#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 0.70 -0.02 1.61 -0.04 -1.26 -4.95 135.00 131.04 1j03 n PRO 0 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 1j03 n PRO 0 Cb 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 33.56 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 0.61 -4.41 0.54 2.86 -1.94 -3.48 114.93 109.11 1j03 h MET 1 Ca 0.00 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1j03 h MET 1 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1j03 h MET 1 CO 0.00 0.89 -0.97 0.39 1.06 0.00 0.00 176.91 178.28 1j03 n GLU 2 N -4.04 -5.62 -4.39 1.72 1.02 -1.26 -4.94 120.64 103.12 1j03 n GLU 2 Ca -0.01 3.98 -0.34 0.00 -0.02 0.00 0.00 57.16 60.77 1j03 n GLU 2 Cb 0.50 -4.33 -0.12 0.00 -0.02 0.00 0.00 31.44 27.47 1j03 n GLU 2 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1j03 s PHE 3 N -0.87 3.00 0.56 -0.32 0.40 -1.07 -4.89 117.98 114.78 1j03 s PHE 3 Ca 0.00 -0.39 -0.15 0.00 -0.60 0.00 0.00 56.93 55.79 1j03 s PHE 3 Cb 0.00 -1.96 -0.06 0.00 0.51 0.00 0.00 43.02 41.51 1j03 s PHE 3 CO 0.00 -0.10 1.01 0.95 0.70 0.00 0.00 175.22 177.78 1j03 s THR 4 N 0.48 4.34 0.57 0.64 -4.23 -1.26 -2.03 115.64 114.15 1j03 s THR 4 Ca -0.04 1.06 0.29 0.00 -1.18 0.00 0.00 61.69 61.82 1j03 s THR 4 Cb -0.14 -3.63 0.41 0.00 1.34 0.00 0.00 72.50 70.47 1j03 s THR 4 CO 0.03 -0.70 1.90 0.00 -0.54 0.00 0.00 174.62 175.30 1j03 h ALA 5 N 0.56 2.37 -0.09 3.99 0.00 -1.89 0.75 119.26 124.95 1j03 h ALA 5 Ca -0.46 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1j03 h ALA 5 Cb 1.20 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1j03 h ALA 5 CO 0.60 -0.81 -0.05 0.93 0.00 0.00 0.00 179.25 179.92 1j03 h GLU 6 N 0.00 0.19 -0.10 0.00 3.07 -1.95 0.62 114.58 116.41 1j03 h GLU 6 Ca 0.27 -0.09 -0.21 0.00 -0.50 0.00 0.00 59.36 58.83 1j03 h GLU 6 Cb 1.30 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 1j03 h GLU 6 CO -0.00 0.57 -0.79 1.96 -1.40 0.00 0.00 179.01 179.35 1j03 h GLN 7 N -0.18 0.60 0.00 2.33 4.20 -0.97 -2.98 115.11 118.11 1j03 h GLN 7 Ca 0.02 -0.51 -0.08 0.00 0.06 0.00 0.00 58.65 58.14 1j03 h GLN 7 Cb 0.51 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1j03 h GLN 7 CO 0.01 1.13 -0.38 1.25 -0.67 0.00 0.00 178.83 180.18 1j03 h LEU 8 N 0.40 0.00 0.00 1.46 5.85 0.33 -2.12 115.31 121.23 1j03 h LEU 8 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1j03 h LEU 8 Cb 1.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1j03 h LEU 8 CO 0.15 0.38 0.00 -1.54 -0.34 0.00 0.00 178.44 177.09 1j03 n SER 9 N -3.51 0.00 -0.29 1.25 3.41 0.22 -2.38 113.62 112.31 1j03 n SER 9 Ca -0.00 -0.14 0.07 0.00 -0.26 0.00 0.00 58.87 58.54 1j03 n SER 9 Cb 0.52 -0.26 0.13 0.00 -0.26 0.00 0.00 64.21 64.34 1j03 n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j03 n GLN 10 N -1.26 2.22 -3.17 4.33 10.64 -0.80 -4.74 117.38 124.60 1j03 n GLN 10 Ca 0.13 -2.32 -0.23 0.00 -1.83 0.00 0.00 57.00 52.75 1j03 n GLN 10 Cb 0.19 -1.43 -0.05 0.00 -0.86 0.00 0.00 30.24 28.10 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 -0.80 1.68 -0.53 2.61 4.01 -1.00 -4.59 117.16 118.54 1j03 n TYR 11 Ca 0.13 -3.87 0.03 0.00 -0.16 0.00 0.00 57.90 54.03 1j03 n TYR 11 Cb 0.58 -0.45 0.04 0.00 -0.31 0.00 0.00 39.34 39.19 