#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 0.77 -0.03 1.61 -0.04 -1.26 -4.93 135.00 131.12 1j03 n PRO 0 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1j03 n PRO 0 Cb 0.00 0.00 0.21 0.00 -0.04 0.00 0.00 33.50 33.67 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 0.59 -4.46 0.54 2.86 -1.95 -3.48 114.93 109.03 1j03 h MET 1 Ca 0.00 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1j03 h MET 1 Cb 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1j03 h MET 1 CO 0.00 0.70 -0.86 0.39 1.06 0.00 0.00 176.91 178.20 1j03 n GLU 2 N -4.19 -4.82 -4.47 1.72 1.02 -1.26 -4.95 120.64 103.70 1j03 n GLU 2 Ca 0.01 3.44 -0.34 0.00 -0.02 0.00 0.00 57.16 60.25 1j03 n GLU 2 Cb 0.34 -4.05 -0.12 0.00 -0.02 0.00 0.00 31.44 27.58 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 -0.49 2.99 0.57 -0.32 0.40 -1.16 -4.85 117.98 115.11 1j03 s PHE 3 Ca 0.00 -0.35 -0.12 0.00 -0.60 0.00 0.00 56.93 55.86 1j03 s PHE 3 Cb 0.00 -1.94 -0.05 0.00 0.51 0.00 0.00 43.02 41.54 1j03 s PHE 3 CO 0.00 -0.06 0.99 0.95 0.70 0.00 0.00 175.22 177.80 1j03 s THR 4 N 0.35 4.69 0.57 0.64 -4.23 -1.26 -2.89 115.64 113.52 1j03 s THR 4 Ca -0.05 0.89 0.28 0.00 -1.18 0.00 0.00 61.69 61.63 1j03 s THR 4 Cb -0.14 -3.83 0.39 0.00 1.34 0.00 0.00 72.50 70.26 1j03 s THR 4 CO 0.03 -0.99 1.94 0.00 -0.54 0.00 0.00 174.62 175.06 1j03 h ALA 5 N 0.08 2.27 -0.05 3.99 0.00 -1.93 1.40 119.26 125.02 1j03 h ALA 5 Ca -0.45 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 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 0.62 -0.70 -0.19 0.93 0.00 0.00 0.00 179.25 179.91 1j03 h GLU 6 N 0.00 0.22 -0.10 0.00 5.08 -1.97 -1.88 114.58 115.93 1j03 h GLU 6 Ca 0.23 -0.17 -0.19 0.00 -1.00 0.00 0.00 59.36 58.23 1j03 h GLU 6 Cb 1.13 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.42 1j03 h GLU 6 CO -0.00 0.80 -0.68 1.96 -1.00 0.00 0.00 179.01 180.09 1j03 h GLN 7 N -0.31 0.64 -0.58 2.33 7.50 -1.11 -3.10 115.11 120.48 1j03 h GLN 7 Ca -0.01 -0.55 0.04 0.00 0.50 0.00 0.00 58.65 58.63 1j03 h GLN 7 Cb 0.83 0.12 -0.03 0.00 0.05 0.00 0.00 27.48 28.45 1j03 h GLN 7 CO 0.04 1.17 0.38 1.25 -1.50 0.00 0.00 178.83 180.17 1j03 h LEU 8 N 0.29 0.54 0.00 1.46 5.85 0.17 0.52 115.31 124.14 1j03 h LEU 8 Ca -0.06 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1j03 h LEU 8 Cb 1.33 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1j03 h LEU 8 CO 0.14 0.37 0.00 -0.24 -0.34 0.00 0.00 178.44 178.36 1j03 n SER 9 N -4.47 0.00 -1.48 1.25 2.88 -0.71 -1.39 113.62 109.71 1j03 n SER 9 Ca 0.07 0.20 0.08 0.00 -1.33 0.00 0.00 58.87 57.90 1j03 n SER 9 Cb 0.18 -0.35 0.34 0.00 -0.75 0.00 0.00 64.21 63.63 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 -1.35 3.88 -3.01 -1.46 6.02 0.18 -4.47 117.38 117.17 1j03 n GLN 10 Ca 0.06 -2.91 -0.15 0.00 -0.01 0.00 0.00 57.00 53.99 1j03 n GLN 10 Cb 0.13 -1.95 -0.01 0.00 1.02 0.00 0.00 30.24 29.43 1j03 n GLN 10 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1j03 n TYR 11 N 0.63 0.32 0.29 1.08 4.01 -0.48 -4.78 117.16 118.23 1j03 n TYR 11 Ca 0.25 -3.44 0.09 0.00 -0.16 0.00 0.00 57.90 54.63 1j03 n TYR 11 Cb 0.95 -0.31 0.14 0.00 -0.31 0.00 0.00 39.34 39.81 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 0.17 2.88 -1.72 7.72 0.23 -1.26 -0.80 