#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 0.91 0.07 1.61 -0.04 -1.26 -4.96 135.00 131.34 1j03 n PRO 0 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 1j03 n PRO 0 Cb 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.49 1j03 n PRO 0 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1j03 h MET 1 N 0.00 0.28 -4.60 0.54 2.86 -1.95 -3.49 114.93 108.58 1j03 h MET 1 Ca 0.00 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1j03 h MET 1 Cb 0.00 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1j03 h MET 1 CO 0.00 0.92 -0.77 0.39 1.06 0.00 0.00 176.91 178.51 1j03 n GLU 2 N -3.77 -3.95 -4.27 1.72 4.71 -1.26 -4.92 120.64 108.90 1j03 n GLU 2 Ca -0.04 2.87 -0.34 0.00 -0.01 0.00 0.00 57.16 59.64 1j03 n GLU 2 Cb 0.73 -3.73 -0.12 0.00 -1.01 0.00 0.00 31.44 27.31 1j03 n GLU 2 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1j03 s PHE 3 N -0.46 3.05 0.53 -0.32 0.40 -1.14 -4.85 117.98 115.19 1j03 s PHE 3 Ca -0.01 -0.30 -0.16 0.00 -0.60 0.00 0.00 56.93 55.86 1j03 s PHE 3 Cb 0.00 -2.01 -0.07 0.00 0.51 0.00 0.00 43.02 41.45 1j03 s PHE 3 CO 0.03 -0.07 1.00 0.95 0.70 0.00 0.00 175.22 177.82 1j03 s THR 4 N 0.54 4.52 0.50 0.64 -4.23 -1.26 -2.96 115.64 113.38 1j03 s THR 4 Ca -0.02 1.15 0.28 0.00 -1.18 0.00 0.00 61.69 61.92 1j03 s THR 4 Cb -0.14 -3.72 0.46 0.00 1.34 0.00 0.00 72.50 70.43 1j03 s THR 4 CO 0.02 -0.74 1.87 0.00 -0.54 0.00 0.00 174.62 175.23 1j03 h ALA 5 N 0.71 2.66 -0.09 3.99 0.00 -1.93 1.99 119.26 126.60 1j03 h ALA 5 Ca -0.46 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1j03 h ALA 5 Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1j03 h ALA 5 CO 0.61 -0.94 -0.27 1.49 0.00 0.00 0.00 179.25 180.14 1j03 h GLU 6 N 0.13 0.33 -0.21 0.00 4.81 -1.97 -1.78 114.58 115.89 1j03 h GLU 6 Ca 0.46 -0.24 -0.19 0.00 -0.13 0.00 0.00 59.36 59.25 1j03 h GLU 6 Cb 1.59 0.04 0.01 0.00 0.63 0.00 0.00 28.75 31.02 1j03 h GLU 6 CO -0.07 0.87 -0.61 0.37 -0.73 0.00 0.00 179.01 178.84 1j03 h GLN 7 N -0.14 0.78 -0.73 1.92 -0.00 -0.90 -3.14 115.11 112.90 1j03 h GLN 7 Ca -0.01 -0.56 0.04 0.00 -0.00 0.00 0.00 58.65 58.11 1j03 h GLN 7 Cb 0.89 0.09 -0.05 0.00 0.00 0.00 0.00 27.48 28.42 1j03 h GLN 7 CO 0.06 1.18 0.46 1.25 0.00 0.00 0.00 178.83 181.78 1j03 h LEU 8 N 0.51 0.74 -1.34 -2.39 7.12 0.29 0.24 115.31 120.48 1j03 h LEU 8 Ca -0.02 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.99 1j03 h LEU 8 Cb 1.23 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 41.21 1j03 h LEU 8 CO 0.13 0.51 0.07 -1.54 -0.13 0.00 0.00 178.44 177.48 1j03 n SER 9 N -4.66 0.52 0.07 1.25 3.41 -0.67 0.06 113.62 113.60 1j03 n SER 9 Ca 0.08 0.72 0.10 0.00 -0.26 0.00 0.00 58.87 59.51 1j03 n SER 9 Cb 0.10 -0.77 0.41 0.00 -0.26 0.00 0.00 64.21 63.70 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 -2.23 0.11 -2.65 4.33 1.13 0.83 -3.06 117.38 115.84 1j03 n GLN 10 Ca -0.01 0.33 -0.16 0.00 -1.94 0.00 0.00 57.00 55.21 1j03 n GLN 10 Cb 0.10 -1.70 0.01 0.00 0.11 0.00 0.00 30.24 28.76 1j03 n GLN 10 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1j03 n TYR 11 N -1.90 1.95 -0.34 1.08 4.02 0.11 -4.83 117.16 117.24 1j03 n TYR 11 Ca 0.03 -3.03 -0.01 0.00 -0.01 0.00 0.00 57.90 54.88 1j03 n TYR 11 Cb 0.21 -0.29 0.23 0.00 -0.02 0.00 0.00 39.34 39.47 1j03 n TYR 11 