#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1haj s VAL 2 N 0.00 2.08 0.19 9.51 1.01 -1.26 -1.60 120.40 130.33 1haj s VAL 2 Ca 0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 61.98 60.74 1haj s VAL 2 Cb 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1haj s VAL 2 CO 0.00 0.48 0.10 0.00 0.00 0.00 0.00 175.10 175.68 1haj s HIS 4 N -4.05 3.56 0.17 0.00 3.76 -1.26 -1.91 115.29 115.56 1haj s HIS 4 Ca 0.34 0.70 0.09 0.00 -0.15 0.00 0.00 55.06 56.04 1haj s HIS 4 Cb 0.07 -2.26 -0.04 0.00 1.11 0.00 0.00 32.58 31.46 1haj s HIS 4 CO 0.09 0.44 -0.19 -0.08 -0.85 0.00 0.00 174.74 174.15 1haj s THR 5 N -0.22 1.92 -0.06 1.30 -1.32 0.19 -1.15 115.64 116.30 1haj s THR 5 Ca 0.18 -1.93 0.08 0.00 -1.21 0.00 0.00 61.69 58.82 1haj s THR 5 Cb -0.14 -1.89 0.13 0.00 -1.51 0.00 0.00 72.50 69.09 1haj s THR 5 CO 0.07 -0.27 1.04 0.35 -2.21 0.00 0.00 174.62 173.60 1haj n THR 6 N 0.30 0.87 0.12 5.08 -2.24 -0.95 -2.40 114.28 115.06 1haj n THR 6 Ca -0.13 -1.03 -0.02 0.00 -2.27 0.00 0.00 64.05 60.60 1haj n THR 6 Cb 0.57 0.20 0.09 0.00 -2.10 0.00 0.00 70.33 69.09 1haj n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1haj h ALA 7 N 0.00 0.75 -3.51 6.98 0.00 -1.91 -3.46 119.26 118.11 1haj h ALA 7 Ca 0.00 -0.63 -0.18 0.00 0.00 0.00 0.00 54.91 54.10 1haj h ALA 7 Cb 1.17 -0.11 0.07 0.00 0.00 0.00 0.00 17.79 18.91 1haj h ALA 7 CO 0.00 0.86 0.16 0.25 0.00 0.00 0.00 179.25 180.52 1haj n THR 8 N -3.55 0.00 0.17 0.00 -2.24 -1.26 -5.03 114.28 102.37 1haj n THR 8 Ca -0.00 -0.45 -0.07 0.00 -2.27 0.00 0.00 64.05 61.26 1haj n THR 8 Cb 0.72 -1.71 -0.03 0.00 -2.10 0.00 0.00 70.33 67.20 1haj n THR 8 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1haj h SER 9 N -0.67 -0.40 -3.44 3.42 0.87 -1.99 -3.44 113.55 107.92 1haj h SER 9 Ca -0.17 0.01 -0.54 0.00 -1.23 0.00 0.00 61.79 59.86 1haj h SER 9 Cb 0.50 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.53 1haj h SER 9 CO 0.13 -0.14 -0.00 -2.16 -0.53 0.00 0.00 176.83 174.13 1haj s PRO 10 N -3.27 4.08 0.06 2.24 0.05 -1.26 -5.04 135.00 131.86 1haj s PRO 10 Ca -0.07 0.64 -0.30 0.00 0.05 0.00 0.00 61.00 61.32 1haj s PRO 10 Cb 0.01 -2.88 -0.05 0.00 0.05 0.00 0.00 34.50 31.63 1haj s PRO 10 CO 0.21 0.43 1.05 0.96 0.05 0.00 0.00 177.00 179.69 1haj s ILE 11 N -1.52 4.45 0.35 0.56 -4.36 -1.26 -4.90 121.20 114.51 1haj s ILE 11 Ca 0.41 1.85 -0.01 0.00 -0.26 0.00 0.00 60.65 62.63 1haj s ILE 11 Cb -0.15 -4.18 0.00 0.00 1.25 0.00 0.00 42.46 39.37 1haj s ILE 11 CO 0.20 0.20 0.47 -0.94 0.24 0.00 0.00 174.94 175.11 1haj s SER 12 N 0.66 1.03 0.02 4.36 1.04 -1.01 -4.99 113.70 114.80 1haj s SER 12 Ca 0.52 -1.53 0.01 0.00 0.48 0.00 0.00 55.95 55.44 1haj s SER 12 Cb -0.25 0.67 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 1haj s SER 12 CO 0.30 -1.30 -0.05 0.00 0.98 0.00 0.00 173.24 173.16 1haj s ALA 13 N -3.01 0.38 0.28 5.32 0.00 -1.26 0.57 121.76 124.05 1haj s ALA 13 Ca 0.31 -0.45 -0.00 0.00 0.00 0.00 0.00 51.96 51.82 1haj s ALA 13 Cb -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1haj s ALA 13 CO 0.21 0.01 0.36 1.55 0.00 0.00 0.00 175.76 177.89 1haj n VAL 14 N 2.22 0.00 -2.90 0.00 3.14 -0.80 -4.90 118.33 115.08 1haj n VAL 14 Ca -0.18 -1.53 -0.43 0.00 -2.96 0.00 0.00 64.34 59.24 1haj n VAL 14 Cb 0.57 0.90 -0.04 0.00 -1.06 0.00 0.00 33.84 34.20 1haj n VAL 14 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1haj s THR 15 N -2.80 4.44 0.35 1.55 2.01 -1.26 -1.50 115.64 118.42 1haj s THR 15 Ca 0.25 -0.22 -0.28 0.00 0.31 0.00 0.00 61.69 61.75 1haj s THR 15 Cb -0.00 -4.58 -0.11 0.00 0.01 0.00 0.00 72.50 67.82 1haj s THR 15 CO 0.18 -1.25 1.39 0.00 -0.69 0.00 0.00 174.62 174.24 1haj s PRO 17 N -1.89 -1.45 0.60 0.00 0.04 -1.26 -4.50 135.00 126.54 1haj s PRO 17 Ca 0.51 0.22 0.29 0.00 0.04 0.00 0.00 61.00 62.06 1haj s PRO 17 Cb -0.43 -1.54 1.19 0.00 0.04 0.00 0.00 34.50 33.76 1haj s PRO 17 CO 0.57 -3.92 1.54 -1.00 0.04 0.00 0.00 177.00 174.23 1haj h PRO 18 N -2.74 0.00 0.08 0.56 0.13 -2.01 -0.61 132.00 127.42 1haj h PRO 18 Ca -0.49 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1haj h PRO 18 Cb 1.32 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.43 1haj h PRO 18 CO 0.39 0.00 -0.18 0.78 -0.23 0.00 0.00 178.00 178.76 1haj h GLY 19 N 0.00 -0.31 -5.02 1.56 0.00 -2.01 -3.42 103.07 93.87 1haj h GLY 19 Ca 0.43 0.21 -0.69 0.00 0.00 0.00 0.00 47.33 47.28 1haj h GLY 19 CO -0.00 -0.17 -0.80 -0.54 0.00 0.00 0.00 176.54 175.02 1haj s GLU 20 N -6.12 2.63 0.00 4.80 8.01 -0.24 -4.31 118.70 123.49 1haj s GLU 20 Ca -0.15 -0.76 0.00 0.00 0.01 0.00 0.00 54.97 54.08 1haj s GLU 20 Cb 0.08 -2.35 0.00 0.00 -4.31 0.00 0.00 34.13 27.55 1haj s GLU 20 CO 0.66 0.50 0.00 0.09 0.01 0.00 0.00 175.26 176.52 1haj n ASN 21 N 2.66 2.96 -4.77 -0.19 4.13 -1.13 -4.28 115.26 114.64 1haj n ASN 21 Ca -0.17 -0.07 -0.22 0.00 1.68 0.00 0.00 54.58 55.80 1haj n ASN 21 Cb 0.52 0.73 -0.05 0.00 -1.54 0.00 0.00 39.78 39.43 1haj n ASN 21 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1haj s LEU 22 N -2.04 3.50 0.27 3.41 1.43 0.16 -4.80 118.68 120.61 1haj s LEU 22 Ca 0.00 -0.51 0.07 0.00 -1.03 0.00 0.00 54.13 52.66 1haj s LEU 22 Cb 0.00 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1haj s LEU 22 CO 0.00 -0.16 0.26 0.00 0.23 0.00 0.00 176.35 176.68 1haj s TYR 24 N -2.15 -0.38 -0.17 0.00 -0.85 -0.03 -2.18 117.35 111.59 1haj s TYR 24 Ca 0.36 0.84 -0.03 0.00 -0.52 0.00 0.00 57.07 57.72 1haj s TYR 24 Cb -0.08 0.15 0.05 0.00 0.38 0.00 0.00 41.96 42.47 1haj s TYR 24 CO 0.26 -0.29 0.04 0.50 -1.52 0.00 0.00 175.55 174.54 1haj s ARG 25 N -0.33 0.53 0.19 -3.49 3.52 -0.80 -2.25 118.95 116.32 1haj s ARG 25 Ca -0.05 -0.26 -0.13 0.00 -0.13 0.00 0.00 55.73 55.16 1haj s ARG 25 Cb -0.03 -1.84 -0.07 0.00 -1.56 