.00 0.00 -0.78 0.00 -1.45 0.00 0.00 58.65 56.42 1j03 h GLN 10 Cb 0.17 0.00 -0.29 0.00 -0.05 0.00 0.00 27.48 27.30 1j03 h GLN 10 CO 0.00 0.58 0.71 0.66 -0.95 0.00 0.00 178.83 179.83 1j03 n TYR 11 N -3.12 2.67 -0.26 2.96 4.01 -0.62 -4.58 117.16 118.22 1j03 n TYR 11 Ca -0.07 -2.76 0.06 0.00 -0.16 0.00 0.00 57.90 54.97 1j03 n TYR 11 Cb 0.90 -1.13 0.15 0.00 -0.31 0.00 0.00 39.34 38.95 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 0.59 2.96 -2.29 7.72 0.23 -1.16 -0.34 115.26 122.97 1j03 n ASN 12 Ca 0.36 -2.12 -0.00 0.00 -0.53 0.00 0.00 54.58 52.28 1j03 n ASN 12 Cb 0.31 -0.25 -0.00 0.00 -2.08 0.00 0.00 39.78 37.75 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 0.31 -3.90 0.00 4.83 0.00 -1.20 -3.95 105.19 101.29 1j03 n GLY 13 Ca 0.12 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 0.54 0.00 0.00 2.61 5.66 -1.26 0.17 114.28 122.00 1j03 n THR 14 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1j03 n THR 14 Cb 0.05 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 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 0.00 -0.01 -0.08 1.09 2.03 -1.26 -4.98 116.55 113.33 1j03 n ASP 15 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 1j03 n ASP 15 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 1j03 n ASP 15 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1j03 h GLU 16 N 0.00 0.00 -2.03 -0.67 3.07 -2.01 -3.43 114.58 109.51 1j03 h GLU 16 Ca 0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.34 1j03 h GLU 16 Cb 0.00 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 27.50 1j03 h GLU 16 CO 0.00 0.39 -0.99 0.43 -1.40 0.00 0.00 179.01 177.44 1j03 n SER 17 N -4.56 2.28 -4.25 1.42 7.64 -1.26 -5.07 113.62 109.82 1j03 n SER 17 Ca -0.16 -3.26 -0.31 0.00 1.01 0.00 0.00 58.87 56.15 1j03 n SER 17 Cb 0.41 -0.59 -0.16 0.00 -1.01 0.00 0.00 64.21 62.86 1j03 n SER 17 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1j03 s LYS 18 N -2.87 2.45 0.06 1.43 -0.14 -1.26 -5.10 119.74 114.31 1j03 s LYS 18 Ca 0.43 -0.87 -0.01 0.00 -1.36 0.00 0.00 55.97 54.15 1j03 s LYS 18 Cb 0.33 -2.09 0.02 0.00 -1.68 0.00 0.00 37.83 34.41 1j03 s LYS 18 CO -0.10 0.37 0.07 -0.35 -0.76 0.00 0.00 175.35 174.58 1j03 n PRO 19 N 2.96 -0.60 -3.95 -1.68 -0.04 -1.26 -4.46 135.00 125.97 1j03 n PRO 19 Ca -0.17 -0.11 -0.31 0.00 -0.04 0.00 0.00 63.50 62.87 1j03 n PRO 19 Cb 0.52 -0.09 -0.15 0.00 -0.04 0.00 0.00 33.50 33.74 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 -1.14 1.83 -0.06 0.52 1.01 -1.24 -2.98 121.20 119.14 1j03 s ILE 20 Ca 0.04 -1.89 0.06 0.00 0.00 0.00 0.00 60.65 58.86 1j03 s ILE 20 Cb -0.00 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 1j03 s ILE 20 CO 0.03 -0.49 -0.25 -0.31 0.00 0.00 0.00 174.94 173.93 1j03 s TYR 21 N 1.16 2.44 0.09 3.97 2.02 0.54 -3.33 117.35 124.24 1j03 s TYR 21 Ca 0.06 -0.78 0.07 0.00 -0.37 0.00 0.00 57.07 56.06 1j03 s TYR 21 Cb -0.19 -1.61 -0.04 0.00 -0.40 0.00 0.00 