#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 -3.56 2.12 4.07 -1.26 -5.14 120.64 116.88 2jrp n GLU 2 Ca 0.00 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.73 2jrp n GLU 2 Cb 0.00 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.29 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 -1.91 5.30 -0.06 6.31 -4.36 -1.26 -5.07 121.20 120.14 2jrp s ILE 3 Ca 0.00 0.37 -0.10 0.00 -0.26 0.00 0.00 60.65 60.66 2jrp s ILE 3 Cb 0.00 -3.59 0.02 0.00 1.25 0.00 0.00 42.46 40.15 2jrp s ILE 3 CO 0.00 0.30 0.25 -0.89 0.24 0.00 0.00 174.94 174.84 2jrp s THR 4 N 1.23 0.03 0.16 8.37 2.01 -1.26 -1.56 115.64 124.62 2jrp s THR 4 Ca 0.12 -0.23 -0.32 0.00 0.31 0.00 0.00 61.69 61.57 2jrp s THR 4 Cb -0.14 -0.43 -0.10 0.00 0.01 0.00 0.00 72.50 71.83 2jrp s THR 4 CO 0.06 -0.13 1.60 0.00 -0.69 0.00 0.00 174.62 175.46 2jrp n PRO 6 N 4.14 0.42 0.00 0.00 -0.04 -1.26 -1.27 135.00 136.99 2jrp n PRO 6 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2jrp n PRO 6 Cb 0.38 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2jrp n PRO 6 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2jrp n VAL 7 N -0.85 0.02 -3.59 0.52 0.24 -1.26 -4.94 118.33 108.46 2jrp n VAL 7 Ca 0.07 -0.09 -0.28 0.00 -2.04 0.00 0.00 64.34 62.01 2jrp n VAL 7 Cb 0.03 1.71 -0.11 0.00 -1.47 0.00 0.00 33.84 34.01 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 2.66 1.11 0.00 0.00 -0.00 -1.26 -3.94 115.22 113.79 2jrp n HIS 9 Ca 0.24 -0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.38 2jrp n HIS 9 Cb 0.42 -2.58 0.00 0.00 -0.12 0.00 0.00 29.99 27.71 2jrp n HIS 9 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jrp n HIS 10 N 18.64 0.00 0.00 1.57 8.25 -1.26 -5.11 115.22 137.31 2jrp n HIS 10 Ca 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.93 2jrp n HIS 10 Cb 0.43 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.54 2jrp n HIS 10 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jrp n ALA 11 N -2.48 0.00 -3.27 -1.41 0.00 -1.26 -5.02 120.51 107.07 2jrp n ALA 11 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2jrp n ALA 11 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 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 0.00 2.13 -0.35 0.00 1.43 -0.60 -4.57 118.68 116.71 2jrp s LEU 12 Ca 0.00 -0.55 -0.29 0.00 -1.03 0.00 0.00 54.13 52.26 2jrp s LEU 12 Cb 0.00 -1.42 -0.00 0.00 0.03 0.00 0.00 46.19 44.79 2jrp s LEU 12 CO 0.00 0.15 1.49 -1.61 0.23 0.00 0.00 176.35 176.61 2jrp s GLU 13 N 0.40 3.63 -0.42 1.70 0.41 0.15 -4.80 118.70 119.77 2jrp s GLU 13 Ca -0.17 1.19 -0.25 0.00 -0.41 0.00 0.00 54.97 55.33 2jrp s GLU 13 Cb -0.18 -4.03 0.02 0.00 -1.78 0.00 0.00 34.13 28.17 2jrp s GLU 13 CO 0.08 -1.49 0.89 -0.98 -0.49 0.00 0.00 175.26 173.27 2jrp s ARG 14 N 4.87 