#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 0.91 0.00 3.17 -1.04 -1.26 -4.99 114.28 111.07 2jrr n THR 2 Ca 0.00 -0.96 0.00 0.00 -2.04 0.00 0.00 64.05 61.05 2jrr n THR 2 Cb 0.00 0.55 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 2jrr n THR 2 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2jrr n ILE 3 N -0.35 0.00 -2.03 12.58 2.08 -1.26 -4.61 119.36 125.77 2jrr n ILE 3 Ca 0.01 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.18 2jrr n ILE 3 Cb 0.25 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.11 2jrr n ILE 3 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2jrr n GLN 4 N 0.00 -1.80 -3.83 0.38 10.64 -1.26 -4.91 117.38 116.60 2jrr n GLN 4 Ca 0.00 0.74 -0.31 0.00 -1.83 0.00 0.00 57.00 55.60 2jrr n GLN 4 Cb 0.00 -5.21 -0.11 0.00 -0.86 0.00 0.00 30.24 24.06 2jrr n GLN 4 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2jrr s ALA 5 N -2.50 3.81 -0.16 2.61 0.00 -1.26 -4.96 121.76 119.30 2jrr s ALA 5 Ca 0.00 -3.69 0.01 0.00 0.00 0.00 0.00 51.96 48.28 2jrr s ALA 5 Cb 0.00 -2.37 0.22 0.00 0.00 0.00 0.00 23.12 20.98 2jrr s ALA 5 CO 0.00 -2.10 1.39 -0.35 0.00 0.00 0.00 175.76 174.70 2jrr n PRO 6 N 2.40 1.45 -2.58 0.00 -0.04 -1.26 -4.94 135.00 130.02 2jrr n PRO 6 Ca 0.16 -1.05 -0.02 0.00 -0.04 0.00 0.00 63.50 62.55 2jrr n PRO 6 Cb 0.35 -1.41 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 2jrr n PRO 6 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2jrr n GLU 7 N 0.01 -3.09 -2.89 0.54 2.13 -1.26 -0.18 120.64 115.89 2jrr n GLU 7 Ca 0.21 2.36 -0.42 0.00 0.66 0.00 0.00 57.16 59.97 2jrr n GLU 7 Cb 0.87 -3.09 -0.04 0.00 0.27 0.00 0.00 31.44 29.45 2jrr n GLU 7 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2jrr s THR 8 N -0.36 4.70 -0.36 6.31 2.01 -1.26 -1.34 115.64 125.34 2jrr s THR 8 Ca -0.10 1.11 0.03 0.00 0.31 0.00 0.00 61.69 63.04 2jrr s THR 8 Cb 0.01 -4.24 0.10 0.00 0.01 0.00 0.00 72.50 68.38 2jrr s THR 8 CO 0.28 -0.41 0.09 -0.54 -0.69 0.00 0.00 174.62 173.34 2jrr s LYS 9 N 3.19 1.42 -0.10 4.92 1.02 -0.61 -5.00 119.74 124.59 2jrr s LYS 9 Ca 0.34 -1.86 -0.24 0.00 0.02 0.00 0.00 55.97 54.24 2jrr s LYS 9 Cb -0.13 -3.03 -0.03 0.00 -0.52 0.00 0.00 37.83 34.12 2jrr s LYS 9 CO 0.16 -0.97 0.73 0.42 -0.92 0.00 0.00 175.35 174.77 2jrr s ILE 10 N 0.85 5.00 0.26 2.17 1.01 -1.26 -0.50 121.20 128.73 2jrr s ILE 10 Ca 0.12 1.47 0.07 0.00 0.00 0.00 0.00 60.65 62.31 2jrr s ILE 10 Cb -0.20 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 2jrr s ILE 10 CO -0.09 0.18 -0.09 0.68 0.00 0.00 0.00 174.94 175.62 2jrr s VAL 11 N 1.25 1.71 -0.27 2.92 -7.23 0.21 -4.96 120.40 114.03 2jrr s VAL 11 Ca 0.37 -2.16 0.23 0.00 -1.81 0.00 0.00 61.98 58.61 2jrr s VAL 11 Cb -0.17 -2.35 0.03 0.00 0.56 0.00 