#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrp n GLU 2 N 0.00 0.00 0.24 2.12 1.02 -1.26 -5.05 120.64 117.71 2jrp n GLU 2 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 2jrp n GLU 2 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 2jrp n GLU 2 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2jrp h ILE 3 N 0.06 0.17 -2.47 -3.67 2.04 -1.94 -3.50 117.51 108.20 2jrp h ILE 3 Ca 0.00 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.34 2jrp h ILE 3 Cb 0.00 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 2jrp h ILE 3 CO 0.00 0.03 -0.52 0.41 0.00 0.00 0.00 178.15 178.07 2jrp n THR 4 N -5.23 -5.54 -2.47 -0.27 -1.04 -1.26 -4.88 114.28 93.60 2jrp n THR 4 Ca -0.09 1.62 -0.43 0.00 -2.04 0.00 0.00 64.05 63.11 2jrp n THR 4 Cb 0.29 -2.99 -0.02 0.00 -1.82 0.00 0.00 70.33 65.78 2jrp n THR 4 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jrp h PRO 6 N 8.19 0.21 -0.58 0.00 0.11 -1.89 0.33 132.00 138.37 2jrp h PRO 6 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2jrp h PRO 6 Cb 1.09 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2jrp h PRO 6 CO 0.98 0.14 0.00 1.33 -0.21 0.00 0.00 178.00 180.24 2jrp n VAL 7 N -5.18 0.67 0.00 3.15 0.24 -1.26 -3.71 118.33 112.24 2jrp n VAL 7 Ca 0.10 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 2jrp n VAL 7 Cb 0.37 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 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 -1.75 -0.44 -4.32 0.00 8.25 0.92 -4.99 115.22 112.90 2jrp n HIS 9 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 2jrp n HIS 9 Cb 0.30 -3.20 -0.10 0.00 1.12 0.00 0.00 29.99 28.11 2jrp n HIS 9 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jrp s HIS 10 N -2.75 1.57 0.60 4.41 5.65 -1.25 -4.93 115.29 118.58 2jrp s HIS 10 Ca 0.00 -0.67 -0.19 0.00 0.25 0.00 0.00 55.06 54.46 2jrp s HIS 10 Cb 0.00 -0.77 -0.05 0.00 -1.18 0.00 0.00 32.58 30.58 2jrp s HIS 10 CO 0.00 0.24 0.97 0.00 -0.65 0.00 0.00 174.74 175.29 2jrp n ALA 11 N -0.34 0.19 -3.40 1.58 0.00 -1.26 -0.76 120.51 116.52 2jrp n ALA 11 Ca -0.08 0.01 -0.36 0.00 0.00 0.00 0.00 53.44 53.01 2jrp n ALA 11 Cb 0.61 -2.11 -0.13 0.00 0.00 0.00 0.00 19.45 17.82 2jrp n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jrp s LEU 12 N -2.00 3.74 -0.48 0.00 1.43 -1.26 -4.54 118.68 115.58 2jrp s LEU 12 Ca 0.75 -0.90 -0.28 0.00 -1.03 0.00 0.00 54.13 52.67 2jrp