#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j03 n PRO 0 N 0.00 0.86 0.07 1.61 -0.04 -1.26 -4.96 135.00 131.28 1j03 n PRO 0 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1j03 n PRO 0 Cb 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.50 1j03 n PRO 0 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1j03 h MET 1 N 0.00 0.31 -4.81 0.54 1.85 -1.94 -3.48 114.93 107.40 1j03 h MET 1 Ca 0.00 -0.27 0.00 0.00 -0.61 0.00 0.00 59.70 58.82 1j03 h MET 1 Cb 0.00 0.06 -0.04 0.00 0.43 0.00 0.00 31.60 32.05 1j03 h MET 1 CO 0.00 0.93 -1.14 0.39 -0.40 0.00 0.00 176.91 176.69 1j03 n GLU 2 N -3.79 -4.98 -4.27 0.39 1.02 -1.26 -4.91 120.64 102.83 1j03 n GLU 2 Ca -0.04 3.64 -0.34 0.00 -0.02 0.00 0.00 57.16 60.40 1j03 n GLU 2 Cb 0.72 -4.76 -0.13 0.00 -0.02 0.00 0.00 31.44 27.25 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 -0.61 3.01 0.70 -0.32 0.40 -1.06 -4.85 117.98 115.26 1j03 s PHE 3 Ca -0.08 -0.42 -0.11 0.00 -0.60 0.00 0.00 56.93 55.72 1j03 s PHE 3 Cb 0.01 -2.01 0.01 0.00 0.51 0.00 0.00 43.02 41.54 1j03 s PHE 3 CO 0.22 -0.15 1.08 0.95 0.70 0.00 0.00 175.22 178.02 1j03 s THR 4 N 0.66 3.70 0.51 0.64 -4.23 -1.26 -3.29 115.64 112.38 1j03 s THR 4 Ca -0.02 0.55 0.25 0.00 -1.18 0.00 0.00 61.69 61.29 1j03 s THR 4 Cb -0.14 -3.50 0.41 0.00 1.34 0.00 0.00 72.50 70.61 1j03 s THR 4 CO 0.02 -0.72 1.96 0.00 -0.54 0.00 0.00 174.62 175.34 1j03 h ALA 5 N -0.65 2.51 -0.10 3.99 0.00 -1.92 1.40 119.26 124.49 1j03 h ALA 5 Ca -0.45 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1j03 h ALA 5 Cb 1.24 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1j03 h ALA 5 CO 0.62 -0.70 -0.15 1.49 0.00 0.00 0.00 179.25 180.52 1j03 h GLU 6 N 0.08 0.27 -0.07 0.00 4.81 -1.96 0.37 114.58 118.07 1j03 h GLU 6 Ca 0.32 -0.16 -0.16 0.00 -0.13 0.00 0.00 59.36 59.22 1j03 h GLU 6 Cb 1.15 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1j03 h GLU 6 CO -0.03 0.73 -0.65 1.96 -0.73 0.00 0.00 179.01 180.30 1j03 h GLN 7 N -0.17 0.29 0.00 1.92 4.20 -1.26 -2.80 115.11 117.29 1j03 h GLN 7 Ca 0.01 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.43 1j03 h GLN 7 Cb 0.71 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 1j03 h GLN 7 CO 0.03 0.84 -0.32 1.25 -0.67 0.00 0.00 178.83 179.96 1j03 h LEU 8 N 0.21 0.00 -0.02 1.46 5.85 0.18 -2.74 115.31 120.25 1j03 h LEU 8 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1j03 h LEU 8 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1j03 h LEU 8 CO 0.10 0.32 -0.01 -0.24 -0.34 0.00 0.00 178.44 178.28 1j03 n SER 9 N -3.25 0.04 -0.93 1.25 2.88 0.13 -2.88 113.62 110.86 1j03 n SER 9 Ca 0.02 -0.44 0.02 0.00 -1.33 0.00 0.00 58.87 57.14 1j03 n SER 9 Cb 0.60 -0.18 0.22 0.00 -0.75 0.00 0.00 64.21 64.09 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 -1.17 2.18 -2.75 -1.46 10.64 -1.03 -4.61 117.38 119.18 1j03 n GLN 10 Ca 0.17 -3.00 -0.10 0.00 -1.83 0.00 0.00 57.00 52.24 1j03 n GLN 10 Cb 0.20 -1.79 0.03 0.00 -0.86 0.00 0.00 30.24 27.82 1j03 n GLN 10 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1j03 n TYR 11 N -0.93 0.61 -0.65 2.61 4.01 -1.14 -4.75 117.16 116.92 1j03 n TYR 11 Ca 0.27 -2.87 0.08 0.00 -0.16 0.00 0.00 57.90 55.21 1j03 n TYR 11 Cb 0.93 -0.18 0.24 0.00 -0.31 0.00 0.00 39.34 40.02 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 -0.04 3.70 -2.13 7.72 6.94 -1.26 0.71 115.26 130.90 1j03 n ASN 12 Ca 0.11 -2.58 -0.03 0.00 -0.02 0.00 0.00 54.58 52.06 1j03 n ASN 12 Cb 0.79 -0.44 -0.02 0.00 -2.36 0.00 0.00 39.78 37.75 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 0.09 -4.56 0.00 4.83 0.00 -1.26 -4.29 105.19 100.00 1j03 n GLY 13 Ca 0.19 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.98 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 1.13 0.00 0.00 2.61 5.66 -1.26 -2.45 114.28 119.96 1j03 n THR 14 Ca -0.21 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 1j03 n THR 14 Cb 0.33 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.11 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 -1.10 0.00 1.09 2.03 -1.26 -4.95 116.55 112.36 1j03 n ASP 15 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1j03 n ASP 15 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1j03 n ASP 15 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1j03 n GLU 16 N -1.10 0.00 -0.18 -0.67 1.02 -1.26 -4.40 120.64 114.05 1j03 n GLU 16 Ca 0.00 0.04 0.09 0.00 -0.02 0.00 0.00 57.16 57.27 1j03 n GLU 16 Cb 0.00 -0.62 0.15 0.00 -0.02 0.00 0.00 31.44 30.94 1j03 n GLU 16 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1j03 n SER 17 N -0.16 2.17 -4.65 1.62 7.64 -1.26 -5.06 113.62 113.92 1j03 n SER 17 Ca 0.00 -3.17 -0.46 0.00 1.01 0.00 0.00 58.87 56.24 1j03 n SER 17 Cb 0.00 -0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 62.73 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 -1.33 1.84 -2.03 1.43 4.01 -1.26 -4.93 118.16 115.89 1j03 n LYS 18 Ca 0.16 0.66 -0.32 0.00 -0.51 0.00 0.00 58.31 58.29 1j03 n LYS 18 Cb 0.65 -2.31 0.01 0.00 -0.51 0.00 0.00 35.03 32.87 1j03 n LYS 18 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1j03 s PRO 19 N -0.05 3.34 -0.30 1.97 0.04 -1.26 -4.53 135.00 134.21 1j03 s PRO 19 Ca 0.73 1.15 -0.17 0.00 0.04 0.00 0.00 61.00 62.74 1j03 s PRO 19 Cb -0.71 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 31.77 1j03 s PRO 19 CO 0.47 -0.79 0.48 0.42 0.04 0.00 0.00 177.00 177.63 1j03 s ILE 20 N -2.54 5.07 -0.07 0.56 1.09 -1.26 -4.17 121.20 119.88 1j03 s ILE 20 Ca 0.62 0.57 0.02 0.00 -1.10 0.00 0.00 60.65 60.76 1j03 s ILE 20 Cb -0.15 -3.86 0.02 0.00 -1.06 0.00 0.00 42.46 37.41 1j03 s ILE 20 CO 0.38 -0.03 -0.11 -0.31 -0.10 0.00 0.00 174.94 174.78 1j03 s TYR 21 N 2.29 1.40 0.54 3.97 2.02 0.22 -3.63 117.35 124.15 1j03 s TYR 21 Ca 0.19 -0.54 0.07 0.00 -0.37 0.00 0.00 57.07 56.42 1j03 s TYR 21 Cb -0.16 -1.05 0.05 0.00 -0.40 0.00 0.00 41.96 40.39 1j03 s TYR 21 CO 0.11 -0.30 0.50 0.08 -1.57 0.00 0.00 175.55 174.37 1j03 s VAL 22 N 0.83 1.89 -0.01 0.71 1.01 -0.46 -2.72 120.40 121.65 1j03 s VAL 22 Ca -0.12 -1.35 0.01 0.00 0.00 0.00 0.00 61.98 60.52 1j03 s VAL 22 Cb -0.15 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.01 1j03 s VAL 22 CO 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 175.10 175.10 1j03 s ALA 23 N -2.71 0.25 -0.22 5.51 0.00 -1.21 -1.35 121.76 122.02 1j03 s ALA 23 Ca 0.43 0.