0.00 0.00 34.95 31.45 1haj s ARG 25 CO 0.02 -0.58 0.58 0.21 -0.81 0.00 0.00 175.30 174.72 1haj s LYS 26 N 1.93 3.95 -0.11 5.12 2.36 -0.92 -1.21 119.74 130.86 1haj s LYS 26 Ca 0.01 0.47 -0.07 0.00 -2.55 0.00 0.00 55.97 53.82 1haj s LYS 26 Cb -0.16 -2.80 0.04 0.00 -1.05 0.00 0.00 37.83 33.86 1haj s LYS 26 CO -0.08 0.40 0.27 -1.64 1.55 0.00 0.00 175.35 175.85 1haj s MET 27 N -2.30 0.26 -0.30 4.03 -1.94 0.91 -0.86 119.30 119.10 1haj s MET 27 Ca 0.42 0.52 -0.15 0.00 -1.71 0.00 0.00 55.69 54.77 1haj s MET 27 Cb -0.14 -0.03 0.17 0.00 2.01 0.00 0.00 34.83 36.84 1haj s MET 27 CO 0.20 -0.13 1.01 1.67 -0.01 0.00 0.00 175.02 177.76 1haj s TRP 28 N 0.94 -0.62 -0.25 -0.03 1.48 -1.09 -2.66 118.94 116.72 1haj s TRP 28 Ca -0.07 1.10 -0.33 0.00 -1.06 0.00 0.00 56.10 55.74 1haj s TRP 28 Cb -0.08 0.37 -0.10 0.00 -1.16 0.00 0.00 33.47 32.51 1haj s TRP 28 CO -0.06 -0.31 2.10 0.00 -4.06 0.00 0.00 176.95 174.62 1haj s ASP 30 N 6.60 6.61 0.00 0.00 1.47 0.34 -4.62 116.67 127.07 1haj s ASP 30 Ca 1.03 2.12 0.00 0.00 1.18 0.00 0.00 52.55 56.88 1haj s ASP 30 Cb -0.70 -2.59 0.00 0.00 -0.34 0.00 0.00 42.92 39.29 1haj s ASP 30 CO 0.47 -0.60 0.00 0.00 0.68 0.00 0.00 175.17 175.72 1haj n ALA 31 N -0.15 0.00 -1.57 2.11 0.00 -1.26 -1.79 120.51 117.84 1haj n ALA 31 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.48 1haj n ALA 31 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 1haj n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1haj n PHE 32 N 1.83 0.00 -0.13 0.00 3.72 -1.26 -4.90 117.46 116.72 1haj n PHE 32 Ca 0.00 -0.12 0.24 0.00 -0.05 0.00 0.00 57.45 57.52 1haj n PHE 32 Cb 0.00 0.29 0.40 0.00 -0.94 0.00 0.00 39.48 39.23 1haj n PHE 32 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1haj h SER 34 N 0.00 -0.01 0.00 0.00 0.87 -1.94 -3.40 113.55 109.07 1haj h SER 34 Ca 0.42 -0.80 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1haj h SER 34 Cb 2.72 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.68 1haj h SER 34 CO -0.00 0.81 0.00 -0.24 -0.53 0.00 0.00 176.83 176.87 1haj n SER 35 N -4.70 0.00 0.00 6.23 2.88 0.33 -4.91 113.62 113.45 1haj n SER 35 Ca -0.09 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1haj n SER 35 Cb 0.39 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 1haj n SER 35 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1haj n ARG 36 N -1.94 0.00 0.00 -1.46 1.74 0.97 -4.98 116.66 110.99 1haj n ARG 36 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1haj n ARG 36 Cb 0.00 -0.