#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 0.46 0.11 1.61 -0.04 -1.26 -4.93 135.00 130.95 1j03 n PRO 0 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1j03 n PRO 0 Cb 0.00 0.00 0.30 0.00 -0.04 0.00 0.00 33.50 33.76 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 0.21 -4.63 0.54 2.86 -1.94 -3.48 114.93 108.48 1j03 h MET 1 Ca 0.00 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1j03 h MET 1 Cb 0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1j03 h MET 1 CO 0.00 0.50 -0.77 0.39 1.06 0.00 0.00 176.91 178.09 1j03 n GLU 2 N -4.12 -3.78 -4.34 1.72 1.02 -1.26 -4.97 120.64 104.90 1j03 n GLU 2 Ca -0.01 2.76 -0.34 0.00 -0.02 0.00 0.00 57.16 59.55 1j03 n GLU 2 Cb 0.39 -3.62 -0.12 0.00 -0.02 0.00 0.00 31.44 28.07 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 -0.44 3.03 0.60 -0.32 0.40 -1.05 -4.83 117.98 115.38 1j03 s PHE 3 Ca -0.03 -0.31 -0.13 0.00 -0.60 0.00 0.00 56.93 55.86 1j03 s PHE 3 Cb 0.00 -1.98 -0.04 0.00 0.51 0.00 0.00 43.02 41.51 1j03 s PHE 3 CO 0.07 -0.06 1.03 0.95 0.70 0.00 0.00 175.22 177.91 1j03 s THR 4 N 0.45 4.36 0.54 0.64 -4.23 -1.26 -1.82 115.64 114.33 1j03 s THR 4 Ca -0.03 0.93 0.28 0.00 -1.18 0.00 0.00 61.69 61.69 1j03 s THR 4 Cb -0.14 -3.65 0.43 0.00 1.34 0.00 0.00 72.50 70.48 1j03 s THR 4 CO 0.03 -0.85 1.95 0.00 -0.54 0.00 0.00 174.62 175.21 1j03 h ALA 5 N 0.09 2.57 -0.08 3.99 0.00 -1.93 1.59 119.26 125.50 1j03 h ALA 5 Ca -0.45 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1j03 h ALA 5 Cb 1.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1j03 h ALA 5 CO 0.60 -0.81 -0.18 0.93 0.00 0.00 0.00 179.25 179.79 1j03 h GLU 6 N 0.00 0.25 -0.13 0.00 3.07 -1.97 -1.11 114.58 114.70 1j03 h GLU 6 Ca 0.30 -0.17 -0.21 0.00 -0.50 0.00 0.00 59.36 58.79 1j03 h GLU 6 Cb 1.27 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 1j03 h GLU 6 CO -0.00 0.77 -0.76 1.96 -1.40 0.00 0.00 179.01 179.58 1j03 h GLN 7 N -0.23 0.64 0.00 2.33 1.08 -1.18 -2.96 115.11 114.79 1j03 h GLN 7 Ca -0.00 -0.52 -0.05 0.00 -1.45 0.00 0.00 58.65 56.63 1j03 h GLN 7 Cb 0.78 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.31 1j03 h GLN 7 CO 0.04 1.14 -0.23 1.25 -0.95 0.00 0.00 178.83 180.08 1j03 h LEU 8 N 0.44 0.00 0.00 1.46 5.85 0.21 0.24 115.31 123.51 1j03 h LEU 8 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1j03 h LEU 8 Cb 1.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1j03 h LEU 8 CO 0.15 0.23 0.00 -0.24 -0.34 0.00 0.00 178.44 178.24 1j03 n SER 9 N -4.07 0.00 -1.06 1.25 2.88 -0.42 -2.32 113.62 109.88 1j03 n SER 9 Ca -0.02 -1.10 0.12 0.00 -1.33 0.00 0.00 58.87 56.54 1j03 n SER 9 Cb 0.30 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 63.92 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 -0.88 2.43 -3.00 -1.46 6.02 0.07 -4.43 117.38 116.12 1j03 n GLN 10 Ca 0.16 -2.11 -0.22 0.00 -0.01 0.00 0.00 57.00 54.82 1j03 n GLN 10 Cb 0.07 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 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 2.15 -0.24 1.08 4.01 -0.98 -4.77 117.16 119.84 1j03 n TYR 11 Ca 0.17 -3.78 0.05 0.00 -0.16 0.00 0.00 57.90 54.17 1j03 n TYR 11 Cb 0.61 -0.43 0.12 0.00 -0.31 0.00 0.00 39.34 39.33 