115.26 122.49 1j03 n ASN 12 Ca 0.19 -1.84 -0.01 0.00 -0.53 0.00 0.00 54.58 52.39 1j03 n ASN 12 Cb 0.71 -0.16 -0.01 0.00 -2.08 0.00 0.00 39.78 38.25 1j03 n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1j03 n GLY 13 N 1.03 -3.30 0.00 4.83 0.00 -1.26 -3.68 105.19 102.81 1j03 n GLY 13 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.26 0.00 -0.10 2.61 5.66 -1.26 0.20 114.28 121.65 1j03 n THR 14 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1j03 n THR 14 Cb 0.08 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.86 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 -1.50 0.00 1.09 9.92 -1.26 -4.97 116.55 119.83 1j03 n ASP 15 Ca 0.00 -0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.16 1j03 n ASP 15 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 -1.60 0.00 -0.31 -1.24 1.02 -1.26 -4.40 120.64 112.85 1j03 n GLU 16 Ca 0.00 0.01 0.08 0.00 -0.02 0.00 0.00 57.16 57.23 1j03 n GLU 16 Cb 0.00 -0.53 0.17 0.00 -0.02 0.00 0.00 31.44 31.06 1j03 n GLU 16 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1j03 n SER 17 N -0.04 2.24 -4.74 1.62 2.88 -1.26 -5.05 113.62 109.27 1j03 n SER 17 Ca 0.00 -3.39 -0.42 0.00 -1.33 0.00 0.00 58.87 53.73 1j03 n SER 17 Cb 0.00 -0.48 -0.02 0.00 -0.75 0.00 0.00 64.21 62.96 1j03 n SER 17 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1j03 s LYS 18 N -3.02 4.15 0.74 -1.46 3.01 -1.26 -4.98 119.74 116.93 1j03 s LYS 18 Ca 0.35 2.52 -0.11 0.00 -1.01 0.00 0.00 55.97 57.72 1j03 s LYS 18 Cb 0.32 -3.05 0.04 0.00 -1.01 0.00 0.00 37.83 34.12 1j03 s LYS 18 CO -0.00 -0.61 1.08 -1.25 0.51 0.00 0.00 175.35 175.08 1j03 s PRO 19 N -0.16 2.54 -0.25 -1.68 0.04 -1.26 -4.60 135.00 129.63 1j03 s PRO 19 Ca 0.64 0.81 -0.08 0.00 0.04 0.00 0.00 61.00 62.41 1j03 s PRO 19 Cb -0.47 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 1j03 s PRO 19 CO 0.44 -1.34 0.10 0.42 0.04 0.00 0.00 177.00 176.66 1j03 s ILE 20 N -3.10 4.65 0.02 0.56 1.09 -1.26 -4.19 121.20 118.98 1j03 s ILE 20 Ca 0.59 -0.06 0.05 0.00 -1.10 0.00 0.00 60.65 60.13 1j03 s ILE 20 Cb -0.14 -3.17 -0.02 0.00 -1.06 0.00 0.00 42.46 38.07 1j03 s ILE 20 CO 0.55 0.33 -0.14 -0.31 -0.10 0.00 0.00 174.94 175.27 1j03 s TYR 21 N 1.45 1.25 0.15 3.97 2.02 0.02 -2.95 117.35 123.27 1j03 s TYR 21 Ca 0.06 -0.31 0.11 0.00 -0.37 0.00 0.00 57.07 56.55 1j03 s TYR 21 Cb -0.15 -0.76 -0.04 0.00 -0.40 0.00 0.00 41.96 40.61 1j03 s TYR 21 CO 0.05 0.02 -0.24 0.08 -1.57 0.00 0.00 175.55 173.89 1j03 s VAL 22 N -0.68 2.18 -0.11 0.71 1.01 0.51 -3.07 120.40 120.95 1j03 s VAL 22 Ca 0.03 -1.85 -0.02 0.00 0.00 0.00 0.00 61.98 60.14 1j03 s VAL 22 Cb -0.07 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1j03 s VAL 22 CO 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 175.10 175.03 1j03 s ALA 23 N -1.41 3.11 -0.14 5.51 0.00 -1.20 0.35 121.76 127.98 1j03 s ALA 23 Ca 0.16 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 1j03 s ALA 23 Cb -0.09 -1.45 0.06 0.00 0.00 0.00 0.00 23.12 21.64 1j03 s ALA 23 CO 0.07 0.45 0.09 0.42 0.00 0.00 0.00 175.76 176.79 1j03 s ILE 24 N -0.41 -0.11 -1.94 0.00 1.01 0.40 -3.16 121.20 116.98 1j03 s ILE 24 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.70 1j03 s ILE 24 Cb -0.12 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 