0.00 36.38 34.44 2jrr s VAL 11 CO 0.16 -0.37 1.10 -2.24 -0.31 0.00 0.00 175.10 173.44 2jrr h ASP 12 N 2.34 0.00 -4.46 4.85 2.03 -1.93 -0.03 116.42 119.22 2jrr h ASP 12 Ca -0.40 -0.01 -0.39 0.00 -0.73 0.00 0.00 57.03 55.51 2jrr h ASP 12 Cb 1.23 0.00 -0.23 0.00 -0.83 0.00 0.00 39.33 39.50 2jrr h ASP 12 CO 0.66 0.00 -0.77 -1.59 -1.03 0.00 0.00 179.24 176.51 2jrr s LYS 13 N -3.34 0.77 0.34 4.15 -2.85 -1.26 -4.72 119.74 112.82 2jrr s LYS 13 Ca 0.00 -0.81 0.10 0.00 -1.00 0.00 0.00 55.97 54.27 2jrr s LYS 13 Cb 0.09 -0.73 0.60 0.00 -2.06 0.00 0.00 37.83 35.73 2jrr s LYS 13 CO 0.78 0.17 1.77 0.66 0.10 0.00 0.00 175.35 178.82 2jrr h SER 14 N 4.63 0.08 -2.68 0.03 4.64 -1.91 -3.41 113.55 114.94 2jrr h SER 14 Ca -0.38 -0.03 -0.54 0.00 -0.47 0.00 0.00 61.79 60.37 2jrr h SER 14 Cb 1.19 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 63.20 2jrr h SER 14 CO 0.42 0.48 1.14 -0.13 -0.87 0.00 0.00 176.83 177.87 2jrr s ARG 15 N -4.12 3.21 -0.17 4.77 0.52 -1.26 -1.87 118.95 120.03 2jrr s ARG 15 Ca -0.03 0.47 0.00 0.00 -0.52 0.00 0.00 55.73 55.65 2jrr s ARG 15 Cb 0.14 -4.16 0.01 0.00 0.52 0.00 0.00 34.95 31.45 2jrr s ARG 15 CO 0.74 -2.05 -0.17 0.08 0.02 0.00 0.00 175.30 173.93 2jrr s VAL 16 N 6.44 2.41 -0.48 3.52 1.01 -0.21 -4.93 120.40 128.16 2jrr s VAL 16 Ca 0.54 -0.84 -0.28 0.00 0.00 0.00 0.00 61.98 61.40 2jrr s VAL 16 Cb -0.11 -2.02 0.03 0.00 0.00 0.00 0.00 36.38 34.28 2jrr s VAL 16 CO 0.24 0.52 1.09 0.00 0.00 0.00 0.00 175.10 176.94 2jrr s ALA 17 N 1.10 3.16 -0.45 5.51 0.00 -1.26 -0.10 121.76 129.73 2jrr s ALA 17 Ca 0.00 -0.60 -0.27 0.00 0.00 0.00 0.00 51.96 51.09 2jrr s ALA 17 Cb -0.14 -3.84 -0.03 0.00 0.00 0.00 0.00 23.12 19.10 2jrr s ALA 17 CO -0.06 -2.25 2.00 0.00 0.00 0.00 0.00 175.76 175.45 2jrr n ASP 19 N 12.54 0.00 0.00 0.00 5.75 -1.26 -4.33 116.55 129.25 2jrr n ASP 19 Ca 0.26 0.17 0.00 0.00 -0.01 0.00 0.00 54.79 55.21 2jrr n ASP 19 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 2jrr n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jrr n GLY 20 N 0.69 0.47 0.00 6.12 0.00 -1.26 -0.75 105.19 110.46 2jrr n GLY 20 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.94 -1.11 3.62 -0.02 0.00 -0.24 -4.90 105.19 101.60 2jrr n GLY 21 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2jrr n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jrr s GLU 22 N -1.58 0.48 0.00 1.61 2.12 -1.26 -4.95 118.70 115.12 2jrr s GLU 22 Ca 0.00 0.87 0.00 0.00 0.36 0.00 0.00 54.97 56.20 2jrr s GLU 22 Cb 0.00 0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.56 2jrr s GLU 22 CO 0.00 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.02 2jrr n GLY 23 N 4.09 0.58 0.27 -1.50 0.00 -1.26 -0.35 105.19 107.01 2jrr n GLY 23 Ca -0.18 