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 -0.02 2.76 -0.68 7.72 6.94 -1.26 -1.12 115.26 129.59 1j03 n ASN 12 Ca 0.27 -2.13 0.00 0.00 -0.02 0.00 0.00 54.58 52.70 1j03 n ASN 12 Cb 0.55 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.76 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 0.67 0.00 4.83 0.00 -1.26 -4.42 105.19 105.10 1j03 n GLY 13 Ca 0.10 -0.49 0.05 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.42 0.00 -3.30 2.61 5.66 -1.26 -4.01 114.28 112.57 1j03 n THR 14 Ca 0.00 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 1j03 n THR 14 Cb 0.43 0.38 0.00 0.00 -1.55 0.00 0.00 70.33 69.59 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 -1.75 1.07 0.00 1.09 9.92 -1.26 -5.11 116.55 120.51 1j03 n ASP 15 Ca -0.01 -0.76 0.00 0.00 -0.53 0.00 0.00 54.79 53.48 1j03 n ASP 15 Cb 0.23 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.71 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 -0.36 0.00 -0.03 -1.24 1.02 -1.26 -4.74 120.64 114.03 1j03 n GLU 16 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.03 1j03 n GLU 16 Cb 0.00 -0.41 -0.07 0.00 -0.02 0.00 0.00 31.44 30.95 1j03 n GLU 16 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1j03 h SER 17 N 0.00 0.17 -0.98 1.62 0.02 -2.01 -3.44 113.55 108.93 1j03 h SER 17 Ca 0.00 -0.27 -0.84 0.00 -0.84 0.00 0.00 61.79 59.84 1j03 h SER 17 Cb 0.00 -0.05 0.02 0.00 0.14 0.00 0.00 62.40 62.51 1j03 h SER 17 CO 0.00 0.40 0.54 0.29 -1.14 0.00 0.00 176.83 176.92 1j03 n LYS 18 N -4.84 0.00 0.00 3.45 4.01 -1.26 -4.91 118.16 114.61 1j03 n LYS 18 Ca -0.06 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.74 1j03 n LYS 18 Cb 0.18 -1.47 0.00 0.00 -0.51 0.00 0.00 35.03 33.23 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 3.38 -0.35 -4.20 1.97 -0.04 -1.26 -4.72 135.00 129.78 1j03 n PRO 19 Ca 0.28 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.43 1j03 n PRO 19 Cb -0.03 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.27 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 -0.90 1.83 -0.06 0.52 1.09 -1.26 -4.23 121.20 118.19 1j03 s ILE 20 Ca 0.00 -0.81 0.03 0.00 -1.10 0.00 0.00 60.65 58.78 1j03 s ILE 20 Cb 0.00 -1.67 0.00 0.00 -1.06 0.00 0.00 42.46 39.73 1j03 s ILE 20 CO 0.00 0.50 -0.16 -0.31 -0.10 0.00 0.00 174.94 174.87 1j03 s TYR 21 N 1.26 1.73 0.12 3.97 2.02 -0.28 -2.98 117.35 123.20 1j03 s TYR 21 Ca 0.02 -0.60 0.06 0.00 -0.37 0.00 0.00 57.07 56.18 1j03 s TYR 21 Cb -0.13 -1.21 -0.04 0.00 -0.40 0.00 0.00 41.96 40.18 1j03 s TYR 21 CO -0.09 -0.26 -0.01 0.08 -1.57 0.00 0.00 175.55 173.69 1j03 s VAL 22 N 0.38 3.83 -0.09 0.71 1.01 0.17 -3.16 120.40 123.25 1j03 s VAL 22 Ca -0.11 -1.17 0.01 0.00 0.00 0.00 0.00 61.98 60.71 1j03 s VAL 22 Cb -0.15 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 1j03 s VAL 22 CO 0.04 0.04 -0.11 0.00 0.00 0.00 0.00 175.10 175.08 1j03 s ALA 23 N -1.43 2.78 -0.19 5.51 0.00 -1.20 0.20 121.76 127.45 1j03 s ALA 23 Ca 0.26 -0.91 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 1j03 s ALA 23 Cb -0.11 -1.17 0.09 0.00 0.00 0.00 0.00 23.12 21.93 1j03 s ALA 23 CO 0.18 0.45 0.21 0.42 0.00 0.00 0.00 175.76 177.02 1j03 s ILE 24 N -0.37 -0.31 -0.92 0.00 