#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 0.65 -0.21 1.61 -0.04 -1.26 -4.93 135.00 130.82 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 0.15 0.00 -0.04 0.00 0.00 33.50 33.61 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 1.00 -4.46 0.54 2.86 -1.96 -3.47 114.93 109.44 1j03 h MET 1 Ca 0.00 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1j03 h MET 1 Cb 0.00 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.49 1j03 h MET 1 CO 0.00 0.82 -0.88 0.39 1.06 0.00 0.00 176.91 178.30 1j03 n GLU 2 N -4.30 -4.93 -4.43 1.72 1.02 -1.26 -4.93 120.64 103.53 1j03 n GLU 2 Ca 0.06 3.51 -0.34 0.00 -0.02 0.00 0.00 57.16 60.37 1j03 n GLU 2 Cb 0.18 -4.10 -0.12 0.00 -0.02 0.00 0.00 31.44 27.38 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 -0.50 3.01 0.57 -0.32 0.40 -1.22 -4.86 117.98 115.06 1j03 s PHE 3 Ca 0.00 -0.29 -0.16 0.00 -0.60 0.00 0.00 56.93 55.88 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 -0.01 1.03 0.95 0.70 0.00 0.00 175.22 177.89 1j03 s THR 4 N 0.27 4.09 0.53 0.64 -4.23 -1.26 -2.68 115.64 113.00 1j03 s THR 4 Ca -0.03 0.98 0.27 0.00 -1.18 0.00 0.00 61.69 61.73 1j03 s THR 4 Cb -0.14 -3.51 0.43 0.00 1.34 0.00 0.00 72.50 70.61 1j03 s THR 4 CO 0.03 -0.59 1.96 0.00 -0.54 0.00 0.00 174.62 175.48 1j03 h ALA 5 N 0.58 2.62 -0.10 3.99 0.00 -1.90 1.60 119.26 126.06 1j03 h ALA 5 Ca -0.47 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 1j03 h ALA 5 Cb 1.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1j03 h ALA 5 CO 0.59 -0.81 -0.24 0.93 0.00 0.00 0.00 179.25 179.72 1j03 h GLU 6 N 0.00 0.33 -0.13 0.00 5.08 -1.91 -1.86 114.58 116.09 1j03 h GLU 6 Ca 0.31 -0.23 -0.17 0.00 -1.00 0.00 0.00 59.36 58.27 1j03 h GLU 6 Cb 1.25 0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.54 1j03 h GLU 6 CO -0.00 0.84 -0.58 1.96 -1.00 0.00 0.00 179.01 180.23 1j03 h GLN 7 N -0.12 0.63 -0.45 2.33 7.50 -1.17 -3.06 115.11 120.76 1j03 h GLN 7 Ca -0.00 -0.50 0.04 0.00 0.50 0.00 0.00 58.65 58.69 1j03 h GLN 7 Cb 0.85 0.10 -0.02 0.00 0.05 0.00 0.00 27.48 28.46 1j03 h GLN 7 CO 0.05 1.12 0.30 1.25 -1.50 0.00 0.00 178.83 180.05 1j03 h LEU 8 N 0.28 0.38 0.00 1.46 5.85 0.21 0.55 115.31 124.04 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 1.22 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1j03 h LEU 8 CO 0.12 0.26 0.00 -0.24 -0.34 0.00 0.00 178.44 178.24 1j03 n SER 9 N -4.48 0.00 -1.19 1.25 2.88 -0.70 -1.33 113.62 110.05 1j03 n SER 9 Ca 0.05 0.21 0.12 0.00 -1.33 0.00 0.00 58.87 57.92 1j03 n SER 9 Cb 0.20 -0.36 0.25 0.00 -0.75 0.00 0.00 64.21 63.55 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 -1.36 2.53 -2.94 -1.46 6.02 0.19 -4.40 117.38 115.97 1j03 n GLN 10 Ca 0.06 -2.34 -0.20 0.00 -0.01 0.00 0.00 57.00 54.51 1j03 n GLN 10 Cb 0.14 -1.52 -0.02 0.00 1.02 0.00 0.00 30.24 29.86 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 1.49 1.92 -0.34 1.08 4.01 -0.44 -4.79 117.16 120.08 1j03 n TYR 11 Ca 0.21 -3.61 0.08 0.00 -0.16 0.00 0.00 57.90 54.41 1j03 n TYR 11 Cb 0.60 -0.39 0.23 0.00 -0.31 0.00 0.00 39.34 39.46 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 -0.03 3.46 -1.99 7.72 6.94 -1.26 0.10 115.26 130.20 1j03 n ASN 12 Ca 0.26 -2.13 -0.01 0.00 -0.02 0.00 