#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 3.50 0.34 0.03 2.56 -1.26 -5.07 118.70 118.80 2jrp s GLU 2 Ca 0.00 -0.36 -0.27 0.00 0.00 0.00 0.00 54.97 54.34 2jrp s GLU 2 Cb 0.00 -2.71 -0.09 0.00 2.00 0.00 0.00 34.13 33.33 2jrp s GLU 2 CO 0.00 0.22 1.16 0.42 -0.56 0.00 0.00 175.26 176.50 2jrp s ILE 3 N -2.20 3.23 -0.05 -3.70 1.09 -1.26 -4.94 121.20 113.37 2jrp s ILE 3 Ca 0.39 1.14 0.06 0.00 -1.10 0.00 0.00 60.65 61.14 2jrp s ILE 3 Cb -0.10 -3.68 -0.01 0.00 -1.06 0.00 0.00 42.46 37.61 2jrp s ILE 3 CO 0.34 0.19 -0.22 0.42 -0.10 0.00 0.00 174.94 175.57 2jrp s THR 4 N -1.29 1.79 0.34 2.92 -4.23 -1.26 -2.69 115.64 111.21 2jrp s THR 4 Ca 0.51 -0.93 -0.29 0.00 -1.18 0.00 0.00 61.69 59.81 2jrp s THR 4 Cb -0.32 -1.51 -0.11 0.00 1.34 0.00 0.00 72.50 71.90 2jrp s THR 4 CO 0.41 0.50 1.37 0.00 -0.54 0.00 0.00 174.62 176.37 2jrp h PRO 6 N 3.38 0.11 0.00 0.00 0.11 -2.00 -2.06 132.00 131.53 2jrp h PRO 6 Ca -0.49 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 2jrp h PRO 6 Cb 1.23 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2jrp h PRO 6 CO 0.66 0.07 -0.75 0.28 -0.21 0.00 0.00 178.00 178.05 2jrp h VAL 7 N 0.11 0.55 -3.51 3.15 2.07 -2.00 -3.42 116.25 113.20 2jrp h VAL 7 Ca 0.18 -1.63 -0.73 0.00 0.82 0.00 0.00 66.70 65.34 2jrp h VAL 7 Cb 0.58 1.25 -0.32 0.00 -1.52 0.00 0.00 31.29 31.27 2jrp h VAL 7 CO -0.02 0.19 -0.04 0.00 0.02 0.00 0.00 177.57 177.72 2jrp n HIS 9 N 2.96 2.56 0.00 0.00 -0.00 -0.79 -3.18 115.22 116.78 2jrp n HIS 9 Ca 0.17 -1.62 0.00 0.00 -0.00 0.00 0.00 57.72 56.28 2jrp n HIS 9 Cb 0.39 -2.36 0.00 0.00 -0.00 0.00 0.00 29.99 28.02 2jrp n HIS 9 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jrp n HIS 10 N 12.20 0.00 -3.64 4.41 -0.00 -1.26 -4.97 115.22 121.96 2jrp n HIS 10 Ca 0.46 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 58.13 2jrp n HIS 10 Cb 0.45 0.08 -0.07 0.00 -0.00 0.00 0.00 29.99 30.45 2jrp n HIS 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jrp s ALA 11 N -2.00 -2.12 0.04 1.57 0.00 -1.26 -4.99 121.76 113.00 2jrp s ALA 11 Ca 0.00 1.75 0.05 0.00 0.00 0.00 0.00 51.96 53.76 2jrp s ALA 11 Cb 0.00 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 2jrp s ALA 11 CO 0.00 -0.16 -0.09 -0.51 0.00 0.00 0.00 175.76 175.00 2jrp s LEU 12 N -0.07 3.08 -1.01 0.00 1.43 -1.10 -4.85 118.68 116.17 2jrp s LEU 12 Ca 0.06 -0.25 -0.18 0.00 -1.03 0.00 0.00 54.13 52.73 2jrp s LEU 12 Cb -0.04 -1.81 0.12 0.00 0.03 0.00 0.00 46.19 44.49 2jrp s LEU 12 CO -0.11 0.24 1.26 -1.61 0.23 0.00 0.00 176.35 176.36 2jrp s GLU 13 N -1.68 3.70 -0.58 1.70 2.02 0.00 -4.85 118.70 119.02 2jrp s GLU 13 Ca 0.18 -1.82 -0.25 0.00 0.02 0.00 0.00 54.97 53.10 2jrp s GLU 13 Cb -0.11 -5.04 0.04 0.00 0.10 0.00 0.00 34.13 29.12 2jrp s GLU 13 CO 