#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 3.42 -0.38 2.12 8.01 -1.26 -5.07 118.70 125.54 2jrp s GLU 2 Ca 0.00 -0.60 -0.27 0.00 0.01 0.00 0.00 54.97 54.11 2jrp s GLU 2 Cb 0.00 -2.74 0.02 0.00 -4.31 0.00 0.00 34.13 27.09 2jrp s GLU 2 CO 0.00 0.29 1.01 0.96 0.01 0.00 0.00 175.26 177.53 2jrp s ILE 3 N 0.19 4.48 -0.11 -1.63 -4.36 -1.26 -5.01 121.20 113.51 2jrp s ILE 3 Ca -0.05 1.33 0.01 0.00 -0.26 0.00 0.00 60.65 61.68 2jrp s ILE 3 Cb -0.14 -4.42 -0.02 0.00 1.25 0.00 0.00 42.46 39.13 2jrp s ILE 3 CO 0.04 -0.63 -0.15 -0.89 0.24 0.00 0.00 174.94 173.55 2jrp s THR 4 N 3.74 2.90 0.22 8.37 2.01 -1.26 0.71 115.64 132.32 2jrp s THR 4 Ca 0.42 -0.73 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 2jrp s THR 4 Cb -0.11 -2.18 -0.09 0.00 0.01 0.00 0.00 72.50 70.13 2jrp s THR 4 CO 0.21 0.54 1.28 0.00 -0.69 0.00 0.00 174.62 175.96 2jrp n PRO 6 N 2.22 0.00 0.21 0.00 -0.04 -1.26 -1.05 135.00 135.08 2jrp n PRO 6 Ca 0.04 0.27 0.07 0.00 -0.04 0.00 0.00 63.50 63.84 2jrp n PRO 6 Cb 0.43 -1.10 0.47 0.00 -0.04 0.00 0.00 33.50 33.26 2jrp n PRO 6 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2jrp h VAL 7 N 0.00 0.89 -0.33 0.52 -1.51 -2.01 -2.51 116.25 111.30 2jrp h VAL 7 Ca 0.00 -1.12 0.00 0.00 -1.23 0.00 0.00 66.70 64.35 2jrp h VAL 7 Cb 0.00 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 30.83 2jrp h VAL 7 CO 0.00 0.28 0.00 0.00 -1.23 0.00 0.00 177.57 176.62 2jrp n HIS 9 N 1.06 -0.01 0.00 0.00 -0.00 -0.22 -4.85 115.22 111.19 2jrp n HIS 9 Ca 0.15 0.01 0.00 0.00 0.46 0.00 0.00 57.72 58.34 2jrp n HIS 9 Cb 0.49 -0.40 0.00 0.00 -0.12 0.00 0.00 29.99 29.96 2jrp n HIS 9 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jrp n HIS 10 N 0.80 0.00 -1.81 1.57 -0.00 -1.21 -4.93 115.22 109.64 2jrp n HIS 10 Ca -0.00 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.77 2jrp n HIS 10 Cb 0.20 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.06 2jrp n HIS 10 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jrp s ALA 11 N -2.00 3.64 0.29 1.57 0.00 -1.26 -0.09 121.76 123.90 2jrp s ALA 11 Ca 0.00 1.55 -0.02 0.00 0.00 0.00 0.00 51.96 53.50 2jrp s ALA 11 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 2jrp s ALA 11 CO 0.00 -1.00 0.51 -0.51 0.00 0.00 0.00 175.76 174.76 2jrp s LEU 12 N -1.42 4.08 -0.07 0.00 1.43 0.22 -2.07 118.68 120.85 2jrp s LEU 12 Ca 0.57 0.54 0.04 0.00 -1.03 0.00 0.00 54.13 54.24 2jrp s LEU 12 Cb -0.47 