41.87 1j03 s ILE 24 CO 0.02 -0.17 0.00 0.29 0.00 0.00 0.00 174.94 175.09 1j03 n LYS 25 N 5.29 -1.41 -0.12 2.79 4.76 -1.26 0.55 118.16 128.76 1j03 n LYS 25 Ca -0.06 1.08 0.00 0.00 -2.87 0.00 0.00 58.31 56.46 1j03 n LYS 25 Cb 0.49 -5.43 0.00 0.00 -1.84 0.00 0.00 35.03 28.26 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 -0.33 0.93 3.40 0.72 0.00 -1.26 -4.87 105.19 103.78 1j03 n GLY 26 Ca -0.18 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.55 3.48 -0.17 1.61 3.52 0.19 0.20 118.95 127.24 1j03 s ARG 27 Ca 0.00 -0.62 -0.26 0.00 -0.13 0.00 0.00 55.73 54.72 1j03 s ARG 27 Cb 0.00 -2.79 -0.01 0.00 -1.56 0.00 0.00 34.95 30.58 1j03 s ARG 27 CO 0.00 0.15 0.85 0.08 -0.81 0.00 0.00 175.30 175.56 1j03 s VAL 28 N 0.56 4.87 0.18 7.11 1.01 0.47 0.15 120.40 134.75 1j03 s VAL 28 Ca -0.06 1.66 0.11 0.00 0.00 0.00 0.00 61.98 63.70 1j03 s VAL 28 Cb -0.15 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1j03 s VAL 28 CO 0.03 0.02 -0.24 -0.36 0.00 0.00 0.00 175.10 174.55 1j03 s PHE 29 N 2.18 2.27 -0.21 5.22 0.08 1.08 -3.01 117.98 125.58 1j03 s PHE 29 Ca 0.39 -0.37 -0.08 0.00 0.12 0.00 0.00 56.93 57.00 1j03 s PHE 29 Cb -0.17 -1.14 -0.04 0.00 -0.57 0.00 0.00 43.02 41.10 1j03 s PHE 29 CO 0.12 0.47 0.08 0.34 -0.10 0.00 0.00 175.22 176.13 1j03 s ASP 30 N -2.58 5.48 -0.01 1.36 2.15 0.15 0.19 116.67 123.41 1j03 s ASP 30 Ca 0.19 -0.03 0.02 0.00 0.43 0.00 0.00 52.55 53.16 1j03 s ASP 30 Cb -0.08 -1.96 0.02 0.00 -0.30 0.00 0.00 42.92 40.60 1j03 s ASP 30 CO 0.09 0.08 0.92 1.33 -0.17 0.00 0.00 175.17 177.43 1j03 n VAL 31 N 4.15 0.88 0.00 1.11 0.24 -1.15 -3.53 118.33 120.04 1j03 n VAL 31 Ca -0.16 -0.91 0.23 0.00 -2.04 0.00 0.00 64.34 61.45 1j03 n VAL 31 Cb 0.52 0.53 0.73 0.00 -1.47 0.00 0.00 33.84 34.14 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 0.67 0.48 0.00 3.34 1.03 -1.92 0.27 112.91 116.78 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 0.65 0.63 0.00 0.00 -1.07 0.00 0.00 68.15 68.36 1j03 h THR 32 CO 0.00 0.00 0.12 1.07 -0.01 0.00 0.00 175.52 176.70 1j03 n THR 33 N -3.96 1.35 -2.70 0.00 5.66 -1.26 -1.53 114.28 111.83 1j03 n THR 33 Ca 0.11 0.46 -0.05 0.00 -3.05 0.00 0.00 64.05 61.52 1j03 n THR 33 Cb 0.72 -1.46 0.10 0.00 -1.55 0.00 0.00 70.33 68.13 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 -1.33 1.61 0.39 1.09 0.00 0.95 -4.93 105.19 102.97 1j03 n GLY 34 Ca 0.00 -0.46 0.19 0.00 0.00 0.00 0.00 46.02 45.75 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 1.99 0.00 0.00 1.61 2.10 -1.23 0.67 116.57 121.71 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 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1j03 h LYS 35 CO 0.03 0.00 0.18 1.03 -2.00 0.00 0.00 179.45 178.69 1j03 h SER 36 N 0.00 0.00 0.00 7.07 0.87 -1.90 5.05 113.55 124.64 1j03 h SER 36 Ca 0.17 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.49 1j03 h SER 36 Cb 1.22 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.14 1j03 h SER 36 CO -0.00 0.00 -1.87 0.49 -0.53 0.00 0.00 176.83 174.92 1j03 n PHE 37 N -2.61 0.00 -0.03 2.24 3.72 0.23 -4.31 117.46 116.71 1j03 n PHE 37 Ca -0.02 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.18 1j03 n PHE 37 Cb 0.22 -0.58 -0.14 0.00 -0.94 0.00 0.00 39.48 38.05 