#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jd1 s LEU 5 N 0.00 4.02 -0.27 -4.42 1.43 -1.26 -4.02 118.68 114.16 1jd1 s LEU 5 Ca 0.00 0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1jd1 s LEU 5 Cb 0.00 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.21 1jd1 s LEU 5 CO 0.00 0.14 -0.04 -0.89 0.23 0.00 0.00 176.35 175.79 1jd1 s THR 6 N 0.57 2.92 0.51 5.49 2.01 -0.31 -4.96 115.64 121.87 1jd1 s THR 6 Ca 0.06 -1.14 -0.20 0.00 0.31 0.00 0.00 61.69 60.71 1jd1 s THR 6 Cb -0.12 -2.55 -0.07 0.00 0.01 0.00 0.00 72.50 69.76 1jd1 s THR 6 CO 0.00 0.09 1.09 -2.84 -0.69 0.00 0.00 174.62 172.28 1jd1 s PRO 7 N 1.30 3.61 -0.11 4.92 0.02 -1.26 -0.52 135.00 142.95 1jd1 s PRO 7 Ca -0.02 1.52 0.02 0.00 0.02 0.00 0.00 61.00 62.54 1jd1 s PRO 7 Cb -0.18 -2.10 0.01 0.00 0.02 0.00 0.00 34.50 32.25 1jd1 s PRO 7 CO -0.03 -0.62 -0.17 0.08 -0.33 0.00 0.00 177.00 175.93 1jd1 s VAL 8 N -1.83 1.61 -0.18 3.83 1.01 -0.07 -4.90 120.40 119.88 1jd1 s VAL 8 Ca 0.69 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 1jd1 s VAL 8 Cb -0.21 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 1jd1 s VAL 8 CO 0.25 0.46 -0.08 -0.63 0.00 0.00 0.00 175.10 175.10 1jd1 s ILE 9 N 0.90 3.26 -0.31 2.22 -1.09 -1.26 -2.15 121.20 122.76 1jd1 s ILE 9 Ca -0.08 -0.55 -0.04 0.00 -2.23 0.00 0.00 60.65 57.75 1jd1 s ILE 9 Cb -0.15 -2.44 0.04 0.00 -1.58 0.00 0.00 42.46 38.33 1jd1 s ILE 9 CO -0.01 0.47 0.04 0.00 -1.23 0.00 0.00 174.94 174.22 1jd1 h GLU 11 N 8.11 0.00 -0.00 0.00 4.39 -1.98 -2.65 114.58 122.45 1jd1 h GLU 11 Ca -0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1jd1 h GLU 11 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1jd1 h GLU 11 CO 0.57 0.10 -0.19 0.45 -1.16 0.00 0.00 179.01 178.78 1jd1 n SER 12 N -3.50 0.46 -4.96 1.42 2.88 -1.26 -4.89 113.62 103.77 1jd1 n SER 12 Ca -0.02 -0.36 -0.22 0.00 -1.33 0.00 0.00 58.87 56.94 1jd1 n SER 12 Cb 0.24 -0.06 -0.01 0.00 -0.75 0.00 0.00 64.21 63.63 1jd1 n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jd1 s ALA 13 N -2.67 3.84 0.78 -1.46 0.00 -1.00 -4.55 121.76 116.70 1jd1 s ALA 13 Ca 0.22 -1.10 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 1jd1 s ALA 13 Cb 0.19 -1.90 0.07 0.00 0.00 0.00 0.00 23.12 21.48 1jd1 s ALA 13 CO 0.54 0.10 1.21 -2.14 0.00 0.00 0.00 175.76 175.46 1jd1 s PRO 14 N -4.15 1.77 0.49 0.00 0.02 -1.26 -4.84 135.00 127.03 1jd1 s PRO 14 Ca 0.37 1.77 -0.22 0.00 0.02 0.00 0.00 61.00 62.94 1jd1 s PRO 14 Cb -0.09 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.57 1jd1 s PRO 14 CO 0.32 -2.12 1.22 0.00 -0.33 0.00 0.00 177.00 176.10 1jd1 s ALA 15 N -2.08 2.90 0.35 -1.55 0.00 -1.26 -4.95 121.76 115.17 1jd1 s ALA 15 Ca 0.74 1.05 -0.28 0.00 0.00 0.00 0.00 51.96 53.46 1jd1 s ALA 15 Cb -0.29 -3.44 -0.11 0.00 0.00 0.00 0.00 23.12 19.28 1jd1 s ALA 15 CO 0.49 -0.89 1.46 0.00 0.00 0.00 0.00 175.76 176.82 1jd1 s ALA 16 N -1.49 3.58 -0.98 0.00 0.00 -1.26 -4.92 121.76 116.69 1jd1 s ALA 16 Ca 0.67 1.50 0.27 0.00 0.00 0.00 0.00 51.96 54.40 1jd1 s ALA 16 Cb -0.32 -3.59 0.95 0.00 0.00 0.00 0.00 23.12 20.17 1jd1 s ALA 16 CO 0.38 -0.95 1.73 0.00 0.00 0.00 0.00 175.76 176.92 1jd1 n ALA 17 N 0.79 2.76 -3.34 0.00 0.00 -1.26 -4.92 120.51 114.54 1jd1 n ALA 17 Ca 0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 53.44 53.23 1jd1 n ALA 17 Cb 0.40 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 1jd1 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jd1 n ALA 18 N -1.52 -0.09 -1.99 0.00 0.00 -1.26 -5.07 120.51 110.58 1jd1 n ALA 18 Ca 0.06 -0.53 -0.40 0.00 0.00 0.00 0.00 53.44 52.57 1jd1 n ALA 18 Cb 0.34 0.43 -0.02 0.00 0.00 0.00 0.00 19.45 20.20 1jd1 n ALA 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jd1 n SER 19 N -2.01 3.90 -3.85 0.00 2.88 -1.26 -4.88 113.62 108.40 1jd1 n SER 19 Ca 0.00 -2.82 -0.10 0.00 -1.33 0.00 0.00 58.87 54.63 1jd1 n SER 19 Cb 0.19 -1.62 -0.08 0.00 -0.75 0.00 0.00 64.21 61.95 1jd1 n SER 19 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1jd1 s TYR 20 N 5.18 0.09 0.31 0.66 -0.85 -1.26 -5.16 117.35 116.32 1jd1 s TYR 20 Ca 0.55 -0.39 -0.05 0.00 -0.52 0.00 0.00 57.07 56.65 1jd1 s TYR 20 Cb 0.08 -0.04 -0.05 0.00 0.38 0.00 0.00 41.96 42.33 1jd1 s TYR 20 CO 0.04 -0.47 0.59 -1.12 -1.52 0.00 0.00 175.55 173.07 1jd1 s SER 21 N -2.39 6.44 