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.38 1j03 s ALA 23 Cb -0.03 -0.17 0.11 0.00 0.00 0.00 0.00 23.12 23.02 1j03 s ALA 23 CO 0.27 -0.00 0.28 0.42 0.00 0.00 0.00 175.76 176.72 1j03 s ILE 24 N 0.44 -0.42 -0.34 0.00 1.01 0.56 -3.20 121.20 119.25 1j03 s ILE 24 Ca -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.49 1j03 s ILE 24 Cb -0.07 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.66 1j03 s ILE 24 CO -0.01 -0.19 0.00 0.29 0.00 0.00 0.00 174.94 175.03 1j03 n LYS 25 N 5.33 -0.68 -0.20 2.79 4.76 -1.26 -1.83 118.16 127.07 1j03 n LYS 25 Ca -0.05 0.43 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 1j03 n LYS 25 Cb 0.50 -4.10 0.00 0.00 -1.84 0.00 0.00 35.03 29.58 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 -1.69 0.86 3.53 0.72 0.00 -1.26 -4.95 105.19 102.39 1j03 n GLY 26 Ca -0.03 0.00 -0.34 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 -0.80 3.75 -0.21 1.61 3.52 -0.76 0.15 118.95 126.21 1j03 s ARG 27 Ca 0.00 -0.47 -0.25 0.00 -0.13 0.00 0.00 55.73 54.88 1j03 s ARG 27 Cb 0.00 -3.04 -0.01 0.00 -1.56 0.00 0.00 34.95 30.34 1j03 s ARG 27 CO 0.00 0.20 0.84 0.08 -0.81 0.00 0.00 175.30 175.61 1j03 s VAL 28 N 0.51 4.85 0.28 7.11 1.01 -0.36 -0.32 120.40 133.48 1j03 s VAL 28 Ca -0.01 1.62 0.10 0.00 0.00 0.00 0.00 61.98 63.69 1j03 s VAL 28 Cb -0.14 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1j03 s VAL 28 CO 0.02 -0.03 -0.04 -0.36 0.00 0.00 0.00 175.10 174.69 1j03 s PHE 29 N 2.52 2.58 -0.20 5.22 0.08 -0.46 -3.10 117.98 124.63 1j03 s PHE 29 Ca 0.37 -0.29 -0.08 0.00 0.12 0.00 0.00 56.93 57.06 1j03 s PHE 29 Cb -0.16 -1.22 -0.04 0.00 -0.57 0.00 0.00 43.02 41.03 1j03 s PHE 29 CO 0.10 0.61 0.07 0.34 -0.10 0.00 0.00 175.22 176.24 1j03 s ASP 30 N -3.65 5.57 0.00 1.36 -1.08 0.33 -1.35 116.67 117.84 1j03 s ASP 30 Ca 0.32 0.02 0.00 0.00 -0.52 0.00 0.00 52.55 52.37 1j03 s ASP 30 Cb -0.05 -1.97 0.00 0.00 -1.46 0.00 0.00 42.92 39.44 1j03 s ASP 30 CO 0.19 0.12 0.54 1.33 0.52 0.00 0.00 175.17 177.87 1j03 n VAL 31 N 3.91 0.29 0.16 1.11 0.24 -1.24 -3.52 118.33 119.28 1j03 n VAL 31 Ca -0.16 -0.45 0.19 0.00 -2.04 0.00 0.00 64.34 61.87 1j03 n VAL 31 Cb 0.52 1.06 0.72 0.00 -1.47 0.00 0.00 33.84 34.67 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 0.75 0.22 0.00 3.34 1.03 -1.92 0.22 112.91 116.55 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 0.43 0.59 0.00 0.00 -1.07 0.00 0.00 68.15 68.10 1j03 h THR 32 CO 0.00 0.00 0.13 1.07 -0.01 0.00 0.00 175.52 176.71 1j03 n THR 33 N -3.39 1.47 -2.70 0.00 5.66 -1.26 -1.58 114.28 112.48 1j03 n THR 33 Ca 0.05 0.50 -0.06 0.00 -3.05 0.00 0.00 64.05 61.49 1j03 n THR 33 Cb 0.62 -1.50 0.09 0.00 -1.55 0.00 0.00 70.33 67.98 1j03 n THR 33 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j03 n GLY 34 N -1.37 1.52 0.40 1.09 0.00 0.77 -4.93 105.19 102.67 1j03 n GLY 34 Ca -0.00 -0.55 0.20 0.00 0.00 0.00 0.00 46.02 45.67 1j03 n GLY 34 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1j03 h LYS 35 N 2.21 0.00 0.00 1.61 2.10 -1.34 1.06 116.57 122.21 1j03 h LYS 35 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1j03 h LYS 35 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1j03 h LYS 35 CO 0.10 0.00 0.10 1.03 -2.00 0.00 0.00 179.45 178.68 1j03 h SER 36 N 0.00 0.00 0.00 7.07 0.87 -1.86 4.05 113.55 123.68 1j03 h SER 36 Ca 0.20 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.53 1j03 h SER 36 Cb 1.44 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.36 1j03 h SER 36 CO -0.00 0.00 -1.83 0.49 -0.53 0.00 0.00 176.83 174.96 1j03 n PHE 37 N -2.82 0.00 0.00 2.24 3.72 