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1j03 n ASN 12 N -0.18 4.00 -1.71 7.72 6.94 -1.17 -2.48 115.26 128.38 1j03 n ASN 12 Ca 0.21 -2.76 -0.01 0.00 -0.02 0.00 0.00 54.58 52.00 1j03 n ASN 12 Cb 0.74 -0.66 -0.01 0.00 -2.36 0.00 0.00 39.78 37.49 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 0.12 -4.00 0.00 4.83 0.00 -1.26 -4.47 105.19 100.41 1j03 n GLY 13 Ca 0.25 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1j03 n GLY 13 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1j03 n THR 14 N 0.73 0.00 -1.77 2.61 5.66 -1.26 -3.29 114.28 116.96 1j03 n THR 14 Ca -0.07 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.77 1j03 n THR 14 Cb 0.11 0.00 0.10 0.00 -1.55 0.00 0.00 70.33 68.99 1j03 n THR 14 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1j03 n ASP 15 N 0.00 0.24 0.00 1.09 9.92 -1.26 -4.91 116.55 121.63 1j03 n ASP 15 Ca 0.00 -1.37 0.00 0.00 -0.53 0.00 0.00 54.79 52.89 1j03 n ASP 15 Cb 0.00 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 39.96 1j03 n ASP 15 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1j03 n GLU 16 N -2.44 0.00 -0.29 -1.24 1.02 -1.26 -4.71 120.64 111.72 1j03 n GLU 16 Ca 0.09 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.22 1j03 n GLU 16 Cb 0.33 -0.03 0.11 0.00 -0.02 0.00 0.00 31.44 31.82 1j03 n GLU 16 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1j03 h SER 17 N 0.00 0.82 -1.65 1.62 0.87 -2.04 -3.42 113.55 109.75 1j03 h SER 17 Ca 0.00 0.00 -0.71 0.00 -1.23 0.00 0.00 61.79 59.86 1j03 h SER 17 Cb 0.00 -0.17 0.03 0.00 -0.44 0.00 0.00 62.40 61.82 1j03 h SER 17 CO 0.00 0.55 0.80 0.29 -0.53 0.00 0.00 176.83 177.94 1j03 n LYS 18 N -4.62 1.29 0.00 2.24 4.01 -1.26 -4.94 118.16 114.88 1j03 n LYS 18 Ca 0.10 0.47 0.00 0.00 -0.51 0.00 0.00 58.31 58.37 1j03 n LYS 18 Cb 0.12 -2.16 0.00 0.00 -0.51 0.00 0.00 35.03 32.48 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 4.69 -0.20 -4.79 1.97 -0.04 -1.26 -4.70 135.00 130.66 1j03 n PRO 19 Ca 0.24 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.42 1j03 n PRO 19 Cb 0.17 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.46 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 -0.81 1.51 -0.04 0.52 1.01 -1.26 -4.57 121.20 117.56 1j03 s ILE 20 Ca 0.00 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 60.00 1j03 s ILE 20 Cb 0.00 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 41.13 1j03 s ILE 20 CO 0.00 0.44 -0.15 -0.31 0.00 0.00 0.00 174.94 174.92 1j03 s TYR 21 N 0.60 1.51 0.11 3.97 2.02 -1.04 -2.47 117.35 122.05 1j03 s TYR 21 Ca -0.15 -0.44 0.07 0.00 -0.37 0.00 0.00 57.07 56.19 1j03 s TYR 21 Cb -0.16 -1.03 -0.04 0.00 -0.40 0.00 0.00 41.96 40.32 1j03 s TYR 21 CO 0.05 -0.16 -0.11 0.08 -1.57 0.00 0.00 175.55 173.83 1j03 s VAL 22 N 0.15 3.30 -0.14 0.71 1.01 0.28 -2.48 120.40 123.23 1j03 s VAL 22 Ca -0.05 -1.31 -0.03 0.00 0.00 0.00 0.00 61.98 60.59 1j03 s VAL 22 Cb -0.11 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1j03 s VAL 22 CO 0.02 0.10 -0.02 0.00 0.00 0.00 0.00 175.10 175.20 1j03 s ALA 23 N -1.22 3.09 -0.17 5.51 0.00 -1.23 0.24 121.76 127.98 1j03 s ALA 23 Ca 0.21 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 51.31 1j03 s ALA 23 Cb -0.11 -1.56 0.08 0.00 0.00 0.00 0.00 23.12 21.54 1j03 s ALA 23 CO 0.13 0.30 0.27 0.42 0.00 0.00 0.00 175.76 