0.10 -1.86 1.02 0.50 0.02 0.00 0.00 175.26 175.03 2jrp s ARG 14 N 2.91 3.34 -0.13 1.61 3.52 -1.26 -0.37 118.95 128.57 2jrp s ARG 14 Ca 0.38 -0.20 0.04 0.00 -0.13 0.00 0.00 55.73 55.81 2jrp s ARG 14 Cb -0.03 -4.07 0.29 0.00 -1.56 0.00 0.00 34.95 29.58 2jrp s ARG 14 CO -0.07 -1.60 1.15 0.09 -0.81 0.00 0.00 175.30 174.06 2jrp n ASN 15 N 7.82 3.05 0.00 -2.12 4.13 0.48 -4.93 115.26 123.68 2jrp n ASN 15 Ca 0.03 -2.48 0.00 0.00 1.68 0.00 0.00 54.58 53.81 2jrp n ASN 15 Cb 0.48 -0.60 0.00 0.00 -1.54 0.00 0.00 39.78 38.12 2jrp n ASN 15 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jrp n GLY 16 N 0.07 1.64 1.20 7.41 0.00 -1.26 -4.64 105.19 109.61 2jrp n GLY 16 Ca 0.16 -0.76 0.08 0.00 0.00 0.00 0.00 46.02 45.50 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 4.07 -3.80 1.61 8.00 -1.26 -4.90 116.55 120.28 2jrp n ASP 17 Ca 0.00 -2.39 -0.14 0.00 0.71 0.00 0.00 54.79 52.97 2jrp n ASP 17 Cb 0.00 -0.48 -0.15 0.00 -0.02 0.00 0.00 41.12 40.48 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 -1.72 -0.03 -0.16 -3.53 2.01 -1.26 -1.16 115.64 109.78 2jrp s THR 18 Ca 0.42 0.13 -0.00 0.00 0.31 0.00 0.00 61.69 62.55 2jrp s THR 18 Cb 0.27 -0.12 -0.00 0.00 0.01 0.00 0.00 72.50 72.66 2jrp s THR 18 CO 0.20 0.05 -0.14 0.00 -0.69 0.00 0.00 174.62 174.04 2jrp s ALA 19 N 0.71 2.53 -0.10 7.40 0.00 -0.31 -0.39 121.76 131.61 2jrp s ALA 19 Ca -0.06 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 50.81 2jrp s ALA 19 Cb -0.08 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 2jrp s ALA 19 CO -0.03 -0.04 0.10 -1.58 0.00 0.00 0.00 175.76 174.22 2jrp s HIS 20 N 0.83 3.46 -0.27 0.00 2.46 0.50 0.15 115.29 122.42 2jrp s HIS 20 Ca -0.05 0.42 -0.02 0.00 0.47 0.00 0.00 55.06 55.88 2jrp s HIS 20 Cb -0.15 -1.88 0.03 0.00 -0.13 0.00 0.00 32.58 30.45 2jrp s HIS 20 CO -0.00 0.65 -0.02 0.00 -2.47 0.00 0.00 174.74 172.90 2jrp h GLU 22 N 8.03 0.57 -6.26 0.00 4.39 -1.88 -3.04 114.58 116.38 2jrp h GLU 22 Ca -0.28 -0.28 -0.55 0.00 0.34 0.00 0.00 59.36 58.59 2jrp h GLU 22 Cb 1.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 2jrp h GLU 22 CO 0.56 0.86 1.14 0.95 -1.16 0.00 0.00 179.01 181.36 2jrp s THR 23 N -4.44 3.50 -0.15 1.13 -4.23 -1.26 -3.88 115.64 106.31 2jrp s THR 23 Ca -0.13 0.60 -0.03 0.00 -1.18 0.00 0.00 61.69 60.95 2jrp s THR 23 Cb 0.08 -3.42 0.01 0.00 1.34 0.00 0.00 72.50 70.50 2jrp s THR 23 CO 0.80 -0.10 0.06 0.00 -0.54 0.00 0.00 174.62 174.83 2jrp n ALA 25 N 1.38 0.58 -3.72 0.00 0.00 -1.21 -4.62 120.51 112.91 2jrp n ALA 25 Ca -0.10 -1.07 -0.14 0.00 0.00 0.00 0.00 53.44 52.13 2jrp n ALA 25 Cb 0.28 -3.04 -0.15 0.00 0.00 0.00 0.00 19.45 16.54 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 8.47 0.03 -0.16 0.00 1.02 -1.15 -4.99 119.74 122.95 2jrp s LYS 