#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 0.87 0.08 1.61 -0.04 -1.26 -4.95 135.00 131.30 1j03 n PRO 0 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 1j03 n PRO 0 Cb 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 33.54 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 0.26 -4.77 0.54 2.86 -1.95 -3.49 114.93 108.39 1j03 h MET 1 Ca 0.00 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1j03 h MET 1 Cb 0.00 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 1j03 h MET 1 CO 0.00 0.85 -0.80 0.39 1.06 0.00 0.00 176.91 178.40 1j03 n GLU 2 N -3.82 -3.58 -4.37 1.72 1.02 -1.26 -4.93 120.64 105.43 1j03 n GLU 2 Ca -0.03 2.64 -0.34 0.00 -0.02 0.00 0.00 57.16 59.42 1j03 n GLU 2 Cb 0.67 -3.50 -0.12 0.00 -0.02 0.00 0.00 31.44 28.47 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 -0.42 3.05 0.57 -0.32 0.40 -1.16 -4.87 117.98 115.23 1j03 s PHE 3 Ca -0.06 -0.23 -0.16 0.00 -0.60 0.00 0.00 56.93 55.88 1j03 s PHE 3 Cb 0.00 -1.95 -0.05 0.00 0.51 0.00 0.00 43.02 41.53 1j03 s PHE 3 CO 0.16 0.02 1.05 0.95 0.70 0.00 0.00 175.22 178.10 1j03 s THR 4 N 0.27 3.87 0.51 0.64 -4.23 -1.26 -2.74 115.64 112.70 1j03 s THR 4 Ca -0.02 0.92 0.25 0.00 -1.18 0.00 0.00 61.69 61.66 1j03 s THR 4 Cb -0.14 -3.42 0.41 0.00 1.34 0.00 0.00 72.50 70.69 1j03 s THR 4 CO 0.03 -0.48 1.96 0.00 -0.54 0.00 0.00 174.62 175.58 1j03 h ALA 5 N 0.64 2.52 -0.11 3.99 0.00 -1.90 1.54 119.26 125.95 1j03 h ALA 5 Ca -0.47 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1j03 h ALA 5 Cb 1.22 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1j03 h ALA 5 CO 0.58 -0.71 -0.09 0.93 0.00 0.00 0.00 179.25 179.95 1j03 h GLU 6 N 0.07 0.26 -0.13 0.00 5.08 -1.91 -0.74 114.58 117.20 1j03 h GLU 6 Ca 0.32 -0.13 -0.21 0.00 -1.00 0.00 0.00 59.36 58.34 1j03 h GLU 6 Cb 1.16 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.43 1j03 h GLU 6 CO -0.03 0.65 -0.73 1.96 -1.00 0.00 0.00 179.01 179.87 1j03 h GLN 7 N -0.13 0.73 0.00 2.33 7.50 -1.25 -3.01 115.11 121.27 1j03 h GLN 7 Ca 0.02 -0.61 -0.02 0.00 0.50 0.00 0.00 58.65 58.55 1j03 h GLN 7 Cb 0.60 0.13 -0.00 0.00 0.05 0.00 0.00 27.48 28.26 1j03 h GLN 7 CO 0.02 1.22 -0.08 1.25 -1.50 0.00 0.00 178.83 179.74 1j03 h LEU 8 N 0.43 0.00 0.00 1.46 5.85 0.20 0.26 115.31 123.52 1j03 h LEU 8 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1j03 h LEU 8 Cb 1.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.40 1j03 h LEU 8 CO 0.15 0.08 0.00 -0.24 -0.34 0.00 0.00 178.44 178.09 1j03 n SER 9 N -4.35 0.00 -1.50 1.25 2.88 -0.29 -2.58 113.62 109.04 1j03 n SER 9 Ca -0.03 -1.31 0.11 0.00 -1.33 0.00 0.00 58.87 56.31 1j03 n SER 9 Cb 0.16 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 63.97 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 -0.77 3.25 -2.71 -1.46 6.02 0.91 -4.24 117.38 118.38 1j03 n GLN 10 Ca 0.12 -2.80 -0.04 0.00 -0.01 0.00 0.00 57.00 54.26 1j03 n GLN 10 Cb 0.05 -1.74 0.04 0.00 1.02 0.00 0.00 30.24 29.62 1j03 n GLN 10 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1j03 n TYR 11 N 1.43 1.48 1.60 1.08 4.01 -1.06 -4.81 117.16 120.88 1j03 n TYR 11 Ca 0.26 -2.23 0.08 0.00 -0.16 0.00 0.00 57.90 55.85 1j03 n TYR 11 Cb 0.76 -0.26 0.37 0.00 -0.31 0.00 0.00 39.34 39.91 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 -0.56 0.80 -1.19 7.72 0.23 -1.26 -2.58 115.26 118.42 1j03 n ASN 12 Ca 0.13 -1.66 0.00 0.00 -0.53 0.00 0.00 54.58 52.51 1j03 n ASN 12 Cb 0.82 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.46 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 0.90 -2.37 0.00 4.83 0.00 -1.26 -3.60 105.19 103.69 1j03 n GLY 13 Ca 0.13 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1j03 n GLY 13 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1j03 n THR 14 N 0.22 0.00 -0.31 2.61 5.66 -1.26 -0.52 114.28 120.67 1j03 n THR 14 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 1j03 n THR 14 Cb 0.00 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 68.81 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 -1.67 -0.12 1.09 9.92 -1.26 -5.01 116.55 119.50 1j03 n ASP 15 Ca 0.00 -0.36 -0.22 0.00 -0.53 0.00 0.00 54.79 53.68 1j03 n ASP 15 Cb 0.00 -0.12 -0.10 0.00 -0.64 0.00 0.00 41.12 40.26 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 -2.17 0.55 -0.11 -1.24 4.71 -1.26 -4.79 120.64 116.33 1j03 n GLU 16 Ca 0.02 0.19 -0.21 0.00 -0.01 0.00 0.00 57.16 57.15 1j03 n GLU 16 Cb 0.07 -1.42 -0.08 0.00 -1.01 0.00 0.00 31.44 29.00 1j03 n GLU 16 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1j03 n SER 17 N -3.69 1.78 -4.18 1.62 7.64 -1.26 -4.98 113.62 110.55 1j03 n SER 17 Ca -0.46 0.16 -0.58 0.00 1.01 0.00 0.00 58.87 59.00 1j03 n SER 17 Cb 0.89 -0.56 -0.08 0.00 -1.01 0.00 0.00 64.21 63.45 1j03 n SER 17 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1j03 n LYS 18 N -3.74 0.00 0.00 1.43 4.01 -1.26 -4.91 118.16 113.69 1j03 n LYS 18 Ca -0.41 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.39 1j03 n LYS 18 Cb 0.83 -1.34 0.00 0.00 -0.51 0.00 0.00 35.03 34.01 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 2.92 0.67 -4.03 1.97 -0.04 -1.26 -4.66 135.00 130.57 1j03 n PRO 19 Ca 0.25 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.40 1j03 n PRO 19 Cb -0.02 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.28 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 -0.22 1.66 -0.07 0.52 1.09 -1.26 -4.39 121.20 118.54 1j03 s ILE 20 Ca 0.00 -0.75 0.04 0.00 -1.10 0.00 0.00 60.65 58.84 1j03 s ILE 20 Cb 0.00 -1.58 0.00 0.00 -1.06 0.00 0.00 42.46 39.82 1j03 s ILE 20 CO 0.00 0.42 -0.19 -0.31 -0.10 0.00 0.00 174.94 174.76 1j03 s TYR 21 N 1.44 2.00 0.10 3.97 2.02 -1.07 -2.84 117.35 122.98 1j03 s TYR 21 Ca 0.04 -0.70 0.07 0.00 -0.37 0.00 0.00 57.07 56.11 1j03 s TYR 21 Cb -0.13 -1.36 -0.04 0.00 -0.40 0.00 0.00 41.96 40.03 1j03 s TYR 21 CO -0.11 -0.28 -0.09 0.08 -1.57 0.00 0.00 175.55 173.59 1j03 s VAL 22 N 0.26 3.43 -0.12 0.71 1.01 0.17 -3.25 120.40 122.61 1j03 s VAL 22 Ca -0.11 -1.24 -0.03 0.00 0.00 0.00 0.00 61.98 60.60 1j03 s VAL 22 Cb -0.15 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1j03 s VAL 22 CO 0.05 0.11 -0.01 0.00 0.00 0.00 0.00 175.10 175.25 1j03 s ALA 23 N -1.22 3.16 -0.18 5.51 0.00 -1.22 0.33 121.76 128.13 1j03 s ALA 23 Ca 0.22 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 51.32 1j03 s ALA 23 Cb -0.11 -1.54 0.07 0.00 0.00 0.00 0.00 23.12 21.54 1j03 s ALA 23 CO 0.14 0.39 0.13 0.42 0.00 0.00 0.00 175.76 176.84 1j03 s ILE 24 N -0.23 -0.17 -0.88 0.00 1.01 0.21 -2.64 121.20 118.50 1j03 s ILE 24 