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.83 1haj n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1haj n GLY 37 N 1.07 -0.21 3.30 -0.13 0.00 0.45 -4.69 105.19 104.98 1haj n GLY 37 Ca 0.00 -1.23 -0.53 0.00 0.00 0.00 0.00 46.02 44.26 1haj n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1haj n LYS 38 N 1.51 0.00 -2.24 1.61 4.01 -1.25 0.13 118.16 121.93 1haj n LYS 38 Ca 0.00 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.38 1haj n LYS 38 Cb 0.00 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 33.00 1haj n LYS 38 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1haj s VAL 39 N 6.92 3.50 -0.25 -0.18 1.01 0.34 -4.59 120.40 127.15 1haj s VAL 39 Ca 1.24 1.08 -0.10 0.00 0.00 0.00 0.00 61.98 64.20 1haj s VAL 39 Cb -1.41 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 31.23 1haj s VAL 39 CO 0.60 0.09 0.15 -0.69 0.00 0.00 0.00 175.10 175.25 1haj s VAL 40 N 1.06 5.22 0.24 2.92 1.01 -1.25 -2.66 120.40 126.94 1haj s VAL 40 Ca 0.63 0.13 0.11 0.00 0.00 0.00 0.00 61.98 62.85 1haj s VAL 40 Cb -0.35 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1haj s VAL 40 CO 0.30 0.33 -0.15 -0.70 0.00 0.00 0.00 175.10 174.88 1haj s GLU 41 N 1.22 1.84 -0.07 2.72 2.56 -0.04 -4.93 118.70 121.99 1haj s GLU 41 Ca 0.07 -1.57 -0.07 0.00 0.00 0.00 0.00 54.97 53.41 1haj s GLU 41 Cb -0.14 -1.93 0.02 0.00 2.00 0.00 0.00 34.13 34.08 1haj s GLU 41 CO 0.06 0.37 0.19 -0.51 -0.56 0.00 0.00 175.26 174.81 1haj s LEU 42 N -3.27 1.25 0.00 2.70 1.02 -1.26 -2.16 118.68 116.96 1haj s LEU 42 Ca 0.28 0.39 0.00 0.00 0.02 0.00 0.00 54.13 54.81 1haj s LEU 42 Cb -0.06 0.66 0.00 0.00 0.02 0.00 0.00 46.19 46.80 1haj s LEU 42 CO 0.15 -0.07 0.00 0.61 0.02 0.00 0.00 176.35 177.06 1haj n GLY 43 N 3.00 0.83 3.90 -3.19 0.00 -0.30 -2.23 105.19 107.20 1haj n GLY 43 Ca -0.13 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 1haj n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1haj s ALA 45 N -1.74 -0.41 0.03 0.00 0.00 0.14 -4.88 121.76 114.89 1haj s ALA 45 Ca 0.42 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.30 1haj s ALA 45 Cb -0.12 0.18 -0.24 0.00 0.00 0.00 0.00 23.12 22.95 1haj s ALA 45 CO 0.25 -0.29 0.93 0.00 0.00 0.00 0.00 175.76 176.65 1haj h ALA 46 N 3.82 0.45 -3.22 0.00 0.00 -1.83 0.47 119.26 118.95 1haj h ALA 46 Ca -0.31 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.44 1haj h ALA 46 Cb 1.19 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1haj h ALA 46 CO 0.44 1.31 0.00 0.25 0.00 0.00 0.00 179.25 181.25 1haj n THR 47 N -3.30 0.00 -3.30 0.00 -2.24 -1.26 -4.65 114.28 99.53 1haj n THR 47 Ca -0.11 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.41 1haj n THR 47 Cb 1.01 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.17 1haj n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1haj s PRO 49 N -2.31 1.80 -0.29 0.00 0.04 -1.26 -5.05 135.00 127.94 1haj s PRO 49 Ca 0.40 -0.68 -0.18 0.00 0.04 0.00 0.00 61.00 60.58 1haj s PRO 49 Cb 0.18 -2.23 0.15 0.00 0.04 0.00 0.00 34.50 32.64 1haj s PRO 49 CO -0.05 -1.43 1.03 -1.12 0.04 0.00 0.00 177.00 175.47 1haj s SER 50 N -4.65 -0.45 -0.40 6.66 0.01 -1.26 -4.91 113.70 108.71 1haj s SER 50 Ca 0.64 0.75 -0.00 0.00 1.31 0.00 0.00 