41.96 39.73 1j03 s TYR 21 CO -0.11 -0.25 -0.13 0.08 -1.57 0.00 0.00 175.55 173.56 1j03 s VAL 22 N -0.07 3.18 -0.14 0.71 1.01 0.06 -2.97 120.40 122.17 1j03 s VAL 22 Ca -0.06 -1.27 -0.03 0.00 0.00 0.00 0.00 61.98 60.62 1j03 s VAL 22 Cb -0.14 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 1j03 s VAL 22 CO 0.05 0.17 -0.04 0.00 0.00 0.00 0.00 175.10 175.27 1j03 s ALA 23 N -1.13 3.00 -0.19 5.51 0.00 -1.19 0.24 121.76 128.00 1j03 s ALA 23 Ca 0.19 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 1j03 s ALA 23 Cb -0.11 -1.52 0.06 0.00 0.00 0.00 0.00 23.12 21.56 1j03 s ALA 23 CO 0.11 0.27 0.06 0.42 0.00 0.00 0.00 175.76 176.62 1j03 s ILE 24 N 0.20 0.23 -0.34 0.00 1.01 0.16 -2.94 121.20 119.51 1j03 s ILE 24 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.23 1j03 s ILE 24 Cb -0.14 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.50 1j03 s ILE 24 CO 0.03 -0.27 0.00 0.29 0.00 0.00 0.00 174.94 174.99 1j03 n LYS 25 N 5.16 -1.06 0.00 2.79 5.02 -1.26 -1.36 118.16 127.45 1j03 n LYS 25 Ca -0.08 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1j03 n LYS 25 Cb 0.48 -4.36 0.00 0.00 -0.02 0.00 0.00 35.03 31.13 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 -0.93 1.00 3.34 0.72 0.00 -1.26 -4.88 105.19 103.19 1j03 n GLY 26 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.60 3.36 -0.19 1.61 3.52 -0.46 0.20 118.95 126.39 1j03 s ARG 27 Ca 0.00 -0.68 -0.28 0.00 -0.13 0.00 0.00 55.73 54.64 1j03 s ARG 27 Cb 0.00 -2.71 -0.00 0.00 -1.56 0.00 0.00 34.95 30.68 1j03 s ARG 27 CO 0.00 0.09 0.98 0.08 -0.81 0.00 0.00 175.30 175.64 1j03 s VAL 28 N 0.67 4.75 0.26 7.11 1.01 0.10 0.37 120.40 134.67 1j03 s VAL 28 Ca -0.06 1.93 0.10 0.00 0.00 0.00 0.00 61.98 63.96 1j03 s VAL 28 Cb -0.15 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 1j03 s VAL 28 CO 0.02 -0.09 -0.08 -0.36 0.00 0.00 0.00 175.10 174.60 1j03 s PHE 29 N 2.69 2.57 -0.23 5.22 0.08 0.65 -2.84 117.98 126.12 1j03 s PHE 29 Ca 0.44 -0.25 -0.09 0.00 0.12 0.00 0.00 56.93 57.14 1j03 s PHE 29 Cb -0.16 -1.15 -0.04 0.00 -0.57 0.00 0.00 43.02 41.09 1j03 s PHE 29 CO 0.10 0.63 0.12 0.34 -0.10 0.00 0.00 175.22 176.32 1j03 s ASP 30 N -3.48 5.85 0.00 1.36 -1.08 0.64 -0.76 116.67 119.20 1j03 s ASP 30 Ca 0.30 0.05 0.00 0.00 -0.52 0.00 0.00 52.55 52.38 1j03 s ASP 30 Cb -0.06 -2.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.35 1j03 s ASP 30 CO 0.18 0.07 0.61 1.33 0.52 0.00 0.00 175.17 177.88 1j03 n VAL 31 N 4.22 0.37 0.06 1.11 0.24 -1.21 -3.43 118.33 119.68 1j03 n VAL 31 Ca -0.16 -0.49 0.21 0.00 -2.04 0.00 0.00 64.34 61.87 1j03 n VAL 31 Cb 0.52 0.97 0.72 0.00 -1.47 0.00 0.00 33.84 34.57 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 0.85 0.33 0.00 3.34 1.03 -1.91 0.36 112.91 116.91 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 0.50 0.