#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 -1.36 -2.27 0.03 4.07 -1.26 -4.83 120.64 115.02 2jrp n GLU 2 Ca 0.00 1.09 -0.42 0.00 -0.06 0.00 0.00 57.16 57.77 2jrp n GLU 2 Cb 0.00 -1.48 -0.03 0.00 -0.06 0.00 0.00 31.44 29.87 2jrp n GLU 2 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 2jrp s ILE 3 N -3.85 3.68 0.04 6.31 -4.36 -1.26 -4.98 121.20 116.79 2jrp s ILE 3 Ca 0.00 1.17 0.07 0.00 -0.26 0.00 0.00 60.65 61.63 2jrp s ILE 3 Cb 0.00 -3.75 -0.03 0.00 1.25 0.00 0.00 42.46 39.94 2jrp s ILE 3 CO 0.00 0.06 -0.21 -0.89 0.24 0.00 0.00 174.94 174.14 2jrp s THR 4 N 1.51 1.66 0.05 8.37 2.01 -1.26 -1.07 115.64 126.91 2jrp s THR 4 Ca 0.62 -1.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 2jrp s THR 4 Cb -0.32 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 2jrp s THR 4 CO 0.28 0.20 1.02 0.00 -0.69 0.00 0.00 174.62 175.43 2jrp n PRO 6 N 3.50 0.81 0.10 0.00 -0.04 -1.26 -3.51 135.00 134.61 2jrp n PRO 6 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2jrp n PRO 6 Cb 0.49 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 2jrp n PRO 6 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2jrp n VAL 7 N 0.27 0.24 -3.67 0.52 0.31 -1.26 -5.02 118.33 109.72 2jrp n VAL 7 Ca 0.00 0.08 -0.38 0.00 -0.01 0.00 0.00 64.34 64.03 2jrp n VAL 7 Cb 0.27 -0.76 -0.12 0.00 -0.91 0.00 0.00 33.84 32.32 2jrp n VAL 7 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jrp s HIS 9 N 1.59 1.88 0.06 0.00 2.46 -1.26 -3.68 115.29 116.34 2jrp s HIS 9 Ca 0.04 0.64 -0.08 0.00 0.47 0.00 0.00 55.06 56.13 2jrp s HIS 9 Cb -0.17 -3.95 -0.01 0.00 -0.13 0.00 0.00 32.58 28.33 2jrp s HIS 9 CO 0.06 -1.22 0.15 -1.01 -2.47 0.00 0.00 174.74 170.25 2jrp s HIS 10 N 11.42 0.17 -0.06 3.88 3.76 -1.26 -5.03 115.29 128.17 2jrp s HIS 10 Ca 0.70 -0.52 -0.28 0.00 -0.15 0.00 0.00 55.06 54.81 2jrp s HIS 10 Cb -0.02 -0.10 -0.02 0.00 1.11 0.00 0.00 32.58 33.55 2jrp s HIS 10 CO 0.12 -0.46 0.92 0.00 -0.85 0.00 0.00 174.74 174.47 2jrp s ALA 11 N -3.21 3.30 0.53 -1.40 0.00 -1.26 -3.39 121.76 116.32 2jrp s ALA 11 Ca 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.31 2jrp s ALA 11 Cb 0.02 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.87 2jrp s ALA 11 CO -0.07 -0.36 0.77 -0.51 0.00 0.00 0.00 175.76 175.59 2jrp s LEU 12 N 1.38 3.37 0.14 0.00 1.43 -0.23 -4.88 118.68 119.89 2jrp s LEU 12 Ca 0.47 0.26 0.11 0.00 -1.03 0.00 0.00 54.13 53.93 2jrp s LEU 12 Cb -0.19 -3.