#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrr n THR 2 N 0.00 0.10 -0.65 2.03 -2.24 -1.26 -4.86 114.28 107.41 2jrr n THR 2 Ca 0.00 0.03 -0.03 0.00 -2.27 0.00 0.00 64.05 61.78 2jrr n THR 2 Cb 0.00 -0.61 -0.01 0.00 -2.10 0.00 0.00 70.33 67.61 2jrr n THR 2 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2jrr n ILE 3 N -1.15 0.00 -3.65 2.28 -6.64 -1.26 -4.73 119.36 104.20 2jrr n ILE 3 Ca 0.16 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.14 2jrr n ILE 3 Cb 0.15 -0.49 0.00 0.00 -1.44 0.00 0.00 39.64 37.86 2jrr n ILE 3 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2jrr n GLN 4 N -0.24 0.00 -3.28 6.28 6.02 -1.26 -4.81 117.38 120.08 2jrr n GLN 4 Ca -0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.83 2jrr n GLN 4 Cb 0.21 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.41 2jrr n GLN 4 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jrr s ALA 5 N -1.73 -0.77 -0.95 -1.58 0.00 -1.26 -5.08 121.76 110.39 2jrr s ALA 5 Ca 0.00 -0.86 -0.26 0.00 0.00 0.00 0.00 51.96 50.85 2jrr s ALA 5 Cb 0.00 -2.20 -0.15 0.00 0.00 0.00 0.00 23.12 20.77 2jrr s ALA 5 CO 0.00 -2.16 2.18 -2.14 0.00 0.00 0.00 175.76 173.64 2jrr s PRO 6 N 1.33 1.72 -0.78 0.00 0.02 -1.26 -4.28 135.00 131.75 2jrr s PRO 6 Ca 0.19 -0.14 -0.22 0.00 0.02 0.00 0.00 61.00 60.86 2jrr s PRO 6 Cb -0.11 -4.95 0.09 0.00 0.02 0.00 0.00 34.50 29.55 2jrr s PRO 6 CO -0.05 -4.56 1.07 -2.00 -0.33 0.00 0.00 177.00 171.13 2jrr s GLU 7 N 8.15 3.31 -0.01 5.54 2.12 -0.97 -4.87 118.70 131.97 2jrr s GLU 7 Ca 0.82 -1.12 -0.30 0.00 0.36 0.00 0.00 54.97 54.73 2jrr s GLU 7 Cb -0.08 -4.53 -0.04 0.00 0.26 0.00 0.00 34.13 29.74 2jrr s GLU 7 CO 0.10 -1.85 1.17 0.99 -0.54 0.00 0.00 175.26 175.14 2jrr s THR 8 N 3.77 4.25 -0.05 -1.70 2.01 -1.26 0.16 115.64 122.82 2jrr s THR 8 Ca 0.28 1.59 -0.02 0.00 0.31 0.00 0.00 61.69 63.85 2jrr s THR 8 Cb -0.11 -4.02 0.03 0.00 0.01 0.00 0.00 72.50 68.41 2jrr s THR 8 CO 0.03 0.06 0.09 -0.54 -0.69 0.00 0.00 174.62 173.56 2jrr s LYS 9 N 1.65 -0.03 -0.26 4.92 1.02 -0.18 -4.94 119.74 121.93 2jrr s LYS 9 Ca 0.56 0.38 -0.21 0.00 0.02 0.00 0.00 55.97 56.72 2jrr s LYS 9 Cb -0.26 -0.36 -0.01 0.00 -0.52 0.00 0.00 37.83 36.68 2jrr s LYS 9 CO 0.25 -0.27 0.67 0.42 -0.92 0.00 0.00 175.35 175.50 2jrr s ILE 10 N 1.84 4.94 0.16 2.17 1.09 -1.26 -0.11 121.20 130.04 2jrr s ILE 10 Ca -0.00 1.19 0.05 0.00 -1.10 0.00 0.00 60.65 60.79 2jrr s ILE 10 Cb -0.12 -3.98 -0.04 0.00 -1.06 0.00 0.00 42.46 37.26 2jrr s ILE 10 CO -0.04 -0.02 0.13 -0.69 -0.10 0.00 0.00 174.94 174.22 2jrr s VAL 11 N 2.59 4.44 0.04 2.92 1.01 0.18 -4.87 120.40 126.71 2jrr s VAL 11 Ca 0.28 -1.