0.39 -0.18 0.01 -1.26 -4.82 113.70 111.89 1jd1 s SER 21 Ca -0.01 0.75 0.07 0.00 1.31 0.00 0.00 55.95 58.08 1jd1 s SER 21 Cb 0.01 -2.16 0.82 0.00 0.21 0.00 0.00 66.02 64.90 1jd1 s SER 21 CO -0.07 -0.24 1.99 0.45 0.41 0.00 0.00 173.24 175.79 1jd1 h HIS 22 N 1.52 0.64 -3.30 2.43 -0.00 -1.83 -3.41 115.15 111.19 1jd1 h HIS 22 Ca -0.48 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 59.88 1jd1 h HIS 22 Cb 1.19 -0.21 -0.11 0.00 -0.00 0.00 0.00 27.41 28.28 1jd1 h HIS 22 CO 0.58 0.35 0.02 0.00 -0.00 0.00 0.00 177.93 178.88 1jd1 s ALA 23 N -5.58 -0.99 -0.03 2.45 0.00 -1.15 -0.91 121.76 115.56 1jd1 s ALA 23 Ca -0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 51.96 51.74 1jd1 s ALA 23 Cb 0.19 0.82 0.03 0.00 0.00 0.00 0.00 23.12 24.16 1jd1 s ALA 23 CO 0.76 -0.77 0.02 1.41 0.00 0.00 0.00 175.76 177.18 1jd1 s MET 24 N -3.85 0.11 -0.14 0.00 0.00 -0.08 -0.89 119.30 114.45 1jd1 s MET 24 Ca 0.07 0.17 -0.08 0.00 0.00 0.00 0.00 55.69 55.85 1jd1 s MET 24 Cb -0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 34.83 34.38 1jd1 s MET 24 CO -0.06 -0.19 0.15 0.15 0.00 0.00 0.00 175.02 175.07 1jd1 s LYS 25 N 1.25 3.69 -0.11 4.11 1.02 0.32 -0.60 119.74 129.41 1jd1 s LYS 25 Ca -0.07 -0.14 -0.02 0.00 0.02 0.00 0.00 55.97 55.76 1jd1 s LYS 25 Cb -0.13 -3.26 0.04 0.00 -0.52 0.00 0.00 37.83 33.96 1jd1 s LYS 25 CO -0.03 0.63 0.02 0.54 -0.92 0.00 0.00 175.35 175.59 1jd1 s VAL 26 N -0.59 0.34 0.00 3.17 0.11 -0.13 -1.16 120.40 122.14 1jd1 s VAL 26 Ca 0.13 -0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 1jd1 s VAL 26 Cb -0.12 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 1jd1 s VAL 26 CO 0.02 0.07 0.00 0.59 -3.33 0.00 0.00 175.10 172.45 1jd1 n ASN 27 N 5.14 0.00 -0.32 3.54 3.02 -1.26 -1.07 115.26 124.31 1jd1 n ASN 27 Ca -0.07 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.60 1jd1 n ASN 27 Cb 0.49 0.00 0.31 0.00 -0.61 0.00 0.00 39.78 39.97 1jd1 n ASN 27 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1jd1 n ASN 28 N 6.89 1.29 -4.92 6.41 6.94 -1.26 -4.95 115.26 125.67 1jd1 n ASN 28 Ca 0.00 -1.08 -0.32 0.00 -0.02 0.00 0.00 54.58 53.16 1jd1 n ASN 28 Cb 0.00 0.19 -0.04 0.00 -2.36 0.00 0.00 39.78 37.57 1jd1 n ASN 28 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1jd1 s LEU 29 N -2.45 4.36 -0.12 -4.53 1.43 -0.24 -0.87 118.68 116.27 1jd1 s LEU 29 Ca 0.24 0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 1jd1 s LEU 29 Cb 0.19 -2.87 0.01 0.00 0.03 0.00 0.00 46.19 43.56 1jd1 s LEU 29 CO 0.51 0.20 -0.17 -0.63 0.23 0.00 0.00 176.35 176.49 1jd1 s ILE 30 N -1.46 1.63 -0.30 -0.59 1.01 0.95 -0.95 121.20 121.49 1jd1 s ILE 30 Ca 0.33 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 1jd1 s ILE 30 Cb -0.13 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.86 1jd1 s ILE 30 CO 0.25 0.47 0.10 -0.36 0.00 0.00 0.00 174.94 175.40 1jd1 s PHE 31 N 0.99 3.16 0.01 3.97 0.40 0.23 -0.75 117.98 126.00 1jd1 s PHE 31 Ca -0.06 -0.84 -0.13 0.00 -0.60 0.00 0.00 56.93 55.30 1jd1 s PHE 31 Cb -0.15 -2.29 -0.06 0.00 0.51 0.00 0.00 43.02 41.04 1jd1 s PHE 31 CO -0.03 -0.54 0.38 -0.51 0.70 0.00 0.00 175.22 175.23 1jd1 s LEU 32 N 1.54 4.43 0.69 -0.37 1.02 -0.18 -0.90 118.68 124.90 1jd1 s LEU 32 Ca 0.03 0.87 -0.13 0.00 0.02 0.00 0.00 54.13 54.93 1jd1 s LEU 32 Cb -0.17 -2.66 0.01 0.00 0.02 0.00 0.00 46.19 43.39 1jd1 s LEU 32 CO 0.04 0.29 1.08 -0.44 0.02 0.00 0.00 176.35 177.33 1jd1 s SER 33 N -1.27 5.18 0.27 2.29 0.01 -0.08 -3.73 113.70 116.37 1jd1 s SER 33 Ca 0.26 1.78 -0.30 0.00 1.31 0.00 0.00 55.95 59.00 1jd1 s SER 33 Cb -0.15 -2.52 -0.11 0.00 0.21 0.00 0.00 66.02 63.45 1jd1 s SER 33 CO 0.14 -1.58 1.52 -0.83 0.41 0.00 0.00 173.24 172.91 1jd1 s GLY 34 N -3.25 2.21 0.01 3.44 0.00 -1.26 -4.63 107.32 103.83 1jd1 s GLY 34 Ca 0.62 1.46 0.04 0.00 0.00 0.00 0.00 44.72 46.83 1jd1 s GLY 34 CO 0.49 2.43 -0.09 1.20 0.00 0.00 0.00 173.10 177.12 1jd1 s GLN 35 N -0.43 2.46 0.33 2.90 -1.52 0.96 -4.89 119.66 119.47 1jd1 s GLN 35 Ca 0.61 -0.77 0.08 0.00 -1.95 0.00 0.00 55.36 53.33 1jd1 s GLN 35 Cb -0.45 -2.44 -0.06 0.00 -0.22 0.00 0.00 33.01 29.84 1jd1 s GLN 35 CO 0.46 0.59 -0.05 0.96 -0.25 0.00 0.00 175.29 176.99 1jd1 s ILE 36 N -0.97 1.92 -1.02 1.08 -4.36 -1.26 -1.30 121.20 115.29 1jd1 s ILE 36 Ca 0.16 -2.13 -0.22 0.00 -0.26 0.00 