#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ljz s VAL 2 N 0.00 5.44 -0.01 7.28 1.01 -1.26 -2.45 120.40 130.40 1ljz s VAL 2 Ca 0.00 0.29 -0.08 0.00 0.00 0.00 0.00 61.98 62.19 1ljz s VAL 2 Cb 0.00 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.94 1ljz s VAL 2 CO 0.00 0.58 0.16 0.00 0.00 0.00 0.00 175.10 175.85 1ljz s HIS 4 N -1.05 2.76 -0.16 0.00 3.76 -1.26 -0.11 115.29 119.23 1ljz s HIS 4 Ca -0.11 -0.25 -0.31 0.00 -0.15 0.00 0.00 55.06 54.24 1ljz s HIS 4 Cb -0.06 -2.54 0.13 0.00 1.11 0.00 0.00 32.58 31.22 1ljz s HIS 4 CO 0.02 -0.66 1.07 -0.08 -0.85 0.00 0.00 174.74 174.24 1ljz s THR 5 N -2.55 0.00 -0.41 1.30 -1.32 0.67 -3.49 115.64 109.85 1ljz s THR 5 Ca 0.56 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 61.07 1ljz s THR 5 Cb -0.10 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.00 1ljz s THR 5 CO 0.36 0.00 0.14 0.42 -2.21 0.00 0.00 174.62 173.33 1ljz s THR 6 N -1.70 2.61 0.00 5.08 -4.23 -1.17 0.84 115.64 117.07 1ljz s THR 6 Ca 0.03 -2.53 0.00 0.00 -1.18 0.00 0.00 61.69 58.01 1ljz s THR 6 Cb -0.01 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 70.97 1ljz s THR 6 CO -0.03 -0.67 0.00 0.00 -0.54 0.00 0.00 174.62 173.38 1ljz n ALA 7 N 4.04 0.00 -1.00 3.99 0.00 -1.26 -4.79 120.51 121.48 1ljz n ALA 7 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1ljz n ALA 7 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1ljz n ALA 7 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ljz n THR 8 N -1.64 0.00 0.19 0.00 -2.24 -1.26 -4.94 114.28 104.39 1ljz n THR 8 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1ljz n THR 8 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 1ljz n THR 8 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1ljz h SER 9 N 0.00 -0.44 -3.21 3.42 0.02 -2.01 -3.46 113.55 107.88 1ljz h SER 9 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1ljz h SER 9 Cb 0.00 0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1ljz h SER 9 CO 0.00 -0.17 0.00 -0.81 -1.14 0.00 0.00 176.83 174.71 1ljz n PRO 10 N -4.16 1.79 -1.93 3.45 -0.04 -1.26 -5.03 135.00 127.82 1ljz n PRO 10 Ca -0.06 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.98 1ljz n PRO 10 Cb 0.20 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.64 1ljz n PRO 10 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ljz s ILE 11 N 1.20 2.50 0.20 0.52 1.09 -1.26 -4.47 121.20 120.98 1ljz s ILE 11 Ca 0.00 0.40 0.01 0.00 -1.10 0.00 0.00 60.65 59.96 1ljz s ILE 11 Cb 0.00 -3.26 -0.04 0.00 -1.06 0.00 0.00 42.46 38.10 1ljz s ILE 11 CO 0.00 0.05 0.38 -0.94 -0.10 0.00 0.00 174.94 174.33 1ljz s SER 12 N 0.61 6.36 -0.13 3.58 1.04 0.25 -4.92 113.70 120.48 1ljz s SER 12 Ca 0.63 0.32 -0.01 0.00 0.48 0.00 0.00 55.95 57.37 1ljz s SER 12 Cb -0.44 -1.97 0.03 0.00 0.10 0.00 0.00 66.02 63.74 1ljz s SER 12 CO 0.41 -0.04 -0.05 0.00 0.98 0.00 0.00 173.24 174.54 