s LEU 12 Cb -0.42 -1.79 -0.00 0.00 0.03 0.00 0.00 46.19 44.00 2jrp s LEU 12 CO 0.47 -0.21 1.62 -1.61 0.23 0.00 0.00 176.35 176.86 2jrp s GLU 13 N 1.40 3.21 -0.35 1.70 0.41 -0.94 -4.81 118.70 119.33 2jrp s GLU 13 Ca 0.00 0.87 -0.29 0.00 -0.41 0.00 0.00 54.97 55.14 2jrp s GLU 13 Cb -0.18 -4.18 0.01 0.00 -1.78 0.00 0.00 34.13 28.00 2jrp s GLU 13 CO 0.00 -2.02 1.26 0.50 -0.49 0.00 0.00 175.26 174.52 2jrp s ARG 14 N 5.78 3.84 -0.15 1.61 3.52 -1.26 -0.55 118.95 131.75 2jrp s ARG 14 Ca 0.65 1.06 0.16 0.00 -0.13 0.00 0.00 55.73 57.47 2jrp s ARG 14 Cb -0.15 -3.89 0.69 0.00 -1.56 0.00 0.00 34.95 30.04 2jrp s ARG 14 CO 0.28 -1.21 1.60 0.09 -0.81 0.00 0.00 175.30 175.25 2jrp n ASN 15 N 7.77 4.76 0.00 -2.12 5.03 0.86 -4.99 115.26 126.57 2jrp n ASN 15 Ca 0.14 -2.63 0.00 0.00 0.87 0.00 0.00 54.58 52.96 2jrp n ASN 15 Cb 0.47 -0.58 0.00 0.00 -1.02 0.00 0.00 39.78 38.66 2jrp n ASN 15 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jrp n GLY 16 N 0.69 1.85 0.20 7.41 0.00 -1.26 -4.38 105.19 109.70 2jrp n GLY 16 Ca 0.25 -0.41 0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -5.16 1.61 3.58 -1.87 -3.41 116.42 111.17 2jrp h ASP 17 Ca 0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 2jrp h ASP 17 Cb 0.00 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 40.90 2jrp h ASP 17 CO 0.00 0.30 -0.46 0.28 -2.88 0.00 0.00 179.24 176.48 2jrp s THR 18 N -4.30 0.15 -0.28 2.25 -1.32 -1.26 -1.34 115.64 109.54 2jrp s THR 18 Ca -0.03 -1.27 -0.05 0.00 -1.21 0.00 0.00 61.69 59.13 2jrp s THR 18 Cb 0.15 -1.28 0.02 0.00 -1.51 0.00 0.00 72.50 69.87 2jrp s THR 18 CO 0.70 -0.70 0.03 0.00 -2.21 0.00 0.00 174.62 172.44 2jrp s ALA 19 N -3.60 2.93 -0.27 11.08 0.00 0.13 -0.10 121.76 131.93 2jrp s ALA 19 Ca 0.03 -1.49 -0.13 0.00 0.00 0.00 0.00 51.96 50.37 2jrp s ALA 19 Cb 0.04 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 2jrp s ALA 19 CO -0.09 -0.92 0.30 -1.58 0.00 0.00 0.00 175.76 173.47 2jrp s HIS 20 N 1.42 3.24 0.34 0.00 2.46 0.29 -0.62 115.29 122.43 2jrp s HIS 20 Ca 0.01 0.31 -0.26 0.00 0.47 0.00 0.00 55.06 55.60 2jrp s HIS 20 Cb -0.17 -2.50 -0.10 0.00 -0.13 0.00 0.00 32.58 29.68 2jrp s HIS 20 CO -0.00 -0.19 0.96 0.00 -2.47 0.00 0.00 174.74 173.04 2jrp h GLU 22 N 3.03 0.14 -4.27 0.00 -0.00 -1.91 -3.40 114.58 108.17 2jrp h GLU 22 Ca -0.47 -0.25 -0.76 0.00 -0.00 0.00 0.00 59.36 57.89 2jrp h GLU 22 Cb 1.19 0.09 -0.22 