#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 3.29 -0.04 0.03 2.02 -1.26 -4.85 118.70 117.89 2jrp s GLU 2 Ca 0.00 -0.67 -0.22 0.00 0.02 0.00 0.00 54.97 54.10 2jrp s GLU 2 Cb 0.00 -4.49 -0.16 0.00 0.10 0.00 0.00 34.13 29.58 2jrp s GLU 2 CO 0.00 -2.06 0.96 0.82 0.02 0.00 0.00 175.26 174.99 2jrp h ILE 3 N 6.16 0.77 -3.51 -1.63 2.04 -1.93 -3.50 117.51 115.91 2jrp h ILE 3 Ca -0.15 -0.97 0.34 0.00 1.00 0.00 0.00 64.86 65.08 2jrp h ILE 3 Cb 1.04 1.25 -0.19 0.00 -0.74 0.00 0.00 36.82 38.19 2jrp h ILE 3 CO 1.28 0.18 -1.27 0.35 0.00 0.00 0.00 178.15 178.69 2jrp n THR 4 N -4.99 -1.03 -3.91 -0.27 -2.24 -1.26 -4.91 114.28 95.67 2jrp n THR 4 Ca -0.08 0.98 -0.36 0.00 -2.27 0.00 0.00 64.05 62.32 2jrp n THR 4 Cb 0.26 -1.48 -0.08 0.00 -2.10 0.00 0.00 70.33 66.94 2jrp n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jrp h PRO 6 N 5.74 0.49 -0.22 0.00 0.11 -1.91 0.59 132.00 136.81 2jrp h PRO 6 Ca -0.48 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 2jrp h PRO 6 Cb 1.19 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2jrp h PRO 6 CO 0.65 0.32 -0.05 1.33 -0.21 0.00 0.00 178.00 180.03 2jrp n VAL 7 N -4.49 2.28 -0.11 3.15 0.24 -1.26 -4.52 118.33 113.62 2jrp n VAL 7 Ca 0.14 -2.31 0.00 0.00 -2.04 0.00 0.00 64.34 60.13 2jrp n VAL 7 Cb 0.46 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 2jrp n VAL 7 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jrp n HIS 9 N 0.00 0.00 -3.49 0.00 -0.00 0.20 -4.87 115.22 107.07 2jrp n HIS 9 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2jrp n HIS 9 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 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 0.00 -0.93 -4.68 1.57 -0.00 -1.26 -0.25 115.22 109.67 2jrp n HIS 10 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.44 2jrp n HIS 10 Cb 0.00 0.16 -0.14 0.00 -0.00 0.00 0.00 29.99 30.01 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 -1.70 2.06 -0.25 1.57 0.00 -1.26 -4.55 121.76 117.62 2jrp s ALA 11 Ca 0.00 -1.22 -0.09 0.00 0.00 0.00 0.00 51.96 50.65 2jrp s ALA 11 Cb 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 2jrp s ALA 11 CO 0.00 0.47 0.13 -0.51 0.00 0.00 0.00 175.76 175.85 2jrp s LEU 12 N -1.40 3.80 -0.35 0.00 1.43 -1.26 -4.81 118.68 116.08 2jrp s LEU 12 Ca 0.10 -0.05 -0.24 0.00 -1.03 0.00 0.00 54.13 52.90 2jrp s LEU 12 Cb -0.10 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.11 2jrp s LEU 12 CO 0.03 -0.00 0.84 -1.61 0.23 0.00 0.00 176.35 175.83 2jrp s GLU 13 N 1.44 3.84 -0.12 1.70 2.02 -1.22 -4.85 118.70 121.50 2jrp s GLU 13 Ca 0.06 0.48 -0.28 0.00 0.02 0.00 0.00 54.97 55.26 2jrp s GLU 13 Cb -0.15 -3.79 -0.01 0.00 0.10 0.00 0.00 34.13 30.28 2jrp s GLU 13 CO 0.06 -0.84 0.94 0.50 0.02 0.00 0.00 175.26 175.94 