176.88 1j03 s ILE 24 N 0.08 -0.42 -0.36 0.00 1.01 0.12 -3.13 121.20 118.50 1j03 s ILE 24 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.77 1j03 s ILE 24 Cb -0.13 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 41.77 1j03 s ILE 24 CO 0.02 -0.01 0.00 0.29 0.00 0.00 0.00 174.94 175.24 1j03 n LYS 25 N 5.35 -1.06 -0.22 2.79 4.76 -1.26 -1.25 118.16 127.26 1j03 n LYS 25 Ca -0.06 0.47 0.00 0.00 -2.87 0.00 0.00 58.31 55.85 1j03 n LYS 25 Cb 0.50 -4.37 0.00 0.00 -1.84 0.00 0.00 35.03 29.32 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 -0.93 0.88 3.40 0.72 0.00 -1.26 -5.01 105.19 103.00 1j03 n GLY 26 Ca -0.03 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.66 3.04 -0.22 1.61 3.52 -0.38 0.27 118.95 126.13 1j03 s ARG 27 Ca 0.00 -0.70 -0.22 0.00 -0.13 0.00 0.00 55.73 54.68 1j03 s ARG 27 Cb 0.00 -2.52 -0.02 0.00 -1.56 0.00 0.00 34.95 30.85 1j03 s ARG 27 CO 0.00 0.37 0.70 0.08 -0.81 0.00 0.00 175.30 175.64 1j03 s VAL 28 N -0.06 4.95 0.13 7.11 1.01 0.13 0.15 120.40 133.82 1j03 s VAL 28 Ca -0.03 1.31 0.09 0.00 0.00 0.00 0.00 61.98 63.35 1j03 s VAL 28 Cb -0.14 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1j03 s VAL 28 CO 0.04 0.03 -0.15 -0.36 0.00 0.00 0.00 175.10 174.66 1j03 s PHE 29 N 2.34 2.59 -0.17 5.22 0.08 0.67 -3.22 117.98 125.48 1j03 s PHE 29 Ca 0.31 -0.24 -0.16 0.00 0.12 0.00 0.00 56.93 56.96 1j03 s PHE 29 Cb -0.16 -1.34 -0.04 0.00 -0.57 0.00 0.00 43.02 40.91 1j03 s PHE 29 CO 0.09 0.43 0.39 0.34 -0.10 0.00 0.00 175.22 176.37 1j03 s ASP 30 N -2.33 6.50 0.00 1.36 -1.08 0.19 1.00 116.67 122.30 1j03 s ASP 30 Ca 0.20 0.59 0.00 0.00 -0.52 0.00 0.00 52.55 52.82 1j03 s ASP 30 Cb -0.10 -2.23 0.00 0.00 -1.46 0.00 0.00 42.92 39.13 1j03 s ASP 30 CO 0.12 -0.01 0.54 1.33 0.52 0.00 0.00 175.17 177.67 1j03 n VAL 31 N 3.97 0.29 0.20 1.11 0.24 -1.03 -3.65 118.33 119.45 1j03 n VAL 31 Ca -0.09 -0.41 0.16 0.00 -2.04 0.00 0.00 64.34 61.97 1j03 n VAL 31 Cb 0.51 1.07 0.66 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 0.99 0.13 0.00 3.34 1.03 -1.90 0.19 112.91 116.70 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 0.51 0.52 0.00 0.00 -1.07 0.00 0.00 68.15 68.11 1j03 h THR 32 CO 0.00 0.00 0.14 0.35 -0.01 0.00 0.00 175.52 176.00 1j03 n THR 33 N -3.16 1.33 -2.77 0.00 -2.24 -1.26 -1.49 114.28 104.69 1j03 n THR 33 Ca 0.04 0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 62.19 1j03 n THR 33 Cb 0.64 -1.48 0.06 0.00 -2.10 0.00 0.00 70.33 67.45 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 -1.33 1.68 0.40 3.38 0.00 0.68 -4.93 105.19 105.08 1j03 n GLY 34 Ca 0.00 -0.80 0.20 0.00 0.00 0.00 0.00 46.02 45.42 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 2.69 0.00 0.00 1.61 2.10 -1.39 2.18 116.57 123.76 1j03 h LYS 35 Ca -0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1j03 h LYS 35 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1j03 h LYS 35 CO 0.27 0.00 0.00 0.77 -2.00 0.00 0.00 179.45 178.49 1j03 h SER 36 N 0.00 0.00 0.00 7.07 0.02 -1.89 3.98 113.55 122.73 1j03 h SER 36 Ca 0.21 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.92 1j03 h SER 36 Cb 1.41 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.91 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 -2.51 0.00 -0.09 3.45 3.01 0.73 -4.08 117.46 117.97 1j03 n PHE 37 