55.95 58.65 1haj s SER 50 Cb -0.08 1.07 0.24 0.00 0.21 0.00 0.00 66.02 67.46 1haj s SER 50 CO 0.45 -0.12 1.04 0.29 0.41 0.00 0.00 173.24 175.31 1haj n LYS 51 N 3.23 0.33 -3.64 12.44 4.76 -1.26 -5.17 118.16 128.85 1haj n LYS 51 Ca -0.17 -1.16 -0.10 0.00 -2.87 0.00 0.00 58.31 54.01 1haj n LYS 51 Cb 0.57 -0.60 -0.05 0.00 -1.84 0.00 0.00 35.03 33.11 1haj n LYS 51 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1haj s LYS 52 N 0.60 1.05 0.13 1.97 -0.14 -1.26 -5.08 119.74 117.01 1haj s LYS 52 Ca 0.27 -0.70 -0.29 0.00 -1.36 0.00 0.00 55.97 53.89 1haj s LYS 52 Cb 0.16 0.46 -0.08 0.00 -1.68 0.00 0.00 37.83 36.68 1haj s LYS 52 CO -0.12 -0.41 1.49 -1.35 -0.76 0.00 0.00 175.35 174.21 1haj h PRO 53 N 2.41 -0.20 -1.40 -1.68 0.11 -2.07 -3.38 132.00 125.80 1haj h PRO 53 Ca -0.34 0.01 -0.24 0.00 0.11 0.00 0.00 66.00 65.54 1haj h PRO 53 Cb 1.25 0.04 -0.23 0.00 0.11 0.00 0.00 31.00 32.18 1haj h PRO 53 CO 0.47 -0.13 -0.60 0.71 -0.21 0.00 0.00 178.00 178.24 1haj s TYR 54 N -5.34 -0.97 -0.38 0.65 1.51 -1.26 -5.08 117.35 106.50 1haj s TYR 54 Ca -0.12 -0.71 0.04 0.00 -1.01 0.00 0.00 57.07 55.27 1haj s TYR 54 Cb 0.09 -0.01 0.16 0.00 -0.11 0.00 0.00 41.96 42.08 1haj s TYR 54 CO 0.56 -1.13 0.42 -1.21 -1.11 0.00 0.00 175.55 173.08 1haj s GLU 55 N 1.07 0.67 -0.05 -0.62 2.02 -1.26 -4.74 118.70 115.79 1haj s GLU 55 Ca 0.25 -0.76 -0.25 0.00 0.02 0.00 0.00 54.97 54.23 1haj s GLU 55 Cb -0.03 -0.59 -0.04 0.00 0.10 0.00 0.00 34.13 33.57 1haj s GLU 55 CO -0.07 -1.19 0.78 -1.21 0.02 0.00 0.00 175.26 173.58 1haj s GLU 56 N 1.51 4.47 -0.14 1.61 2.02 -1.09 -4.86 118.70 122.22 1haj s GLU 56 Ca 0.17 1.03 0.01 0.00 0.02 0.00 0.00 54.97 56.19 1haj s GLU 56 Cb -0.14 -3.45 0.02 0.00 0.10 0.00 0.00 34.13 30.67 1haj s GLU 56 CO -0.04 0.04 -0.14 0.14 0.02 0.00 0.00 175.26 175.27 1haj s VAL 57 N 0.84 1.55 -0.36 2.63 -7.23 -1.26 -0.06 120.40 116.50 1haj s VAL 57 Ca 0.41 -0.63 -0.21 0.00 -1.81 0.00 0.00 61.98 59.74 1haj s VAL 57 Cb -0.19 -1.45 0.01 0.00 0.56 0.00 0.00 36.38 35.31 1haj s VAL 57 CO 0.21 0.45 0.68 0.42 -0.31 0.00 0.00 175.10 176.55 1haj s THR 58 N 1.40 4.84 -0.09 5.32 -4.23 -0.35 -4.83 115.64 117.70 1haj s THR 58 Ca 0.03 0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 61.17 1haj s THR 58 Cb -0.13 -4.12 -0.03 0.00 1.34 0.00 0.00 72.50 69.56 1haj s THR 58 CO -0.09 -0.36 -0.05 0.00 -0.54 0.00 0.00 174.62 173.58 1haj n SER 61 N -1.32 -0.58 -1.02 0.00 3.41 -1.26 -2.37 113.62 110.48 1haj n SER 61 Ca 0.00 -2.09 -0.01 0.00 -0.26 0.00 0.00 58.87 56.51 1haj n SER 61 Cb 0.00 0.27 0.20 0.00 -0.26 0.00 0.00 64.21 64.42 1haj n SER 61 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1haj n THR 62 N -0.63 2.46 -1.67 6.66 5.66 -1.26 -5.05 114.28 120.45 1haj n THR 62 Ca -0.15 -2.73 0.00 0.00 -3.05 0.00 0.00 64.05 58.12 1haj n THR 62 Cb 0.84 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 