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.40 2jrp s LEU 12 CO 0.56 -0.20 -0.20 -0.70 0.23 0.00 0.00 176.35 176.05 2jrp s GLU 13 N -3.80 2.37 -1.06 1.70 2.12 0.39 -4.78 118.70 115.64 2jrp s GLU 13 Ca 0.41 -0.71 -0.20 0.00 0.36 0.00 0.00 54.97 54.83 2jrp s GLU 13 Cb -0.10 -1.90 0.09 0.00 0.26 0.00 0.00 34.13 32.47 2jrp s GLU 13 CO 0.32 0.18 1.41 0.50 -0.54 0.00 0.00 175.26 177.14 2jrp s ARG 14 N 0.29 3.70 -0.56 4.30 3.52 -1.26 -1.01 118.95 127.94 2jrp s ARG 14 Ca -0.13 -1.57 -0.26 0.00 -0.13 0.00 0.00 55.73 53.65 2jrp s ARG 14 Cb -0.16 -5.25 0.04 0.00 -1.56 0.00 0.00 34.95 28.02 2jrp s ARG 14 CO 0.06 -2.07 1.04 1.21 -0.81 0.00 0.00 175.30 174.73 2jrp s ASN 15 N 4.31 6.39 0.80 -2.12 3.84 0.56 -4.68 114.94 124.04 2jrp s ASN 15 Ca 0.44 -0.14 0.00 0.00 0.21 0.00 0.00 52.86 53.37 2jrp s ASN 15 Cb -0.01 -2.48 0.00 0.00 -0.55 0.00 0.00 41.25 38.21 2jrp s ASN 15 CO -0.06 -1.31 0.00 0.61 -2.79 0.00 0.00 177.10 173.55 2jrp n GLY 16 N 5.08 0.98 0.32 1.21 0.00 -1.26 -1.09 105.19 110.43 2jrp n GLY 16 Ca 0.05 0.36 0.03 0.00 0.00 0.00 0.00 46.02 46.46 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 8.16 0.84 -4.71 1.61 8.00 -1.26 -5.07 116.55 124.13 2jrp n ASP 17 Ca 0.00 -2.32 -0.27 0.00 0.71 0.00 0.00 54.79 52.91 2jrp n ASP 17 Cb 0.00 -0.26 -0.07 0.00 -0.02 0.00 0.00 41.12 40.77 2jrp n ASP 17 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2jrp s THR 18 N -1.00 4.03 -0.42 -3.53 2.01 -0.25 -4.38 115.64 112.11 2jrp s THR 18 Ca 0.11 -1.23 -0.05 0.00 0.31 0.00 0.00 61.69 60.82 2jrp s THR 18 Cb 0.09 -3.02 0.11 0.00 0.01 0.00 0.00 72.50 69.69 2jrp s THR 18 CO 0.01 -0.07 0.24 0.00 -0.69 0.00 0.00 174.62 174.11 2jrp s ALA 19 N -1.67 3.22 -0.13 7.40 0.00 -0.72 -0.32 121.76 129.55 2jrp s ALA 19 Ca 0.28 -2.45 -0.09 0.00 0.00 0.00 0.00 51.96 49.71 2jrp s ALA 19 Cb -0.10 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 2jrp s ALA 19 CO 0.20 -1.78 0.18 -1.58 0.00 0.00 0.00 175.76 172.78 2jrp s HIS 20 N 1.24 3.56 0.03 0.00 5.04 -0.18 -0.14 115.29 124.84 2jrp s HIS 20 Ca 0.06 0.54 -0.30 0.00 -1.54 0.00 0.00 55.06 53.82 2jrp s HIS 20 Cb -0.24 -2.05 -0.04 0.00 0.04 0.00 0.00 32.58 30.30 2jrp s HIS 20 CO -0.02 0.60 1.00 0.00 -2.34 0.00 0.00 174.74 173.98 2jrp h GLU 22 N 6.54 0.56 -0.65 0.00 4.22 -1.73 -2.94 114.58 120.57 2jrp h GLU 22 Ca -0.41 -0.23 0.00 0.00 0.08 0.00 0.00 59.36 58.80 2jrp h GLU 22 Cb 1.22 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2jrp