#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 5.17 -2.00 2.03 -4.23 -1.26 -4.98 115.64 110.37 2jrr s THR 2 Ca 0.00 -0.59 0.02 0.00 -1.18 0.00 0.00 61.69 59.94 2jrr s THR 2 Cb 0.00 -3.84 0.06 0.00 1.34 0.00 0.00 72.50 70.06 2jrr s THR 2 CO 0.00 -0.42 0.85 2.30 -0.54 0.00 0.00 174.62 176.80 2jrr n ILE 3 N -1.47 0.00 -1.26 2.99 -5.35 -1.26 -4.86 119.36 108.16 2jrr n ILE 3 Ca -0.06 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.33 2jrr n ILE 3 Cb 0.56 -0.16 -0.04 0.00 -1.74 0.00 0.00 39.64 38.26 2jrr n ILE 3 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jrr n GLN 4 N -0.54 -1.23 -3.72 6.28 10.64 -1.26 -4.90 117.38 122.66 2jrr n GLN 4 Ca 0.01 0.55 -0.30 0.00 -1.83 0.00 0.00 57.00 55.44 2jrr n GLN 4 Cb 0.01 -4.71 -0.14 0.00 -0.86 0.00 0.00 30.24 24.53 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 -1.77 1.73 -0.21 2.61 0.00 -1.26 -5.00 121.76 117.86 2jrr s ALA 5 Ca 0.00 -2.00 0.01 0.00 0.00 0.00 0.00 51.96 49.97 2jrr s ALA 5 Cb 0.00 -1.72 0.24 0.00 0.00 0.00 0.00 23.12 21.65 2jrr s ALA 5 CO 0.00 -1.82 1.55 -0.35 0.00 0.00 0.00 175.76 175.14 2jrr n PRO 6 N 4.37 1.55 -1.90 0.00 -0.04 -1.26 -4.78 135.00 132.94 2jrr n PRO 6 Ca 0.02 -1.24 -0.43 0.00 -0.04 0.00 0.00 63.50 61.82 2jrr n PRO 6 Cb 0.39 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 2jrr n PRO 6 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2jrr s GLU 7 N -1.38 3.74 -0.34 0.54 2.12 -1.26 -4.92 118.70 117.20 2jrr s GLU 7 Ca 0.24 1.97 -0.16 0.00 0.36 0.00 0.00 54.97 57.38 2jrr s GLU 7 Cb 0.20 -4.13 -0.01 0.00 0.26 0.00 0.00 34.13 30.44 2jrr s GLU 7 CO 0.03 -1.38 0.40 0.95 -0.54 0.00 0.00 175.26 174.73 2jrr s THR 8 N 5.66 5.13 -0.54 -1.70 -4.23 -1.26 -2.07 115.64 116.62 2jrr s THR 8 Ca 0.81 0.16 -0.16 0.00 -1.18 0.00 0.00 61.69 61.32 2jrr s THR 8 Cb -0.31 -3.85 0.12 0.00 1.34 0.00 0.00 72.50 69.80 2jrr s THR 8 CO 0.33 -0.11 0.52 -0.54 -0.54 0.00 0.00 174.62 174.27 2jrr s LYS 9 N 2.12 3.00 -0.71 3.99 1.02 0.43 -4.90 119.74 124.69 2jrr s LYS 9 Ca 0.14 -1.63 -0.26 0.00 0.02 0.00 0.00 55.97 54.24 2jrr s LYS 9 Cb -0.16 -4.28 0.04 0.00 -0.52 0.00 0.00 37.83 32.91 2jrr s LYS 9 CO 0.12 -1.33 1.19 0.42 -0.92 0.00 0.00 175.35 174.83 2jrr s ILE 10 N 1.73 3.90 0.21 2.17 1.01 -1.25 -0.28 121.20 128.69 2jrr s ILE 10 Ca 0.04 0.24 0.07 0.00 0.00 0.00 0.00 60.65 61.00 2jrr s ILE 10 Cb -0.29 -4.84 -0.04 0.00 0.01 0.00 0.00 42.46 37.30 2jrr s ILE 10 CO 0.04 -1.71 0.10 0.68 0.00 0.00 0.00 174.94 174.05 2jrr s VAL 11 N 5.23 4.16 -0.35 2.92 -7.23 0.62 -4.78 120.40 120.97 2jrr s VAL 11 Ca 0.32 -1.37 0.09 0.00 -1.81 0.00 0.00 61.98 59.21 2jrr s VAL 11 Cb -0.10 -3.16 0.74 0.00 0.56 0.00 