#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrr s THR 2 N 0.00 1.29 -0.06 1.12 -4.23 -1.26 -5.03 115.64 107.47 2jrr s THR 2 Ca 0.00 -1.25 0.22 0.00 -1.18 0.00 0.00 61.69 59.48 2jrr s THR 2 Cb 0.00 -1.19 0.22 0.00 1.34 0.00 0.00 72.50 72.87 2jrr s THR 2 CO 0.00 -0.08 1.69 0.40 -0.54 0.00 0.00 174.62 176.08 2jrr h ILE 3 N 4.32 0.50 0.00 2.99 2.04 -2.12 -3.47 117.51 121.77 2jrr h ILE 3 Ca -0.41 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.07 2jrr h ILE 3 Cb 1.18 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 2jrr h ILE 3 CO 0.41 0.24 0.00 0.00 0.00 0.00 0.00 178.15 178.81 2jrr n GLN 4 N -3.26 0.00 -3.32 2.37 6.02 -1.26 -4.88 117.38 113.05 2jrr n GLN 4 Ca 0.01 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.72 2jrr n GLN 4 Cb 0.53 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.82 2jrr n GLN 4 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jrr n ALA 5 N 3.47 -2.54 -1.49 -1.58 0.00 -1.26 -4.75 120.51 112.36 2jrr n ALA 5 Ca 0.00 0.56 -0.29 0.00 0.00 0.00 0.00 53.44 53.71 2jrr n ALA 5 Cb 0.00 -2.63 -0.09 0.00 0.00 0.00 0.00 19.45 16.73 2jrr n ALA 5 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2jrr n PRO 6 N -0.37 0.80 -2.57 0.00 -0.02 -1.26 -4.36 135.00 127.22 2jrr n PRO 6 Ca -0.03 -1.87 -0.03 0.00 -2.02 0.00 0.00 63.50 59.55 2jrr n PRO 6 Cb 0.62 -3.47 -0.03 0.00 -0.02 0.00 0.00 33.50 30.60 2jrr n PRO 6 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2jrr n GLU 7 N 7.98 -4.02 -3.65 -0.52 0.00 -1.26 -0.79 120.64 118.38 2jrr n GLU 7 Ca 0.45 3.02 -0.37 0.00 0.00 0.00 0.00 57.16 60.26 2jrr n GLU 7 Cb 0.45 -4.09 -0.10 0.00 0.00 0.00 0.00 31.44 27.70 2jrr n GLU 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2jrr s THR 8 N -0.51 5.35 -0.26 6.31 2.01 -1.26 -0.38 115.64 126.90 2jrr s THR 8 Ca -0.16 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.04 2jrr s THR 8 Cb 0.01 -3.50 0.06 0.00 0.01 0.00 0.00 72.50 69.08 2jrr s THR 8 CO 0.43 0.34 -0.07 -0.54 -0.69 0.00 0.00 174.62 174.08 2jrr s LYS 9 N 1.12 1.90 -1.27 4.92 1.02 -0.51 -4.99 119.74 121.92 2jrr s LYS 9 Ca 0.07 -1.24 -0.17 0.00 0.02 0.00 0.00 55.97 54.66 2jrr s LYS 9 Cb -0.14 -2.77 0.10 0.00 -0.52 0.00 0.00 37.83 34.50 2jrr s LYS 9 CO 0.05 -0.62 1.65 -0.89 -0.92 0.00 0.00 175.35 174.63 2jrr n ILE 10 N 4.52 4.04 -3.50 2.17 5.41 -1.25 -0.24 119.36 130.51 2jrr n ILE 10 Ca -0.12 -4.29 -0.33 0.00 1.00 0.00 0.00 62.75 59.02 2jrr n ILE 10 Cb 0.43 -2.39 -0.05 0.00 -0.71 0.00 0.00 39.64 36.92 2jrr n ILE 10 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2jrr s VAL 11 N 3.39 5.01 -0.32 1.39 1.01 0.96 -4.38 120.40 127.45 2jrr s VAL 11 Ca 0.50 0.40 0.23 0.00 0.00 0.00 0.00 61.98 63.12 2jrr s VAL 