26 Ca 1.04 0.28 -0.03 0.00 0.02 0.00 0.00 55.97 57.28 2jrp s LYS 26 Cb -0.36 -0.20 -0.02 0.00 -0.52 0.00 0.00 37.83 36.73 2jrp s LYS 26 CO 0.25 -0.16 -0.04 0.16 -0.92 0.00 0.00 175.35 174.63 2jrp s ASP 27 N 1.08 4.65 -0.18 2.83 -4.77 -1.26 -0.58 116.67 118.45 2jrp s ASP 27 Ca -0.09 -0.19 -0.05 0.00 -3.30 0.00 0.00 52.55 48.92 2jrp s ASP 27 Cb -0.12 -1.76 -0.03 0.00 -1.09 0.00 0.00 42.92 39.92 2jrp s ASP 27 CO -0.04 0.14 0.01 -0.36 0.70 0.00 0.00 175.17 175.61 2jrp s PHE 28 N 0.56 3.10 -0.15 2.11 0.08 0.12 -4.94 117.98 118.87 2jrp s PHE 28 Ca -0.03 -0.21 -0.29 0.00 0.12 0.00 0.00 56.93 56.51 2jrp s PHE 28 Cb -0.14 -2.04 -0.01 0.00 -0.57 0.00 0.00 43.02 40.26 2jrp s PHE 28 CO 0.03 -0.03 1.07 0.45 -0.10 0.00 0.00 175.22 176.63 2jrp s SER 29 N 0.56 7.14 -0.12 1.36 0.15 -1.26 -1.16 113.70 120.38 2jrp s SER 29 Ca -0.00 1.53 -0.07 0.00 0.70 0.00 0.00 55.95 58.11 2jrp s SER 29 Cb -0.14 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 2jrp s SER 29 CO 0.02 -0.57 0.12 -0.76 1.20 0.00 0.00 173.24 173.25 2jrp s LEU 30 N 2.60 4.29 -0.19 3.45 1.43 -0.31 -3.20 118.68 126.75 2jrp s LEU 30 Ca 0.48 0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 53.97 2jrp s LEU 30 Cb -0.18 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 2jrp s LEU 30 CO 0.14 0.39 -0.06 -1.58 0.23 0.00 0.00 176.35 175.48 2jrp s GLN 31 N -0.93 3.47 -0.26 1.70 0.74 0.12 -4.81 119.66 119.67 2jrp s GLN 31 Ca 0.14 -0.60 -0.29 0.00 0.05 0.00 0.00 55.36 54.66 2jrp s GLN 31 Cb -0.12 -2.92 -0.02 0.00 1.10 0.00 0.00 33.01 31.05 2jrp s GLN 31 CO 0.04 0.00 1.69 0.00 -0.55 0.00 0.00 175.29 176.47 2jrp s ALA 32 N 0.96 3.12 0.18 1.58 0.00 -1.26 -1.30 121.76 125.04 2jrp s ALA 32 Ca -0.00 0.40 0.10 0.00 0.00 0.00 0.00 51.96 52.45 2jrp s ALA 32 Cb -0.15 -3.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.01 2jrp s ALA 32 CO 0.01 -2.21 -0.20 -1.17 0.00 0.00 0.00 175.76 172.18 2jrp s LEU 33 N 5.85 2.45 -0.04 0.00 2.96 0.22 -4.73 118.68 125.39 2jrp s LEU 33 Ca 0.75 -0.88 -0.09 0.00 -0.22 0.00 0.00 54.13 53.69 2jrp s LEU 33 Cb -0.24 -0.95 -0.05 0.00 0.50 0.00 0.00 46.19 45.46 2jrp s LEU 33 CO 0.31 0.01 0.25 0.00 -1.32 0.00 0.00 176.35 175.61 2jrp h PRO 35 N 4.52 0.00 0.00 0.00 0.11 -1.94 -3.27 132.00 131.42 2jrp h PRO 35 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2jrp h PRO 35 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2jrp h PRO 35 CO 0.62 0.24 0.00 -0.40 -0.21 0.00 0.00 178.00 178.25 2jrp n ASP 36 N -3.63 0.00 -4.48 -2.05 5.75 -1.26 -4.72 116.55 106.16 2jrp n ASP 36 Ca -0.01 0.01 -0.42 0.00 -0.01 0.00 0.00 54.79 54.36 2jrp n ASP 36 Cb 0.37 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.42 2jrp n ASP 36 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jrp