0.00 54.58 52.67 1j03 n ASN 12 Cb 0.61 -0.36 -0.01 0.00 -2.36 0.00 0.00 39.78 37.66 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 0.77 -3.72 0.00 4.83 0.00 -1.26 -4.12 105.19 101.69 1j03 n GLY 13 Ca 0.17 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 0.53 0.00 -0.34 2.61 5.66 -1.26 -3.95 114.28 117.53 1j03 n THR 14 Ca -0.10 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.83 1j03 n THR 14 Cb 0.15 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 69.00 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 -1.95 0.00 1.09 9.92 -1.26 -4.97 116.55 119.38 1j03 n ASP 15 Ca 0.00 -0.44 0.00 0.00 -0.53 0.00 0.00 54.79 53.82 1j03 n ASP 15 Cb 0.00 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 40.23 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 -2.68 0.00 0.00 -1.24 4.71 -1.26 -4.36 120.64 115.81 1j03 n GLU 16 Ca 0.04 0.00 0.06 0.00 -0.01 0.00 0.00 57.16 57.24 1j03 n GLU 16 Cb 0.15 -0.29 0.01 0.00 -1.01 0.00 0.00 31.44 30.30 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 0.00 1.42 -3.59 1.62 7.64 -1.26 -5.03 113.62 114.42 1j03 n SER 17 Ca 0.00 -1.21 -0.48 0.00 1.01 0.00 0.00 58.87 58.19 1j03 n SER 17 Cb 0.00 0.39 -0.07 0.00 -1.01 0.00 0.00 64.21 63.53 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 -0.08 0.00 -1.55 1.43 4.01 -1.26 -4.88 118.16 115.83 1j03 n LYS 18 Ca 0.05 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.55 1j03 n LYS 18 Cb 0.25 -1.18 0.10 0.00 -0.51 0.00 0.00 35.03 33.69 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 0.62 1.82 -0.25 1.97 0.04 -1.26 -4.55 135.00 133.40 1j03 s PRO 19 Ca 0.74 0.54 -0.10 0.00 0.04 0.00 0.00 61.00 62.22 1j03 s PRO 19 Cb -1.05 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 31.55 1j03 s PRO 19 CO 0.50 -1.78 0.16 0.42 0.04 0.00 0.00 177.00 176.34 1j03 s ILE 20 N -3.19 5.25 -0.07 0.56 1.09 -1.26 -4.19 121.20 119.39 1j03 s ILE 20 Ca 0.62 0.14 0.02 0.00 -1.10 0.00 0.00 60.65 60.33 1j03 s ILE 20 Cb -0.14 -3.46 0.01 0.00 -1.06 0.00 0.00 42.46 37.81 1j03 s ILE 20 CO 0.54 0.33 -0.12 -0.31 -0.10 0.00 0.00 174.94 175.28 1j03 s TYR 21 N 1.23 1.42 0.13 3.97 2.02 0.11 -3.28 117.35 122.96 1j03 s TYR 21 Ca 0.07 -0.53 0.06 0.00 -0.37 0.00 0.00 57.07 56.30 1j03 s TYR 21 Cb -0.14 -1.06 -0.04 0.00 -0.40 0.00 0.00 41.96 40.32 1j03 s TYR 21 CO 0.06 -0.29 0.00 0.08 -1.57 0.00 0.00 175.55 173.83 1j03 s VAL 22 N 0.74 3.89 -0.14 0.71 1.01 -0.11 -3.37 120.40 123.13 1j03 s VAL 22 Ca -0.13 -1.17 -0.03 0.00 0.00 0.00 0.00 61.98 60.65 1j03 s VAL 22 Cb -0.16 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 1j03 s VAL 22 CO 0.03 0.02 -0.04 0.00 0.00 0.00 0.00 175.10 175.10 1j03 s ALA 23 N -1.48 3.00 -0.18 5.51 0.00 -1.23 0.25 121.76 127.63 1j03 s ALA 23 Ca 0.26 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.36 1j03 s ALA 23 Cb -0.11 -1.49 0.06 0.00 0.00 0.00 0.00 23.12 21.58 1j03 s ALA 23 CO 0.18 0.29 0.05 0.42 0.00 0.00 0.00 175.76 176.70 1j03 s ILE 24 N 0.12 0.34 -0.97 0.00 1.01 0.24 -2.75 121.20 119.18 1j03 s ILE 24 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1j03 s ILE 24 Cb -0.14 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.46 1j03 s ILE 24 CO 0.03 -0.21 0.00 0.29 0.00 0.00 0.00 