0.00 60.65 58.21 1jd1 s ILE 36 Cb -0.11 -2.66 -0.11 0.00 1.25 0.00 0.00 42.46 40.84 1jd1 s ILE 36 CO 0.07 -0.18 1.93 -0.81 0.24 0.00 0.00 174.94 176.18 1jd1 n PRO 37 N -0.75 1.69 -4.22 0.37 -0.04 -1.26 -4.50 135.00 126.29 1jd1 n PRO 37 Ca -0.05 -2.25 -0.19 0.00 -0.04 0.00 0.00 63.50 60.97 1jd1 n PRO 37 Cb 0.64 -3.35 -0.16 0.00 -0.04 0.00 0.00 33.50 30.60 1jd1 n PRO 37 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1jd1 s VAL 38 N 7.76 0.57 0.81 0.52 1.01 -1.26 -1.70 120.40 128.10 1jd1 s VAL 38 Ca 0.62 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.30 1jd1 s VAL 38 Cb 0.07 -0.55 0.08 0.00 0.00 0.00 0.00 36.38 35.97 1jd1 s VAL 38 CO 0.12 0.21 1.09 -0.89 0.00 0.00 0.00 175.10 175.63 1jd1 s THR 39 N 0.56 3.14 -0.60 3.92 2.01 0.23 -4.70 115.64 120.20 1jd1 s THR 39 Ca -0.08 0.37 0.17 0.00 0.31 0.00 0.00 61.69 62.46 1jd1 s THR 39 Cb -0.11 -2.85 0.16 0.00 0.01 0.00 0.00 72.50 69.71 1jd1 s THR 39 CO 0.00 -0.48 1.51 -0.81 -0.69 0.00 0.00 174.62 174.15 1jd1 n PRO 40 N -3.62 0.10 -0.17 4.92 -0.04 -1.26 -0.22 135.00 134.71 1jd1 n PRO 40 Ca 0.09 0.47 0.05 0.00 -0.04 0.00 0.00 63.50 64.06 1jd1 n PRO 40 Cb 0.54 -1.75 0.14 0.00 -0.04 0.00 0.00 33.50 32.38 1jd1 n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1jd1 n ASP 41 N -1.96 1.72 -2.39 3.54 10.43 -1.26 -4.57 116.55 122.06 1jd1 n ASP 41 Ca 0.01 -2.02 -0.17 0.00 2.57 0.00 0.00 54.79 55.18 1jd1 n ASP 41 Cb 0.12 -0.22 0.03 0.00 1.84 0.00 0.00 41.12 42.88 1jd1 n ASP 41 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1jd1 n ASN 42 N 0.40 -5.13 -4.53 -2.24 3.02 0.69 -5.03 115.26 102.45 1jd1 n ASN 42 Ca 0.10 -0.22 -0.33 0.00 -0.03 0.00 0.00 54.58 54.10 1jd1 n ASN 42 Cb 0.28 -3.98 -0.12 0.00 -0.61 0.00 0.00 39.78 35.35 1jd1 n ASN 42 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jd1 s LYS 43 N -5.43 2.57 0.26 3.52 3.01 -1.24 -4.87 119.74 117.55 1jd1 s LYS 43 Ca 0.23 -0.67 -0.30 0.00 -1.01 0.00 0.00 55.97 54.23 1jd1 s LYS 43 Cb -0.10 -2.46 -0.10 0.00 -1.01 0.00 0.00 37.83 34.16 1jd1 s LYS 43 CO 0.29 0.63 1.41 -0.51 0.51 0.00 0.00 175.35 177.68 1jd1 s LEU 44 N -0.91 4.39 0.08 3.17 2.01 -1.26 -0.60 118.68 125.56 1jd1 s LEU 44 Ca 0.13 2.65 -0.30 0.00 0.01 0.00 0.00 54.13 56.61 1jd1 s LEU 44 Cb -0.11 -3.63 -0.06 0.00 0.01 0.00 0.00 46.19 42.41 1jd1 s LEU 44 CO 0.02 -0.66 1.13 -0.69 1.01 0.00 0.00 176.35 177.16 1jd1 s VAL 45 N -0.17 4.15 -0.00 -1.59 1.01 -0.69 -4.87 120.40 118.24 1jd1 s VAL 45 Ca 0.57 1.61 0.02 0.00 0.00 0.00 0.00 61.98 64.19 1jd1 s VAL 45 Cb -0.41 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 1jd1 s VAL 45 CO 0.44 0.16 -0.03 -1.83 0.00 0.00 0.00 175.10 173.85 1jd1 s GLU 46 N 0.69 2.69 0.00 2.72 1.03 -1.26 -4.95 118.70 119.63 1jd1 s GLU 46 Ca 0.55 -0.65 0.00 0.00 0.03 0.00 0.00 54.97 54.90 1jd1 s GLU 46 Cb -0.28 -2.60 0.00 0.00 -0.80 0.00 0.00 34.13 30.45 1jd1 s GLU 46 CO 0.30 0.62 0.00 0.41 -1.33 0.00 0.00 175.26 175.26 1jd1 n GLY 47 N 1.51 0.44 3.92 -3.83 0.00 -1.26 -4.92 105.19 101.05 1jd1 n GLY 47 Ca -0.15 -1.62 -0.27 0.00 0.00 0.00 0.00 46.02 43.98 1jd1 n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jd1 s SER 48 N -4.00 5.24 0.29 1.61 1.04 -1.26 -4.92 113.70 111.69 1jd1 s SER 48 Ca 0.00 0.69 -0.02 0.00 0.48 0.00 0.00 55.95 57.10 1jd1 s SER 48 Cb 0.00 -1.51 0.41 0.00 0.10 0.00 0.00 66.02 65.03 1jd1 s SER 48 CO 0.00 -1.34 1.89 0.40 0.98 0.00 0.00 173.24 175.17 1jd1 h ILE 49 N -0.44 1.22 -0.73 -1.02 1.08 -1.99 -1.51 117.51 114.11 1jd1 h ILE 49 Ca -0.45 -0.61 -0.03 0.00 -0.39 0.00 0.00 64.86 63.38 1jd1 h ILE 49 Cb 1.28 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 35.35 1jd1 h ILE 49 CO 0.61 0.26 0.34 0.00 -0.69 0.00 0.00 178.15 178.67 1jd1 h ALA 50 N 1.40 0.95 -0.56 1.87 0.00 -1.93 0.14 119.26 121.13 1jd1 h ALA 50 Ca 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1jd1 h ALA 50 Cb 0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1jd1 h ALA 50 CO -0.03 0.52 0.22 -0.44 0.00 0.00 0.00 179.25 179.52 1jd1 h ASP 51 N 1.03 0.78 -0.44 0.00 3.32 -1.68 -1.11 116.42 118.32 1jd1 h ASP 51 Ca 0.25 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 1jd1 h ASP 51 Cb 0.14 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1jd1 h ASP 51 CO -0.03 0.74 -0.11 0.11 -1.72 0.00 0.00 179.24 178.23 1jd1 h LYS 52 N 0.77 