Ca 0.01 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.35 1j03 n PHE 37 Cb 0.21 -0.62 -0.08 0.00 -0.01 0.00 0.00 39.48 38.98 1j03 n PHE 37 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1j03 n TYR 38 N -2.59 0.00 -0.82 1.38 4.01 -0.48 0.38 117.16 119.04 1j03 n TYR 38 Ca -0.22 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.22 1j03 n TYR 38 Cb 0.89 -0.68 0.08 0.00 -0.31 0.00 0.00 39.34 39.31 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 2.65 -2.53 2.28 2.72 0.00 1.31 -4.12 105.19 107.50 1j03 n GLY 39 Ca -0.31 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 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 1.48 -0.57 -4.12 1.61 2.88 -1.21 0.03 113.62 113.73 1j03 n SER 40 Ca -0.00 0.76 -0.35 0.00 -1.33 0.00 0.00 58.87 57.95 1j03 n SER 40 Cb 0.57 -0.63 -0.04 0.00 -0.75 0.00 0.00 64.21 63.36 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 1.23 -0.39 3.88 0.46 0.00 -1.26 -4.92 105.19 104.18 1j03 n GLY 41 Ca 0.12 0.22 -0.21 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.01 2.00 0.19 -0.02 0.00 0.11 -4.92 107.32 100.67 1j03 s GLY 42 Ca 0.20 -1.79 -0.23 0.00 0.00 0.00 0.00 44.72 42.89 1j03 s GLY 42 CO 0.91 -1.64 1.51 1.22 0.00 0.00 0.00 173.10 175.09 1j03 n ASP 43 N -1.51 -0.81 -1.95 1.64 9.92 1.20 0.20 116.55 125.24 1j03 n ASP 43 Ca 0.02 1.72 -0.20 0.00 -0.53 0.00 0.00 54.79 55.80 1j03 n ASP 43 Cb 0.61 -0.32 0.06 0.00 -0.64 0.00 0.00 41.12 40.83 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 -5.34 1.96 0.16 1.24 4.01 0.54 -4.53 117.16 115.19 1j03 n TYR 44 Ca 0.06 -2.04 0.18 0.00 -0.16 0.00 0.00 57.90 55.95 1j03 n TYR 44 Cb 0.33 -0.99 0.73 0.00 -0.31 0.00 0.00 39.34 39.10 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 1.38 0.00 0.62 7.72 4.64 0.21 0.79 113.55 128.91 1j03 h SER 45 Ca 0.38 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.42 1j03 h SER 45 Cb 1.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 1j03 h SER 45 CO 0.91 0.00 -1.45 0.00 -0.87 0.00 0.00 176.83 175.41 1j03 h MET 46 N 0.00 0.09 0.08 4.77 -0.00 -1.80 -3.34 114.93 114.73 1j03 h MET 46 Ca 0.14 -0.15 -0.25 0.00 -0.00 0.00 0.00 59.70 59.44 1j03 h MET 46 Cb 1.07 0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.72 1j03 h MET 46 CO -0.00 0.86 -1.12 0.74 -0.00 0.00 0.00 176.91 177.39 1j03 h PHE 47 N 0.02 0.51 -0.61 -0.10 0.04 0.08 -3.41 116.94 113.48 1j03 h PHE 47 Ca -0.20 -0.33 -0.77 0.00 2.80 0.00 0.00 57.97 59.47 1j03 h PHE 47 Cb 1.94 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 40.04 1j03 h PHE 47 CO 0.02 1.21 1.16 0.00 -0.60 0.00 0.00 178.31 180.10 1j03 n ALA 48 N -2.53 0.01 -3.44 2.45 0.00 0.13 0.22 120.51 117.35 1j03 n ALA 48 Ca -0.07 0.23 -0.24 0.00 0.00 0.00 0.00 53.44 53.36 1j03 n ALA 48 Cb 0.95 -2.15 0.07 0.00 0.00 0.00 0.00 19.45 18.31 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 6.18 -0.54 3.47 0.00 0.00 -1.04 -4.50 105.19 108.76 1j03 n GLY 49 Ca 0.44 0.22 -0.14 0.00 0.00 0.00 0.00 46.02 46.54 1j03 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j03 s LYS 50 N -6.15 0.76 -0.67 1.61 1.02 0.59 -4.39 119.74 112.51 1j03 s LYS 50 Ca 0.51 0.60 -0.25 0.00 0.02 0.00 0.00 55.97 56.85 1j03 s LYS 50 Cb -0.23 0.36 0.05 0.00 -0.52 0.00 0.00 37.83 37.49 1j03 s LYS 50 CO 0.63 -0.14 1.10 0.34 -0.92 0.00 0.00 