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.57 1j03 s ILE 24 Cb -0.13 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.75 1j03 s ILE 24 CO 0.02 -0.24 0.00 0.29 0.00 0.00 0.00 174.94 175.01 1j03 n LYS 25 N 5.29 -1.29 -0.07 2.79 5.02 -1.26 -0.95 118.16 127.69 1j03 n LYS 25 Ca -0.06 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 1j03 n LYS 25 Cb 0.49 -4.88 0.00 0.00 -0.02 0.00 0.00 35.03 30.62 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 -0.55 0.96 3.27 0.72 0.00 -1.26 -4.85 105.19 103.50 1j03 n GLY 26 Ca -0.08 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.36 3.22 -0.19 1.61 3.52 -0.13 0.23 118.95 126.86 1j03 s ARG 27 Ca 0.00 -0.75 -0.27 0.00 -0.13 0.00 0.00 55.73 54.58 1j03 s ARG 27 Cb 0.00 -2.59 -0.01 0.00 -1.56 0.00 0.00 34.95 30.79 1j03 s ARG 27 CO 0.00 0.06 0.92 0.08 -0.81 0.00 0.00 175.30 175.55 1j03 s VAL 28 N 0.70 4.80 0.25 7.11 1.01 0.79 0.65 120.40 135.70 1j03 s VAL 28 Ca -0.07 1.80 0.10 0.00 0.00 0.00 0.00 61.98 63.80 1j03 s VAL 28 Cb -0.16 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1j03 s VAL 28 CO 0.02 -0.05 -0.08 -0.36 0.00 0.00 0.00 175.10 174.63 1j03 s PHE 29 N 2.54 2.58 -0.22 5.22 0.08 0.98 -3.28 117.98 125.88 1j03 s PHE 29 Ca 0.41 -0.25 -0.08 0.00 0.12 0.00 0.00 56.93 57.13 1j03 s PHE 29 Cb -0.16 -1.17 -0.04 0.00 -0.57 0.00 0.00 43.02 41.08 1j03 s PHE 29 CO 0.11 0.61 0.08 0.34 -0.10 0.00 0.00 175.22 176.26 1j03 s ASP 30 N -3.39 5.51 0.00 1.36 -1.08 0.15 0.46 116.67 119.68 1j03 s ASP 30 Ca 0.29 -0.04 0.00 0.00 -0.52 0.00 0.00 52.55 52.29 1j03 s ASP 30 Cb -0.07 -1.97 0.00 0.00 -1.46 0.00 0.00 42.92 39.42 1j03 s ASP 30 CO 0.17 0.07 0.61 1.33 0.52 0.00 0.00 175.17 177.87 1j03 n VAL 31 N 4.26 0.37 0.10 1.11 0.24 -1.13 -3.59 118.33 119.70 1j03 n VAL 31 Ca -0.16 -0.50 0.20 0.00 -2.04 0.00 0.00 64.34 61.84 1j03 n VAL 31 Cb 0.52 0.97 0.70 0.00 -1.47 0.00 0.00 33.84 34.55 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 0.84 0.25 0.00 3.34 1.03 -1.91 0.37 112.91 116.82 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 0.49 0.55 0.00 0.00 -1.07 0.00 0.00 68.15 68.12 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 -3.47 1.49 -2.70 0.00 -2.24 -1.26 -1.80 114.28 104.31 1j03 n THR 33 Ca 0.08 0.46 -0.06 0.00 -2.27 0.00 0.00 64.05 62.25 1j03 n THR 33 Cb 0.71 -1.46 0.09 0.00 -2.10 0.00 0.00 70.33 67.58 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 -1.37 1.55 0.38 3.38 0.00 0.13 -4.93 105.19 104.32 1j03 n GLY 34 Ca 0.00 -0.49 0.17 0.00 0.00 0.00 0.00 46.02 45.70 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 2.11 0.00 0.00 1.61 2.10 -1.37 0.81 116.57 121.83 1j03 h LYS 35 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1j03 h LYS 35 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1j03 h LYS 35 CO 0.07 0.00 0.12 1.03 -2.00 0.00 0.00 179.45 178.67 1j03 h SER 36 N 0.00 0.00 0.00 7.07 0.87 -1.90 4.74 113.55 124.33 1j03 h SER 36 Ca 0.13 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.44 1j03 h SER 36 Cb 1.21 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.13 1j03 h SER 36 CO -0.00 0.00 -1.89 0.49 -0.53 0.00 0.00 176.83 174.90 1j03 n PHE 37 N -2.80 0.00 -0.02 2.24 3.01 0.28 -4.32 117.46 115.85 1j03 n PHE 37 Ca -0.02 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.25 