0.84 -0.88 3.56 1.57 -1.04 -2.72 116.57 118.67 1jd1 h LYS 52 Ca 0.19 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1jd1 h LYS 52 Cb 0.21 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 1jd1 h LYS 52 CO -0.01 0.96 0.50 0.00 -0.57 0.00 0.00 179.45 180.32 1jd1 h ALA 53 N 0.86 1.21 -0.72 3.86 0.00 -0.54 -1.50 119.26 122.44 1jd1 h ALA 53 Ca 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jd1 h ALA 53 Cb 0.65 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1jd1 h ALA 53 CO 0.04 0.64 0.44 0.93 0.00 0.00 0.00 179.25 181.31 1jd1 h GLU 54 N 1.23 0.97 -0.36 0.00 4.39 -1.02 -1.69 114.58 118.09 1jd1 h GLU 54 Ca 0.31 -0.08 -0.10 0.00 0.34 0.00 0.00 59.36 59.83 1jd1 h GLU 54 Cb 0.01 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 1jd1 h GLU 54 CO -0.05 0.68 -0.16 0.37 -1.16 0.00 0.00 179.01 178.68 1jd1 h GLN 55 N 0.98 0.74 0.02 2.33 5.75 -1.13 -1.36 115.11 122.45 1jd1 h GLN 55 Ca 0.26 -0.32 0.02 0.00 -0.15 0.00 0.00 58.65 58.46 1jd1 h GLN 55 Cb -0.05 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 1jd1 h GLN 55 CO -0.05 0.93 -0.15 0.28 -2.65 0.00 0.00 178.83 177.19 1jd1 h VAL 56 N 0.53 0.64 -0.25 2.39 2.07 -1.04 -0.20 116.25 120.38 1jd1 h VAL 56 Ca 0.08 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.54 1jd1 h VAL 56 Cb 0.70 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1jd1 h VAL 56 CO 0.05 0.00 -0.11 0.40 0.02 0.00 0.00 177.57 177.93 1jd1 h ILE 57 N -0.26 1.21 -0.57 4.57 2.04 -1.29 -1.28 117.51 121.92 1jd1 h ILE 57 Ca 0.04 -0.92 -0.05 0.00 1.00 0.00 0.00 64.86 64.94 1jd1 h ILE 57 Cb 0.32 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1jd1 h ILE 57 CO -0.13 0.30 0.17 1.56 0.00 0.00 0.00 178.15 180.05 1jd1 h GLN 58 N 0.38 0.89 -0.30 2.37 1.08 -0.75 0.25 115.11 119.04 1jd1 h GLN 58 Ca 0.08 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 1jd1 h GLN 58 Cb 0.43 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 1jd1 h GLN 58 CO 0.02 0.81 0.15 -0.91 -0.95 0.00 0.00 178.83 177.95 1jd1 h ASN 59 N 0.81 0.39 -0.67 1.46 2.35 -0.53 -0.65 115.58 118.75 1jd1 h ASN 59 Ca 0.18 -0.12 0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1jd1 h ASN 59 Cb 0.29 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.52 1jd1 h ASN 59 CO -0.00 0.40 0.42 0.40 -1.65 0.00 0.00 177.43 177.00 1jd1 h ILE 60 N 0.36 1.11 -0.39 2.81 1.08 -0.93 -1.31 117.51 120.23 1jd1 h ILE 60 Ca 0.10 -0.29 0.01 0.00 -0.39 0.00 0.00 64.86 64.30 1jd1 h ILE 60 Cb 0.11 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 34.04 1jd1 h ILE 60 CO -0.01 0.15 0.23 0.50 -0.69 0.00 0.00 178.15 178.33 1jd1 h LYS 61 N 0.83 0.46 -0.59 2.37 3.64 -0.09 -0.29 116.57 122.90 1jd1 h LYS 61 Ca 0.26 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.63 1jd1 h LYS 61 Cb -0.01 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 1jd1 h LYS 61 CO -0.09 0.30 0.37 -0.91 -2.27 0.00 0.00 179.45 176.85 1jd1 h ASN 62 N 0.47 0.62 -0.61 4.20 -0.26 -0.78 -0.95 115.58 118.27 1jd1 h ASN 62 Ca 0.15 -0.01 -0.08 0.00 -0.56 0.00 0.00 56.30 55.80 1jd1 h ASN 62 Cb -0.00 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.09 1jd1 h ASN 62 CO -0.07 0.44 0.07 0.58 -1.06 0.00 0.00 177.43 177.39 1jd1 h VAL 63 N 0.75 1.26 -0.53 2.81 2.07 -0.88 -1.39 116.25 120.34 1jd1 h VAL 63 Ca 0.23 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1jd1 h VAL 63 Cb -0.02 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1jd1 h VAL 63 CO -0.08 0.39 0.33 -0.07 0.02 0.00 0.00 177.57 178.17 1jd1 h LEU 64 N 0.98 0.62 -0.57 2.57 3.38 -0.53 -1.19 115.31 120.57 1jd1 h LEU 64 Ca 0.19 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1jd1 h LEU 64 Cb 0.47 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1jd1 h LEU 64 CO 0.02 0.47 0.37 -0.33 0.09 0.00 0.00 178.44 179.06 1jd1 h GLU 65 N 0.71 0.73 0.00 1.13 5.08 -0.87 0.45 114.58 121.81 1jd1 h GLU 65 Ca 0.19 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1jd1 h GLU 65 Cb -0.05 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.04 1jd1 h GLU 65 CO -0.04 0.48 0.00 0.00 -1.00 0.00 0.00 179.01 178.45 1jd1 h ALA 66 N 1.22 1.00 -0.71 3.43 0.00 -0.85 -2.45 119.26 120.90 1jd1 h ALA 66 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1jd1 h ALA 66 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1jd1 