h GLU 22 CO 0.75 0.78 0.00 0.25 -2.18 0.00 0.00 179.01 178.61 2jrp n THR 23 N -4.10 1.04 -3.81 0.32 -2.24 -1.26 -4.94 114.28 99.29 2jrp n THR 23 Ca -0.00 -0.91 -0.12 0.00 -2.27 0.00 0.00 64.05 60.74 2jrp n THR 23 Cb 0.43 0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 68.91 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 2.06 5.96 -2.58 0.00 0.00 -1.26 -4.23 120.51 120.46 2jrp n ALA 25 Ca -0.18 -1.52 -0.22 0.00 0.00 0.00 0.00 53.44 51.52 2jrp n ALA 25 Cb 0.57 -2.11 -0.15 0.00 0.00 0.00 0.00 19.45 17.76 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 0.86 1.09 -0.09 0.00 1.02 -1.26 -5.04 119.74 116.30 2jrp s LYS 26 Ca 0.56 -0.49 -0.07 0.00 0.02 0.00 0.00 55.97 55.99 2jrp s LYS 26 Cb 0.27 -1.05 0.03 0.00 -0.52 0.00 0.00 37.83 36.55 2jrp s LYS 26 CO 0.00 0.29 0.23 0.16 -0.92 0.00 0.00 175.35 175.11 2jrp s ASP 27 N -0.33 -0.24 0.23 2.83 1.47 -1.26 0.14 116.67 119.50 2jrp s ASP 27 Ca 0.05 0.48 0.09 0.00 1.18 0.00 0.00 52.55 54.35 2jrp s ASP 27 Cb -0.05 0.45 -0.04 0.00 -0.34 0.00 0.00 42.92 42.93 2jrp s ASP 27 CO -0.00 -0.10 -0.02 -0.36 0.68 0.00 0.00 175.17 175.36 2jrp s PHE 28 N 0.44 2.71 -0.02 2.11 0.08 0.80 -4.90 117.98 119.20 2jrp s PHE 28 Ca -0.03 -0.21 -0.27 0.00 0.12 0.00 0.00 56.93 56.55 2jrp s PHE 28 Cb -0.04 -1.25 -0.04 0.00 -0.57 0.00 0.00 43.02 41.13 2jrp s PHE 28 CO -0.02 0.58 0.83 -1.54 -0.10 0.00 0.00 175.22 174.97 2jrp s SER 29 N -3.37 7.19 -0.11 1.36 1.04 -1.26 -1.75 113.70 116.80 2jrp s SER 29 Ca 0.29 1.44 -0.07 0.00 0.48 0.00 0.00 55.95 58.09 2jrp s SER 29 Cb -0.07 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 2jrp s SER 29 CO 0.19 -0.16 0.14 -0.76 0.98 0.00 0.00 173.24 173.63 2jrp s LEU 30 N 0.74 4.38 -0.15 2.42 1.43 -1.26 -4.24 118.68 122.00 2jrp s LEU 30 Ca 0.44 0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 53.98 2jrp s LEU 30 Cb -0.20 -2.11 0.04 0.00 0.03 0.00 0.00 46.19 43.96 2jrp s LEU 30 CO 0.23 0.40 -0.02 -1.10 0.23 0.00 0.00 176.35 176.09 2jrp s GLN 31 N -1.09 1.06 -0.92 1.70 -0.21 0.55 -4.94 119.66 115.81 2jrp s GLN 31 Ca 0.16 -0.35 -0.24 0.00 0.02 0.00 0.00 55.36 54.95 2jrp s GLN 31 Cb -0.12 -1.79 -0.06 0.00 1.00 0.00 0.00 33.01 32.04 2jrp s GLN 31 CO 0.05 -0.45 1.97 0.00 -2.12 0.00 0.00 175.29 174.74 2jrp s ALA 32 N 1.77 1.62 0.36 6.09 0.00 -1.26 -1.37 121.76 128.96 2jrp s ALA 32 Ca 0.01 -1.53 -0.07 0.00 0.00 0.00 0.00 51.96 50.37 2jrp s ALA 