#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 4.19 -0.40 2.12 8.01 -1.26 -4.93 118.70 126.43 2jrp s GLU 2 Ca 0.00 2.36 -0.28 0.00 0.01 0.00 0.00 54.97 57.06 2jrp s GLU 2 Cb 0.00 -3.66 -0.02 0.00 -4.31 0.00 0.00 34.13 26.14 2jrp s GLU 2 CO 0.00 -0.77 1.77 0.96 0.01 0.00 0.00 175.26 177.24 2jrp s ILE 3 N 2.86 3.49 -0.04 -1.63 -4.36 -1.26 -4.96 121.20 115.30 2jrp s ILE 3 Ca 0.75 0.47 0.03 0.00 -0.26 0.00 0.00 60.65 61.65 2jrp s ILE 3 Cb -0.40 -3.76 0.00 0.00 1.25 0.00 0.00 42.46 39.55 2jrp s ILE 3 CO 0.33 -0.55 -0.14 -0.89 0.24 0.00 0.00 174.94 173.93 2jrp s THR 4 N 7.23 1.16 0.16 8.37 2.01 -1.26 -0.91 115.64 132.40 2jrp s THR 4 Ca 0.75 -0.56 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 2jrp s THR 4 Cb -0.19 -1.02 -0.08 0.00 0.01 0.00 0.00 72.50 71.22 2jrp s THR 4 CO 0.31 0.35 1.33 0.00 -0.69 0.00 0.00 174.62 175.91 2jrp n PRO 6 N 3.18 0.00 0.16 0.00 -0.02 -1.26 -2.09 135.00 134.97 2jrp n PRO 6 Ca 0.08 0.30 0.01 0.00 -2.02 0.00 0.00 63.50 61.88 2jrp n PRO 6 Cb 0.43 -1.26 0.23 0.00 -0.02 0.00 0.00 33.50 32.88 2jrp n PRO 6 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2jrp h VAL 7 N 0.00 1.23 -0.83 -1.45 -1.51 -2.06 -2.95 116.25 108.69 2jrp h VAL 7 Ca 0.00 -1.89 -0.53 0.00 -1.23 0.00 0.00 66.70 63.06 2jrp h VAL 7 Cb 0.00 2.06 -0.25 0.00 -2.13 0.00 0.00 31.29 30.97 2jrp h VAL 7 CO 0.00 0.51 0.68 0.00 -1.23 0.00 0.00 177.57 177.53 2jrp n HIS 9 N -0.62 0.52 -2.66 0.00 -0.00 -0.89 -4.66 115.22 106.92 2jrp n HIS 9 Ca 0.52 0.23 -0.03 0.00 0.46 0.00 0.00 57.72 58.89 2jrp n HIS 9 Cb 0.89 -1.89 0.10 0.00 -0.12 0.00 0.00 29.99 28.96 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 10.07 -0.19 -1.45 1.57 -0.00 -1.26 -5.02 115.22 118.93 2jrp n HIS 10 Ca 0.63 -0.59 0.06 0.00 -0.00 0.00 0.00 57.72 57.82 2jrp n HIS 10 Cb 0.13 1.08 -0.03 0.00 -0.00 0.00 0.00 29.99 31.17 2jrp n HIS 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jrp n ALA 11 N 1.01 -2.52 -2.53 1.57 0.00 -1.26 -4.65 120.51 112.13 2jrp n ALA 11 Ca -0.03 0.59 -0.23 0.00 0.00 0.00 0.00 53.44 53.77 2jrp n ALA 11 Cb 0.74 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 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 -5.97 3.29 -0.27 0.00 1.43 -0.09 -4.36 118.68 112.71 2jrp s LEU 12 Ca 0.00 -0.74 0.01 0.00 -1.03 0.00 0.00 54.13 52.38 2jrp s LEU 12 Cb 0.00 -1.78 0.05 0.00 0.03 0.00 0.00 46.19 44.50 2jrp s LEU 12 