#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrp s GLU 2 N 0.00 3.08 -0.03 3.17 2.12 -1.26 -5.06 118.70 120.72 2jrp s GLU 2 Ca 0.00 -0.84 -0.30 0.00 0.36 0.00 0.00 54.97 54.19 2jrp s GLU 2 Cb 0.00 -2.42 -0.03 0.00 0.26 0.00 0.00 34.13 31.94 2jrp s GLU 2 CO 0.00 0.08 1.08 0.96 -0.54 0.00 0.00 175.26 176.84 2jrp s ILE 3 N 0.60 4.56 0.20 -3.70 -5.25 -1.26 -4.99 121.20 111.35 2jrp s ILE 3 Ca -0.12 1.84 0.09 0.00 -0.99 0.00 0.00 60.65 61.48 2jrp s ILE 3 Cb -0.16 -4.18 -0.04 0.00 2.95 0.00 0.00 42.46 41.02 2jrp s ILE 3 CO 0.03 0.08 -0.11 0.42 -1.79 0.00 0.00 174.94 173.57 2jrp s THR 4 N 1.54 3.08 -0.38 8.37 -4.23 -1.26 -1.20 115.64 121.55 2jrp s THR 4 Ca 0.53 -1.79 -0.29 0.00 -1.18 0.00 0.00 61.69 58.96 2jrp s THR 4 Cb -0.23 -2.54 0.01 0.00 1.34 0.00 0.00 72.50 71.08 2jrp s THR 4 CO 0.24 -0.17 1.34 0.00 -0.54 0.00 0.00 174.62 175.49 2jrp h PRO 6 N 10.03 0.00 -0.00 0.00 0.13 -1.98 0.57 132.00 140.76 2jrp h PRO 6 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2jrp h PRO 6 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2jrp h PRO 6 CO 1.07 0.00 -0.51 1.55 -0.23 0.00 0.00 178.00 179.89 2jrp n VAL 7 N -3.88 0.00 0.00 1.56 3.14 -1.26 -4.26 118.33 113.63 2jrp n VAL 7 Ca -0.01 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 2jrp n VAL 7 Cb 0.18 0.59 0.00 0.00 -1.06 0.00 0.00 33.84 33.55 2jrp n VAL 7 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jrp n HIS 9 N -1.06 0.00 -3.93 0.00 -0.00 0.18 -4.96 115.22 105.44 2jrp n HIS 9 Ca 0.00 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.88 2jrp n HIS 9 Cb 0.00 -1.93 -0.04 0.00 -0.12 0.00 0.00 29.99 27.90 2jrp n HIS 9 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jrp s HIS 10 N -1.59 3.49 0.19 1.57 3.76 -1.25 -4.87 115.29 116.59 2jrp s HIS 10 Ca 0.00 0.22 -0.30 0.00 -0.15 0.00 0.00 55.06 54.83 2jrp s HIS 10 Cb 0.00 -1.74 -0.08 0.00 1.11 0.00 0.00 32.58 31.87 2jrp s HIS 10 CO 0.00 0.58 1.17 0.00 -0.85 0.00 0.00 174.74 175.63 2jrp s ALA 11 N -1.54 3.42 -0.29 -1.40 0.00 -1.26 -0.43 121.76 120.25 2jrp s ALA 11 Ca 0.35 0.91 -0.25 0.00 0.00 0.00 0.00 51.96 52.97 2jrp s ALA 11 Cb -0.13 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2jrp s ALA 11 CO 0.28 -0.32 0.86 -0.51 0.00 0.00 0.00 175.76 176.07 2jrp s LEU 12 N -0.33 4.06 -0.12 0.00 1.43 -0.34 -4.76 118.68 118.62 2jrp s LEU 12 Ca 0.51 0.84 -0.29 0.00 -1.03 0.00 0.00 54.13 54.16 2jrp s LEU 12 Cb -0.32 -3.21 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 2jrp s LEU 12 CO 0.36 -0.65 1.48 -0.70 0.23 0.00 0.00 176.35 177.07 2jrp s GLU 13 N 3.08 4.17 -0.42 1.70 2.12 -0.50 -4.62 118.70 124.23 2jrp s GLU 13 Ca 0.36 1.91 -0.26 0.00 0.36 0.00 0.00 54.97 57.33 2jrp s GLU 13 Cb -0.14 -3.89 0.02 0.00 0.26 0.00 0.00 34.13 30.38 2jrp s GLU 13 CO 0.12 -0.82 0.97 0.50 -0.54 0.00 0.00 175.26 