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 2jrp s LEU 12 CO 0.22 -1.00 -0.26 -0.70 0.23 0.00 0.00 176.35 174.84 2jrp s GLU 13 N -4.76 1.39 -0.08 1.70 -6.30 -1.19 -4.69 118.70 104.77 2jrp s GLU 13 Ca 0.53 -1.36 -0.18 0.00 -2.50 0.00 0.00 54.97 51.46 2jrp s GLU 13 Cb -0.10 -1.82 -0.05 0.00 0.00 0.00 0.00 34.13 32.16 2jrp s GLU 13 CO 0.40 0.42 0.50 1.03 0.02 0.00 0.00 175.26 177.63 2jrp s ARG 14 N -2.17 4.29 -0.29 4.30 3.00 -1.26 -1.43 118.95 125.40 2jrp s ARG 14 Ca 0.14 0.52 0.08 0.00 0.00 0.00 0.00 55.73 56.48 2jrp s ARG 14 Cb -0.10 -3.39 0.46 0.00 0.00 0.00 0.00 34.95 31.92 2jrp s ARG 14 CO 0.06 0.27 1.33 0.09 0.00 0.00 0.00 175.30 177.05 2jrp n ASN 15 N 3.24 3.34 0.00 0.23 5.03 0.98 -4.95 115.26 123.13 2jrp n ASN 15 Ca -0.08 -3.82 0.00 0.00 0.87 0.00 0.00 54.58 51.55 2jrp n ASN 15 Cb 0.52 -0.52 0.00 0.00 -1.02 0.00 0.00 39.78 38.75 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 -0.97 1.48 0.56 7.41 0.00 -1.26 -4.01 105.19 108.39 2jrp n GLY 16 Ca 0.34 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 46.01 2jrp n GLY 16 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jrp n ASP 17 N 3.48 1.70 -3.83 1.61 5.75 -1.26 -4.87 116.55 119.13 2jrp n ASP 17 Ca 0.00 -1.67 -0.11 0.00 -0.01 0.00 0.00 54.79 53.00 2jrp n ASP 17 Cb 0.00 -0.09 -0.08 0.00 -1.03 0.00 0.00 41.12 39.92 2jrp n ASP 17 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2jrp s THR 18 N -1.83 0.10 0.02 2.12 -1.32 -1.26 -0.71 115.64 112.76 2jrp s THR 18 Ca 0.34 -0.83 0.04 0.00 -1.21 0.00 0.00 61.69 60.02 2jrp s THR 18 Cb 0.18 -0.89 -0.03 0.00 -1.51 0.00 0.00 72.50 70.25 2jrp s THR 18 CO 0.28 -0.46 -0.07 0.00 -2.21 0.00 0.00 174.62 172.16 2jrp s ALA 19 N -2.49 3.03 -0.13 11.08 0.00 0.14 -0.02 121.76 133.37 2jrp s ALA 19 Ca -0.06 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 50.81 2jrp s ALA 19 Cb -0.01 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 2jrp s ALA 19 CO -0.03 0.62 0.03 -1.58 0.00 0.00 0.00 175.76 174.80 2jrp s HIS 20 N -1.03 3.22 -0.21 0.00 2.46 -0.51 -1.05 115.29 118.16 2jrp s HIS 20 Ca 0.18 0.11 -0.05 0.00 0.47 0.00 0.00 55.06 55.77 2jrp s HIS 20 Cb -0.11 -1.93 -0.02 0.00 -0.13 0.00 0.00 32.58 30.39 2jrp s HIS 20 CO 0.09 0.32 0.01 0.00 -2.47 0.00 0.00 174.74 172.68 2jrp n GLU 22 N 4.41 0.00 -1.74 0.00 -0.58 -1.26 -3.10 120.64 118.37 2jrp n GLU 22 Ca -0.17 0.12 -0.42 0.00 -0.42 0.00 0.00 57.16 56.27 2jrp n GLU 22 Cb 0.52 -0.77 -0.03 0.00 -0.57 0.00 0.00 31.44 30.59 2jrp n GLU 22 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2jrp s THR 23 N -0.62 2.05 -0.16 2.62 -4.23 -1.26 -3.15 115.64 110.90 2jrp s THR 23 Ca 0.00 0.04 -0.01 0.00 -1.18 0.00 0.00 61.69 60.54 2jrp s THR 23 Cb 0.00 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.82 2jrp s THR 23 CO 0.00 0.00 0.02 0.00 -0.54 0.00 0.00 174.62 174.10 2jrp n ALA 25 N 1.10 1.57 -3.02 0.00 0.00 -1.19 -4.71 120.51 114.27 2jrp n ALA 25 Ca -0.03 0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.41 2jrp n ALA 25 Cb 0.24 -2.72 -0.06 0.00 0.00 0.00 0.00 19.45 16.91 