n ARG 38 N 8.20 3.16 -4.16 0.00 0.63 -1.23 -3.43 116.66 119.83 2jrp n ARG 38 Ca -0.01 -3.01 -0.14 0.00 -0.92 0.00 0.00 57.85 53.77 2jrp n ARG 38 Cb 0.47 -3.16 -0.07 0.00 0.45 0.00 0.00 32.46 30.14 2jrp n ARG 38 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2jrp s GLN 39 N 2.21 1.61 0.00 -0.14 -0.21 -1.26 -5.00 119.66 116.87 2jrp s GLN 39 Ca 0.45 -1.72 0.02 0.00 0.02 0.00 0.00 55.36 54.12 2jrp s GLN 39 Cb 0.11 0.36 0.11 0.00 1.00 0.00 0.00 33.01 34.59 2jrp s GLN 39 CO -0.04 -0.61 0.45 -2.30 -2.12 0.00 0.00 175.29 170.67 2jrp n PRO 40 N -0.47 0.08 0.00 2.91 -0.02 -1.26 -4.51 135.00 131.74 2jrp n PRO 40 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2jrp n PRO 40 Cb 0.63 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 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 -0.83 0.00 -3.54 2.45 4.77 -1.26 -4.31 117.00 114.27 2jrp n LEU 41 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2jrp n LEU 41 Cb 0.01 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 2jrp n LEU 41 CO 0.01 0.00 0.41 -1.58 -1.33 0.00 0.00 177.39 174.90 2jrp s GLN 42 N 0.00 0.46 -0.15 3.23 0.74 -1.26 -4.74 119.66 117.94 2jrp s GLN 42 Ca 0.00 1.14 -0.29 0.00 0.05 0.00 0.00 55.36 56.26 2jrp s GLN 42 Cb 0.00 0.69 -0.03 0.00 1.10 0.00 0.00 33.01 34.77 2jrp s GLN 42 CO 0.00 -0.16 1.52 0.08 -0.55 0.00 0.00 175.29 176.18 2jrp s VAL 43 N 2.71 3.83 -0.02 1.34 1.01 -1.26 -0.94 120.40 127.06 2jrp s VAL 43 Ca -0.04 0.98 0.07 0.00 0.00 0.00 0.00 61.98 62.99 2jrp s VAL 43 Cb -0.09 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 2jrp s VAL 43 CO -0.18 -0.17 -0.23 -0.76 0.00 0.00 0.00 175.10 173.76 2jrp s LEU 44 N 4.27 2.04 0.10 3.92 1.43 0.31 -4.97 118.68 125.78 2jrp s LEU 44 Ca 0.67 -0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 53.31 2jrp s LEU 44 Cb -0.27 -1.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 2jrp s LEU 44 CO 0.25 0.27 0.33 -0.54 0.23 0.00 0.00 176.35 176.89 2jrp s LYS 45 N -0.46 3.59 2.87 1.70 1.02 -1.26 0.15 119.74 127.34 2jrp s LYS 45 Ca 0.07 -0.14 0.00 0.00 0.02 0.00 0.00 55.97 55.92 2jrp s LYS 45 Cb -0.09 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 2jrp s LYS 45 CO -0.00 0.53 0.00 0.00 -0.92 0.00 0.00 175.35 174.95 2jrp n ALA 46 N 0.32 0.00 0.00 5.17 0.00 -0.40 -4.91 120.51 120.70 2jrp n ALA 46 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2jrp n ALA 46 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 0.00 0.00 0.00 0.00 0.00 -1.26 -5.10 105.19 98.82 2jrp n GLY 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jrp n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jrp n ALA 49 N -2.72 0.00 -3.97 4.61 0.00 -0.93 -5.04 120.51 112.46 2jrp n ALA 49 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2jrp