175.48 2jrp s ARG 14 N 3.85 3.70 0.12 4.30 3.52 -1.26 -0.95 118.95 132.24 2jrp s ARG 14 Ca 0.65 0.42 0.26 0.00 -0.13 0.00 0.00 55.73 56.93 2jrp s ARG 14 Cb -0.27 -3.87 0.97 0.00 -1.56 0.00 0.00 34.95 30.22 2jrp s ARG 14 CO 0.23 -1.13 1.81 0.09 -0.81 0.00 0.00 175.30 175.48 2jrp n ASN 15 N 7.12 0.44 0.00 -2.12 3.02 0.37 -4.95 115.26 119.13 2jrp n ASN 15 Ca 0.08 0.55 0.00 0.00 -0.03 0.00 0.00 54.58 55.18 2jrp n ASN 15 Cb 0.48 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 2jrp n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jrp n GLY 16 N 1.17 1.60 0.05 7.41 0.00 -1.26 -4.81 105.19 109.35 2jrp n GLY 16 Ca 0.06 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.82 2jrp n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jrp n ASP 17 N 0.00 0.65 -3.98 1.61 9.92 -1.26 -4.90 116.55 118.60 2jrp n ASP 17 Ca 0.00 0.04 -0.12 0.00 -0.53 0.00 0.00 54.79 54.18 2jrp n ASP 17 Cb 0.00 0.24 -0.12 0.00 -0.64 0.00 0.00 41.12 40.59 2jrp n ASP 17 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2jrp s THR 18 N -3.15 0.26 -0.06 -3.53 2.01 -1.26 -3.07 115.64 106.85 2jrp s THR 18 Ca 0.07 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.42 2jrp s THR 18 Cb 0.14 -0.32 -0.03 0.00 0.01 0.00 0.00 72.50 72.30 2jrp s THR 18 CO 0.72 -0.26 -0.08 0.00 -0.69 0.00 0.00 174.62 174.32 2jrp s ALA 19 N -0.91 2.96 -0.07 7.40 0.00 0.40 -0.48 121.76 131.05 2jrp s ALA 19 Ca -0.08 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 50.99 2jrp s ALA 19 Cb -0.07 -1.19 0.01 0.00 0.00 0.00 0.00 23.12 21.88 2jrp s ALA 19 CO -0.00 0.58 -0.13 -1.58 0.00 0.00 0.00 175.76 174.62 2jrp s HIS 20 N -0.83 1.58 -0.22 0.00 5.04 -0.12 0.18 115.29 120.92 2jrp s HIS 20 Ca 0.13 -0.61 -0.13 0.00 -1.54 0.00 0.00 55.06 52.91 2jrp s HIS 20 Cb -0.11 -1.15 -0.05 0.00 0.04 0.00 0.00 32.58 31.31 2jrp s HIS 20 CO 0.02 -0.31 0.26 0.00 -2.34 0.00 0.00 174.74 172.37 2jrp h GLU 22 N 7.36 0.00 -0.75 0.00 4.39 -1.89 0.38 114.58 124.07 2jrp h GLU 22 Ca -0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.32 2jrp h GLU 22 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2jrp h GLU 22 CO 0.69 0.74 0.00 0.25 -1.16 0.00 0.00 179.01 179.53 2jrp n THR 23 N -3.43 0.70 0.00 1.13 -2.24 -1.26 -4.00 114.28 105.19 2jrp n THR 23 Ca 0.00 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2jrp n THR 23 Cb 0.78 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2jrp n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jrp n ALA 25 N -1.24 -0.11 -2.42 0.00 0.00 0.13 -5.02 120.51 111.86 2jrp n ALA 25 Ca 0.00 0.11 -0.36 0.00 0.00 0.00 0.00 53.44 53.20 2jrp n ALA 25 Cb 0.00 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.33 2jrp n ALA 25 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2jrp s LYS 26 N -2.35 3.93 -0.13 0.00 1.02 -1.23 -4.93 119.74 116.05 