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 -3.19 0.95 -0.68 1.38 4.01 -0.85 0.37 117.16 119.17 1j03 n TYR 38 Ca -0.28 0.21 -0.19 0.00 -0.16 0.00 0.00 57.90 57.47 1j03 n TYR 38 Cb 0.77 -1.13 0.10 0.00 -0.31 0.00 0.00 39.34 38.77 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 2.03 -2.24 2.92 2.72 0.00 1.64 -4.42 105.19 107.85 1j03 n GLY 39 Ca -0.34 -0.51 -0.46 0.00 0.00 0.00 0.00 46.02 44.71 1j03 n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j03 n SER 40 N 0.47 -0.38 -3.02 1.61 7.64 0.54 -2.39 113.62 118.08 1j03 n SER 40 Ca 0.02 0.97 -0.30 0.00 1.01 0.00 0.00 58.87 60.57 1j03 n SER 40 Cb 0.38 -0.79 0.03 0.00 -1.01 0.00 0.00 64.21 62.82 1j03 n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j03 n GLY 41 N 1.42 0.15 3.33 0.23 0.00 -1.26 -4.96 105.19 104.09 1j03 n GLY 41 Ca 0.16 0.88 -0.19 0.00 0.00 0.00 0.00 46.02 46.87 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 -1.15 2.18 0.23 -0.02 0.00 -1.00 -4.94 107.32 102.61 1j03 s GLY 42 Ca 0.29 -1.97 -0.12 0.00 0.00 0.00 0.00 44.72 42.92 1j03 s GLY 42 CO 0.66 -1.38 1.61 -1.80 0.00 0.00 0.00 173.10 172.19 1j03 h ASP 43 N 2.13 -0.71 -2.24 1.64 1.82 0.66 -0.53 116.42 119.19 1j03 h ASP 43 Ca -0.26 0.22 -0.80 0.00 -0.39 0.00 0.00 57.03 55.81 1j03 h ASP 43 Cb 1.23 0.46 -0.28 0.00 0.68 0.00 0.00 39.33 41.43 1j03 h ASP 43 CO 0.37 -0.25 0.97 -1.22 -1.61 0.00 0.00 179.24 177.50 1j03 n TYR 44 N -5.49 2.83 0.08 0.28 4.01 0.50 -4.67 117.16 114.71 1j03 n TYR 44 Ca 0.10 -2.61 -0.07 0.00 -0.16 0.00 0.00 57.90 55.16 1j03 n TYR 44 Cb 0.38 -1.17 0.06 0.00 -0.31 0.00 0.00 39.34 38.30 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 4.11 0.26 1.06 7.72 0.87 -1.23 -0.70 113.55 125.64 1j03 h SER 45 Ca 0.52 -0.18 -0.18 0.00 -1.23 0.00 0.00 61.79 60.72 1j03 h SER 45 Cb 0.32 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1j03 h SER 45 CO 1.18 0.90 -0.97 0.00 -0.53 0.00 0.00 176.83 177.40 1j03 h MET 46 N 0.14 0.00 0.11 2.24 -0.00 -1.84 -3.30 114.93 112.27 1j03 h MET 46 Ca -0.02 0.00 -0.27 0.00 -0.00 0.00 0.00 59.70 59.41 1j03 h MET 46 Cb 1.29 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.90 1j03 h MET 46 CO 0.11 0.72 -1.19 0.74 -0.00 0.00 0.00 176.91 177.30 1j03 h PHE 47 N 0.00 0.65 -1.56 -0.10 0.04 -1.83 -3.41 116.94 110.73 1j03 h PHE 47 Ca -0.06 -0.43 -0.73 0.00 2.80 0.00 0.00 57.97 59.55 1j03 h PHE 47 Cb 1.67 -0.04 0.02 0.00 2.20 0.00 0.00 35.95 39.79 1j03 h PHE 47 CO 0.00 1.30 0.82 0.00 -0.60 0.00 0.00 178.31 179.83 1j03 n ALA 48 N -2.57 -0.35 -2.64 2.45 0.00 -0.28 0.12 120.51 117.24 1j03 n ALA 48 Ca -0.10 0.41 -0.18 0.00 0.00 0.00 0.00 53.44 53.57 1j03 n ALA 48 Cb 0.97 -2.20 0.01 0.00 0.00 0.00 0.00 19.45 18.24 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 3.91 -0.35 3.43 0.00 0.00 -1.18 -4.69 105.19 106.32 1j03 n GLY 49 Ca 0.25 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 -5.23 1.00 -1.02 1.61 1.02 0.34 -3.94 119.74 113.51 1j03 s LYS 50 Ca 0.14 -0.01 -0.19 0.00 0.02 0.00 0.00 55.97 55.93 1j03 s LYS 50 Cb -0.06 0.46 0.12 0.00 -0.52 0.00 0.00 37.83 37.83 1j03 s LYS 50 CO 0.17 -0.33 1.29 0.34 -0.92 0.00 0.00 175.35 175.90 1j03 s ASP 51 N -1.54 6.69 -0.35 2.83 -1.08 -1.26 -3.22 116.67 118.74 1j03 s ASP 51 Ca -0.09 -2.10 -0.06 0.00 -0.52 0.00 0.00 