h ALA 66 CO -0.06 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.62 1jd1 n SER 67 N -2.99 4.16 -3.00 0.00 7.64 -0.47 -4.91 113.62 114.06 1jd1 n SER 67 Ca -0.00 -2.13 -0.16 0.00 1.01 0.00 0.00 58.87 57.59 1jd1 n SER 67 Cb 0.23 -0.52 0.07 0.00 -1.01 0.00 0.00 64.21 62.98 1jd1 n SER 67 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1jd1 n ASN 68 N 1.50 -3.18 -0.78 6.43 4.05 -0.92 -4.84 115.26 117.51 1jd1 n ASN 68 Ca 0.25 -0.49 0.00 0.00 0.45 0.00 0.00 54.58 54.79 1jd1 n ASN 68 Cb 0.70 -4.26 0.00 0.00 1.23 0.00 0.00 39.78 37.45 1jd1 n ASN 68 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1jd1 n SER 69 N -2.56 0.00 -3.80 1.20 2.88 0.02 -1.49 113.62 109.88 1jd1 n SER 69 Ca -0.16 -0.78 -0.07 0.00 -1.33 0.00 0.00 58.87 56.53 1jd1 n SER 69 Cb 0.61 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.05 1jd1 n SER 69 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1jd1 s SER 70 N -0.54 -0.28 0.25 -3.46 1.04 -1.26 -3.79 113.70 105.65 1jd1 s SER 70 Ca 0.00 -0.51 -0.05 0.00 0.48 0.00 0.00 55.95 55.87 1jd1 s SER 70 Cb 0.00 0.68 0.33 0.00 0.10 0.00 0.00 66.02 67.13 1jd1 s SER 70 CO 0.00 -1.24 1.89 -0.07 0.98 0.00 0.00 173.24 174.80 1jd1 h LEU 71 N 2.00 1.01 0.00 2.42 3.38 -1.95 -1.31 115.31 120.86 1jd1 h LEU 71 Ca -0.21 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1jd1 h LEU 71 Cb 1.25 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1jd1 h LEU 71 CO 0.25 0.67 0.00 0.47 0.09 0.00 0.00 178.44 179.92 1jd1 n ASP 72 N -4.50 0.00 -0.65 -0.43 8.00 -1.26 -1.55 116.55 116.15 1jd1 n ASP 72 Ca 0.13 0.01 0.06 0.00 0.71 0.00 0.00 54.79 55.70 1jd1 n ASP 72 Cb 0.12 -0.23 0.15 0.00 -0.02 0.00 0.00 41.12 41.14 1jd1 n ASP 72 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1jd1 n ARG 73 N -1.23 2.57 -2.41 -1.24 1.74 -0.50 -4.99 116.66 110.61 1jd1 n ARG 73 Ca 0.07 -1.96 -0.42 0.00 -0.77 0.00 0.00 57.85 54.76 1jd1 n ARG 73 Cb 0.09 -1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 1jd1 n ARG 73 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1jd1 s VAL 74 N -1.00 3.96 -0.21 1.55 1.01 -0.60 -0.91 120.40 124.21 1jd1 s VAL 74 Ca 0.23 1.42 0.03 0.00 0.00 0.00 0.00 61.98 63.67 1jd1 s VAL 74 Cb 0.12 -3.91 -0.20 0.00 0.00 0.00 0.00 36.38 32.39 1jd1 s VAL 74 CO 0.16 0.12 -0.01 0.52 0.00 0.00 0.00 175.10 175.89 1jd1 n VAL 75 N 3.83 1.54 -3.78 2.92 0.31 0.82 -4.44 118.33 119.54 1jd1 n VAL 75 Ca 0.09 -0.64 -0.13 0.00 -0.01 0.00 0.00 64.34 63.64 1jd1 n VAL 75 Cb 0.46 -1.32 -0.11 0.00 -0.91 0.00 0.00 33.84 31.96 1jd1 n VAL 75 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1jd1 s LYS 76 N -2.53 0.35 -0.02 5.55 2.47 -0.97 -1.23 119.74 123.36 1jd1 s LYS 76 Ca -0.27 0.34 0.04 0.00 -1.56 0.00 0.00 55.97 54.52 1jd1 s LYS 76 Cb 0.08 0.17 -0.01 0.00 -1.46 0.00 0.00 37.83 36.61 1jd1 s LYS 76 CO 0.68 -0.05 -0.13 0.08 0.16 0.00 0.00 175.35 176.09 1jd1 s VAL 77 N 0.03 1.08 -0.13 4.02 1.01 -0.22 -0.64 120.40 125.54 1jd1 s VAL 77 Ca -0.01 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1jd1 s VAL 77 Cb -0.02 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.45 1jd1 s VAL 77 CO 0.01 0.31 -0.22 0.20 0.00 0.00 0.00 175.10 175.40 1jd1 s ASN 78 N -0.13 3.05 -0.16 3.32 -0.87 -0.76 -1.95 114.94 117.45 1jd1 s ASN 78 Ca 0.02 -0.59 -0.03 0.00 -1.57 0.00 0.00 52.86 50.69 1jd1 s ASN 78 Cb -0.07 -1.41 -0.02 0.00 -0.02 0.00 0.00 41.25 39.72 1jd1 s ASN 78 CO 0.00 0.08 -0.05 -0.63 -2.57 0.00 0.00 177.10 173.93 1jd1 s ILE 79 N 0.77 3.72 -0.21 0.60 -1.09 -0.33 -1.41 121.20 123.25 1jd1 s ILE 79 Ca -0.08 -0.42 0.01 0.00 -2.23 0.00 0.00 60.65 57.93 1jd1 s ILE 79 Cb -0.16 -2.62 0.03 0.00 -1.58 0.00 0.00 42.46 38.13 1jd1 s ILE 79 CO -0.01 0.49 -0.16 -0.36 -1.23 0.00 0.00 174.94 173.68 1jd1 s PHE 80 N 0.46 2.97 0.03 3.97 0.40 0.42 -1.84 117.98 124.38 1jd1 s PHE 80 Ca -0.05 -1.85 -0.00 0.00 -0.60 0.00 0.00 56.93 54.43 1jd1 s PHE 80 Cb -0.15 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 1jd1 s PHE 80 CO 0.03 -0.82 0.16 -0.51 0.70 0.00 0.00 175.22 174.78 1jd1 s LEU 81 N 1.23 4.19 0.29 -0.37 1.43 0.08 -0.81 118.68 124.73 1jd1 s LEU 81 Ca 0.00 0.23 0.24 0.00 -1.03 0.00 0.00 54.13 53.57 1jd1 s LEU 81 Cb -0.16 -2.65 0.44 0.00 0.03 0.00 0.00 46.19 43.85 1jd1 s LEU 81 CO -0.09 0.22 1.54 0.00 0.23 0.00 0.00 