1.01 0.16 -3.04 121.20 117.74 1j03 s ILE 24 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.64 1j03 s ILE 24 Cb -0.12 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 41.72 1j03 s ILE 24 CO 0.02 -0.16 0.00 0.29 0.00 0.00 0.00 174.94 175.10 1j03 n LYS 25 N 5.32 -1.36 -0.10 2.79 5.02 -1.26 -0.71 118.16 127.87 1j03 n LYS 25 Ca -0.05 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1j03 n LYS 25 Cb 0.50 -4.95 0.00 0.00 -0.02 0.00 0.00 35.03 30.56 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 -0.42 0.95 3.40 0.72 0.00 -1.26 -4.78 105.19 103.79 1j03 n GLY 26 Ca -0.09 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.47 3.46 -0.19 1.61 3.52 0.11 0.21 118.95 127.20 1j03 s ARG 27 Ca 0.00 -0.64 -0.23 0.00 -0.13 0.00 0.00 55.73 54.74 1j03 s ARG 27 Cb 0.00 -2.73 -0.02 0.00 -1.56 0.00 0.00 34.95 30.64 1j03 s ARG 27 CO 0.00 0.19 0.71 0.08 -0.81 0.00 0.00 175.30 175.47 1j03 s VAL 28 N 0.44 4.96 0.13 7.11 1.01 -0.04 0.39 120.40 134.40 1j03 s VAL 28 Ca -0.08 1.37 0.11 0.00 0.00 0.00 0.00 61.98 63.37 1j03 s VAL 28 Cb -0.15 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1j03 s VAL 28 CO 0.04 0.07 -0.25 -0.36 0.00 0.00 0.00 175.10 174.60 1j03 s PHE 29 N 2.07 2.36 -0.20 5.22 0.08 0.55 -3.46 117.98 124.60 1j03 s PHE 29 Ca 0.32 -0.35 -0.13 0.00 0.12 0.00 0.00 56.93 56.90 1j03 s PHE 29 Cb -0.16 -1.26 -0.05 0.00 -0.57 0.00 0.00 43.02 40.98 1j03 s PHE 29 CO 0.11 0.36 0.25 0.34 -0.10 0.00 0.00 175.22 176.18 1j03 s ASP 30 N -2.13 6.30 0.00 1.36 -1.08 0.14 0.43 116.67 121.68 1j03 s ASP 30 Ca 0.15 0.34 0.00 0.00 -0.52 0.00 0.00 52.55 52.52 1j03 s ASP 30 Cb -0.10 -2.16 0.00 0.00 -1.46 0.00 0.00 42.92 39.20 1j03 s ASP 30 CO 0.07 0.06 0.59 1.33 0.52 0.00 0.00 175.17 177.74 1j03 n VAL 31 N 3.99 0.33 0.11 1.11 0.24 -1.16 -3.57 118.33 119.39 1j03 n VAL 31 Ca -0.13 -0.39 0.20 0.00 -2.04 0.00 0.00 64.34 61.98 1j03 n VAL 31 Cb 0.52 0.99 0.70 0.00 -1.47 0.00 0.00 33.84 34.58 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 1.32 0.24 0.00 3.34 1.03 -1.91 0.30 112.91 117.23 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 0.63 0.55 0.00 0.00 -1.07 0.00 0.00 68.15 68.26 1j03 h THR 32 CO 0.00 0.00 0.09 0.35 -0.01 0.00 0.00 175.52 175.95 1j03 n THR 33 N -3.45 1.35 -2.69 0.00 -2.24 -1.26 -1.80 114.28 104.18 1j03 n THR 33 Ca 0.07 0.43 -0.07 0.00 -2.27 0.00 0.00 64.05 62.21 1j03 n THR 33 Cb 0.69 -1.43 0.10 0.00 -2.10 0.00 0.00 70.33 67.59 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 -1.32 1.46 0.40 3.38 0.00 0.10 -4.94 105.19 104.27 1j03 n GLY 34 Ca 0.00 -0.39 0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 2.12 0.00 0.00 1.61 2.10 -1.38 0.95 116.57 121.96 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 0.04 0.00 0.12 0.77 -2.00 0.00 0.00 179.45 178.38 1j03 h SER 36 N 0.00 0.00 0.00 7.07 0.02 -1.90 4.88 113.55 123.62 1j03 h SER 36 Ca 0.20 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.92 1j03 h SER 36 Cb 1.40 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.90 1j03 h SER 36 CO -0.00 0.00 -1.85 0.49 -1.14 0.00 0.00 176.83 174.32 1j03 n PHE 37 N -2.68 0.00 -0.07 3.45 3.72 0.32 -3.68 117.46 118.53 1j03 n PHE 37 Ca -0.02 