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.15 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 -3.66 1.47 -2.70 0.00 -2.24 -1.26 -1.76 114.28 104.14 1j03 n THR 33 Ca 0.09 0.45 -0.05 0.00 -2.27 0.00 0.00 64.05 62.27 1j03 n THR 33 Cb 0.72 -1.45 0.10 0.00 -2.10 0.00 0.00 70.33 67.60 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 -1.36 1.64 0.41 3.38 0.00 0.13 -4.93 105.19 104.45 1j03 n GLY 34 Ca 0.00 -0.46 0.20 0.00 0.00 0.00 0.00 46.02 45.76 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 1.96 0.00 0.00 1.61 2.10 -1.31 1.02 116.57 121.94 1j03 h LYS 35 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1j03 h LYS 35 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1j03 h LYS 35 CO 0.03 0.00 0.11 0.77 -2.00 0.00 0.00 179.45 178.36 1j03 h SER 36 N 0.00 0.00 0.00 7.07 0.02 -1.89 5.03 113.55 123.78 1j03 h SER 36 Ca 0.21 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.91 1j03 h SER 36 Cb 1.47 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.96 1j03 h SER 36 CO -0.00 0.00 -1.92 0.49 -1.14 0.00 0.00 176.83 174.25 1j03 n PHE 37 N -2.59 0.00 -0.06 3.45 3.72 0.35 -4.26 117.46 118.07 1j03 n PHE 37 Ca -0.02 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.19 1j03 n PHE 37 Cb 0.16 -0.61 -0.13 0.00 -0.94 0.00 0.00 39.48 37.95 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 -3.23 0.68 -0.56 1.38 4.01 -0.91 0.34 117.16 118.88 1j03 n TYR 38 Ca -0.30 0.15 -0.15 0.00 -0.16 0.00 0.00 57.90 57.44 1j03 n TYR 38 Cb 0.78 -1.09 0.12 0.00 -0.31 0.00 0.00 39.34 38.84 1j03 n TYR 38 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1j03 n GLY 39 N 2.07 -2.28 3.09 2.72 0.00 1.64 -4.45 105.19 107.98 1j03 n GLY 39 Ca -0.37 -0.70 -0.50 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.60 -0.32 -3.04 1.61 3.41 0.45 -2.50 113.62 112.63 1j03 n SER 40 Ca 0.05 1.03 -0.26 0.00 -0.26 0.00 0.00 58.87 59.43 1j03 n SER 40 Cb 0.30 -0.83 0.03 0.00 -0.26 0.00 0.00 64.21 63.45 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 1.46 0.13 3.34 5.00 0.00 -1.26 -4.94 105.19 108.91 1j03 n GLY 41 Ca 0.17 0.76 -0.17 0.00 0.00 0.00 0.00 46.02 46.78 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 -1.13 1.98 0.22 -0.02 0.00 -1.04 -4.91 107.32 102.41 1j03 s GLY 42 Ca 0.25 -1.86 -0.14 0.00 0.00 0.00 0.00 44.72 42.97 1j03 s GLY 42 CO 0.57 -1.32 1.61 -0.55 0.00 0.00 0.00 173.10 173.41 1j03 h ASP 43 N 2.18 -0.77 -1.93 1.64 5.19 0.55 -0.18 116.42 123.10 1j03 h ASP 43 Ca -0.27 0.21 -0.76 0.00 -0.62 0.00 0.00 57.03 55.59 1j03 h ASP 43 Cb 1.24 0.47 -0.24 0.00 0.18 0.00 0.00 39.33 40.97 1j03 h ASP 43 CO 0.39 -0.25 1.20 -1.22 -3.12 0.00 0.00 179.24 176.24 1j03 n TYR 44 N -5.46 2.70 0.07 4.55 4.01 0.52 -4.62 117.16 118.93 1j03 n TYR 44 Ca 0.08 -2.49 -0.07 0.00 -0.16 0.00 0.00 57.90 55.26 1j03 n TYR 44 Cb 0.36 -1.31 0.07 0.00 -0.31 0.00 0.00 39.34 38.15 1j03 n TYR 44 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1j03 h SER 45 N 3.86 0.34 1.50 7.72 0.02 -1.15 0.01 113.55 125.84 1j03 h SER 45 Ca 0.56 