CO 0.00 -0.27 -0.08 -0.70 0.23 0.00 0.00 176.35 175.53 2jrp s GLU 13 N -3.84 2.37 -0.01 1.70 2.12 0.99 -4.88 118.70 117.14 2jrp s GLU 13 Ca 0.37 -1.28 -0.30 0.00 0.36 0.00 0.00 54.97 54.12 2jrp s GLU 13 Cb -0.03 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 31.35 2jrp s GLU 13 CO 0.23 -0.56 1.07 -0.98 -0.54 0.00 0.00 175.26 174.48 2jrp s ARG 14 N 1.17 4.48 0.20 4.30 1.70 -1.26 -1.36 118.95 128.17 2jrp s ARG 14 Ca -0.07 1.54 0.25 0.00 -0.47 0.00 0.00 55.73 56.98 2jrp s ARG 14 Cb -0.19 -3.46 0.47 0.00 -0.57 0.00 0.00 34.95 31.20 2jrp s ARG 14 CO -0.04 -0.20 1.49 -0.97 -1.08 0.00 0.00 175.30 174.50 2jrp h ASN 15 N 6.94 0.00 0.00 -2.89 -0.00 -1.42 -3.48 115.58 114.74 2jrp h ASN 15 Ca -0.38 -0.09 0.00 0.00 -0.00 0.00 0.00 56.30 55.83 2jrp h ASN 15 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.52 2jrp h ASN 15 CO 0.80 0.05 0.00 0.61 -0.00 0.00 0.00 177.43 178.89 2jrp n GLY 16 N 1.28 2.25 0.12 1.57 0.00 -1.26 -4.70 105.19 104.45 2jrp n GLY 16 Ca 0.04 -0.69 0.08 0.00 0.00 0.00 0.00 46.02 45.44 2jrp n GLY 16 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2jrp h ASP 17 N 0.00 0.00 -3.19 1.61 2.03 -1.95 -3.47 116.42 111.46 2jrp h ASP 17 Ca 0.00 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 55.84 2jrp h ASP 17 Cb 0.00 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 38.36 2jrp h ASP 17 CO 0.00 0.19 -0.67 0.42 -1.03 0.00 0.00 179.24 178.15 2jrp s THR 18 N -3.21 1.47 0.13 1.15 -4.23 -1.26 -4.14 115.64 105.54 2jrp s THR 18 Ca -0.01 -2.09 0.07 0.00 -1.18 0.00 0.00 61.69 58.48 2jrp s THR 18 Cb 0.09 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 2jrp s THR 18 CO 0.79 -0.30 -0.04 0.00 -0.54 0.00 0.00 174.62 174.53 2jrp s ALA 19 N -3.13 3.14 -0.04 3.99 0.00 -0.23 -1.04 121.76 124.46 2jrp s ALA 19 Ca 0.29 -1.26 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 2jrp s ALA 19 Cb 0.04 -1.02 0.02 0.00 0.00 0.00 0.00 23.12 22.17 2jrp s ALA 19 CO 0.11 0.60 0.09 -1.58 0.00 0.00 0.00 175.76 174.98 2jrp s HIS 20 N -1.44 -0.09 -0.40 0.00 5.04 -0.46 0.14 115.29 118.08 2jrp s HIS 20 Ca 0.25 0.28 -0.29 0.00 -1.54 0.00 0.00 55.06 53.76 2jrp s HIS 20 Cb -0.11 -0.06 0.02 0.00 0.04 0.00 0.00 32.58 32.48 2jrp s HIS 20 CO 0.17 -0.09 1.15 0.00 -2.34 0.00 0.00 174.74 173.63 2jrp n GLU 22 N 7.45 0.24 0.00 0.00 0.00 -1.26 -3.48 120.64 123.58 2jrp n GLU 22 Ca 0.13 0.09 0.11 0.00 0.00 0.00 0.00 