#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 0.46 -0.31 2.03 -1.04 -1.26 -4.74 114.28 109.42 2jrr n THR 2 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2jrr n THR 2 Cb 0.00 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 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 0.28 0.00 -1.72 12.58 2.08 -1.26 -3.36 119.36 127.96 2jrr n ILE 3 Ca 0.00 0.00 -0.19 0.00 0.56 0.00 0.00 62.75 63.12 2jrr n ILE 3 Cb 0.35 -0.16 -0.06 0.00 -0.75 0.00 0.00 39.64 39.01 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 -2.00 -1.50 -3.50 0.38 3.00 -1.26 -4.93 117.38 107.57 2jrr n GLN 4 Ca 0.00 1.06 -0.29 0.00 -0.01 0.00 0.00 57.00 57.76 2jrr n GLN 4 Cb 0.00 -5.46 -0.12 0.00 0.00 0.00 0.00 30.24 24.66 2jrr n GLN 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jrr s ALA 5 N -2.65 1.21 -0.66 -1.58 0.00 -1.21 -5.07 121.76 111.79 2jrr s ALA 5 Ca 0.00 -2.06 -0.26 0.00 0.00 0.00 0.00 51.96 49.64 2jrr s ALA 5 Cb 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 2jrr s ALA 5 CO 0.00 -2.09 1.99 -2.14 0.00 0.00 0.00 175.76 173.53 2jrr s PRO 6 N 0.82 2.47 -0.13 0.00 0.02 -1.26 -4.84 135.00 132.07 2jrr s PRO 6 Ca 0.20 0.53 -0.06 0.00 0.02 0.00 0.00 61.00 61.69 2jrr s PRO 6 Cb -0.20 -4.58 -0.03 0.00 0.02 0.00 0.00 34.50 29.70 2jrr s PRO 6 CO -0.02 -3.05 0.39 -1.91 -0.33 0.00 0.00 177.00 172.08 2jrr n GLU 7 N 9.07 0.00 -4.10 5.54 0.00 -1.26 -4.40 120.64 125.49 2jrr n GLU 7 Ca 0.29 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 57.12 2jrr n GLU 7 Cb 0.51 -0.23 -0.07 0.00 0.00 0.00 0.00 31.44 31.64 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 1.23 4.70 -0.18 6.31 2.01 -1.26 -0.65 115.64 127.81 2jrr s THR 8 Ca 0.20 -0.44 -0.01 0.00 0.31 0.00 0.00 61.69 61.76 2jrr s THR 8 Cb -0.21 -3.16 0.05 0.00 0.01 0.00 0.00 72.50 69.19 2jrr s THR 8 CO 0.09 0.33 -0.04 -0.54 -0.69 0.00 0.00 174.62 173.77 2jrr s LYS 9 N -1.78 1.39 -0.84 4.92 1.02 0.22 -4.90 119.74 119.77 2jrr s LYS 9 Ca 0.23 -0.56 -0.23 0.00 0.02 0.00 0.00 55.97 55.43 2jrr s LYS 9 Cb -0.12 -2.08 0.07 0.00 -0.52 0.00 0.00 37.83 35.18 2jrr s LYS 9 CO 0.14 -0.47 1.19 0.42 -0.92 0.00 0.00 175.35 175.72 2jrr s ILE 10 N 1.62 4.20 0.06 2.17 1.01 -1.26 -0.41 121.20 128.60 2jrr s ILE 10 Ca -0.00 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.05 2jrr s ILE 10 Cb -0.16 -4.85 -0.04 0.00 0.01 0.00 0.00 42.46 37.42 2jrr s ILE 10 CO -0.07 -1.67 0.09 0.68 0.00 0.00 0.00 174.94 173.96 2jrr s VAL 11 N 4.28 4.64 -0.22 2.92 -7.23 0.44 -4.69 120.40 120.55 2jrr s VAL 11 Ca 0.33 -0.66 0.28 0.00 -1.81 0.00 0.00 61.98 60.12 2jrr s VAL 11 Cb -0.08 -3.22 0.36 0.00 0.56 0.00 0.00 36.38 34.01 2jrr s VAL 11 CO 0.01 0.17 1.78 0.44 -0.31 0.00 0.00 175.10 177.19 2jrr h ASP 12 N 3.43 0.00 -3.73 4.85 5.19 -1.88 0.17 116.42 124.45 2jrr h ASP 12 Ca -0.47 0.00 -0.68 0.00 -0.62 0.00 0.00 57.03 55.26 2jrr h ASP 12 Cb 1.17 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 40.49 2jrr h ASP 12 CO 0.66 0.00 -0.73 -1.59 -3.12 0.00 0.00 179.24 174.46 2jrr s LYS 13 N -3.40 2.51 0.05 3.56 -2.85 -1.26 -4.73 119.74 113.62 2jrr s LYS 13 Ca 0.05 -0.73 -0.12 0.00 -1.00 0.00 0.00 55.97 54.17 2jrr s LYS 13 Cb 0.07 -2.45 -0.31 0.00 -2.06 0.00 0.00 37.83 33.08 2jrr s LYS 13 CO 0.61 0.61 1.08 0.66 0.10 0.00 0.00 175.35 178.41 2jrr h SER 14 N 4.76 0.75 -3.29 0.03 4.64 -1.88 -3.45 113.55 115.12 2jrr h SER 14 Ca -0.48 -0.75 -0.55 0.00 -0.47 0.00 0.00 