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 0.53 1.70 -2.10 7.72 0.23 -1.23 -0.40 115.26 121.70 1j03 n ASN 12 Ca 0.26 -2.14 -0.03 0.00 -0.53 0.00 0.00 54.58 52.15 1j03 n ASN 12 Cb 0.51 -0.12 -0.02 0.00 -2.08 0.00 0.00 39.78 38.07 1j03 n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1j03 n GLY 13 N -0.64 -4.14 0.04 4.83 0.00 -1.26 -3.57 105.19 100.45 1j03 n GLY 13 Ca 0.04 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 0.84 0.00 0.00 2.61 5.66 -1.26 -0.43 114.28 121.70 1j03 n THR 14 Ca -0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1j03 n THR 14 Cb 0.30 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.08 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 -1.23 0.00 0.00 1.09 -0.08 -1.26 -4.99 116.55 110.08 1j03 n ASP 15 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1j03 n ASP 15 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1j03 n ASP 15 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1j03 n GLU 16 N 0.00 0.00 -0.69 -0.67 1.02 -1.26 -4.57 120.64 114.47 1j03 n GLU 16 Ca 0.00 0.03 -0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1j03 n GLU 16 Cb 0.00 -0.65 0.20 0.00 -0.02 0.00 0.00 31.44 30.97 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 -0.59 2.39 -4.72 1.62 7.64 -1.26 -5.03 113.62 113.67 1j03 n SER 17 Ca 0.00 -3.72 -0.42 0.00 1.01 0.00 0.00 58.87 55.75 1j03 n SER 17 Cb 0.00 -0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 62.58 1j03 n SER 17 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1j03 s LYS 18 N -3.20 4.34 0.75 1.43 -0.14 -1.26 -5.00 119.74 116.66 1j03 s LYS 18 Ca 0.42 2.07 -0.11 0.00 -1.36 0.00 0.00 55.97 56.99 1j03 s LYS 18 Cb 0.39 -3.23 0.04 0.00 -1.68 0.00 0.00 37.83 33.35 1j03 s LYS 18 CO -0.01 -0.38 1.08 -1.25 -0.76 0.00 0.00 175.35 174.03 1j03 s PRO 19 N 0.68 2.49 -0.35 -1.68 0.04 -1.26 -4.52 135.00 130.40 1j03 s PRO 19 Ca 0.62 0.79 -0.08 0.00 0.04 0.00 0.00 61.00 62.36 1j03 s PRO 19 Cb -0.37 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.25 1j03 s PRO 19 CO 0.33 -1.37 0.15 0.42 0.04 0.00 0.00 177.00 176.57 1j03 s ILE 20 N -3.10 4.15 -0.03 0.56 1.09 -1.26 -3.57 121.20 119.04 1j03 s ILE 20 Ca 0.59 -0.98 0.03 0.00 -1.10 0.00 0.00 60.65 59.20 1j03 s ILE 20 Cb -0.14 -3.32 -0.00 0.00 -1.06 0.00 0.00 42.46 37.94 1j03 s ILE 20 CO 0.55 -0.19 -0.12 -0.31 -0.10 0.00 0.00 174.94 174.77 1j03 s TYR 21 N 1.48 1.24 0.10 3.97 2.02 0.47 -3.48 117.35 123.15 1j03 s TYR 21 Ca 0.00 -0.32 0.09 0.00 -0.37 0.00 0.00 57.07 56.46 1j03 s TYR 21 Cb -0.19 -0.85 -0.04 0.00 -0.40 0.00 0.00 41.96 40.47 1j03 s TYR 21 CO 0.05 -0.12 -0.18 0.14 -1.57 0.00 0.00 175.55 173.87 1j03 s VAL 22 N 0.09 2.86 0.10 0.71 -7.23 -0.35 -2.19 120.40 114.40 1j03 s VAL 22 Ca -0.03 -1.44 0.04 0.00 -1.81 0.00 0.00 61.98 58.75 1j03 s VAL 22 Cb -0.09 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1j03 s VAL 22 CO 0.01 0.14 0.04 0.00 -0.31 0.00 0.00 175.10 174.98 1j03 s ALA 23 N -1.11 3.41 -0.27 1.32 0.00 -1.17 0.20 121.76 124.13 1j03 s ALA 23 Ca 0.18 -1.