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 61.23 1j03 h SER 45 Cb 0.27 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1j03 h SER 45 CO 1.27 0.92 -0.51 0.00 -1.14 0.00 0.00 176.83 177.37 1j03 h MET 46 N 0.20 0.00 0.11 3.45 -0.00 -1.84 -3.30 114.93 113.56 1j03 h MET 46 Ca -0.02 0.00 -0.30 0.00 -0.00 0.00 0.00 59.70 59.38 1j03 h MET 46 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.82 1j03 h MET 46 CO 0.11 0.25 -1.52 0.74 -0.00 0.00 0.00 176.91 176.48 1j03 h PHE 47 N 0.00 0.44 -1.82 -0.10 0.04 -1.81 -3.43 116.94 110.26 1j03 h PHE 47 Ca -0.02 -0.32 -0.66 0.00 2.80 0.00 0.00 57.97 59.77 1j03 h PHE 47 Cb 1.23 -0.02 0.08 0.00 2.20 0.00 0.00 35.95 39.45 1j03 h PHE 47 CO 0.00 1.37 0.18 0.00 -0.60 0.00 0.00 178.31 179.26 1j03 n ALA 48 N -2.66 -1.15 -2.89 2.45 0.00 -0.02 0.63 120.51 116.87 1j03 n ALA 48 Ca -0.16 0.47 -0.17 0.00 0.00 0.00 0.00 53.44 53.58 1j03 n ALA 48 Cb 1.04 -1.97 -0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 1.93 -0.49 3.43 0.00 0.00 -1.16 -4.79 105.19 104.11 1j03 n GLY 49 Ca 0.15 0.04 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 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 -5.51 1.01 -0.80 1.61 1.02 0.21 -3.71 119.74 113.56 1j03 s LYS 50 Ca 0.20 -0.02 -0.20 0.00 0.02 0.00 0.00 55.97 55.97 1j03 s LYS 50 Cb -0.10 0.47 0.12 0.00 -0.52 0.00 0.00 37.83 37.79 1j03 s LYS 50 CO 0.24 -0.34 1.00 0.34 -0.92 0.00 0.00 175.35 175.68 1j03 s ASP 51 N -1.57 6.45 -0.21 2.83 -1.08 -1.26 -3.19 116.67 118.65 1j03 s ASP 51 Ca -0.09 -1.71 -0.05 0.00 -0.52 0.00 0.00 52.55 50.19 1j03 s ASP 51 Cb -0.01 -2.38 -0.12 0.00 -1.46 0.00 0.00 42.92 38.95 1j03 s ASP 51 CO 0.04 -1.15 3.24 0.00 0.52 0.00 0.00 175.17 177.82 1j03 n ALA 52 N 6.70 6.41 -0.03 3.66 0.00 -1.15 0.18 120.51 136.28 1j03 n ALA 52 Ca 0.11 -2.38 -0.15 0.00 0.00 0.00 0.00 53.44 51.02 1j03 n ALA 52 Cb 0.47 -2.24 -0.11 0.00 0.00 0.00 0.00 19.45 17.57 1j03 n ALA 52 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j03 h SER 53 N 2.99 0.23 -0.16 0.00 4.64 -1.73 -1.93 113.55 117.59 1j03 h SER 53 Ca 0.28 -0.76 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 1j03 h SER 53 Cb 1.16 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1j03 h SER 53 CO 0.52 0.96 0.05 0.03 -0.87 0.00 0.00 176.83 177.52 1j03 h ARG 54 N -0.48 0.24 -0.91 4.77 3.08 -1.77 -2.14 114.38 117.17 1j03 h ARG 54 Ca -0.03 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.02 1j03 h ARG 54 Cb 0.99 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.94 1j03 h ARG 54 CO 0.05 0.36 0.59 0.00 -1.07 0.00 0.00 179.97 179.89 1j03 h ALA 55 N 0.88 1.23 -0.78 0.04 0.00 -1.72 0.12 119.26 119.02 1j03 h ALA 55 Ca 0.05 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1j03 h ALA 55 Cb 0.21 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1j03 h ALA 55 CO -0.00 0.40 0.51 -0.07 0.00 0.00 0.00 179.25 180.09 1j03 h LEU 56 N 1.10 0.74 0.00 0.00 4.07 -1.02 2.10 