52.55 49.78 1j03 s ASP 51 Cb -0.01 -2.45 -0.15 0.00 -1.46 0.00 0.00 42.92 38.85 1j03 s ASP 51 CO 0.04 -1.11 3.28 0.00 0.52 0.00 0.00 175.17 177.90 1j03 n ALA 52 N 7.03 6.55 -0.03 3.66 0.00 -1.19 0.12 120.51 136.65 1j03 n ALA 52 Ca 0.30 -2.43 -0.15 0.00 0.00 0.00 0.00 53.44 51.16 1j03 n ALA 52 Cb 0.48 -2.41 -0.11 0.00 0.00 0.00 0.00 19.45 17.41 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 0.18 -0.21 0.00 4.64 -1.75 -1.63 113.55 118.07 1j03 h SER 53 Ca 0.34 -0.73 -0.06 0.00 -0.47 0.00 0.00 61.79 60.88 1j03 h SER 53 Cb 1.12 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1j03 h SER 53 CO 0.62 0.89 -0.09 0.03 -0.87 0.00 0.00 176.83 177.41 1j03 h ARG 54 N -0.50 0.44 -0.72 4.77 3.08 -1.77 0.43 114.38 120.10 1j03 h ARG 54 Ca -0.02 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 59.87 1j03 h ARG 54 Cb 0.90 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.90 1j03 h ARG 54 CO 0.04 0.71 0.47 0.00 -1.07 0.00 0.00 179.97 180.12 1j03 h ALA 55 N 0.72 1.55 -0.32 0.04 0.00 -1.72 -0.73 119.26 118.80 1j03 h ALA 55 Ca 0.05 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1j03 h ALA 55 Cb 0.57 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1j03 h ALA 55 CO 0.03 0.39 -0.47 -0.07 0.00 0.00 0.00 179.25 179.13 1j03 h LEU 56 N 0.91 0.96 0.00 0.00 3.38 -1.08 0.43 115.31 119.91 1j03 h LEU 56 Ca 0.28 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1j03 h LEU 56 Cb -0.01 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1j03 h LEU 56 CO -0.07 1.28 0.00 0.61 0.09 0.00 0.00 178.44 180.35 1j03 n GLY 57 N 0.29 -2.79 0.32 0.83 0.00 0.12 -2.97 105.19 100.99 1j03 n GLY 57 Ca -0.04 0.01 0.20 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.87 1.61 6.56 -1.33 -3.41 116.57 116.12 1j03 h LYS 58 Ca 0.00 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 59.39 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 0.01 -0.40 -1.33 -2.06 0.00 0.00 179.45 175.67 1j03 n MET 59 N -3.31 -3.99 -0.09 3.15 2.81 0.13 -4.96 117.12 110.87 1j03 n MET 59 Ca -0.03 0.47 -0.16 0.00 -1.81 0.00 0.00 57.70 56.16 1j03 n MET 59 Cb 0.11 -4.37 -0.13 0.00 -0.71 0.00 0.00 33.22 28.12 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 -1.68 1.55 -0.09 7.83 2.88 -0.17 -4.98 113.62 118.97 1j03 n SER 60 Ca -0.09 0.01 -0.01 0.00 -1.33 0.00 0.00 58.87 57.45 1j03 n SER 60 Cb 0.57 -0.21 -0.01 0.00 -0.75 0.00 0.00 64.21 63.81 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 -3.19 -0.36 -2.00 -1.46 5.02 -1.21 -4.97 118.16 109.98 1j03 n LYS 61 Ca -0.38 0.25 -0.41 0.00 -2.02 0.00 0.00 58.31 55.75 1j03 n LYS 61 Cb 1.04 -3.66 -0.02 0.00 -0.02 0.00 0.00 35.03 32.37 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 -2.27 6.63 0.55 4.39 -0.87 -1.26 -4.85 114.94 117.26 1j03 s ASN 62 Ca 0.00 2.74 0.33 0.00 -1.57 0.00 0.00 52.86 54.36 1j03 s ASN 62 Cb 0.00 -2.64 1.56 0.00 -0.02 0.00 0.00 41.25 40.15 1j03 s ASN 62 CO 0.00 -0.69 2.07 -0.08 -2.57 0.00 0.00 177.10 175.83 1j03 h GLU 63 N 4.31 0.00 0.00 -0.60 4.81 -1.93 -1.53 114.58 119.63 1j03 h GLU 63 Ca -0.47 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 1j03 h GLU 63 Cb 1.22 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 1j03 h GLU 63 CO 0.73 0.07 -1.14 0.39 -0.73 0.00 0.00 179.01 