1j03 n PHE 37 Cb 0.18 -0.59 -0.14 0.00 -0.01 0.00 0.00 39.48 38.92 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 -3.27 1.00 -0.93 1.38 4.01 -0.99 0.34 117.16 118.71 1j03 n TYR 38 Ca -0.29 0.24 -0.37 0.00 -0.16 0.00 0.00 57.90 57.31 1j03 n TYR 38 Cb 0.76 -1.14 0.06 0.00 -0.31 0.00 0.00 39.34 38.72 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 1.95 -3.01 2.89 2.72 0.00 1.55 -4.43 105.19 106.86 1j03 n GLY 39 Ca -0.31 -0.32 -0.51 0.00 0.00 0.00 0.00 46.02 44.88 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 2.30 0.50 -3.13 1.61 2.88 0.32 -2.59 113.62 115.51 1j03 n SER 40 Ca -0.01 0.93 -0.09 0.00 -1.33 0.00 0.00 58.87 58.37 1j03 n SER 40 Cb 0.71 -0.71 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 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 2.24 -1.00 2.48 0.46 0.00 -1.26 -4.98 105.19 103.12 1j03 n GLY 41 Ca 0.20 0.46 -0.09 0.00 0.00 0.00 0.00 46.02 46.59 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 0.72 2.02 0.33 -0.02 0.00 -1.07 -4.94 105.19 102.23 1j03 n GLY 42 Ca -0.01 -1.42 0.05 0.00 0.00 0.00 0.00 46.02 44.64 1j03 n GLY 42 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1j03 h ASP 43 N 1.40 -0.83 -2.23 1.61 3.58 0.55 0.10 116.42 120.60 1j03 h ASP 43 Ca -0.21 0.27 -0.76 0.00 0.42 0.00 0.00 57.03 56.76 1j03 h ASP 43 Cb 0.85 0.56 -0.30 0.00 1.72 0.00 0.00 39.33 42.16 1j03 h ASP 43 CO 0.27 -0.30 0.66 -1.22 -2.88 0.00 0.00 179.24 175.77 1j03 n TYR 44 N -5.58 3.07 0.09 0.28 4.01 0.50 -4.69 117.16 114.85 1j03 n TYR 44 Ca 0.14 -2.86 -0.06 0.00 -0.16 0.00 0.00 57.90 54.96 1j03 n TYR 44 Cb 0.46 -1.03 0.05 0.00 -0.31 0.00 0.00 39.34 38.51 1j03 n TYR 44 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1j03 h SER 45 N 3.85 0.18 1.38 7.72 0.87 -0.92 -0.51 113.55 126.11 1j03 h SER 45 Ca 0.45 -0.13 -0.08 0.00 -1.23 0.00 0.00 61.79 60.80 1j03 h SER 45 Cb 0.35 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1j03 h SER 45 CO 1.11 0.88 -0.64 0.00 -0.53 0.00 0.00 176.83 177.65 1j03 h MET 46 N 0.09 0.00 0.06 2.24 -0.00 -1.83 -3.30 114.93 112.18 1j03 h MET 46 Ca -0.02 0.00 -0.28 0.00 -0.00 0.00 0.00 59.70 59.40 1j03 h MET 46 Cb 1.35 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.93 1j03 h MET 46 CO 0.11 0.26 -1.45 0.74 -0.00 0.00 0.00 176.91 176.57 1j03 h PHE 47 N 0.00 0.21 -1.97 -0.10 0.04 -1.80 -3.41 116.94 109.90 1j03 h PHE 47 Ca -0.03 -0.16 -0.63 0.00 2.80 0.00 0.00 57.97 59.95 1j03 h PHE 47 Cb 1.27 -0.01 0.03 0.00 2.20 0.00 0.00 35.95 39.45 1j03 h PHE 47 CO 0.00 1.19 0.91 0.00 -0.60 0.00 0.00 178.31 179.81 1j03 n ALA 48 N -2.56 0.62 -2.43 2.45 0.00 -0.21 0.32 120.51 118.70 1j03 n ALA 48 Ca -0.13 0.37 -0.20 0.00 0.00 0.00 0.00 53.44 53.48 1j03 n ALA 48 Cb 1.02 -2.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.10 1j03 n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j03 n GLY 49 N 3.89 -0.46 3.46 0.00 0.00 -1.20 -4.50 105.19 106.38 1j03 n GLY 49 Ca 0.21 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 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 -5.06 0.97 -0.43 1.61 1.02 0.15 -4.02 119.74 113.99 1j03 s LYS 50 Ca 0.02 0.16 -0.24 0.00 0.02 0.00 0.00 55.97 55.94 1j03 s LYS 50 Cb -0.01 0.45 0.02 0.00 -0.52 0.00 0.00 37.83 37.77 1j03 s LYS 50 CO 0.03 -0.29 