0.00 -0.00 0.00 0.00 28.75 29.81 2jrp h GLU 22 CO 0.64 0.89 0.67 0.95 -0.00 0.00 0.00 179.01 182.16 2jrp s THR 23 N -2.59 5.36 0.00 -1.06 -4.23 -1.26 -4.72 115.64 107.14 2jrp s THR 23 Ca -0.11 -2.55 0.00 0.00 -1.18 0.00 0.00 61.69 57.85 2jrp s THR 23 Cb 0.07 -4.69 0.00 0.00 1.34 0.00 0.00 72.50 69.23 2jrp s THR 23 CO 0.81 -1.33 0.00 0.00 -0.54 0.00 0.00 174.62 173.56 2jrp n ALA 25 N 2.71 4.03 -2.66 0.00 0.00 -1.26 -4.19 120.51 119.13 2jrp n ALA 25 Ca 0.00 -0.17 -0.39 0.00 0.00 0.00 0.00 53.44 52.88 2jrp n ALA 25 Cb 0.00 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 18.19 2jrp n ALA 25 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2jrp s LYS 26 N 0.25 4.20 -0.16 0.00 2.20 -1.26 -4.93 119.74 120.03 2jrp s LYS 26 Ca 0.06 0.44 -0.09 0.00 -0.36 0.00 0.00 55.97 56.02 2jrp s LYS 26 Cb 0.03 -3.56 -0.05 0.00 -1.51 0.00 0.00 37.83 32.75 2jrp s LYS 26 CO 0.00 -0.14 0.15 -0.51 -0.36 0.00 0.00 175.35 174.48 2jrp s ASP 27 N 1.13 6.30 -0.41 1.43 1.01 -1.26 -2.46 116.67 122.41 2jrp s ASP 27 Ca 0.25 0.34 -0.06 0.00 0.71 0.00 0.00 52.55 53.79 2jrp s ASP 27 Cb -0.15 -2.09 0.09 0.00 1.01 0.00 0.00 42.92 41.78 2jrp s ASP 27 CO 0.10 0.27 0.22 -0.36 0.21 0.00 0.00 175.17 175.61 2jrp s PHE 28 N -0.19 3.44 0.06 4.23 0.08 0.21 -4.90 117.98 120.91 2jrp s PHE 28 Ca 0.11 -1.96 -0.33 0.00 0.12 0.00 0.00 56.93 54.88 2jrp s PHE 28 Cb -0.12 -3.04 -0.12 0.00 -0.57 0.00 0.00 43.02 39.17 2jrp s PHE 28 CO 0.01 -0.91 1.80 0.43 -0.10 0.00 0.00 175.22 176.44 2jrp n SER 29 N 4.76 3.63 -4.66 1.36 7.64 -1.26 0.19 113.62 125.27 2jrp n SER 29 Ca -0.07 1.00 -0.35 0.00 1.01 0.00 0.00 58.87 60.46 2jrp n SER 29 Cb 0.42 -1.46 -0.09 0.00 -1.01 0.00 0.00 64.21 62.07 2jrp n SER 29 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jrp s LEU 30 N 2.79 3.98 -0.13 -3.43 1.43 -0.45 -0.46 118.68 122.41 2jrp s LEU 30 Ca 0.85 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 54.10 2jrp s LEU 30 Cb -0.59 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 43.60 2jrp s LEU 30 CO 0.42 0.15 -0.22 -1.10 0.23 0.00 0.00 176.35 175.83 2jrp s GLN 31 N 0.54 3.07 -0.31 1.70 -0.21 -0.50 -4.78 119.66 119.16 2jrp s GLN 31 Ca 0.06 -0.85 -0.25 0.00 0.02 0.00 0.00 55.36 54.34 2jrp s GLN 31 Cb -0.12 -2.41 0.01 0.00 1.00 0.00 0.00 33.01 31.48 2jrp s GLN 31 CO 0.00 0.07 0.87 0.00 -2.12 0.00 0.00 175.29 174.11 2jrp s ALA 32 N 0.63 3.52 0.31 6.09 0.00 -1.26 -1.48 121.76 129.56 2jrp s ALA 32 Ca -0.11 -0.33 0.09 0.00 0.00 0.00 0.00 51.96 51.61 2jrp s ALA 32 Cb -0.16 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 2jrp s ALA 32 CO 0.02 -1.29 -0.00 -0.51 0.00 0.00 0.00 175.76 173.99 2jrp s LEU 33 N 3.15 3.04 0.28 0.00 2.01 -0.15 -4.34 118.68 122.67 2jrp s LEU 33 Ca 0.36 -0.86 0.05 0.00 0.01 0.00 0.00 54.13 53.69 2jrp s LEU 33 Cb -0.14 -1.49 -0.02 0.00 0.01 0.00 0.00 46.19 44.55 2jrp s LEU 33 CO 0.13 -0.14 0.42 0.00 1.01 0.00 0.00 176.35 177.78 2jrp h PRO 35 N 1.02 0.74 0.00 0.00 0.11 -1.95 -3.07 132.00 128.85 2jrp h PRO 35 Ca -0.50 -0.06 -0.27 0.00 0.11 0.00 0.00 66.00 65.28 2jrp h PRO 35 Cb 1.24 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 2jrp h PRO 35 CO 0.59 0.52 -2.13 -0.40 -0.21 0.00 0.00 178.00 176.37 2jrp n ASP 36 N -4.42 0.19 -4.32 -2.05 5.75 -1.26 -4.82 116.55 105.62 2jrp n ASP 36 Ca 0.05 0.09 -0.45 0.00 -0.01 0.00 0.00 54.79 54.47 2jrp n ASP 36 Cb 0.07 0.98 -0.06 0.00 -1.03 0.00 0.00 41.12 41.08 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 5.19 1.03 -3.23 0.00 5.12 -1.26 -1.33 116.66 122.17 2jrp n ARG 38 Ca -0.13 -0.46 -0.37 0.00 -1.93 0.00 0.00 57.85 54.97 2jrp n ARG 38 Cb 0.41 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 30.16 2jrp n ARG 38 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2jrp s GLN 39 N -2.28 4.16 -0.19 5.56 -0.21 -1.26 -5.00 119.66 120.44 2jrp s GLN 39 Ca 0.33 0.72 -0.38 0.00 0.02 0.00 0.00 55.36 56.05 2jrp s GLN 39 Cb 0.20 -3.04 -0.14 0.00 1.00 0.00 0.00 33.01 31.03 2jrp s GLN 39 CO 0.43 0.51 1.76 -2.30 -2.12 0.00 0.00 175.29 173.57 2jrp n PRO 40 N 1.12 1.50 -0.38 2.91 -0.02 -1.26 -4.76 135.00 134.10 2jrp n PRO 40 Ca -0.06 0.55 -0.11 0.00 -2.02 0.00 0.00 63.50 61.86 2jrp n PRO 40 Cb 0.51 -2.28 0.09 0.00 -0.02 0.00 0.00 33.50 31.80 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 5.55 0.00 -4.73 2.45 4.77 -1.26 -4.94 117.00 118.84 2jrp n LEU 41 Ca 0.25 -0.42 -0.42 0.00 -0.03 0.00 0.00 56.01 55.39 2jrp n LEU 41 Cb 0.19 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 2jrp n LEU 41 CO 0.77 -1.40 0.85 -1.58 -1.33 0.00 0.00 177.39 174.70 2jrp s GLN 42 N -3.89 4.50 -0.57 3.23 2.00 -1.25 -4.68 119.66 119.00 2jrp s GLN 42 Ca 0.25 1.76 -0.28 0.00 -2.00 0.00 0.00 55.36 55.10 2jrp s GLN 42 Cb -0.02 -3.31 0.01 0.00 0.80 0.00 0.00 33.01 30.49 2jrp s GLN 42 CO 0.19 -0.11 1.40 