11 Cb 0.02 -3.64 0.31 0.00 0.00 0.00 0.00 36.38 33.07 2jrr s VAL 11 CO 0.05 0.05 1.64 0.44 0.00 0.00 0.00 175.10 177.28 2jrr h ASP 12 N 2.90 0.00 -3.38 3.32 5.19 -1.85 0.35 116.42 122.95 2jrr h ASP 12 Ca -0.47 0.00 -0.66 0.00 -0.62 0.00 0.00 57.03 55.28 2jrr h ASP 12 Cb 1.17 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.56 2jrr h ASP 12 CO 0.69 0.07 -0.66 -1.59 -3.12 0.00 0.00 179.24 174.63 2jrr s LYS 13 N -3.25 2.57 -0.07 3.56 -2.85 -1.26 -4.74 119.74 113.71 2jrr s LYS 13 Ca 0.06 -0.80 -0.19 0.00 -1.00 0.00 0.00 55.97 54.04 2jrr s LYS 13 Cb 0.06 -2.55 -0.30 0.00 -2.06 0.00 0.00 37.83 32.98 2jrr s LYS 13 CO 0.66 0.56 0.77 0.66 0.10 0.00 0.00 175.35 178.10 2jrr h SER 14 N 3.68 0.45 -1.12 0.03 4.64 -1.90 -3.43 113.55 115.91 2jrr h SER 14 Ca -0.48 -0.91 -0.56 0.00 -0.47 0.00 0.00 61.79 59.37 2jrr h SER 14 Cb 1.17 -0.15 -0.09 0.00 -0.31 0.00 0.00 62.40 63.02 2jrr h SER 14 CO 0.59 1.50 1.38 -0.13 -0.87 0.00 0.00 176.83 179.29 2jrr s ARG 15 N -2.46 3.43 -0.22 4.77 0.52 -1.25 -2.46 118.95 121.28 2jrr s ARG 15 Ca -0.16 -0.96 -0.05 0.00 -0.52 0.00 0.00 55.73 54.05 2jrr s ARG 15 Cb 0.02 -5.26 -0.01 0.00 0.52 0.00 0.00 34.95 30.22 2jrr s ARG 15 CO 0.81 -2.36 -0.02 0.08 0.02 0.00 0.00 175.30 173.83 2jrr s VAL 16 N 5.71 3.60 0.28 3.52 1.01 -0.09 -4.92 120.40 129.51 2jrr s VAL 16 Ca 0.49 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.06 2jrr s VAL 16 Cb -0.01 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 2jrr s VAL 16 CO -0.07 0.41 0.47 0.00 0.00 0.00 0.00 175.10 175.90 2jrr s ALA 17 N 1.44 3.78 -0.12 5.51 0.00 -1.26 -0.89 121.76 130.21 2jrr s ALA 17 Ca 0.05 -0.94 -0.12 0.00 0.00 0.00 0.00 51.96 50.95 2jrr s ALA 17 Cb -0.14 -2.01 0.03 0.00 0.00 0.00 0.00 23.12 21.00 2jrr s ALA 17 CO -0.01 0.17 0.34 0.00 0.00 0.00 0.00 175.76 176.25 2jrr n ASP 19 N 2.75 1.87 0.00 0.00 5.75 -1.26 -0.97 116.55 124.69 2jrr n ASP 19 Ca -0.14 0.50 0.00 0.00 -0.01 0.00 0.00 54.79 55.14 2jrr n ASP 19 Cb 0.57 -0.82 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 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 1.54 -0.55 0.00 6.12 0.00 -1.26 0.86 105.19 111.90 2jrr n GLY 20 Ca -0.11 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.50 3.78 -0.02 0.00 -1.20 -4.97 105.19 103.28 2jrr n GLY 21 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 0.03 2.82 0.28 1.61 0.41 -1.26 -4.82 118.70 117.75 2jrr s GLU 22 Ca 0.00 1.25 -0.02 0.00 -0.41 0.00 0.00 54.97 55.80 2jrr s GLU 22 Cb 0.00 -1.96 0.62 0.00 -1.78 0.00 0.00 34.13 31.00 2jrr s GLU 22 CO 0.00 -1.22 1.62 0.78 -0.49 0.00 0.00 175.26 175.95 2jrr h GLY 23 N -0.21 1.13 2.00 -1.39 0.00 -1.99 0.43 103.07 103.04 2jrr h GLY 23 Ca -0.46 0.07 