32 Cb -0.15 -4.57 -0.05 0.00 0.00 0.00 0.00 23.12 18.35 2jrp s ALA 32 CO -0.07 -4.92 0.66 -1.17 0.00 0.00 0.00 175.76 170.26 2jrp s LEU 33 N 10.42 3.92 -0.17 0.00 2.96 -0.35 -4.59 118.68 130.86 2jrp s LEU 33 Ca 0.71 0.89 -0.13 0.00 -0.22 0.00 0.00 54.13 55.38 2jrp s LEU 33 Cb -0.06 -3.75 -0.05 0.00 0.50 0.00 0.00 46.19 42.83 2jrp s LEU 33 CO 0.01 -0.32 0.28 0.00 -1.32 0.00 0.00 176.35 175.00 2jrp h PRO 35 N 6.80 0.00 0.00 0.00 0.11 -1.91 0.19 132.00 137.18 2jrp h PRO 35 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2jrp h PRO 35 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2jrp h PRO 35 CO 0.75 0.24 -0.31 -0.25 -0.21 0.00 0.00 178.00 178.22 2jrp n ASP 36 N -4.02 1.06 -0.06 -2.05 9.92 -1.26 -4.58 116.55 115.57 2jrp n ASP 36 Ca -0.02 0.47 -0.13 0.00 -0.53 0.00 0.00 54.79 54.58 2jrp n ASP 36 Cb 0.31 -0.72 -0.06 0.00 -0.64 0.00 0.00 41.12 40.01 2jrp n ASP 36 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jrp n ARG 38 N -4.51 0.00 -0.34 0.00 1.74 0.05 -5.03 116.66 108.58 2jrp n ARG 38 Ca -0.05 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.07 2jrp n ARG 38 Cb 0.37 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.79 2jrp n ARG 38 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2jrp n GLN 39 N -1.12 -0.79 -1.53 5.56 1.13 -1.26 -4.73 117.38 114.65 2jrp n GLN 39 Ca 0.00 0.64 -0.49 0.00 -1.94 0.00 0.00 57.00 55.20 2jrp n GLN 39 Cb 0.00 -0.92 -0.06 0.00 0.11 0.00 0.00 30.24 29.37 2jrp n GLN 39 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2jrp n PRO 40 N -2.63 1.42 0.00 -1.09 -0.04 -1.26 -4.75 135.00 126.65 2jrp n PRO 40 Ca -0.02 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 2jrp n PRO 40 Cb 0.16 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.01 2jrp n PRO 40 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2jrp n LEU 41 N 9.42 0.00 -4.55 1.53 4.77 -1.26 -4.98 117.00 121.93 2jrp n LEU 41 Ca 0.35 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.92 2jrp n LEU 41 Cb 0.27 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.28 2jrp n LEU 41 CO 0.74 -0.68 0.19 -1.10 -1.33 0.00 0.00 177.39 175.21 2jrp s GLN 42 N -1.95 3.54 -0.76 3.23 -0.21 -1.24 -4.94 119.66 117.33 2jrp s GLN 42 Ca 0.00 -0.27 -0.26 0.00 0.02 0.00 0.00 55.36 54.85 2jrp s GLN 42 Cb 0.00 -3.83 0.01 0.00 1.00 0.00 0.00 33.01 30.19 2jrp s GLN 42 CO 0.00 -0.67 1.52 0.08 -2.12 0.00 0.00 175.29 174.11 2jrp s VAL 43 N 