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.20 1j03 n PHE 37 Cb 0.17 -0.57 -0.13 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 -3.16 0.53 0.00 1.38 4.01 -0.94 0.31 117.16 119.29 1j03 n TYR 38 Ca -0.28 0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1j03 n TYR 38 Cb 0.76 -1.07 0.00 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 2.07 -2.26 0.00 2.72 0.00 1.59 -4.39 105.19 104.92 1j03 n GLY 39 Ca -0.38 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 0.00 -3.37 1.61 7.64 -1.14 -4.42 113.62 113.94 1j03 n SER 40 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 1j03 n SER 40 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.00 1.59 0.00 0.23 0.00 -1.26 -4.61 105.19 101.14 1j03 n GLY 41 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 4.50 1.23 0.07 -0.02 0.00 -1.21 -4.94 105.19 104.81 1j03 n GLY 42 Ca 0.36 -1.18 -0.04 0.00 0.00 0.00 0.00 46.02 45.16 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 0.47 -2.40 1.61 2.03 0.90 -4.44 116.55 114.71 1j03 n ASP 43 Ca 0.00 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.00 1j03 n ASP 43 Cb 0.00 1.20 0.04 0.00 -0.72 0.00 0.00 41.12 41.64 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 -2.55 3.09 0.08 -0.67 4.01 0.49 -4.69 117.16 116.91 1j03 n TYR 44 Ca -0.23 -2.67 0.01 0.00 -0.16 0.00 0.00 57.90 54.85 1j03 n TYR 44 Cb 0.95 -0.76 0.35 0.00 -0.31 0.00 0.00 39.34 39.56 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 2.40 0.32 1.09 7.72 0.87 -1.76 0.41 113.55 124.60 1j03 h SER 45 Ca 0.46 -0.07 -0.18 0.00 -1.23 0.00 0.00 61.79 60.77 1j03 h SER 45 Cb 0.87 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.72 1j03 h SER 45 CO 1.15 0.46 -0.94 0.00 -0.53 0.00 0.00 176.83 176.97 1j03 h MET 46 N 0.32 0.00 0.08 2.24 -0.00 -1.91 -3.29 114.93 112.36 1j03 h MET 46 Ca 0.06 0.00 -0.26 0.00 -0.00 0.00 0.00 59.70 59.51 1j03 h MET 46 Cb 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.98 1j03 h MET 46 CO 0.02 0.72 -1.19 0.74 -0.00 0.00 0.00 176.91 177.19 1j03 h PHE 47 N 0.00 0.32 -2.09 -0.10 0.04 -1.70 -3.42 116.94 109.99 1j03 h PHE 47 Ca -0.05 -0.23 -0.63 0.00 2.80 0.00 0.00 57.97 59.86 1j03 h PHE 47 Cb 1.65 -0.01 0.07 0.00 2.20 0.00 0.00 35.95 39.86 1j03 h PHE 47 CO 0.00 1.19 0.44 0.00 -0.60 0.00 0.00 178.31 179.34 1j03 n ALA 48 N -2.48 -0.17 -3.64 2.45 0.00 0.14 -0.15 120.51 116.67 1j03 n ALA 48 Ca -0.06 0.46 -0.27 0.00 0.00 0.00 0.00 53.44 53.56 1j03 n ALA 48 Cb 1.00 -2.13 -0.01 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 2.29 -0.48 3.49 0.00 0.00 -1.19 -4.74 105.19 104.56 1j03 n GLY 49 Ca 0.15 0.11 -0.16 0.00 0.00 0.00 0.00 46.02 46.12 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 -6.31 1.12 -0.76 1.61 1.02 0.79 -4.17 119.74 113.05 1j03 s LYS 50 Ca 0.52 0.01 -0.20 0.00 0.02 0.00 0.00 55.97 56.31 1j03 s LYS 50 Cb -0.27 0.53 0.10 0.00 -0.52 0.00 0.00 37.83 37.67 1j03 s LYS 50 CO 0.63 -0.40 0.97 0.34 -0.92 0.00 0.00 175.35 175.97 1j03 s ASP 51 N -1.72 6.37 -1.33 2.83 -1.08 -1.26 -3.22 116.67 117.26 1j03 s ASP 51 Ca -0.07 -1.53 -0.07 0.00 -0.52 0.00 0.00 52.55 50.36 1j03 s ASP 51 Cb -0.00 -2.38 0.12 0.00 -1.46 0.00 0.00 42.92 39.19 1j03 s ASP 51 CO 0.02 -1.21 2.28 