2jrp s ARG 14 N 3.20 4.39 0.00 1.61 3.52 -1.26 -1.43 118.95 128.97 2jrp s ARG 14 Ca 0.34 1.25 0.25 0.00 -0.13 0.00 0.00 55.73 57.44 2jrp s ARG 14 Cb -0.13 -3.55 0.53 0.00 -1.56 0.00 0.00 34.95 30.25 2jrp s ARG 14 CO 0.16 -0.29 1.43 0.09 -0.81 0.00 0.00 175.30 175.87 2jrp n ASN 15 N 4.99 1.29 0.00 -2.12 3.02 0.54 -4.98 115.26 118.00 2jrp n ASN 15 Ca 0.07 -1.05 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 2jrp n ASN 15 Cb 0.49 0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.90 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 1.37 1.76 0.14 7.41 0.00 -1.26 -4.82 105.19 109.79 2jrp n GLY 16 Ca 0.11 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 2jrp n GLY 16 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2jrp h ASP 17 N 0.00 0.50 -3.42 1.61 1.82 -1.94 -3.48 116.42 111.52 2jrp h ASP 17 Ca 0.00 -0.85 -0.66 0.00 -0.39 0.00 0.00 57.03 55.13 2jrp h ASP 17 Cb 0.00 -0.16 -0.19 0.00 0.68 0.00 0.00 39.33 39.66 2jrp h ASP 17 CO 0.00 1.73 -0.82 0.28 -1.61 0.00 0.00 179.24 178.82 2jrp s THR 18 N -2.58 2.49 -0.16 2.25 -1.32 -1.26 -0.61 115.64 114.44 2jrp s THR 18 Ca -0.16 -1.85 -0.03 0.00 -1.21 0.00 0.00 61.69 58.44 2jrp s THR 18 Cb 0.06 -2.17 -0.02 0.00 -1.51 0.00 0.00 72.50 68.86 2jrp s THR 18 CO 0.83 -0.04 -0.07 0.00 -2.21 0.00 0.00 174.62 173.13 2jrp s ALA 19 N -1.45 2.83 -0.28 11.08 0.00 0.10 -0.34 121.76 133.71 2jrp s ALA 19 Ca 0.19 -0.93 -0.12 0.00 0.00 0.00 0.00 51.96 51.11 2jrp s ALA 19 Cb -0.09 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 2jrp s ALA 19 CO 0.09 0.06 0.22 -1.58 0.00 0.00 0.00 175.76 174.55 2jrp s HIS 20 N 0.65 3.22 -0.15 0.00 2.46 -0.52 -0.71 115.29 120.25 2jrp s HIS 20 Ca -0.04 0.15 -0.26 0.00 0.47 0.00 0.00 55.06 55.38 2jrp s HIS 20 Cb -0.15 -2.41 -0.02 0.00 -0.13 0.00 0.00 32.58 29.87 2jrp s HIS 20 CO 0.02 -0.18 0.86 0.00 -2.47 0.00 0.00 174.74 172.98 2jrp h GLU 22 N 7.23 0.52 1.00 0.00 4.39 -1.87 -2.08 114.58 123.76 2jrp h GLU 22 Ca -0.31 -0.74 -0.05 0.00 0.34 0.00 0.00 59.36 58.60 2jrp h GLU 22 Cb 1.14 0.26 0.01 0.00 -0.10 0.00 0.00 28.75 30.06 2jrp h GLU 22 CO 0.83 1.33 -0.48 1.79 -1.16 0.00 0.00 179.01 181.33 2jrp h THR 23 N 0.21 0.01 -0.54 1.13 1.35 -1.96 -3.17 112.91 109.93 2jrp h THR 23 Ca -0.18 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 2jrp h THR 23 Cb 1.95 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 2jrp h THR 23 CO 0.23 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.50 2jrp n ALA 25 N 1.26 -2.77 -3.67 0.00 0.00 -1.00 -5.03 120.51 109.28 2jrp n ALA 25 Ca 0.19 0.71 -0.22 0.00 0.00 0.00 0.00 53.44 54.12 2jrp n ALA 25 Cb 0.55 -2.87 -0.17 0.00 0.00 0.00 0.00 19.45 16.96 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 -2.81 0.92 -0.42 0.00 -0.14 -0.82 -4.96 119.74 111.52 2jrp s LYS 26 Ca 0.21 -0.10 -0.14 0.00 -1.36 0.00 0.00 55.97 54.59 2jrp s LYS 26 Cb -0.05 -0.99 0.04 0.00 -1.68 0.00 0.00 37.83 35.15 2jrp s LYS 26 CO 0.79 -0.14 0.30 -0.51 -0.76 0.00 0.00 175.35 175.03 2jrp s ASP 27 N 1.22 5.98 -0.36 2.83 1.11 -1.26 0.43 116.67 126.62 2jrp s ASP 27 Ca -0.06 -1.08 -0.12 0.00 0.18 0.00 0.00 52.55 51.46 2jrp s ASP 27 Cb -0.14 -2.12 0.00 0.00 1.07 0.00 0.00 42.92 41.74 2jrp s ASP 27 CO -0.02 -0.49 0.23 -0.36 1.18 0.00 0.00 175.17 175.71 2jrp s PHE 28 N 1.62 3.22 0.17 4.23 0.08 0.11 -4.89 117.98 122.52 2jrp s PHE 28 Ca 0.04 -0.56 -0.30 0.00 0.12 0.00 0.00 56.93 56.23 2jrp s PHE 28 Cb -0.21 -2.47 -0.08 0.00 -0.57 0.00 0.00 43.02 39.69 2jrp s PHE 28 CO 0.08 -0.51 1.12 0.45 -0.10 0.00 0.00 175.22 176.26 2jrp s SER 29 N 1.65 7.22 0.19 1.36 0.15 -1.26 0.03 113.70 123.04 2jrp s SER 29 Ca 0.05 2.11 0.04 0.00 0.70 0.00 0.00 55.95 58.85 2jrp s SER 29 Cb -0.18 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.49 2jrp s SER 29 CO 0.09 -0.26 0.26 -0.76 1.20 0.00 0.00 173.24 173.76 2jrp s LEU 30 N -0.28 4.14 0.13 3.45 1.02 0.22 -3.34 118.68 124.02 2jrp s LEU 30 Ca 0.50 0.02 0.04 0.00 0.02 0.00 0.00 54.13 54.72 2jrp s LEU 30 Cb -0.30 -2.71 -0.04 0.00 0.02 0.00 0.00 46.19 43.16 2jrp s LEU 30 CO 0.35 0.01 -0.11 -1.58 0.02 0.00 0.00 176.35 175.05 2jrp s GLN 31 N -3.48 1.00 -0.37 1.70 2.00 0.14 -4.88 119.66 115.76 2jrp s GLN 31 Ca 0.33 -1.35 -0.16 0.00 -2.00 0.00 0.00 55.36 52.18 2jrp s GLN 31 Cb -0.10 -0.63 -0.00 0.00 0.80 0.00 0.00 33.01 33.08 2jrp s GLN 31 CO 0.27 0.09 0.41 0.00 -0.50 0.00 0.00 175.29 175.56 2jrp s ALA 32 N -2.97 3.47 0.17 1.58 0.00 -1.26 -1.46 121.76 121.29 2jrp s ALA 32 Ca 0.13 -1.27 0.10 0.00 0.00 0.00 0.00 51.96 50.93 2jrp s ALA 32 Cb 0.00 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 2jrp s ALA 32 CO 0.01 -1.26 -0.20 -0.51 0.00 0.00 0.00 175.76 173.80 2jrp s LEU 33 N 2.13 2.59 0.05 0.00 1.02 -0.04 -4.61 118.68 119.83 2jrp s LEU 33 Ca 0.13 -0.74 -0.06 0.00 0.02 0.00 0.00 54.13 53.48 2jrp s LEU 33 Cb -0.16 -1.35 -0.05 0.00 0.02 0.00 0.00 46.19 44.65 2jrp s LEU 33 CO 0.13 0.13 0.31 0.00 0.02 0.00 0.00 176.35 176.93 2jrp h PRO 35 N 3.61 0.00 0.02 0.00 0.13 -1.98 -3.01 132.00 130.78 2jrp h PRO 35 Ca -0.48 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.39 2jrp h PRO 35 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2jrp h PRO 35 CO 0.69 0.21 -1.32 -0.44 -0.23 0.00 0.00 178.00 176.90 2jrp h ASP 36 N 0.00 0.07 -2.90 1.44 5.19 -2.01 -3.45 116.42 114.75 2jrp h ASP 36 Ca -0.00 -0.10 -0.23 0.00 -0.62 0.00 0.00 57.03 56.08 2jrp h ASP 36 Cb 0.44 -0.02 -0.33 0.00 0.18 0.00 0.00 39.33 39.60 2jrp h ASP 36 CO 0.03 1.08 -0.54 0.00 -3.12 0.00 0.00 179.24 176.69 2jrp