0.08 -0.50 0.00 0.00 175.29 176.35 2jrp s VAL 43 N 0.42 3.80 0.14 1.34 1.01 -1.26 -0.77 120.40 125.08 2jrp s VAL 43 Ca 0.54 0.67 0.05 0.00 0.00 0.00 0.00 61.98 63.24 2jrp s VAL 43 Cb -0.30 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.57 2jrp s VAL 43 CO 0.32 -1.20 0.12 -0.76 0.00 0.00 0.00 175.10 173.58 2jrp s LEU 44 N 6.00 3.80 -0.20 3.92 1.43 0.11 -4.96 118.68 128.79 2jrp s LEU 44 Ca 0.51 -0.10 -0.05 0.00 -1.03 0.00 0.00 54.13 53.46 2jrp s LEU 44 Cb -0.10 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.66 2jrp s LEU 44 CO 0.25 0.10 -0.00 -0.54 0.23 0.00 0.00 176.35 176.38 2jrp s LYS 45 N -2.92 3.59 -0.45 1.70 1.02 -1.26 -0.30 119.74 121.13 2jrp s LYS 45 Ca 0.30 -0.53 0.02 0.00 0.02 0.00 0.00 55.97 55.78 2jrp s LYS 45 Cb -0.11 -3.07 0.12 0.00 -0.52 0.00 0.00 37.83 34.25 2jrp s LYS 45 CO 0.23 -0.01 0.21 0.00 -0.92 0.00 0.00 175.35 174.86 2jrp s ALA 46 N 1.05 3.18 0.00 5.17 0.00 -0.45 -4.95 121.76 125.76 2jrp s ALA 46 Ca 0.02 -2.87 0.00 0.00 0.00 0.00 0.00 51.96 49.10 2jrp s ALA 46 Cb -0.14 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.75 2jrp s ALA 46 CO 0.01 -1.88 0.00 0.00 0.00 0.00 0.00 175.76 173.90 2jrp n GLY 48 N 0.00 -0.71 3.89 0.00 0.00 -1.26 -5.07 105.19 102.03 2jrp n GLY 48 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.17 3.85 -0.40 4.61 0.00 -0.05 -5.04 121.76 124.56 2jrp s ALA 49 Ca 0.00 -0.58 -0.21 0.00 0.00 0.00 0.00 51.96 51.16 2jrp s ALA 49 Cb 0.00 -2.06 0.01 0.00 0.00 0.00 0.00 23.12 21.07 2jrp s ALA 49 CO 0.00 0.66 0.68 0.08 0.00 0.00 0.00 175.76 177.18 2jrp s VAL 50 N -1.34 4.81 -0.27 0.00 1.01 -1.26 -1.34 120.40 122.01 2jrp s VAL 50 Ca 0.29 0.42 -0.08 0.00 0.00 0.00 0.00 61.98 62.61 2jrp s VAL 50 Cb -0.13 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 2jrp s VAL 50 CO 0.17 -0.50 0.09 -0.62 0.00 0.00 0.00 175.10 174.25 2jrp s ASP 51 N 1.94 5.24 -0.37 3.32 2.15 0.59 -4.80 116.67 124.74 2jrp s ASP 51 Ca 0.25 -0.37 -0.23 0.00 0.43 0.00 0.00 52.55 52.64 2jrp s ASP 51 Cb -0.14 -1.94 0.01 0.00 -0.30 0.00 0.00 42.92 40.55 2jrp s ASP 51 CO 0.18 -0.10 0.75 -0.31 -0.17 0.00 0.00 175.17 175.52 2jrp s TYR 52 N 1.60 3.11 -0.31 -5.34 1.51 -1.26 0.09 117.35 116.75 2jrp s TYR 52 Ca 0.05 0.47 0.02 0.00 -1.01 0.00 0.00 57.07 56.61 2jrp s TYR 52 Cb -0.16 -3.36 0.15 0.00 -0.11 0.00 0.00 41.96 38.49 2jrp s TYR 52 CO 0.04 -0.73 0.38 0.12 -1.11 0.00 0.00 175.55 