0.83 0.34 -0.92 0.00 0.00 175.35 175.33 1j03 s ASP 51 N -1.21 6.48 -0.88 2.83 -1.08 -1.26 -3.45 116.67 118.09 1j03 s ASP 51 Ca -0.11 0.09 -0.02 0.00 -0.52 0.00 0.00 52.55 51.99 1j03 s ASP 51 Cb -0.01 -2.41 0.34 0.00 -1.46 0.00 0.00 42.92 39.38 1j03 s ASP 51 CO 0.09 -0.91 1.95 0.00 0.52 0.00 0.00 175.17 176.82 1j03 n ALA 52 N 6.77 6.37 0.03 3.66 0.00 -1.08 0.72 120.51 136.97 1j03 n ALA 52 Ca 0.04 -4.25 -0.11 0.00 0.00 0.00 0.00 53.44 49.11 1j03 n ALA 52 Cb 0.48 -2.01 -0.08 0.00 0.00 0.00 0.00 19.45 17.84 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 3.29 -0.13 -0.26 0.00 4.64 -1.75 -0.93 113.55 118.40 1j03 h SER 53 Ca 0.55 -0.44 -0.07 0.00 -0.47 0.00 0.00 61.79 61.37 1j03 h SER 53 Cb 0.12 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1j03 h SER 53 CO 1.36 0.46 -0.12 0.03 -0.87 0.00 0.00 176.83 177.69 1j03 h ARG 54 N -0.83 0.54 -0.69 4.77 3.08 -1.77 0.36 114.38 119.86 1j03 h ARG 54 Ca -0.02 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 59.81 1j03 h ARG 54 Cb 0.56 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 1j03 h ARG 54 CO 0.03 0.79 0.45 0.00 -1.07 0.00 0.00 179.97 180.17 1j03 h ALA 55 N 0.74 1.53 -0.23 0.04 0.00 -1.26 -1.55 119.26 118.54 1j03 h ALA 55 Ca 0.06 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1j03 h ALA 55 Cb 0.62 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1j03 h ALA 55 CO 0.04 0.43 -0.34 -0.07 0.00 0.00 0.00 179.25 179.31 1j03 h LEU 56 N 0.91 0.69 0.00 0.00 3.38 -0.93 0.45 115.31 119.81 1j03 h LEU 56 Ca 0.26 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1j03 h LEU 56 Cb -0.07 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1j03 h LEU 56 CO -0.06 1.07 0.00 0.61 0.09 0.00 0.00 178.44 180.15 1j03 n GLY 57 N 0.30 -2.92 0.30 0.83 0.00 0.10 -2.40 105.19 101.40 1j03 n GLY 57 Ca -0.05 0.20 0.18 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.04 1.61 6.56 -1.46 -3.41 116.57 115.83 1j03 h LYS 58 Ca 0.00 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.41 1j03 h LYS 58 Cb 0.00 0.00 0.09 0.00 -0.57 0.00 0.00 32.23 31.75 1j03 h LYS 58 CO 0.00 0.03 -0.43 -1.33 -2.06 0.00 0.00 179.45 175.66 1j03 n MET 59 N -3.31 -3.60 -0.07 3.15 2.81 0.13 -4.96 117.12 111.28 1j03 n MET 59 Ca -0.02 0.47 -0.06 0.00 -1.81 0.00 0.00 57.70 56.28 1j03 n MET 59 Cb 0.17 -4.35 -0.12 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 -2.19 1.18 -0.99 7.83 2.88 0.20 -4.98 113.62 117.54 1j03 n SER 60 Ca -0.16 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.25 1j03 n SER 60 Cb 0.59 0.98 -0.06 0.00 -0.75 0.00 0.00 64.21 64.98 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 -2.52 -1.00 -1.98 -1.46 5.02 -1.18 -4.95 118.16 110.09 1j03 n LYS 61 Ca -0.23 0.94 -0.38 0.00 -2.02 0.00 0.00 58.31 56.63 1j03 n LYS 61 Cb 0.94 -5.03 0.02 0.00 -0.02 0.00 0.00 35.03 30.94 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 -2.79 5.57 0.50 4.39 -0.87 -1.26 -4.86 114.94 115.63 1j03 s ASN 62 Ca 0.00 2.55 0.29 0.00 -1.57 0.00 0.00 52.86 54.13 1j03 s ASN 62 Cb 0.00 -2.62 1.24 0.00 -0.02 0.00 0.00 41.25 39.85 1j03 s ASN 62 CO 0.00 -1.35 1.95 -0.08 -2.57 0.00 0.00 177.10 175.05 1j03 h GLU 63 N 1.58 0.00 0.00 -0.60 4.81 -1.92 -2.39 114.58 116.05 1j03 h GLU 63 Ca -0.50 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.63 