175.35 176.36 1j03 s ASP 51 N -0.16 6.21 -1.20 2.83 -1.08 -1.26 -3.52 116.67 118.50 1j03 s ASP 51 Ca -0.04 -0.60 -0.04 0.00 -0.52 0.00 0.00 52.55 51.35 1j03 s ASP 51 Cb -0.03 -2.49 0.19 0.00 -1.46 0.00 0.00 42.92 39.13 1j03 s ASP 51 CO 0.03 -1.57 2.21 0.00 0.52 0.00 0.00 175.17 176.37 1j03 n ALA 52 N 8.38 6.57 0.03 3.66 0.00 -1.18 -0.07 120.51 137.89 1j03 n ALA 52 Ca 0.01 -4.22 -0.11 0.00 0.00 0.00 0.00 53.44 49.12 1j03 n ALA 52 Cb 0.47 -2.55 -0.08 0.00 0.00 0.00 0.00 19.45 17.29 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 4.40 -0.13 -0.15 0.00 0.02 -1.72 0.32 113.55 116.29 1j03 h SER 53 Ca 0.64 -0.42 -0.12 0.00 -0.84 0.00 0.00 61.79 61.04 1j03 h SER 53 Cb 0.32 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1j03 h SER 53 CO 1.36 0.47 -0.32 0.03 -1.14 0.00 0.00 176.83 177.23 1j03 h ARG 54 N -0.86 0.65 -0.39 3.45 3.08 -1.66 0.24 114.38 118.88 1j03 h ARG 54 Ca -0.02 -0.30 -0.12 0.00 0.07 0.00 0.00 59.98 59.61 1j03 h ARG 54 Cb 0.55 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1j03 h ARG 54 CO 0.03 0.89 -0.26 0.00 -1.07 0.00 0.00 179.97 179.56 1j03 h ALA 55 N 1.09 0.81 -0.09 0.04 0.00 0.29 -2.28 119.26 119.13 1j03 h ALA 55 Ca 0.06 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 1j03 h ALA 55 Cb 0.82 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1j03 h ALA 55 CO 0.07 0.65 -0.17 -0.07 0.00 0.00 0.00 179.25 179.72 1j03 h LEU 56 N 0.69 0.31 0.00 0.00 3.38 -0.67 0.42 115.31 119.44 1j03 h LEU 56 Ca 0.09 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1j03 h LEU 56 Cb 0.79 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1j03 h LEU 56 CO 0.07 0.81 0.00 0.61 0.09 0.00 0.00 178.44 180.01 1j03 n GLY 57 N 0.41 -2.98 0.31 0.83 0.00 0.81 -1.79 105.19 102.78 1j03 n GLY 57 Ca -0.07 0.31 0.20 0.00 0.00 0.00 0.00 46.02 46.46 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 -4.33 1.61 1.57 -1.56 -3.41 116.57 110.45 1j03 h LYS 58 Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 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 0.00 -0.49 -1.33 -0.57 0.00 0.00 179.45 177.06 1j03 n MET 59 N -3.11 -3.92 -0.09 3.15 2.81 0.11 -4.96 117.12 111.11 1j03 n MET 59 Ca -0.02 0.54 -0.10 0.00 -1.81 0.00 0.00 57.70 56.32 1j03 n MET 59 Cb 0.17 -4.59 -0.12 0.00 -0.71 0.00 0.00 33.22 27.97 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 -2.37 1.30 0.00 7.83 2.88 0.84 -4.97 113.62 119.12 1j03 n SER 60 Ca -0.17 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1j03 n SER 60 Cb 0.60 0.62 0.00 0.00 -0.75 0.00 0.00 64.21 64.68 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 -2.72 -0.37 -1.72 -1.46 4.01 -1.15 -4.94 118.16 109.81 1j03 n LYS 61 Ca -0.29 0.09 -0.43 0.00 -0.51 0.00 0.00 58.31 57.18 1j03 n LYS 61 Cb 1.00 -3.51 -0.01 0.00 -0.51 0.00 0.00 35.03 32.00 1j03 n LYS 61 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1j03 n ASN 62 N -0.18 3.28 0.21 4.39 4.05 -1.26 -4.82 115.26 120.93 1j03 n ASN 62 Ca 0.00 1.17 0.15 0.00 0.45 0.00 0.00 54.58 56.35 1j03 n ASN 62 Cb 0.09 -1.53 0.73 0.00 1.23 0.00 0.00 39.78 40.30 1j03 n ASN 62 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 1j03 h GLU 63 N 3.85 0.00 0.00 1.20 4.81 -1.93 0.59 114.58 123.10 1j03 h GLU 63 Ca -0.47 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.69 1j03 h GLU 63 Cb 1.