174.25 2jrp s PHE 53 N 3.02 -0.73 -1.04 2.71 5.36 0.05 -4.74 117.98 122.61 2jrp s PHE 53 Ca 0.30 -0.08 -0.23 0.00 -0.96 0.00 0.00 56.93 55.96 2jrp s PHE 53 Cb -0.13 -0.28 0.04 0.00 -0.34 0.00 0.00 43.02 42.31 2jrp s PHE 53 CO 0.17 -0.97 1.55 0.00 -1.46 0.00 0.00 175.22 174.51 2jrp h GLN 55 N 9.70 0.00 -5.18 0.00 1.08 -1.89 0.23 115.11 119.05 2jrp h GLN 55 Ca 0.22 0.00 -0.64 0.00 -1.45 0.00 0.00 58.65 56.78 2jrp h GLN 55 Cb 0.99 0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 28.19 2jrp h GLN 55 CO 1.40 0.13 -0.67 1.21 -0.95 0.00 0.00 178.83 179.95 2jrp s ASN 56 N -5.99 4.78 0.00 1.46 3.84 -1.26 -3.87 114.94 113.91 2jrp s ASN 56 Ca -0.00 -0.19 0.00 0.00 0.21 0.00 0.00 52.86 52.88 2jrp s ASN 56 Cb 0.10 -1.80 0.00 0.00 -0.55 0.00 0.00 41.25 39.00 2jrp s ASN 56 CO 0.59 0.10 0.00 0.61 -2.79 0.00 0.00 177.10 175.61 2jrp n GLY 57 N 4.01 0.61 0.87 1.21 0.00 -1.26 -4.71 105.19 105.92 2jrp n GLY 57 Ca -0.17 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.69 -1.09 0.00 1.61 -0.00 -1.25 -5.10 115.22 106.70 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 0.22 0.00 0.00 -0.00 0.00 0.00 29.99 30.21 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 -1.43 1.11 3.35 1.57 0.00 0.80 -5.01 105.19 105.57 2jrp n GLY 59 Ca 0.00 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 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 0.28 -0.02 0.99 0.05 -1.26 -3.08 118.68 115.64 2jrp s LEU 60 Ca 0.00 0.35 0.04 0.00 0.05 0.00 0.00 54.13 54.58 2jrp s LEU 60 Cb 0.00 1.74 -0.01 0.00 -2.05 0.00 0.00 46.19 45.87 2jrp s LEU 60 CO 0.00 -0.49 -0.14 -0.63 -0.55 0.00 0.00 176.35 174.54 2jrp s ILE 61 N -1.20 1.13 0.13 1.48 1.09 -1.26 -5.09 121.20 117.48 2jrp s ILE 61 Ca -0.12 -0.60 -0.31 0.00 -1.10 0.00 0.00 60.65 58.52 2jrp s ILE 61 Cb -0.03 -0.95 -0.10 0.00 -1.06 0.00 0.00 42.46 40.31 2jrp s ILE 61 CO 0.06 0.32 1.78 -0.55 -0.10 0.00 0.00 174.94 176.46 2jrp s SER 62 N -0.22 6.45 0.01 3.58 0.15 -1.26 -4.85 113.70 117.56 2jrp s SER 62 Ca 0.03 2.73 0.08 0.00 0.70 0.00 0.00 55.95 59.50 2jrp s SER 62 Cb -0.07 -2.57 0.35 0.00 -1.71 0.00 0.00 66.02 62.02 2jrp s SER 62 CO -0.00 -0.98 1.26 0.29 1.20 0.00 0.00 173.24 175.01 2jrp n LYS 63 N 5.39 0.00 0.14 5.44 4.76 -1.26 -0.35 118.16 132.29 2jrp n LYS 63 Ca 0.17 0.37 0.10 0.00 -2.87 0.00 0.00 58.31 56.08 2jrp n LYS 63 Cb 0.38 -1.51 0.05 0.00 -1.84 0.00 0.00 35.03 