1haj n THR 62 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1haj n ASP 63 N -1.08 -8.82 -2.06 1.09 2.03 -1.26 -4.44 116.55 102.01 1haj n ASP 63 Ca 0.30 1.62 -0.06 0.00 0.52 0.00 0.00 54.79 57.16 1haj n ASP 63 Cb 0.96 -5.23 -0.01 0.00 -0.72 0.00 0.00 41.12 36.12 1haj n ASP 63 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1haj n LYS 64 N -1.77 -0.96 0.00 -0.67 0.00 -0.50 -4.66 118.16 109.60 1haj n LYS 64 Ca 0.00 0.02 0.13 0.00 -0.00 0.00 0.00 58.31 58.46 1haj n LYS 64 Cb 0.25 -0.70 0.36 0.00 -0.00 0.00 0.00 35.03 34.94 1haj n LYS 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1haj n ASN 66 N -0.35 6.15 -4.71 0.00 6.94 -1.26 -5.04 115.26 116.99 1haj n ASN 66 Ca 0.13 -3.72 -0.40 0.00 -0.02 0.00 0.00 54.58 50.57 1haj n ASN 66 Cb 0.37 -0.87 -0.04 0.00 -2.36 0.00 0.00 39.78 36.87 1haj n ASN 66 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1haj s PRO 67 N -3.93 4.47 -0.35 -0.53 0.04 -1.26 -4.68 135.00 128.76 1haj s PRO 67 Ca 0.45 1.03 -0.42 0.00 0.04 0.00 0.00 61.00 62.10 1haj s PRO 67 Cb 0.28 -3.45 -0.17 0.00 0.04 0.00 0.00 34.50 31.20 1haj s PRO 67 CO -0.18 0.03 1.72 1.58 0.04 0.00 0.00 177.00 180.19 1haj n HIS 68 N 3.82 1.96 -1.66 0.56 -0.00 -1.26 -4.77 115.22 113.87 1haj n HIS 68 Ca 0.01 0.71 -0.33 0.00 0.46 0.00 0.00 57.72 58.57 1haj n HIS 68 Cb 0.51 -2.39 -0.07 0.00 -0.12 0.00 0.00 29.99 27.92 1haj n HIS 68 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1haj n PRO 69 N 5.07 1.37 0.00 1.57 -0.04 -1.26 -2.38 135.00 139.33 1haj n PRO 69 Ca 0.28 -2.14 0.00 0.00 -0.04 0.00 0.00 63.50 61.60 1haj n PRO 69 Cb 0.07 -3.43 0.00 0.00 -0.04 0.00 0.00 33.50 30.10 1haj n PRO 69 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1haj n LYS 70 N 7.86 0.00 -0.89 0.54 3.00 -1.26 -5.16 118.16 122.26 1haj n LYS 70 Ca 0.46 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.42 1haj n LYS 70 Cb 0.44 0.00 0.08 0.00 0.00 0.00 0.00 35.03 35.56 1haj n LYS 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1haj n GLN 71 N 0.00 -0.32 -3.33 1.64 6.02 -1.00 -4.95 117.38 115.43 1haj n GLN 71 Ca 0.00 -0.08 -0.37 0.00 -0.01 0.00 0.00 57.00 56.54 1haj n GLN 71 Cb 0.00 -1.37 -0.06 0.00 1.02 0.00 0.00 30.24 29.83 1haj n GLN 71 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1haj s ARG 72 N -2.73 4.09 -0.08 -1.09 3.52 -1.26 -5.01 118.95 116.38 1haj s ARG 72 Ca 0.47 0.61 -0.29 0.00 -0.13 0.00 0.00 55.73 56.39 1haj s ARG 72 Cb -0.14 -3.13 -0.07 0.00 -1.56 0.00 0.00 34.95 30.06 1haj s ARG 72 CO 0.73 0.59 1.96 -1.25 -0.81 0.00 0.00 175.30 176.53 1haj s PRO 73 N -1.40 3.81 0.00 5.12 0.04 -1.26 -5.22 135.00 136.09 1haj s PRO 73 Ca 0.31 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1haj s PRO 73 Cb -0.18 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.17 1haj s PRO 73 CO 0.18 -1.32 0.00 0.41 0.04 0.00 0.00 177.00 176.31