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 2jrr h GLY 23 CO 0.55 -0.38 -0.29 0.00 0.00 0.00 0.00 176.54 176.42 2jrr h ALA 24 N 1.81 0.93 -0.42 3.60 0.00 -2.05 -3.16 119.26 119.96 2jrr h ALA 24 Ca 0.51 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2jrr h ALA 24 Cb 0.99 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2jrr h ALA 24 CO -0.73 0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.16 2jrr n LEU 25 N -3.34 3.82 -4.57 0.00 4.77 0.14 -4.87 117.00 112.95 2jrr n LEU 25 Ca 0.01 -1.93 -0.42 0.00 -0.03 0.00 0.00 56.01 53.64 2jrr n LEU 25 Cb 0.52 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2jrr n LEU 25 CO 0.35 0.55 1.19 -0.83 -1.33 0.00 0.00 177.39 177.32 2jrr s GLY 26 N -0.65 0.96 0.42 -0.72 0.00 -0.81 -3.27 107.32 103.26 2jrr s GLY 26 Ca 0.36 -0.85 -0.22 0.00 0.00 0.00 0.00 44.72 44.01 2jrr s GLY 26 CO 0.14 2.69 0.98 0.30 0.00 0.00 0.00 173.10 177.21 2jrr s HIS 27 N 5.70 3.30 0.00 1.90 3.76 0.25 -4.93 115.29 125.26 2jrr s HIS 27 Ca 0.46 1.63 -0.03 0.00 -0.15 0.00 0.00 55.06 56.97 2jrr s HIS 27 Cb -0.09 -2.94 -0.15 0.00 1.11 0.00 0.00 32.58 30.51 2jrr s HIS 27 CO 0.23 -0.27 2.31 -2.30 -0.85 0.00 0.00 174.74 173.86 2jrr n PRO 28 N -0.46 1.17 -2.46 8.40 -0.02 -1.26 -4.61 135.00 135.76 2jrr n PRO 28 Ca 0.06 -0.56 -0.00 0.00 -2.02 0.00 0.00 63.50 60.98 2jrr n PRO 28 Cb 0.53 -1.76 -0.00 0.00 -0.02 0.00 0.00 33.50 32.24 2jrr n PRO 28 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2jrr n ARG 29 N 2.63 -2.87 -3.58 -0.52 3.00 -1.26 -5.01 116.66 109.06 2jrr n ARG 29 Ca 0.24 2.38 -0.37 0.00 -0.00 0.00 0.00 57.85 60.10 2jrr n ARG 29 Cb 0.54 -4.49 -0.09 0.00 0.00 0.00 0.00 32.46 28.42 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 -1.25 5.31 -0.34 5.15 -7.23 -0.14 -4.93 120.40 116.97 2jrr s VAL 30 Ca -0.02 0.33 -0.10 0.00 -1.81 0.00 0.00 61.98 60.39 2jrr s VAL 30 Cb 0.00 -3.57 0.01 0.00 0.56 0.00 0.00 36.38 33.38 2jrr s VAL 30 CO 0.63 0.31 0.17 0.26 -0.31 0.00 0.00 175.10 176.16 2jrr s TRP 31 N 1.18 3.21 -0.21 2.82 0.52 -1.26 -0.54 118.94 124.66 2jrr s TRP 31 Ca 0.11 -0.80 -0.11 0.00 0.02 0.00 0.00 56.10 55.32 2jrr s TRP 31 Cb -0.14 -2.39 -0.05 0.00 -1.15 0.00 0.00 33.47 29.74 2jrr s TRP 31 CO 0.06 -0.56 0.19 -0.51 0.02 0.00 0.00 176.95 176.15 2jrr s LEU 32 N 1.57 4.18 -0.40 2.99 1.02 -0.07 -4.95 118.68 123.02 2jrr s LEU 32 Ca 0.03 0.26 -0.11 0.00 0.02 0.00 0.00 54.13 54.33 2jrr s LEU 32 Cb -0.18 -2.18 0.04 0.00 0.02 0.00 0.00 46.19 43.89 2jrr s LEU 32 CO 0.06 0.11 0.25 -1.58 0.02 0.00 0.00 176.35 175.20 2jrr s GLN 33 N 0.69 2.80 -0.04 1.70 2.00 -1.26 -0.92 119.66 124.63 2jrr s GLN 33 Ca 0.10 -1.19 -0.30 0.00 -2.00 0.00 0.00 55.36 51.97 2jrr s GLN 33 Cb -0.12 -3.81 -0.06 