s ARG 38 N 2.38 3.71 0.36 0.00 3.52 -1.26 -2.98 118.95 124.68 2jrp s ARG 38 Ca 0.01 -1.53 0.03 0.00 -0.13 0.00 0.00 55.73 54.12 2jrp s ARG 38 Cb -0.12 -5.43 -0.04 0.00 -1.56 0.00 0.00 34.95 27.80 2jrp s ARG 38 CO -0.08 -2.34 0.10 -0.65 -0.81 0.00 0.00 175.30 171.52 2jrp s GLN 39 N 4.74 1.78 0.00 5.12 -0.21 -1.26 -4.98 119.66 124.84 2jrp s GLN 39 Ca 0.52 -2.04 0.00 0.00 0.02 0.00 0.00 55.36 53.86 2jrp s GLN 39 Cb 0.02 -0.66 0.00 0.00 1.00 0.00 0.00 33.01 33.36 2jrp s GLN 39 CO 0.00 -0.36 0.63 -0.35 -2.12 0.00 0.00 175.29 173.10 2jrp n PRO 40 N -0.78 0.81 0.00 2.91 -0.04 -1.26 -4.70 135.00 131.93 2jrp n PRO 40 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2jrp n PRO 40 Cb 0.66 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 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 -0.24 0.00 -3.18 1.53 4.32 -1.26 -3.78 117.00 114.39 2jrp n LEU 41 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 56.02 2jrp n LEU 41 Cb 0.09 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.87 2jrp n LEU 41 CO 0.00 0.00 0.16 -1.58 -1.22 0.00 0.00 177.39 174.75 2jrp s GLN 42 N 0.00 0.57 -0.30 3.23 2.00 -1.25 -4.60 119.66 119.31 2jrp s GLN 42 Ca 0.00 1.02 -0.29 0.00 -2.00 0.00 0.00 55.36 54.10 2jrp s GLN 42 Cb 0.00 0.56 -0.02 0.00 0.80 0.00 0.00 33.01 34.35 2jrp s GLN 42 CO 0.00 -0.60 1.65 0.08 -0.50 0.00 0.00 175.29 175.92 2jrp s VAL 43 N 2.86 3.65 -0.54 1.34 1.01 -1.25 -1.45 120.40 126.01 2jrp s VAL 43 Ca 0.19 0.69 -0.11 0.00 0.00 0.00 0.00 61.98 62.75 2jrp s VAL 43 Cb -0.15 -3.78 0.14 0.00 0.00 0.00 0.00 36.38 32.59 2jrp s VAL 43 CO -0.21 -0.43 0.44 -0.76 0.00 0.00 0.00 175.10 174.15 2jrp s LEU 44 N 5.92 5.92 -0.86 3.92 1.43 0.98 -5.00 118.68 130.99 2jrp s LEU 44 Ca 0.73 -2.05 -0.20 0.00 -1.03 0.00 0.00 54.13 51.58 2jrp s LEU 44 Cb -0.22 -2.07 0.12 0.00 0.03 0.00 0.00 46.19 44.04 2jrp s LEU 44 CO 0.32 -0.70 1.08 -0.54 0.23 0.00 0.00 176.35 176.74 2jrp s LYS 45 N 1.17 3.47 0.49 1.70 1.02 -1.26 -1.70 119.74 124.62 2jrp s LYS 45 Ca 0.07 -1.53 0.05 0.00 0.02 0.00 0.00 55.97 54.58 2jrp s LYS 45 Cb -0.25 -4.75 0.03 0.00 -0.52 0.00 0.00 37.83 32.34 2jrp s LYS 45 CO -0.01 -1.78 0.67 0.00 -0.92 0.00 0.00 175.35 173.31 2jrp s ALA 46 N 3.02 4.29 -0.87 5.17 0.00 -0.71 -5.02 121.76 127.64 2jrp s ALA 46 Ca 0.30 -1.59 -0.22 0.00 0.00 0.00 0.00 51.96 50.45 2jrp s ALA 46 Cb -0.08 -1.79 0.08 0.00 0.00 0.00 0.00 23.12 21.33 2jrp s ALA 46 CO -0.05 -0.53 1.20 0.00 0.00 0.00 0.00 175.76 176.38 2jrp n GLY 48 N 5.83 1.15 3.37 0.00 0.00 -1.26 -5.09 105.19 109.19 2jrp n GLY 48 Ca 0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.74 -1.25 -0.23 4.61 0.00 -1.22 -5.14 121.76 117.79 2jrp s ALA 49 Ca 0.00 0.81 0.02 0.00 0.00 0.00 0.00 51.96 52.80 2jrp s ALA 49 