174.94 175.05 1j03 n LYS 25 N 5.12 -1.39 -0.02 2.79 5.02 -1.26 -0.70 118.16 127.72 1j03 n LYS 25 Ca -0.08 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1j03 n LYS 25 Cb 0.48 -5.00 0.00 0.00 -0.02 0.00 0.00 35.03 30.48 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 -0.35 0.99 3.29 0.72 0.00 -1.26 -4.85 105.19 103.73 1j03 n GLY 26 Ca -0.09 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.35 3.26 -0.22 1.61 3.52 0.13 0.22 118.95 127.12 1j03 s ARG 27 Ca 0.00 -0.72 -0.27 0.00 -0.13 0.00 0.00 55.73 54.60 1j03 s ARG 27 Cb 0.00 -2.67 0.00 0.00 -1.56 0.00 0.00 34.95 30.72 1j03 s ARG 27 CO 0.00 0.03 0.95 0.08 -0.81 0.00 0.00 175.30 175.55 1j03 s VAL 28 N 0.80 4.76 0.38 7.11 1.01 0.19 0.81 120.40 135.45 1j03 s VAL 28 Ca -0.05 1.85 0.08 0.00 0.00 0.00 0.00 61.98 63.86 1j03 s VAL 28 Cb -0.15 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 1j03 s VAL 28 CO 0.00 -0.11 0.16 -0.36 0.00 0.00 0.00 175.10 174.80 1j03 s PHE 29 N 2.87 2.64 -0.19 5.22 0.08 0.71 -2.56 117.98 126.75 1j03 s PHE 29 Ca 0.41 -0.50 -0.03 0.00 0.12 0.00 0.00 56.93 56.93 1j03 s PHE 29 Cb -0.16 -1.81 -0.01 0.00 -0.57 0.00 0.00 43.02 40.47 1j03 s PHE 29 CO 0.08 0.25 -0.05 0.34 -0.10 0.00 0.00 175.22 175.74 1j03 s ASP 30 N -3.88 4.37 0.00 1.36 -1.08 0.70 -0.93 116.67 117.21 1j03 s ASP 30 Ca 0.40 -0.32 0.00 0.00 -0.52 0.00 0.00 52.55 52.10 1j03 s ASP 30 Cb 0.01 -1.73 0.00 0.00 -1.46 0.00 0.00 42.92 39.74 1j03 s ASP 30 CO 0.23 0.05 0.61 1.33 0.52 0.00 0.00 175.17 177.91 1j03 n VAL 31 N 4.32 0.37 0.14 1.11 0.24 -1.20 -3.45 118.33 119.85 1j03 n VAL 31 Ca -0.18 -0.47 0.19 0.00 -2.04 0.00 0.00 64.34 61.84 1j03 n VAL 31 Cb 0.51 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 0.97 0.22 0.00 3.34 1.03 -1.92 0.26 112.91 116.81 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 0.53 0.55 0.00 0.00 -1.07 0.00 0.00 68.15 68.17 1j03 h THR 32 CO 0.00 0.00 0.14 1.07 -0.01 0.00 0.00 175.52 176.72 1j03 n THR 33 N -3.38 1.41 -2.69 0.00 5.66 -1.26 -1.68 114.28 112.34 1j03 n THR 33 Ca 0.06 0.52 -0.07 0.00 -3.05 0.00 0.00 64.05 61.51 1j03 n THR 33 Cb 0.67 -1.52 0.09 0.00 -1.55 0.00 0.00 70.33 68.02 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 -1.36 1.43 0.46 1.09 0.00 0.92 -4.94 105.19 102.79 1j03 n GLY 34 Ca -0.00 -0.55 0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 2.33 0.00 0.00 1.61 2.10 -1.38 1.39 116.57 122.63 1j03 h LYS 35 Ca -0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 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 0.13 0.00 0.02 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 3.97 113.55 122.71 1j03 h SER 36 Ca 0.37 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 61.09 1j03 h SER 36 Cb 1.75 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.25 1j03 h SER 36 CO -0.00 0.00 -1.84 0.49 -1.14 0.00 0.00 176.83 174.34 1j03 n PHE 37 N -2.30 0.00 -0.08 3.45 3.72 0.47 -2.17 117.46 120.56 1j03 n PHE 37 Ca -0.02 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.19 1j03 n PHE 37 Cb 0.06 -0.56 -0.13 0.00 -0.94 0.00 0.00 39.48 37.92 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 -3.17 0.52 0.00 1.38 4.01 -0.91 0.46 117.16 119.45 1j03 n TYR 38 Ca -0.27 