0.00 0.52 0.00 0.00 175.17 176.78 1j03 n ALA 52 N 6.89 6.45 0.06 3.66 0.00 -1.17 -0.30 120.51 136.10 1j03 n ALA 52 Ca 0.06 -4.11 -0.09 0.00 0.00 0.00 0.00 53.44 49.30 1j03 n ALA 52 Cb 0.46 -2.87 -0.06 0.00 0.00 0.00 0.00 19.45 16.98 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 4.95 -0.20 -0.24 0.00 4.64 -1.79 -1.47 113.55 119.44 1j03 h SER 53 Ca 0.63 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.68 1j03 h SER 53 Cb 0.39 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1j03 h SER 53 CO 1.54 0.35 0.12 0.03 -0.87 0.00 0.00 176.83 178.01 1j03 h ARG 54 N -0.96 0.34 -0.71 4.77 3.08 -1.82 0.46 114.38 119.54 1j03 h ARG 54 Ca -0.02 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.02 1j03 h ARG 54 Cb 0.45 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 1j03 h ARG 54 CO 0.04 0.33 0.47 0.00 -1.07 0.00 0.00 179.97 179.74 1j03 h ALA 55 N 0.99 1.63 -0.13 0.04 0.00 -1.76 0.24 119.26 120.27 1j03 h ALA 55 Ca 0.08 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1j03 h ALA 55 Cb 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1j03 h ALA 55 CO -0.01 0.28 -0.34 -0.07 0.00 0.00 0.00 179.25 179.11 1j03 h LEU 56 N 0.82 0.53 0.00 0.00 3.38 -0.60 0.73 115.31 120.16 1j03 h LEU 56 Ca 0.29 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1j03 h LEU 56 Cb 0.12 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1j03 h LEU 56 CO -0.09 1.02 0.00 0.61 0.09 0.00 0.00 178.44 180.07 1j03 n GLY 57 N 0.50 -2.90 0.30 0.83 0.00 0.16 -2.76 105.19 101.32 1j03 n GLY 57 Ca -0.07 0.02 0.18 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.18 1.61 6.56 -1.16 -3.41 116.57 117.99 1j03 h LYS 58 Ca 0.00 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.47 1j03 h LYS 58 Cb 0.00 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 31.69 1j03 h LYS 58 CO 0.00 0.00 -0.20 -1.33 -2.06 0.00 0.00 179.45 175.86 1j03 n MET 59 N -2.81 -2.07 -1.97 3.15 2.81 0.36 -5.05 117.12 111.54 1j03 n MET 59 Ca -0.02 0.26 -0.07 0.00 -1.81 0.00 0.00 57.70 56.06 1j03 n MET 59 Cb 0.17 -3.65 0.01 0.00 -0.71 0.00 0.00 33.22 29.03 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 0.25 1.23 -0.71 7.83 2.88 0.23 -4.95 113.62 120.37 1j03 n SER 60 Ca -0.01 -1.49 0.05 0.00 -1.33 0.00 0.00 58.87 56.08 1j03 n SER 60 Cb 0.53 -0.04 0.08 0.00 -0.75 0.00 0.00 64.21 64.03 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 -0.99 0.62 -1.90 -1.46 2.85 -1.26 -4.48 118.16 111.54 1j03 n LYS 61 Ca 0.01 -2.13 -0.41 0.00 -1.05 0.00 0.00 58.31 54.73 1j03 n LYS 61 Cb 0.17 -0.82 -0.01 0.00 -0.65 0.00 0.00 35.03 33.72 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 -2.18 6.48 0.42 -5.58 -0.87 -1.26 -4.89 114.94 107.06 1j03 s ASN 62 Ca 0.25 2.92 0.23 0.00 -1.57 0.00 0.00 52.86 54.69 1j03 s ASN 62 Cb 0.25 -2.66 0.55 0.00 -0.02 0.00 0.00 41.25 39.38 1j03 s ASN 62 CO -0.06 -0.77 1.67 -0.33 -2.57 0.00 0.00 177.10 175.04 1j03 h GLU 63 N 3.41 0.00 0.00 -0.60 5.08 -1.97 -3.04 114.58 117.46 1j03 h GLU 63 Ca -0.50 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 1j03 h GLU 63 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1j03 h GLU 63 CO 0.67 0.16 -1.24 0.39 -1.00 0.00 0.00 179.01 177.99 1j03 n