Cb 0.00 0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.19 2jrp s ALA 49 CO 0.00 -0.31 -0.14 0.14 0.00 0.00 0.00 175.76 175.45 2jrp s VAL 50 N -1.23 2.09 0.10 0.00 -7.23 -1.26 -1.73 120.40 111.14 2jrp s VAL 50 Ca -0.12 -1.37 0.06 0.00 -1.81 0.00 0.00 61.98 58.74 2jrp s VAL 50 Cb -0.03 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 2jrp s VAL 50 CO 0.07 0.17 -0.02 -1.81 -0.31 0.00 0.00 175.10 173.20 2jrp s ASP 51 N 1.18 4.88 -0.30 4.85 1.11 -0.69 -4.95 116.67 122.76 2jrp s ASP 51 Ca -0.04 -0.24 -0.07 0.00 0.18 0.00 0.00 52.55 52.38 2jrp s ASP 51 Cb -0.17 -1.11 0.02 0.00 1.07 0.00 0.00 42.92 42.72 2jrp s ASP 51 CO -0.08 0.16 0.08 -0.31 1.18 0.00 0.00 175.17 176.21 2jrp s TYR 52 N -1.34 3.16 -0.26 4.23 2.02 -1.26 -0.01 117.35 123.89 2jrp s TYR 52 Ca 0.25 -1.09 -0.02 0.00 -0.37 0.00 0.00 57.07 55.84 2jrp s TYR 52 Cb -0.11 -2.25 0.15 0.00 -0.40 0.00 0.00 41.96 39.34 2jrp s TYR 52 CO 0.17 -0.61 0.43 0.12 -1.57 0.00 0.00 175.55 174.10 2jrp s PHE 53 N 1.47 -1.02 -0.95 2.71 5.36 -0.53 -4.75 117.98 120.27 2jrp s PHE 53 Ca 0.02 1.07 -0.24 0.00 -0.96 0.00 0.00 56.93 56.82 2jrp s PHE 53 Cb -0.18 0.16 -0.04 0.00 -0.34 0.00 0.00 43.02 42.63 2jrp s PHE 53 CO 0.02 -0.75 1.90 0.00 -1.46 0.00 0.00 175.22 174.93 2jrp h GLN 55 N 10.94 -0.03 0.00 0.00 4.20 -1.91 -1.72 115.11 126.59 2jrp h GLN 55 Ca 0.12 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.57 2jrp h GLN 55 Cb 1.00 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.73 2jrp h GLN 55 CO 1.23 -0.02 -2.06 -1.71 -0.67 0.00 0.00 178.83 175.60 2jrp n ASN 56 N -2.13 1.10 -1.35 1.46 5.15 -1.26 -3.24 115.26 115.00 2jrp n ASN 56 Ca -0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 53.95 2jrp n ASN 56 Cb 0.01 0.97 0.01 0.00 -0.53 0.00 0.00 39.78 40.24 2jrp n ASN 56 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jrp n GLY 57 N 1.98 2.51 0.00 8.20 0.00 -1.26 -4.38 105.19 112.25 2jrp n GLY 57 Ca -0.24 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.85 0.00 0.00 1.61 -0.00 -1.26 -4.99 115.22 111.42 2jrp n HIS 58 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 2jrp n HIS 58 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.54 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 0.00 4.37 3.55 1.57 0.00 -0.69 -5.04 105.19 108.96 2jrp n GLY 59 Ca 0.00 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 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 3.24 0.08 0.99 2.34 -0.96 -4.63 118.68 119.73 2jrp s LEU 60 Ca 0.00 0.69 -0.30 0.00 0.06 0.00 0.00 54.13 54.57 2jrp s LEU 60 Cb 0.00 -2.52 -0.05 0.00 -0.56 0.00 0.00 46.19 43.06 2jrp s LEU 60 CO 0.00 -3.14 1.09 -0.63 -1.06 0.00 0.00 176.35 172.61 2jrp s ILE 61 N 12.72 4.26 0.13 1.48 -1.09 -1.26 -4.98 121.20 132.45 