0.52 0.10 0.00 0.00 0.00 0.00 46.02 46.46 2jrr n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jrr h ALA 24 N 0.00 1.83 -0.55 4.61 0.00 -2.03 -1.22 119.26 121.90 2jrr h ALA 24 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2jrr h ALA 24 Cb 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 2jrr h ALA 24 CO 0.00 0.02 0.15 1.28 0.00 0.00 0.00 179.25 180.71 2jrr n LEU 25 N -4.31 5.10 -4.93 0.00 4.77 0.52 -4.95 117.00 113.20 2jrr n LEU 25 Ca -0.03 -2.63 -0.29 0.00 -0.03 0.00 0.00 56.01 53.03 2jrr n LEU 25 Cb 0.10 -0.68 0.16 0.00 -2.33 0.00 0.00 43.42 40.67 2jrr n LEU 25 CO 0.32 0.66 0.84 -0.83 -1.33 0.00 0.00 177.39 177.05 2jrr s GLY 26 N -0.67 1.74 -0.01 -0.72 0.00 -0.46 -1.08 107.32 106.12 2jrr s GLY 26 Ca 0.43 -1.09 0.05 0.00 0.00 0.00 0.00 44.72 44.11 2jrr s GLY 26 CO 0.11 -0.40 -0.16 0.30 0.00 0.00 0.00 173.10 172.95 2jrr s HIS 27 N -3.77 1.42 -0.31 1.90 3.76 0.07 -4.88 115.29 113.48 2jrr s HIS 27 Ca 0.71 -0.27 -0.06 0.00 -0.15 0.00 0.00 55.06 55.29 2jrr s HIS 27 Cb -0.06 -0.91 -0.18 0.00 1.11 0.00 0.00 32.58 32.54 2jrr s HIS 27 CO 0.52 -0.02 2.93 -0.35 -0.85 0.00 0.00 174.74 176.96 2jrr n PRO 28 N 2.64 1.94 -2.78 8.40 -0.04 -1.26 -4.68 135.00 139.22 2jrr n PRO 28 Ca -0.15 -1.06 -0.04 0.00 -0.04 0.00 0.00 63.50 62.22 2jrr n PRO 28 Cb 0.55 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 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 2.89 -3.02 -4.05 0.54 3.00 -1.26 -5.03 116.66 109.73 2jrr n ARG 29 Ca 0.42 2.51 -0.33 0.00 -0.00 0.00 0.00 57.85 60.44 2jrr n ARG 29 Cb 0.61 -5.48 -0.15 0.00 0.00 0.00 0.00 32.46 27.44 2jrr n ARG 29 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2jrr s VAL 30 N -2.04 2.36 -0.55 5.15 1.01 -1.26 -5.02 120.40 120.05 2jrr s VAL 30 Ca 0.11 -1.20 -0.21 0.00 0.00 0.00 0.00 61.98 60.68 2jrr s VAL 30 Cb -0.03 -2.20 0.06 0.00 0.00 0.00 0.00 36.38 34.22 2jrr s VAL 30 CO 0.78 0.24 0.77 0.26 0.00 0.00 0.00 175.10 177.14 2jrr s TRP 31 N 1.24 2.92 -0.01 5.22 0.52 -1.26 -0.56 118.94 127.00 2jrr s TRP 31 Ca -0.01 -0.47 -0.26 0.00 0.02 0.00 0.00 56.10 55.37 2jrr s TRP 31 Cb -0.17 -3.86 -0.04 0.00 -1.15 0.00 0.00 33.47 28.26 2jrr s TRP 31 CO -0.08 -1.24 0.82 -0.51 0.02 0.00 0.00 176.95 175.96 2jrr s LEU 32 N 3.18 4.37 -0.51 2.99 1.02 0.86 -4.83 118.68 125.76 2jrr s LEU 32 Ca 0.19 1.43 -0.19 0.00 0.02 0.00 0.00 54.13 55.58 2jrr s LEU 32 Cb -0.18 -3.31 0.06 0.00 0.02 0.00 0.00 46.19 42.78 2jrr s LEU 32 CO 0.13 -0.14 0.64 -1.58 0.02 0.00 0.00 176.35 175.42 2jrr s GLN 33 N 0.67 3.13 0.07 1.70 2.00 -1.26 -1.04 119.66 124.93 2jrr s GLN 33 Ca 0.43 -0.88 -0.31 0.00 -2.00 0.00 0.00 55.36 52.61 2jrr s GLN 33 Cb -0.20 -4.10 -0.08 0.00 0.80 0.00 0.00 33.01 29.43 2jrr s GLN 33 CO 0.23 -1.24 1.67 0.42 -0.50 0.00 0.00 175.29 175.87 2jrr s ILE 34 N 2.69 3.02 -0.17 -2.34 1.01 -0.78 -4.96 121.20 119.67 2jrr s ILE 34 Ca 0.16 0.45 -0.29 0.00 0.00 0.00 0.00 60.65 60.97 2jrr s ILE 34 Cb -0.19 -3.29 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 2jrr s ILE 34 CO 0.12 -0.00 1.32 -2.16 0.00 0.00 0.00 174.94 174.22 2jrr s PRO 35 N 2.74 4.17 0.44 2.79 0.04 -1.26 -4.90 135.00 139.03 2jrr s PRO 35 Ca 0.75 1.67 0.30 0.00 0.04 0.00 0.00 61.00 63.76 2jrr s PRO 35 Cb -0.40 -3.81 1.49 0.00 0.04 0.00 0.00 34.50 31.81 2jrr s PRO 35 CO 0.33 -0.79 1.92 1.49 0.04 0.00 0.00 177.00 179.98 2jrr h GLU 36 N 8.57 0.00 -0.41 4.56 4.81 -1.95 0.29 114.58 130.45 2jrr h GLU 36 Ca -0.28 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.90 2jrr h GLU 36 Cb 1.11 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 2jrr h GLU 36 CO 0.98 0.00 0.08 0.22 -0.73 0.00 0.00 179.01 179.56 2jrr h ASP 37 N 0.00 0.64 0.00 1.04 3.58 -1.99 -3.38 116.42 116.31 2jrr h ASP 37 Ca 0.00 -0.25 -0.21 0.00 0.42 0.00 0.00 57.03 56.99 2jrr h ASP 37 Cb 0.20 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 2jrr h ASP 37 CO 0.00 0.73 -1.50 0.35 -2.88 0.00 0.00 179.24 175.93 2jrr n THR 38 N -4.52 1.50 0.00 2.25 -2.24 -0.78 -4.84 114.28 105.65 2jrr n THR 38 Ca -0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2jrr n THR 38 Cb 0.22 -2.13 0.00 0.00 -2.10 0.00 0.00 70.33 66.33 2jrr n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jrr n GLY 39 N 1.41 0.83 3.32 3.38 0.00 0.96 -2.18 105.19 112.91 2jrr n GLY 39 Ca -0.31 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.20 -0.01 1.61 1.48 -1.26 -0.82 118.94 117.74 2jrr s TRP 40 Ca 0.00 -0.11 -0.01 0.00 -1.06 0.00 0.00 56.10 54.91 2jrr s TRP 40 Cb 0.00 0.27 0.00 0.00 -1.16 0.00 0.00 33.47 32.58 2jrr s TRP 40 CO 0.00 -0.71 0.04 0.54 -4.06 0.00 0.00 176.95 172.76 2jrr s VAL 41 N -3.81 0.02 0.24 -0.66 0.11 -0.76 -4.46 120.40 111.08 2jrr s VAL 41 Ca 0.03 -0.13 -0.02 0.00 -2.93 0.00 0.00 61.98 58.94 2jrr s VAL 41 Cb 0.02 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.72 2jrr s VAL 41 CO -0.12 -0.07 0.45 -1.83 -3.33 0.00 0.00 175.10 170.20 2jrr s GLU 42 N -0.20 3.55 -0.07 1.54 4.04 -1.26 -0.50 118.70 125.80 2jrr s GLU 42 Ca -0.02 -0.24 -0.30 0.00 0.04 0.00 0.00 54.97 54.45 2jrr s GLU 42 Cb -0.02 -2.77 -0.04 0.00 0.02 0.00 0.00 34.13 31.32 2jrr s GLU 42 CO -0.00 0.33 1.33 0.00 -1.84 0.00 0.00 175.26 175.08 2jrr n PRO 44 N 5.87 0.10 -0.13 0.00 -0.02 -1.26 -3.26 135.00 136.31 2jrr n PRO 44 Ca 0.13 0.21 -0.26 0.00 -2.02 0.00 0.00 63.50 61.57 2jrr n PRO 44 Cb 0.45 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.32 2jrr n PRO 44 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2jrr n TYR 45 N -1.39 0.13 0.00 6.00 4.02 -1.26 -5.01 117.16 119.66 2jrr n TYR 45 Ca 0.05 0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 2jrr n TYR 45 Cb 0.13 -1.01 0.00 0.00 -0.02 0.00 0.00 39.34 38.44 2jrr n TYR 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jrr n ASP 47 N 0.00 0.00 -4.73 0.00 5.75 -1.24 -4.88 116.55 111.44 2jrr n ASP 47 Ca 0.00 -0.30 -0.42 0.00 -0.01 0.00 0.00 54.79 54.06 2jrr n ASP 47 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 2jrr n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jrr s LYS 49 N 0.37 2.95 -0.52 0.00 2.20 0.75 0.22 119.74 125.72 2jrr s LYS 49 Ca 0.64 -1.01 -0.19 0.00 -0.36 0.00 0.00 55.97 55.06 2jrr s LYS 49 Cb -0.43 -3.83 0.07 0.00 -1.51 0.00 0.00 37.83 32.13 2jrr s LYS 49 CO 0.37 -0.69 0.62 0.71 -0.36 0.00 0.00 175.35 176.01 2jrr s TYR 50 N 1.62 3.05 -0.02 4.03 2.02 0.34 -1.57 117.35 126.82 2jrr s TYR 50 Ca 0.04 -0.65 -0.17 0.00 -0.37 0.00 0.00 57.07 55.92 2jrr s TYR 50 Cb -0.19 -3.61 -0.05 0.00 -0.40 0.00 0.00 41.96 37.71 2jrr s TYR 50 CO 0.08 -1.07 0.46 0.08 -1.57 0.00 0.00 175.55 173.53 2jrr s VAL 51 N 2.57 5.01 -0.19 0.71 1.01 0.34 -1.82 120.40 128.03 2jrr s VAL 51 Ca 0.13 0.94 -0.11 0.00 0.00 0.00 0.00 61.98 62.95 2jrr s VAL 51 Cb -0.21 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 2jrr s VAL 51 CO 0.10 0.51 0.18 -0.22 0.00 0.00 0.00 175.10 175.67 2jrr s LEU 52 N -0.63 4.22 0.44 3.92 2.96 0.00 -0.62 118.68 128.98 2jrr s LEU 52 Ca 0.25 0.31 -0.25 0.00 -0.22 0.00 0.00 54.13 54.22 2jrr s LEU 52 Cb -0.17 -2.17 -0.08 0.00 0.50 0.00 0.00 46.19 44.27 2jrr s LEU 52 CO 0.14 0.16 1.31 -0.75 -1.32 0.00 0.00 176.35 175.88 2jrr s LYS 53 N 0.39 3.75 0.00 1.98 2.20 -0.03 -3.15 119.74 124.89 2jrr s LYS 53 Ca 0.10 2.15 0.00 0.00 -0.36 0.00 0.00 55.97 57.86 2jrr s LYS 53 Cb -0.12 -2.60 0.00 0.00 -1.51 0.00 0.00 37.83 33.60 2jrr s LYS 53 CO -0.00 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 174.73 2jrr n GLY 54 N 0.63 2.88 3.96 5.54 0.00 -1.26 -4.97 105.19 111.98 2jrr n GLY 54 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 2jrr n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jrr s SER 55 N -2.75 3.24 0.50 1.61 1.04 -1.19 -4.78 113.70 111.38 2jrr s SER 55 Ca 0.00 -0.08 0.22 0.00 0.48 0.00 0.00 55.95 56.56 2jrr s SER 55 Cb 0.00 0.04 1.30 0.00 0.10 0.00 0.00 66.02 67.46 2jrr s SER 55 CO 0.00 -2.62 2.06 0.11 0.98 0.00 0.00 173.24 173.77 2jrr h LYS 56 N -1.39 0.00 0.00 4.02 1.57 -1.81 0.29 116.57 119.25 2jrr h LYS 56 Ca -0.41 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.30 2jrr h LYS 56 Cb 1.