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 2jrr s VAL 11 Cb -0.15 -3.26 -0.32 0.00 0.00 0.00 0.00 36.38 32.65 2jrr s VAL 11 CO 0.09 -0.10 1.01 -0.78 0.00 0.00 0.00 175.10 175.31 2jrr h ASP 12 N 2.47 0.64 -1.97 3.32 1.82 -1.96 -0.24 116.42 120.49 2jrr h ASP 12 Ca -0.48 -0.72 -0.46 0.00 -0.39 0.00 0.00 57.03 54.98 2jrr h ASP 12 Cb 1.20 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.99 2jrr h ASP 12 CO 0.63 1.57 -0.41 -0.54 -1.61 0.00 0.00 179.24 178.88 2jrr s LYS 13 N -2.62 3.14 0.02 0.28 3.01 -1.26 -4.69 119.74 117.62 2jrr s LYS 13 Ca -0.08 -0.98 -0.17 0.00 -1.01 0.00 0.00 55.97 53.73 2jrr s LYS 13 Cb 0.05 -2.76 -0.35 0.00 -1.01 0.00 0.00 37.83 33.76 2jrr s LYS 13 CO 0.91 0.22 0.98 0.77 0.51 0.00 0.00 175.35 178.74 2jrr h SER 14 N 1.10 0.78 -3.38 2.83 0.02 -1.89 -3.43 113.55 109.58 2jrr h SER 14 Ca -0.48 -0.93 -0.60 0.00 -0.84 0.00 0.00 61.79 58.95 2jrr h SER 14 Cb 1.25 -0.26 -0.10 0.00 0.14 0.00 0.00 62.40 63.43 2jrr h SER 14 CO 0.57 1.65 0.42 0.00 -1.14 0.00 0.00 176.83 178.33 2jrr s ARG 15 N -2.57 4.06 -0.18 3.45 1.70 -1.26 -0.54 118.95 123.61 2jrr s ARG 15 Ca -0.10 0.73 -0.03 0.00 -0.47 0.00 0.00 55.73 55.86 2jrr s ARG 15 Cb 0.03 -3.69 -0.02 0.00 -0.57 0.00 0.00 34.95 30.71 2jrr s ARG 15 CO 0.93 -0.60 -0.06 0.08 -1.08 0.00 0.00 175.30 174.57 2jrr s VAL 16 N 2.90 3.47 -1.23 4.99 1.01 0.11 -4.90 120.40 126.74 2jrr s VAL 16 Ca 0.33 -0.49 -0.20 0.00 0.00 0.00 0.00 61.98 61.63 2jrr s VAL 16 Cb -0.15 -2.54 0.05 0.00 0.00 0.00 0.00 36.38 33.75 2jrr s VAL 16 CO 0.10 0.46 1.70 0.00 0.00 0.00 0.00 175.10 177.37 2jrr s ALA 17 N 0.92 3.04 0.89 5.51 0.00 -1.26 -1.09 121.76 129.77 2jrr s ALA 17 Ca -0.01 -2.70 -0.10 0.00 0.00 0.00 0.00 51.96 49.15 2jrr s ALA 17 Cb -0.15 -4.63 0.18 0.00 0.00 0.00 0.00 23.12 18.53 2jrr s ALA 17 CO 0.01 -3.55 1.21 0.00 0.00 0.00 0.00 175.76 173.43 2jrr n ASP 19 N -3.45 0.10 0.00 0.00 8.00 -1.26 -1.47 116.55 118.47 2jrr n ASP 19 Ca 0.16 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.80 2jrr n ASP 19 Cb 0.60 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 2jrr n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jrr n GLY 20 N 2.20 -0.55 0.00 0.44 0.00 -1.26 -0.74 105.19 105.28 2jrr n GLY 20 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2jrr n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jrr n GLY 21 N 0.00 0.38 3.81 -0.02 0.00 -0.76 -3.46 105.19 105.14 2jrr n GLY 21 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2jrr n GLY 21 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jrr s GLU 22 N 1.28 2.46 0.24 1.61 8.01 -1.26 -4.78 118.70 126.25 2jrr s GLU 22 Ca 0.00 0.77 -0.11 0.00 0.01 0.00 0.00 54.97 55.64 2jrr s GLU 22 Cb 0.00 -1.95 0.33 0.00 -4.31 0.00 0.00 34.13 28.20 2jrr s GLU 22 CO 0.00 -1.39 1.61 0.78 0.01 0.00 0.00 175.26 176.27 2jrr h GLY 23 N -0.92 0.59 1.30 -1.39 0.00 -1.96 0.15 103.07 100.83 2jrr h GLY 23 Ca -0.46 