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.00 1j03 s ALA 23 Cb -0.11 -1.28 0.16 0.00 0.00 0.00 0.00 23.12 21.90 1j03 s ALA 23 CO 0.10 0.68 0.47 0.42 0.00 0.00 0.00 175.76 177.42 1j03 s ILE 24 N -1.42 -0.76 -1.37 0.00 1.01 0.26 -2.32 121.20 116.59 1j03 s ILE 24 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.88 1j03 s ILE 24 Cb -0.11 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.46 1j03 s ILE 24 CO 0.20 -0.08 0.00 0.29 0.00 0.00 0.00 174.94 175.35 1j03 n LYS 25 N 5.39 -1.16 -0.21 2.79 4.76 -1.26 -0.90 118.16 127.57 1j03 n LYS 25 Ca -0.02 0.93 0.00 0.00 -2.87 0.00 0.00 58.31 56.35 1j03 n LYS 25 Cb 0.51 -5.09 0.00 0.00 -1.84 0.00 0.00 35.03 28.61 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 -0.88 0.89 3.39 0.72 0.00 -1.26 -4.91 105.19 103.14 1j03 n GLY 26 Ca -0.13 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.65 3.45 -0.22 1.61 3.52 -0.08 0.23 118.95 126.81 1j03 s ARG 27 Ca 0.00 -0.65 -0.23 0.00 -0.13 0.00 0.00 55.73 54.73 1j03 s ARG 27 Cb 0.00 -2.71 -0.02 0.00 -1.56 0.00 0.00 34.95 30.66 1j03 s ARG 27 CO 0.00 0.20 0.73 0.08 -0.81 0.00 0.00 175.30 175.49 1j03 s VAL 28 N 0.42 4.93 -0.00 7.11 1.01 0.45 0.92 120.40 135.24 1j03 s VAL 28 Ca -0.08 1.37 0.05 0.00 0.00 0.00 0.00 61.98 63.31 1j03 s VAL 28 Cb -0.15 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1j03 s VAL 28 CO 0.04 0.02 -0.14 -0.36 0.00 0.00 0.00 175.10 174.67 1j03 s PHE 29 N 2.38 2.69 -0.19 5.22 0.08 0.52 -3.46 117.98 125.22 1j03 s PHE 29 Ca 0.32 -0.17 -0.21 0.00 0.12 0.00 0.00 56.93 56.99 1j03 s PHE 29 Cb -0.16 -1.56 -0.02 0.00 -0.57 0.00 0.00 43.02 40.70 1j03 s PHE 29 CO 0.09 0.25 0.65 0.34 -0.10 0.00 0.00 175.22 176.45 1j03 s ASP 30 N -1.15 6.72 0.00 1.36 -1.08 0.96 -1.21 116.67 122.26 1j03 s ASP 30 Ca 0.14 0.87 0.00 0.00 -0.52 0.00 0.00 52.55 53.04 1j03 s ASP 30 Cb -0.11 -2.36 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 1j03 s ASP 30 CO 0.04 -0.27 0.43 1.33 0.52 0.00 0.00 175.17 177.22 1j03 n VAL 31 N 4.65 0.11 0.09 1.11 0.24 -1.23 -3.57 118.33 119.72 1j03 n VAL 31 Ca -0.01 -0.41 0.21 0.00 -2.04 0.00 0.00 64.34 62.08 1j03 n VAL 31 Cb 0.50 1.18 0.73 0.00 -1.47 0.00 0.00 33.84 34.78 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 0.36 0.32 0.00 3.34 1.03 -1.89 0.22 112.91 116.29 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 0.21 0.60 0.00 0.00 -1.07 0.00 0.00 68.15 67.89 1j03 h THR 32 CO 0.00 0.00 0.15 1.07 -0.01 0.00 0.00 175.52 176.73 1j03 n THR 33 N -3.63 1.39 -2.69 0.00 5.66 -1.26 -1.67 114.28 112.08 1j03 n THR 33 Ca 0.08 0.50 -0.07 0.00 -3.05 0.00 0.00 64.05 61.51 1j03 n THR 33 Cb 0.67 -1.50 0.10 0.00 -1.55 0.00 0.00 70.33 68.04 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 -1.35 1.42 0.40 1.09 0.00 0.77 -4.94 105.19 102.59 1j03 n GLY 34 Ca -0.00 -0.42 0.19 0.00 0.00 0.00 0.00 46.02 45.79 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 2.20 0.00 0.00 1.61 2.10 -1.34 1.00 116.57 122.15 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 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1j03 h LYS 35 CO 0.07 0.00 0.14 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 -1.90 4.60 113.55 124.20 1j03 h SER 36 Ca 0.20 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.52 1j03 h SER 36 Cb 1.47 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.39 1j03 h SER 36 CO -0.00 0.00 -1.85 0.49 -0.53 0.00 0.00 176.83 174.93 1j03 n PHE 37 N -2.72 0.00 -0.02 2.24 3.72 0.34 -4.30 117.46 116.72 