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 2jrr h LYS 56 CO 0.33 0.13 -0.36 0.00 -0.57 0.00 0.00 179.45 178.98 2jrr h ALA 57 N 1.87 1.16 0.00 3.86 0.00 -1.67 0.11 119.26 124.59 2jrr h ALA 57 Ca -0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2jrr h ALA 57 Cb 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2jrr h ALA 57 CO 0.02 0.44 -1.22 -3.47 0.00 0.00 0.00 179.25 175.02 2jrr n ASP 58 N -3.75 0.78 0.12 0.00 2.03 -0.28 -4.16 116.55 111.29 2jrr n ASP 58 Ca -0.01 0.32 0.07 0.00 0.52 0.00 0.00 54.79 55.69 2jrr n ASP 58 Cb 0.44 0.47 0.02 0.00 -0.72 0.00 0.00 41.12 41.33 2jrr n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jrr h ALA 59 N 1.81 0.66 -2.45 -1.67 0.00 -0.16 -3.45 119.26 114.00 2jrr h ALA 59 Ca -0.06 -0.28 -0.46 0.00 0.00 0.00 0.00 54.91 54.12 2jrr h ALA 59 Cb 1.20 0.06 0.13 0.00 0.00 0.00 0.00 17.79 19.18 2jrr h ALA 59 CO 0.01 0.32 0.30 -0.48 0.00 0.00 0.00 179.25 179.40 2jrr s LEU 60 N -5.80 1.98 0.00 0.00 0.05 -0.00 -4.18 118.68 110.72 2jrr s LEU 60 Ca 0.01 0.93 0.00 0.00 0.05 0.00 0.00 54.13 55.12 2jrr s LEU 60 Cb 0.08 -3.22 0.00 0.00 -2.05 0.00 0.00 46.19 41.00 2jrr s LEU 60 CO 0.76 -2.63 0.00 1.21 -0.55 0.00 0.00 176.35 175.14 2jrr n GLU 61 N -3.81 0.00 -1.95 1.48 4.07 -1.26 -4.78 120.64 114.39 2jrr n GLU 61 Ca 0.07 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.79 2jrr n GLU 61 Cb 0.59 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.94 2jrr n GLU 61 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2jrr s HIS 62 N 0.00 1.54 -0.21 4.31 2.46 -1.26 -4.91 115.29 117.23 2jrr s HIS 62 Ca 0.00 0.94 -0.34 0.00 0.47 0.00 0.00 55.06 56.13 2jrr s HIS 62 Cb 0.00 -3.99 -0.11 0.00 -0.13 0.00 0.00 32.58 28.35 2jrr s HIS 62 CO 0.00 -2.36 2.02 -2.39 -2.47 0.00 0.00 174.74 169.54 2jrr n HIS 63 N 13.36 2.03 0.27 3.88 1.44 -1.26 -4.80 115.22 130.13 2jrr n HIS 63 Ca 0.24 0.11 0.16 0.00 -2.01 0.00 0.00 57.72 56.21 2jrr n HIS 63 Cb 0.53 -2.62 0.82 0.00 0.12 0.00 0.00 29.99 28.84 2jrr n HIS 63 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2jrr h HIS 64 N 10.94 0.00 -2.06 -1.40 2.76 -1.91 -3.43 115.15 120.05 2jrr h HIS 64 Ca -0.41 0.00 -0.62 0.00 -2.20 0.00 0.00 60.37 57.15 2jrr h HIS 64 Cb 1.29 0.00 0.05 0.00 1.55 0.00 0.00 27.41 30.30 2jrr h HIS 64 CO 0.91 0.00 0.73 0.72 -1.30 0.00 0.00 177.93 178.99 2jrr n HIS 65 N -2.64 2.06 -1.36 5.26 8.25 -1.26 -3.90 115.22 121.64 2jrr n HIS 65 Ca -0.01 0.36 0.00 0.00 -0.26 0.00 0.00 57.72 57.80 2jrr n HIS 65 Cb 0.10 -2.49 0.00 0.00 1.12 0.00 0.00 29.99 28.72 2jrr n HIS 65 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jrr n HIS 66 N 3.52 0.00 -0.72 4.41 -0.00 -1.26 -5.22 115.22 115.95 2jrr n HIS 66 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.90 2jrr n HIS 66 Cb 0.26 -1.36 0.00 0.00 -0.00 0.00 0.00 29.99 28.89 2jrr n HIS 66 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92