1ljz s ALA 13 N -1.89 1.25 0.03 5.32 0.00 -1.26 -0.24 121.76 124.98 1ljz s ALA 13 Ca 0.37 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 1ljz s ALA 13 Cb -0.11 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 1ljz s ALA 13 CO 0.29 -0.62 -0.03 0.14 0.00 0.00 0.00 175.76 175.55 1ljz s VAL 14 N 1.74 0.16 0.49 0.00 -7.23 0.84 -4.97 120.40 111.43 1ljz s VAL 14 Ca 0.03 -1.29 -0.17 0.00 -1.81 0.00 0.00 61.98 58.74 1ljz s VAL 14 Cb -0.14 -0.80 -0.08 0.00 0.56 0.00 0.00 36.38 35.92 1ljz s VAL 14 CO -0.07 -0.71 0.97 0.28 -0.31 0.00 0.00 175.10 175.25 1ljz s THR 15 N -2.51 4.51 0.19 5.32 -1.32 -1.26 -1.00 115.64 119.58 1ljz s THR 15 Ca -0.06 1.25 -0.11 0.00 -1.21 0.00 0.00 61.69 61.55 1ljz s THR 15 Cb -0.02 -3.70 -0.07 0.00 -1.51 0.00 0.00 72.50 67.20 1ljz s THR 15 CO -0.05 -0.61 0.54 0.00 -2.21 0.00 0.00 174.62 172.29 1ljz s PRO 17 N -2.44 0.73 0.29 0.00 0.04 -1.13 -4.24 135.00 128.25 1ljz s PRO 17 Ca 0.43 -0.00 0.02 0.00 0.04 0.00 0.00 61.00 61.49 1ljz s PRO 17 Cb -0.13 -1.82 0.59 0.00 0.04 0.00 0.00 34.50 33.18 1ljz s PRO 17 CO 0.20 -2.42 1.82 -1.00 0.04 0.00 0.00 177.00 175.65 1ljz h PRO 18 N -1.65 0.92 0.00 0.56 0.13 -2.01 -3.31 132.00 126.65 1ljz h PRO 18 Ca -0.47 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1ljz h PRO 18 Cb 1.30 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1ljz h PRO 18 CO 0.51 0.61 0.00 0.41 -0.23 0.00 0.00 178.00 179.30 1ljz n GLY 19 N -1.34 -0.61 3.58 1.56 0.00 -1.26 -4.55 105.19 102.57 1ljz n GLY 19 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1ljz n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ljz s GLU 20 N -0.43 3.35 0.00 1.61 2.02 -1.24 -4.82 118.70 119.19 1ljz s GLU 20 Ca 0.00 0.47 0.17 0.00 0.02 0.00 0.00 54.97 55.63 1ljz s GLU 20 Cb 0.00 -4.10 0.10 0.00 0.10 0.00 0.00 34.13 30.23 1ljz s GLU 20 CO 0.00 -1.88 0.99 0.09 0.02 0.00 0.00 175.26 174.48 1ljz n ASN 21 N 9.39 2.21 -1.71 -0.19 3.02 -1.18 -2.83 115.26 123.96 1ljz n ASN 21 Ca 0.12 -1.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.07 1ljz n ASN 21 Cb 0.49 0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 1ljz n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ljz n LEU 22 N 0.68 0.00 -3.78 3.41 -0.00 -0.97 -4.55 117.00 111.79 1ljz n LEU 22 Ca 0.09 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.84 1ljz n LEU 22 Cb 0.40 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.65 1ljz n LEU 22 CO 0.13 -0.26 -0.38 0.00 -0.00 0.00 0.00 177.39 176.88 1ljz s TYR 24 N 1.84 3.19 -0.61 0.00 1.13 0.11 -1.87 117.35 121.15 1ljz s TYR 24 Ca 0.01 1.55 0.04 0.00 -1.41 0.00 0.00 57.07 57.26 1ljz s TYR 24 Cb -0.15 -2.93 0.15 0.00 -1.10 0.00 0.00 41.96 37.93 1ljz s TYR 24 CO -0.07 -0.56 0.37 0.50 -2.51 0.00 0.00 175.55 173.28 1ljz s ARG 25 N -3.56 2.24 -0.06 -3.49 6.06 0.26 -2.67 118.95 117.73 1ljz s ARG 25 Ca 0.63 -2.90 -0.30 0.00 -2.50 0.00 