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 4.88 0.90 -0.16 0.00 1.02 -1.18 -4.98 119.74 120.21 2jrp s LYS 26 Ca 0.92 -0.53 -0.01 0.00 0.02 0.00 0.00 55.97 56.37 2jrp s LYS 26 Cb -0.44 0.39 0.04 0.00 -0.52 0.00 0.00 37.83 37.31 2jrp s LYS 26 CO 0.41 -0.31 -0.03 0.16 -0.92 0.00 0.00 175.35 174.66 2jrp s ASP 27 N -2.24 2.76 -0.14 2.83 -4.77 -1.26 -0.65 116.67 113.20 2jrp s ASP 27 Ca -0.03 -0.65 -0.10 0.00 -3.30 0.00 0.00 52.55 48.47 2jrp s ASP 27 Cb 0.00 -0.83 -0.05 0.00 -1.09 0.00 0.00 42.92 40.96 2jrp s ASP 27 CO -0.05 -0.20 0.20 -0.36 0.70 0.00 0.00 175.17 175.45 2jrp s PHE 28 N 1.69 3.53 -0.03 2.11 0.08 -0.22 -4.88 117.98 120.26 2jrp s PHE 28 Ca 0.01 0.53 -0.30 0.00 0.12 0.00 0.00 56.93 57.29 2jrp s PHE 28 Cb -0.15 -2.13 -0.05 0.00 -0.57 0.00 0.00 43.02 40.12 2jrp s PHE 28 CO -0.07 0.49 1.35 0.45 -0.10 0.00 0.00 175.22 177.33 2jrp s SER 29 N -0.30 6.90 -0.01 1.36 0.15 -1.26 -0.68 113.70 119.86 2jrp s SER 29 Ca 0.14 2.01 -0.02 0.00 0.70 0.00 0.00 55.95 58.78 2jrp s SER 29 Cb -0.12 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 2jrp s SER 29 CO 0.03 -0.69 0.15 -0.76 1.20 0.00 0.00 173.24 173.17 2jrp s LEU 30 N 2.49 4.22 -0.09 3.45 1.02 0.11 -0.49 118.68 129.39 2jrp s LEU 30 Ca 0.61 0.28 0.03 0.00 0.02 0.00 0.00 54.13 55.07 2jrp s LEU 30 Cb -0.29 -2.49 0.01 0.00 0.02 0.00 0.00 46.19 43.44 2jrp s LEU 30 CO 0.24 0.27 -0.17 -1.58 0.02 0.00 0.00 176.35 175.13 2jrp s GLN 31 N -1.85 2.31 -0.16 1.70 0.74 0.14 -4.80 119.66 117.73 2jrp s GLN 31 Ca 0.26 -0.62 -0.28 0.00 0.05 0.00 0.00 55.36 54.77 2jrp s GLN 31 Cb -0.12 -1.84 -0.01 0.00 1.10 0.00 0.00 33.01 32.14 2jrp s GLN 31 CO 0.17 0.06 0.97 0.00 -0.55 0.00 0.00 175.29 175.94 2jrp s ALA 32 N 0.64 3.53 0.10 1.58 0.00 -1.26 -1.19 121.76 125.15 2jrp s ALA 32 Ca -0.14 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.08 2jrp s ALA 32 Cb -0.16 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 2jrp s ALA 32 CO 0.04 -0.77 -0.12 -1.17 0.00 0.00 0.00 175.76 173.75 2jrp s LEU 33 N 2.45 2.38 -0.15 0.00 2.96 -0.58 -4.77 118.68 120.96 2jrp s LEU 33 Ca 0.44 -0.77 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 2jrp s LEU 33 Cb -0.17 -0.40 -0.00 0.00 0.50 0.00 0.00 46.19 46.11 2jrp s LEU 33 CO 0.13 -0.20 -0.14 0.00 -1.32 0.00 0.00 176.35 174.82 2jrp n PRO 35 N 3.97 0.08 0.10 0.00 -0.04 -1.26 0.21 135.00 138.06 2jrp n PRO 35 Ca -0.19 0.36 -0.03 0.00 -0.04 0.00 0.00 63.50 63.61 2jrp n PRO 35 Cb 0.52 -1.67 0.18 0.00 -0.04 0.00 0.00 33.50 32.49 2jrp n PRO 35 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2jrp h ASP 36 N 0.00 0.21 0.00 3.54 5.19 -1.93 -3.41 116.42 120.02 2jrp h ASP 36 Ca 0.00 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 2jrp h ASP 36 Cb 0.26 