176.35 178.25 1jd1 h ALA 82 N 3.53 0.87 -2.72 4.21 0.00 -1.34 0.20 119.26 124.01 1jd1 h ALA 82 Ca -0.47 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.27 1jd1 h ALA 82 Cb 1.17 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.66 1jd1 h ALA 82 CO 0.70 0.00 -0.47 0.16 0.00 0.00 0.00 179.25 179.64 1jd1 s ASP 83 N -5.29 0.14 0.61 0.00 3.84 -1.26 -4.73 116.67 109.98 1jd1 s ASP 83 Ca 0.07 0.73 0.32 0.00 -0.00 0.00 0.00 52.55 53.67 1jd1 s ASP 83 Cb 0.09 0.94 1.90 0.00 -1.38 0.00 0.00 42.92 44.47 1jd1 s ASP 83 CO 0.67 -0.24 2.25 -0.29 -0.00 0.00 0.00 175.17 177.56 1jd1 h ILE 84 N 6.25 0.42 0.00 2.11 6.09 -1.93 -1.72 117.51 128.72 1jd1 h ILE 84 Ca -0.15 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 1jd1 h ILE 84 Cb 1.11 0.97 0.00 0.00 0.47 0.00 0.00 36.82 39.37 1jd1 h ILE 84 CO 0.13 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.80 1jd1 n ASN 85 N -3.69 0.25 -0.24 2.19 3.02 -1.26 -1.60 115.26 113.93 1jd1 n ASN 85 Ca -0.02 0.57 0.14 0.00 -0.03 0.00 0.00 54.58 55.25 1jd1 n ASN 85 Cb 0.12 -0.62 0.64 0.00 -0.61 0.00 0.00 39.78 39.31 1jd1 n ASN 85 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1jd1 n HIS 86 N -1.79 0.00 -0.05 3.10 8.25 -0.65 -4.45 115.22 119.63 1jd1 n HIS 86 Ca 0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.35 1jd1 n HIS 86 Cb 0.15 -0.06 -0.09 0.00 1.12 0.00 0.00 29.99 31.11 1jd1 n HIS 86 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1jd1 h PHE 87 N 1.16 -1.43 -0.12 4.41 3.57 -1.48 -0.11 116.94 122.94 1jd1 h PHE 87 Ca 0.00 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1jd1 h PHE 87 Cb 0.34 0.65 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 1jd1 h PHE 87 CO 0.00 -0.46 -0.04 0.00 -2.23 0.00 0.00 178.31 175.58 1jd1 h ALA 88 N -0.37 0.07 -0.19 2.41 0.00 -1.84 0.12 119.26 119.47 1jd1 h ALA 88 Ca 0.04 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jd1 h ALA 88 Cb 0.56 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1jd1 h ALA 88 CO -0.43 -0.50 0.11 1.49 0.00 0.00 0.00 179.25 179.92 1jd1 h GLU 89 N -0.02 0.26 -0.43 0.00 4.81 -1.82 -1.82 114.58 115.56 1jd1 h GLU 89 Ca 0.06 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1jd1 h GLU 89 Cb 0.11 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 1jd1 h GLU 89 CO -0.13 0.24 0.11 0.35 -0.73 0.00 0.00 179.01 178.85 1jd1 h PHE 90 N 0.20 0.20 -0.81 0.92 3.57 -0.73 -1.64 116.94 118.65 1jd1 h PHE 90 Ca 0.07 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.72 1jd1 h PHE 90 Cb 0.05 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.71 1jd1 h PHE 90 CO -0.04 0.05 0.53 -0.91 -2.23 0.00 0.00 178.31 175.71 1jd1 h ASN 91 N 0.26 0.55 0.76 0.41 2.35 -0.38 -0.52 115.58 119.00 1jd1 h ASN 91 Ca 0.20 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.92 1jd1 h ASN 91 Cb 0.23 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1jd1 h ASN 91 CO -0.24 0.30 -0.31 0.77 -1.65 0.00 0.00 177.43 176.29 1jd1 h SER 92 N 0.59 0.00 0.16 5.81 4.64 -0.45 -1.40 113.55 122.91 1jd1 h SER 92 Ca 0.39 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.44 1jd1 h SER 92 Cb 0.69 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.80 1jd1 h SER 92 CO -0.15 0.31 -1.31 0.58 -0.87 0.00 0.00 176.83 175.38 1jd1 h VAL 93 N 0.00 1.20 -0.89 0.95 2.07 -1.20 -3.33 116.25 115.04 1jd1 h VAL 93 Ca -0.00 -2.52 0.12 0.00 0.82 0.00 0.00 66.70 65.13 1jd1 h VAL 93 Cb 0.77 2.93 -0.09 0.00 -1.52 0.00 0.00 31.29 33.38 1jd1 h VAL 93 CO 0.04 0.75 0.51 0.22 0.02 0.00 0.00 177.57 179.12 1jd1 h TYR 94 N -0.17 0.92 0.00 1.57 3.20 -0.96 -0.25 116.97 121.28 1jd1 h TYR 94 Ca -0.26 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.64 1jd1 h TYR 94 Cb 1.86 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 39.86 1jd1 h TYR 94 CO 0.14 0.31 -0.03 0.00 -1.64 0.00 0.00 178.16 176.95 1jd1 h ALA 95 N 1.52 1.15 -0.06 1.82 0.00 -1.37 -1.18 119.26 121.16 1jd1 h ALA 95 Ca 0.46 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.25 1jd1 h ALA 95 Cb 0.53 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1jd1 h ALA 95 CO -0.30 0.04 -0.37 0.87 0.00 0.00 0.00 179.25 179.49 1jd1 h LYS 96 N 0.00 0.12 0.00 0.00 1.57 -1.16 -3.27 116.57 113.83 1jd1 h LYS 96 Ca -0.00 -0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.53 1jd1 h LYS 96 Cb 0.16 