2.33 3.62 0.37 1.09 1.01 -1.26 -2.75 120.40 124.82 2jrp s VAL 43 Ca 0.17 0.12 -0.24 0.00 0.00 0.00 0.00 61.98 62.04 2jrp s VAL 43 Cb -0.16 -4.59 -0.10 0.00 0.00 0.00 0.00 36.38 31.53 2jrp s VAL 43 CO 0.13 -1.53 0.94 -0.76 0.00 0.00 0.00 175.10 173.89 2jrp s LEU 44 N 6.94 4.16 -0.20 3.92 1.43 0.14 -4.86 118.68 130.20 2jrp s LEU 44 Ca 0.49 1.77 -0.07 0.00 -1.03 0.00 0.00 54.13 55.28 2jrp s LEU 44 Cb -0.08 -4.25 -0.04 0.00 0.03 0.00 0.00 46.19 41.85 2jrp s LEU 44 CO 0.12 -0.20 0.06 -0.54 0.23 0.00 0.00 176.35 176.02 2jrp s LYS 45 N -2.56 3.86 -0.09 1.70 3.01 -1.26 -0.99 119.74 123.41 2jrp s LYS 45 Ca 0.55 -0.40 0.18 0.00 -1.01 0.00 0.00 55.97 55.30 2jrp s LYS 45 Cb -0.14 -3.23 0.64 0.00 -1.01 0.00 0.00 37.83 34.08 2jrp s LYS 45 CO 0.19 0.13 1.55 0.00 0.51 0.00 0.00 175.35 177.73 2jrp n ALA 46 N 3.96 2.86 -2.72 5.17 0.00 0.80 -4.99 120.51 125.59 2jrp n ALA 46 Ca -0.16 -1.57 -0.05 0.00 0.00 0.00 0.00 53.44 51.65 2jrp n ALA 46 Cb 0.52 -0.89 0.01 0.00 0.00 0.00 0.00 19.45 19.09 2jrp n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jrp n GLY 48 N -0.04 3.14 3.51 0.00 0.00 -1.26 -5.05 105.19 105.50 2jrp n GLY 48 Ca 0.08 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.14 2.75 0.24 4.61 0.00 -1.26 -5.10 121.76 122.86 2jrp s ALA 49 Ca 0.00 -2.06 0.06 0.00 0.00 0.00 0.00 51.96 49.96 2jrp s ALA 49 Cb 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 2jrp s ALA 49 CO 0.00 -0.03 -0.08 0.14 0.00 0.00 0.00 175.76 175.79 2jrp s VAL 50 N -2.81 1.56 -0.01 0.00 -7.23 -1.26 -0.14 120.40 110.51 2jrp s VAL 50 Ca 0.32 -2.13 -0.11 0.00 -1.81 0.00 0.00 61.98 58.25 2jrp s VAL 50 Cb 0.05 -2.29 0.01 0.00 0.56 0.00 0.00 36.38 34.71 2jrp s VAL 50 CO 0.15 -0.41 0.22 -0.62 -0.31 0.00 0.00 175.10 174.13 2jrp s ASP 51 N -3.37 -0.08 -0.33 4.85 2.15 -0.16 -4.89 116.67 114.84 2jrp s ASP 51 Ca 0.27 -0.05 -0.07 0.00 0.43 0.00 0.00 52.55 53.12 2jrp s ASP 51 Cb 0.03 0.26 0.02 0.00 -0.30 0.00 0.00 42.92 42.93 2jrp s ASP 51 CO 0.09 -0.39 0.11 -0.31 -0.17 0.00 0.00 175.17 174.51 2jrp s TYR 52 N -1.29 3.21 -0.07 -5.34 1.51 -1.26 0.24 117.35 114.35 2jrp s TYR 52 Ca -0.14 -1.15 -0.04 0.00 -1.01 0.00 0.00 57.07 54.73 2jrp s TYR 52 Cb -0.06 -2.29 0.03 0.00 -0.11 0.00 0.00 41.96 39.52 2jrp s TYR 52 CO 0.03 -0.65 0.17 0.12 -1.11 0.00 0.00 175.55 174.11 2jrp s PHE 53 N 1.47 -0.20 -0.13 2.71 5.36 -1.11 -4.80 117.98 121.29 2jrp s PHE 53 Ca 0.01 0.51 -0.29 0.00 -0.96 0.00 