57.16 57.49 2jrp n GLU 22 Cb 0.48 -1.67 0.13 0.00 0.00 0.00 0.00 31.44 30.37 2jrp n GLU 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2jrp n THR 23 N -2.03 0.01 -3.42 3.84 -1.04 -1.26 -4.99 114.28 105.40 2jrp n THR 23 Ca 0.04 -0.02 -0.02 0.00 -2.04 0.00 0.00 64.05 62.01 2jrp n THR 23 Cb 0.42 0.46 -0.00 0.00 -1.82 0.00 0.00 70.33 69.39 2jrp n THR 23 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jrp n ALA 25 N -2.62 4.52 -3.25 0.00 0.00 -1.26 -4.69 120.51 113.20 2jrp n ALA 25 Ca -0.02 -4.78 -0.15 0.00 0.00 0.00 0.00 53.44 48.49 2jrp n ALA 25 Cb 0.10 -1.34 -0.15 0.00 0.00 0.00 0.00 19.45 18.05 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 -2.73 0.24 -0.05 0.00 1.02 -1.26 -5.04 119.74 111.92 2jrp s LYS 26 Ca 0.38 -0.01 0.06 0.00 0.02 0.00 0.00 55.97 56.42 2jrp s LYS 26 Cb 0.13 -0.33 -0.01 0.00 -0.52 0.00 0.00 37.83 37.10 2jrp s LYS 26 CO 0.01 -0.04 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.65 2jrp s ASP 27 N 0.46 2.95 -0.15 2.83 1.01 -1.26 -0.09 116.67 122.41 2jrp s ASP 27 Ca -0.04 -0.49 0.01 0.00 0.71 0.00 0.00 52.55 52.74 2jrp s ASP 27 Cb -0.07 -0.74 -0.00 0.00 1.01 0.00 0.00 42.92 43.12 2jrp s ASP 27 CO -0.01 0.24 -0.16 -0.36 0.21 0.00 0.00 175.17 175.09 2jrp s PHE 28 N -0.21 2.77 -0.13 4.23 0.08 0.12 -4.99 117.98 119.85 2jrp s PHE 28 Ca -0.02 -1.08 -0.29 0.00 0.12 0.00 0.00 56.93 55.66 2jrp s PHE 28 Cb -0.13 -1.88 -0.02 0.00 -0.57 0.00 0.00 43.02 40.43 2jrp s PHE 28 CO 0.03 -0.49 1.19 -1.12 -0.10 0.00 0.00 175.22 174.73 2jrp s SER 29 N 0.82 7.02 -0.23 1.36 0.01 -1.26 -1.06 113.70 120.35 2jrp s SER 29 Ca -0.05 1.68 -0.10 0.00 1.31 0.00 0.00 55.95 58.79 2jrp s SER 29 Cb -0.15 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.48 2jrp s SER 29 CO -0.00 -0.66 0.15 -0.76 0.41 0.00 0.00 173.24 172.37 2jrp s LEU 30 N 2.90 4.09 -0.43 2.44 1.43 -1.26 -1.97 118.68 125.88 2jrp s LEU 30 Ca 0.53 0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 53.70 2jrp s LEU 30 Cb -0.22 -2.09 0.11 0.00 0.03 0.00 0.00 46.19 44.02 2jrp s LEU 30 CO 0.16 0.08 0.25 -1.10 0.23 0.00 0.00 176.35 175.96 2jrp s GLN 31 N 1.00 2.13 -0.64 1.70 -1.52 0.80 -4.90 119.66 118.22 2jrp s GLN 31 Ca 0.07 -1.83 -0.26 0.00 -1.95 0.00 0.00 55.36 51.39 2jrp s GLN 31 Cb -0.13 -3.67 -0.03 0.00 -0.22 0.00 0.00 33.01 28.96 2jrp s GLN 31 CO 0.04 -1.11 1.90 0.00 -0.25 0.00 0.00 175.29 175.87 2jrp s ALA 32 N 1.16 