115.31 122.31 1j03 h LEU 56 Ca 0.38 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.34 1j03 h LEU 56 Cb 0.08 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.67 1j03 h LEU 56 CO -0.15 0.48 0.00 0.61 -1.08 0.00 0.00 178.44 178.31 1j03 n GLY 57 N -1.43 -1.97 0.33 0.83 0.00 -0.01 -3.49 105.19 99.45 1j03 n GLY 57 Ca 0.11 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.30 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 -4.03 1.61 1.57 -1.50 -3.41 116.57 110.81 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 0.09 0.00 0.08 0.00 0.00 32.23 32.40 1j03 h LYS 58 CO 0.00 0.00 -0.43 -1.33 -0.57 0.00 0.00 179.45 177.12 1j03 n MET 59 N -3.87 -3.56 -0.01 3.15 2.81 0.71 -4.95 117.12 111.39 1j03 n MET 59 Ca 0.02 0.47 0.08 0.00 -1.81 0.00 0.00 57.70 56.46 1j03 n MET 59 Cb 0.33 -4.34 -0.12 0.00 -0.71 0.00 0.00 33.22 28.37 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 -2.19 1.13 -0.70 7.83 2.88 -0.96 -4.96 113.62 116.65 1j03 n SER 60 Ca -0.16 -0.20 -0.09 0.00 -1.33 0.00 0.00 58.87 57.09 1j03 n SER 60 Cb 0.59 1.58 -0.04 0.00 -0.75 0.00 0.00 64.21 65.59 1j03 n SER 60 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1j03 n LYS 61 N -1.91 -1.74 -1.87 -1.46 5.02 -1.26 -4.90 118.16 110.04 1j03 n LYS 61 Ca -0.02 0.82 -0.41 0.00 -2.02 0.00 0.00 58.31 56.68 1j03 n LYS 61 Cb 0.39 -5.26 -0.01 0.00 -0.02 0.00 0.00 35.03 30.13 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 -2.34 6.43 0.51 4.39 -0.87 -1.26 -4.82 114.94 116.99 1j03 s ASN 62 Ca 0.00 2.97 0.30 0.00 -1.57 0.00 0.00 52.86 54.57 1j03 s ASN 62 Cb 0.00 -2.66 1.12 0.00 -0.02 0.00 0.00 41.25 39.69 1j03 s ASN 62 CO 0.00 -0.80 1.89 -0.08 -2.57 0.00 0.00 177.10 175.54 1j03 h GLU 63 N 3.12 0.00 0.00 -0.60 4.81 -1.90 -2.54 114.58 117.47 1j03 h GLU 63 Ca -0.50 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.67 1j03 h GLU 63 Cb 1.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1j03 h GLU 63 CO 0.65 0.04 -1.13 0.93 -0.73 0.00 0.00 179.01 178.77 1j03 h GLU 64 N 0.00 0.00 -0.05 1.92 4.39 -1.95 -3.35 114.58 115.54 1j03 h GLU 64 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1j03 h GLU 64 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1j03 h GLU 64 CO 0.01 0.11 -0.14 -0.44 -1.16 0.00 0.00 179.01 177.39 1j03 h ASP 65 N 0.00 0.21 -1.39 1.42 5.19 -1.83 -3.44 116.42 116.57 1j03 h ASP 65 Ca -0.06 -0.60 -0.74 0.00 -0.62 0.00 0.00 57.03 55.01 1j03 h ASP 65 Cb 1.21 -0.06 0.01 0.00 0.18 0.00 0.00 39.33 40.67 1j03 h ASP 65 CO 0.02 0.77 0.98 0.55 -3.12 0.00 0.00 179.24 178.44 1j03 n VAL 66 N -4.63 0.27 -4.11 -1.35 3.14 -1.05 -4.17 118.33 106.43 1j03 n VAL 66 Ca -0.08 -0.07 -0.17 0.00 -2.96 0.00 0.00 64.34 61.06 1j03 n VAL 66 Cb 0.38 -1.21 -0.15 0.00 -1.06 0.00 0.00 33.84 31.80 1j03 n VAL 66 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1j03 s SER 67 N 4.11 0.61 0.00 6.55 0.15 0.48 -4.78 113.70 120.82 1j03 s SER 67 Ca 1.01 -0.09 0.07 