0.00 36.38 34.41 2jrr s VAL 11 CO 0.14 -0.21 1.83 -0.67 -0.31 0.00 0.00 175.10 175.88 2jrr n ASP 12 N -0.61 4.67 -3.75 4.85 2.03 -1.26 -0.31 116.55 122.17 2jrr n ASP 12 Ca -0.08 -3.28 -0.13 0.00 0.52 0.00 0.00 54.79 51.82 2jrr n ASP 12 Cb 0.56 -0.77 -0.14 0.00 -0.72 0.00 0.00 41.12 40.06 2jrr n ASP 12 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2jrr s LYS 13 N -3.02 0.12 0.21 -0.67 2.20 -1.26 -4.99 119.74 112.32 2jrr s LYS 13 Ca 0.55 0.37 0.13 0.00 -0.36 0.00 0.00 55.97 56.66 2jrr s LYS 13 Cb 0.45 -0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.59 2jrr s LYS 13 CO 0.13 -0.14 1.33 0.77 -0.36 0.00 0.00 175.35 177.08 2jrr h SER 14 N 7.04 0.00 -3.67 1.43 0.02 -1.94 -3.41 113.55 113.02 2jrr h SER 14 Ca -0.40 0.00 -0.78 0.00 -0.84 0.00 0.00 61.79 59.77 2jrr h SER 14 Cb 1.15 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.43 2jrr h SER 14 CO 0.41 0.67 0.00 -0.13 -1.14 0.00 0.00 176.83 176.65 2jrr s ARG 15 N -2.87 3.41 -0.26 3.45 0.52 -1.26 -1.16 118.95 120.78 2jrr s ARG 15 Ca 0.02 -2.29 -0.07 0.00 -0.52 0.00 0.00 55.73 52.87 2jrr s ARG 15 Cb 0.08 -4.36 -0.01 0.00 0.52 0.00 0.00 34.95 31.18 2jrr s ARG 15 CO 0.78 -1.29 0.05 0.08 0.02 0.00 0.00 175.30 174.94 2jrr s VAL 16 N 0.48 4.04 -0.68 3.52 1.01 -0.89 -4.93 120.40 122.95 2jrr s VAL 16 Ca 0.14 -0.37 -0.24 0.00 0.00 0.00 0.00 61.98 61.51 2jrr s VAL 16 Cb -0.15 -2.93 0.05 0.00 0.00 0.00 0.00 36.38 33.35 2jrr s VAL 16 CO -0.06 0.28 1.08 0.00 0.00 0.00 0.00 175.10 176.40 2jrr s ALA 17 N 1.56 2.98 -0.18 5.51 0.00 -1.26 -0.39 121.76 129.98 2jrr s ALA 17 Ca 0.05 -1.62 -0.29 0.00 0.00 0.00 0.00 51.96 50.11 2jrr s ALA 17 Cb -0.15 -4.00 -0.02 0.00 0.00 0.00 0.00 23.12 18.94 2jrr s ALA 17 CO 0.02 -2.93 1.48 0.00 0.00 0.00 0.00 175.76 174.32 2jrr n ASP 19 N 7.51 0.00 0.00 0.00 8.00 -1.26 -3.69 116.55 127.11 2jrr n ASP 19 Ca 0.16 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.78 2jrr n ASP 19 Cb 0.45 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 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 2.15 -0.89 0.00 0.44 0.00 -1.26 0.72 105.19 106.35 2jrr n GLY 20 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.23 3.77 -0.02 0.00 -1.19 -4.95 105.19 102.57 2jrr n GLY 21 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 1.96 0.20 1.61 2.02 -1.26 -4.88 118.70 118.35 2jrr s GLU 22 Ca 0.00 0.84 -0.20 0.00 0.02 0.00 0.00 54.97 55.63 2jrr s GLU 22 Cb 0.00 -1.89 0.16 0.00 0.10 0.00 0.00 34.13 32.50 2jrr s GLU 22 CO 0.00 -1.76 1.58 0.78 0.02 0.00 0.00 175.26 175.88 2jrr h GLY 23 N -1.20 -0.05 2.00 -1.39 0.00 -2.01 0.17 103.07 100.60 2jrr h GLY 23 Ca -0.47 0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2jrr