0.00 55.73 50.66 1ljz s ARG 25 Cb -0.13 -3.41 -0.02 0.00 0.06 0.00 0.00 34.95 31.46 1ljz s ARG 25 CO 0.24 -1.18 1.00 0.15 -2.50 0.00 0.00 175.30 173.01 1ljz s LYS 26 N -0.74 4.48 -0.22 5.12 -0.14 -0.99 -2.55 119.74 124.70 1ljz s LYS 26 Ca 0.20 1.41 -0.23 0.00 -1.36 0.00 0.00 55.97 56.00 1ljz s LYS 26 Cb -0.17 -3.51 0.06 0.00 -1.68 0.00 0.00 37.83 32.53 1ljz s LYS 26 CO -0.07 -0.20 0.64 1.41 -0.76 0.00 0.00 175.35 176.37 1ljz s MET 27 N 1.58 0.77 0.00 1.68 1.75 0.43 -1.92 119.30 123.59 1ljz s MET 27 Ca 0.50 0.81 0.00 0.00 -1.25 0.00 0.00 55.69 55.75 1ljz s MET 27 Cb -0.20 0.38 0.00 0.00 2.84 0.00 0.00 34.83 37.85 1ljz s MET 27 CO 0.22 -0.11 0.00 -2.67 -0.65 0.00 0.00 175.02 171.81 1ljz n TRP 28 N 2.53 -0.02 -4.31 4.11 2.14 -1.06 0.13 117.44 120.97 1ljz n TRP 28 Ca -0.14 0.00 -0.32 0.00 2.07 0.00 0.00 57.50 59.11 1ljz n TRP 28 Cb 0.56 0.00 -0.16 0.00 -0.81 0.00 0.00 31.31 30.89 1ljz n TRP 28 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1ljz s ASP 30 N 1.15 3.56 0.00 0.00 2.15 -0.82 -4.73 116.67 117.97 1ljz s ASP 30 Ca -0.00 -2.24 0.00 0.00 0.43 0.00 0.00 52.55 50.74 1ljz s ASP 30 Cb -0.14 -0.81 0.00 0.00 -0.30 0.00 0.00 42.92 41.67 1ljz s ASP 30 CO -0.08 -0.32 0.00 0.00 -0.17 0.00 0.00 175.17 174.60 1ljz n ALA 31 N 4.03 0.00 0.20 3.66 0.00 -1.19 -2.77 120.51 124.43 1ljz n ALA 31 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.54 1ljz n ALA 31 Cb 0.37 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.22 1ljz n ALA 31 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1ljz h PHE 32 N 0.00 0.00 -0.19 0.00 3.57 -1.53 19.66 116.94 138.44 1ljz h PHE 32 Ca 0.00 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.29 1ljz h PHE 32 Cb 0.00 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.75 1ljz h PHE 32 CO 0.00 0.33 -0.70 0.00 -2.23 0.00 0.00 178.31 175.71 1ljz n SER 34 N -3.97 0.00 0.06 0.00 2.88 0.42 -5.06 113.62 107.95 1ljz n SER 34 Ca -0.07 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1ljz n SER 34 Cb 0.71 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1ljz n SER 34 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ljz n SER 35 N -1.63 -0.19 0.00 -3.46 3.41 5.99 -4.98 113.62 112.76 1ljz n SER 35 Ca 0.00 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1ljz n SER 35 Cb 0.00 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1ljz n SER 35 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1ljz n ARG 36 N -2.85 0.00 -3.83 4.33 0.63 0.32 -4.52 116.66 110.74 1ljz n ARG 36 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 1ljz n ARG 36 Cb 0.00 -0.24 0.01 0.00 0.45 0.00 0.00 32.46 32.68 1ljz n ARG 36 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1ljz s GLY 37 N -0.03 0.20 0.99 5.14 0.00 -1.11 -4.07 107.32 108.44 1ljz s GLY 37 Ca 0.00 -0.55 -0.14 0.00 0.00 0.00 0.00 44.72 44.03 1ljz s GLY 37 CO 0.00 0.12 1.14 