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.71 2jrp h ASP 36 CO 0.00 0.69 0.00 0.00 -3.12 0.00 0.00 179.24 176.81 2jrp n ARG 38 N -1.36 -1.16 -2.86 0.00 0.63 0.13 -4.96 116.66 107.08 2jrp n ARG 38 Ca 0.00 0.66 -0.43 0.00 -0.92 0.00 0.00 57.85 57.16 2jrp n ARG 38 Cb 0.00 -4.71 -0.04 0.00 0.45 0.00 0.00 32.46 28.16 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 -2.26 3.39 -0.00 -0.14 1.11 -1.26 -4.84 119.66 115.67 2jrp s GLN 39 Ca 0.00 -0.13 -0.00 0.00 0.01 0.00 0.00 55.36 55.24 2jrp s GLN 39 Cb 0.00 -4.00 -0.00 0.00 -1.01 0.00 0.00 33.01 28.00 2jrp s GLN 39 CO 0.00 -1.34 0.01 -2.30 0.01 0.00 0.00 175.29 171.67 2jrp n PRO 40 N 7.21 0.00 0.00 2.91 -0.02 -1.26 -4.84 135.00 139.00 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 0.48 -0.01 0.00 0.00 -0.02 0.00 0.00 33.50 33.95 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 0.05 0.00 0.00 2.45 4.32 -1.26 -4.94 117.00 117.62 2jrp n LEU 41 Ca 0.00 0.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.19 2jrp n LEU 41 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2jrp n LEU 41 CO 0.00 0.00 0.00 1.67 -1.22 0.00 0.00 177.39 177.84 2jrp n GLN 42 N -0.27 0.00 -2.27 3.23 -0.06 -1.25 -4.15 117.38 112.60 2jrp n GLN 42 Ca 0.00 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.57 2jrp n GLN 42 Cb 0.00 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.16 2jrp n GLN 42 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2jrp s VAL 43 N 0.00 3.82 -0.30 1.69 0.11 -1.25 -1.24 120.40 123.22 2jrp s VAL 43 Ca 0.00 0.84 -0.09 0.00 -2.93 0.00 0.00 61.98 59.81 2jrp s VAL 43 Cb 0.00 -4.07 -0.00 0.00 -1.53 0.00 0.00 36.38 30.77 2jrp s VAL 43 CO 0.00 -0.66 0.12 -0.76 -3.33 0.00 0.00 175.10 170.47 2jrp s LEU 44 N 5.67 3.98 -0.04 2.54 1.43 0.13 -4.92 118.68 127.48 2jrp s LEU 44 Ca 0.65 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 2jrp s LEU 44 Cb -0.16 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 2jrp s LEU 44 CO 0.32 -0.18 -0.01 -0.54 0.23 0.00 0.00 176.35 176.17 2jrp s LYS 45 N 1.58 2.84 0.00 1.70 3.01 -1.26 -0.23 119.74 127.37 2jrp s LYS 45 Ca 0.04 -0.54 0.00 0.00 -1.01 0.00 0.00 55.97 54.46 2jrp s LYS 45 Cb -0.17 -2.70 0.00 0.00 -1.01 0.00 0.00 37.83 33.95 2jrp s LYS 45 CO 0.05 0.65 0.00 0.00 0.51 0.00 0.00 175.35 176.56 2jrp n ALA 46 N 1.73 0.80 -3.39 5.17 0.00 -0.95 -5.03 120.51 118.85 2jrp n ALA 46 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.10 2jrp n ALA 46 Cb 0.53 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.89 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 4.70 2.21 3.69 0.00 0.00 -1.26 -4.98 105.19 109.55 2jrp n GLY 48 Ca 0.05 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.30 3.45 -0.18 4.61 0.00 -1.26 -5.02 