1j03 h GLU 63 Cb 1.28 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 1j03 h GLU 63 CO 0.58 0.12 -1.34 0.39 -0.73 0.00 0.00 179.01 178.03 1j03 n GLU 64 N -3.31 0.62 0.00 1.92 1.02 -1.26 -3.66 120.64 115.97 1j03 n GLU 64 Ca -0.00 0.14 0.11 0.00 -0.02 0.00 0.00 57.16 57.39 1j03 n GLU 64 Cb 0.34 -1.78 0.50 0.00 -0.02 0.00 0.00 31.44 30.47 1j03 n GLU 64 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1j03 n ASP 65 N -2.75 0.00 -4.52 1.62 9.92 -0.91 -4.43 116.55 115.48 1j03 n ASP 65 Ca -0.06 0.37 -0.42 0.00 -0.53 0.00 0.00 54.79 54.15 1j03 n ASP 65 Cb 0.72 -0.45 -0.03 0.00 -0.64 0.00 0.00 41.12 40.72 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 -2.90 4.26 -0.12 2.53 1.01 -1.13 -1.17 120.40 122.88 1j03 s VAL 66 Ca 0.13 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1j03 s VAL 66 Cb 0.15 -4.96 -0.02 0.00 0.00 0.00 0.00 36.38 31.55 1j03 s VAL 66 CO 0.39 -1.78 -0.13 -0.55 0.00 0.00 0.00 175.10 173.03 1j03 s SER 67 N 4.37 4.06 0.00 3.32 0.15 0.22 -4.56 113.70 121.26 1j03 s SER 67 Ca 0.42 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1j03 s SER 67 Cb -0.02 -1.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 1j03 s SER 67 CO -0.08 0.19 0.73 -0.81 1.20 0.00 0.00 173.24 174.47 1j03 n PRO 68 N 3.34 0.75 -3.74 5.44 -0.04 -1.26 -4.05 135.00 135.45 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 0.53 -1.02 -0.10 0.00 -0.04 0.00 0.00 33.50 32.87 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 -1.18 -0.36 -0.28 3.54 0.15 -1.26 -3.99 113.70 110.32 1j03 s SER 69 Ca 0.00 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1j03 s SER 69 Cb 0.00 0.65 0.25 0.00 -1.71 0.00 0.00 66.02 65.21 1j03 s SER 69 CO 0.00 -0.24 1.80 0.00 1.20 0.00 0.00 173.24 175.99 1j03 n LEU 70 N 2.34 5.82 -2.57 3.45 -0.00 -1.26 -4.69 117.00 120.09 1j03 n LEU 70 Ca -0.16 -2.99 -0.16 0.00 -0.00 0.00 0.00 56.01 52.70 1j03 n LEU 70 Cb 0.57 -0.91 -0.08 0.00 -0.00 0.00 0.00 43.42 43.00 1j03 n LEU 70 CO 0.16 1.05 1.83 -0.62 -0.00 0.00 0.00 177.39 179.82 1j03 n GLU 71 N 0.12 1.87 0.00 1.47 1.02 -1.26 -2.62 120.64 121.23 1j03 n GLU 71 Ca 0.29 -1.09 0.00 0.00 -0.02 0.00 0.00 57.16 56.34 1j03 n GLU 71 Cb 0.76 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 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 3.06 0.31 3.29 0.62 0.00 -1.26 -5.10 105.19 106.10 1j03 n GLY 72 Ca 0.40 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.83 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 0.95 0.00 0.99 4.32 -1.08 -4.89 117.00 117.30 1j03 n LEU 73 Ca 0.00 0.66 -0.03 0.00 -0.02 0.00 0.00 56.01 56.62 1j03 n LEU 73 Cb 0.00 -0.95 0.02 0.00 -1.62 0.00 0.00 43.42 40.88 1j03 n LEU 73 CO 0.00 -0.76 0.09 0.35 -1.22 0.00 0.00 177.39 175.84 1j03 n THR 74 N 6.51 0.00 -0.12 -5.08 -2.24 -1.26 -4.64 114.28 107.46 1j03 n THR 74 Ca 0.52 -0.09 -0.13 0.00 -2.27 0.00 0.00 64.05 62.08 1j03 n THR 74 Cb -0.00 -1.66 -0.03 0.00 -2.10 0.00 0.00 70.33 66.53 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 0.83 -0.22 -0.78 5.08 -1.96 0.84 114.58 118.38 1j03 h GLU 75 Ca -0.05 -0.42 0.06 0.00 -1.00 0.00 0.00 59.36 57.95 1j03 h GLU 75 Cb 0.13 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 1j03 h GLU 75 CO 0.03 1.05 -0.18 1.57 -1.00 0.00 0.00 