2jrp s ILE 61 Ca 0.93 1.72 -0.33 0.00 -2.23 0.00 0.00 60.65 60.74 2jrp s ILE 61 Cb -0.15 -4.10 -0.12 0.00 -1.58 0.00 0.00 42.46 36.51 2jrp s ILE 61 CO 0.20 0.19 1.72 -1.20 -1.23 0.00 0.00 174.94 174.61 2jrp n SER 62 N 3.42 3.59 0.19 3.58 7.64 -1.26 -4.83 113.62 125.94 2jrp n SER 62 Ca 0.06 1.04 0.13 0.00 1.01 0.00 0.00 58.87 61.11 2jrp n SER 62 Cb 0.48 -1.48 0.65 0.00 -1.01 0.00 0.00 64.21 62.84 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 7.26 0.00 -0.27 1.43 1.57 -1.94 0.41 116.57 125.03 2jrp h LYS 63 Ca -0.45 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.37 2jrp h LYS 63 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 2jrp h LYS 63 CO 0.93 0.00 0.18 -0.22 -0.57 0.00 0.00 179.45 179.77 2jrp h LYS 64 N 0.00 0.15 -0.03 3.15 3.64 -2.04 -2.65 116.57 118.79 2jrp h LYS 64 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2jrp h LYS 64 Cb 0.17 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2jrp h LYS 64 CO 0.00 0.10 0.00 0.54 -2.27 0.00 0.00 179.45 177.82 2jrp n ARG 65 N -4.49 1.09 -2.71 1.90 1.74 0.14 -4.98 116.66 109.36 2jrp n ARG 65 Ca 0.03 -1.40 -0.39 0.00 -0.77 0.00 0.00 57.85 55.31 2jrp n ARG 65 Cb 0.23 -1.28 -0.06 0.00 -1.02 0.00 0.00 32.46 30.33 2jrp n ARG 65 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2jrp s VAL 66 N -1.22 4.00 -0.93 1.55 1.01 -0.97 -4.88 120.40 118.96 2jrp s VAL 66 Ca 0.17 1.91 -0.22 0.00 0.00 0.00 0.00 61.98 63.84 2jrp s VAL 66 Cb 0.12 -4.18 0.07 0.00 0.00 0.00 0.00 36.38 32.39 2jrp s VAL 66 CO 0.18 0.38 1.30 0.20 0.00 0.00 0.00 175.10 177.17 2jrp s ASN 67 N -1.24 6.46 -0.81 3.32 -0.87 0.02 -4.88 114.94 116.94 2jrp s ASN 67 Ca 0.44 -1.43 -0.25 0.00 -1.57 0.00 0.00 52.86 50.05 2jrp s ASN 67 Cb -0.25 -2.51 0.04 0.00 -0.02 0.00 0.00 41.25 38.51 2jrp s ASN 67 CO 0.31 -1.44 1.29 -0.36 -2.57 0.00 0.00 177.10 174.34 2jrp s PHE 68 N 4.42 2.40 0.22 2.20 0.08 -1.25 -0.86 117.98 125.18 2jrp s PHE 68 Ca 0.39 -0.32 0.04 0.00 0.12 0.00 0.00 56.93 57.17 2jrp s PHE 68 Cb -0.04 -4.61 -0.05 0.00 -0.57 0.00 0.00 43.02 37.75 2jrp s PHE 68 CO -0.05 -1.99 -0.04 0.14 -0.10 0.00 0.00 175.22 173.18 2jrp s VAL 69 N 5.34 1.16 0.10 -0.44 -7.23 -0.54 -4.84 120.40 113.95 2jrp s VAL 69 Ca 0.37 -2.06 -0.31 0.00 -1.81 0.00 0.00 61.98 58.17 2jrp s VAL 69 Cb -0.07 -2.23 -0.08 0.00 0.56 0.00 0.00 36.38 34.56 2jrp s VAL 69 CO 0.08 -0.43 1.50 -0.63 -0.31 0.00 0.00 175.10 175.31 2jrp s ILE 70 N -3.34 3.12 -0.91 -0.62 1.01 -1.26 0.24 121.20 119.43 2jrp s ILE 70 Ca 0.26 0.73 -0.20 0.00 0.00 0.00 0.00 60.65 61.43 2jrp s ILE 70 Cb 0.04 -3.47 0.10 0.00 0.01 0.00 0.00 42.46 39.15 2jrp s ILE 70 CO 0.07 0.04 1.19 -0.55 0.00 0.00 0.00 174.94 175.68 2jrp s SER 71 N 1.50 6.53 -0.38 3.58 0.15 -1.21 -4.88 113.70 118.99 