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2jrr h GLY 23 CO 0.58 -0.29 0.00 0.00 0.00 0.00 0.00 176.54 176.83 2jrr n ALA 24 N -3.22 2.57 -2.27 3.60 0.00 -1.26 -3.78 120.51 116.15 2jrr n ALA 24 Ca 0.11 -0.17 -0.31 0.00 0.00 0.00 0.00 53.44 53.07 2jrr n ALA 24 Cb 0.40 -1.50 0.01 0.00 0.00 0.00 0.00 19.45 18.36 2jrr n ALA 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jrr n LEU 25 N -1.15 5.60 0.00 0.00 4.77 0.54 -5.04 117.00 121.72 2jrr n LEU 25 Ca 0.19 -5.07 0.00 0.00 -0.03 0.00 0.00 56.01 51.10 2jrr n LEU 25 Cb 0.18 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 2jrr n LEU 25 CO 0.20 2.08 0.00 0.61 -1.33 0.00 0.00 177.39 178.95 2jrr n GLY 26 N -0.52 0.17 2.55 -0.72 0.00 -1.23 -1.82 105.19 103.62 2jrr n GLY 26 Ca 0.44 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 2jrr n GLY 26 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jrr n HIS 27 N 0.00 -1.44 0.37 1.61 8.25 0.08 -4.89 115.22 119.21 2jrr n HIS 27 Ca 0.00 0.58 0.11 0.00 -0.26 0.00 0.00 57.72 58.15 2jrr n HIS 27 Cb 0.00 -3.75 0.18 0.00 1.12 0.00 0.00 29.99 27.54 2jrr n HIS 27 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2jrr n PRO 28 N -2.98 2.35 -1.66 -0.41 -0.04 -1.26 -5.00 135.00 125.99 2jrr n PRO 28 Ca -0.13 -2.14 -0.01 0.00 -0.04 0.00 0.00 63.50 61.18 2jrr n PRO 28 Cb 0.58 -1.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 2jrr n PRO 28 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2jrr n ARG 29 N 1.35 -0.67 -4.43 0.54 0.00 -1.26 -5.10 116.66 107.09 2jrr n ARG 29 Ca 0.17 0.93 -0.22 0.00 -0.00 0.00 0.00 57.85 58.74 2jrr n ARG 29 Cb 0.57 -1.61 -0.16 0.00 0.00 0.00 0.00 32.46 31.26 2jrr n ARG 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2jrr s VAL 30 N -0.11 0.88 -0.31 5.15 -7.23 -0.54 -5.01 120.40 113.22 2jrr s VAL 30 Ca -0.04 -0.36 -0.09 0.00 -1.81 0.00 0.00 61.98 59.69 2jrr s VAL 30 Cb 0.00 -0.81 0.00 0.00 0.56 0.00 0.00 36.38 36.13 2jrr s VAL 30 CO 0.12 0.29 0.13 0.26 -0.31 0.00 0.00 175.10 175.59 2jrr s TRP 31 N 0.56 3.17 -0.14 2.82 0.52 -1.26 0.82 118.94 125.44 2jrr s TRP 31 Ca -0.10 -0.75 -0.04 0.00 0.02 0.00 0.00 56.10 55.23 2jrr s TRP 31 Cb -0.13 -2.32 -0.03 0.00 -1.15 0.00 0.00 33.47 29.83 2jrr s TRP 31 CO 0.02 -0.51 -0.01 -0.51 0.02 0.00 0.00 176.95 175.95 2jrr s LEU 32 N 1.57 3.42 -0.26 2.99 1.02 -0.25 -4.86 118.68 122.31 2jrr s LEU 32 Ca 0.04 -0.02 -0.20 0.00 0.02 0.00 0.00 54.13 53.96 2jrr s LEU 32 Cb -0.17 -1.81 -0.02 0.00 0.02 0.00 0.00 46.19 44.20 2jrr s LEU 32 CO 0.05 0.23 0.61 -1.58 0.02 0.00 0.00 176.35 175.69 2jrr s GLN 33 N -0.01 4.10 -0.27 1.70 2.00 -1.26 -0.71 119.66 125.19 2jrr s GLN 33 Ca 0.02 0.51 -0.29 0.00 -2.00 0.00 0.00 55.36 53.60 2jrr s GLN 33 Cb -0.13 -3.65 0.01 0.00 0.80 0.00 0.00 33.01 30.04 2jrr s GLN 