h GLY 23 CO 0.56 -0.21 0.00 0.00 0.00 0.00 0.00 176.54 176.89 2jrr n ALA 24 N -3.25 2.16 -0.71 3.60 0.00 -1.26 -3.51 120.51 117.54 2jrr n ALA 24 Ca 0.06 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.49 2jrr n ALA 24 Cb 0.37 -1.41 0.37 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.56 5.27 -4.75 0.00 4.77 0.59 -4.95 117.00 116.38 2jrr n LEU 25 Ca 0.06 -2.67 -0.40 0.00 -0.03 0.00 0.00 56.01 52.97 2jrr n LEU 25 Cb 0.30 -0.66 -0.06 0.00 -2.33 0.00 0.00 43.42 40.68 2jrr n LEU 25 CO 0.24 0.63 0.65 -0.83 -1.33 0.00 0.00 177.39 176.75 2jrr s GLY 26 N -0.75 3.09 0.04 -0.72 0.00 -1.19 -3.17 107.32 104.63 2jrr s GLY 26 Ca 0.50 0.60 0.06 0.00 0.00 0.00 0.00 44.72 45.89 2jrr s GLY 26 CO 0.16 1.24 -0.18 0.30 0.00 0.00 0.00 173.10 174.63 2jrr s HIS 27 N -0.92 1.57 0.08 1.90 3.76 0.22 -4.95 115.29 116.95 2jrr s HIS 27 Ca 0.42 -0.36 -0.34 0.00 -0.15 0.00 0.00 55.06 54.62 2jrr s HIS 27 Cb -0.25 -0.93 -0.17 0.00 1.11 0.00 0.00 32.58 32.33 2jrr s HIS 27 CO 0.31 0.07 1.60 -1.35 -0.85 0.00 0.00 174.74 174.52 2jrr h PRO 28 N 4.88 -0.96 0.00 8.40 0.11 -1.88 -3.43 132.00 139.12 2jrr h PRO 28 Ca -0.41 0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2jrr h PRO 28 Cb 1.17 0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.50 2jrr h PRO 28 CO 0.44 -0.64 0.00 -2.13 -0.21 0.00 0.00 178.00 175.46 2jrr n ARG 29 N -5.54 0.00 -4.92 1.05 0.00 -1.26 -4.98 116.66 101.00 2jrr n ARG 29 Ca -0.13 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.44 2jrr n ARG 29 Cb 0.43 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.73 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 0.00 1.58 -0.23 5.15 1.01 -1.24 -5.03 120.40 121.63 2jrr s VAL 30 Ca 0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 2jrr s VAL 30 Cb 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 2jrr s VAL 30 CO 0.00 0.45 -0.00 0.26 0.00 0.00 0.00 175.10 175.81 2jrr s TRP 31 N 0.24 3.00 0.30 5.22 0.52 -1.26 0.29 118.94 127.25 2jrr s TRP 31 Ca -0.10 -0.77 0.06 0.00 0.02 0.00 0.00 56.10 55.31 2jrr s TRP 31 Cb -0.14 -2.15 -0.02 0.00 -1.15 0.00 0.00 33.47 30.01 2jrr s TRP 31 CO 0.04 -0.49 0.42 -0.51 0.02 0.00 0.00 176.95 176.44 2jrr s LEU 32 N 1.52 4.07 -0.16 2.99 1.02 0.47 -4.96 118.68 123.63 2jrr s LEU 32 Ca 0.06 -0.12 -0.01 0.00 0.02 0.00 0.00 54.13 54.08 2jrr s LEU 32 Cb -0.15 -2.76 0.05 0.00 0.02 0.00 0.00 46.19 43.35 2jrr s LEU 32 CO -0.01 -0.30 -0.02 -1.58 0.02 0.00 0.00 176.35 174.46 2jrr s GLN 33 N -4.10 1.12 -0.07 1.70 2.00 -1.26 -2.09 119.66 116.96 2jrr s GLN 33 Ca 0.41 -0.43 -0.30 0.00 -2.00 0.00 0.00 55.36 53.04 2jrr s GLN 33 Cb -0.09 -1.92 -0.04 0.00 0.80 