2jrp s LYS 26 Ca 0.00 0.42 0.00 0.00 0.02 0.00 0.00 55.97 56.41 2jrp s LYS 26 Cb 0.00 -2.99 -0.01 0.00 -0.52 0.00 0.00 37.83 34.31 2jrp s LYS 26 CO 0.00 0.53 -0.14 -0.51 -0.92 0.00 0.00 175.35 174.31 2jrp s ASP 27 N -1.64 3.94 -0.09 2.83 1.01 -1.26 -2.05 116.67 119.41 2jrp s ASP 27 Ca 0.35 -0.34 0.01 0.00 0.71 0.00 0.00 52.55 53.27 2jrp s ASP 27 Cb -0.15 -1.60 -0.03 0.00 1.01 0.00 0.00 42.92 42.16 2jrp s ASP 27 CO 0.18 0.17 -0.10 -0.36 0.21 0.00 0.00 175.17 175.27 2jrp s PHE 28 N 0.35 2.86 0.14 4.23 0.08 0.13 -4.93 117.98 120.83 2jrp s PHE 28 Ca -0.12 -0.22 -0.29 0.00 0.12 0.00 0.00 56.93 56.43 2jrp s PHE 28 Cb -0.16 -1.75 -0.07 0.00 -0.57 0.00 0.00 43.02 40.47 2jrp s PHE 28 CO 0.06 0.12 0.92 -1.54 -0.10 0.00 0.00 175.22 174.68 2jrp s SER 29 N -0.37 7.50 -0.12 1.36 1.04 -1.26 -0.46 113.70 121.39 2jrp s SER 29 Ca 0.05 1.79 -0.01 0.00 0.48 0.00 0.00 55.95 58.25 2jrp s SER 29 Cb -0.12 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.40 2jrp s SER 29 CO 0.02 0.02 -0.08 -0.76 0.98 0.00 0.00 173.24 173.42 2jrp s LEU 30 N -0.41 3.01 -0.08 2.42 1.43 -1.17 -3.00 118.68 120.87 2jrp s LEU 30 Ca 0.44 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 2jrp s LEU 30 Cb -0.24 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 2jrp s LEU 30 CO 0.29 0.22 -0.10 -1.10 0.23 0.00 0.00 176.35 175.89 2jrp s GLN 31 N 0.05 2.91 -0.37 1.70 1.11 0.20 -4.92 119.66 120.34 2jrp s GLN 31 Ca -0.02 -0.62 -0.25 0.00 0.01 0.00 0.00 55.36 54.47 2jrp s GLN 31 Cb -0.14 -2.56 0.01 0.00 -1.01 0.00 0.00 33.01 29.31 2jrp s GLN 31 CO 0.03 0.51 0.89 0.00 0.01 0.00 0.00 175.29 176.73 2jrp s ALA 32 N -0.41 3.41 0.06 6.09 0.00 -1.26 -1.43 121.76 128.22 2jrp s ALA 32 Ca 0.05 -0.51 0.05 0.00 0.00 0.00 0.00 51.96 51.56 2jrp s ALA 32 Cb -0.12 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 2jrp s ALA 32 CO 0.02 -1.57 -0.07 -0.51 0.00 0.00 0.00 175.76 173.63 2jrp s LEU 33 N 3.37 3.14 0.14 0.00 1.02 -0.36 -4.65 118.68 121.34 2jrp s LEU 33 Ca 0.36 -0.26 -0.03 0.00 0.02 0.00 0.00 54.13 54.23 2jrp s LEU 33 Cb -0.12 -1.87 -0.05 0.00 0.02 0.00 0.00 46.19 44.17 2jrp s LEU 33 CO 0.18 0.22 0.35 0.00 0.02 0.00 0.00 176.35 177.12 2jrp h PRO 35 N 2.70 0.00 0.00 0.00 0.11 -1.99 -2.90 132.00 129.92 2jrp h PRO 35 Ca -0.46 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.38 2jrp h PRO 35 Cb 1.17 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 2jrp h PRO 35 CO 0.72 0.20 -1.51 0.38 -0.21 0.00 0.00 178.00 177.59 2jrp h ASP 36 N 0.00 0.00 -2.44 -2.05 2.03 -2.02 -3.44 116.42 108.51 2jrp h ASP 36 Ca -0.00 0.00 -0.40 0.00 -0.73 0.00 0.00 57.03 55.90 2jrp h ASP 36 Cb 0.45 0.00 -0.36 0.00 -0.83 0.00 0.00 39.33 38.59 2jrp h ASP 36 CO 0.03 0.97 -0.68 0.00 -1.03 0.00 0.00 179.24 178.53 2jrp n ARG 38 N 5.29 2.26 -3.36 0.00 1.85 -1.17 -2.50 116.66 119.04 