3.62 0.00 1.61 1.70 -1.26 -0.88 118.95 128.62 2jrp s ARG 14 Ca 0.65 0.25 0.12 0.00 -0.47 0.00 0.00 55.73 56.28 2jrp s ARG 14 Cb -0.17 -3.88 0.45 0.00 -0.57 0.00 0.00 34.95 30.77 2jrp s ARG 14 CO 0.30 -1.09 1.32 0.09 -1.08 0.00 0.00 175.30 174.85 2jrp n ASN 15 N 6.92 1.11 0.00 -2.89 4.13 0.83 -4.90 115.26 120.46 2jrp n ASN 15 Ca 0.05 -1.85 0.00 0.00 1.68 0.00 0.00 54.58 54.46 2jrp n ASN 15 Cb 0.48 -0.12 0.00 0.00 -1.54 0.00 0.00 39.78 38.61 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 0.90 2.22 0.13 7.41 0.00 -1.26 -4.47 105.19 110.12 2jrp n GLY 16 Ca 0.10 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 2jrp n GLY 16 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jrp n ASP 17 N 2.51 2.01 -4.42 1.61 2.03 -1.26 -5.02 116.55 114.02 2jrp n ASP 17 Ca 0.00 0.16 -0.21 0.00 0.52 0.00 0.00 54.79 55.26 2jrp n ASP 17 Cb 0.00 -0.73 -0.10 0.00 -0.72 0.00 0.00 41.12 39.56 2jrp n ASP 17 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2jrp s THR 18 N -2.51 1.61 -0.08 5.18 2.01 -1.26 -3.73 115.64 116.86 2jrp s THR 18 Ca -0.30 -2.12 0.02 0.00 0.31 0.00 0.00 61.69 59.60 2jrp s THR 18 Cb 0.09 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 2jrp s THR 18 CO 0.64 -0.32 -0.13 0.00 -0.69 0.00 0.00 174.62 174.13 2jrp s ALA 19 N -3.03 2.69 -0.02 7.40 0.00 -0.33 -0.12 121.76 128.35 2jrp s ALA 19 Ca 0.29 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.39 2jrp s ALA 19 Cb 0.04 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 2jrp s ALA 19 CO 0.11 0.45 -0.26 -1.58 0.00 0.00 0.00 175.76 174.49 2jrp s HIS 20 N -0.36 2.30 -0.16 0.00 2.46 -0.05 0.21 115.29 119.69 2jrp s HIS 20 Ca 0.04 -0.44 -0.08 0.00 0.47 0.00 0.00 55.06 55.04 2jrp s HIS 20 Cb -0.12 -1.48 -0.04 0.00 -0.13 0.00 0.00 32.58 30.80 2jrp s HIS 20 CO 0.02 -0.05 0.13 0.00 -2.47 0.00 0.00 174.74 172.37 2jrp h GLU 22 N 5.83 0.00 0.03 0.00 4.39 -1.95 -3.31 114.58 119.57 2jrp h GLU 22 Ca -0.48 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.06 2jrp h GLU 22 Cb 1.19 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 2jrp h GLU 22 CO 0.67 0.00 -0.87 1.79 -1.16 0.00 0.00 179.01 179.43 2jrp h THR 23 N 0.00 1.25 -4.56 1.13 1.35 -1.94 -3.46 112.91 106.67 2jrp h THR 23 Ca 0.00 -2.30 -0.68 0.00 -0.55 0.00 0.00 66.41 62.88 2jrp h THR 23 Cb 0.77 2.76 -0.30 0.00 -1.73 0.00 0.00 68.15 69.66 2jrp h THR 23 CO 0.00 0.52 -0.88 0.00 -0.25 0.00 0.00 175.52 174.91 2jrp n ALA 25 N 2.48 3.20 -2.71 0.00 0.00 -1.26 -3.83 120.51 118.39 2jrp n ALA 25 Ca -0.16 -0.09 -0.37 0.00 0.00 0.00 0.00 53.44 52.82 2jrp n ALA 25 Cb 0.51 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.10 4.26 -0.18 0.00 2.20 -1.26 -4.99 119.74 119.67 2jrp s LYS 26 Ca 0.02 0.25 -0.09 0.00 -0.36 0.00 0.00 55.97 55.78 2jrp s