n ALA 49 Cb 0.32 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.62 2jrp n ALA 49 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jrp s VAL 50 N 0.00 2.16 0.23 0.00 1.01 -1.26 -1.27 120.40 121.27 2jrp s VAL 50 Ca 0.00 -2.39 0.06 0.00 0.00 0.00 0.00 61.98 59.65 2jrp s VAL 50 Cb 0.00 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2jrp s VAL 50 CO 0.00 -0.64 0.22 -0.62 0.00 0.00 0.00 175.10 174.06 2jrp s ASP 51 N 0.80 5.69 -0.37 3.32 -1.08 0.12 -4.94 116.67 120.22 2jrp s ASP 51 Ca 0.12 -0.16 0.02 0.00 -0.52 0.00 0.00 52.55 52.01 2jrp s ASP 51 Cb -0.20 -1.51 0.11 0.00 -1.46 0.00 0.00 42.92 39.86 2jrp s ASP 51 CO -0.08 -0.02 0.13 -0.31 0.52 0.00 0.00 175.17 175.40 2jrp s TYR 52 N -2.03 2.56 -0.25 -5.34 2.02 -1.26 -0.53 117.35 112.51 2jrp s TYR 52 Ca 0.33 -2.43 -0.02 0.00 -0.37 0.00 0.00 57.07 54.58 2jrp s TYR 52 Cb -0.08 -2.24 0.13 0.00 -0.40 0.00 0.00 41.96 39.36 2jrp s TYR 52 CO 0.26 -0.87 0.32 0.12 -1.57 0.00 0.00 175.55 173.81 2jrp s PHE 53 N 0.93 -0.62 -0.97 2.71 5.36 -0.12 -4.54 117.98 120.72 2jrp s PHE 53 Ca 0.13 0.33 -0.18 0.00 -0.96 0.00 0.00 56.93 56.24 2jrp s PHE 53 Cb -0.20 -0.23 0.14 0.00 -0.34 0.00 0.00 43.02 42.38 2jrp s PHE 53 CO -0.12 -0.79 1.18 0.00 -1.46 0.00 0.00 175.22 174.03 2jrp h GLN 55 N 8.59 0.73 -5.97 0.00 4.15 -1.94 -1.75 115.11 118.92 2jrp h GLN 55 Ca 0.18 -0.19 -0.55 0.00 0.77 0.00 0.00 58.65 58.86 2jrp h GLN 55 Cb 1.00 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.55 2jrp h GLN 55 CO 1.13 0.75 -0.39 0.54 -1.93 0.00 0.00 178.83 178.92 2jrp s ASN 56 N -6.12 4.67 0.00 -0.69 4.22 -1.26 -3.04 114.94 112.72 2jrp s ASN 56 Ca -0.13 -1.06 0.00 0.00 -2.14 0.00 0.00 52.86 49.54 2jrp s ASN 56 Cb 0.11 -0.17 0.00 0.00 1.28 0.00 0.00 41.25 42.47 2jrp s ASN 56 CO 0.79 -0.78 0.00 0.61 -2.04 0.00 0.00 177.10 175.68 2jrp n GLY 57 N -1.51 1.84 0.14 0.45 0.00 -1.26 -4.11 105.19 100.73 2jrp n GLY 57 Ca -0.00 -0.12 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 1.57 0.00 0.00 0.00 173.32 174.89 2jrp n HIS 58 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -5.15 115.22 110.42 2jrp n HIS 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jrp n HIS 58 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 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 2.50 4.04 3.74 1.57 0.00 -0.70 -5.03 105.19 111.30 2jrp n GLY 59 Ca 0.00 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 4.37 -0.11 0.99 2.34 -0.94 -4.65 118.68 120.67 2jrp s LEU 60 Ca 0.00 2.78 0.00 0.00 0.06 0.00 0.00 54.13 56.97 2jrp s LEU 60 Cb 0.00 -3.62 -0.02 0.00 -0.56 0.00 0.00 46.19 41.99 2jrp s LEU 60 CO 0.00 -0.84 -0.11 -0.63 -1.06 0.00 0.00 176.35 173.71 2jrp s ILE 61 N 0.37 3.24 0.33 1.48 1.09 -1.26 -5.02 121.20 