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1j03 h GLU 63 CO 0.72 0.00 -1.27 0.39 -0.73 0.00 0.00 179.01 178.12 1j03 n GLU 64 N -2.53 0.62 -0.01 1.92 -0.58 -1.26 -3.63 120.64 115.17 1j03 n GLU 64 Ca -0.01 0.13 0.09 0.00 -0.42 0.00 0.00 57.16 56.96 1j03 n GLU 64 Cb 0.11 -1.79 0.51 0.00 -0.57 0.00 0.00 31.44 29.70 1j03 n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1j03 n ASP 65 N -2.73 0.24 -4.42 1.62 9.92 0.19 -4.61 116.55 116.77 1j03 n ASP 65 Ca -0.05 -1.48 -0.44 0.00 -0.53 0.00 0.00 54.79 52.30 1j03 n ASP 65 Cb 0.68 -0.02 -0.04 0.00 -0.64 0.00 0.00 41.12 41.10 1j03 n ASP 65 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1j03 s VAL 66 N -1.97 4.64 -0.13 2.53 1.01 -1.17 0.79 120.40 126.10 1j03 s VAL 66 Ca 0.28 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1j03 s VAL 66 Cb 0.13 -4.64 0.02 0.00 0.00 0.00 0.00 36.38 31.89 1j03 s VAL 66 CO 0.22 -1.35 -0.16 -0.94 0.00 0.00 0.00 175.10 172.86 1j03 s SER 67 N 3.58 2.68 0.00 3.32 1.04 0.90 -4.80 113.70 120.43 1j03 s SER 67 Ca 0.21 -0.49 0.08 0.00 0.48 0.00 0.00 55.95 56.23 1j03 s SER 67 Cb -0.16 -1.21 0.47 0.00 0.10 0.00 0.00 66.02 65.22 1j03 s SER 67 CO 0.03 0.00 1.09 -0.81 0.98 0.00 0.00 173.24 174.53 1j03 n PRO 68 N 4.40 0.75 -3.53 4.02 -0.04 -1.25 -3.99 135.00 135.35 1j03 n PRO 68 Ca -0.19 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.06 1j03 n PRO 68 Cb 0.51 -1.16 -0.14 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.50 1.76 0.26 3.54 1.04 -1.26 -4.62 113.70 112.92 1j03 s SER 69 Ca 0.12 -0.39 -0.03 0.00 0.48 0.00 0.00 55.95 56.13 1j03 s SER 69 Cb 0.05 0.15 0.53 0.00 0.10 0.00 0.00 66.02 66.85 1j03 s SER 69 CO 0.09 -0.34 1.37 0.18 0.98 0.00 0.00 173.24 175.52 1j03 n LEU 70 N 5.30 -0.22 0.00 2.42 4.77 -1.26 -4.59 117.00 123.42 1j03 n LEU 70 Ca -0.06 1.50 0.00 0.00 -0.03 0.00 0.00 56.01 57.42 1j03 n LEU 70 Cb 0.49 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1j03 n LEU 70 CO 0.09 -1.47 0.00 -0.62 -1.33 0.00 0.00 177.39 174.05 1j03 n GLU 71 N -5.36 0.00 0.00 3.23 1.02 -1.26 0.20 120.64 118.47 1j03 n GLU 71 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1j03 n GLU 71 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 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 0.00 2.01 3.42 0.62 0.00 -1.26 -5.07 105.19 104.91 1j03 n GLY 72 Ca 0.00 -0.41 -0.52 0.00 0.00 0.00 0.00 46.02 45.09 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 1.93 0.00 0.99 4.32 0.53 -4.91 117.00 119.85 1j03 n LEU 73 Ca 0.00 0.47 0.00 0.00 -0.02 0.00 0.00 56.01 56.46 1j03 n LEU 73 Cb 0.00 -1.20 0.00 0.00 -1.62 0.00 0.00 43.42 40.60 1j03 n LEU 73 CO 0.00 -0.73 0.00 1.07 -1.22 0.00 0.00 177.39 176.51 1j03 n THR 74 N 7.01 0.00 -0.14 -5.08 5.66 -1.26 -4.65 114.28 115.82 1j03 n THR 74 Ca 0.43 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 61.31 1j03 n THR 74 Cb 0.18 -1.97 -0.01 0.00 -1.55 0.00 0.00 70.33 66.98 1j03 n THR 74 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1j03 h GLU 75 N 0.00 0.92 -0.23 1.09 5.08 -1.96 0.90 114.58 120.38 1j03 h GLU 75 Ca 0.00 -0.41 0.06 0.00 -1.00 0.00 0.00 59.36 58.01 1j03 h GLU 75 Cb 0.00 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.16 1j03 h GLU 75 CO 0.00 1.07 -0.22 1.57 -1.00 0.00 0.00 179.01 180.42 1j03 h LYS 76 N 