179.01 180.49 1j03 h LYS 76 N 0.63 -0.17 -0.05 2.33 2.10 -1.97 1.30 116.57 120.73 1j03 h LYS 76 Ca 0.06 0.01 -0.22 0.00 -2.00 0.00 0.00 60.65 58.50 1j03 h LYS 76 Cb 0.87 0.04 0.02 0.00 -0.90 0.00 0.00 32.23 32.26 1j03 h LYS 76 CO 0.08 -0.12 -0.85 1.05 -2.00 0.00 0.00 179.45 177.62 1j03 h GLU 77 N -0.18 0.66 -0.27 0.07 9.09 -1.79 -3.06 114.58 119.09 1j03 h GLU 77 Ca 0.13 -0.65 0.05 0.00 0.05 0.00 0.00 59.36 58.94 1j03 h GLU 77 Cb 0.37 0.17 -0.04 0.00 -1.65 0.00 0.00 28.75 27.59 1j03 h GLU 77 CO -0.32 1.25 0.00 0.82 0.05 0.00 0.00 179.01 180.81 1j03 h ILE 78 N 0.32 0.81 -0.43 -1.06 1.08 0.13 8.67 117.51 127.03 1j03 h ILE 78 Ca -0.09 -0.03 0.09 0.00 -0.39 0.00 0.00 64.86 64.43 1j03 h ILE 78 Cb 1.50 0.71 -0.08 0.00 -3.07 0.00 0.00 36.82 35.88 1j03 h ILE 78 CO 0.17 0.02 -0.11 0.78 -0.69 0.00 0.00 178.15 178.32 1j03 h ASN 79 N 0.09 -0.40 0.07 1.72 2.35 0.16 3.16 115.58 122.73 1j03 h ASN 79 Ca 0.13 0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.90 1j03 h ASN 79 Cb 0.17 0.27 0.01 0.00 0.05 0.00 0.00 38.32 38.82 1j03 h ASN 79 CO -0.22 -0.14 -0.45 0.74 -1.65 0.00 0.00 177.43 175.71 1j03 h THR 80 N -0.00 1.62 0.48 2.81 2.02 -1.22 -2.70 112.91 115.92 1j03 h THR 80 Ca 0.21 -2.39 -0.01 0.00 0.77 0.00 0.00 66.41 64.98 1j03 h THR 80 Cb 0.31 3.21 -0.01 0.00 -1.74 0.00 0.00 68.15 69.92 1j03 h THR 80 CO -0.44 0.66 -0.33 0.25 0.37 0.00 0.00 175.52 176.02 1j03 h LEU 81 N -0.60 -0.85 -0.83 2.58 7.12 1.90 2.61 115.31 127.24 1j03 h LEU 81 Ca -0.08 0.06 0.15 0.00 0.13 0.00 0.00 57.88 58.14 1j03 h LEU 81 Cb 1.33 0.26 -0.10 0.00 -0.53 0.00 0.00 40.66 41.62 1j03 h LEU 81 CO 0.08 -0.50 0.40 -1.13 -0.13 0.00 0.00 178.44 177.17 1j03 h ASN 82 N -0.78 0.46 0.53 1.25 -0.73 0.57 0.45 115.58 117.32 1j03 h ASN 82 Ca -0.05 0.10 -0.16 0.00 1.87 0.00 0.00 56.30 58.06 1j03 h ASN 82 Cb 0.66 0.04 -0.01 0.00 0.27 0.00 0.00 38.32 39.27 1j03 h ASN 82 CO 0.03 0.18 -0.69 0.44 -0.37 0.00 0.00 177.43 177.02 1j03 h ASP 83 N 0.56 0.17 -0.27 1.15 3.32 -1.04 -2.74 116.42 117.57 1j03 h ASP 83 Ca 0.46 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1j03 h ASP 83 Cb 0.69 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1j03 h ASP 83 CO -0.39 0.80 0.17 -0.50 -1.72 0.00 0.00 179.24 177.61 1j03 h TRP 84 N 0.10 0.35 -0.32 4.55 -0.00 0.90 -0.93 115.95 120.60 1j03 h TRP 84 Ca -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.87 1j03 h TRP 84 Cb 1.22 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 30.25 1j03 h TRP 84 CO 0.02 0.22 0.16 1.49 -0.00 0.00 0.00 178.44 180.33 1j03 h GLU 85 N 0.37 0.45 -0.48 0.49 4.22 -0.62 0.18 114.58 119.19 1j03 h GLU 85 Ca 0.10 -0.06 -0.06 0.00 0.08 0.00 0.00 59.36 59.41 1j03 h GLU 85 Cb -0.03 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1j03 h GLU 85 CO -0.02 0.41 0.05 1.15 -2.18 0.00 0.00 179.01 178.42 1j03 h THR 86 N 0.38 1.23 -0.19 0.32 2.02 -1.29 3.71 112.91 119.09 1j03 h THR 86 Ca 0.11 -0.91 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 1j03 h THR 86 Cb 0.10 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1j03 h THR 86 CO -0.01 0.33 -0.00 0.11 0.37 0.00 0.00 175.52 176.31 1j03 h LYS 87 N 0.73 0.34 0.16 6.66 1.57 -0.77 0.85 116.57 126.11 1j03 h LYS 87 Ca 0.15 -0.11 -0.29 0.00 -1.87 0.00 0.00 60.65 58.53 1j03 h LYS 87 