121.43 2jrp s ILE 61 Ca 0.65 -0.62 -0.29 0.00 -1.10 0.00 0.00 60.65 59.29 2jrp s ILE 61 Cb -0.45 -2.34 -0.12 0.00 -1.06 0.00 0.00 42.46 38.49 2jrp s ILE 61 CO 0.41 0.54 1.53 -1.20 -0.10 0.00 0.00 174.94 176.12 2jrp n SER 62 N 3.12 3.73 0.00 3.58 7.64 -1.26 -4.73 113.62 125.70 2jrp n SER 62 Ca -0.18 1.18 0.05 0.00 1.01 0.00 0.00 58.87 60.94 2jrp n SER 62 Cb 0.53 -1.59 0.31 0.00 -1.01 0.00 0.00 64.21 62.45 2jrp n SER 62 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2jrp n LYS 63 N 1.39 0.46 0.14 1.43 5.02 -1.26 0.26 118.16 125.60 2jrp n LYS 63 Ca 0.06 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.45 2jrp n LYS 63 Cb 0.37 -1.36 0.05 0.00 -0.02 0.00 0.00 35.03 34.07 2jrp n LYS 63 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2jrp h LYS 64 N 0.00 0.00 0.00 1.97 3.11 -2.02 -3.36 116.57 116.27 2jrp h LYS 64 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2jrp h LYS 64 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 2jrp h LYS 64 CO 0.00 0.05 -0.80 -2.13 -2.81 0.00 0.00 179.45 173.76 2jrp n ARG 65 N -2.87 2.62 -2.05 1.90 0.63 0.14 -5.01 116.66 112.03 2jrp n ARG 65 Ca 0.01 -0.03 -0.41 0.00 -0.92 0.00 0.00 57.85 56.50 2jrp n ARG 65 Cb 0.58 -1.02 -0.02 0.00 0.45 0.00 0.00 32.46 32.46 2jrp n ARG 65 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2jrp s VAL 66 N -2.11 2.58 -0.69 5.15 1.01 -0.59 -4.95 120.40 120.81 2jrp s VAL 66 Ca 0.01 0.58 -0.25 0.00 0.00 0.00 0.00 61.98 62.32 2jrp s VAL 66 Cb 0.06 -3.37 0.05 0.00 0.00 0.00 0.00 36.38 33.12 2jrp s VAL 66 CO 0.34 0.14 1.11 0.21 0.00 0.00 0.00 175.10 176.90 2jrp s ASN 67 N -0.35 6.17 -0.53 3.32 2.47 -0.80 -4.92 114.94 120.31 2jrp s ASN 67 Ca 0.50 -0.71 -0.25 0.00 0.42 0.00 0.00 52.86 52.82 2jrp s ASN 67 Cb -0.41 -2.49 0.03 0.00 -1.45 0.00 0.00 41.25 36.94 2jrp s ASN 67 CO 0.54 -1.62 0.98 -0.36 -3.72 0.00 0.00 177.10 172.92 2jrp s PHE 68 N 4.84 2.80 -0.05 0.43 0.08 -1.26 -0.61 117.98 124.21 2jrp s PHE 68 Ca 0.28 0.19 -0.03 0.00 0.12 0.00 0.00 56.93 57.49 2jrp s PHE 68 Cb -0.13 -4.12 -0.04 0.00 -0.57 0.00 0.00 43.02 38.17 2jrp s PHE 68 CO 0.13 -1.31 0.12 0.54 -0.10 0.00 0.00 175.22 174.60 2jrp s VAL 69 N 4.06 5.12 0.15 -0.44 0.11 -0.42 -4.80 120.40 124.17 2jrp s VAL 69 Ca 0.35 -0.13 -0.30 0.00 -2.93 0.00 0.00 61.98 58.97 2jrp s VAL 69 Cb -0.11 -3.30 -0.07 0.00 -1.53 0.00 0.00 36.38 31.38 2jrp s VAL 69 CO 0.23 0.46 0.95 -0.63 -3.33 0.00 0.00 175.10 172.77 2jrp s ILE 70 N -1.14 4.39 -1.20 7.04 1.01 -1.26 0.10 121.20 130.13 2jrp s ILE 70 Ca 0.20 2.06 -0.21 0.00 0.00 0.00 0.00 60.65 62.71 2jrp s ILE 70 Cb -0.12 -4.