0.74 -0.22 -0.02 2.33 2.10 -1.97 1.50 116.57 121.04 1j03 h LYS 76 Ca 0.09 0.02 -0.16 0.00 -2.00 0.00 0.00 60.65 58.60 1j03 h LYS 76 Cb 0.80 0.05 0.01 0.00 -0.90 0.00 0.00 32.23 32.20 1j03 h LYS 76 CO 0.07 -0.15 -0.62 1.05 -2.00 0.00 0.00 179.45 177.80 1j03 h GLU 77 N -0.23 0.45 -0.52 0.07 9.09 -1.78 -3.13 114.58 118.53 1j03 h GLU 77 Ca 0.13 -0.46 0.08 0.00 0.05 0.00 0.00 59.36 59.17 1j03 h GLU 77 Cb 0.43 0.13 -0.07 0.00 -1.65 0.00 0.00 28.75 27.59 1j03 h GLU 77 CO -0.36 1.11 0.13 0.82 0.05 0.00 0.00 179.01 180.76 1j03 h ILE 78 N -0.03 0.74 -0.23 -1.06 1.08 0.13 8.37 117.51 126.51 1j03 h ILE 78 Ca -0.07 -0.10 0.06 0.00 -0.39 0.00 0.00 64.86 64.36 1j03 h ILE 78 Cb 1.32 0.44 -0.07 0.00 -3.07 0.00 0.00 36.82 35.43 1j03 h ILE 78 CO 0.12 0.05 -0.27 0.78 -0.69 0.00 0.00 178.15 178.14 1j03 h ASN 79 N 0.28 -0.88 0.06 1.72 2.35 0.21 3.03 115.58 122.34 1j03 h ASN 79 Ca 0.26 0.15 -0.10 0.00 -0.55 0.00 0.00 56.30 56.06 1j03 h ASN 79 Cb 0.34 0.40 0.01 0.00 0.05 0.00 0.00 38.32 39.12 1j03 h ASN 79 CO -0.31 -0.31 -0.43 0.74 -1.65 0.00 0.00 177.43 175.47 1j03 h THR 80 N -0.29 1.60 0.44 2.81 2.02 -1.22 -1.90 112.91 116.37 1j03 h THR 80 Ca 0.13 -2.32 -0.01 0.00 0.77 0.00 0.00 66.41 64.98 1j03 h THR 80 Cb 0.49 3.12 -0.02 0.00 -1.74 0.00 0.00 68.15 70.01 1j03 h THR 80 CO -0.39 0.64 -0.37 0.25 0.37 0.00 0.00 175.52 176.01 1j03 h LEU 81 N -0.57 -0.99 -0.15 2.58 7.12 1.81 3.11 115.31 128.22 1j03 h LEU 81 Ca -0.07 0.08 0.04 0.00 0.13 0.00 0.00 57.88 58.06 1j03 h LEU 81 Cb 1.29 0.32 -0.04 0.00 -0.53 0.00 0.00 40.66 41.70 1j03 h LEU 81 CO 0.08 -0.53 -0.09 -1.13 -0.13 0.00 0.00 178.44 176.64 1j03 h ASN 82 N -0.81 -0.30 0.01 1.25 -0.73 0.54 0.29 115.58 115.84 1j03 h ASN 82 Ca -0.04 0.07 -0.04 0.00 1.87 0.00 0.00 56.30 58.16 1j03 h ASN 82 Cb 0.71 0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.44 1j03 h ASN 82 CO -0.02 -0.12 -0.10 -0.78 -0.37 0.00 0.00 177.43 176.04 1j03 h ASP 83 N -0.09 0.19 -0.83 1.15 3.58 -1.01 -1.43 116.42 117.98 1j03 h ASP 83 Ca 0.09 -0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.53 1j03 h ASP 83 Cb 0.22 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.17 1j03 h ASP 83 CO -0.21 0.31 0.54 -0.50 -2.88 0.00 0.00 179.24 176.51 1j03 h TRP 84 N 0.20 1.01 -0.42 0.28 -0.00 0.76 0.30 115.95 118.08 1j03 h TRP 84 Ca 0.04 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.95 1j03 h TRP 84 Cb 0.30 -0.34 -0.02 0.00 -0.00 0.00 0.00 29.16 29.10 1j03 h TRP 84 CO 0.00 0.59 0.22 1.49 -0.00 0.00 0.00 178.44 180.75 1j03 h GLU 85 N 1.06 0.59 -0.31 0.49 4.22 -0.06 0.70 114.58 121.27 1j03 h GLU 85 Ca 0.33 -0.08 -0.06 0.00 0.08 0.00 0.00 59.36 59.63 1j03 h GLU 85 Cb -0.02 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1j03 h GLU 85 CO -0.10 0.49 -0.06 1.15 -2.18 0.00 0.00 179.01 178.30 1j03 h THR 86 N 0.54 1.21 -0.07 0.32 2.02 -0.98 1.67 112.91 117.61 1j03 h THR 86 Ca 0.15 -0.88 -0.18 0.00 0.77 0.00 0.00 66.41 66.26 1j03 h THR 86 Cb 0.08 1.05 0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1j03 h THR 86 CO -0.02 0.29 -0.67 0.11 0.37 0.00 0.00 175.52 175.61 1j03 h LYS 87 N 0.47 0.58 -0.12 6.66 1.57 0.14 -0.33 116.57 125.53 1j03 h LYS 87 Ca 0.09 -0.53 -0.16 0.00 -1.87 0.00 0.00 60.65 58.19 1j03 h LYS 87 Cb 0.40 0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.84 