0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1j03 n TYR 38 Cb 0.75 -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 2.12 -2.10 2.38 2.72 0.00 1.31 -4.05 105.19 107.56 1j03 n GLY 39 Ca -0.40 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 0.87 0.00 1.61 2.88 -0.88 -4.71 113.62 113.40 1j03 n SER 40 Ca 0.00 -2.77 0.00 0.00 -1.33 0.00 0.00 58.87 54.77 1j03 n SER 40 Cb 0.00 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 1j03 n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j03 n GLY 41 N 1.85 -0.05 0.00 0.46 0.00 -1.18 -4.89 105.19 101.38 1j03 n GLY 41 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 0.16 4.12 0.00 -0.02 0.00 -0.92 -4.92 105.19 103.61 1j03 n GLY 42 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1j03 n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j03 n ASP 43 N 0.00 0.00 -0.55 1.61 9.92 -0.76 -4.10 116.55 122.68 1j03 n ASP 43 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1j03 n ASP 43 Cb 0.00 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1j03 n ASP 43 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1j03 n TYR 44 N 0.00 0.00 -0.20 1.24 4.01 0.17 -4.89 117.16 117.49 1j03 n TYR 44 Ca 0.00 -0.03 0.30 0.00 -0.16 0.00 0.00 57.90 58.02 1j03 n TYR 44 Cb 0.00 0.06 0.72 0.00 -0.31 0.00 0.00 39.34 39.81 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 0.04 0.00 1.25 7.72 4.64 -1.70 1.82 113.55 127.33 1j03 h SER 45 Ca -0.02 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.16 1j03 h SER 45 Cb 1.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 1j03 h SER 45 CO -0.00 0.00 -0.77 0.00 -0.87 0.00 0.00 176.83 175.19 1j03 h MET 46 N 0.00 0.00 0.08 4.77 -0.00 -1.89 -3.31 114.93 114.57 1j03 h MET 46 Ca 0.46 0.00 -0.31 0.00 -0.00 0.00 0.00 59.70 59.85 1j03 h MET 46 Cb 2.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.57 1j03 h MET 46 CO -0.00 0.54 -1.68 0.74 -0.00 0.00 0.00 176.91 176.51 1j03 h PHE 47 N 0.00 0.29 -1.21 -0.10 0.04 0.20 -3.44 116.94 112.73 1j03 h PHE 47 Ca -0.04 -0.21 -0.77 0.00 2.80 0.00 0.00 57.97 59.75 1j03 h PHE 47 Cb 1.49 -0.01 0.04 0.00 2.20 0.00 0.00 35.95 39.68 1j03 h PHE 47 CO 0.00 1.34 0.30 0.00 -0.60 0.00 0.00 178.31 179.35 1j03 n ALA 48 N -2.70 -2.44 -2.54 2.45 0.00 0.31 0.19 120.51 115.80 1j03 n ALA 48 Ca -0.20 0.55 -0.20 0.00 0.00 0.00 0.00 53.44 53.60 1j03 n ALA 48 Cb 1.04 -1.89 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 2.28 -0.50 3.48 0.00 0.00 -1.22 -4.73 105.19 104.50 1j03 n GLY 49 Ca 0.22 0.02 -0.17 0.00 0.00 0.00 0.00 46.02 46.09 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 -5.18 1.05 -0.48 1.61 1.02 0.52 -3.87 119.74 114.41 1j03 s LYS 50 Ca 0.06 0.14 -0.25 0.00 0.02 0.00 0.00 55.97 55.94 1j03 s LYS 50 Cb -0.03 0.49 0.03 0.00 -0.52 0.00 0.00 37.83 37.80 1j03 s LYS 50 CO 0.07 -0.34 0.91 0.34 -0.92 0.00 0.00 175.35 175.42 1j03 s ASP 51 N -1.37 6.45 -0.81 2.83 -1.08 -1.26 -3.48 116.67 117.96 1j03 s ASP 51 Ca -0.10 -0.02 -0.03 0.00 -0.52 0.00 0.00 52.55 51.89 1j03 s ASP 51 Cb -0.01 -2.44 0.25 0.00 -1.46 0.00 0.00 42.92 39.27 1j03 s ASP 51 CO 0.07 -1.07 2.22 0.00 0.52 0.00 0.00 175.17 176.91 1j03 n ALA 52 N 7.17 6.46 0.02 3.66 0.00 -1.11 0.11 120.51 136.83 1j03 n ALA 52 Ca 0.05 -3.91 -0.11 0.00 0.00 0.00 0.00 53.44 49.47 1j03 n ALA 52 Cb 0.48 -2.12 -0.08 0.00 0.00 0.00 0.00 19.45 17.73 1j03 n ALA 52 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1j03 h SER 53 N 3.29 -0.12 -0.25 0.00 0.02 -1.75 -1.30 113.55 113.45 1j03 h SER 53 Ca 0.53 -0.46 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1j03 h SER 53 Cb 0.27 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1j03 h SER 53 CO 1.26 0.50 -0.09 0.03 -1.14 0.00 0.00 176.83 177.38 1j03 h ARG 54 N -0.84 0.51 -0.50 3.45 3.08 -1.81 0.74 114.38 119.01 1j03 h ARG 54 Ca -0.01 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 59.84 1j03 h ARG 54 Cb 0.57 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 1j03 h ARG 54 CO 0.02 0.75 0.33 0.00 -1.07 0.00 0.00 179.97 180.00 1j03 h ALA 55 N 0.75 1.68 -0.07 0.04 0.00 -1.65 0.23 119.26 120.24 1j03 h ALA 55 Ca 0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1j03 h ALA 55 Cb 0.58 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1j03 h ALA 55 CO 0.03 0.29 -0.19 -0.07 0.00 0.00 0.00 179.25 179.31 1j03 h LEU 56 N 0.65 0.29 0.11 0.00 3.38 -0.95 0.36 115.31 119.13 1j03 h LEU 56 Ca 0.19 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1j03 h LEU 56 Cb -0.03 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1j03 h LEU 56 CO -0.04 0.83 -0.05 1.23 0.09 0.00 0.00 178.44 180.50 1j03 h GLY 57 N -0.25 -0.15 2.00 0.83 0.00 -0.13 -2.92 103.07 102.45 1j03 h GLY 57 Ca -0.00 0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 1j03 h GLY 57 CO 0.04 -0.05 -0.02 0.50 0.00 0.00 0.00 176.54 177.01 1j03 h LYS 58 N -0.15 0.00 -4.21 4.80 1.57 -0.71 -3.41 116.57 114.46 1j03 h LYS 58 Ca -0.01 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 1j03 h LYS 58 Cb 0.11 0.00 0.10 0.00 0.08 0.00 0.00 32.23 32.52 1j03 h LYS 58 CO 0.02 0.02 -0.47 -1.33 -0.57 0.00 0.00 179.45 177.12 1j03 n MET 59 N -4.02 -4.22 -0.02 3.15 2.81 0.11 -4.95 117.12 109.99 1j03 n MET 59 Ca -0.03 0.52 0.04 0.00 -1.81 0.00 0.00 57.70 56.42 1j03 n MET 59 Cb 0.10 -4.58 -0.10 0.00 -0.71 0.00 0.00 33.22 27.93 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 -2.16 1.88 -1.59 7.83 2.88 -0.47 -4.97 113.62 117.02 1j03 n SER 60 Ca -0.15 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.18 1j03 n SER 60 Cb 0.59 1.42 -0.09 0.00 -0.75 0.00 0.00 64.21 65.38 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 -2.10 -1.44 -2.22 -1.46 5.02 -1.19 -4.90 118.16 109.87 1j03 n LYS 61 Ca -0.07 1.22 -0.42 0.00 -2.02 0.00 0.00 58.31 57.02 1j03 n LYS 61 Cb 0.50 -5.60 -0.03 0.00 -0.02 0.00 0.00 35.03 29.88 1j03 n LYS 61 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1j03 s ASN 62 N -2.77 6.87 0.59 4.39 2.47 -1.26 -4.86 114.94 120.37 1j03 s ASN 62 Ca 0.00 2.24 0.35 0.00 0.42 0.00 0.00 52.86 55.87 1j03 s ASN 62 Cb 0.00 -2.58 1.90 0.00 -1.45 0.00 0.00 41.25 39.12 1j03 s ASN 62 CO 0.00 -0.63 2.06 -0.08 -3.72 0.00 0.00 177.10 174.73 1j03 h GLU 63 N 6.96 0.00 0.00 0.43 4.81 -1.90 0.55 114.58 125.42 1j03 h GLU 63 Ca -0.41 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.76 1j03 h GLU 63 Cb 1.