33 CO 0.02 -0.41 1.06 0.42 -0.50 0.00 0.00 175.29 175.88 2jrr s ILE 34 N 2.48 4.59 -0.20 -2.34 1.01 0.30 -4.89 121.20 122.15 2jrr s ILE 34 Ca 0.25 1.88 -0.26 0.00 0.00 0.00 0.00 60.65 62.52 2jrr s ILE 34 Cb -0.15 -4.36 -0.00 0.00 0.01 0.00 0.00 42.46 37.95 2jrr s ILE 34 CO 0.09 -0.33 0.90 -2.16 0.00 0.00 0.00 174.94 173.43 2jrr s PRO 35 N 3.44 4.26 0.45 2.79 0.04 -1.26 -4.86 135.00 139.86 2jrr s PRO 35 Ca 0.45 1.11 0.25 0.00 0.04 0.00 0.00 61.00 62.85 2jrr s PRO 35 Cb -0.14 -3.61 1.37 0.00 0.04 0.00 0.00 34.50 32.16 2jrr s PRO 35 CO 0.11 -0.47 1.74 0.93 0.04 0.00 0.00 177.00 179.35 2jrr h GLU 36 N 7.46 0.00 0.00 4.56 5.08 -1.95 0.36 114.58 130.09 2jrr h GLU 36 Ca -0.25 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 2jrr h GLU 36 Cb 1.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 2jrr h GLU 36 CO 0.89 0.00 -0.08 -0.44 -1.00 0.00 0.00 179.01 178.38 2jrr h ASP 37 N 0.00 0.00 0.00 1.42 5.19 -2.00 -3.37 116.42 117.66 2jrr h ASP 37 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2jrr h ASP 37 Cb 0.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.80 2jrr h ASP 37 CO 0.00 0.08 -0.44 1.07 -3.12 0.00 0.00 179.24 176.83 2jrr n THR 38 N -4.33 0.00 0.00 0.35 5.66 -0.46 -5.08 114.28 110.42 2jrr n THR 38 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 2jrr n THR 38 Cb 0.16 -0.25 0.00 0.00 -1.55 0.00 0.00 70.33 68.69 2jrr n THR 38 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jrr n GLY 39 N 2.29 0.81 3.26 1.09 0.00 0.11 -3.45 105.19 109.31 2jrr n GLY 39 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2jrr n GLY 39 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2jrr s TRP 40 N -2.00 0.55 -0.07 1.61 1.48 -1.26 -0.57 118.94 118.68 2jrr s TRP 40 Ca 0.00 -0.92 -0.11 0.00 -1.06 0.00 0.00 56.10 54.01 2jrr s TRP 40 Cb 0.00 -0.21 0.02 0.00 -1.16 0.00 0.00 33.47 32.12 2jrr s TRP 40 CO 0.00 -0.64 0.27 0.54 -4.06 0.00 0.00 176.95 173.06 2jrr s VAL 41 N -3.99 0.03 -0.01 -0.66 0.11 -0.22 -4.35 120.40 111.31 2jrr s VAL 41 Ca 0.19 -0.22 0.06 0.00 -2.93 0.00 0.00 61.98 59.08 2jrr s VAL 41 Cb 0.05 -0.46 -0.03 0.00 -1.53 0.00 0.00 36.38 34.41 2jrr s VAL 41 CO -0.00 -0.12 -0.19 -1.61 -3.33 0.00 0.00 175.10 169.85 2jrr s GLU 42 N -0.44 2.24 -0.34 1.54 2.02 -1.26 -0.13 118.70 122.33 2jrr s GLU 42 Ca -0.06 -0.86 -0.05 0.00 0.02 0.00 0.00 54.97 54.02 2jrr s GLU 42 Cb -0.04 -2.21 0.05 0.00 0.10 0.00 0.00 34.13 32.03 2jrr s GLU 42 CO 0.02 0.58 0.09 0.00 0.02 0.00 0.00 175.26 175.97 2jrr n PRO 44 N 4.77 0.45 0.00 0.00 -0.04 -1.26 -0.52 135.00 138.40 2jrr n PRO 44 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2jrr n PRO 44 Cb 0.44 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 2jrr n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jrr