0.00 56.93 56.20 2jrp s PHE 53 Cb -0.18 -0.01 -0.02 0.00 -0.34 0.00 0.00 43.02 42.47 2jrp s PHE 53 CO 0.03 -0.15 1.17 0.00 -1.46 0.00 0.00 175.22 174.81 2jrp n GLN 55 N 5.83 0.34 -4.30 0.00 6.02 -1.26 -3.00 117.38 121.02 2jrp n GLN 55 Ca 0.12 0.14 -0.19 0.00 -0.01 0.00 0.00 57.00 57.06 2jrp n GLN 55 Cb 0.46 -1.10 -0.11 0.00 1.02 0.00 0.00 30.24 30.52 2jrp n GLN 55 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2jrp s ASN 56 N -6.15 2.34 0.00 1.08 0.01 -1.26 -4.61 114.94 106.36 2jrp s ASN 56 Ca -0.20 -0.89 0.00 0.00 -0.71 0.00 0.00 52.86 51.05 2jrp s ASN 56 Cb 0.05 -0.11 0.00 0.00 0.41 0.00 0.00 41.25 41.60 2jrp s ASN 56 CO 0.28 -0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.35 2jrp n GLY 57 N 0.17 0.70 0.00 0.66 0.00 -1.26 -4.66 105.19 100.80 2jrp n GLY 57 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2jrp n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jrp n HIS 58 N -2.03 0.00 0.00 1.61 8.25 -1.26 -5.07 115.22 116.72 2jrp n HIS 58 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2jrp n HIS 58 Cb 0.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.12 2jrp n HIS 58 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jrp n GLY 59 N 0.23 3.38 3.70 -1.41 0.00 -1.26 -4.95 105.19 104.89 2jrp n GLY 59 Ca 0.00 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 2jrp n GLY 59 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2jrp n LEU 60 N 0.00 3.66 -4.16 0.99 -0.00 -1.16 -4.62 117.00 111.71 2jrp n LEU 60 Ca 0.00 1.16 -0.33 0.00 -0.00 0.00 0.00 56.01 56.85 2jrp n LEU 60 Cb 0.00 -1.50 -0.16 0.00 -0.00 0.00 0.00 43.42 41.76 2jrp n LEU 60 CO 0.00 -0.26 -0.54 0.27 -0.00 0.00 0.00 177.39 176.85 2jrp s ILE 61 N -0.32 2.06 0.74 1.47 -5.25 -1.26 -5.00 121.20 113.64 2jrp s ILE 61 Ca 0.63 -0.98 -0.15 0.00 -0.99 0.00 0.00 60.65 59.16 2jrp s ILE 61 Cb -0.58 -1.83 0.02 0.00 2.95 0.00 0.00 42.46 43.03 2jrp s ILE 61 CO 0.53 0.55 1.00 -1.20 -1.79 0.00 0.00 174.94 174.03 2jrp n SER 62 N 4.13 0.55 0.31 4.36 7.64 -1.26 -4.64 113.62 124.71 2jrp n SER 62 Ca -0.20 0.65 0.20 0.00 1.01 0.00 0.00 58.87 60.53 2jrp n SER 62 Cb 0.51 -1.42 0.99 0.00 -1.01 0.00 0.00 64.21 63.28 2jrp n SER 62 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2jrp h LYS 63 N -0.38 0.00 0.00 1.43 1.79 -2.00 0.60 116.57 118.01 2jrp h LYS 63 Ca -0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 2jrp h LYS 63 Cb 1.