0.00 0.00 33.01 31.75 2jrr s GLN 33 CO 0.30 -0.48 1.49 0.42 -0.50 0.00 0.00 175.29 176.52 2jrr s ILE 34 N 1.73 3.79 -0.01 -2.34 1.01 -0.31 -4.90 121.20 120.17 2jrr s ILE 34 Ca 0.00 1.01 -0.28 0.00 0.00 0.00 0.00 60.65 61.38 2jrr s ILE 34 Cb -0.16 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 2jrr s ILE 34 CO -0.07 -0.07 0.91 -2.16 0.00 0.00 0.00 174.94 173.55 2jrr s PRO 35 N 3.51 4.54 0.54 2.79 0.04 -1.26 -4.94 135.00 140.22 2jrr s PRO 35 Ca 0.66 1.29 0.37 0.00 0.04 0.00 0.00 61.00 63.36 2jrr s PRO 35 Cb -0.30 -3.45 1.99 0.00 0.04 0.00 0.00 34.50 32.78 2jrr s PRO 35 CO 0.25 -0.01 2.12 0.93 0.04 0.00 0.00 177.00 180.33 2jrr h GLU 36 N 6.72 0.00 -0.34 4.56 4.39 -1.95 0.52 114.58 128.48 2jrr h GLU 36 Ca -0.41 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.18 2jrr h GLU 36 Cb 1.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 2jrr h GLU 36 CO 0.75 0.00 -0.26 -0.44 -1.16 0.00 0.00 179.01 177.90 2jrr h ASP 37 N 0.00 0.69 0.00 1.42 3.32 -1.98 -3.38 116.42 116.49 2jrr h ASP 37 Ca 0.00 -0.25 -0.25 0.00 0.02 0.00 0.00 57.03 56.55 2jrr h ASP 37 Cb 0.00 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 2jrr h ASP 37 CO 0.00 0.92 -1.79 0.35 -1.72 0.00 0.00 179.24 177.00 2jrr n THR 38 N -4.10 0.93 0.00 0.35 -2.24 -0.89 -5.04 114.28 103.29 2jrr n THR 38 Ca -0.00 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2jrr n THR 38 Cb 0.44 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 66.92 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 2.01 0.69 3.33 3.38 0.00 0.12 -4.06 105.19 110.67 2jrr n GLY 39 Ca -0.30 0.00 -0.11 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 -0.23 -0.08 1.61 1.48 -1.26 -1.14 118.94 117.32 2jrr s TRP 40 Ca 0.00 -0.07 -0.03 0.00 -1.06 0.00 0.00 56.10 54.93 2jrr s TRP 40 Cb 0.00 0.29 0.04 0.00 -1.16 0.00 0.00 33.47 32.65 2jrr s TRP 40 CO 0.00 -0.72 0.17 0.54 -4.06 0.00 0.00 176.95 172.88 2jrr s VAL 41 N -3.80 -0.12 -0.01 -0.66 0.11 -0.09 -4.39 120.40 111.44 2jrr s VAL 41 Ca 0.03 0.22 -0.03 0.00 -2.93 0.00 0.00 61.98 59.28 2jrr s VAL 41 Cb 0.01 -0.29 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 2jrr s VAL 41 CO -0.12 0.09 0.18 -1.83 -3.33 0.00 0.00 175.10 170.09 2jrr s GLU 42 N 1.53 3.43 -0.27 1.54 4.04 -1.26 -0.15 118.70 127.55 2jrr s GLU 42 Ca -0.06 -0.33 -0.09 0.00 0.04 0.00 0.00 54.97 54.54 2jrr s GLU 42 Cb -0.12 -3.09 -0.03 0.00 0.02 0.00 0.00 34.13 30.91 2jrr s GLU 42 CO -0.06 0.67 0.12 0.00 -1.84 0.00 0.00 175.26 174.15 2jrr n PRO 44 N 4.98 0.09 -0.03 0.00 -0.04 -1.26 -2.00 135.00 136.73 2jrr n PRO 44 Ca -0.15 0.45 0.05 0.00 -0.04 0.00 0.00 63.50 63.81 2jrr n PRO 44 Cb 0.51 -1.72 0.26 