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 0.18 -0.57 -0.14 0.00 -0.94 0.00 0.00 39.48 38.02 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 -3.21 1.01 -0.70 1.38 4.01 -0.95 0.32 117.16 119.02 1j03 n TYR 38 Ca -0.28 0.23 -0.21 0.00 -0.16 0.00 0.00 57.90 57.48 1j03 n TYR 38 Cb 0.76 -1.14 0.10 0.00 -0.31 0.00 0.00 39.34 38.75 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 2.00 -2.27 2.89 2.72 0.00 1.51 -4.35 105.19 107.68 1j03 n GLY 39 Ca -0.33 -0.49 -0.49 0.00 0.00 0.00 0.00 46.02 44.72 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 0.59 -0.02 -2.97 1.61 2.88 0.43 -2.70 113.62 113.44 1j03 n SER 40 Ca 0.02 0.96 -0.08 0.00 -1.33 0.00 0.00 58.87 58.44 1j03 n SER 40 Cb 0.41 -0.76 0.01 0.00 -0.75 0.00 0.00 64.21 63.11 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 1.24 0.04 3.45 0.46 0.00 -1.26 -4.97 105.19 104.15 1j03 n GLY 41 Ca 0.16 0.23 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 0.90 1.87 0.35 -0.02 0.00 -1.10 -4.93 105.19 102.26 1j03 n GLY 42 Ca -0.02 -1.54 0.02 0.00 0.00 0.00 0.00 46.02 44.49 1j03 n GLY 42 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1j03 h ASP 43 N 1.97 -1.07 -2.20 1.61 1.82 0.50 0.14 116.42 119.19 1j03 h ASP 43 Ca -0.28 0.29 -0.76 0.00 -0.39 0.00 0.00 57.03 55.88 1j03 h ASP 43 Cb 1.20 0.64 -0.30 0.00 0.68 0.00 0.00 39.33 41.54 1j03 h ASP 43 CO 0.38 -0.30 0.71 -1.22 -1.61 0.00 0.00 179.24 177.20 1j03 n TYR 44 N -5.54 3.03 0.15 0.28 4.01 0.55 -4.68 117.16 114.96 1j03 n TYR 44 Ca 0.12 -2.78 0.01 0.00 -0.16 0.00 0.00 57.90 55.09 1j03 n TYR 44 Cb 0.44 -1.04 0.20 0.00 -0.31 0.00 0.00 39.34 38.63 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 3.78 0.00 0.62 7.72 4.64 -0.83 -0.66 113.55 128.82 1j03 h SER 45 Ca 0.47 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.51 1j03 h SER 45 Cb 0.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1j03 h SER 45 CO 1.15 0.56 -1.41 0.00 -0.87 0.00 0.00 176.83 176.26 1j03 h MET 46 N 0.00 0.12 -0.01 4.77 -0.00 -1.83 -3.32 114.93 114.66 1j03 h MET 46 Ca -0.01 -0.21 -0.20 0.00 -0.00 0.00 0.00 59.70 59.29 1j03 h MET 46 Cb 1.08 0.08 -0.01 0.00 -0.00 0.00 0.00 31.60 32.75 1j03 h MET 46 CO 0.07 0.94 -0.86 0.74 -0.00 0.00 0.00 176.91 177.81 1j03 h PHE 47 N 0.03 0.39 -1.66 -0.10 0.04 -1.81 -3.41 116.94 110.43 1j03 h PHE 47 Ca -0.18 -0.21 -0.69 0.00 2.80 0.00 0.00 57.97 59.68 1j03 h PHE 47 Cb 1.94 -0.05 0.04 0.00 2.20 0.00 0.00 35.95 40.09 1j03 h PHE 47 CO 0.03 1.01 0.63 0.00 -0.60 0.00 0.00 178.31 179.37 1j03 n ALA 48 N -2.49 -0.61 -3.54 2.45 0.00 -0.26 0.52 120.51 116.59 1j03 n ALA 48 Ca -0.04 0.47 -0.26 0.00 0.00 0.00 0.00 53.44 53.60 1j03 n ALA 48 Cb 0.79 -2.14 0.02 0.00 0.00 0.00 0.00 19.45 18.11 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 3.14 -0.50 3.52 0.00 0.00 -0.93 -4.62 105.19 105.81 1j03 n GLY 49 Ca 0.21 0.14 -0.17 0.00 0.00 0.00 0.00 46.02 46.21 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 -6.22 1.00 -0.66 1.61 1.02 0.18 -4.22 119.74 112.45 1j03 s LYS 50 Ca 0.50 0.21 -0.27 0.00 0.02 0.00 0.00 55.97 56.42 1j03 s LYS 50 Cb -0.25 0.47 0.03 0.00 -0.52 0.00 0.00 37.83 37.56 1j03 s LYS 50 CO 0.61 -0.32 1.21 0.34 -0.92 0.00 0.00 175.35 176.27 1j03 s ASP 51 N -1.26 6.29 -0.69 2.83 -1.08 -1.26 -3.04 116.67 118.46 1j03 s ASP 51 Ca -0.09 -0.25 -0.04 0.00 -0.52 0.00 0.00 52.55 51.65 1j03 s ASP 51 Cb -0.00 -2.54 0.10 0.00 -1.46 0.00 0.00 42.92 39.02 1j03 s ASP 51 CO 0.08 -1.64 2.61 0.00 0.52 0.00 0.00 175.17 176.73 1j03 n ALA 52 N 8.80 6.53 -0.01 3.66 0.00 -0.98 -0.86 120.51 137.66 1j03 n ALA 52 Ca 0.05 -3.40 -0.09 0.00 0.00 0.00 0.00 53.44 50.00 1j03 n ALA 52 Cb 0.49 -2.27 -0.07 0.00 0.00 0.00 0.00 19.45 17.59 1j03 n ALA 52 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1j03 h SER 53 N 3.39 -0.09 -0.52 0.00 0.87 -1.75 -2.24 113.55 113.21 1j03 h SER 53 Ca 0.48 -0.43 -0.12 0.00 -1.23 0.00 0.00 61.79 60.49 1j03 h SER 53 Cb 0.57 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 1j03 h SER 53 CO 1.06 0.58 -0.13 0.03 -0.53 0.00 0.00 176.83 177.84 1j03 h ARG 54 N -0.95 1.01 -0.59 2.24 3.08 -1.80 0.45 114.38 117.82 1j03 h ARG 54 Ca -0.01 -0.39 0.02 0.00 0.07 0.00 0.00 59.98 59.67 1j03 h ARG 54 Cb 0.52 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1j03 h ARG 54 CO 0.02 1.07 0.37 0.00 -1.07 0.00 0.00 179.97 180.35 1j03 h ALA 55 N 0.91 0.75 -0.14 0.04 0.00 -1.76 0.31 119.26 119.38 1j03 h ALA 55 Ca 0.13 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1j03 h ALA 55 Cb 0.70 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1j03 h ALA 55 CO 0.05 0.12 -0.30 -0.07 0.00 0.00 0.00 179.25 179.05 1j03 h LEU 56 N 0.73 0.50 0.00 0.00 3.38 -1.20 0.43 115.31 119.15 1j03 h LEU 56 Ca 0.23 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1j03 h LEU 56 Cb -0.02 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1j03 h LEU 56 CO -0.08 0.98 0.00 0.61 0.09 0.00 0.00 178.44 180.04 1j03 n GLY 57 N 0.46 -2.76 0.27 0.83 0.00 0.16 -2.75 105.19 101.40 1j03 n GLY 57 Ca -0.07 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.04 1.61 6.56 -0.55 -3.40 116.57 118.75 1j03 h LYS 58 Ca 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.49 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 0.03 -0.17 -1.33 -2.06 0.00 0.00 179.45 175.93 1j03 n MET 59 N -4.10 -1.82 -0.03 3.15 2.81 0.13 -4.96 117.12 112.30 1j03 n MET 59 Ca -0.03 0.22 -0.13 0.00 -1.81 0.00 0.00 57.70 55.95 1j03 n MET 59 Cb 0.12 -3.45 -0.14 0.00 -0.71 0.00 0.00 33.22 29.04 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 0.44 1.19 -0.06 7.83 2.88 -0.26 -4.95 113.62 120.69 1j03 n SER 60 Ca -0.01 0.27 -0.01 0.00 -1.33 0.00 0.00 58.87 57.79 1j03 n SER 60 Cb 0.52 -0.18 -0.00 0.00 -0.75 0.00 0.00 64.21 63.80 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 -3.15 -0.77 -2.37 -1.46 5.02 -1.17 -4.97 118.16 109.30 1j03 n LYS 61 Ca -0.25 0.25 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 1j03 n LYS 61 Cb 1.06 -3.87 -0.04 0.00 -0.02 0.00 0.00 35.03 32.17 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 -2.08 7.10 0.46 4.39 -0.87 -1.26 -4.77 114.94 117.90 1j03 s ASN 62 Ca 0.00 2.38 0.27 0.00 -1.57 0.00 0.00 52.86 53.94 1j03 s ASN 62 Cb 0.00 -2.63 0.77 0.00 -0.02 0.00 0.00 41.25 39.37 1j03 s ASN 62 CO 0.00 -0.27 1.76 -0.08 -2.57 0.00 0.00 177.10 175.94 1j03 h GLU 63 N 3.63 0.00 0.00 -0.60 4.22 -1.93 -2.79 114.58 117.11 1j03 h GLU 63 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.97 1j03 h GLU 63 