0.36 -4.36 117.46 116.61 1j03 n PHE 37 Ca -0.02 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.18 1j03 n PHE 37 Cb 0.15 -0.55 -0.14 0.00 -0.94 0.00 0.00 39.48 38.01 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 -3.29 1.21 -1.67 1.38 4.01 -0.99 0.22 117.16 118.03 1j03 n TYR 38 Ca -0.27 0.28 -0.30 0.00 -0.16 0.00 0.00 57.90 57.45 1j03 n TYR 38 Cb 0.74 -1.17 0.08 0.00 -0.31 0.00 0.00 39.34 38.69 1j03 n TYR 38 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1j03 s GLY 39 N -5.52 1.62 -1.42 2.72 0.00 1.33 -3.93 107.32 102.12 1j03 s GLY 39 Ca -0.20 -0.31 -0.02 0.00 0.00 0.00 0.00 44.72 44.20 1j03 s GLY 39 CO 0.78 0.12 0.03 -1.26 0.00 0.00 0.00 173.10 172.77 1j03 n SER 40 N -3.34 0.68 -2.57 1.64 2.88 -1.03 -2.67 113.62 109.21 1j03 n SER 40 Ca 0.07 -1.19 0.00 0.00 -1.33 0.00 0.00 58.87 56.42 1j03 n SER 40 Cb 0.57 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 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 -2.46 0.00 0.00 0.46 0.00 -1.25 -4.99 105.19 96.95 1j03 n GLY 41 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1j03 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j03 n GLY 42 N 1.20 5.36 0.31 -0.02 0.00 -0.76 -4.76 105.19 106.52 1j03 n GLY 42 Ca 0.00 -1.37 0.18 0.00 0.00 0.00 0.00 46.02 44.83 1j03 n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1j03 n ASP 43 N 0.00 -0.00 -2.77 1.61 2.03 0.58 0.60 116.55 118.60 1j03 n ASP 43 Ca 0.00 1.55 -0.30 0.00 0.52 0.00 0.00 54.79 56.56 1j03 n ASP 43 Cb 0.00 -0.61 -0.00 0.00 -0.72 0.00 0.00 41.12 39.79 1j03 n ASP 43 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1j03 n TYR 44 N -5.29 3.47 0.11 -0.67 4.01 0.34 -4.76 117.16 114.38 1j03 n TYR 44 Ca 0.25 -3.19 -0.02 0.00 -0.16 0.00 0.00 57.90 54.78 1j03 n TYR 44 Cb 0.82 -0.45 0.22 0.00 -0.31 0.00 0.00 39.34 39.62 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 2.89 0.21 1.01 7.72 4.64 0.07 0.30 113.55 130.39 1j03 h SER 45 Ca 0.32 -0.09 -0.20 0.00 -0.47 0.00 0.00 61.79 61.34 1j03 h SER 45 Cb 0.62 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.62 1j03 h SER 45 CO 0.96 0.63 -1.02 0.00 -0.87 0.00 0.00 176.83 176.53 1j03 h MET 46 N 0.16 0.00 0.15 4.77 -0.00 -1.86 -3.31 114.93 114.85 1j03 h MET 46 Ca 0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 59.70 59.41 1j03 h MET 46 Cb 0.85 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.46 1j03 h MET 46 CO 0.07 0.82 -1.38 0.74 -0.00 0.00 0.00 176.91 177.15 1j03 h PHE 47 N 0.00 0.58 -1.11 -0.10 0.04 -1.79 -3.42 116.94 111.14 1j03 h PHE 47 Ca -0.05 -0.42 -0.83 0.00 2.80 0.00 0.00 57.97 59.47 1j03 h PHE 47 Cb 1.73 -0.02 0.01 0.00 2.20 0.00 0.00 35.95 39.86 1j03 h PHE 47 CO 0.00 1.37 0.81 0.00 -0.60 0.00 0.00 178.31 179.89 1j03 n ALA 48 N -2.61 -0.86 -3.31 2.45 0.00 0.10 0.20 120.51 116.48 1j03 n ALA 48 Ca -0.13 0.44 -0.24 0.00 0.00 0.00 0.00 53.44 53.52 1j03 n ALA 48 Cb 1.05 -2.03 0.05 0.00 0.00 0.00 0.00 19.45 18.51 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 4.32 -0.53 3.43 0.00 0.00 -1.10 -4.57 105.19 106.74 1j03 n GLY 49 Ca 0.31 0.19 -0.16 0.00 0.00 0.00 0.00 46.02 46.36 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 -6.01 0.89 -1.03 1.61 1.02 0.54 -4.16 119.74 112.60 1j03 s LYS 50 Ca 0.44 0.19 -0.19 0.00 0.02 0.00 0.00 55.97 56.43 1j03 s LYS 50 Cb -0.20 0.41 0.11 0.00 -0.52 0.00 0.00 37.83 37.64 1j03 s LYS 50 CO 0.54 -0.25 1.32 0.34 -0.92 0.00 0.00 175.35 176.38 1j03 s ASP 51 N -1.04 6.68 -0.65 2.83 -1.08 -1.26 -3.31 116.67 118.83 1j03 s ASP 51 Ca -0.10 -2.05 -0.07 0.00 -0.52 0.00 0.00 52.55 49.80 1j03 s ASP 51 Cb -0.02 -2.46 -0.17 0.00 -1.46 0.00 0.00 42.92 38.81 1j03 s ASP 51 CO 0.07 -1.15 3.29 0.00 0.52 0.00 0.00 175.17 177.89 1j03 n ALA 52 N 7.25 6.82 -0.02 3.66 0.00 -1.19 0.14 120.51 137.17 1j03 n ALA 52 Ca 0.31 -2.60 -0.16 0.00 0.00 0.00 0.00 53.44 50.99 1j03 n ALA 52 Cb 0.48 -2.70 -0.12 0.00 0.00 0.00 0.00 19.45 17.12 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 3.76 0.21 -0.34 0.00 4.64 -1.75 -2.20 113.55 117.87 1j03 h SER 53 Ca 0.47 -0.85 -0.06 0.00 -0.47 0.00 0.00 61.79 60.88 1j03 h SER 53 Cb 0.98 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 1j03 h SER 53 CO 0.87 1.04 -0.01 0.03 -0.87 0.00 0.00 176.83 177.89 1j03 h ARG 54 N -0.60 0.60 -0.75 4.77 3.08 -1.76 -1.42 114.38 118.30 1j03 h ARG 54 Ca -0.04 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 59.84 1j03 h ARG 54 Cb 1.10 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.05 1j03 h ARG 54 CO 0.05 0.73 0.48 0.00 -1.07 0.00 0.00 179.97 180.16 1j03 h ALA 55 N 0.85 0.97 -0.25 0.04 0.00 -1.72 -0.31 119.26 118.84 1j03 h ALA 55 Ca 0.09 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1j03 h ALA 55 Cb 0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1j03 h ALA 55 CO 0.02 0.31 0.15 -0.07 0.00 0.00 0.00 179.25 179.66 1j03 h LEU 56 N 0.96 0.26 0.00 0.00 4.07 -1.18 2.05 115.31 121.48 1j03 h LEU 56 Ca 0.29 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.25 1j03 h LEU 56 Cb -0.04 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.64 1j03 h LEU 56 CO -0.09 0.19 0.00 0.61 -1.08 0.00 0.00 178.44 178.07 1j03 n GLY 57 N -1.16 -2.77 0.34 0.83 0.00 -0.55 -2.79 105.19 99.08 1j03 n GLY 57 Ca -0.02 0.04 0.17 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.07 1.61 1.57 -1.15 -3.41 116.57 111.12 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 0.10 0.00 0.08 0.00 0.00 32.23 32.41 1j03 h LYS 58 CO 0.00 0.00 -0.44 -1.33 -0.57 0.00 0.00 179.45 177.11 1j03 n MET 59 N -3.93 -4.09 -0.00 3.15 2.81 0.69 -4.94 117.12 110.81 1j03 n MET 59 Ca 0.03 0.50 0.06 0.00 -1.81 0.00 0.00 57.70 56.47 1j03 n MET 59 Cb 0.36 -4.48 -0.08 0.00 -0.71 0.00 0.00 33.22 28.30 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 -1.98 1.42 -1.37 7.83 2.88 -0.58 -4.96 113.62 116.85 1j03 n SER 60 Ca -0.13 -0.37 -0.13 0.00 -1.33 0.00 0.00 58.87 56.91 1j03 n SER 60 Cb 0.58 1.30 -0.06 0.00 -0.75 0.00 0.00 64.21 65.28 1j03 n SER 60 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1j03 n LYS 61 N -1.62 -1.30 -2.14 -1.46 2.85 -1.24 -4.87 118.16 108.39 1j03 n LYS 61 Ca -0.00 0.78 -0.41 0.00 -1.05 0.00 0.00 58.31 57.63 1j03 n LYS 61 Cb 0.26 -5.03 -0.02 0.00 -0.65 0.00 0.00 35.03 29.59 1j03 n LYS 61 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1j03 s ASN 62 N -2.12 6.80 0.55 -5.58 -0.87 -1.26 -4.83 114.94 107.63 1j03 s ASN 62 Ca 0.00 2.66 0.33 0.00 -1.57 0.00 0.00 52.86 54.28 1j03 s ASN 62 Cb 0.00 -2.65 1.46 0.00 -0.02 0.00 0.00 41.25 40.04 1j03 s ASN 62 CO 0.00 -0.51 2.02 -0.08 -2.57 0.00 0.00 177.10 175.96 1j03 h GLU 63 N 3.41 0.00 0.00 -0.60 4.81 -1.90 -1.90 114.58 118.39 1j03 h GLU 63 Ca -0.49 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.70 1j03 h GLU 63 Cb 1.23 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1j03 h GLU 63 CO 0.65 0.04 -1.10 0.93 -0.73 0.00 0.00 179.01 178.81 1j03 h GLU 64 N 0.00 0.00 -0.07 1.92 4.39 -1.96 -3.35 114.58 115.51 1j03 h GLU 64 Ca -0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1j03 h GLU 64 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1j03 h GLU 64 CO 0.01 0.08 -0.27 -0.44 -1.16 0.00 0.00 179.01 177.23 1j03 h ASP 65 N 0.00 0.35 -1.79 1.42 5.19 -1.73 -3.43 116.42 116.42 1j03 h ASP 65 Ca -0.04 -0.64 -0.67 0.00 -0.62 0.00 0.00 57.03 55.06 1j03 h ASP 65 Cb 1.16 -0.10 0.01 0.00 0.18 0.00 0.00 39.33 40.58 1j03 h ASP 65 CO 0.01 0.93 1.05 0.55 -3.12 0.00 0.00 179.24 178.66 1j03 n VAL 66 N -4.48 0.46 -4.07 -1.35 3.14 -0.96 -4.12 118.33 106.95 1j03 n VAL 66 Ca -0.08 -0.10 -0.16 0.00 -2.96 0.00 0.00 64.34 61.04 1j03 n VAL 66 Cb 0.47 -1.62 -0.15 0.00 -1.06 0.00 0.00 33.84 31.48 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 4.12 0.55 0.00 6.55 0.15 0.38 -4.80 113.70 120.64 1j03 s SER 67 Ca 0.96 -0.07 0.04 0.00 0.70 0.00 0.00 55.95 57.58 1j03 s SER 67 Cb -0.85 -0.17 0.25 0.00 -1.71 0.00 0.00 66.02 63.54 1j03 s SER 67 CO 0.57 -0.01 0.93 -0.81 1.20 0.00 0.00 173.24 175.12 1j03 n PRO 68 N 3.50 0.75 -3.77 5.44 -0.04 -1.26 -4.27 135.00 135.34 1j03 n PRO 68 Ca -0.19 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.08 1j03 n PRO 68 Cb 0.55 -1.09 -0.17 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.38 0.92 0.07 3.54 1.04 -1.26 -4.69 113.70 111.94 1j03 s SER 69 Ca 0.06 0.01 -0.07 0.00 0.48 0.00 0.00 55.95 56.43 1j03 s SER 69 Cb 0.03 -0.22 0.06 0.00 0.10 0.00 0.00 66.02 65.99 1j03 s SER 69 CO 0.05 -0.18 0.51 0.18 0.98 0.00 0.00 173.24 174.78 1j03 n LEU 70 N 4.82 -0.25 0.00 2.42 4.77 -1.26 -4.79 117.00 122.71 1j03 n LEU 70 Ca -0.13 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1j03 n LEU 70 Cb 0.50 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1j03 n LEU 70 CO 0.13 -0.51 0.00 1.21 -1.33 0.00 0.00 177.39 176.89 1j03 n GLU 71 N -4.47 0.00 -1.00 3.23 0.00 -1.26 -3.61 120.64 113.53 1j03 n GLU 71 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.06 1j03 n GLU 71 Cb 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.46 1j03 n GLU 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1j03 n GLY 72 N 0.00 3.24 3.63 8.31 0.00 -1.26 -4.91 105.19 114.19 1j03 n GLY 72 Ca 0.00 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 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 1.87 3.64 0.00 0.99 7.99 -1.24 -4.95 117.00 125.30 1j03 n LEU 73 Ca 0.36 0.54 -0.14 0.00 -0.01 0.00 0.00 56.01 56.76 1j03 n LEU 73 Cb 0.75 -1.53 0.10 0.00 -0.11 0.00 0.00 43.42 42.64 1j03 n LEU 73 CO 0.16 -0.27 0.34 1.07 -1.51 0.00 0.00 177.39 177.17 1j03 n THR 74 N 6.67 0.00 -0.11 -5.08 5.66 -1.26 -4.58 114.28 115.58 1j03 n THR 74 Ca 0.26 -0.33 -0.12 0.00 -3.05 0.00 0.00 64.05 60.81 1j03 n THR 74 Cb 0.42 -1.44 -0.03 0.00 -1.55 0.00 0.00 70.33 67.73 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 0.66 -0.56 1.09 5.08 -1.95 1.54 114.58 120.44 1j03 h GLU 75 Ca -0.19 -0.26 0.11 0.00 -1.00 0.00 0.00 59.36 58.01 1j03 h GLU 75 Cb 0.56 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.69 