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.91 0.09 -1.73 0.54 4.02 -1.26 -4.87 117.16 112.04 2jrr n TYR 45 Ca 0.01 -0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 2jrr n TYR 45 Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.44 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 1.63 2.55 -0.13 0.00 8.00 -1.21 -4.83 116.55 122.56 2jrr n ASP 47 Ca 0.00 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.62 2jrr n ASP 47 Cb 0.42 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 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 0.00 4.22 -0.49 0.00 2.20 -0.88 -1.13 119.74 123.66 2jrr s LYS 49 Ca 0.00 0.23 -0.17 0.00 -0.36 0.00 0.00 55.97 55.67 2jrr s LYS 49 Cb 0.00 -3.50 0.06 0.00 -1.51 0.00 0.00 37.83 32.88 2jrr s LYS 49 CO 0.00 0.03 0.52 0.71 -0.36 0.00 0.00 175.35 176.25 2jrr s TYR 50 N 1.08 3.14 -0.08 4.03 2.02 0.79 -0.43 117.35 127.90 2jrr s TYR 50 Ca 0.20 -0.71 -0.18 0.00 -0.37 0.00 0.00 57.07 56.01 2jrr s TYR 50 Cb -0.15 -3.35 -0.05 0.00 -0.40 0.00 0.00 41.96 38.02 2jrr s TYR 50 CO 0.08 -0.92 0.50 0.08 -1.57 0.00 0.00 175.55 173.72 2jrr s VAL 51 N 2.17 5.12 -0.41 0.71 1.01 0.61 -0.91 120.40 128.70 2jrr s VAL 51 Ca 0.10 1.01 -0.25 0.00 0.00 0.00 0.00 61.98 62.84 2jrr s VAL 51 Cb -0.21 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.35 2jrr s VAL 51 CO 0.10 0.37 0.89 -0.22 0.00 0.00 0.00 175.10 176.23 2jrr s LEU 52 N 0.30 4.04 0.34 3.92 2.96 -0.29 -0.28 118.68 129.67 2jrr s LEU 52 Ca 0.27 0.32 -0.29 0.00 -0.22 0.00 0.00 54.13 54.22 2jrr s LEU 52 Cb -0.16 -3.17 -0.12 0.00 0.50 0.00 0.00 46.19 43.24 2jrr s LEU 52 CO 0.12 -0.90 1.45 1.17 -1.32 0.00 0.00 176.35 176.87 2jrr n LYS 53 N 6.84 2.50 -3.13 1.98 0.00 0.57 -3.09 118.16 123.83 2jrr n LYS 53 Ca 0.06 0.88 -0.14 0.00 0.00 0.00 0.00 58.31 59.10 2jrr n LYS 53 Cb 0.48 -2.58 0.05 0.00 0.00 0.00 0.00 35.03 32.99 2jrr n LYS 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jrr n GLY 54 N 0.97 -0.01 0.00 3.14 0.00 -1.04 -4.86 105.19 103.38 2jrr n GLY 54 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.59 0.00 0.28 1.61 2.88 0.15 -4.98 113.62 111.97 2jrr n SER 55 Ca -0.04 -0.86 0.13 0.00 -1.33 0.00 0.00 58.87 56.78 2jrr n SER 55 Cb 0.55 0.00 0.83 0.00 -0.75 0.00 0.00 64.21 64.85 2jrr n SER 55 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2jrr h LYS 56 N 0.00 0.00 0.00 -1.46 1.57 -1.83 -2.05 116.57 112.79 2jrr h LYS 56 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jrr h LYS 56 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jrr h LYS 56 CO 0.00 0.03 -1.12 0.00 -0.57 0.00 0.00 179.45 177.79 2jrr n ALA 57 N -2.36 3.40 -3.62 3.86 0.00 -1.26 -4.87 