178.32 1j03 n GLU 64 N -3.30 0.61 -0.06 1.92 -0.58 -1.26 -4.06 120.64 113.92 1j03 n GLU 64 Ca -0.01 0.10 -0.13 0.00 -0.42 0.00 0.00 57.16 56.70 1j03 n GLU 64 Cb 0.25 -1.79 -0.07 0.00 -0.57 0.00 0.00 31.44 29.26 1j03 n GLU 64 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1j03 h ASP 65 N 0.00 0.41 -1.55 1.62 5.19 -1.65 -3.43 116.42 117.00 1j03 h ASP 65 Ca -0.01 -0.47 -0.70 0.00 -0.62 0.00 0.00 57.03 55.23 1j03 h ASP 65 Cb 1.05 -0.11 0.01 0.00 0.18 0.00 0.00 39.33 40.45 1j03 h ASP 65 CO 0.00 0.79 1.05 0.55 -3.12 0.00 0.00 179.24 178.51 1j03 n VAL 66 N -4.54 0.35 -4.26 -1.35 3.14 -1.05 -4.15 118.33 106.47 1j03 n VAL 66 Ca -0.06 -0.10 -0.24 0.00 -2.96 0.00 0.00 64.34 60.98 1j03 n VAL 66 Cb 0.36 -1.44 -0.17 0.00 -1.06 0.00 0.00 33.84 31.54 1j03 n VAL 66 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1j03 s SER 67 N 4.39 1.75 0.00 6.55 1.04 0.33 -4.79 113.70 122.96 1j03 s SER 67 Ca 1.00 -0.26 0.10 0.00 0.48 0.00 0.00 55.95 57.27 1j03 s SER 67 Cb -0.96 -0.75 0.62 0.00 0.10 0.00 0.00 66.02 65.04 1j03 s SER 67 CO 0.60 -0.04 1.20 -0.81 0.98 0.00 0.00 173.24 175.17 1j03 n PRO 68 N 4.27 0.75 -3.94 4.02 -0.04 -1.26 -4.33 135.00 134.47 1j03 n PRO 68 Ca -0.19 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.18 1j03 n PRO 68 Cb 0.51 -1.22 -0.09 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 -1.58 0.21 -0.11 3.54 1.04 -1.26 -4.21 113.70 111.32 1j03 s SER 69 Ca 0.16 -0.58 -0.06 0.00 0.48 0.00 0.00 55.95 55.95 1j03 s SER 69 Cb 0.07 0.23 -0.21 0.00 0.10 0.00 0.00 66.02 66.21 1j03 s SER 69 CO 0.12 -0.52 3.47 0.00 0.98 0.00 0.00 173.24 177.28 1j03 n LEU 70 N 0.69 5.53 -2.77 2.42 -0.00 -1.26 -4.51 117.00 117.09 1j03 n LEU 70 Ca -0.18 -3.36 -0.37 0.00 -0.00 0.00 0.00 56.01 52.10 1j03 n LEU 70 Cb 0.59 -1.39 0.03 0.00 -0.00 0.00 0.00 43.42 42.65 1j03 n LEU 70 CO 0.23 1.71 1.23 -0.62 -0.00 0.00 0.00 177.39 179.95 1j03 n GLU 71 N 2.24 2.91 0.00 1.47 1.02 -1.26 -4.37 120.64 122.64 1j03 n GLU 71 Ca 0.45 -3.73 0.00 0.00 -0.02 0.00 0.00 57.16 53.86 1j03 n GLU 71 Cb 0.84 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 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 -0.55 0.19 3.48 0.62 0.00 -1.26 -5.09 105.19 102.57 1j03 n GLY 72 Ca 0.51 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.11 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 0.90 0.00 0.99 7.99 -1.26 -4.88 117.00 120.75 1j03 n LEU 73 Ca 0.00 0.10 -0.14 0.00 -0.01 0.00 0.00 56.01 55.96 1j03 n LEU 73 Cb 0.00 -1.09 0.09 0.00 -0.11 0.00 0.00 43.42 42.32 1j03 n LEU 73 CO 0.00 -0.91 0.41 0.35 -1.51 0.00 0.00 177.39 175.73 1j03 n THR 74 N 7.49 0.00 -0.09 -5.08 -2.24 -1.26 -4.73 114.28 108.37 1j03 n THR 74 Ca 0.57 -0.55 -0.12 0.00 -2.27 0.00 0.00 64.05 61.68 1j03 n THR 74 Cb 0.15 -1.62 -0.04 0.00 -2.10 0.00 0.00 70.33 66.71 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 0.50 -0.49 -0.78 5.08 -1.96 0.97 114.58 117.89 1j03 h GLU 75 Ca -0.21 -0.20 0.09 0.00 -1.00 0.00 0.00 59.36 58.05 1j03 h GLU 75 Cb 0.60 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.74 1j03 h GLU 75 CO 0.16 0.73 0.01 1.57 -1.00 0.00 0.00 179.01 180.48 1j03 h LYS 76 N 0.24 0.12 -0.03 2.33 2.10 -1.99 -0.39 116.57 118.95 1j03 h LYS 76 Ca 0.06 -0.01 -0.25 0.00 -2.00 0.00 