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.00 2jrp s ILE 70 CO 0.11 0.37 1.86 -0.44 0.00 0.00 0.00 174.94 176.84 2jrp s SER 71 N -0.34 5.64 -0.22 3.58 0.01 -1.20 -4.63 113.70 116.55 2jrp s SER 71 Ca 0.45 -1.87 -0.14 0.00 1.31 0.00 0.00 55.95 55.70 2jrp s SER 71 Cb -0.24 -2.58 -0.18 0.00 0.21 0.00 0.00 66.02 63.23 2jrp s SER 71 CO 0.30 -2.43 0.02 -0.67 0.41 0.00 0.00 173.24 170.87 2jrp n ASP 72 N 12.35 1.95 -4.41 2.44 2.03 -1.26 -4.76 116.55 124.89 2jrp n ASP 72 Ca 0.46 0.30 -0.44 0.00 0.52 0.00 0.00 54.79 55.63 2jrp n ASP 72 Cb 0.47 -0.85 -0.04 0.00 -0.72 0.00 0.00 41.12 39.98 2jrp n ASP 72 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2jrp s GLN 73 N -2.46 3.20 -0.47 -0.67 -0.21 -1.26 -4.97 119.66 112.82 2jrp s GLN 73 Ca -0.32 -1.32 0.03 0.00 0.02 0.00 0.00 55.36 53.77 2jrp s GLN 73 Cb 0.09 -4.39 0.12 0.00 1.00 0.00 0.00 33.01 29.84 2jrp s GLN 73 CO 0.59 -1.66 0.22 -0.51 -2.12 0.00 0.00 175.29 171.81 2jrp s LEU 74 N 2.97 4.57 0.00 2.90 1.43 -1.26 -4.98 118.68 124.30 2jrp s LEU 74 Ca 0.19 -2.72 -0.08 0.00 -1.03 0.00 0.00 54.13 50.49 2jrp s LEU 74 Cb -0.17 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 2jrp s LEU 74 CO 0.04 -0.30 0.75 -0.33 0.23 0.00 0.00 176.35 176.73 2jrp h GLU 75 N 6.92 -0.28 -6.15 1.70 4.39 -2.02 -3.42 114.58 115.72 2jrp h GLU 75 Ca -0.06 0.02 -0.56 0.00 0.34 0.00 0.00 59.36 59.10 2jrp h GLU 75 Cb 0.94 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.60 2jrp h GLU 75 CO 0.64 -0.19 0.05 -3.38 -1.16 0.00 0.00 179.01 174.98 2jrp s HIS 76 N -2.96 3.69 -0.11 4.33 -3.43 -1.26 -5.06 115.29 110.50 2jrp s HIS 76 Ca -0.04 1.30 -0.03 0.00 -0.80 0.00 0.00 55.06 55.49 2jrp s HIS 76 Cb 0.00 -2.70 0.04 0.00 -1.43 0.00 0.00 32.58 28.50 2jrp s HIS 76 CO 0.13 0.31 0.05 -3.38 -2.00 0.00 0.00 174.74 169.84 2jrp s HIS 77 N -0.07 0.38 -0.99 0.38 -3.43 -1.26 -5.07 115.29 105.23 2jrp s HIS 77 Ca 0.34 -0.17 -0.03 0.00 -0.80 0.00 0.00 55.06 54.40 2jrp s HIS 77 Cb -0.19 -0.70 0.28 0.00 -1.43 0.00 0.00 32.58 30.54 2jrp s HIS 77 CO 0.19 -0.38 1.18 1.58 -2.00 0.00 0.00 174.74 175.32 2jrp n HIS 78 N 5.22 3.37 -0.08 0.38 -0.00 -1.26 -4.57 115.22 118.28 2jrp n HIS 78 Ca -0.06 -3.34 -0.07 0.00 0.46 0.00 0.00 57.72 54.72 2jrp n HIS 78 Cb 0.49 -1.21 -0.16 0.00 -0.12 0.00 0.00 29.99 28.99 2jrp n HIS 78 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jrp n HIS 79 N 1.66 0.02 -3.17 1.57 -0.00 -1.26 -4.99 115.22 109.04 2jrp n HIS 79 Ca 0.26 0.01 -0.18 0.00 -0.00 0.00 0.00 57.72 57.80 2jrp n HIS 79 Cb 0.36 -0.92 0.00 0.00 -0.00 0.00 0.00 29.99 29.43 2jrp n HIS 79 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2jrp s HIS 80 N -2.66 2.86 -2.76 1.57 -3.43 -1.26 -5.38 115.29 104.22 2jrp s HIS 80 Ca -0.10 -0.37 0.26 0.00 -0.80 0.00 0.00 55.06 54.05 2jrp s HIS 80 Cb 0.07 -2.27 0.60 0.00 -1.43 0.00 0.00 32.58 29.54 2jrp s HIS 80 CO 0.84 -0.30 1.49 0.72 -2.00 0.00 0.00 174.74 175.49