n TYR 45 N -0.07 0.00 1.47 0.54 4.01 -1.26 -4.55 117.16 117.30 2jrr n TYR 45 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.85 2jrr n TYR 45 Cb 0.06 -0.08 0.45 0.00 -0.31 0.00 0.00 39.34 39.47 2jrr n TYR 45 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jrr n ASP 47 N -0.02 -5.15 -4.61 0.00 8.00 0.32 -4.40 116.55 110.70 2jrr n ASP 47 Ca 0.16 -0.02 -0.43 0.00 0.71 0.00 0.00 54.79 55.21 2jrr n ASP 47 Cb 0.26 -4.28 -0.03 0.00 -0.02 0.00 0.00 41.12 37.04 2jrr n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jrr s LYS 49 N 5.75 3.01 -0.32 0.00 2.20 0.12 -2.02 119.74 128.49 2jrr s LYS 49 Ca 0.87 -1.44 -0.23 0.00 -0.36 0.00 0.00 55.97 54.81 2jrr s LYS 49 Cb -0.27 -4.22 0.00 0.00 -1.51 0.00 0.00 37.83 31.83 2jrr s LYS 49 CO 0.34 -1.25 0.76 0.71 -0.36 0.00 0.00 175.35 175.56 2jrr s TYR 50 N 1.88 3.19 -0.07 4.03 2.02 0.81 -1.01 117.35 128.20 2jrr s TYR 50 Ca 0.06 0.72 -0.11 0.00 -0.37 0.00 0.00 57.07 57.38 2jrr s TYR 50 Cb -0.26 -3.22 -0.05 0.00 -0.40 0.00 0.00 41.96 38.03 2jrr s TYR 50 CO 0.06 -0.59 0.26 0.08 -1.57 0.00 0.00 175.55 173.79 2jrr s VAL 51 N 2.93 5.29 0.07 0.71 1.01 0.84 -1.06 120.40 130.20 2jrr s VAL 51 Ca 0.31 0.50 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 2jrr s VAL 51 Cb -0.14 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 2jrr s VAL 51 CO 0.13 0.59 1.07 -0.22 0.00 0.00 0.00 175.10 176.67 2jrr s LEU 52 N -0.98 4.41 -0.31 3.92 2.96 0.26 -0.65 118.68 128.30 2jrr s LEU 52 Ca 0.19 1.87 -0.33 0.00 -0.22 0.00 0.00 54.13 55.63 2jrr s LEU 52 Cb -0.14 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.87 2jrr s LEU 52 CO 0.08 -0.29 2.19 1.17 -1.32 0.00 0.00 176.35 178.18 2jrr n LYS 53 N 3.46 1.34 -0.72 1.98 4.81 -0.10 -1.14 118.16 127.79 2jrr n LYS 53 Ca 0.06 0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 2jrr n LYS 53 Cb 0.48 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.86 2jrr n LYS 53 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jrr n GLY 54 N 6.27 0.81 3.63 3.14 0.00 -1.26 -5.03 105.19 112.75 2jrr n GLY 54 Ca 0.38 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 2jrr n GLY 54 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jrr s SER 55 N -2.77 1.60 0.50 1.61 0.15 -0.29 -4.83 113.70 109.66 2jrr s SER 55 Ca 0.00 0.82 0.27 0.00 0.70 0.00 0.00 55.95 57.74 2jrr s SER 55 Cb 0.00 -1.22 1.27 0.00 -1.71 0.00 0.00 66.02 64.37 2jrr s SER 55 CO 0.00 -3.72 1.98 0.50 1.20 0.00 0.00 173.24 173.20 2jrr h LYS 56 N -2.30 0.00 0.00 5.44 3.64 -1.86 0.38 116.57 121.87 2jrr h LYS 56 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2jrr h LYS 56 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 2jrr h LYS 56 CO 0.43 0.15 0.00 0.00 -2.27 0.00 0.00 179.45 177.76 2jrr h ALA 57 N 1.85 1.00 -0.93 5.00 