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1j03 h GLU 63 CO 0.86 0.00 -1.17 0.39 -0.73 0.00 0.00 179.01 178.36 1j03 n GLU 64 N -2.83 0.61 0.20 1.92 -0.58 -1.26 -3.66 120.64 115.03 1j03 n GLU 64 Ca -0.02 0.15 0.14 0.00 -0.42 0.00 0.00 57.16 57.00 1j03 n GLU 64 Cb 0.17 -1.81 0.41 0.00 -0.57 0.00 0.00 31.44 29.64 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 0.00 -1.12 1.62 5.19 -0.27 -3.41 116.42 118.43 1j03 h ASP 65 Ca -0.06 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 55.97 1j03 h ASP 65 Cb 1.21 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.67 1j03 h ASP 65 CO 0.02 0.00 0.97 -0.69 -3.12 0.00 0.00 179.24 176.41 1j03 s VAL 66 N -3.33 3.48 -0.14 -1.35 1.01 -1.00 -2.88 120.40 116.19 1j03 s VAL 66 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1j03 s VAL 66 Cb 0.08 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 1j03 s VAL 66 CO 0.57 -1.06 -0.14 -0.94 0.00 0.00 0.00 175.10 173.53 1j03 s SER 67 N 7.63 3.83 0.00 3.32 1.04 0.30 -4.56 113.70 125.26 1j03 s SER 67 Ca 0.66 -0.40 0.10 0.00 0.48 0.00 0.00 55.95 56.79 1j03 s SER 67 Cb -0.08 -1.58 0.57 0.00 0.10 0.00 0.00 66.02 65.03 1j03 s SER 67 CO 0.04 0.13 1.17 -0.81 0.98 0.00 0.00 173.24 174.75 1j03 n PRO 68 N 3.77 0.75 -3.68 4.02 -0.04 -1.26 -4.19 135.00 134.37 1j03 n PRO 68 Ca -0.18 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.13 1j03 n PRO 68 Cb 0.52 -1.20 -0.14 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 -1.55 0.31 -0.65 3.54 1.04 -1.26 -4.24 113.70 110.89 1j03 s SER 69 Ca 0.14 0.50 -0.07 0.00 0.48 0.00 0.00 55.95 57.00 1j03 s SER 69 Cb 0.07 0.51 -0.18 0.00 0.10 0.00 0.00 66.02 66.52 1j03 s SER 69 CO 0.11 -0.22 3.15 0.00 0.98 0.00 0.00 173.24 177.25 1j03 n LEU 70 N 5.07 6.25 -0.76 2.42 -0.00 -1.26 -4.39 117.00 124.34 1j03 n LEU 70 Ca -0.10 -3.47 0.04 0.00 -0.00 0.00 0.00 56.01 52.48 1j03 n LEU 70 Cb 0.50 -1.38 0.14 0.00 -0.00 0.00 0.00 43.42 42.68 1j03 n LEU 70 CO 0.06 1.66 0.55 -0.62 -0.00 0.00 0.00 177.39 179.04 1j03 n GLU 71 N 3.03 2.04 -0.72 1.47 1.02 -1.26 -3.64 120.64 122.59 1j03 n GLU 71 Ca 0.54 -1.10 -0.03 0.00 -0.02 0.00 0.00 57.16 56.55 1j03 n GLU 71 Cb 0.58 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.48 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 0.62 0.79 3.56 0.62 0.00 -1.26 -5.08 105.19 104.44 1j03 n GLY 72 Ca 0.10 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 3.36 0.00 0.99 2.01 -1.24 -5.00 118.68 118.80 1j03 s LEU 73 Ca 0.00 -0.25 -0.00 0.00 0.01 0.00 0.00 54.13 53.89 1j03 s LEU 73 Cb 0.00 -2.80 0.00 0.00 0.01 0.00 0.00 46.19 43.41 1j03 s LEU 73 CO -0.00 -1.66 0.02 1.07 1.01 0.00 0.00 176.35 176.78 1j03 n THR 74 N 6.47 0.00 -0.10 5.49 5.66 -1.26 -4.52 114.28 126.02 1j03 n THR 74 Ca 0.05 -0.01 -0.13 0.00 -3.05 0.00 0.00 64.05 60.91 1j03 n THR 74 Cb 0.49 -1.08 -0.04 0.00 -1.55 0.00 0.00 70.33 68.15 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 0.75 -0.27 1.09 5.08 -1.95 0.90 114.58 120.17 1j03 h GLU 75 Ca -0.01 -0.38 0.07 0.00 -1.00 0.00 0.00 59.36 58.04 1j03 h GLU 75 Cb 0.02 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.20 1j03 h GLU 75 CO 0.00 1.00 -0.23 -0.22 -1.00 0.00 0.00 179.01 178.56 1j03 h LYS 76 N 0.51 -0.22 -0.02 2.33 3.64 -1.96 0.27 116.57 121.12 1j03 h LYS 76 Ca 0.06 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.30 1j03 h LYS 76 Cb 