0.00 0.70 0.00 0.00 55.95 57.65 1j03 s SER 67 Cb -1.09 -0.16 0.43 0.00 -1.71 0.00 0.00 66.02 63.50 1j03 s SER 67 CO 0.65 0.01 1.07 -0.81 1.20 0.00 0.00 173.24 175.36 1j03 n PRO 68 N 3.36 0.75 -3.77 5.44 -0.04 -1.25 -4.12 135.00 135.37 1j03 n PRO 68 Ca -0.18 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.15 1j03 n PRO 68 Cb 0.55 -1.15 -0.13 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.48 -0.17 -0.11 3.54 1.04 -1.26 -4.39 113.70 110.88 1j03 s SER 69 Ca 0.11 0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.94 1j03 s SER 69 Cb 0.05 0.29 0.28 0.00 0.10 0.00 0.00 66.02 66.74 1j03 s SER 69 CO 0.08 -0.12 1.07 0.00 0.98 0.00 0.00 173.24 175.26 1j03 n LEU 70 N 3.78 3.24 -3.05 2.42 -0.00 -1.26 -4.66 117.00 117.48 1j03 n LEU 70 Ca -0.21 -1.66 -0.16 0.00 -0.00 0.00 0.00 56.01 53.98 1j03 n LEU 70 Cb 0.54 -0.59 -0.02 0.00 -0.00 0.00 0.00 43.42 43.36 1j03 n LEU 70 CO 0.18 0.49 1.96 -0.62 -0.00 0.00 0.00 177.39 179.40 1j03 n GLU 71 N 0.13 1.56 0.00 1.47 1.02 -1.26 -1.65 120.64 121.91 1j03 n GLU 71 Ca 0.14 -1.17 0.00 0.00 -0.02 0.00 0.00 57.16 56.11 1j03 n GLU 71 Cb 0.70 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 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 3.71 0.30 3.43 0.62 0.00 -1.26 -5.11 105.19 106.89 1j03 n GLY 72 Ca 0.33 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.80 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 1.72 0.00 0.99 4.32 -0.66 -4.91 117.00 118.46 1j03 n LEU 73 Ca 0.00 0.61 -0.04 0.00 -0.02 0.00 0.00 56.01 56.56 1j03 n LEU 73 Cb 0.00 -1.12 0.03 0.00 -1.62 0.00 0.00 43.42 40.71 1j03 n LEU 73 CO 0.00 -0.70 0.12 0.35 -1.22 0.00 0.00 177.39 175.94 1j03 n THR 74 N 6.53 0.00 -0.11 -5.08 -2.24 -1.26 -4.65 114.28 107.46 1j03 n THR 74 Ca 0.43 -0.13 -0.12 0.00 -2.27 0.00 0.00 64.05 61.96 1j03 n THR 74 Cb 0.12 -1.78 -0.03 0.00 -2.10 0.00 0.00 70.33 66.54 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 0.72 -0.30 -0.78 5.08 -1.96 0.92 114.58 118.27 1j03 h GLU 75 Ca -0.06 -0.33 0.07 0.00 -1.00 0.00 0.00 59.36 58.04 1j03 h GLU 75 Cb 0.17 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.33 1j03 h GLU 75 CO 0.04 0.93 -0.19 1.57 -1.00 0.00 0.00 179.01 180.37 1j03 h LYS 76 N 0.49 -0.15 -0.05 2.33 2.10 -1.98 1.62 116.57 120.94 1j03 h LYS 76 Ca 0.07 0.01 -0.22 0.00 -2.00 0.00 0.00 60.65 58.51 1j03 h LYS 76 Cb 0.73 0.03 0.02 0.00 -0.90 0.00 0.00 32.23 32.11 1j03 h LYS 76 CO 0.05 -0.10 -0.84 1.05 -2.00 0.00 0.00 179.45 177.61 1j03 h GLU 77 N -0.16 0.66 -0.20 0.07 9.09 -1.79 -3.02 114.58 119.23 1j03 h GLU 77 Ca 0.16 -0.64 0.04 0.00 0.05 0.00 0.00 59.36 58.96 1j03 h GLU 77 Cb 0.39 0.17 -0.03 0.00 -1.65 0.00 0.00 28.75 27.63 1j03 h GLU 77 CO -0.39 1.24 -0.02 0.82 0.05 0.00 0.00 179.01 180.71 1j03 h ILE 78 N 0.32 0.83 -0.55 -1.06 1.08 0.15 8.37 117.51 126.65 1j03 h ILE 78 Ca -0.09 -0.01 0.11 0.00 -0.39 0.00 0.00 64.86 64.47 1j03 h ILE 78 Cb 1.50 0.80 -0.08 0.00 -3.07 0.00 0.00 36.82 35.96 1j03 h ILE 78 CO 0.17 0.01 0.07 0.78 -0.69 0.00 0.00 178.15 178.48 1j03 h ASN 79 N 0.03 -0.10 0.00 1.72 2.35 0.23 2.97 115.58 122.79 1j03 h ASN 79 Ca 0.10 0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 1j03 h ASN 79 Cb 0.13 0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 1j03 h ASN 79 CO -0.18 -0.03 -0.08 0.74 -1.65 0.00 0.00 177.43 176.23 1j03 h THR 80 N 0.19 1.75 0.63 2.81 2.02 -1.18 -2.95 112.91 116.18 1j03 h THR 80 Ca 0.29 -2.34 -0.02 0.00 0.77 0.00 0.00 66.41 65.10 1j03 h THR 80 Cb 0.43 3.33 -0.01 0.00 -1.74 0.00 0.00 68.15 70.16 1j03 h THR 80 CO -0.41 0.59 -0.44 0.25 0.37 0.00 0.00 175.52 175.89 1j03 h LEU 81 N -0.99 -1.13 -1.46 2.58 7.12 1.82 1.23 115.31 124.48 1j03 h LEU 81 Ca -0.02 0.07 0.27 0.00 0.13 0.00 0.00 57.88 58.33 1j03 h LEU 81 Cb 1.02 0.34 -0.09 0.00 -0.53 0.00 0.00 40.66 41.41 1j03 h LEU 81 CO -0.01 -0.65 0.68 -1.13 -0.13 0.00 0.00 178.44 177.20 1j03 h ASN 82 N -1.02 0.38 0.63 1.25 -0.73 0.53 1.18 115.58 117.80 1j03 h ASN 82 Ca -0.08 0.07 -0.21 0.00 1.87 0.00 0.00 56.30 57.95 1j03 h ASN 82 Cb 0.84 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.43 1j03 h ASN 82 CO 0.05 0.08 -0.95 0.44 -0.37 0.00 0.00 177.43 176.67 1j03 h ASP 83 N 0.34 0.26 -0.09 1.15 5.19 -1.06 -2.99 116.42 119.22 1j03 h ASP 83 Ca 0.58 -0.23 0.01 0.00 -0.62 0.00 0.00 57.03 56.76 1j03 h ASP 83 Cb 1.58 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 41.00 1j03 h ASP 83 CO -0.25 1.07 0.06 -0.50 -3.12 0.00 0.00 179.24 176.51 1j03 h TRP 84 N 0.09 0.09 0.15 4.55 4.06 1.07 -1.33 115.95 124.62 1j03 h TRP 84 Ca -0.06 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.89 1j03 h TRP 84 Cb 1.62 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 29.75 1j03 h TRP 84 CO 0.03 0.05 -0.07 1.49 -3.56 0.00 0.00 178.44 176.38 1j03 h GLU 85 N 0.09 -0.20 -0.15 0.49 4.22 -0.97 0.40 114.58 118.47 1j03 h GLU 85 Ca 0.04 0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.53 1j03 h GLU 85 Cb 0.03 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1j03 h GLU 85 CO -0.01 0.07 0.11 1.15 -2.18 0.00 0.00 179.01 178.15 1j03 h THR 86 N -0.46 0.94 0.12 0.32 2.02 -1.37 4.86 112.91 119.34 1j03 h THR 86 Ca -0.02 -0.01 -0.28 0.00 0.77 0.00 0.00 66.41 66.87 1j03 h THR 86 Cb 0.36 0.91 0.03 0.00 -1.74 0.00 0.00 68.15 67.71 1j03 h THR 86 CO 0.03 0.01 -1.16 0.11 0.37 0.00 0.00 175.52 174.88 1j03 h LYS 87 N 0.03 0.58 0.23 6.66 1.57 -0.95 -0.57 116.57 124.11 1j03 h LYS 87 Ca 0.07 -0.78 -0.34 0.00 -1.87 0.00 0.00 60.65 57.74 1j03 h LYS 87 Cb 0.24 0.26 0.03 0.00 0.08 0.00 0.00 32.23 32.84 1j03 h LYS 87 CO -0.00 1.35 -1.52 0.74 -0.57 0.00 0.00 179.45 179.44 1j03 h PHE 88 N 0.18 0.88 -0.12 -1.35 -1.00 0.11 -3.12 116.94 112.53 1j03 h PHE 88 Ca -0.18 -0.64 -0.14 0.00 2.81 0.00 0.00 57.97 59.82 1j03 h PHE 88 Cb 1.85 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 41.36 1j03 h PHE 88 CO 0.13 1.56 -0.52 