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1j03 h GLU 63 CO 0.66 0.00 -0.74 0.93 -2.18 0.00 0.00 179.01 177.69 1j03 h GLU 64 N 0.00 0.00 0.10 1.92 4.39 -1.95 -3.30 114.58 115.74 1j03 h GLU 64 Ca 0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 1j03 h GLU 64 Cb 0.78 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1j03 h GLU 64 CO 0.00 0.00 -1.33 0.38 -1.16 0.00 0.00 179.01 176.90 1j03 h ASP 65 N 0.00 0.34 -1.50 1.42 3.04 -1.89 -3.45 116.42 114.37 1j03 h ASP 65 Ca 0.00 -0.40 -0.72 0.00 -3.24 0.00 0.00 57.03 52.67 1j03 h ASP 65 Cb 0.92 -0.11 0.01 0.00 -1.04 0.00 0.00 39.33 39.11 1j03 h ASP 65 CO 0.00 1.33 1.00 1.33 -2.04 0.00 0.00 179.24 180.85 1j03 n VAL 66 N -3.46 0.32 -4.28 4.15 0.24 -1.08 -4.28 118.33 109.93 1j03 n VAL 66 Ca -0.10 -0.08 -0.30 0.00 -2.04 0.00 0.00 64.34 61.81 1j03 n VAL 66 Cb 1.02 -1.33 -0.16 0.00 -1.47 0.00 0.00 33.84 31.90 1j03 n VAL 66 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1j03 s SER 67 N 4.13 2.70 0.00 -1.34 1.04 -0.04 -4.83 113.70 115.37 1j03 s SER 67 Ca 1.00 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 56.94 1j03 s SER 67 Cb -1.02 -1.21 0.04 0.00 0.10 0.00 0.00 66.02 63.93 1j03 s SER 67 CO 0.63 -0.00 0.79 -0.81 0.98 0.00 0.00 173.24 174.82 1j03 n PRO 68 N 4.45 0.75 -3.66 4.02 -0.04 -1.26 -4.23 135.00 135.03 1j03 n PRO 68 Ca -0.18 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.14 1j03 n PRO 68 Cb 0.51 -1.02 -0.08 0.00 -0.04 0.00 0.00 33.50 32.87 1j03 n PRO 68 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j03 s SER 69 N -1.27 -0.66 -0.35 3.54 0.15 -1.26 -4.31 113.70 109.54 1j03 s SER 69 Ca 0.01 1.26 -0.06 0.00 0.70 0.00 0.00 55.95 57.86 1j03 s SER 69 Cb 0.01 1.26 -0.19 0.00 -1.71 0.00 0.00 66.02 65.38 1j03 s SER 69 CO 0.01 -0.22 3.03 0.00 1.20 0.00 0.00 173.24 177.26 1j03 n LEU 70 N 2.91 5.21 -1.31 3.45 -0.00 -1.26 -4.22 117.00 121.77 1j03 n LEU 70 Ca -0.15 -3.05 0.08 0.00 -0.00 0.00 0.00 56.01 52.90 1j03 n LEU 70 Cb 0.56 -1.25 0.29 0.00 -0.00 0.00 0.00 43.42 43.02 1j03 n LEU 70 CO 0.06 1.42 0.74 -0.62 -0.00 0.00 0.00 177.39 178.98 1j03 n GLU 71 N 2.89 3.08 -0.71 1.47 -0.58 -1.26 -4.19 120.64 121.34 1j03 n GLU 71 Ca 0.44 -2.32 -0.03 0.00 -0.42 0.00 0.00 57.16 54.83 1j03 n GLU 71 Cb 0.63 -1.72 -0.03 0.00 -0.57 0.00 0.00 31.44 29.75 1j03 n GLU 71 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j03 n GLY 72 N 1.09 0.11 3.64 0.62 0.00 -1.26 -5.12 105.19 104.27 1j03 n GLY 72 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 4.09 0.00 0.99 2.01 -1.26 -5.06 118.68 119.46 1j03 s LEU 73 Ca 0.00 0.72 -0.07 0.00 0.01 0.00 0.00 54.13 54.79 1j03 s LEU 73 Cb 0.00 -2.82 0.16 0.00 0.01 0.00 0.00 46.19 43.53 1j03 s LEU 73 CO 0.00 -0.31 1.02 1.07 1.01 0.00 0.00 176.35 179.14 1j03 n THR 74 N 4.97 0.00 -0.19 5.49 5.66 -1.26 -4.74 114.28 124.21 1j03 n THR 74 Ca -0.02 -1.17 -0.09 0.00 -3.05 0.00 0.00 64.05 59.72 1j03 n THR 74 Cb 0.49 -1.22 0.01 0.00 -1.55 0.00 0.00 70.33 68.07 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 0.94 -0.42 1.09 5.08 -1.97 1.84 114.58 121.14 1j03 h GLU 75 Ca -0.33 -0.29 0.09 0.00 -1.00 0.00 0.00 59.36 57.83 1j03 h GLU 75 Cb 1.07 -0.09 -0.09 0.00 0.50 0.00 0.00 28.75 30.14 1j03 h GLU 75 CO 0.30 0.94 -0.15 1.57 -1.00 0.00 0.00 179.01 