0.84 0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.72 1j03 h LYS 76 CO 0.07 -0.14 -0.58 1.05 -2.27 0.00 0.00 179.45 177.58 1j03 h GLU 77 N -0.22 0.43 -1.00 1.90 9.09 -1.77 -1.77 114.58 121.23 1j03 h GLU 77 Ca 0.15 -0.44 0.29 0.00 0.05 0.00 0.00 59.36 59.41 1j03 h GLU 77 Cb 0.45 0.12 -0.04 0.00 -1.65 0.00 0.00 28.75 27.63 1j03 h GLU 77 CO -0.40 1.09 0.76 0.82 0.05 0.00 0.00 179.01 181.33 1j03 h ILE 78 N -0.05 0.43 0.06 -1.06 1.08 0.13 9.10 117.51 127.19 1j03 h ILE 78 Ca -0.07 0.00 -0.22 0.00 -0.39 0.00 0.00 64.86 64.19 1j03 h ILE 78 Cb 1.27 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 35.47 1j03 h ILE 78 CO 0.12 0.00 -1.13 0.78 -0.69 0.00 0.00 178.15 177.23 1j03 h ASN 79 N 0.00 0.20 -0.00 1.72 2.35 -0.40 -2.92 115.58 116.52 1j03 h ASN 79 Ca 0.48 -0.77 -0.08 0.00 -0.55 0.00 0.00 56.30 55.37 1j03 h ASN 79 Cb 1.99 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 40.30 1j03 h ASN 79 CO -0.01 1.47 -0.33 0.74 -1.65 0.00 0.00 177.43 177.66 1j03 h THR 80 N -0.63 1.52 0.39 2.81 2.02 0.31 -2.62 112.91 116.72 1j03 h THR 80 Ca -0.27 -1.99 -0.01 0.00 0.77 0.00 0.00 66.41 64.92 1j03 h THR 80 Cb 1.49 2.74 -0.01 0.00 -1.74 0.00 0.00 68.15 70.63 1j03 h THR 80 CO -0.03 0.55 -0.32 0.25 0.37 0.00 0.00 175.52 176.34 1j03 h LEU 81 N -0.42 -0.83 -0.36 2.58 7.12 1.93 1.90 115.31 127.22 1j03 h LEU 81 Ca -0.04 0.06 0.07 0.00 0.13 0.00 0.00 57.88 58.11 1j03 h LEU 81 Cb 1.08 0.27 -0.09 0.00 -0.53 0.00 0.00 40.66 41.39 1j03 h LEU 81 CO 0.06 -0.47 -0.33 0.78 -0.13 0.00 0.00 178.44 178.35 1j03 h ASN 82 N -0.71 -1.10 -0.35 1.25 4.21 -1.48 0.76 115.58 118.15 1j03 h ASN 82 Ca -0.03 0.19 -0.04 0.00 1.21 0.00 0.00 56.30 57.62 1j03 h ASN 82 Cb 0.62 0.51 -0.02 0.00 -1.12 0.00 0.00 38.32 38.30 1j03 h ASN 82 CO -0.01 -0.33 0.09 0.44 -1.29 0.00 0.00 177.43 176.33 1j03 h ASP 83 N -0.28 0.59 -0.93 5.81 3.32 -1.13 -1.39 116.42 122.41 1j03 h ASP 83 Ca 0.16 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.13 1j03 h ASP 83 Cb 0.54 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 1j03 h ASP 83 CO -0.52 0.60 0.62 -0.50 -1.72 0.00 0.00 179.24 177.72 1j03 h TRP 84 N 0.62 1.17 -0.06 4.55 -0.00 0.68 0.44 115.95 123.35 1j03 h TRP 84 Ca 0.14 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 59.06 1j03 h TRP 84 Cb 0.25 -0.40 -0.00 0.00 -0.00 0.00 0.00 29.16 29.01 1j03 h TRP 84 CO 0.01 0.73 0.04 1.49 -0.00 0.00 0.00 178.44 180.71 1j03 h GLU 85 N 1.26 0.08 -0.30 0.49 4.81 0.14 0.67 114.58 121.73 1j03 h GLU 85 Ca 0.35 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1j03 h GLU 85 Cb -0.13 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1j03 h GLU 85 CO -0.08 0.10 0.20 1.15 -0.73 0.00 0.00 179.01 179.65 1j03 h THR 86 N 0.04 1.08 0.03 0.32 2.02 -0.83 2.97 112.91 118.53 1j03 h THR 86 Ca 0.02 -0.14 -0.27 0.00 0.77 0.00 0.00 66.41 66.79 1j03 h THR 86 Cb 0.04 0.64 0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1j03 h THR 86 CO -0.00 0.07 -1.08 0.11 0.37 0.00 0.00 175.52 174.99 1j03 h LYS 87 N 0.40 0.63 0.13 6.66 1.57 -0.26 0.57 116.57 126.27 1j03 h LYS 87 Ca 0.11 -0.72 -0.30 0.00 -1.87 0.00 0.00 60.65 57.87 1j03 h LYS 87 Cb -0.04 0.21 0.03 0.00 0.08 0.00 0.00 32.23 32.51 1j03 h LYS 87 CO -0.02 1.30 -1.25 