121.76 123.06 2jrp s ALA 49 Ca 0.00 0.68 0.01 0.00 0.00 0.00 0.00 51.96 52.65 2jrp s ALA 49 Cb 0.00 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.65 2jrp s ALA 49 CO 0.00 -0.66 -0.19 0.08 0.00 0.00 0.00 175.76 174.99 2jrp s VAL 50 N 1.87 2.02 0.23 0.00 1.01 -1.26 -2.23 120.40 122.04 2jrp s VAL 50 Ca 0.56 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.71 2jrp s VAL 50 Cb -0.26 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2jrp s VAL 50 CO 0.24 0.53 0.06 -1.81 0.00 0.00 0.00 175.10 174.12 2jrp s ASP 51 N 1.31 4.91 -0.20 3.32 1.11 0.68 -4.94 116.67 122.86 2jrp s ASP 51 Ca 0.05 -0.45 -0.02 0.00 0.18 0.00 0.00 52.55 52.31 2jrp s ASP 51 Cb -0.13 -1.07 0.06 0.00 1.07 0.00 0.00 42.92 42.85 2jrp s ASP 51 CO -0.13 0.02 0.01 -0.31 1.18 0.00 0.00 175.17 175.94 2jrp s TYR 52 N -2.08 1.36 -0.22 4.23 2.02 -1.25 0.23 117.35 121.64 2jrp s TYR 52 Ca 0.31 -1.07 -0.07 0.00 -0.37 0.00 0.00 57.07 55.87 2jrp s TYR 52 Cb -0.08 -1.16 0.10 0.00 -0.40 0.00 0.00 41.96 40.43 2jrp s TYR 52 CO 0.21 -0.65 0.45 0.12 -1.57 0.00 0.00 175.55 174.11 2jrp s PHE 53 N 1.75 -0.90 -0.92 2.71 5.36 -0.38 -4.78 117.98 120.83 2jrp s PHE 53 Ca -0.02 1.56 -0.25 0.00 -0.96 0.00 0.00 56.93 57.27 2jrp s PHE 53 Cb -0.17 0.35 -0.08 0.00 -0.34 0.00 0.00 43.02 42.78 2jrp s PHE 53 CO -0.07 -0.54 2.05 0.00 -1.46 0.00 0.00 175.22 175.19 2jrp h GLN 55 N 11.40 0.16 -5.19 0.00 4.15 -1.84 -2.49 115.11 121.31 2jrp h GLN 55 Ca 0.09 -0.20 -0.44 0.00 0.77 0.00 0.00 58.65 58.87 2jrp h GLN 55 Cb 1.00 0.06 -0.14 0.00 0.21 0.00 0.00 27.48 28.61 2jrp h GLN 55 CO 1.16 0.98 -0.62 -0.80 -1.93 0.00 0.00 178.83 177.62 2jrp s ASN 56 N -6.91 2.16 0.00 -0.69 0.01 -1.26 -4.52 114.94 103.72 2jrp s ASN 56 Ca -0.02 -1.33 0.00 0.00 -0.71 0.00 0.00 52.86 50.80 2jrp s ASN 56 Cb 0.10 -0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.71 2jrp s ASN 56 CO 0.83 -0.58 0.00 0.61 -1.51 0.00 0.00 177.10 176.45 2jrp n GLY 57 N -0.60 1.69 0.01 0.66 0.00 -1.26 -4.10 105.19 101.59 2jrp n GLY 57 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 0.09 0.00 1.61 -0.00 -1.26 -5.13 115.22 110.53 2jrp n HIS 58 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 2jrp n HIS 58 Cb 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 29.99 29.75 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 1.64 4.24 3.67 1.57 0.00 -1.01 -5.05 105.19 110.25 2jrp n GLY 59 Ca -0.02 -1.45 -0.48 0.00 0.00 0.00 0.00 46.02 44.08 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 3.48 -4.83 0.99 -0.00 -0.97 -4.53 117.00 111.15 2jrp n LEU 60 Ca 0.00 0.91 -0.33 0.00 -0.00 0.00 0.00 56.01 56.59 2jrp n LEU 60 Cb 0.00 -1.39 -0.07 0.00 -0.00 0.00 0.00 43.42 41.96 2jrp n LEU 60 CO 0.00 -0.07 0.61 -0.63 -0.00 0.00 0.00 