0.00 -1.83 -3.02 119.26 121.33 2jrr h ALA 57 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 2jrr h ALA 57 Cb 0.50 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.01 2jrr h ALA 57 CO 0.02 0.00 0.58 -3.47 0.00 0.00 0.00 179.25 176.38 2jrr n ASP 58 N -2.85 3.71 -1.07 0.00 2.03 0.12 -4.49 116.55 113.99 2jrr n ASP 58 Ca 0.02 -3.60 0.07 0.00 0.52 0.00 0.00 54.79 51.80 2jrr n ASP 58 Cb 0.37 -0.82 0.23 0.00 -0.72 0.00 0.00 41.12 40.19 2jrr n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jrr n ALA 59 N -1.09 2.73 -1.17 -1.67 0.00 -1.14 -4.74 120.51 113.43 2jrr n ALA 59 Ca 0.57 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2jrr n ALA 59 Cb 1.61 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2jrr n ALA 59 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jrr n LEU 60 N 0.79 0.00 0.00 0.00 4.32 -1.26 -4.59 117.00 116.25 2jrr n LEU 60 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.16 2jrr n LEU 60 Cb 0.56 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 2jrr n LEU 60 CO 0.14 -0.03 0.00 -0.62 -1.22 0.00 0.00 177.39 175.66 2jrr n GLU 61 N -0.07 0.00 -3.61 3.23 -0.58 -1.26 -4.62 120.64 113.73 2jrr n GLU 61 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 2jrr n GLU 61 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.80 2jrr n GLU 61 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 2jrr s HIS 62 N 0.00 -0.57 0.99 -0.32 -3.43 -1.26 -5.18 115.29 105.52 2jrr s HIS 62 Ca 0.00 1.29 -0.17 0.00 -0.80 0.00 0.00 55.06 55.38 2jrr s HIS 62 Cb 0.00 0.36 0.22 0.00 -1.43 0.00 0.00 32.58 31.72 2jrr s HIS 62 CO 0.00 -0.33 1.32 -1.01 -2.00 0.00 0.00 174.74 172.71 2jrr s HIS 63 N -0.11 1.40 0.09 0.38 3.76 -1.26 -5.04 115.29 114.52 2jrr s HIS 63 Ca -0.00 0.30 0.00 0.00 -0.15 0.00 0.00 55.06 55.21 2jrr s HIS 63 Cb -0.04 -4.12 0.00 0.00 1.11 0.00 0.00 32.58 29.54 2jrr s HIS 63 CO -0.01 -2.82 0.00 -2.39 -0.85 0.00 0.00 174.74 168.67 2jrr n HIS 64 N -3.88 -1.97 -0.66 1.40 1.44 -1.26 -5.05 115.22 105.23 2jrr n HIS 64 Ca 0.16 0.27 0.00 0.00 -2.01 0.00 0.00 57.72 56.13 2jrr n HIS 64 Cb 0.59 0.99 0.00 0.00 0.12 0.00 0.00 29.99 31.69 2jrr n HIS 64 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2jrr n HIS 65 N -2.73 0.00 -1.15 -1.40 -0.00 -1.26 -4.77 115.22 103.91 2jrr n HIS 65 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2jrr n HIS 65 Cb 0.00 -1.55 0.00 0.00 -0.12 0.00 0.00 29.99 28.32 2jrr n HIS 65 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2jrr n HIS 66 N -2.02 -0.65 1.52 1.57 1.44 -1.26 -5.39 115.22 110.43 2jrr n HIS 66 Ca 0.00 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.85 2jrr n HIS 66 Cb 0.13 0.06 0.54 0.00 0.12 0.00 0.00 29.99 30.84 2jrr n HIS 66 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14