32.11 2jrp n LYS 63 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2jrp h LYS 64 N 0.00 0.00 -0.28 1.97 3.64 -2.06 -3.33 116.57 116.51 2jrp h LYS 64 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jrp h LYS 64 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2jrp h LYS 64 CO 0.00 0.07 0.00 0.54 -2.27 0.00 0.00 179.45 177.79 2jrp n ARG 65 N -2.90 2.86 -2.63 1.90 1.74 0.53 -4.98 116.66 113.17 2jrp n ARG 65 Ca 0.01 -2.15 -0.41 0.00 -0.77 0.00 0.00 57.85 54.53 2jrp n ARG 65 Cb 0.59 -1.35 -0.05 0.00 -1.02 0.00 0.00 32.46 30.63 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 -1.40 3.99 -1.32 1.55 1.01 -0.96 -4.83 120.40 118.44 2jrp s VAL 66 Ca 0.24 1.85 -0.09 0.00 0.00 0.00 0.00 61.98 63.98 2jrp s VAL 66 Cb 0.15 -4.18 0.13 0.00 0.00 0.00 0.00 36.38 32.49 2jrp s VAL 66 CO 0.12 0.38 2.07 -3.20 0.00 0.00 0.00 175.10 174.47 2jrp n ASN 67 N 1.91 5.76 -4.63 3.32 5.15 0.46 -4.90 115.26 122.32 2jrp n ASN 67 Ca 0.00 -3.07 -0.42 0.00 -0.60 0.00 0.00 54.58 50.49 2jrp n ASN 67 Cb 0.47 -1.47 -0.04 0.00 -0.53 0.00 0.00 39.78 38.20 2jrp n ASN 67 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 2jrp s PHE 68 N 0.39 3.26 0.42 1.20 -0.12 -1.26 -0.98 117.98 120.89 2jrp s PHE 68 Ca 0.45 1.06 0.04 0.00 -0.05 0.00 0.00 56.93 58.42 2jrp s PHE 68 Cb 0.12 -3.19 -0.04 0.00 -0.63 0.00 0.00 43.02 39.28 2jrp s PHE 68 CO -0.03 -0.50 0.05 0.14 -0.05 0.00 0.00 175.22 174.83 2jrp s VAL 69 N 3.00 1.17 -0.43 -2.49 -7.23 -0.55 -4.88 120.40 109.00 2jrp s VAL 69 Ca 0.36 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.25 2jrp s VAL 69 Cb -0.15 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.30 2jrp s VAL 69 CO 0.10 0.00 1.03 -0.63 -0.31 0.00 0.00 175.10 175.29 2jrp s ILE 70 N -3.03 4.40 -0.42 -0.62 1.01 -1.26 -1.41 121.20 119.87 2jrp s ILE 70 Ca 0.23 1.18 0.04 0.00 0.00 0.00 0.00 60.65 62.10 2jrp s ILE 70 Cb 0.05 -4.48 0.17 0.00 0.01 0.00 0.00 42.46 38.21 2jrp s ILE 70 CO 0.12 -0.79 0.33 -0.55 0.00 0.00 0.00 174.94 174.05 2jrp s SER 71 N 2.17 1.73 0.08 3.58 0.15 0.39 -4.96 113.70 116.84 2jrp s SER 71 Ca 0.43 -3.00 0.23 0.00 0.70 0.00 0.00 55.95 54.31 2jrp s SER 71 Cb -0.10 -0.48 -0.02 0.00 -1.71 0.00 0.00 66.02 63.71 2jrp s SER 71 CO 0.25 -0.18 0.95 -0.90 1.20 0.00 0.00 173.24 174.56 2jrp n ASP 72 N 2.94 0.58 -3.86 5.45 5.75 -1.24 -4.56 116.55 121.62 2jrp n ASP 72 Ca 0.27 -0.03 -0.30 0.00 -0.01 