Cb 0.38 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.68 1j03 h LYS 87 CO 0.01 0.55 -1.30 0.74 -0.57 0.00 0.00 179.45 178.88 1j03 h PHE 88 N 0.10 0.69 -0.32 -1.35 -1.00 -0.36 -3.15 116.94 111.55 1j03 h PHE 88 Ca 0.05 -0.49 -0.15 0.00 2.81 0.00 0.00 57.97 60.19 1j03 h PHE 88 Cb 0.40 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 1j03 h PHE 88 CO 0.04 1.37 -0.41 1.49 -1.61 0.00 0.00 178.31 179.19 1j03 h GLU 89 N 0.12 0.78 -1.08 1.51 4.57 0.71 2.01 114.58 123.21 1j03 h GLU 89 Ca -0.17 -0.42 -0.32 0.00 -1.18 0.00 0.00 59.36 57.27 1j03 h GLU 89 Cb 2.00 0.02 -0.18 0.00 -0.16 0.00 0.00 28.75 30.43 1j03 h GLU 89 CO 0.23 1.04 0.41 0.00 -1.18 0.00 0.00 179.01 179.51 1j03 n ALA 90 N -2.53 4.49 0.22 2.92 0.00 0.30 -4.27 120.51 121.64 1j03 n ALA 90 Ca -0.02 -1.74 0.00 0.00 0.00 0.00 0.00 53.44 51.68 1j03 n ALA 90 Cb 0.54 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.36 0.00 -3.14 0.00 5.02 -1.03 -4.92 118.16 113.73 1j03 n LYS 91 Ca 0.35 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.25 1j03 n LYS 91 Cb 1.08 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 36.03 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 -1.98 3.81 0.27 2.13 2.02 0.68 -5.04 117.35 119.23 1j03 s TYR 92 Ca 0.00 1.39 -0.30 0.00 -0.37 0.00 0.00 57.07 57.79 1j03 s TYR 92 Cb 0.00 -2.64 -0.09 0.00 -0.40 0.00 0.00 41.96 38.83 1j03 s TYR 92 CO 0.00 0.48 1.08 -1.25 -1.57 0.00 0.00 175.55 174.30 1j03 s PRO 93 N -0.82 4.66 -0.44 -1.71 0.04 -1.24 -4.42 135.00 131.08 1j03 s PRO 93 Ca 0.32 1.77 -0.20 0.00 0.04 0.00 0.00 61.00 62.94 1j03 s PRO 93 Cb -0.20 -3.20 0.03 0.00 0.04 0.00 0.00 34.50 31.16 1j03 s PRO 93 CO 0.21 0.23 0.59 0.08 0.04 0.00 0.00 177.00 178.16 1j03 s VAL 94 N -1.11 4.89 -0.92 -0.36 1.01 -1.26 0.34 120.40 122.99 1j03 s VAL 94 Ca 0.44 -0.07 0.25 0.00 0.00 0.00 0.00 61.98 62.60 1j03 s VAL 94 Cb -0.31 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 31.91 1j03 s VAL 94 CO 0.40 -0.59 1.40 1.33 0.00 0.00 0.00 175.10 177.65 1j03 n VAL 95 N 5.73 0.07 0.00 2.92 0.24 -1.21 -5.00 118.33 121.08 1j03 n VAL 95 Ca -0.04 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1j03 n VAL 95 Cb 0.47 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 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 1.47 -0.51 3.16 7.63 0.00 -1.24 -3.84 105.19 111.86 1j03 n GLY 96 Ca 0.05 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 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 2.59 0.19 1.61 3.03 -1.26 -0.15 118.95 122.96 1j03 s ARG 97 Ca 0.00 -0.73 -0.33 0.00 2.03 0.00 0.00 55.73 56.70 1j03 s ARG 97 Cb 0.00 -2.00 -0.15 0.00 -1.03 0.00 0.00 34.95 31.77 1j03 s ARG 97 CO 0.00 0.14 1.28 0.28 -1.13 0.00 0.00 175.30 175.87 1j03 n VAL 98 N 3.58 0.79 0.00 4.99 0.31 0.64 -3.00 118.33 125.64 1j03 n VAL 98 Ca -0.20 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1j03 n VAL 98 Cb 0.53 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 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 1.81 0.00 1.66 2.52 0.24 -1.11 -4.67 118.33 118.78 1j03 n VAL 99 Ca 0.14 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.58 1j03 n VAL 99 Cb 0.27 -0.28 0.79 0.00 -1.47 0.00 0.00 33.84 33.15 1j03 n VAL 99 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45