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 1jd1 h LYS 96 CO 0.00 0.47 -2.13 0.66 -0.57 0.00 0.00 179.45 177.89 1jd1 n TYR 97 N -4.08 0.11 -3.75 -1.35 4.02 -0.55 -4.72 117.16 106.84 1jd1 n TYR 97 Ca -0.02 0.04 -0.30 0.00 -0.01 0.00 0.00 57.90 57.61 1jd1 n TYR 97 Cb 0.42 -0.82 -0.14 0.00 -0.02 0.00 0.00 39.34 38.79 1jd1 n TYR 97 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1jd1 s PHE 98 N -2.93 2.11 0.00 -0.72 0.40 -0.59 -4.89 117.98 111.35 1jd1 s PHE 98 Ca -0.08 -2.37 0.00 0.00 -0.60 0.00 0.00 56.93 53.88 1jd1 s PHE 98 Cb 0.09 -1.97 0.00 0.00 0.51 0.00 0.00 43.02 41.65 1jd1 s PHE 98 CO 0.86 -0.81 0.00 -1.71 0.70 0.00 0.00 175.22 174.26 1jd1 n ASN 99 N 3.82 0.00 -0.23 1.36 4.05 -1.24 -4.39 115.26 118.64 1jd1 n ASN 99 Ca 0.06 0.00 -0.08 0.00 0.45 0.00 0.00 54.58 55.01 1jd1 n ASN 99 Cb 0.36 0.00 0.05 0.00 1.23 0.00 0.00 39.78 41.42 1jd1 n ASN 99 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1jd1 h THR 100 N 0.00 1.26 -3.71 -0.44 1.03 -1.91 -3.39 112.91 105.76 1jd1 h THR 100 Ca 0.00 -1.06 -0.65 0.00 -0.01 0.00 0.00 66.41 64.69 1jd1 h THR 100 Cb 0.00 0.67 -0.21 0.00 -1.07 0.00 0.00 68.15 67.54 1jd1 h THR 100 CO 0.00 0.40 -0.59 -2.28 -0.01 0.00 0.00 175.52 173.04 1jd1 s HIS 101 N -5.16 3.13 -0.38 0.00 5.65 -1.26 -5.06 115.29 112.21 1jd1 s HIS 101 Ca -0.12 -0.24 0.04 0.00 0.25 0.00 0.00 55.06 54.99 1jd1 s HIS 101 Cb 0.14 -2.27 0.11 0.00 -1.18 0.00 0.00 32.58 29.38 1jd1 s HIS 101 CO 0.85 -0.28 0.10 0.15 -0.65 0.00 0.00 174.74 174.91 1jd1 s LYS 102 N 1.61 1.53 0.91 2.88 1.02 -1.26 -4.48 119.74 121.94 1jd1 s LYS 102 Ca 0.06 -1.99 -0.11 0.00 0.02 0.00 0.00 55.97 53.96 1jd1 s LYS 102 Cb -0.15 -3.12 0.14 0.00 -0.52 0.00 0.00 37.83 34.17 1jd1 s LYS 102 CO 0.06 -0.99 1.11 -2.14 -0.92 0.00 0.00 175.35 172.48 1jd1 s PRO 103 N 0.68 1.13 0.73 -1.68 0.02 -1.26 -4.98 135.00 129.63 1jd1 s PRO 103 Ca 0.12 1.30 -0.13 0.00 0.02 0.00 0.00 61.00 62.31 1jd1 s PRO 103 Cb -0.21 -1.76 0.04 0.00 0.02 0.00 0.00 34.50 32.59 1jd1 s PRO 103 CO -0.07 -2.47 1.13 0.00 -0.33 0.00 0.00 177.00 175.25 1jd1 s ALA 104 N -2.72 2.24 0.02 -1.55 0.00 -0.37 -4.85 121.76 114.53 1jd1 s ALA 104 Ca 0.65 0.55 -0.22 0.00 0.00 0.00 0.00 51.96 52.95 1jd1 s ALA 104 Cb -0.21 -3.35 0.05 0.00 0.00 0.00 0.00 23.12 19.60 1jd1 s ALA 104 CO 0.58 -1.68 0.49 0.50 0.00 0.00 0.00 175.76 175.65 1jd1 s ARG 105 N -4.31 0.97 0.04 0.00 3.52 -1.26 -1.05 118.95 116.86 1jd1 s ARG 105 Ca 0.67 -0.18 0.02 0.00 -0.13 0.00 0.00 55.73 56.11 1jd1 s ARG 105 Cb -0.22 0.44 -0.02 0.00 -1.56 0.00 0.00 34.95 33.59 1jd1 s ARG 105 CO 0.48 -0.33 -0.08 -1.12 -0.81 0.00 0.00 175.30 173.44 1jd1 s SER 106 N -1.77 0.82 -0.11 -2.12 0.01 -0.82 -4.97 113.70 104.73 1jd1 s SER 106 Ca -0.07 -0.54 -0.06 0.00 1.31 0.00 0.00 55.95 56.59 1jd1 s SER 106 Cb -0.01 0.04 0.05 0.00 0.21 0.00 0.00 66.02 66.30 1jd1 s SER 106 CO 0.01 -0.20 0.25 0.00 0.41 0.00 0.00 173.24 173.71 1jd1 s VAL 108 N 1.23 0.18 -0.21 0.00 -7.23 -0.77 -5.00 120.40 108.60 1jd1 s VAL 108 Ca -0.09 -1.58 -0.05 0.00 -1.81 0.00 0.00 61.98 58.44 1jd1 s VAL 108 Cb -0.10 -1.50 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 1jd1 s VAL 108 CO -0.08 -0.82 0.01 0.00 -0.31 0.00 0.00 175.10 173.89 1jd1 s ALA 109 N -3.91 3.03 0.56 1.32 0.00 -1.26 -0.74 121.76 120.76 1jd1 s ALA 109 Ca 0.08 -1.03 0.09 0.00 0.00 0.00 0.00 51.96 51.10 1jd1 s ALA 109 Cb 0.07 -1.81 0.07 0.00 0.00 0.00 0.00 23.12 21.45 1jd1 s ALA 109 CO -0.09 -0.24 0.72 0.14 0.00 0.00 0.00 175.76 176.29 1jd1 s VAL 110 N 1.15 2.13 0.00 0.00 -7.23 0.71 -4.91 120.40 112.25 1jd1 s VAL 110 Ca 0.03 -1.08 -0.21 0.00 -1.81 0.00 0.00 61.98 58.91 1jd1 s VAL 110 Cb -0.14 -2.20 -0.20 0.00 0.56 0.00 0.00 36.38 34.39 1jd1 s VAL 110 CO 0.01 0.00 1.16 0.00 -0.31 0.00 0.00 175.10 175.96 1jd1 h ALA 111 N 0.30 0.12 -2.74 1.32 0.00 -1.89 -3.42 119.26 112.95 1jd1 h ALA 111 Ca -0.31 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.10 1jd1 h ALA 111 Cb 1.29 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.94 1jd1 h ALA 111 CO 0.44 0.20 0.14 0.00 0.00 0.00 0.00 179.25 180.03 1jd1 s ALA 112 N -3.54 -1.50 0.23 0.00 0.00 -1.26 -5.01 121.76 110.69 1jd1 s ALA 112 Ca -0.14 0.56 0.06 0.00 0.00 0.00 0.00 51.96 52.44 1jd1 s ALA 112 Cb 0.03 0.65 -0.05 0.00 0.00 0.00 0.00 23.12 23.75 