0.54 0.00 0.00 0.00 173.10 174.90 1ljz s LYS 38 N -2.69 0.48 0.02 2.90 1.02 -1.26 -1.93 119.74 118.28 1ljz s LYS 38 Ca 0.15 0.22 0.03 0.00 0.02 0.00 0.00 55.97 56.39 1ljz s LYS 38 Cb -0.05 -1.77 -0.04 0.00 -0.52 0.00 0.00 37.83 35.46 1ljz s LYS 38 CO 0.09 -2.63 -0.03 0.08 -0.92 0.00 0.00 175.35 171.94 1ljz s VAL 39 N -3.20 3.93 -0.04 3.17 1.01 0.76 -4.56 120.40 121.47 1ljz s VAL 39 Ca 0.66 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 1ljz s VAL 39 Cb -0.14 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.51 1ljz s VAL 39 CO 0.55 0.33 0.05 -0.69 0.00 0.00 0.00 175.10 175.34 1ljz s VAL 40 N -1.10 -0.10 -0.24 2.92 1.01 -1.26 -2.57 120.40 119.07 1ljz s VAL 40 Ca 0.20 0.35 -0.04 0.00 0.00 0.00 0.00 61.98 62.49 1ljz s VAL 40 Cb -0.11 -0.13 0.09 0.00 0.00 0.00 0.00 36.38 36.23 1ljz s VAL 40 CO 0.11 0.15 0.16 -1.83 0.00 0.00 0.00 175.10 173.68 1ljz s GLU 41 N 1.79 0.17 0.10 2.72 -1.05 -0.81 -4.96 118.70 116.67 1ljz s GLU 41 Ca -0.00 -0.20 -0.05 0.00 -0.15 0.00 0.00 54.97 54.57 1ljz s GLU 41 Cb -0.12 -1.29 -0.05 0.00 -0.44 0.00 0.00 34.13 32.22 1ljz s GLU 41 CO -0.03 -0.85 0.34 -0.51 0.95 0.00 0.00 175.26 175.16 1ljz s LEU 42 N 2.19 4.31 0.00 1.83 1.43 -1.26 -2.35 118.68 124.83 1ljz s LEU 42 Ca 0.07 0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 1ljz s LEU 42 Cb -0.16 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 42.95 1ljz s LEU 42 CO -0.23 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.07 1ljz n GLY 43 N 0.40 1.40 3.63 -3.19 0.00 -1.09 -3.02 105.19 103.33 1ljz n GLY 43 Ca -0.05 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 1ljz n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ljz s ALA 45 N 0.11 2.21 -0.02 0.00 0.00 -0.95 -4.71 121.76 118.40 1ljz s ALA 45 Ca 0.04 -1.68 0.01 0.00 0.00 0.00 0.00 51.96 50.33 1ljz s ALA 45 Cb -0.13 1.03 -0.02 0.00 0.00 0.00 0.00 23.12 24.00 1ljz s ALA 45 CO 0.01 -0.46 0.01 0.00 0.00 0.00 0.00 175.76 175.32 1ljz n ALA 46 N -0.67 1.96 -2.67 0.00 0.00 -1.26 -2.28 120.51 115.60 1ljz n ALA 46 Ca -0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.28 1ljz n ALA 46 Cb 0.65 0.21 0.04 0.00 0.00 0.00 0.00 19.45 20.35 1ljz n ALA 46 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1ljz n THR 47 N -2.05 0.00 -1.57 0.00 5.66 -1.26 -4.90 114.28 110.16 1ljz n THR 47 Ca -0.03 -0.95 -0.51 0.00 -3.05 0.00 0.00 64.05 59.51 1ljz n THR 47 Cb 0.54 0.75 -0.05 0.00 -1.55 0.00 0.00 70.33 70.02 1ljz n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ljz s PRO 49 N 0.04 4.15 -0.03 0.00 0.04 -1.26 -4.64 135.00 133.30 1ljz s PRO 49 Ca 0.80 0.52 -0.37 0.00 0.04 0.00 0.00 61.00 61.98 1ljz s PRO 49 Cb -0.94 -3.61 -0.16 0.00 0.04 0.00 0.00 34.50 29.83 1ljz s PRO 49 CO 0.50 -0.31 1.51 0.43 0.04 0.00 0.00 177.00 179.18 1ljz n SER 50 N 5.32 2.09 -3.64 6.66 7.64 -1.25 -4.81 113.62 125.62 1ljz n SER 50 Ca -0.02 1.09 -0.15 0.00 1.01 0.00 0.00 58.87 60.80 1ljz n SER 50 Cb 0.50 -1.21 0.08 0.00 -1.01 0.00 0.00 64.21 62.57 1ljz n SER 50 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1ljz n LYS 51 N 3.68 0.07 -1.00 1.43 2.85 -1.24 -4.99 118.16 118.96 1ljz n LYS 51 Ca 0.21 -1.76 -0.36 0.00 -1.05 0.00 0.00 58.31 55.36 1ljz n LYS 51 Cb 0.19 -0.47 0.04 0.00 -0.65 0.00 0.00 35.03 34.14 1ljz n LYS 51 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1ljz n LYS 52 N -2.25 0.00 0.13 -1.58 2.85 -1.25 -4.59 118.16 111.46 1ljz n LYS 52 Ca 0.11 0.00 0.19 0.00 -1.05 0.00 0.00 58.31 57.56 1ljz n LYS 52 Cb 0.39 -0.98 0.72 0.00 -0.65 0.00 0.00 35.03 34.51 1ljz n LYS 52 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 1ljz h PRO 53 N -0.88 0.00 0.00 -1.58 0.13 -2.03 0.23 132.00 127.87 1ljz h PRO 53 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1ljz h PRO 53 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1ljz h PRO 53 CO 0.24 0.00 -1.00 2.48 -0.23 0.00 0.00 178.00 179.49 1ljz n TYR 54 N -3.46 0.00 -3.84 1.56 4.11 -1.26 -4.85 117.16 109.42 1ljz n TYR 54 Ca 0.06 0.00 -0.36 0.00 -0.00 0.00 0.00 57.90 57.60 1ljz n TYR 54 Cb 0.64 -0.01 -0.13 0.00 -0.00 0.00 0.00 39.34 39.85 1ljz n TYR 54 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1ljz s GLU 55 N -2.99 3.27 -0.16 -3.48 2.02 0.80 -4.57 118.70 113.60 1ljz s GLU 55 Ca 0.08 -0.72 -0.13 0.00 0.02 0.00 0.00 54.97 54.22 1ljz s GLU 55 Cb 0.16 -3.19 -0.05 0.00 0.10 0.00 0.00 34.13 31.16 1ljz s GLU 55 CO 0.86 -0.30 0.28 -2.00 0.02 0.00 0.00 175.26 174.12 1ljz s GLU 56 N 1.49 4.22 -0.44 1.61 2.56 0.36 -3.62 118.70 124.88 1ljz s GLU 56 Ca 0.04 0.08 0.06 0.00 0.00 0.00 0.00 54.97 55.15 1ljz s GLU 56 Cb -0.16 -3.41 0.20 0.00 2.00 0.00 0.00 34.13 32.76 1ljz s GLU 56 CO -0.00 0.27 0.53 1.55 -0.56 0.00 0.00 175.26 177.04 1ljz n VAL 57 N 3.49 -0.71 -3.64 3.70 3.14 -1.10 0.16 118.33 123.37 1ljz n VAL 57 Ca -0.12 -2.83 -0.37 0.00 -2.96 0.00 0.00 64.34 58.05 1ljz n VAL 57 Cb 0.52 -0.81 -0.06 0.00 -1.06 0.00 0.00 33.84 32.43 1ljz n VAL 57 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1ljz s THR 58 N 0.01 5.24 -0.16 1.55 2.01 -1.06 -3.95 115.64 119.29 1ljz s THR 58 Ca 0.33 0.57 -0.08 0.00 0.31 0.00 0.00 61.69 62.81 1ljz s THR 58 Cb 0.08 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1ljz s THR 58 CO -0.15 0.56 0.13 0.00 -0.69 0.00 0.00 174.62 174.47 1ljz n SER 61 N 5.31 7.07 -3.85 0.00 3.41 -1.26 0.14 113.62 124.43 1ljz n SER 61 Ca -0.04 -3.45 -0.12 0.00 -0.26 0.00 0.00 58.87 55.00 1ljz n SER 61 Cb 0.50 -1.27 -0.13 0.00 -0.26 0.00 0.00 64.21 63.06 1ljz n SER 61 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ljz s THR 62 N -2.83 0.01 -0.50 6.66 -4.23 -1.26 -4.92 115.64 108.58 1ljz s THR 62 Ca 0.40 -0.12 -0.46 0.00 -1.18 0.00 0.00 61.69 60.34 1ljz s THR 62 Cb 0.15 -0.17 -0.20 0.00 1.34 0.00 0.00 72.50 73.62 1ljz s THR 