0.00 0.80 0.00 0.00 33.01 29.82 2jrr s GLN 33 CO 0.02 -0.80 1.60 0.42 -0.50 0.00 0.00 175.29 176.03 2jrr s ILE 34 N 1.54 3.57 -0.60 -2.34 1.01 -1.03 -4.94 121.20 118.41 2jrr s ILE 34 Ca 0.03 0.77 -0.28 0.00 0.00 0.00 0.00 60.65 61.17 2jrr s ILE 34 Cb -0.21 -3.50 0.02 0.00 0.01 0.00 0.00 42.46 38.78 2jrr s ILE 34 CO 0.06 -0.05 1.41 -2.16 0.00 0.00 0.00 174.94 174.20 2jrr s PRO 35 N 3.60 3.24 0.58 2.79 0.04 -1.26 -4.87 135.00 139.12 2jrr s PRO 35 Ca 0.71 0.31 0.30 0.00 0.04 0.00 0.00 61.00 62.36 2jrr s PRO 35 Cb -0.33 -4.15 1.39 0.00 0.04 0.00 0.00 34.50 31.44 2jrr s PRO 35 CO 0.29 -2.03 1.75 1.05 0.04 0.00 0.00 177.00 178.10 2jrr h GLU 36 N 11.07 0.00 -0.66 4.56 9.09 -1.92 0.79 114.58 137.51 2jrr h GLU 36 Ca -0.27 0.00 0.13 0.00 0.05 0.00 0.00 59.36 59.27 2jrr h GLU 36 Cb 1.09 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 28.09 2jrr h GLU 36 CO 1.20 0.00 0.17 0.22 0.05 0.00 0.00 179.01 180.65 2jrr h ASP 37 N 0.00 0.05 0.00 3.06 3.58 -1.98 -3.26 116.42 117.86 2jrr h ASP 37 Ca 0.35 0.12 -0.29 0.00 0.42 0.00 0.00 57.03 57.64 2jrr h ASP 37 Cb 1.80 0.15 -0.05 0.00 1.72 0.00 0.00 39.33 42.95 2jrr h ASP 37 CO -0.00 0.02 -2.08 1.07 -2.88 0.00 0.00 179.24 175.36 2jrr n THR 38 N -5.11 1.09 0.00 2.25 5.66 -0.10 -5.04 114.28 113.02 2jrr n THR 38 Ca 0.11 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.52 2jrr n THR 38 Cb 0.37 -0.77 0.00 0.00 -1.55 0.00 0.00 70.33 68.38 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 2.19 0.73 3.49 1.09 0.00 0.08 -4.38 105.19 108.40 2jrr n GLY 39 Ca -0.28 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.22 0.19 1.61 1.48 -1.26 -0.39 118.94 118.35 2jrr s TRP 40 Ca 0.00 -0.10 -0.12 0.00 -1.06 0.00 0.00 56.10 54.82 2jrr s TRP 40 Cb 0.00 0.43 0.00 0.00 -1.16 0.00 0.00 33.47 32.74 2jrr s TRP 40 CO 0.00 -0.89 0.37 0.54 -4.06 0.00 0.00 176.95 172.91 2jrr s VAL 41 N -3.84 0.04 0.02 -0.66 0.11 0.23 -4.18 120.40 112.11 2jrr s VAL 41 Ca 0.07 -1.24 -0.04 0.00 -2.93 0.00 0.00 61.98 57.84 2jrr s VAL 41 Cb -0.01 -1.84 -0.01 0.00 -1.53 0.00 0.00 36.38 32.99 2jrr s VAL 41 CO -0.05 -0.20 0.06 -1.83 -3.33 0.00 0.00 175.10 169.75 2jrr s GLU 42 N -3.95 0.43 0.34 1.54 -1.05 -1.26 0.07 118.70 114.82 2jrr s GLU 42 Ca 0.16 -0.55 -0.28 0.00 -0.15 0.00 0.00 54.97 54.16 2jrr s GLU 42 Cb 0.02 0.17 -0.09 0.00 -0.44 0.00 0.00 34.13 33.78 2jrr s GLU 42 CO 0.01 -0.09 1.21 0.00 0.95 0.00 0.00 175.26 177.33 2jrr h PRO 44 N 3.24 0.00 0.00 0.00 0.11 -2.01 -3.40 132.00 129.93 2jrr h PRO 44 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jrr h PRO 44 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2jrr h PRO 44 CO 0.65 0.30 0.00 0.66 -0.21 0.00 0.00 178.00 179.40 2jrr n TYR 45 N -3.88 0.00 -1.53 0.65 4.01 -1.26 -5.03 117.16 110.12 2jrr n TYR 45 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2jrr n TYR 45 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 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 0.00 0.00 -3.72 0.00 9.92 -1.26 -5.04 116.55 116.45 2jrr n ASP 47 Ca 0.00 0.38 -0.06 0.00 -0.53 0.00 0.00 54.79 54.57 2jrr n ASP 47 Cb 0.30 -0.04 -0.01 0.00 -0.64 0.00 0.00 41.12 40.72 2jrr n ASP 47 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jrr s LYS 49 N -3.55 3.44 -0.29 0.00 2.20 0.48 -1.47 119.74 120.55 2jrr s LYS 49 Ca 0.12 -0.59 -0.06 0.00 -0.36 0.00 0.00 55.97 55.08 2jrr s LYS 49 Cb -0.05 -3.07 0.01 0.00 -1.51 0.00 0.00 37.83 33.21 2jrr s LYS 49 CO 0.06 -0.18 0.07 0.71 -0.36 0.00 0.00 175.35 175.65 2jrr s TYR 50 N 1.48 3.13 -0.08 4.03 2.02 0.11 -1.42 117.35 126.62 2jrr s TYR 50 Ca 0.06 -0.97 -0.12 0.00 -0.37 0.00 0.00 57.07 55.67 2jrr s TYR 50 Cb -0.14 -2.24 -0.05 0.00 -0.40 0.00 0.00 41.96 39.13 2jrr s TYR 50 CO -0.02 -0.57 0.28 0.08 -1.57 0.00 0.00 175.55 173.76 2jrr s VAL 51 N 1.50 5.26 -0.59 0.71 1.01 0.67 -0.60 120.40 128.36 2jrr s VAL 51 Ca 0.03 0.54 -0.25 0.00 0.00 0.00 0.00 61.98 62.30 2jrr s VAL 51 Cb -0.17 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.67 2jrr s VAL 51 CO 0.02 0.55 1.04 -0.22 0.00 0.00 0.00 175.10 176.49 2jrr s LEU 52 N -0.74 3.88 0.16 3.92 2.96 0.47 -0.03 118.68 129.30 2jrr s LEU 52 Ca 0.19 -0.31 -0.31 0.00 -0.22 0.00 0.00 54.13 53.48 2jrr s LEU 52 Cb -0.14 -2.85 -0.10 0.00 0.50 0.00 0.00 46.19 43.60 2jrr s LEU 52 CO 0.08 -1.37 1.69 -0.75 -1.32 0.00 0.00 176.35 174.68 2jrr s LYS 53 N 4.37 4.17 0.00 1.98 2.20 0.12 -1.88 119.74 130.71 2jrr s LYS 53 Ca 0.33 2.49 0.00 0.00 -0.36 0.00 0.00 55.97 58.43 2jrr s LYS 53 Cb -0.11 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 2jrr s LYS 53 CO 0.19 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 2jrr n GLY 54 N 3.97 0.85 2.26 5.54 0.00 -1.26 -4.62 105.19 111.92 2jrr n GLY 54 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 2jrr n GLY 54 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jrr n SER 55 N 0.00 0.96 0.33 1.61 2.88 -0.79 -4.92 113.62 113.69 2jrr n SER 55 Ca 0.00 -1.75 0.22 0.00 -1.33 0.00 0.00 58.87 56.00 2jrr n SER 55 Cb 0.00 -0.32 1.11 0.00 -0.75 0.00 0.00 64.21 64.24 2jrr n SER 55 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2jrr h LYS 56 N 0.00 0.00 0.00 -1.46 2.10 -1.87 -0.00 116.57 115.34 2jrr h LYS 56 Ca -0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 2jrr h LYS 56 Cb 0.71 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 2jrr h LYS 56 CO 0.21 0.00 -0.12 0.00 -2.00 0.00 0.00 179.45 177.54 2jrr n ALA 57 N -2.08 