177.39 177.29 2jrp s ILE 61 N 4.46 4.45 -0.12 1.47 1.09 -1.26 -4.97 121.20 126.32 2jrp s ILE 61 Ca 0.93 1.38 -0.33 0.00 -1.10 0.00 0.00 60.65 61.53 2jrp s ILE 61 Cb -0.65 -3.61 -0.11 0.00 -1.06 0.00 0.00 42.46 37.03 2jrp s ILE 61 CO 0.50 -0.31 1.96 -1.20 -0.10 0.00 0.00 174.94 175.79 2jrp n SER 62 N -0.62 3.36 -0.05 3.58 7.64 -1.26 -4.83 113.62 121.44 2jrp n SER 62 Ca 0.06 0.82 0.15 0.00 1.01 0.00 0.00 58.87 60.91 2jrp n SER 62 Cb 0.54 -1.39 0.57 0.00 -1.01 0.00 0.00 64.21 62.91 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 10.33 0.25 -0.46 1.43 3.64 -1.98 0.24 116.57 130.02 2jrp h LYS 63 Ca -0.46 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2jrp h LYS 63 Cb 1.27 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2jrp h LYS 63 CO 0.96 0.16 0.00 1.63 -2.27 0.00 0.00 179.45 179.93 2jrp n LYS 64 N -4.45 2.12 0.00 1.90 5.02 -1.26 -3.11 118.16 118.38 2jrp n LYS 64 Ca 0.10 -1.59 0.02 0.00 -2.02 0.00 0.00 58.31 54.81 2jrp n LYS 64 Cb 0.45 -1.39 0.01 0.00 -0.02 0.00 0.00 35.03 34.08 2jrp n LYS 64 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2jrp n ARG 65 N 0.74 0.34 -2.30 1.97 0.63 0.81 -4.99 116.66 113.87 2jrp n ARG 65 Ca 0.15 -0.67 -0.43 0.00 -0.92 0.00 0.00 57.85 55.98 2jrp n ARG 65 Cb 0.41 -1.04 -0.02 0.00 0.45 0.00 0.00 32.46 32.26 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 -0.48 4.06 -0.75 5.15 1.01 -1.05 -4.56 120.40 123.78 2jrp s VAL 66 Ca 0.05 1.29 -0.25 0.00 0.00 0.00 0.00 61.98 63.06 2jrp s VAL 66 Cb 0.04 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.63 2jrp s VAL 66 CO 0.07 -0.11 1.22 0.20 0.00 0.00 0.00 175.10 176.48 2jrp s ASN 67 N 2.35 6.21 -0.79 3.32 -0.87 0.23 -4.86 114.94 120.52 2jrp s ASN 67 Ca 0.60 -0.71 -0.26 0.00 -1.57 0.00 0.00 52.86 50.92 2jrp s ASN 67 Cb -0.25 -2.52 0.02 0.00 -0.02 0.00 0.00 41.25 38.48 2jrp s ASN 67 CO 0.20 -1.70 1.42 -0.36 -2.57 0.00 0.00 177.10 174.09 2jrp s PHE 68 N 5.20 2.23 0.27 2.20 0.40 -1.26 -1.52 117.98 125.50 2jrp s PHE 68 Ca 0.33 -0.09 0.06 0.00 -0.60 0.00 0.00 56.93 56.64 2jrp s PHE 68 Cb -0.09 -4.55 -0.03 0.00 0.51 0.00 0.00 43.02 38.86 2jrp s PHE 68 CO 0.11 -2.06 0.32 0.14 0.70 0.00 0.00 175.22 174.42 2jrp s VAL 69 N 6.20 4.65 -0.18 -0.44 -7.23 -0.33 -4.76 120.40 118.31 2jrp s VAL 69 Ca 0.43 -1.16 -0.29 0.00 -1.81 0.00 0.00 61.98 59.15 2jrp s VAL 69 Cb -0.07 -3.58 -0.03 0.00 0.56 0.00 0.00 36.38 33.26 2jrp s VAL 69 CO 0.10 -0.29 1.59 -0.63 -0.31 0.00 0.00 175.10 175.55 2jrp s ILE 70 N -2.09 3.73 -0.55 -0.62 1.01 -1.26 0.26 121.20 121.68 2jrp s ILE 70 Ca 0.36 0.85 -0.27 0.00 0.00 0.00 0.00 60.65 61.59 2jrp s ILE 70 Cb -0.08 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 2jrp s ILE 70 CO 0.28 -0.22 1.66 -0.55 0.00 0.00 0.00 174.94 