2.09 0.05 6.09 0.00 -1.26 -0.50 121.76 129.38 2jrp s ALA 32 Ca 0.08 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.34 2jrp s ALA 32 Cb -0.23 -4.34 -0.04 0.00 0.00 0.00 0.00 23.12 18.51 2jrp s ALA 32 CO -0.03 -4.03 0.07 -1.17 0.00 0.00 0.00 175.76 170.59 2jrp s LEU 33 N 9.34 3.80 -0.42 0.00 2.96 0.42 -4.61 118.68 130.17 2jrp s LEU 33 Ca 0.69 0.03 -0.17 0.00 -0.22 0.00 0.00 54.13 54.46 2jrp s LEU 33 Cb -0.12 -2.37 0.02 0.00 0.50 0.00 0.00 46.19 44.22 2jrp s LEU 33 CO 0.18 0.21 0.44 0.00 -1.32 0.00 0.00 176.35 175.86 2jrp h PRO 35 N 8.73 0.63 0.00 0.00 0.11 -1.94 -3.11 132.00 136.42 2jrp h PRO 35 Ca -0.26 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2jrp h PRO 35 Cb 1.11 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2jrp h PRO 35 CO 0.79 0.42 0.00 -3.47 -0.21 0.00 0.00 178.00 175.53 2jrp n ASP 36 N -4.52 0.00 -4.52 -2.05 -0.08 -1.26 -4.24 116.55 99.88 2jrp n ASP 36 Ca 0.15 0.18 -0.43 0.00 -1.51 0.00 0.00 54.79 53.18 2jrp n ASP 36 Cb 0.42 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.87 2jrp n ASP 36 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jrp s ARG 38 N 3.35 3.60 0.08 0.00 3.52 -1.17 -4.70 118.95 123.63 2jrp s ARG 38 Ca 0.45 -1.27 -0.10 0.00 -0.13 0.00 0.00 55.73 54.67 2jrp s ARG 38 Cb -0.01 -5.27 0.01 0.00 -1.56 0.00 0.00 34.95 28.12 2jrp s ARG 38 CO -0.02 -2.12 0.23 -0.65 -0.81 0.00 0.00 175.30 171.93 2jrp s GLN 39 N 4.49 0.84 -0.35 5.12 -0.21 -1.26 -5.09 119.66 123.20 2jrp s GLN 39 Ca 0.43 -0.83 -0.41 0.00 0.02 0.00 0.00 55.36 54.58 2jrp s GLN 39 Cb -0.01 0.35 -0.16 0.00 1.00 0.00 0.00 33.01 34.19 2jrp s GLN 39 CO -0.10 -0.27 1.84 -2.30 -2.12 0.00 0.00 175.29 172.35 2jrp n PRO 40 N 0.10 0.84 -1.63 2.91 -0.02 -1.26 -4.82 135.00 131.12 2jrp n PRO 40 Ca -0.16 0.29 -0.30 0.00 -2.02 0.00 0.00 63.50 61.31 2jrp n PRO 40 Cb 0.62 -2.00 0.19 0.00 -0.02 0.00 0.00 33.50 32.28 2jrp n PRO 40 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2jrp s LEU 41 N 4.38 2.03 -0.20 2.45 1.02 -1.26 -5.01 118.68 122.09 2jrp s LEU 41 Ca 1.04 0.51 -0.23 0.00 0.02 0.00 0.00 54.13 55.47 2jrp s LEU 41 Cb -1.15 -2.54 -0.02 0.00 0.02 0.00 0.00 46.19 42.50 2jrp s LEU 41 CO 0.66 -3.04 0.74 -1.10 0.02 0.00 0.00 176.35 173.63 2jrp s GLN 42 N -5.64 4.24 -0.73 1.70 -0.21 -1.24 -4.89 119.66 112.90 2jrp s GLN 42 Ca 0.71 0.83 -0.27 0.00 0.02 0.00 0.00 55.36 56.65 2jrp s GLN 42 Cb -0.08 -3.59 0.02 0.00 1.00 0.00 0.00 33.01 30.36 2jrp s GLN 42 CO 0.54 -0.33 1.37 0.08 -2.12 0.00 0.00 175.29 174.83 2jrp s VAL 43 N 2.19 3.67 -0.94 1.09 1.01 -1.26 -2.39 120.40 123.77 2jrp s VAL 43 Ca 0.33 0.36 -0.19 0.00 0.00 0.00 0.00 61.98 62.48 2jrp s VAL 43 Cb -0.16 -4.77 0.13 0.00 0.00 0.00 0.00 36.38 31.58 2jrp s VAL 43 CO 0.11 -1.72 1.15 -0.76 0.00 0.00 0.00 175.10 173.88 2jrp s LEU 44 N 6.24 4.97 -0.67 3.92 1.43 0.14 -4.86 118.68 129.85 2jrp s LEU 44 Ca 0.40 -2.04 -0.24 0.00 -1.03 0.00 0.00 54.13 51.22 2jrp s LEU 44 Cb -0.09 -2.41 0.06 0.00 0.03 0.00 0.00 46.19 43.79 2jrp s LEU 44 CO 0.15 -1.08 1.04 -1.59 0.23 0.00 0.00 176.35 175.10 2jrp s LYS 45 N 2.78 3.14 -1.15 1.70 -2.85 -1.26 -1.06 119.74 121.03 2jrp s LYS 45 Ca 0.34 -0.66 -0.18 0.00 -1.00 0.00 0.00 55.97 54.47 2jrp s LYS 45 Cb -0.04 -4.21 0.11 0.00 -2.06 0.00 0.00 37.83 31.63 2jrp s LYS 45 CO -0.09 -1.88 1.47 0.00 0.10 0.00 0.00 175.35 174.96 2jrp s ALA 46 N 4.45 3.45 -1.64 0.59 0.00 0.47 -4.25 121.76 124.84 2jrp s ALA 46 Ca 0.26 -2.93 0.00 0.00 0.00 0.00 0.00 51.96 49.29 2jrp s ALA 46 Cb -0.15 -4.34 0.00 0.00 0.00 0.00 0.00 23.12 18.63 2jrp s ALA 46 CO 0.12 -3.12 0.00 0.00 0.00 0.00 0.00 175.76 172.76 2jrp n GLY 48 N -0.95 1.18 3.80 0.00 0.00 -1.26 -5.13 105.19 102.83 2jrp n GLY 48 Ca -0.18 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 3.24 0.09 4.61 0.00 -1.25 -4.96 121.76 123.49 2jrp s ALA 49 Ca 0.00 0.38 -0.04 0.00 0.00 0.00 0.00 51.96 52.30 2jrp s ALA 49 Cb 0.00 -3.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.01 2jrp s ALA 49 CO 0.00 0.21 0.31 0.14 0.00 0.00 0.00 175.76 176.42 2jrp s VAL 50 N -1.72 5.25 -0.08 0.00 -7.23 -1.26 -0.39 120.40 114.97 2jrp s VAL 50 Ca 0.51 -0.06 -0.04 0.00 -1.81 0.00 0.00 61.98 60.58 2jrp s VAL 50 Cb -0.16 -3.62 0.04 0.00 0.56 0.00 0.00 36.38 33.21 2jrp s VAL 50 CO 0.21 0.13 0.18 -0.62 -0.31 0.00 0.00 175.10 174.69 2jrp s ASP 51 N -2.31 -0.16 -0.36 4.85 -1.08 -0.23 -4.63 116.67 112.76 2jrp s ASP 51 Ca 0.37 0.37 -0.18 0.00 -0.52 0.00 0.00 52.55 52.58 2jrp s ASP 51 Cb -0.13 0.26 -0.00 0.00 -1.46 0.00 0.00 42.92 41.59 2jrp s ASP 51 CO 0.24 -0.15 0.52 -0.31 0.52 0.00 0.00 175.17 175.98 2jrp s TYR 52 N 1.17 3.17 -0.14 -5.34 1.51 -1.26 0.24 117.35 116.70 2jrp s TYR 52 Ca -0.09 0.15 -0.07 0.00 -1.01 0.00 0.00 57.07 56.04 2jrp s TYR 52 Cb -0.11 -2.94 0.05 0.00 -0.11 0.00 0.00 41.96 38.85 2jrp s