2.59 -1.84 0.07 0.00 -1.26 -4.56 120.51 113.42 2jrr n ALA 57 Ca -0.02 -0.15 -0.38 0.00 0.00 0.00 0.00 53.44 52.89 2jrr n ALA 57 Cb 0.12 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.14 2jrr n ALA 57 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jrr n ASP 58 N -1.62 3.40 -0.17 0.00 -0.08 -0.02 -4.22 116.55 113.84 2jrr n ASP 58 Ca 0.06 -2.76 0.00 0.00 -1.51 0.00 0.00 54.79 50.59 2jrr n ASP 58 Cb 0.35 -1.54 0.00 0.00 2.34 0.00 0.00 41.12 42.28 2jrr n ASP 58 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jrr n ALA 59 N 9.86 1.35 -1.54 -1.67 0.00 -1.26 -4.92 120.51 122.33 2jrr n ALA 59 Ca 0.48 -0.69 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 2jrr n ALA 59 Cb 0.43 -0.17 -0.02 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.01 5.88 -3.40 0.00 7.99 -1.26 -4.72 117.00 121.48 2jrr n LEU 60 Ca 0.00 -3.71 -0.26 0.00 -0.01 0.00 0.00 56.01 52.04 2jrr n LEU 60 Cb 0.56 -1.47 -0.10 0.00 -0.11 0.00 0.00 43.42 42.30 2jrr n LEU 60 CO 0.00 0.58 -0.28 -1.83 -1.51 0.00 0.00 177.39 174.35 2jrr s GLU 61 N 3.84 0.70 0.18 3.23 -1.05 -1.26 -4.72 118.70 119.62 2jrr s GLU 61 Ca 0.51 -1.52 0.26 0.00 -0.15 0.00 0.00 54.97 54.06 2jrr s GLU 61 Cb 0.14 -1.21 0.90 0.00 -0.44 0.00 0.00 34.13 33.52 2jrr s GLU 61 CO -0.02 -1.27 1.78 -2.39 0.95 0.00 0.00 175.26 174.31 2jrr n HIS 62 N 3.62 0.74 0.00 4.83 1.44 -1.26 -4.73 115.22 119.86 2jrr n HIS 62 Ca 0.18 0.23 0.00 0.00 -2.01 0.00 0.00 57.72 56.12 2jrr n HIS 62 Cb 0.42 -0.87 0.00 0.00 0.12 0.00 0.00 29.99 29.66 2jrr n HIS 62 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2jrr n HIS 63 N -2.12 -0.64 -3.99 -1.40 -0.00 -1.26 -5.11 115.22 100.69 2jrr n HIS 63 Ca 0.05 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.88 2jrr n HIS 63 Cb 0.38 0.13 -0.12 0.00 -0.12 0.00 0.00 29.99 30.25 2jrr n HIS 63 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jrr s HIS 64 N -1.58 3.09 -0.35 1.57 3.76 -1.26 -5.09 115.29 115.43 2jrr s HIS 64 Ca 0.00 -0.33 -0.14 0.00 -0.15 0.00 0.00 55.06 54.44 2jrr s HIS 64 Cb 0.00 -2.12 -0.01 0.00 1.11 0.00 0.00 32.58 31.56 2jrr s HIS 64 CO 0.00 -0.19 0.28 -1.58 -0.85 0.00 0.00 174.74 172.41 2jrr s HIS 65 N 1.02 3.22 0.37 1.40 2.46 -1.26 -4.57 115.29 117.92 2jrr s HIS 65 Ca 0.03 -0.21 -0.09 0.00 0.47 0.00 0.00 55.06 55.25 2jrr s HIS 65 Cb -0.14 -2.55 0.03 0.00 -0.13 0.00 0.00 32.58 29.79 2jrr s HIS 65 CO 0.02 -0.41 0.64 -3.38 -2.47 0.00 0.00 174.74 169.14 2jrr s HIS 66 N 1.80 0.59 -2.00 3.88 -3.43 -1.26 -5.13 115.29 109.73 2jrr s HIS 66 Ca 0.07 -1.05 0.14 0.00 -0.80 0.00 0.00 55.06 53.43 2jrr s HIS 66 Cb -0.17 0.38 0.81 0.00 -1.43 0.00 0.00 32.58 32.17 2jrr s HIS 66 CO 0.11 -1.36 1.24 1.58 -2.00 0.00 0.00 174.74 174.30