2jrp n ARG 38 Ca -0.04 -2.08 -0.22 0.00 -1.00 0.00 0.00 57.85 54.51 2jrp n ARG 38 Cb 0.45 -2.04 0.03 0.00 -1.05 0.00 0.00 32.46 29.85 2jrp n ARG 38 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2jrp s GLN 39 N -1.46 2.36 0.00 2.89 1.11 -1.26 -4.96 119.66 118.34 2jrp s GLN 39 Ca 0.55 -1.72 0.00 0.00 0.01 0.00 0.00 55.36 54.20 2jrp s GLN 39 Cb 0.35 -2.45 0.00 0.00 -1.01 0.00 0.00 33.01 29.90 2jrp s GLN 39 CO -0.17 -0.67 0.23 -2.30 0.01 0.00 0.00 175.29 172.40 2jrp n PRO 40 N -1.99 0.23 0.00 2.91 -0.02 -1.26 -4.67 135.00 130.21 2jrp n PRO 40 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2jrp n PRO 40 Cb 0.62 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.10 2jrp n PRO 40 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2jrp n LEU 41 N -0.50 0.00 -3.42 2.45 4.77 -1.26 -3.66 117.00 115.38 2jrp n LEU 41 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 2jrp n LEU 41 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 2jrp n LEU 41 CO 0.00 0.00 -0.15 -1.58 -1.33 0.00 0.00 177.39 174.33 2jrp s GLN 42 N 0.00 0.28 -0.08 3.23 0.74 -1.25 -4.86 119.66 117.71 2jrp s GLN 42 Ca 0.00 0.20 -0.30 0.00 0.05 0.00 0.00 55.36 55.32 2jrp s GLN 42 Cb 0.00 -0.84 -0.04 0.00 1.10 0.00 0.00 33.01 33.24 2jrp s GLN 42 CO 0.00 -0.76 1.39 0.54 -0.55 0.00 0.00 175.29 175.91 2jrp s VAL 43 N 2.40 3.95 0.04 1.34 0.11 -1.24 -1.27 120.40 125.73 2jrp s VAL 43 Ca 0.09 1.22 0.06 0.00 -2.93 0.00 0.00 61.98 60.42 2jrp s VAL 43 Cb -0.15 -3.78 -0.03 0.00 -1.53 0.00 0.00 36.38 30.88 2jrp s VAL 43 CO -0.19 -0.07 -0.14 -0.76 -3.33 0.00 0.00 175.10 170.60 2jrp s LEU 44 N 3.24 2.79 -0.03 2.54 1.43 0.14 -4.97 118.68 123.82 2jrp s LEU 44 Ca 0.62 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 2jrp s LEU 44 Cb -0.27 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.34 2jrp s LEU 44 CO 0.22 0.26 -0.05 -1.59 0.23 0.00 0.00 176.35 175.41 2jrp s LYS 45 N -1.50 0.73 -0.16 1.70 -2.85 -1.26 -0.02 119.74 116.37 2jrp s LYS 45 Ca 0.16 -0.16 -0.00 0.00 -1.00 0.00 0.00 55.97 54.97 2jrp s LYS 45 Cb -0.11 -0.72 0.04 0.00 -2.06 0.00 0.00 37.83 34.98 2jrp s LYS 45 CO 0.07 0.01 -0.05 0.00 0.10 0.00 0.00 175.35 175.47 2jrp s ALA 46 N 0.51 1.47 0.00 0.59 0.00 0.49 -4.97 121.76 119.85 2jrp s ALA 46 Ca -0.07 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2jrp s ALA 46 Cb -0.10 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.91 2jrp s ALA 46 CO 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 175.76 175.01 2jrp n GLY 48 N 0.00 -0.28 3.82 0.00 0.00 -1.26 -5.07 105.19 102.40 2jrp n GLY 48 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2jrp n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jrp s ALA 49 N -0.15 3.69 0.03 4.61 0.00 -0.15 -5.05 121.76 124.73 2jrp s ALA 49 Ca 0.00 -0.85 0.08 0.00 0.00 0.00 0.00 51.96 