TYR 52 CO -0.07 -0.56 0.34 0.12 -1.11 0.00 0.00 175.55 174.27 2jrp s PHE 53 N 2.40 -0.48 -0.96 2.71 5.36 -1.00 -4.81 117.98 121.18 2jrp s PHE 53 Ca 0.19 1.07 -0.24 0.00 -0.96 0.00 0.00 56.93 56.98 2jrp s PHE 53 Cb -0.15 0.17 -0.03 0.00 -0.34 0.00 0.00 43.02 42.66 2jrp s PHE 53 CO 0.14 -0.30 1.85 0.00 -1.46 0.00 0.00 175.22 175.45 2jrp h GLN 55 N 10.76 0.00 0.00 0.00 4.15 -1.91 -2.30 115.11 125.81 2jrp h GLN 55 Ca 0.14 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.36 2jrp h GLN 55 Cb 0.99 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.66 2jrp h GLN 55 CO 1.26 0.96 -1.53 0.09 -1.93 0.00 0.00 178.83 177.68 2jrp n ASN 56 N -4.58 1.34 -4.96 -0.69 5.03 -1.26 -4.78 115.26 105.35 2jrp n ASN 56 Ca -0.14 0.22 -0.22 0.00 0.87 0.00 0.00 54.58 55.32 2jrp n ASN 56 Cb 0.50 -0.53 0.04 0.00 -1.02 0.00 0.00 39.78 38.77 2jrp n ASN 56 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2jrp s GLY 57 N -5.07 1.77 0.00 7.41 0.00 -1.26 -4.67 107.32 105.50 2jrp s GLY 57 Ca -0.22 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.28 2jrp s GLY 57 CO 0.29 -0.93 0.00 1.42 0.00 0.00 0.00 173.10 173.88 2jrp n HIS 58 N -2.41 0.00 0.00 1.90 8.25 -1.26 -4.61 115.22 117.09 2jrp n HIS 58 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2jrp n HIS 58 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 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 0.00 3.14 3.57 -1.41 0.00 -1.26 -5.05 105.19 104.18 2jrp n GLY 59 Ca 0.00 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 2.63 -4.73 0.99 -0.00 -0.87 -4.61 117.00 110.41 2jrp n LEU 60 Ca 0.00 -0.28 -0.40 0.00 -0.00 0.00 0.00 56.01 55.32 2jrp n LEU 60 Cb 0.00 -1.58 -0.04 0.00 -0.00 0.00 0.00 43.42 41.80 2jrp n LEU 60 CO 0.00 -1.29 0.53 -0.63 -0.00 0.00 0.00 177.39 175.99 2jrp s ILE 61 N 10.99 4.77 0.23 1.47 -1.09 -1.26 -5.00 121.20 131.30 2jrp s ILE 61 Ca 0.99 1.75 -0.31 0.00 -2.23 0.00 0.00 60.65 60.85 2jrp s ILE 61 Cb -0.23 -4.17 -0.15 0.00 -1.58 0.00 0.00 42.46 36.33 2jrp s ILE 61 CO 0.29 0.30 1.13 -1.20 -1.23 0.00 0.00 174.94 174.23 2jrp n SER 62 N 3.17 1.50 0.29 3.58 7.64 -1.26 -4.73 113.62 123.81 2jrp n SER 62 Ca 0.00 1.16 0.19 0.00 1.01 0.00 0.00 58.87 61.23 2jrp n SER 62 Cb 0.50 -1.27 0.93 0.00 -1.01 0.00 0.00 64.21 63.36 2jrp n SER 62 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2jrp h LYS 63 N 2.93 0.00 0.00 1.43 3.64 -1.95 0.41 116.57 123.03 2jrp h LYS 63 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2jrp h LYS 63 Cb 1.