LYS 26 Cb 0.01 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 2jrp s LYS 26 CO 0.00 0.12 0.13 -0.51 -0.36 0.00 0.00 175.35 174.73 2jrp s ASP 27 N 0.71 6.24 -0.33 1.43 1.01 -1.26 -3.50 116.67 120.97 2jrp s ASP 27 Ca 0.20 0.28 -0.14 0.00 0.71 0.00 0.00 52.55 53.61 2jrp s ASP 27 Cb -0.14 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.69 2jrp s ASP 27 CO 0.07 0.24 0.29 -0.36 0.21 0.00 0.00 175.17 175.62 2jrp s PHE 28 N 0.03 3.22 -0.05 4.23 0.08 0.13 -4.89 117.98 120.73 2jrp s PHE 28 Ca 0.10 -0.05 -0.30 0.00 0.12 0.00 0.00 56.93 56.80 2jrp s PHE 28 Cb -0.11 -2.55 -0.06 0.00 -0.57 0.00 0.00 43.02 39.73 2jrp s PHE 28 CO -0.01 -0.36 1.68 -1.12 -0.10 0.00 0.00 175.22 175.32 2jrp s SER 29 N 1.73 6.64 -0.24 1.36 0.01 -1.22 -1.19 113.70 120.79 2jrp s SER 29 Ca 0.09 2.26 -0.11 0.00 1.31 0.00 0.00 55.95 59.51 2jrp s SER 29 Cb -0.17 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.48 2jrp s SER 29 CO 0.11 -0.95 0.16 -0.76 0.41 0.00 0.00 173.24 172.22 2jrp s LEU 30 N 4.11 4.11 -0.22 2.44 1.43 -1.24 0.03 118.68 129.34 2jrp s LEU 30 Ca 0.75 0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.91 2jrp s LEU 30 Cb -0.34 -2.11 -0.01 0.00 0.03 0.00 0.00 46.19 43.76 2jrp s LEU 30 CO 0.31 0.06 -0.04 -1.10 0.23 0.00 0.00 176.35 175.80 2jrp s GLN 31 N 1.11 3.39 -0.86 1.70 -0.21 -0.40 -4.91 119.66 119.48 2jrp s GLN 31 Ca 0.08 -0.62 -0.25 0.00 0.02 0.00 0.00 55.36 54.59 2jrp s GLN 31 Cb -0.14 -3.01 0.03 0.00 1.00 0.00 0.00 33.01 30.89 2jrp s GLN 31 CO 0.05 -0.17 1.47 0.00 -2.12 0.00 0.00 175.29 174.52 2jrp s ALA 32 N 1.42 2.57 0.14 6.09 0.00 -1.26 -0.80 121.76 129.91 2jrp s ALA 32 Ca 0.05 -1.69 -0.07 0.00 0.00 0.00 0.00 51.96 50.25 2jrp s ALA 32 Cb -0.14 -4.41 -0.06 0.00 0.00 0.00 0.00 23.12 18.51 2jrp s ALA 32 CO -0.03 -3.64 0.42 -1.17 0.00 0.00 0.00 175.76 171.34 2jrp s LEU 33 N 6.17 4.28 -0.32 0.00 2.96 0.09 -4.55 118.68 127.30 2jrp s LEU 33 Ca 0.46 0.72 -0.15 0.00 -0.22 0.00 0.00 54.13 54.94 2jrp s LEU 33 Cb -0.05 -3.26 -0.02 0.00 0.50 0.00 0.00 46.19 43.36 2jrp s LEU 33 CO 0.03 0.07 0.38 0.00 -1.32 0.00 0.00 176.35 175.51 2jrp n PRO 35 N 5.41 2.59 0.00 0.00 -0.02 -1.26 -0.28 135.00 141.43 2jrp n PRO 35 Ca -0.09 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2jrp n PRO 35 Cb 0.50 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 2jrp n PRO 35 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2jrp n ASP 36 N 0.38 0.00 0.00 2.55 2.03 -1.26 -4.68 116.55 115.57 2jrp n ASP 36 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2jrp n ASP 36 Cb 0.39 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 2jrp n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jrp n ARG 38 N -0.48 -1.49 -1.92 0.00 0.63 0.61 -4.97 116.66 109.05 2jrp n ARG 38 