51.19 2jrp s ALA 49 Cb 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 2jrp s ALA 49 CO 0.00 0.71 -0.25 0.14 0.00 0.00 0.00 175.76 176.36 2jrp s VAL 50 N -1.25 2.00 -0.08 0.00 -7.23 -1.26 -0.37 120.40 112.21 2jrp s VAL 50 Ca 0.25 -1.26 -0.04 0.00 -1.81 0.00 0.00 61.98 59.11 2jrp s VAL 50 Cb -0.12 -1.70 0.04 0.00 0.56 0.00 0.00 36.38 35.16 2jrp s VAL 50 CO 0.16 0.39 0.18 -0.62 -0.31 0.00 0.00 175.10 174.89 2jrp s ASP 51 N -1.05 -0.16 -0.52 4.85 2.15 0.97 -4.86 116.67 118.05 2jrp s ASP 51 Ca 0.10 0.36 -0.17 0.00 0.43 0.00 0.00 52.55 53.27 2jrp s ASP 51 Cb -0.10 0.27 0.09 0.00 -0.30 0.00 0.00 42.92 42.89 2jrp s ASP 51 CO 0.01 -0.14 0.55 -0.31 -0.17 0.00 0.00 175.17 175.12 2jrp s TYR 52 N 0.98 3.13 -0.06 -5.34 1.51 -1.26 0.25 117.35 116.56 2jrp s TYR 52 Ca -0.07 -0.91 -0.03 0.00 -1.01 0.00 0.00 57.07 55.05 2jrp s TYR 52 Cb -0.09 -3.60 0.04 0.00 -0.11 0.00 0.00 41.96 38.19 2jrp s TYR 52 CO -0.05 -1.03 0.09 0.12 -1.11 0.00 0.00 175.55 173.57 2jrp s PHE 53 N 2.15 -0.00 0.14 2.71 5.36 -0.40 -4.62 117.98 123.31 2jrp s PHE 53 Ca 0.09 0.31 -0.31 0.00 -0.96 0.00 0.00 56.93 56.06 2jrp s PHE 53 Cb -0.24 -0.43 -0.09 0.00 -0.34 0.00 0.00 43.02 41.92 2jrp s PHE 53 CO 0.07 -0.24 1.47 0.00 -1.46 0.00 0.00 175.22 175.06 2jrp n GLN 55 N 3.94 0.00 -3.20 0.00 1.13 -1.26 -3.26 117.38 114.73 2jrp n GLN 55 Ca 0.12 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.77 2jrp n GLN 55 Cb 0.41 -0.04 -0.07 0.00 0.11 0.00 0.00 30.24 30.64 2jrp n GLN 55 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2jrp s ASN 56 N -0.95 6.33 0.00 1.08 2.47 -1.26 -3.24 114.94 119.37 2jrp s ASN 56 Ca 0.00 -0.10 0.00 0.00 0.42 0.00 0.00 52.86 53.18 2jrp s ASN 56 Cb 0.00 -2.28 0.00 0.00 -1.45 0.00 0.00 41.25 37.52 2jrp s ASN 56 CO 0.00 -0.56 0.00 0.61 -3.72 0.00 0.00 177.10 173.43 2jrp n GLY 57 N 4.83 3.99 1.15 1.21 0.00 -1.26 -4.90 105.19 110.21 2jrp n GLY 57 Ca -0.04 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2jrp n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2jrp n HIS 58 N 0.00 -0.10 0.00 1.61 -0.00 -1.26 -5.17 115.22 110.30 2jrp n HIS 58 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 2jrp n HIS 58 Cb 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 29.99 30.06 2jrp n HIS 58 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jrp n GLY 59 N 3.23 1.48 3.76 1.57 0.00 -1.20 -5.00 105.19 109.03 2jrp n GLY 59 Ca 0.00 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 2jrp n GLY 59 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jrp s LEU 60 N 0.00 4.51 -0.10 0.99 0.05 -1.20 -4.17 118.68 118.76 2jrp s LEU 60 Ca 0.00 2.34 0.02 0.00 0.05 0.00 0.00 54.13 56.54 2jrp s LEU 60 Cb 0.00 -3.63 -0.01 0.00 -2.05 0.00 0.00 46.19 40.50 2jrp s LEU 60 CO 0.00 -0.26 -0.17 -0.63 -0.55 0.00 0.00 176.35 174.74 2jrp s ILE 