180.66 1j03 h LYS 76 N 0.82 -0.06 0.18 2.33 2.10 -1.95 0.15 116.57 120.14 1j03 h LYS 76 Ca 0.16 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.56 1j03 h LYS 76 Cb 0.50 0.01 0.02 0.00 -0.90 0.00 0.00 32.23 31.87 1j03 h LYS 76 CO 0.02 -0.04 -1.14 1.05 -2.00 0.00 0.00 179.45 177.34 1j03 h GLU 77 N -0.06 0.38 -0.95 0.07 4.11 -1.73 -2.76 114.58 113.64 1j03 h GLU 77 Ca 0.21 -0.64 0.28 0.00 0.07 0.00 0.00 59.36 59.27 1j03 h GLU 77 Cb 0.37 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 1j03 h GLU 77 CO -0.47 1.31 0.82 0.82 0.07 0.00 0.00 179.01 181.56 1j03 h ILE 78 N -0.18 0.31 0.08 -1.06 1.08 0.33 8.99 117.51 127.05 1j03 h ILE 78 Ca -0.21 0.00 -0.25 0.00 -0.39 0.00 0.00 64.86 64.01 1j03 h ILE 78 Cb 1.85 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 35.98 1j03 h ILE 78 CO 0.18 0.00 -1.30 0.78 -0.69 0.00 0.00 178.15 177.12 1j03 h ASN 79 N 0.00 0.25 0.05 1.72 2.35 -0.73 -3.07 115.58 116.16 1j03 h ASN 79 Ca 0.45 -0.79 -0.13 0.00 -0.55 0.00 0.00 56.30 55.28 1j03 h ASN 79 Cb 2.08 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 40.38 1j03 h ASN 79 CO -0.00 1.55 -0.56 0.74 -1.65 0.00 0.00 177.43 177.51 1j03 h THR 80 N -0.51 1.52 0.35 2.81 2.02 0.19 -2.47 112.91 116.83 1j03 h THR 80 Ca -0.30 -2.25 -0.00 0.00 0.77 0.00 0.00 66.41 64.63 1j03 h THR 80 Cb 1.60 2.94 -0.03 0.00 -1.74 0.00 0.00 68.15 70.93 1j03 h THR 80 CO -0.01 0.63 -0.38 0.25 0.37 0.00 0.00 175.52 176.38 1j03 h LEU 81 N -0.37 -1.05 -0.51 2.58 7.12 1.89 3.40 115.31 128.37 1j03 h LEU 81 Ca -0.09 0.09 0.09 0.00 0.13 0.00 0.00 57.88 58.11 1j03 h LEU 81 Cb 1.35 0.36 -0.07 0.00 -0.53 0.00 0.00 40.66 41.77 1j03 h LEU 81 CO 0.11 -0.52 0.09 0.78 -0.13 0.00 0.00 178.44 178.76 1j03 h ASN 82 N -0.77 -0.03 -0.04 1.25 2.35 -1.56 0.67 115.58 117.47 1j03 h ASN 82 Ca -0.02 0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 1j03 h ASN 82 Cb 0.70 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.19 1j03 h ASN 82 CO -0.09 0.01 -0.26 -0.78 -1.65 0.00 0.00 177.43 174.67 1j03 h ASP 83 N 0.22 0.46 -0.70 5.81 3.58 -0.90 -2.12 116.42 122.77 1j03 h ASP 83 Ca 0.26 -0.16 -0.05 0.00 0.42 0.00 0.00 57.03 57.49 1j03 h ASP 83 Cb 0.35 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 1j03 h ASP 83 CO -0.35 0.72 0.23 -0.50 -2.88 0.00 0.00 179.24 176.47 1j03 h TRP 84 N 0.41 1.13 -0.50 0.28 -0.00 0.91 -0.28 115.95 117.90 1j03 h TRP 84 Ca 0.06 -0.10 -0.01 0.00 -0.00 0.00 0.00 58.89 58.83 1j03 h TRP 84 Cb 0.67 -0.33 -0.02 0.00 -0.00 0.00 0.00 29.16 29.48 1j03 h TRP 84 CO 0.02 0.89 0.26 1.49 -0.00 0.00 0.00 178.44 181.10 1j03 h GLU 85 N 1.06 0.71 -0.24 0.49 4.22 0.78 0.41 114.58 122.00 1j03 h GLU 85 Ca 0.23 -0.10 -0.06 0.00 0.08 0.00 0.00 59.36 59.52 1j03 h GLU 85 Cb 0.28 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1j03 h GLU 85 CO -0.01 0.58 -0.11 1.15 -2.18 0.00 0.00 179.01 178.44 1j03 h THR 86 N 0.67 1.21 -0.10 0.32 2.02 -0.92 1.34 112.91 117.44 1j03 h THR 86 Ca 0.17 -0.90 -0.14 0.00 0.77 0.00 0.00 66.41 66.32 1j03 h THR 86 Cb 0.09 1.14 0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1j03 h THR 86 CO -0.02 0.29 -0.48 0.11 0.37 0.00 0.00 175.52 175.78 1j03 h LYS 87 N 0.37 0.50 -0.18 6.66 1.57 -0.41 0.54 116.57 125.61 1j03 h LYS 87 Ca 0.07 -0.41 -0.17 0.00 -1.87 0.00 0.00 60.65 58.28 1j03 h LYS 87 Cb 0.42 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1j03 h LYS 87 CO 0.02 1.04 -0.55 0.74 -0.57 0.00 0.00 179.45 180.12 1j03 h PHE 88 N 0.08 0.91 0.00 -1.35 -1.00 0.11 -0.20 116.94 115.50 1j03 h PHE 88 Ca -0.03 -0.37 0.00 0.00 2.81 0.00 0.00 57.97 60.38 1j03 h PHE 88 Cb 1.13 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.53 1j03 h PHE 88 CO 0.12 1.16 0.00 1.05 -1.61 0.00 0.00 178.31 179.03 1j03 h GLU 89 N 0.40 0.00 0.00 1.51 -0.00 0.17 2.12 114.58 118.78 1j03 h GLU 89 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 1j03 h GLU 89 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.93 1j03 h GLU 89 CO 0.12 0.00 -0.96 0.00 -0.00 0.00 0.00 179.01 178.17 1j03 n ALA 90 N -2.06 3.38 -0.00 1.06 0.00 0.18 -4.59 120.51 118.48 1j03 n ALA 90 Ca 0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 53.44 53.05 1j03 n ALA 90 Cb 0.36 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.95 0.11 -2.49 0.00 5.02 -0.10 -5.02 118.16 113.72 1j03 n LYS 91 Ca 0.02 0.04 -0.40 0.00 -2.02 0.00 0.00 58.31 55.95 1j03 n LYS 91 Cb 0.43 -0.54 -0.04 0.00 -0.02 0.00 0.00 35.03 34.86 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 -1.66 3.58 0.15 2.13 2.02 0.71 -5.00 117.35 119.28 1j03 s TYR 92 Ca -0.06 1.71 -0.30 0.00 -0.37 0.00 0.00 57.07 58.05 1j03 s TYR 92 Cb 0.01 -3.26 -0.07 0.00 -0.40 0.00 0.00 41.96 38.24 1j03 s TYR 92 CO 0.09 -0.49 1.13 -1.25 -1.57 0.00 0.00 175.55 173.45 1j03 s PRO 93 N -1.50 4.55 -0.49 -1.71 0.04 -1.23 -4.26 135.00 130.39 1j03 s PRO 93 Ca 0.45 1.74 -0.22 0.00 0.04 0.00 0.00 61.00 63.01 1j03 s PRO 93 Cb -0.31 -3.29 0.04 0.00 0.04 0.00 0.00 34.50 30.98 1j03 s PRO 93 CO 0.40 -0.01 0.79 0.08 0.04 0.00 0.00 177.00 178.29 1j03 s VAL 94 N 0.06 4.63 -0.79 -0.36 1.01 -1.26 -0.03 120.40 123.66 1j03 s VAL 94 Ca 0.52 0.18 0.26 0.00 0.00 0.00 0.00 61.98 62.93 1j03 s VAL 94 Cb -0.30 -4.37 0.12 0.00 0.00 0.00 0.00 36.38 31.84 1j03 s VAL 94 CO 0.34 -0.84 1.54 1.33 0.00 0.00 0.00 175.10 177.47 1j03 n VAL 95 N 6.03 0.28 -0.21 2.92 0.24 -1.22 -5.00 118.33 121.36 1j03 n VAL 95 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1j03 n VAL 95 Cb 0.47 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 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 1.39 -2.61 3.47 7.63 0.00 -1.25 -3.89 105.19 109.94 1j03 n GLY 96 Ca 0.05 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.98 2.44 1.03 1.61 1.04 -1.26 -0.41 118.95 121.42 1j03 s ARG 97 Ca 0.00 -0.73 -0.18 0.00 -1.04 0.00 0.00 55.73 53.77 1j03 s ARG 97 Cb 0.00 -2.35 -0.02 0.00 -2.04 0.00 0.00 34.95 30.54 1j03 s ARG 97 CO 0.00 0.61 -0.33 0.28 -0.04 0.00 0.00 175.30 175.82 1j03 n VAL 98 N 2.20 0.00 0.00 4.99 0.31 0.64 -2.61 118.33 123.86 1j03 n VAL 98 Ca -0.17 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1j03 n VAL 98 Cb 0.52 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 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 -3.65 0.00 -0.68 2.52 0.24 -0.86 -4.67 118.33 111.23 1j03 n VAL 99 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1j03 n VAL 99 Cb 0.61 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 1j03 n VAL 99 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45