Ca 0.00 0.80 -0.30 0.00 -0.92 0.00 0.00 57.85 57.43 2jrp n ARG 38 Cb 0.00 -5.14 0.17 0.00 0.45 0.00 0.00 32.46 27.94 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 -3.60 0.85 -1.01 -0.14 -0.21 -1.26 -4.88 119.66 109.41 2jrp s GLN 39 Ca 0.00 -0.31 -0.26 0.00 0.02 0.00 0.00 55.36 54.81 2jrp s GLN 39 Cb 0.00 -1.86 -0.18 0.00 1.00 0.00 0.00 33.01 31.97 2jrp s GLN 39 CO 0.00 -2.29 2.17 -1.25 -2.12 0.00 0.00 175.29 171.80 2jrp s PRO 40 N -5.83 1.46 0.13 2.91 0.04 -1.26 -4.91 135.00 127.54 2jrp s PRO 40 Ca 0.72 -0.26 -0.31 0.00 0.04 0.00 0.00 61.00 61.19 2jrp s PRO 40 Cb -0.05 -4.96 -0.10 0.00 0.04 0.00 0.00 34.50 29.43 2jrp s PRO 40 CO 0.52 -5.01 1.71 -0.51 0.04 0.00 0.00 177.00 173.75 2jrp s LEU 41 N 15.62 4.38 0.07 -3.56 1.02 -1.26 -4.78 118.68 130.18 2jrp s LEU 41 Ca 0.83 2.68 -0.31 0.00 0.02 0.00 0.00 54.13 57.35 2jrp s LEU 41 Cb -0.07 -3.58 -0.08 0.00 0.02 0.00 0.00 46.19 42.48 2jrp s LEU 41 CO 0.14 -0.93 1.69 -1.10 0.02 0.00 0.00 176.35 176.17 2jrp s GLN 42 N 2.12 4.19 -0.91 1.70 1.11 -1.21 -4.70 119.66 121.96 2jrp s GLN 42 Ca 0.76 2.37 -0.24 0.00 0.01 0.00 0.00 55.36 58.26 2jrp s GLN 42 Cb -0.45 -3.63 0.01 0.00 -1.01 0.00 0.00 33.01 27.94 2jrp s GLN 42 CO 0.33 -0.76 1.60 0.08 0.01 0.00 0.00 175.29 176.55 2jrp s VAL 43 N 2.77 3.71 -0.53 1.09 1.01 -1.26 -2.52 120.40 124.66 2jrp s VAL 43 Ca 0.75 -0.40 -0.27 0.00 0.00 0.00 0.00 61.98 62.06 2jrp s VAL 43 Cb -0.40 -4.65 -0.01 0.00 0.00 0.00 0.00 36.38 31.32 2jrp s VAL 43 CO 0.33 -1.56 1.68 -0.76 0.00 0.00 0.00 175.10 174.78 2jrp s LEU 44 N 6.86 3.38 -0.24 3.92 1.43 0.10 -4.85 118.68 129.27 2jrp s LEU 44 Ca 0.53 0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 54.02 2jrp s LEU 44 Cb -0.04 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 2jrp s LEU 44 CO -0.01 -1.98 0.28 -0.54 0.23 0.00 0.00 176.35 174.32 2jrp s LYS 45 N 6.17 4.06 0.43 1.70 1.02 -1.26 -0.64 119.74 131.22 2jrp s LYS 45 Ca 0.64 -0.09 0.06 0.00 0.02 0.00 0.00 55.97 56.61 2jrp s LYS 45 Cb -0.14 -3.59 -0.06 0.00 -0.52 0.00 0.00 37.83 33.52 2jrp s LYS 45 CO 0.25 -0.08 0.05 0.00 -0.92 0.00 0.00 175.35 174.65 2jrp s ALA 46 N 1.47 3.41 -0.87 5.17 0.00 -0.48 -5.02 121.76 125.44 2jrp s ALA 46 Ca 0.12 -1.98 -0.25 0.00 0.00 0.00 0.00 51.96 49.86 2jrp s ALA 46 Cb -0.15 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.02 2jrp s ALA 46 CO 0.08 -0.12 1.54 0.00 0.00 0.00 0.00 175.76 177.26 2jrp n GLY 48 N 6.30 4.37 3.78 0.00 0.00 -1.26 -5.10 105.19 113.28 2jrp n GLY 48 Ca 0.24 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.17 0.40 4.61 0.00 -1.20 -5.04 121.76 119.36 2jrp s ALA 49 Ca 0.00 -0.27 0.07 0.00 0.00 0.00 0.00 51.96 51.76 2jrp s ALA 49 Cb 0.00 0.87 -0.08 0.00 0.00 0.00 0.00 23.12 23.92 2jrp s ALA 49 CO 0.00 -0.99 0.01 