62 CO -0.05 -0.06 1.70 0.47 -0.54 0.00 0.00 174.62 176.13 1ljz n ASP 63 N 2.80 1.11 -3.99 3.99 8.00 -1.26 -0.67 116.55 126.53 1ljz n ASP 63 Ca -0.14 1.08 -0.33 0.00 0.71 0.00 0.00 54.79 56.11 1ljz n ASP 63 Cb 0.59 -0.88 -0.01 0.00 -0.02 0.00 0.00 41.12 40.80 1ljz n ASP 63 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1ljz n LYS 64 N 4.68 -1.65 0.00 -1.24 3.00 0.36 -4.86 118.16 118.45 1ljz n LYS 64 Ca 0.36 0.28 0.12 0.00 -0.00 0.00 0.00 58.31 59.07 1ljz n LYS 64 Cb -0.06 -3.79 0.30 0.00 0.00 0.00 0.00 35.03 31.48 1ljz n LYS 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ljz n ASN 66 N -0.93 4.89 -1.75 0.00 6.94 -1.26 -4.97 115.26 118.19 1ljz n ASN 66 Ca 0.10 -3.33 0.00 0.00 -0.02 0.00 0.00 54.58 51.33 1ljz n ASN 66 Cb 0.35 -1.02 0.00 0.00 -2.36 0.00 0.00 39.78 36.75 1ljz n ASN 66 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1ljz n PRO 67 N 1.50 1.10 -3.47 -0.53 -0.04 -1.26 -4.44 135.00 127.87 1ljz n PRO 67 Ca 0.26 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.36 1ljz n PRO 67 Cb 0.37 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.77 1ljz n PRO 67 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1ljz s HIS 68 N 0.52 3.63 -0.00 0.54 3.76 -1.22 -5.01 115.29 117.52 1ljz s HIS 68 Ca 0.00 0.95 -0.00 0.00 -0.15 0.00 0.00 55.06 55.86 1ljz s HIS 68 Cb 0.00 -2.27 -0.00 0.00 1.11 0.00 0.00 32.58 31.41 1ljz s HIS 68 CO 0.00 0.52 0.56 -1.35 -0.85 0.00 0.00 174.74 173.62 1ljz h PRO 69 N 3.91 -0.01 -0.08 8.40 0.11 -2.02 -3.35 132.00 138.96 1ljz h PRO 69 Ca -0.49 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 1ljz h PRO 69 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1ljz h PRO 69 CO 0.65 -0.01 -0.47 -0.22 -0.21 0.00 0.00 178.00 177.74 1ljz h LYS 70 N -0.02 0.19 -5.34 1.05 3.64 -2.04 -3.42 116.57 110.62 1ljz h LYS 70 Ca -0.00 -0.10 -0.60 0.00 -1.27 0.00 0.00 60.65 58.68 1ljz h LYS 70 Cb 0.01 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 31.72 1ljz h LYS 70 CO 0.00 0.62 -0.35 -0.65 -2.27 0.00 0.00 179.45 176.81 1ljz s GLN 71 N -4.00 4.18 0.27 1.90 -0.21 -1.26 -4.83 119.66 115.70 1ljz s GLN 71 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 55.36 55.34 1ljz s GLN 71 Cb 0.13 -3.49 0.00 0.00 1.00 0.00 0.00 33.01 30.65 1ljz s GLN 71 CO 0.77 0.11 0.00 2.89 -2.12 0.00 0.00 175.29 176.94 1ljz n ARG 72 N 4.05 0.00 0.00 2.91 1.85 -1.26 -3.44 116.66 120.77 1ljz n ARG 72 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.73 1ljz n ARG 72 Cb 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 1ljz n ARG 72 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1ljz n PRO 73 N -3.03 0.00 0.00 2.89 -0.04 -1.26 -5.07 135.00 128.48 1ljz n PRO 73 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ljz n PRO 73 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1ljz n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87