176.11 2jrp s SER 71 N 3.78 5.73 -0.03 3.58 0.15 0.35 -4.87 113.70 122.39 2jrp s SER 71 Ca 0.70 0.44 -0.05 0.00 0.70 0.00 0.00 55.95 57.74 2jrp s SER 71 Cb -0.26 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.52 2jrp s SER 71 CO 0.28 -2.00 0.12 -0.62 1.20 0.00 0.00 173.24 172.22 2jrp s ASP 72 N 6.22 -0.05 0.00 5.45 2.15 -1.26 -4.85 116.67 124.33 2jrp s ASP 72 Ca 0.62 0.04 0.08 0.00 0.43 0.00 0.00 52.55 53.72 2jrp s ASP 72 Cb -0.13 0.24 0.13 0.00 -0.30 0.00 0.00 42.92 42.86 2jrp s ASP 72 CO 0.24 -0.19 0.94 0.00 -0.17 0.00 0.00 175.17 175.99 2jrp n GLN 73 N 2.31 1.28 -3.67 4.34 3.00 -1.26 -4.93 117.38 118.46 2jrp n GLN 73 Ca -0.17 -1.37 -0.30 0.00 -0.01 0.00 0.00 57.00 55.16 2jrp n GLN 73 Cb 0.57 -1.17 -0.14 0.00 0.00 0.00 0.00 30.24 29.50 2jrp n GLN 73 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2jrp s LEU 74 N -0.81 1.84 -0.19 1.08 2.96 -1.26 -5.07 118.68 117.22 2jrp s LEU 74 Ca 0.13 -1.76 -0.12 0.00 -0.22 0.00 0.00 54.13 52.16 2jrp s LEU 74 Cb 0.08 -0.74 -0.05 0.00 0.50 0.00 0.00 46.19 45.98 2jrp s LEU 74 CO 0.11 -0.39 0.20 -0.70 -1.32 0.00 0.00 176.35 174.24 2jrp s GLU 75 N 1.49 4.19 -0.07 1.98 2.56 -1.26 -5.00 118.70 122.59 2jrp s GLU 75 Ca 0.12 -0.11 -0.23 0.00 0.00 0.00 0.00 54.97 54.74 2jrp s GLU 75 Cb -0.19 -3.45 -0.19 0.00 2.00 0.00 0.00 34.13 32.31 2jrp s GLU 75 CO -0.21 0.23 0.90 0.45 -0.56 0.00 0.00 175.26 176.06 2jrp h HIS 76 N 6.84 -0.09 -1.57 5.30 3.86 -2.02 -3.47 115.15 123.99 2jrp h HIS 76 Ca -0.40 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 58.87 2jrp h HIS 76 Cb 1.16 0.03 -0.26 0.00 1.06 0.00 0.00 27.41 29.40 2jrp h HIS 76 CO 0.60 0.48 0.48 -1.58 0.86 0.00 0.00 177.93 178.78 2jrp s HIS 77 N -3.22 -0.44 -0.48 2.45 5.65 -1.26 -5.04 115.29 112.95 2jrp s HIS 77 Ca -0.14 1.04 0.00 0.00 0.25 0.00 0.00 55.06 56.20 2jrp s HIS 77 Cb -0.00 0.38 0.00 0.00 -1.18 0.00 0.00 32.58 31.78 2jrp s HIS 77 CO 0.55 -0.24 0.67 1.58 -0.65 0.00 0.00 174.74 176.66 2jrp n HIS 78 N 1.96 0.00 -2.20 3.88 -0.00 -1.26 -4.40 115.22 113.21 2jrp n HIS 78 Ca -0.12 -0.23 -0.42 0.00 0.46 0.00 0.00 57.72 57.41 2jrp n HIS 78 Cb 0.56 -0.16 0.00 0.00 -0.12 0.00 0.00 29.99 30.27 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 0.32 3.28 -1.07 1.57 -0.00 -1.26 -4.27 115.22 113.78 2jrp n HIS 79 Ca 0.00 -2.88 0.03 0.00 -0.00 0.00 0.00 57.72 54.87 2jrp n HIS 79 Cb 0.34 -2.16 0.04 0.00 -0.00 0.00 0.00 29.99 28.21 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 4.76 0.00 -0.83 1.57 -0.00 -1.26 -5.18 115.22 114.28 2jrp n HIS 80 Ca 0.43 -0.40 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 2jrp n HIS 80 Cb 0.38 -0.07 0.00 0.00 -0.00 0.00 0.00 29.99 30.30 2jrp n HIS 80 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92