0.00 60.65 58.45 1j03 h LYS 76 Cb 0.55 -0.03 0.02 0.00 -0.90 0.00 0.00 32.23 31.87 1j03 h LYS 76 CO 0.03 0.08 -0.97 1.05 -2.00 0.00 0.00 179.45 177.64 1j03 h GLU 77 N 0.13 0.71 -0.52 0.07 -0.00 -1.81 -2.78 114.58 110.38 1j03 h GLU 77 Ca 0.25 -0.72 0.15 0.00 -0.00 0.00 0.00 59.36 59.04 1j03 h GLU 77 Cb 0.37 0.19 -0.02 0.00 -0.00 0.00 0.00 28.75 29.29 1j03 h GLU 77 CO -0.40 1.30 0.59 0.82 -0.00 0.00 0.00 179.01 181.32 1j03 h ILE 78 N 0.40 0.29 0.11 -1.06 2.04 0.19 6.60 117.51 126.09 1j03 h ILE 78 Ca -0.11 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.48 1j03 h ILE 78 Cb 1.62 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1j03 h ILE 78 CO 0.19 0.00 -1.40 0.78 0.00 0.00 0.00 178.15 177.72 1j03 h ASN 79 N 0.00 0.36 0.05 1.72 2.35 -0.99 -2.95 115.58 116.13 1j03 h ASN 79 Ca 0.25 -0.85 -0.08 0.00 -0.55 0.00 0.00 56.30 55.07 1j03 h ASN 79 Cb 1.42 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 39.68 1j03 h ASN 79 CO -0.00 1.61 -0.37 0.74 -1.65 0.00 0.00 177.43 177.76 1j03 h THR 80 N -0.33 1.64 0.31 2.81 2.02 0.05 -2.94 112.91 116.47 1j03 h THR 80 Ca -0.30 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.53 1j03 h THR 80 Cb 1.74 3.21 -0.02 0.00 -1.74 0.00 0.00 68.15 71.34 1j03 h THR 80 CO 0.05 0.64 -0.31 0.25 0.37 0.00 0.00 175.52 176.52 1j03 h LEU 81 N -0.66 -0.83 -0.36 2.58 7.12 1.33 1.03 115.31 125.51 1j03 h LEU 81 Ca -0.06 0.07 0.07 0.00 0.13 0.00 0.00 57.88 58.09 1j03 h LEU 81 Cb 1.25 0.28 -0.09 0.00 -0.53 0.00 0.00 40.66 41.58 1j03 h LEU 81 CO 0.07 -0.44 -0.41 0.78 -0.13 0.00 0.00 178.44 178.32 1j03 h ASN 82 N -0.64 -1.34 -0.41 1.25 -0.26 -1.55 0.58 115.58 113.21 1j03 h ASN 82 Ca -0.01 0.21 0.01 0.00 -0.56 0.00 0.00 56.30 55.94 1j03 h ASN 82 Cb 0.59 0.59 -0.02 0.00 -1.06 0.00 0.00 38.32 38.41 1j03 h ASN 82 CO -0.06 -0.37 0.28 0.44 -1.06 0.00 0.00 177.43 176.66 1j03 h ASP 83 N -0.34 0.47 -0.74 5.81 5.19 -1.28 0.63 116.42 126.16 1j03 h ASP 83 Ca 0.13 -0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.54 1j03 h ASP 83 Cb 0.58 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 39.94 1j03 h ASP 83 CO -0.54 0.34 0.49 -0.50 -3.12 0.00 0.00 179.24 175.91 1j03 h TRP 84 N 0.55 0.93 -0.48 4.55 -0.00 0.61 -0.61 115.95 121.50 1j03 h TRP 84 Ca 0.15 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 59.05 1j03 h TRP 84 Cb -0.05 -0.31 -0.02 0.00 -0.00 0.00 0.00 29.16 28.77 1j03 h TRP 84 CO -0.00 0.58 0.23 1.49 -0.00 0.00 0.00 178.44 180.74 1j03 h GLU 85 N 1.00 0.70 -0.22 0.49 4.22 0.19 0.22 114.58 121.18 1j03 h GLU 85 Ca 0.28 -0.11 -0.04 0.00 0.08 0.00 0.00 59.36 59.57 1j03 h GLU 85 Cb -0.10 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 1j03 h GLU 85 CO -0.06 0.60 -0.05 0.00 -2.18 0.00 0.00 179.01 177.32 1j03 h THR 86 N 0.64 1.17 -0.10 0.32 1.03 -0.93 2.48 112.91 117.51 1j03 h THR 86 Ca 0.17 -0.69 -0.16 0.00 -0.01 0.00 0.00 66.41 65.72 1j03 h THR 86 Cb 0.13 1.06 0.01 0.00 -1.07 0.00 0.00 68.15 68.28 1j03 h THR 86 CO -0.02 0.22 -0.55 0.11 -0.01 0.00 0.00 175.52 175.28 1j03 h LYS 87 N 0.32 0.55 0.06 0.00 1.57 -0.51 0.12 116.57 118.67 1j03 h LYS 87 Ca 0.07 -0.46 -0.26 0.00 -1.87 0.00 0.00 60.65 58.14 1j03 h LYS 87 Cb 0.30 0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.72 1j03 h LYS 87 