61 N -0.93 2.74 -0.22 1.48 -1.09 -1.26 -5.04 121.20 116.87 2jrp s ILE 61 Ca 0.47 -0.79 -0.33 0.00 -2.23 0.00 0.00 60.65 57.77 2jrp s ILE 61 Cb -0.33 -2.10 -0.10 0.00 -1.58 0.00 0.00 42.46 38.35 2jrp s ILE 61 CO 0.42 0.55 2.10 -0.24 -1.23 0.00 0.00 174.94 176.54 2jrp n SER 62 N 3.26 2.94 0.00 3.58 2.88 -1.26 -4.80 113.62 120.22 2jrp n SER 62 Ca -0.18 0.54 0.02 0.00 -1.33 0.00 0.00 58.87 57.92 2jrp n SER 62 Cb 0.53 -1.39 0.12 0.00 -0.75 0.00 0.00 64.21 62.72 2jrp n SER 62 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2jrp n LYS 63 N 7.85 0.76 -0.17 -1.46 2.85 -1.26 -0.20 118.16 126.52 2jrp n LYS 63 Ca 0.31 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.69 2jrp n LYS 63 Cb 0.32 -1.08 0.23 0.00 -0.65 0.00 0.00 35.03 33.84 2jrp n LYS 63 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2jrp n LYS 64 N -0.58 2.44 0.00 -1.58 5.02 -1.26 -4.13 118.16 118.07 2jrp n LYS 64 Ca 0.03 -2.17 0.00 0.00 -2.02 0.00 0.00 58.31 54.15 2jrp n LYS 64 Cb 0.01 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 2jrp n LYS 64 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jrp n ARG 65 N 1.39 -0.59 -2.15 1.97 1.74 0.72 -5.05 116.66 114.69 2jrp n ARG 65 Ca 0.19 -0.43 -0.32 0.00 -0.77 0.00 0.00 57.85 56.52 2jrp n ARG 65 Cb 0.58 -0.93 -0.01 0.00 -1.02 0.00 0.00 32.46 31.09 2jrp n ARG 65 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2jrp s VAL 66 N -0.04 4.30 -0.55 1.55 -7.23 -1.19 -4.90 120.40 112.34 2jrp s VAL 66 Ca 0.00 1.02 -0.17 0.00 -1.81 0.00 0.00 61.98 61.02 2jrp s VAL 66 Cb 0.00 -3.61 0.12 0.00 0.56 0.00 0.00 36.38 33.45 2jrp s VAL 66 CO 0.00 -0.71 0.55 0.21 -0.31 0.00 0.00 175.10 174.83 2jrp s ASN 67 N -3.20 6.19 -0.48 4.85 3.84 -0.11 -4.88 114.94 121.15 2jrp s ASN 67 Ca 0.60 -1.70 -0.29 0.00 0.21 0.00 0.00 52.86 51.68 2jrp s ASN 67 Cb -0.12 -2.23 0.02 0.00 -0.55 0.00 0.00 41.25 38.37 2jrp s ASN 67 CO 0.38 -0.92 1.29 -0.36 -2.79 0.00 0.00 177.10 174.70 2jrp s PHE 68 N 1.86 2.55 0.11 0.43 0.08 -1.26 -1.22 117.98 120.53 2jrp s PHE 68 Ca 0.05 0.62 0.08 0.00 0.12 0.00 0.00 56.93 57.80 2jrp s PHE 68 Cb -0.29 -4.40 -0.04 0.00 -0.57 0.00 0.00 43.02 37.73 2jrp s PHE 68 CO 0.04 -1.68 -0.21 0.54 -0.10 0.00 0.00 175.22 173.81 2jrp s VAL 69 N 5.14 1.71 -0.48 -0.44 0.11 -0.52 -4.89 120.40 121.03 2jrp s VAL 69 Ca 0.53 -1.56 -0.28 0.00 -2.93 0.00 0.00 61.98 57.73 2jrp s VAL 69 Cb -0.10 -1.57 0.01 0.00 -1.53 0.00 0.00 36.38 33.19 2jrp s VAL 69 CO 0.30 -0.08 1.39 -0.63 -3.33 0.00 0.00 175.10 172.76 2jrp s ILE 70 N -1.21 3.88 0.32 7.04 1.01 -1.26 -0.63 121.20 130.35 2jrp s ILE 70 Ca 0.07 0.84 0.08 0.00 0.00 0.00 0.00 60.65 61.64 2jrp s ILE 70 Cb -0.10 -4.