GLU 64 N -3.18 0.62 -0.06 2.33 4.71 -1.26 -4.10 120.64 119.69 1j03 n GLU 64 Ca 0.02 0.08 -0.10 0.00 -0.01 0.00 0.00 57.16 57.15 1j03 n GLU 64 Cb 0.52 -1.77 -0.04 0.00 -1.01 0.00 0.00 31.44 29.15 1j03 n GLU 64 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1j03 h ASP 65 N 0.00 0.29 -0.82 1.62 3.32 -1.91 -3.42 116.42 115.50 1j03 h ASP 65 Ca -0.03 -0.11 -0.74 0.00 0.02 0.00 0.00 57.03 56.17 1j03 h ASP 65 Cb 1.09 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 1j03 h ASP 65 CO 0.01 0.32 1.21 0.52 -1.72 0.00 0.00 179.24 179.58 1j03 n VAL 66 N -4.85 0.14 -3.90 -1.35 0.31 -1.23 -3.77 118.33 103.67 1j03 n VAL 66 Ca -0.03 -0.10 -0.29 0.00 -0.01 0.00 0.00 64.34 63.90 1j03 n VAL 66 Cb 0.09 -1.07 -0.16 0.00 -0.91 0.00 0.00 33.84 31.79 1j03 n VAL 66 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1j03 s SER 67 N 5.66 3.35 0.00 4.52 0.15 0.59 -4.91 113.70 123.07 1j03 s SER 67 Ca 1.10 -0.94 0.05 0.00 0.70 0.00 0.00 55.95 56.87 1j03 s SER 67 Cb -1.18 -1.02 0.31 0.00 -1.71 0.00 0.00 66.02 62.42 1j03 s SER 67 CO 0.61 -0.22 0.98 -0.81 1.20 0.00 0.00 173.24 175.00 1j03 n PRO 68 N 4.79 0.75 -3.66 5.44 -0.04 -1.26 -4.27 135.00 136.76 1j03 n PRO 68 Ca -0.12 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.15 1j03 n PRO 68 Cb 0.46 -1.11 -0.17 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.41 1.08 0.25 3.54 1.04 -1.26 -4.55 113.70 112.39 1j03 s SER 69 Ca 0.08 0.12 -0.02 0.00 0.48 0.00 0.00 55.95 56.61 1j03 s SER 69 Cb 0.04 0.02 0.54 0.00 0.10 0.00 0.00 66.02 66.72 1j03 s SER 69 CO 0.06 -0.26 1.33 0.18 0.98 0.00 0.00 173.24 175.53 1j03 n LEU 70 N 5.31 -0.19 -3.53 2.42 4.77 -1.26 -4.25 117.00 120.27 1j03 n LEU 70 Ca -0.04 1.45 -0.24 0.00 -0.03 0.00 0.00 56.01 57.15 1j03 n LEU 70 Cb 0.50 -0.49 -0.15 0.00 -2.33 0.00 0.00 43.42 40.95 1j03 n LEU 70 CO 0.06 -1.44 1.69 -0.62 -1.33 0.00 0.00 177.39 175.75 1j03 n GLU 71 N -5.29 0.00 0.00 3.23 1.02 -1.26 0.22 120.64 118.56 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 0.56 -0.97 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 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 4.68 2.33 3.62 0.62 0.00 -1.26 -5.05 105.19 110.13 1j03 n GLY 72 Ca 0.53 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1j03 n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j03 s LEU 73 N 0.00 3.76 0.00 0.99 2.01 0.59 -4.96 118.68 121.07 1j03 s LEU 73 Ca 0.00 1.94 -0.09 0.00 0.01 0.00 0.00 54.13 55.99 1j03 s LEU 73 Cb 0.00 -3.52 0.14 0.00 0.01 0.00 0.00 46.19 42.82 1j03 s LEU 73 CO 0.00 -1.59 0.85 0.35 1.01 0.00 0.00 176.35 176.97 1j03 n THR 74 N 6.95 0.00 -0.15 5.49 -2.24 -1.26 -4.73 114.28 118.35 1j03 n THR 74 Ca 0.25 -0.76 -0.12 0.00 -2.27 0.00 0.00 64.05 61.15 1j03 n THR 74 Cb 0.44 -1.52 -0.01 0.00 -2.10 0.00 0.00 70.33 67.14 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 0.94 -0.37 -0.78 5.08 -1.96 1.19 114.58 118.68 1j03 h GLU 75 Ca -0.28 -0.41 0.07 0.00 -1.00 0.00 0.00 59.36 57.74 1j03 h GLU 75 Cb 0.81 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.97 1j03 h GLU 75 CO 0.21 1.08 -0.01 1.57 -1.00 0.00 0.00 179.01 180.86 1j03 h LYS 76 N 0.78 0.08 0.15 2.33 2.10 -1.99 0.82 116.57 120.84 1j03 h LYS 76 