CO 0.01 1.08 -1.09 0.74 -0.57 0.00 0.00 179.45 179.63 1j03 h PHE 88 N 0.16 0.72 -0.01 -1.35 -1.00 -0.12 -2.76 116.94 112.58 1j03 h PHE 88 Ca -0.04 -0.43 -0.14 0.00 2.81 0.00 0.00 57.97 60.17 1j03 h PHE 88 Cb 1.19 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 40.67 1j03 h PHE 88 CO 0.11 1.28 -0.63 0.93 -1.61 0.00 0.00 178.31 178.39 1j03 h GLU 89 N 0.22 0.05 -0.78 1.51 4.39 0.42 1.92 114.58 122.32 1j03 h GLU 89 Ca -0.12 -0.04 -0.18 0.00 0.34 0.00 0.00 59.36 59.36 1j03 h GLU 89 Cb 1.75 0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 30.30 1j03 h GLU 89 CO 0.19 0.66 0.23 0.00 -1.16 0.00 0.00 179.01 178.93 1j03 n ALA 90 N -2.43 4.31 0.05 3.43 0.00 0.40 -4.55 120.51 121.72 1j03 n ALA 90 Ca -0.01 -2.02 0.00 0.00 0.00 0.00 0.00 53.44 51.41 1j03 n ALA 90 Cb 0.63 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.03 0.00 -2.71 0.00 5.02 -1.01 -4.95 118.16 114.48 1j03 n LYS 91 Ca 0.35 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.23 1j03 n LYS 91 Cb 1.26 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 36.23 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 -1.26 3.77 0.39 2.13 2.02 0.65 -5.03 117.35 120.02 1j03 s TYR 92 Ca 0.00 1.77 -0.24 0.00 -0.37 0.00 0.00 57.07 58.22 1j03 s TYR 92 Cb 0.00 -3.08 -0.09 0.00 -0.40 0.00 0.00 41.96 38.39 1j03 s TYR 92 CO 0.00 0.12 1.06 -1.25 -1.57 0.00 0.00 175.55 173.91 1j03 s PRO 93 N 0.20 4.19 -0.47 -1.71 0.04 -1.23 -4.26 135.00 131.78 1j03 s PRO 93 Ca 0.48 1.55 -0.21 0.00 0.04 0.00 0.00 61.00 62.86 1j03 s PRO 93 Cb -0.23 -2.60 0.03 0.00 0.04 0.00 0.00 34.50 31.75 1j03 s PRO 93 CO 0.30 -0.12 0.67 0.08 0.04 0.00 0.00 177.00 177.96 1j03 s VAL 94 N -1.61 4.80 -1.82 -0.36 1.01 -1.26 0.29 120.40 121.45 1j03 s VAL 94 Ca 0.57 -0.02 0.29 0.00 0.00 0.00 0.00 61.98 62.81 1j03 s VAL 94 Cb -0.23 -4.26 0.51 0.00 0.00 0.00 0.00 36.38 32.40 1j03 s VAL 94 CO 0.29 -0.70 1.87 1.33 0.00 0.00 0.00 175.10 177.89 1j03 n VAL 95 N 5.83 0.00 -1.66 2.92 0.24 -1.17 -4.98 118.33 119.51 1j03 n VAL 95 Ca -0.02 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 1j03 n VAL 95 Cb 0.47 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 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 1.23 -1.41 3.22 7.63 0.00 -1.24 -4.08 105.19 110.55 1j03 n GLY 96 Ca 0.16 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 1j03 n GLY 96 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1j03 s ARG 97 N -1.89 2.25 0.15 1.61 1.04 -1.26 -0.40 118.95 120.44 1j03 s ARG 97 Ca 0.00 -0.80 -0.33 0.00 -1.04 0.00 0.00 55.73 53.55 1j03 s ARG 97 Cb 0.00 -1.94 -0.13 0.00 -2.04 0.00 0.00 34.95 30.84 1j03 s ARG 97 CO 0.00 0.35 1.66 0.28 -0.04 0.00 0.00 175.30 177.55 1j03 n VAL 98 N 2.98 0.09 -0.06 4.99 0.31 0.54 -3.01 118.33 124.17 1j03 n VAL 98 Ca -0.17 -0.02 -0.11 0.00 -0.01 0.00 0.00 64.34 64.03 1j03 n VAL 98 Cb 0.52 -1.73 -0.04 0.00 -0.91 0.00 0.00 33.84 31.69 1j03 n VAL 98 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1j03 n VAL 99 N 3.82 1.14 -0.30 2.52 0.24 -1.14 -4.73 118.33 119.88 1j03 n VAL 99 Ca 0.17 0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.49 1j03 n VAL 99 Cb 0.31 -1.88 0.00 0.00 -1.47 0.00 0.00 33.84 30.80 1j03 n VAL 99 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45