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 2jrp h LYS 63 CO 0.46 0.00 -0.51 0.87 -1.08 0.00 0.00 179.45 179.20 2jrp h LYS 64 N 0.00 0.00 -0.01 3.15 1.57 -2.05 -3.19 116.57 116.05 2jrp h LYS 64 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jrp h LYS 64 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2jrp h LYS 64 CO 0.00 0.00 -0.27 0.54 -0.57 0.00 0.00 179.45 179.15 2jrp n ARG 65 N -2.58 0.78 -3.32 3.15 5.12 0.19 -4.82 116.66 115.18 2jrp n ARG 65 Ca 0.03 -0.46 -0.38 0.00 -1.93 0.00 0.00 57.85 55.10 2jrp n ARG 65 Cb 0.50 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 30.25 2jrp n ARG 65 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2jrp s VAL 66 N -2.53 5.09 -0.42 1.55 1.01 -0.31 -4.43 120.40 120.35 2jrp s VAL 66 Ca 0.23 1.01 -0.08 0.00 0.00 0.00 0.00 61.98 63.14 2jrp s VAL 66 Cb 0.19 -3.83 0.09 0.00 0.00 0.00 0.00 36.38 32.83 2jrp s VAL 66 CO 0.53 0.39 0.26 0.21 0.00 0.00 0.00 175.10 176.49 2jrp s ASN 67 N 0.13 5.58 -0.70 3.32 3.84 -0.37 -4.96 114.94 121.79 2jrp s ASN 67 Ca 0.27 -1.62 -0.26 0.00 0.21 0.00 0.00 52.86 51.46 2jrp s ASN 67 Cb -0.16 -1.96 -0.00 0.00 -0.55 0.00 0.00 41.25 38.57 2jrp s ASN 67 CO 0.13 -0.55 1.67 -0.36 -2.79 0.00 0.00 177.10 175.20 2jrp s PHE 68 N 1.38 1.91 0.50 0.43 0.40 -1.26 -1.22 117.98 120.12 2jrp s PHE 68 Ca 0.04 0.43 0.05 0.00 -0.60 0.00 0.00 56.93 56.84 2jrp s PHE 68 Cb -0.23 -4.28 -0.00 0.00 0.51 0.00 0.00 43.02 39.01 2jrp s PHE 68 CO 0.01 -2.16 0.22 0.14 0.70 0.00 0.00 175.22 174.13 2jrp s VAL 69 N 7.96 1.68 -1.05 -0.44 -7.23 -0.47 -4.90 120.40 115.94 2jrp s VAL 69 Ca 0.57 -1.70 -0.05 0.00 -1.81 0.00 0.00 61.98 58.99 2jrp s VAL 69 Cb -0.10 -2.38 0.28 0.00 0.56 0.00 0.00 36.38 34.75 2jrp s VAL 69 CO 0.15 0.00 1.19 -0.38 -0.31 0.00 0.00 175.10 175.75 2jrp n ILE 70 N -1.47 4.53 -4.76 -0.62 5.41 -1.26 -0.33 119.36 120.85 2jrp n ILE 70 Ca -0.07 -5.55 0.00 0.00 1.00 0.00 0.00 62.75 58.13 2jrp n ILE 70 Cb 0.65 -2.33 0.00 0.00 -0.71 0.00 0.00 39.64 37.25 2jrp n ILE 70 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2jrp n SER 71 N 1.99 -3.13 0.04 4.38 2.88 -1.26 -4.09 113.62 114.43 2jrp n SER 71 Ca 0.25 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.57 2jrp n SER 71 Cb 0.37 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.68 2jrp n SER 71 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 2jrp h ASP 72 N 0.00 0.53 -3.63 -3.46 2.03 -1.99 -3.48 116.42 106.43 2jrp h ASP 72 