0.14 0.00 0.00 0.00 175.76 174.92 2jrp s VAL 50 N -3.91 2.07 -0.14 0.00 -7.23 -1.26 -1.39 120.40 108.53 2jrp s VAL 50 Ca 0.11 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.19 2jrp s VAL 50 Cb -0.05 -2.95 0.05 0.00 0.56 0.00 0.00 36.38 33.99 2jrp s VAL 50 CO 0.05 -0.03 0.35 -0.62 -0.31 0.00 0.00 175.10 174.54 2jrp s ASP 51 N -3.71 -0.42 -0.32 4.85 -1.08 0.19 -4.82 116.67 111.36 2jrp s ASP 51 Ca 0.35 0.75 -0.18 0.00 -0.52 0.00 0.00 52.55 52.95 2jrp s ASP 51 Cb 0.08 0.65 -0.01 0.00 -1.46 0.00 0.00 42.92 42.18 2jrp s ASP 51 CO 0.18 -0.17 0.52 -0.31 0.52 0.00 0.00 175.17 175.91 2jrp s TYR 52 N 1.18 3.20 -0.29 -5.34 1.51 -1.26 0.00 117.35 116.36 2jrp s TYR 52 Ca -0.08 0.33 -0.04 0.00 -1.01 0.00 0.00 57.07 56.26 2jrp s TYR 52 Cb -0.08 -2.88 0.16 0.00 -0.11 0.00 0.00 41.96 39.04 2jrp s TYR 52 CO -0.10 -0.47 0.58 0.12 -1.11 0.00 0.00 175.55 174.57 2jrp s PHE 53 N 2.40 -1.38 -1.06 2.71 5.36 -1.05 -4.62 117.98 120.34 2jrp s PHE 53 Ca 0.20 1.78 -0.22 0.00 -0.96 0.00 0.00 56.93 57.73 2jrp s PHE 53 Cb -0.15 0.56 0.05 0.00 -0.34 0.00 0.00 43.02 43.14 2jrp s PHE 53 CO 0.12 -0.77 1.48 0.00 -1.46 0.00 0.00 175.22 174.59 2jrp h GLN 55 N 9.47 -0.31 0.00 0.00 -0.00 -1.90 -2.18 115.11 120.20 2jrp h GLN 55 Ca 0.23 0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.89 2jrp h GLN 55 Cb 0.99 0.07 -0.00 0.00 0.00 0.00 0.00 27.48 28.54 2jrp h GLN 55 CO 1.43 -0.11 -0.18 -0.97 0.00 0.00 0.00 178.83 179.00 2jrp h ASN 56 N -1.05 0.00 -3.68 -0.69 -0.73 -1.95 -3.39 115.58 104.09 2jrp h ASN 56 Ca -0.03 -0.18 -0.51 0.00 1.87 0.00 0.00 56.30 57.44 2jrp h ASN 56 Cb 0.34 0.00 0.02 0.00 0.27 0.00 0.00 38.32 38.94 2jrp h ASN 56 CO 0.05 0.69 0.51 -0.83 -0.37 0.00 0.00 177.43 177.48 2jrp s GLY 57 N -3.87 2.91 0.00 1.57 0.00 -1.26 -4.42 107.32 102.25 2jrp s GLY 57 Ca -0.08 0.92 0.00 0.00 0.00 0.00 0.00 44.72 45.57 2jrp s GLY 57 CO 0.19 1.65 0.00 1.57 0.00 0.00 0.00 173.10 176.51 2jrp n HIS 58 N 1.74 0.00 0.00 1.90 -0.00 -1.26 -4.64 115.22 112.96 2jrp n HIS 58 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 2jrp n HIS 58 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 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 4.36 3.37 1.57 0.00 -1.08 -5.07 105.19 108.35 2jrp n GLY 59 Ca 0.00 -1.28 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 2jrp n GLY 59 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jrp n LEU 60 N 0.00 -0.74 -4.07 0.99 4.77 -0.84 -4.58 117.00 112.54 2jrp n LEU 60 Ca 0.00 0.48 -0.25 0.00 -0.03 0.00 0.00 56.01 56.21 2jrp n LEU 60 Cb 0.00 -1.12 -0.16 0.00 -2.33 0.00 0.00 43.42 39.81 2jrp n LEU 60 CO 0.00 -3.78 -0.48 -0.63 -1.33 0.00 0.00 177.39 171.17 2jrp s ILE 61 N -2.04 1.24 0.14 -0.08 1.09 -1.26 -5.00 121.20 115.30 2jrp s ILE 61 Ca 0.59 -0.57 -0.32 0.00 -1.10 0.00 0.00 60.65 59.25 2jrp s ILE 61 Cb -0.31 -1.10 -0.12 0.00 -1.06 0.00 0.00 42.46 39.87 2jrp s ILE 61 CO 0.64 0.37 1.76 -0.24 -0.10 0.00 0.00 174.94 177.38 2jrp n SER 62 N 3.54 3.83 0.17 3.58 2.88 -1.26 -4.83 113.62 121.53 2jrp n SER 62 Ca -0.21 1.02 0.12 0.00 -1.33 0.00 0.00 58.87 58.48 2jrp n SER 62 Cb 0.52 -1.52 0.61 0.00 -0.75 0.00 0.00 64.21 63.08 2jrp n SER 62 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2jrp h LYS 63 N 7.61 0.00 0.00 -1.46 1.57 -1.99 0.33 116.57 122.64 2jrp h LYS 63 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2jrp h LYS 63 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2jrp h LYS 63 CO 0.94 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.45 2jrp n LYS 64 N -2.33 0.06 -0.00 3.15 4.76 -1.26 -3.11 118.16 119.43 2jrp n LYS 64 Ca -0.01 0.09 0.01 0.00 -2.87 0.00 0.00 58.31 55.53 2jrp n LYS 64 Cb 0.08 -1.58 0.01 0.00 -1.84 0.00 0.00 35.03 31.71 2jrp n LYS 64 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2jrp n ARG 65 N -1.69 -0.39 -2.29 1.97 5.12 0.11 -5.01 116.66 114.49 2jrp n ARG 65 Ca 0.06 -0.71 -0.42 0.00 -1.93 0.00 0.00 57.85 54.85 2jrp n ARG 65 Cb 0.34 -1.04 -0.03 0.00 -1.16 0.00 0.00 32.46 30.56 2jrp n ARG 65 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2jrp s VAL 66 N -0.25 3.49 -0.66 1.55 1.01 -0.86 -4.56 120.40 120.13 2jrp s VAL 66 Ca 0.03 1.16 -0.16 0.00 0.00 0.00 0.00 61.98 63.00 2jrp s VAL 66 Cb 0.02 -3.74 0.15 0.00 0.00 0.00 0.00 36.38 32.81 2jrp s VAL 66 CO 0.03 0.14 0.67 0.21 0.00 0.00 0.00 175.10 176.14 2jrp s ASN 67 N 0.62 6.38 -0.50 3.32 3.04 -0.03 -4.91 114.94 122.86 2jrp s ASN 67 Ca 0.58 -1.98 -0.28 0.00 0.04 0.00 0.00 52.86 51.21 2jrp s ASN 67 Cb -0.34 -2.24 0.01 0.00 -1.54 0.00 0.00 41.25 37.14 2jrp s ASN 67 CO 0.34 -0.85 1.40 -0.36 -3.04 0.00 0.00 177.10 174.59 2jrp s PHE 68 N 1.51 2.35 0.02 0.43 0.40 -1.26 -0.73 117.98 120.70 2jrp s PHE 68 Ca 0.11 0.57 -0.01 0.00 -0.60 0.00 0.00 56.93 57.00 2jrp s PHE 68 Cb -0.21 -4.36 -0.04 0.00 0.51 0.00 0.00 43.02 38.91 2jrp s PHE 68 CO -0.00 -1.94 0.18 0.14 0.70 0.00 0.00 175.22 174.30 2jrp s VAL 69 N 5.75 5.31 -0.42 -0.44 -7.23 0.02 -4.86 120.40 118.53 2jrp s VAL 69 Ca 0.56 -0.29 -0.26 0.00 -1.81 0.00 0.00 61.98 60.17 2jrp s VAL 69 Cb -0.12 -3.52 0.02 0.00 0.56 0.00 0.00 36.38 33.33 2jrp s VAL 69 CO 0.28 0.26 0.97 -0.63 -0.31 0.00 0.00 175.10 175.67 2jrp s ILE 70 N -1.38 4.48 -0.19 -0.62 1.01 -1.26 -1.28 121.20 121.96 2jrp s ILE 70 Ca 0.30 1.07 -0.09 0.00 0.00 0.00 0.00 60.65 61.92 2jrp s ILE 70 Cb -0.13 -4.42 -0.05 0.00 0.01 0.00 0.00 42.46 37.88 2jrp s ILE 70 CO 0.22 -0.72 0.12 -0.44 0.00 0.00 0.00 174.94 174.11 2jrp s SER 71 N 2.10 6.13 0.00 3.58 0.01 0.10 -5.00 113.70 120.63 2jrp s SER 71 Ca 0.40 