Ca 0.10 -0.01 -0.27 0.00 -2.00 0.00 0.00 60.65 58.48 1j03 h LYS 76 Cb 0.80 -0.02 0.03 0.00 -0.90 0.00 0.00 32.23 32.13 1j03 h LYS 76 CO 0.07 0.06 -1.13 1.05 -2.00 0.00 0.00 179.45 177.49 1j03 h GLU 77 N 0.09 0.51 -0.53 0.07 4.11 -1.81 -3.25 114.58 113.76 1j03 h GLU 77 Ca 0.18 -0.74 0.09 0.00 0.07 0.00 0.00 59.36 58.96 1j03 h GLU 77 Cb 0.26 0.26 -0.07 0.00 0.50 0.00 0.00 28.75 29.70 1j03 h GLU 77 CO -0.32 1.34 0.14 0.82 0.07 0.00 0.00 179.01 181.06 1j03 h ILE 78 N 0.04 0.73 -0.43 -1.06 1.08 0.19 7.50 117.51 125.56 1j03 h ILE 78 Ca -0.18 -0.10 0.09 0.00 -0.39 0.00 0.00 64.86 64.28 1j03 h ILE 78 Cb 1.85 0.42 -0.09 0.00 -3.07 0.00 0.00 36.82 35.93 1j03 h ILE 78 CO 0.22 0.05 -0.15 0.78 -0.69 0.00 0.00 178.15 178.36 1j03 h ASN 79 N 0.29 -0.53 0.07 1.72 2.35 0.58 2.99 115.58 123.03 1j03 h ASN 79 Ca 0.27 0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 56.05 1j03 h ASN 79 Cb 0.35 0.32 0.01 0.00 0.05 0.00 0.00 38.32 39.05 1j03 h ASN 79 CO -0.32 -0.19 -0.54 0.74 -1.65 0.00 0.00 177.43 175.47 1j03 h THR 80 N -0.06 1.56 0.76 2.81 2.02 -1.20 -2.90 112.91 115.90 1j03 h THR 80 Ca 0.21 -2.42 -0.03 0.00 0.77 0.00 0.00 66.41 64.94 1j03 h THR 80 Cb 0.38 3.18 -0.01 0.00 -1.74 0.00 0.00 68.15 69.96 1j03 h THR 80 CO -0.48 0.64 -0.48 0.25 0.37 0.00 0.00 175.52 175.82 1j03 h LEU 81 N -0.69 -1.23 -0.99 2.58 7.12 1.61 2.19 115.31 125.90 1j03 h LEU 81 Ca -0.11 0.07 0.23 0.00 0.13 0.00 0.00 57.88 58.20 1j03 h LEU 81 Cb 1.34 0.36 -0.12 0.00 -0.53 0.00 0.00 40.66 41.72 1j03 h LEU 81 CO 0.05 -0.74 0.58 -1.13 -0.13 0.00 0.00 178.44 177.07 1j03 h ASN 82 N -1.17 0.67 0.62 1.25 -0.73 0.53 0.99 115.58 117.73 1j03 h ASN 82 Ca -0.10 0.13 -0.17 0.00 1.87 0.00 0.00 56.30 58.03 1j03 h ASN 82 Cb 0.94 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 39.54 1j03 h ASN 82 CO 0.09 0.14 -0.76 0.44 -0.37 0.00 0.00 177.43 176.97 1j03 h ASP 83 N 0.61 0.13 -0.91 1.15 3.32 -1.15 -3.00 116.42 116.57 1j03 h ASP 83 Ca 0.62 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.60 1j03 h ASP 83 Cb 1.12 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.58 1j03 h ASP 83 CO -0.46 0.84 0.59 -0.50 -1.72 0.00 0.00 179.24 178.00 1j03 h TRP 84 N 0.07 1.12 -0.39 4.55 -0.00 1.14 0.21 115.95 122.65 1j03 h TRP 84 Ca -0.02 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.90 1j03 h TRP 84 Cb 1.34 -0.37 -0.02 0.00 -0.00 0.00 0.00 29.16 30.10 1j03 h TRP 84 CO 0.01 0.67 0.25 1.49 -0.00 0.00 0.00 178.44 180.86 1j03 h GLU 85 N 1.18 0.52 -0.34 0.49 4.22 -0.81 1.04 114.58 120.87 1j03 h GLU 85 Ca 0.35 -0.04 -0.07 0.00 0.08 0.00 0.00 59.36 59.69 1j03 h GLU 85 Cb -0.05 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1j03 h GLU 85 CO -0.10 0.36 -0.07 1.15 -2.18 0.00 0.00 179.01 178.17 1j03 h THR 86 N 0.52 1.22 -0.09 0.32 2.02 -1.25 1.62 112.91 117.27 1j03 h THR 86 Ca 0.14 -0.95 -0.19 0.00 0.77 0.00 0.00 66.41 66.19 1j03 h THR 86 Cb -0.04 1.04 0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1j03 h THR 86 CO -0.03 0.32 -0.67 0.11 0.37 0.00 0.00 175.52 175.62 1j03 h LYS 87 N 0.52 0.61 -0.12 6.66 1.57 0.08 0.02 116.57 125.91 1j03 h LYS 87 Ca 0.10 -0.54 -0.17 0.00 -1.87 0.00 0.00 60.65 58.18 1j03 h LYS 87 Cb 0.44 