1jd1 s ALA 112 CO 0.78 -0.65 -0.08 -0.51 0.00 0.00 0.00 175.76 175.30 1jd1 s LEU 113 N -2.39 2.46 0.37 0.00 1.43 -1.26 -5.07 118.68 114.21 1jd1 s LEU 113 Ca -0.02 -1.12 -0.27 0.00 -1.03 0.00 0.00 54.13 51.69 1jd1 s LEU 113 Cb -0.00 -0.55 -0.12 0.00 0.03 0.00 0.00 46.19 45.55 1jd1 s LEU 113 CO -0.08 -0.32 1.24 -2.65 0.23 0.00 0.00 176.35 174.77 1jd1 n PRO 114 N -0.45 1.94 -1.19 1.29 -0.02 -1.26 -1.71 135.00 133.60 1jd1 n PRO 114 Ca -0.07 0.68 -0.07 0.00 -2.02 0.00 0.00 63.50 62.03 1jd1 n PRO 114 Cb 0.62 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 1jd1 n PRO 114 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1jd1 n LEU 115 N 0.62 -0.01 -1.07 2.45 4.77 -1.26 -2.84 117.00 119.66 1jd1 n LEU 115 Ca 0.06 0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 56.07 1jd1 n LEU 115 Cb 0.37 -2.19 -0.05 0.00 -2.33 0.00 0.00 43.42 39.22 1jd1 n LEU 115 CO 0.61 -0.82 -0.13 0.61 -1.33 0.00 0.00 177.39 176.33 1jd1 n GLY 116 N -0.29 1.11 3.74 -0.72 0.00 -0.70 -5.01 105.19 103.33 1jd1 n GLY 116 Ca -0.07 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 1jd1 n GLY 116 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jd1 s VAL 117 N -2.51 2.81 -1.08 1.61 -7.23 -1.13 -4.91 120.40 107.96 1jd1 s VAL 117 Ca 0.00 0.26 0.27 0.00 -1.81 0.00 0.00 61.98 60.70 1jd1 s VAL 117 Cb 0.00 -2.80 0.16 0.00 0.56 0.00 0.00 36.38 34.30 1jd1 s VAL 117 CO 0.00 -0.34 1.68 0.47 -0.31 0.00 0.00 175.10 176.59 1jd1 n ASP 118 N -3.75 0.30 -3.53 4.85 8.00 -1.26 -4.44 116.55 116.71 1jd1 n ASP 118 Ca 0.07 0.01 -0.08 0.00 0.71 0.00 0.00 54.79 55.50 1jd1 n ASP 118 Cb 0.55 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.53 1jd1 n ASP 118 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jd1 s MET 119 N -2.93 0.70 -0.06 -1.24 0.23 -1.26 -1.05 119.30 113.68 1jd1 s MET 119 Ca 0.14 -0.19 -0.03 0.00 -1.03 0.00 0.00 55.69 54.59 1jd1 s MET 119 Cb 0.18 0.32 0.03 0.00 -1.53 0.00 0.00 34.83 33.84 1jd1 s MET 119 CO 0.60 -0.29 0.15 -2.00 -2.03 0.00 0.00 175.02 171.45 1jd1 s GLU 120 N -2.62 0.11 -0.06 3.16 2.12 0.01 -4.21 118.70 117.21 1jd1 s GLU 120 Ca 0.04 0.34 0.03 0.00 0.36 0.00 0.00 54.97 55.75 1jd1 s GLU 120 Cb -0.01 -0.13 0.01 0.00 0.26 0.00 0.00 34.13 34.26 1jd1 s GLU 120 CO -0.06 -0.14 -0.15 1.41 -0.54 0.00 0.00 175.26 175.78 1jd1 s MET 121 N 0.96 1.78 0.35 4.30 -2.45 -0.42 -0.44 119.30 123.38 1jd1 s MET 121 Ca -0.07 -0.51 0.06 0.00 -1.25 0.00 0.00 55.69 53.92 1jd1 s MET 121 Cb -0.09 -1.49 -0.07 0.00 1.25 0.00 0.00 34.83 34.43 1jd1 s MET 121 CO -0.05 0.12 0.00 -1.83 1.05 0.00 0.00 175.02 174.32 1jd1 s GLU 122 N 0.37 1.76 0.26 4.11 -1.05 -0.50 -0.03 118.70 123.63 1jd1 s GLU 122 Ca -0.10 -1.97 -0.21 0.00 -0.15 0.00 0.00 54.97 52.54 1jd1 s GLU 122 Cb -0.14 -1.29 0.03 0.00 -0.44 0.00 0.00 34.13 32.29 1jd1 s GLU 122 CO 0.03 -0.06 0.72 0.00 0.95 0.00 0.00 175.26 176.90 1jd1 s ALA 123 N -2.96 -1.29 -0.02 -0.84 0.00 -1.24 -1.83 121.76 113.58 1jd1 s ALA 123 Ca 0.34 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.13 1jd1 s ALA 123 Cb 0.08 0.84 0.00 0.00 0.00 0.00 0.00 23.12 24.04 1jd1 s ALA 123 CO 0.16 -1.01 -0.08 0.42 0.00 0.00 0.00 175.76 175.25 1jd1 s ILE 124 N -3.86 0.73 0.14 0.00 1.01 0.18 -1.02 121.20 118.39 1jd1 s ILE 124 Ca 0.10 -0.33 -0.00 0.00 0.00 0.00 0.00 60.65 60.42 1jd1 s ILE 124 Cb -0.05 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 1jd1 s ILE 124 CO 0.05 0.23 0.03 0.00 0.00 0.00 0.00 174.94 175.25 1jd1 s ALA 125 N 0.20 1.01 -0.12 9.38 0.00 0.08 -0.13 121.76 132.17 1jd1 s ALA 125 Ca -0.03 -1.50 -0.07 0.00 0.00 0.00 0.00 51.96 50.36 1jd1 s ALA 125 Cb -0.08 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 1jd1 s ALA 125 CO 0.00 -0.43 0.12 0.00 0.00 0.00 0.00 175.76 175.46 1jd1 s ALA 126 N -3.91 3.80 0.45 0.00 0.00 -0.09 -0.03 121.76 121.98 1jd1 s ALA 126 Ca 0.23 -0.66 -0.22 0.00 0.00 0.00 0.00 51.96 51.31 1jd1 s ALA 126 Cb 0.07 -1.94 -0.08 0.00 0.00 0.00 0.00 23.12 21.17 1jd1 s ALA 126 CO 0.02 0.57 1.09 -2.00 0.00 0.00 0.00 175.76 175.44 1jd1 s GLU 127 N -0.88 3.87 0.00 0.00 2.12 -0.05 -4.67 118.70 119.10 1jd1 s GLU 127 Ca 0.14 1.57 0.00 0.00 0.36 0.00 0.00 54.97 57.04 1jd1 s GLU 127 Cb -0.12 -2.34 0.00 0.00 0.26 0.00 0.00 34.13 31.93 1jd1 s GLU 127 CO 0.03 -0.41 0.00 2.89 -0.54 0.00 0.00 175.26 177.23