0.00 0.00 54.79 54.72 2jrp n ASP 72 Cb 0.46 0.89 -0.14 0.00 -1.03 0.00 0.00 41.12 41.30 2jrp n ASP 72 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2jrp s GLN 73 N -3.29 1.57 0.11 0.11 -1.52 -1.26 -4.84 119.66 110.54 2jrp s GLN 73 Ca 0.01 -2.19 -0.00 0.00 -1.95 0.00 0.00 55.36 51.22 2jrp s GLN 73 Cb 0.13 -2.85 0.02 0.00 -0.22 0.00 0.00 33.01 30.09 2jrp s GLN 73 CO 0.81 -1.10 0.15 1.28 -0.25 0.00 0.00 175.29 176.19 2jrp n LEU 74 N 3.54 0.00 0.06 2.90 4.77 -1.26 -4.98 117.00 122.03 2jrp n LEU 74 Ca 0.06 -0.28 0.02 0.00 -0.03 0.00 0.00 56.01 55.77 2jrp n LEU 74 Cb 0.35 -0.10 0.37 0.00 -2.33 0.00 0.00 43.42 41.71 2jrp n LEU 74 CO 0.27 -0.58 0.97 -0.33 -1.33 0.00 0.00 177.39 176.39 2jrp h GLU 75 N 0.00 0.40 0.00 3.23 5.08 -2.02 -3.46 114.58 117.81 2jrp h GLU 75 Ca -0.05 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2jrp h GLU 75 Cb 0.17 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2jrp h GLU 75 CO 0.05 0.42 0.00 0.72 -1.00 0.00 0.00 179.01 179.20 2jrp n HIS 76 N -4.33 0.00 -3.21 4.33 8.25 -1.26 -3.53 115.22 115.48 2jrp n HIS 76 Ca 0.01 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.28 2jrp n HIS 76 Cb 0.21 -1.09 0.02 0.00 1.12 0.00 0.00 29.99 30.25 2jrp n HIS 76 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jrp n HIS 77 N -2.39 -2.99 -1.89 4.41 -0.00 -1.26 -4.75 115.22 106.36 2jrp n HIS 77 Ca 0.00 1.21 -0.28 0.00 0.46 0.00 0.00 57.72 59.11 2jrp n HIS 77 Cb 0.25 -3.21 -0.05 0.00 -0.12 0.00 0.00 29.99 26.86 2jrp n HIS 77 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jrp s HIS 78 N -2.36 1.55 -0.26 1.57 3.76 -1.23 -4.92 115.29 113.40 2jrp s HIS 78 Ca 0.22 1.07 -0.15 0.00 -0.15 0.00 0.00 55.06 56.05 2jrp s HIS 78 Cb -0.04 -3.87 -0.04 0.00 1.11 0.00 0.00 32.58 29.74 2jrp s HIS 78 CO 0.82 -1.93 0.35 -3.38 -0.85 0.00 0.00 174.74 169.75 2jrp s HIS 79 N 11.11 3.26 -0.26 1.40 -3.43 -1.26 -5.05 115.29 121.06 2jrp s HIS 79 Ca 0.77 0.40 -0.22 0.00 -0.80 0.00 0.00 55.06 55.21 2jrp s HIS 79 Cb -0.11 -2.54 -0.01 0.00 -1.43 0.00 0.00 32.58 28.49 2jrp s HIS 79 CO 0.09 -0.19 0.73 -1.01 -2.00 0.00 0.00 174.74 172.36 2jrp s HIS 80 N 1.93 3.28 0.00 0.38 3.76 -1.26 -5.28 115.29 118.09 2jrp s HIS 80 Ca 0.14 0.93 0.00 0.00 -0.15 0.00 0.00 55.06 55.98 2jrp s HIS 80 Cb -0.16 -2.99 0.00 0.00 1.11 0.00 0.00 32.58 30.54 2jrp s HIS 80 CO 0.10 -0.40 0.00 0.72 -0.85 0.00 0.00 174.74 174.30