Ca 0.00 -0.94 -0.11 0.00 -0.73 0.00 0.00 57.03 55.26 2jrp h ASP 72 Cb 0.00 -0.17 -0.24 0.00 -0.83 0.00 0.00 39.33 38.08 2jrp h ASP 72 CO 0.00 1.82 -0.21 -1.10 -1.03 0.00 0.00 179.24 178.71 2jrp s GLN 73 N -2.57 0.49 -0.61 4.15 -0.21 -1.26 -5.12 119.66 114.54 2jrp s GLN 73 Ca -0.19 0.71 -0.01 0.00 0.02 0.00 0.00 55.36 55.90 2jrp s GLN 73 Cb 0.06 0.16 0.16 0.00 1.00 0.00 0.00 33.01 34.38 2jrp s GLN 73 CO 0.82 -0.10 0.41 -1.17 -2.12 0.00 0.00 175.29 173.13 2jrp s LEU 74 N 0.70 4.97 -0.01 2.90 2.96 -1.26 -4.79 118.68 124.14 2jrp s LEU 74 Ca -0.04 -2.98 0.08 0.00 -0.22 0.00 0.00 54.13 50.97 2jrp s LEU 74 Cb -0.05 -1.79 -0.11 0.00 0.50 0.00 0.00 46.19 44.74 2jrp s LEU 74 CO -0.05 -0.31 0.19 -1.84 -1.32 0.00 0.00 176.35 173.02 2jrp n GLU 75 N 3.27 0.80 -1.79 1.98 -0.00 -1.26 -5.10 120.64 118.54 2jrp n GLU 75 Ca 0.08 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.16 57.17 2jrp n GLU 75 Cb 0.36 -1.14 -0.00 0.00 -0.00 0.00 0.00 31.44 30.66 2jrp n GLU 75 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2jrp n HIS 76 N -1.69 -2.63 -1.18 -1.84 -0.00 -1.26 -4.99 115.22 101.63 2jrp n HIS 76 Ca -0.01 1.56 -0.30 0.00 -0.00 0.00 0.00 57.72 58.96 2jrp n HIS 76 Cb 0.19 -2.99 0.12 0.00 -0.00 0.00 0.00 29.99 27.31 2jrp n HIS 76 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jrp s HIS 77 N -0.33 2.37 -0.32 1.57 3.76 -1.26 -4.86 115.29 116.22 2jrp s HIS 77 Ca -0.02 1.46 -0.28 0.00 -0.15 0.00 0.00 55.06 56.07 2jrp s HIS 77 Cb 0.00 -3.11 -0.04 0.00 1.11 0.00 0.00 32.58 30.53 2jrp s HIS 77 CO 0.06 -2.15 2.14 -1.01 -0.85 0.00 0.00 174.74 172.93 2jrp s HIS 78 N -2.88 1.33 0.00 1.40 3.76 -1.26 -4.59 115.29 113.04 2jrp s HIS 78 Ca 0.63 0.77 0.00 0.00 -0.15 0.00 0.00 55.06 56.31 2jrp s HIS 78 Cb -0.18 -3.92 0.00 0.00 1.11 0.00 0.00 32.58 29.59 2jrp s HIS 78 CO 0.57 -3.42 0.54 1.58 -0.85 0.00 0.00 174.74 173.15 2jrp n HIS 79 N 12.24 0.00 0.00 1.40 -0.00 -1.26 -5.05 115.22 122.55 2jrp n HIS 79 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.01 2jrp n HIS 79 Cb 0.48 0.21 0.00 0.00 -0.00 0.00 0.00 29.99 30.68 2jrp n HIS 79 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jrp n HIS 80 N 0.00 0.00 -0.75 1.57 8.25 -1.26 -5.30 115.22 117.73 2jrp n HIS 80 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2jrp n HIS 80 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 2jrp n HIS 80 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70