2jrp s SER 71 Ca 0.68 -1.73 -0.24 0.00 0.70 0.00 0.00 55.95 55.35 2jrp s SER 71 Cb -0.39 -2.45 0.01 0.00 -1.71 0.00 0.00 66.02 61.49 2jrp s SER 71 CO 0.30 -1.23 0.84 1.51 1.20 0.00 0.00 173.24 175.86 2jrp s ASP 72 N 3.96 6.59 0.00 5.45 -4.77 -1.26 -4.55 116.67 122.09 2jrp s ASP 72 Ca 0.35 0.40 0.00 0.00 -3.30 0.00 0.00 52.55 49.99 2jrp s ASP 72 Cb -0.05 -2.42 0.00 0.00 -1.09 0.00 0.00 42.92 39.35 2jrp s ASP 72 CO -0.07 -0.81 0.00 1.67 0.70 0.00 0.00 175.17 176.67 2jrp n GLN 73 N 6.61 0.00 -3.84 2.11 7.27 -1.26 -5.10 117.38 123.18 2jrp n GLN 73 Ca 0.05 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.76 2jrp n GLN 73 Cb 0.48 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 33.00 2jrp n GLN 73 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2jrp s LEU 74 N -3.79 3.29 0.07 1.69 2.96 -1.26 -4.92 118.68 116.72 2jrp s LEU 74 Ca 0.00 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 2jrp s LEU 74 Cb 0.00 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.88 2jrp s LEU 74 CO 0.00 -0.08 0.00 1.21 -1.32 0.00 0.00 176.35 176.16 2jrp n GLU 75 N 4.83 0.00 -2.38 1.98 0.00 -1.26 -5.09 120.64 118.73 2jrp n GLU 75 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.65 2jrp n GLU 75 Cb 0.50 -0.25 -0.01 0.00 0.00 0.00 0.00 31.44 31.67 2jrp n GLU 75 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2jrp s HIS 76 N -2.00 2.82 -0.16 4.31 3.76 -1.26 -4.97 115.29 117.79 2jrp s HIS 76 Ca 0.00 1.56 -0.29 0.00 -0.15 0.00 0.00 55.06 56.18 2jrp s HIS 76 Cb 0.00 -3.21 -0.01 0.00 1.11 0.00 0.00 32.58 30.48 2jrp s HIS 76 CO 0.00 -1.26 1.14 -1.01 -0.85 0.00 0.00 174.74 172.76 2jrp s HIS 77 N -1.83 3.15 -0.16 1.40 3.76 -1.26 -4.98 115.29 115.37 2jrp s HIS 77 Ca 0.70 1.27 -0.29 0.00 -0.15 0.00 0.00 55.06 56.59 2jrp s HIS 77 Cb -0.21 -3.37 0.11 0.00 1.11 0.00 0.00 32.58 30.22 2jrp s HIS 77 CO 0.25 -1.03 0.93 -1.58 -0.85 0.00 0.00 174.74 172.45 2jrp s HIS 78 N 3.02 -0.46 0.00 1.40 5.04 -1.26 -5.10 115.29 117.93 2jrp s HIS 78 Ca 0.50 0.87 0.00 0.00 -1.54 0.00 0.00 55.06 54.89 2jrp s HIS 78 Cb -0.19 0.42 0.00 0.00 0.04 0.00 0.00 32.58 32.85 2jrp s HIS 78 CO 0.13 -0.38 0.86 0.72 -2.34 0.00 0.00 174.74 173.73 2jrp n HIS 79 N 1.08 0.00 0.00 3.88 8.25 -1.26 -4.95 115.22 122.22 2jrp n HIS 79 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2jrp n HIS 79 Cb 0.57 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.28 2jrp n HIS 79 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jrp n HIS 80 N -1.72 0.00 -1.11 4.41 -0.00 -1.26 -5.27 115.22 110.27 2jrp n HIS 80 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jrp n HIS 80 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2jrp n HIS 80 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06