0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.88 1j03 h LYS 87 CO 0.02 1.16 -0.57 0.74 -0.57 0.00 0.00 179.45 180.23 1j03 h PHE 88 N 0.24 0.81 0.00 -1.35 -1.00 0.14 -2.28 116.94 113.51 1j03 h PHE 88 Ca -0.06 -0.36 -0.00 0.00 2.81 0.00 0.00 57.97 60.37 1j03 h PHE 88 Cb 1.32 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 40.75 1j03 h PHE 88 CO 0.11 1.15 -0.01 1.05 -1.61 0.00 0.00 178.31 179.00 1j03 h GLU 89 N 0.25 0.00 0.00 1.51 -0.00 0.23 2.53 114.58 119.10 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 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 1j03 h GLU 89 CO 0.12 0.01 -0.45 0.00 -0.00 0.00 0.00 179.01 178.68 1j03 n ALA 90 N -2.09 3.25 0.01 1.06 0.00 -0.01 -4.58 120.51 118.15 1j03 n ALA 90 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1j03 n ALA 90 Cb 0.35 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.62 0.00 -2.13 0.00 4.76 -0.73 -5.04 118.16 113.40 1j03 n LYS 91 Ca 0.05 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.08 1j03 n LYS 91 Cb 0.36 -0.05 -0.02 0.00 -1.84 0.00 0.00 35.03 33.48 1j03 n LYS 91 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1j03 s TYR 92 N -1.11 3.10 0.21 2.13 2.02 0.84 -4.98 117.35 119.57 1j03 s TYR 92 Ca 0.00 1.35 -0.30 0.00 -0.37 0.00 0.00 57.07 57.75 1j03 s TYR 92 Cb 0.00 -3.67 -0.08 0.00 -0.40 0.00 0.00 41.96 37.81 1j03 s TYR 92 CO 0.00 -1.91 1.11 -1.25 -1.57 0.00 0.00 175.55 171.92 1j03 s PRO 93 N -1.34 4.60 -0.49 -1.71 0.04 -1.23 -4.19 135.00 130.68 1j03 s PRO 93 Ca 0.51 1.75 -0.21 0.00 0.04 0.00 0.00 61.00 63.10 1j03 s PRO 93 Cb -0.39 -3.25 0.04 0.00 0.04 0.00 0.00 34.50 30.94 1j03 s PRO 93 CO 0.49 0.10 0.70 0.08 0.04 0.00 0.00 177.00 178.41 1j03 s VAL 94 N -0.48 4.75 -0.93 -0.36 1.01 -1.26 0.23 120.40 123.36 1j03 s VAL 94 Ca 0.48 -0.09 0.27 0.00 0.00 0.00 0.00 61.98 62.65 1j03 s VAL 94 Cb -0.30 -4.32 0.17 0.00 0.00 0.00 0.00 36.38 31.93 1j03 s VAL 94 CO 0.37 -0.79 1.72 1.33 0.00 0.00 0.00 175.10 177.72 1j03 n VAL 95 N 5.84 0.12 -2.75 2.92 0.24 -1.22 -4.99 118.33 118.48 1j03 n VAL 95 Ca -0.03 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1j03 n VAL 95 Cb 0.47 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 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 1.46 -1.77 3.31 7.63 0.00 -1.25 -3.87 105.19 110.70 1j03 n GLY 96 Ca 0.06 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.82 1.96 0.15 1.61 1.04 -1.26 -0.86 118.95 119.76 1j03 s ARG 97 Ca 0.00 -0.96 -0.32 0.00 -1.04 0.00 0.00 55.73 53.41 1j03 s ARG 97 Cb 0.00 -1.96 -0.12 0.00 -2.04 0.00 0.00 34.95 30.83 1j03 s ARG 97 CO 0.00 0.53 1.73 0.28 -0.04 0.00 0.00 175.30 177.80 1j03 n VAL 98 N 2.26 0.15 0.00 4.99 0.31 0.57 -2.53 118.33 124.08 1j03 n VAL 98 Ca -0.16 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1j03 n VAL 98 Cb 0.51 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 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 4.12 0.00 -0.78 2.52 0.24 -0.76 -4.74 118.33 118.94 1j03 n VAL 99 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.47 1j03 n VAL 99 Cb 0.34 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 1j03 n VAL 99 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45