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.89 2jrp s SER 71 Cb -0.10 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.06 2jrp s SER 71 CO 0.23 0.20 0.00 -0.67 0.41 0.00 0.00 173.24 173.42 2jrp n ASP 72 N 3.37 0.11 -3.33 2.44 2.03 -1.26 -3.40 116.55 116.51 2jrp n ASP 72 Ca -0.16 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 54.93 2jrp n ASP 72 Cb 0.52 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 41.00 2jrp n ASP 72 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jrp n GLN 73 N 0.00 -7.23 -1.66 -0.67 1.13 -1.26 -4.93 117.38 102.76 2jrp n GLN 73 Ca 0.00 0.76 -0.38 0.00 -1.94 0.00 0.00 57.00 55.44 2jrp n GLN 73 Cb 0.00 -5.61 0.05 0.00 0.11 0.00 0.00 30.24 24.79 2jrp n GLN 73 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2jrp n LEU 74 N -4.57 4.24 -2.02 1.08 4.32 -1.26 -4.22 117.00 114.57 2jrp n LEU 74 Ca -0.02 0.88 -0.02 0.00 -0.02 0.00 0.00 56.01 56.84 2jrp n LEU 74 Cb 0.56 -1.45 0.00 0.00 -1.62 0.00 0.00 43.42 40.92 2jrp n LEU 74 CO 0.59 -1.40 -0.09 -0.62 -1.22 0.00 0.00 177.39 174.65 2jrp n GLU 75 N -0.95 -1.20 -0.03 3.23 -0.58 -1.26 -5.10 120.64 114.76 2jrp n GLU 75 Ca 0.12 1.30 0.00 0.00 -0.42 0.00 0.00 57.16 58.17 2jrp n GLU 75 Cb 0.46 -3.01 0.00 0.00 -0.57 0.00 0.00 31.44 28.32 2jrp n GLU 75 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2jrp n HIS 76 N -0.07 -0.33 -2.82 -0.32 8.25 -1.26 -5.04 115.22 113.62 2jrp n HIS 76 Ca 0.02 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.10 2jrp n HIS 76 Cb 0.10 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.14 2jrp n HIS 76 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jrp s HIS 77 N 0.57 3.87 -0.05 4.41 3.76 -1.26 -5.05 115.29 121.54 2jrp s HIS 77 Ca 0.00 1.79 0.06 0.00 -0.15 0.00 0.00 55.06 56.76 2jrp s HIS 77 Cb 0.00 -2.90 -0.02 0.00 1.11 0.00 0.00 32.58 30.77 2jrp s HIS 77 CO 0.00 0.39 -0.22 -3.38 -0.85 0.00 0.00 174.74 170.68 2jrp s HIS 78 N -1.32 2.49 -0.19 1.40 -0.00 -1.26 -5.12 115.29 111.29 2jrp s HIS 78 Ca 0.43 -0.50 -0.16 0.00 -0.00 0.00 0.00 55.06 54.83 2jrp s HIS 78 Cb -0.23 -1.59 0.05 0.00 -0.00 0.00 0.00 32.58 30.81 2jrp s HIS 78 CO 0.28 -0.07 0.51 -3.38 -0.00 0.00 0.00 174.74 172.07 2jrp s HIS 79 N -0.39 -0.61 0.09 0.38 -3.43 -1.26 -5.08 115.29 104.99 2jrp s HIS 79 Ca 0.03 1.42 0.00 0.00 -0.80 0.00 0.00 55.06 55.72 2jrp s HIS 79 Cb -0.12 0.25 0.00 0.00 -1.43 0.00 0.00 32.58 31.28 2jrp s HIS 79 CO 0.02 -0.31 0.00 0.72 -2.00 0.00 0.00 174.74 173.17 2jrp n HIS 80 N 3.24 -0.69 -0.95 0.38 8.25 -1.26 -5.32 115.22 118.86 2jrp n HIS 80 Ca -0.16 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2jrp n HIS 80 Cb 0.56 0.37 0.00 0.00 1.12 0.00 0.00 29.99 32.04 2jrp n HIS 80 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56