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 2jrp h LYS 63 CO 0.67 0.00 0.00 0.87 -2.27 0.00 0.00 179.45 178.72 2jrp h LYS 64 N 0.00 0.00 -0.01 1.90 1.57 -2.04 -3.03 116.57 114.95 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 -0.35 0.54 -0.57 0.00 0.00 179.45 179.07 2jrp n ARG 65 N -2.47 1.55 -2.52 3.15 1.74 0.14 -4.93 116.66 113.32 2jrp n ARG 65 Ca 0.04 -0.92 -0.42 0.00 -0.77 0.00 0.00 57.85 55.77 2jrp n ARG 65 Cb 0.38 -1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 30.45 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 -2.03 4.39 -0.58 1.55 1.01 -0.87 -4.55 120.40 119.32 2jrp s VAL 66 Ca 0.15 1.70 -0.19 0.00 0.00 0.00 0.00 61.98 63.65 2jrp s VAL 66 Cb 0.15 -4.10 0.09 0.00 0.00 0.00 0.00 36.38 32.52 2jrp s VAL 66 CO 0.44 0.02 0.70 0.21 0.00 0.00 0.00 175.10 176.47 2jrp s ASN 67 N 1.33 6.19 -0.65 3.32 3.04 0.44 -4.87 114.94 123.75 2jrp s ASN 67 Ca 0.54 -1.32 -0.27 0.00 0.04 0.00 0.00 52.86 51.85 2jrp s ASN 67 Cb -0.23 -2.31 -0.01 0.00 -1.54 0.00 0.00 41.25 37.17 2jrp s ASN 67 CO 0.22 -1.09 1.68 -0.36 -3.04 0.00 0.00 177.10 174.51 2jrp s PHE 68 N 2.74 1.85 -0.19 0.43 0.40 -1.26 -0.44 117.98 121.52 2jrp s PHE 68 Ca 0.13 0.54 -0.15 0.00 -0.60 0.00 0.00 56.93 56.84 2jrp s PHE 68 Cb -0.23 -4.25 -0.04 0.00 0.51 0.00 0.00 43.02 39.01 2jrp s PHE 68 CO 0.07 -2.24 0.36 0.08 0.70 0.00 0.00 175.22 174.20 2jrp s VAL 69 N 8.04 5.23 -0.76 -0.44 1.01 0.35 -4.81 120.40 129.01 2jrp s VAL 69 Ca 0.58 0.65 -0.26 0.00 0.00 0.00 0.00 61.98 62.95 2jrp s VAL 69 Cb -0.11 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 2jrp s VAL 69 CO 0.19 0.29 1.71 -0.63 0.00 0.00 0.00 175.10 176.66 2jrp s ILE 70 N 1.08 3.53 -0.21 2.22 1.01 -1.26 -0.14 121.20 127.42 2jrp s ILE 70 Ca 0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.77 2jrp s ILE 70 Cb -0.14 -4.30 0.10 0.00 0.01 0.00 0.00 42.46 38.13 2jrp s ILE 70 CO 0.07 -1.25 0.26 -0.55 0.00 0.00 0.00 174.94 173.47 2jrp s SER 71 N 6.78 1.12 -0.61 3.58 0.15 -0.83 -4.99 113.70 118.90 2jrp s SER 71 Ca 0.59 -0.13 -0.27 0.00 0.70 0.00 0.00 55.95 56.84 2jrp s SER 71 Cb -0.09 0.55 0.03 0.00 -1.71 0.00 0.00 66.02 64.81 2jrp s SER 71 CO 0.10 -0.32 1.16 1.51 1.20 0.00 0.00 173.24 176.89 2jrp s ASP 72 N 2.38 6.36 -0.24 5.45 -4.77 -1.26 -4.69 116.67 119.90 2jrp