0.74 -0.57 0.00 0.00 179.45 179.64 1j03 h PHE 88 N 0.33 1.02 -0.02 -1.35 -1.00 0.14 -3.02 116.94 113.04 1j03 h PHE 88 Ca -0.14 -0.65 -0.14 0.00 2.81 0.00 0.00 57.97 59.86 1j03 h PHE 88 Cb 1.74 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 41.20 1j03 h PHE 88 CO 0.10 1.48 -0.65 1.49 -1.61 0.00 0.00 178.31 179.12 1j03 h GLU 89 N 0.26 0.08 -0.13 1.51 4.22 0.52 3.27 114.58 124.32 1j03 h GLU 89 Ca -0.19 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.19 1j03 h GLU 89 Cb 1.93 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.19 1j03 h GLU 89 CO 0.24 0.70 0.00 0.00 -2.18 0.00 0.00 179.01 177.77 1j03 n ALA 90 N -2.43 2.50 0.10 2.92 0.00 0.19 -4.26 120.51 119.52 1j03 n ALA 90 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1j03 n ALA 90 Cb 0.65 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.12 0.00 -2.94 0.00 4.76 -0.91 -5.00 118.16 113.95 1j03 n LYS 91 Ca 0.07 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.10 1j03 n LYS 91 Cb 0.14 -0.06 -0.04 0.00 -1.84 0.00 0.00 35.03 33.22 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 -1.75 3.54 0.37 2.13 2.02 1.08 -5.02 117.35 119.72 1j03 s TYR 92 Ca 0.00 1.32 -0.25 0.00 -0.37 0.00 0.00 57.07 57.77 1j03 s TYR 92 Cb 0.00 -2.92 -0.09 0.00 -0.40 0.00 0.00 41.96 38.55 1j03 s TYR 92 CO 0.00 -0.03 1.06 -1.25 -1.57 0.00 0.00 175.55 173.76 1j03 s PRO 93 N 1.26 4.28 -0.40 -1.71 0.04 -1.22 -4.15 135.00 133.11 1j03 s PRO 93 Ca 0.40 1.58 -0.16 0.00 0.04 0.00 0.00 61.00 62.86 1j03 s PRO 93 Cb -0.18 -2.71 0.01 0.00 0.04 0.00 0.00 34.50 31.67 1j03 s PRO 93 CO 0.18 -0.05 0.39 0.54 0.04 0.00 0.00 177.00 178.10 1j03 s VAL 94 N -1.53 5.15 -1.98 -0.36 0.11 -1.26 0.25 120.40 120.78 1j03 s VAL 94 Ca 0.54 -0.33 0.14 0.00 -2.93 0.00 0.00 61.98 59.41 1j03 s VAL 94 Cb -0.25 -3.96 0.42 0.00 -1.53 0.00 0.00 36.38 31.06 1j03 s VAL 94 CO 0.31 -0.32 1.35 1.33 -3.33 0.00 0.00 175.10 174.44 1j03 n VAL 95 N 5.33 0.65 0.00 2.04 0.24 -1.06 -4.96 118.33 120.57 1j03 n VAL 95 Ca -0.09 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 1j03 n VAL 95 Cb 0.48 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 1j03 n VAL 95 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j03 n GLY 96 N 1.24 1.69 3.19 7.63 0.00 -1.23 -4.06 105.19 113.66 1j03 n GLY 96 Ca 0.16 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 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 3.04 -0.05 1.61 1.04 -1.26 0.53 118.95 121.86 1j03 s ARG 97 Ca 0.00 -0.86 -0.39 0.00 -1.04 0.00 0.00 55.73 53.44 1j03 s ARG 97 Cb 0.00 -2.39 -0.17 0.00 -2.04 0.00 0.00 34.95 30.35 1j03 s ARG 97 CO 0.00 0.07 1.41 0.28 -0.04 0.00 0.00 175.30 177.01 1j03 n VAL 98 N 3.85 0.07 0.00 4.99 0.31 0.59 -3.46 118.33 124.68 1j03 n VAL 98 Ca -0.20 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1j03 n VAL 98 Cb 0.52 -0.76 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 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 2.94 0.00 -0.75 2.52 0.24 -1.09 -4.72 118.33 117.46 1j03 n VAL 99 Ca 0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.51 1j03 n VAL 99 Cb 0.14 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 1j03 n VAL 99 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15