1j03 h GLU 75 CO 0.13 0.84 0.04 1.57 -1.00 0.00 0.00 179.01 180.59 1j03 h LYS 76 N 0.44 0.15 0.18 2.33 2.10 -1.96 0.56 116.57 120.37 1j03 h LYS 76 Ca 0.08 -0.01 -0.24 0.00 -2.00 0.00 0.00 60.65 58.49 1j03 h LYS 76 Cb 0.61 -0.03 0.03 0.00 -0.90 0.00 0.00 32.23 31.93 1j03 h LYS 76 CO 0.04 0.10 -1.05 1.05 -2.00 0.00 0.00 179.45 177.59 1j03 h GLU 77 N 0.16 0.37 -0.73 0.07 4.11 -1.76 -1.08 114.58 115.72 1j03 h GLU 77 Ca 0.29 -0.64 0.21 0.00 0.07 0.00 0.00 59.36 59.29 1j03 h GLU 77 Cb 0.44 0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1j03 h GLU 77 CO -0.44 1.31 0.54 0.82 0.07 0.00 0.00 179.01 181.31 1j03 h ILE 78 N -0.21 0.59 0.08 -1.06 1.08 0.28 8.78 117.51 127.06 1j03 h ILE 78 Ca -0.19 0.00 -0.30 0.00 -0.39 0.00 0.00 64.86 63.99 1j03 h ILE 78 Cb 1.81 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 36.16 1j03 h ILE 78 CO 0.19 0.00 -1.60 0.78 -0.69 0.00 0.00 178.15 176.83 1j03 h ASN 79 N 0.00 0.27 0.00 1.72 2.35 0.08 -3.04 115.58 116.96 1j03 h ASN 79 Ca 0.35 -0.78 -0.04 0.00 -0.55 0.00 0.00 56.30 55.27 1j03 h ASN 79 Cb 1.43 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.72 1j03 h ASN 79 CO -0.00 1.68 -0.16 0.74 -1.65 0.00 0.00 177.43 178.03 1j03 h THR 80 N -0.38 1.60 0.76 2.81 2.02 0.34 -2.22 112.91 117.84 1j03 h THR 80 Ca -0.37 -1.96 -0.03 0.00 0.77 0.00 0.00 66.41 64.82 1j03 h THR 80 Cb 1.72 2.88 -0.01 0.00 -1.74 0.00 0.00 68.15 71.00 1j03 h THR 80 CO -0.02 0.53 -0.49 0.25 0.37 0.00 0.00 175.52 176.16 1j03 h LEU 81 N -0.64 -1.25 -0.96 2.58 7.12 1.86 0.84 115.31 124.86 1j03 h LEU 81 Ca -0.02 0.07 0.20 0.00 0.13 0.00 0.00 57.88 58.26 1j03 h LEU 81 Cb 0.95 0.37 -0.11 0.00 -0.53 0.00 0.00 40.66 41.34 1j03 h LEU 81 CO 0.03 -0.74 0.55 0.78 -0.13 0.00 0.00 178.44 178.93 1j03 h ASN 82 N -1.18 0.66 -0.47 1.25 4.21 -1.45 0.59 115.58 119.19 1j03 h ASN 82 Ca -0.10 0.11 -0.10 0.00 1.21 0.00 0.00 56.30 57.42 1j03 h ASN 82 Cb 0.95 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.14 1j03 h ASN 82 CO 0.09 0.20 -0.07 -0.78 -1.29 0.00 0.00 177.43 175.59 1j03 h ASP 83 N 0.66 0.91 -0.83 5.81 3.58 -0.73 -2.07 116.42 123.75 1j03 h ASP 83 Ca 0.57 -0.27 0.02 0.00 0.42 0.00 0.00 57.03 57.77 1j03 h ASP 83 Cb 0.93 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.69 1j03 h ASP 83 CO -0.41 1.00 0.55 -0.50 -2.88 0.00 0.00 179.24 177.00 1j03 h TRP 84 N 0.84 1.01 -0.30 0.28 4.06 0.60 -0.75 115.95 121.69 1j03 h TRP 84 Ca 0.14 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 61.10 1j03 h TRP 84 Cb 0.59 -0.34 -0.01 0.00 -1.00 0.00 0.00 29.16 28.39 1j03 h TRP 84 CO 0.04 0.61 0.12 1.49 -3.56 0.00 0.00 178.44 177.14 1j03 h GLU 85 N 1.07 0.44 0.00 0.49 4.81 -0.31 0.60 114.58 121.68 1j03 h GLU 85 Ca 0.32 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1j03 h GLU 85 Cb -0.04 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1j03 h GLU 85 CO -0.08 0.45 -0.06 1.15 -0.73 0.00 0.00 179.01 179.74 1j03 h THR 86 N 0.33 0.54 0.14 0.32 2.02 -0.69 1.93 112.91 117.50 1j03 h THR 86 Ca 0.10 -0.26 -0.33 0.00 0.77 0.00 0.00 66.41 66.69 1j03 h THR 86 Cb 0.17 1.