s ASP 72 Ca 0.08 -0.12 0.13 0.00 -3.30 0.00 0.00 52.55 49.34 2jrp s ASP 72 Cb -0.16 -2.53 0.51 0.00 -1.09 0.00 0.00 42.92 39.66 2jrp s ASP 72 CO -0.13 -1.50 1.45 0.00 0.70 0.00 0.00 175.17 175.68 2jrp n GLN 73 N 8.42 2.32 0.18 2.11 -0.00 -1.26 -4.27 117.38 124.88 2jrp n GLN 73 Ca 0.06 -3.00 0.04 0.00 -0.00 0.00 0.00 57.00 54.09 2jrp n GLN 73 Cb 0.49 -1.83 0.43 0.00 -0.00 0.00 0.00 30.24 29.33 2jrp n GLN 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2jrp h LEU 74 N 1.32 0.07 -2.31 2.61 5.85 -2.01 -1.34 115.31 119.51 2jrp h LEU 74 Ca 0.13 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2jrp h LEU 74 Cb 1.58 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.59 2jrp h LEU 74 CO 0.32 0.29 0.00 -1.84 -0.34 0.00 0.00 178.44 176.87 2jrp n GLU 75 N -4.26 2.35 -2.45 1.25 0.00 -1.26 -4.98 120.64 111.29 2jrp n GLU 75 Ca -0.02 -2.16 -0.02 0.00 0.00 0.00 0.00 57.16 54.96 2jrp n GLU 75 Cb 0.29 -1.46 0.00 0.00 0.00 0.00 0.00 31.44 30.27 2jrp n GLU 75 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2jrp n HIS 76 N 1.31 -2.88 -1.57 -1.84 8.25 -0.50 -4.83 115.22 113.17 2jrp n HIS 76 Ca 0.17 1.24 -0.41 0.00 -0.26 0.00 0.00 57.72 58.46 2jrp n HIS 76 Cb 0.56 -3.42 -0.04 0.00 1.12 0.00 0.00 29.99 28.21 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 0.21 1.72 -3.81 4.41 -0.00 -1.26 -4.90 115.22 111.60 2jrp n HIS 77 Ca 0.03 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.95 2jrp n HIS 77 Cb 0.12 -2.67 -0.17 0.00 -0.12 0.00 0.00 29.99 27.15 2jrp n HIS 77 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jrp s HIS 78 N 9.58 1.18 -0.00 1.57 5.04 -1.26 -5.05 115.29 126.35 2jrp s HIS 78 Ca 1.02 -0.71 -0.19 0.00 -1.54 0.00 0.00 55.06 53.64 2jrp s HIS 78 Cb -0.35 -1.07 -0.10 0.00 0.04 0.00 0.00 32.58 31.10 2jrp s HIS 78 CO 0.34 -0.52 0.87 0.45 -2.34 0.00 0.00 174.74 173.54 2jrp h HIS 79 N 8.22 -0.63 0.00 3.88 3.86 -2.03 -3.46 115.15 124.99 2jrp h HIS 79 Ca -0.21 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 2jrp h HIS 79 Cb 1.12 0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.80 2jrp h HIS 79 CO 0.41 -0.39 0.00 1.58 0.86 0.00 0.00 177.93 180.39 2jrp n HIS 80 N -4.77 0.00 -0.88 2.45 -0.00 -1.26 -5.33 115.22 105.43 2jrp n HIS 80 Ca -0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.10 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 -2.39 0.46 0.00 0.00 176.34 174.41