1j03 h LYS 87 CO 0.02 1.15 -0.56 0.74 -0.57 0.00 0.00 179.45 180.23 1j03 h PHE 88 N 0.19 0.79 0.00 -1.35 -1.00 0.74 -1.68 116.94 114.64 1j03 h PHE 88 Ca -0.06 -0.35 0.00 0.00 2.81 0.00 0.00 57.97 60.37 1j03 h PHE 88 Cb 1.32 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.76 1j03 h PHE 88 CO 0.11 1.14 0.00 1.05 -1.61 0.00 0.00 178.31 179.00 1j03 h GLU 89 N 0.22 0.00 0.00 1.51 -0.00 0.24 1.93 114.58 118.48 1j03 h GLU 89 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.32 1j03 h GLU 89 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.95 1j03 h GLU 89 CO 0.12 0.00 -0.68 0.00 -0.00 0.00 0.00 179.01 178.45 1j03 n ALA 90 N -2.01 3.80 -0.11 1.06 0.00 -0.13 -4.65 120.51 118.46 1j03 n ALA 90 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1j03 n ALA 90 Cb 0.32 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.57 0.00 -2.04 0.00 5.02 -0.64 -5.03 118.16 113.89 1j03 n LYS 91 Ca 0.05 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.93 1j03 n LYS 91 Cb 0.35 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.35 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 -0.89 2.89 0.23 2.13 2.02 0.65 -4.97 117.35 119.41 1j03 s TYR 92 Ca 0.00 1.38 -0.30 0.00 -0.37 0.00 0.00 57.07 57.78 1j03 s TYR 92 Cb 0.00 -3.73 -0.09 0.00 -0.40 0.00 0.00 41.96 37.74 1j03 s TYR 92 CO 0.00 -2.12 1.09 -1.25 -1.57 0.00 0.00 175.55 171.70 1j03 s PRO 93 N -2.02 4.63 -0.44 -1.71 0.04 -1.24 -4.28 135.00 129.99 1j03 s PRO 93 Ca 0.53 1.76 -0.21 0.00 0.04 0.00 0.00 61.00 63.11 1j03 s PRO 93 Cb -0.40 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 30.93 1j03 s PRO 93 CO 0.53 0.17 0.65 0.08 0.04 0.00 0.00 177.00 178.47 1j03 s VAL 94 N -0.76 4.82 -1.06 -0.36 1.01 -1.26 0.52 120.40 123.30 1j03 s VAL 94 Ca 0.46 0.13 0.25 0.00 0.00 0.00 0.00 61.98 62.82 1j03 s VAL 94 Cb -0.31 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 31.87 1j03 s VAL 94 CO 0.38 -0.61 1.40 1.33 0.00 0.00 0.00 175.10 177.60 1j03 n VAL 95 N 5.87 0.00 0.00 2.92 0.24 -1.20 -5.00 118.33 121.16 1j03 n VAL 95 Ca -0.01 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1j03 n VAL 95 Cb 0.48 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 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 1.49 -0.34 3.20 7.63 0.00 -1.23 -3.93 105.19 112.00 1j03 n GLY 96 Ca 0.06 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 1j03 n GLY 96 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1j03 s ARG 97 N -2.00 2.64 0.47 1.61 3.03 -1.26 0.19 118.95 123.63 1j03 s ARG 97 Ca 0.00 -0.80 -0.22 0.00 2.03 0.00 0.00 55.73 56.74 1j03 s ARG 97 Cb 0.00 -2.08 -0.10 0.00 -1.03 0.00 0.00 34.95 31.74 1j03 s ARG 97 CO 0.00 0.21 0.72 0.28 -1.13 0.00 0.00 175.30 175.38 1j03 n VAL 98 N 3.39 2.27 0.00 4.99 0.31 0.77 -2.90 118.33 127.16 1j03 n VAL 98 Ca -0.19 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 1j03 n VAL 98 Cb 0.53 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 1j03 n VAL 98 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1j03 n VAL 99 N -1.02 0.00 -0.21 2.52 0.24 -1.15 -4.70 118.33 114.00 1j03 n VAL 99 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 1j03 n VAL 99 Cb 0.42 -0.86 0.00 0.00 -1.47 0.00 0.00 33.84 31.93 1j03 n VAL 99 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45