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1j03 h THR 86 CO -0.01 0.06 -1.70 0.11 0.37 0.00 0.00 175.52 174.35 1j03 h LYS 87 N 0.00 0.30 0.04 6.66 1.57 -0.35 -2.73 116.57 122.05 1j03 h LYS 87 Ca -0.00 -0.51 -0.10 0.00 -1.87 0.00 0.00 60.65 58.17 1j03 h LYS 87 Cb 0.16 0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.67 1j03 h LYS 87 CO 0.01 1.17 -0.42 0.74 -0.57 0.00 0.00 179.45 180.38 1j03 h PHE 88 N 0.08 0.35 0.00 -1.35 -1.00 0.11 -2.95 116.94 112.17 1j03 h PHE 88 Ca -0.31 -0.22 0.00 0.00 2.81 0.00 0.00 57.97 60.25 1j03 h PHE 88 Cb 2.05 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 41.59 1j03 h PHE 88 CO 0.08 1.09 0.00 1.05 -1.61 0.00 0.00 178.31 178.92 1j03 h GLU 89 N -0.49 0.00 -0.63 1.51 9.09 0.28 2.19 114.58 126.53 1j03 h GLU 89 Ca -0.06 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.13 1j03 h GLU 89 Cb 1.23 0.00 -0.13 0.00 -1.65 0.00 0.00 28.75 28.20 1j03 h GLU 89 CO 0.08 0.00 0.22 0.00 0.05 0.00 0.00 179.01 179.36 1j03 n ALA 90 N -2.04 4.43 0.00 1.06 0.00 -1.03 -4.48 120.51 118.44 1j03 n ALA 90 Ca 0.01 -2.58 0.00 0.00 0.00 0.00 0.00 53.44 50.87 1j03 n ALA 90 Cb 0.28 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.54 0.00 -3.65 0.00 5.02 -0.70 -4.93 118.16 113.36 1j03 n LYS 91 Ca 0.39 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.31 1j03 n LYS 91 Cb 1.29 -0.07 -0.06 0.00 -0.02 0.00 0.00 35.03 36.16 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 -1.65 3.59 0.27 2.13 2.02 0.73 -5.04 117.35 119.40 1j03 s TYR 92 Ca 0.00 0.69 -0.30 0.00 -0.37 0.00 0.00 57.07 57.09 1j03 s TYR 92 Cb 0.00 -2.18 -0.09 0.00 -0.40 0.00 0.00 41.96 39.29 1j03 s TYR 92 CO 0.00 0.54 1.08 -1.25 -1.57 0.00 0.00 175.55 174.35 1j03 s PRO 93 N -0.53 4.67 -0.46 -1.71 0.04 -1.23 -4.44 135.00 131.33 1j03 s PRO 93 Ca 0.18 1.77 -0.24 0.00 0.04 0.00 0.00 61.00 62.75 1j03 s PRO 93 Cb -0.14 -3.20 0.03 0.00 0.04 0.00 0.00 34.50 31.23 1j03 s PRO 93 CO 0.07 0.25 0.83 0.08 0.04 0.00 0.00 177.00 178.26 1j03 s VAL 94 N -1.14 4.59 -0.37 -0.36 1.01 -1.26 0.12 120.40 123.00 1j03 s VAL 94 Ca 0.44 0.45 0.23 0.00 0.00 0.00 0.00 61.98 63.11 1j03 s VAL 94 Cb -0.31 -4.37 0.06 0.00 0.00 0.00 0.00 36.38 31.76 1j03 s VAL 94 CO 0.40 -0.79 1.20 -0.37 0.00 0.00 0.00 175.10 175.54 1j03 h VAL 95 N 6.00 0.00 -1.92 2.92 -1.51 -1.86 -3.49 116.25 116.39 1j03 h VAL 95 Ca -0.25 -0.87 0.23 0.00 -1.23 0.00 0.00 66.70 64.57 1j03 h VAL 95 Cb 1.08 1.47 -0.04 0.00 -2.13 0.00 0.00 31.29 31.67 1j03 h VAL 95 CO 0.99 0.00 0.61 0.61 -1.23 0.00 0.00 177.57 178.54 1j03 n GLY 96 N 1.21 0.41 3.02 5.19 0.00 -1.23 -4.13 105.19 109.66 1j03 n GLY 96 Ca 0.01 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.01 1.92 0.65 1.61 6.06 -1.26 -1.22 118.95 124.69 1j03 s ARG 97 Ca 0.21 -0.46 -0.18 0.00 -2.50 0.00 0.00 55.73 52.80 1j03 s ARG 97 Cb -0.01 -1.66 -0.02 0.00 0.06 0.00 0.00 34.95 33.32 1j03 s ARG 97 CO 0.00 -0.05 1.16 0.28 -2.50 0.00 0.00 175.30 174.19 1j03 n VAL 98 N 4.15 4.36 0.00 7.11 0.31 0.40 -2.57 118.33 132.10 1j03 n VAL 98 Ca -0.19 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 1j03 n VAL 98 Cb 0.51 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 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 -1.96 0.00 -0.23 2.52 0.24 -1.21 -4.72 118.33 112.97 1j03 n VAL 99 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 1j03 n VAL 99 Cb 0.48 -0.42 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 1j03 n VAL 99 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45