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.01 2jrp s ILE 70 CO 0.04 -0.95 0.27 -0.24 0.00 0.00 0.00 174.94 174.07 2jrp n SER 71 N 9.07 -0.69 -3.52 3.58 2.88 -1.16 -4.99 113.62 118.80 2jrp n SER 71 Ca 0.14 -3.12 -0.12 0.00 -1.33 0.00 0.00 58.87 54.45 2jrp n SER 71 Cb 0.49 1.62 0.02 0.00 -0.75 0.00 0.00 64.21 65.58 2jrp n SER 71 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2jrp n ASP 72 N -1.73 1.53 -0.09 -3.46 -0.08 -1.26 -4.68 116.55 106.79 2jrp n ASP 72 Ca 0.08 -1.91 -0.15 0.00 -1.51 0.00 0.00 54.79 51.30 2jrp n ASP 72 Cb 0.58 -0.12 -0.08 0.00 2.34 0.00 0.00 41.12 43.84 2jrp n ASP 72 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2jrp h GLN 73 N 0.00 0.00 -3.41 -0.67 1.08 -2.02 -3.49 115.11 106.60 2jrp h GLN 73 Ca -0.16 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 56.88 2jrp h GLN 73 Cb 0.66 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 27.87 2jrp h GLN 73 CO 0.25 0.68 -0.48 -0.51 -0.95 0.00 0.00 178.83 177.82 2jrp s LEU 74 N -8.06 1.43 -0.38 1.46 1.43 -1.26 -4.85 118.68 108.46 2jrp s LEU 74 Ca -0.22 -0.00 -0.28 0.00 -1.03 0.00 0.00 54.13 52.61 2jrp s LEU 74 Cb 0.03 0.69 0.02 0.00 0.03 0.00 0.00 46.19 46.96 2jrp s LEU 74 CO 0.47 -0.27 1.03 -0.70 0.23 0.00 0.00 176.35 177.11 2jrp s GLU 75 N -0.89 3.88 0.22 1.70 2.56 -1.26 -4.76 118.70 120.14 2jrp s GLU 75 Ca -0.10 0.73 0.00 0.00 0.00 0.00 0.00 54.97 55.60 2jrp s GLU 75 Cb -0.05 -3.81 0.00 0.00 2.00 0.00 0.00 34.13 32.27 2jrp s GLU 75 CO 0.01 -1.05 0.00 0.72 -0.56 0.00 0.00 175.26 174.38 2jrp n HIS 76 N 7.08 -1.60 0.00 5.30 8.25 -1.26 -5.07 115.22 127.92 2jrp n HIS 76 Ca 0.10 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.84 2jrp n HIS 76 Cb 0.48 0.37 0.00 0.00 1.12 0.00 0.00 29.99 31.96 2jrp n HIS 76 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jrp n HIS 77 N -3.49 0.00 0.00 4.41 8.25 -1.26 -4.57 115.22 118.57 2jrp n HIS 77 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2jrp n HIS 77 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2jrp n HIS 77 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jrp n HIS 78 N 0.00 0.00 0.15 4.41 -0.00 -1.26 -5.09 115.22 113.43 2jrp n HIS 78 Ca 0.00 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.07 2jrp n HIS 78 Cb 0.00 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 29.81 2jrp n HIS 78 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2jrp h HIS 79 N 0.00 -0.88 0.00 1.57 2.76 -2.05 -3.44 115.15 113.11 2jrp h HIS 79 Ca 0.00 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2jrp h HIS 79 Cb 0.00 0.35 0.00 0.00 1.55 0.00 0.00 27.41 29.31 2jrp h HIS 79 CO 0.00 -0.40 0.00 1.58 -1.30 0.00 0.00 177.93 177.81 2jrp n HIS 80 N -4.26 0.00 -1.34 5.26 -0.00 -1.26 -5.28 115.22 108.34 2jrp n HIS 80 Ca -0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.11 2jrp n HIS 80 Cb 0.27 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.14 2jrp n HIS 80 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38