120.51 115.66 2jrr n ALA 57 Ca -0.03 -0.42 -0.21 0.00 0.00 0.00 0.00 53.44 52.78 2jrr n ALA 57 Cb 0.11 -0.94 -0.16 0.00 0.00 0.00 0.00 19.45 18.46 2jrr n ALA 57 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jrr s ASP 58 N -3.98 1.46 0.20 0.00 2.15 -0.77 -4.96 116.67 110.77 2jrr s ASP 58 Ca 0.03 -0.13 0.00 0.00 0.43 0.00 0.00 52.55 52.88 2jrr s ASP 58 Cb 0.14 0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.79 2jrr s ASP 58 CO 0.82 -0.29 0.00 0.00 -0.17 0.00 0.00 175.17 175.52 2jrr n ALA 59 N 5.30 3.00 0.01 3.66 0.00 -1.26 -0.67 120.51 130.55 2jrr n ALA 59 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2jrr n ALA 59 Cb 0.50 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -3.39 0.15 0.00 0.00 4.77 -1.26 -4.93 117.00 112.34 2jrr n LEU 60 Ca 0.00 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2jrr n LEU 60 Cb 0.02 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2jrr n LEU 60 CO 0.00 -0.54 0.00 -0.62 -1.33 0.00 0.00 177.39 174.90 2jrr n GLU 61 N -2.65 0.00 -0.53 3.23 -0.58 -1.26 -1.73 120.64 117.12 2jrr n GLU 61 Ca 0.00 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.80 2jrr n GLU 61 Cb 0.00 0.00 0.27 0.00 -0.57 0.00 0.00 31.44 31.14 2jrr n GLU 61 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2jrr n HIS 62 N 3.46 1.25 -1.78 -0.32 8.25 -1.26 -4.92 115.22 119.89 2jrr n HIS 62 Ca 0.00 -0.46 -0.34 0.00 -0.26 0.00 0.00 57.72 56.66 2jrr n HIS 62 Cb 0.00 -0.27 -0.04 0.00 1.12 0.00 0.00 29.99 30.80 2jrr n HIS 62 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jrr s HIS 63 N -1.96 1.36 -0.19 4.41 5.04 -0.71 -4.94 115.29 118.30 2jrr s HIS 63 Ca 0.38 1.24 -0.06 0.00 -1.54 0.00 0.00 55.06 55.08 2jrr s HIS 63 Cb 0.26 -3.80 -0.03 0.00 0.04 0.00 0.00 32.58 29.05 2jrr s HIS 63 CO 0.15 -2.29 0.03 -3.38 -2.34 0.00 0.00 174.74 166.91 2jrr s HIS 64 N 11.12 3.13 -0.10 3.88 -3.43 -1.26 -4.99 115.29 123.64 2jrr s HIS 64 Ca 0.83 -0.19 0.00 0.00 -0.80 0.00 0.00 55.06 54.91 2jrr s HIS 64 Cb -0.14 -2.08 0.06 0.00 -1.43 0.00 0.00 32.58 28.99 2jrr s HIS 64 CO 0.20 -0.05 1.05 -2.39 -2.00 0.00 0.00 174.74 171.55 2jrr n HIS 65 N 3.91 0.27 -1.47 0.38 1.44 -1.26 -4.91 115.22 113.57 2jrr n HIS 65 Ca -0.17 -0.58 0.00 0.00 -2.01 0.00 0.00 57.72 54.96 2jrr n HIS 65 Cb 0.52 -0.30 0.00 0.00 0.12 0.00 0.00 29.99 30.33 2jrr n HIS 65 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2jrr n HIS 66 N 0.33 -3.43 1.76 -1.40 -0.00 -1.26 -5.37 115.22 105.85 2jrr n HIS 66 Ca 0.05 1.96 0.15 0.00 0.46 0.00 0.00 57.72 60.34 2jrr n HIS 66 Cb 0.59 -3.12 0.75 0.00 -0.12 0.00 0.00 29.99 28.08 2jrr n HIS 66 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41