1.49 -1.61 0.00 0.00 178.31 179.36 1j03 h GLU 89 N 0.13 0.33 -0.79 1.51 4.22 0.95 3.47 114.58 124.40 1j03 h GLU 89 Ca -0.27 -0.19 0.00 0.00 0.08 0.00 0.00 59.36 58.98 1j03 h GLU 89 Cb 2.14 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.41 1j03 h GLU 89 CO 0.25 0.77 0.00 0.00 -2.18 0.00 0.00 179.01 177.85 1j03 n ALA 90 N -2.48 3.15 0.15 2.92 0.00 -0.22 -4.32 120.51 119.71 1j03 n ALA 90 Ca -0.02 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1j03 n ALA 90 Cb 0.56 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 0.30 0.00 -3.05 0.00 5.02 -0.90 -4.96 118.16 114.58 1j03 n LYS 91 Ca 0.13 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 56.02 1j03 n LYS 91 Cb 0.70 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.66 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 -1.85 3.53 0.27 2.13 2.02 1.15 -5.02 117.35 119.58 1j03 s TYR 92 Ca 0.00 1.19 -0.30 0.00 -0.37 0.00 0.00 57.07 57.60 1j03 s TYR 92 Cb 0.00 -2.82 -0.09 0.00 -0.40 0.00 0.00 41.96 38.65 1j03 s TYR 92 CO 0.00 0.02 1.08 -1.25 -1.57 0.00 0.00 175.55 173.83 1j03 s PRO 93 N 1.08 4.67 -0.44 -1.71 0.04 -1.22 -4.22 135.00 133.19 1j03 s PRO 93 Ca 0.36 1.77 -0.20 0.00 0.04 0.00 0.00 61.00 62.97 1j03 s PRO 93 Cb -0.17 -3.20 0.03 0.00 0.04 0.00 0.00 34.50 31.19 1j03 s PRO 93 CO 0.16 0.25 0.60 0.54 0.04 0.00 0.00 177.00 178.59 1j03 s VAL 94 N -1.16 4.89 -2.34 -0.36 0.11 -1.26 0.23 120.40 120.51 1j03 s VAL 94 Ca 0.44 -0.06 0.23 0.00 -2.93 0.00 0.00 61.98 59.66 1j03 s VAL 94 Cb -0.31 -4.19 0.49 0.00 -1.53 0.00 0.00 36.38 30.85 1j03 s VAL 94 CO 0.40 -0.59 1.62 1.33 -3.33 0.00 0.00 175.10 174.53 1j03 n VAL 95 N 5.74 0.14 0.00 2.04 0.24 -1.13 -4.96 118.33 120.40 1j03 n VAL 95 Ca -0.03 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 1j03 n VAL 95 Cb 0.47 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 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 1.14 0.45 3.08 7.63 0.00 -1.24 -4.54 105.19 111.72 1j03 n GLY 96 Ca 0.17 -1.04 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 1j03 n GLY 96 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1j03 s ARG 97 N -2.00 2.28 0.43 1.61 6.06 -1.26 0.00 118.95 126.07 1j03 s ARG 97 Ca 0.00 -0.59 -0.22 0.00 -2.50 0.00 0.00 55.73 52.42 1j03 s ARG 97 Cb 0.00 -1.87 -0.13 0.00 0.06 0.00 0.00 34.95 33.01 1j03 s ARG 97 CO 0.00 0.00 0.41 0.28 -2.50 0.00 0.00 175.30 173.50 1j03 n VAL 98 N 3.98 1.49 0.05 7.11 0.31 0.55 -3.01 118.33 128.80 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 0.52 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 1j03 n VAL 98 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1j03 n VAL 99 N -0.99 0.00 -0.56 2.52 3.14 -1.03 -4.78 118.33 116.62 1j03 n VAL 99 Ca 0.11 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 1j03 n VAL 99 Cb 0.40 -0.21 0.00 0.00 -1.06 0.00 0.00 33.84 32.97 1j03 n VAL 99 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13