61.79 59.54 2jrr h SER 14 Cb 1.16 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.99 2jrr h SER 14 CO 0.52 1.58 0.51 -0.13 -0.87 0.00 0.00 176.83 178.44 2jrr s ARG 15 N -2.77 4.47 -0.07 4.77 1.81 -1.26 -2.19 118.95 123.72 2jrr s ARG 15 Ca -0.08 1.49 -0.03 0.00 -1.72 0.00 0.00 55.73 55.39 2jrr s ARG 15 Cb 0.05 -3.49 0.04 0.00 -0.45 0.00 0.00 34.95 31.11 2jrr s ARG 15 CO 0.93 -0.22 0.15 0.08 -0.68 0.00 0.00 175.30 175.55 2jrr s VAL 16 N 1.54 -0.17 -0.41 3.52 1.01 -0.98 -4.96 120.40 119.96 2jrr s VAL 16 Ca 0.52 0.29 -0.29 0.00 0.00 0.00 0.00 61.98 62.50 2jrr s VAL 16 Cb -0.22 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 35.92 2jrr s VAL 16 CO 0.24 0.12 1.20 0.00 0.00 0.00 0.00 175.10 176.65 2jrr s ALA 17 N 1.82 3.24 -0.30 5.51 0.00 -1.26 -0.20 121.76 130.57 2jrr s ALA 17 Ca -0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 51.96 51.69 2jrr s ALA 17 Cb -0.12 -3.84 0.14 0.00 0.00 0.00 0.00 23.12 19.30 2jrr s ALA 17 CO -0.06 -2.05 0.30 0.00 0.00 0.00 0.00 175.76 173.95 2jrr n ASP 19 N 5.17 -0.05 0.00 0.00 2.03 -1.26 -4.88 116.55 117.56 2jrr n ASP 19 Ca -0.00 -2.97 0.00 0.00 0.52 0.00 0.00 54.79 52.34 2jrr n ASP 19 Cb 0.46 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 2jrr n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jrr n GLY 20 N 0.87 -1.83 0.28 0.27 0.00 -1.26 -0.37 105.19 103.15 2jrr n GLY 20 Ca 0.20 -1.24 -0.06 0.00 0.00 0.00 0.00 46.02 44.92 2jrr n GLY 20 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jrr h GLY 21 N 0.00 1.00 -1.50 -0.02 0.00 -0.84 -2.53 103.07 99.18 2jrr h GLY 21 Ca 0.00 -0.47 0.09 0.00 0.00 0.00 0.00 47.33 46.96 2jrr h GLY 21 CO 0.00 0.45 0.44 -0.54 0.00 0.00 0.00 176.54 176.89 2jrr s GLU 22 N -5.80 1.66 0.22 4.80 0.41 -1.05 -4.45 118.70 114.49 2jrr s GLU 22 Ca -0.13 -1.04 -0.13 0.00 -0.41 0.00 0.00 54.97 53.25 2jrr s GLU 22 Cb 0.14 0.48 0.27 0.00 -1.78 0.00 0.00 34.13 33.23 2jrr s GLU 22 CO 0.79 -0.77 1.60 0.78 -0.49 0.00 0.00 175.26 177.17 2jrr h GLY 23 N 2.00 0.42 0.76 -1.39 0.00 -1.91 0.11 103.07 103.06 2jrr h GLY 23 Ca -0.28 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2jrr h GLY 23 CO 0.36 -0.27 -0.04 0.00 0.00 0.00 0.00 176.54 176.59 2jrr n ALA 24 N -3.21 2.67 -2.82 3.60 0.00 -1.26 -3.88 120.51 115.61 2jrr n ALA 24 Ca 0.09 -0.26 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 2jrr n ALA 24 Cb 0.37 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 2jrr n ALA 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jrr n LEU 25 N -0.80 3.58 0.00 0.00 0.00 0.35 -5.06 117.00 115.07 2jrr n LEU 25 Ca 0.19 -5.22 0.00 0.00 0.00 0.00 0.00 56.01 50.98 2jrr n LEU 25 Cb 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 43.42 43.44 2jrr n LEU 25 CO 0.20 2.22 0.00 0.61 0.00 0.00 0.00 177.39 180.43 2jrr n GLY 26 N -0.20 0.15 2.90 -3.96 0.00 -1.03 -0.17 105.19 102.88 2jrr n GLY 26 Ca 0.30 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.50 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 0.09 -1.88 0.37 1.61 8.25 0.50 -4.78 115.22 119.38 2jrr n HIS 27 Ca 0.00 0.70 -0.18 0.00 -0.26 0.00 0.00 57.72 57.98 2jrr n HIS 27 Cb 0.00 -4.01 -0.09 0.00 1.12 0.00 0.00 29.99 27.01 2jrr n HIS 27 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2jrr h PRO 28 N -1.07 -0.98 0.00 -0.41 0.13 -1.94 -3.45 132.00 124.28 2jrr h PRO 28 Ca -0.48 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2jrr h PRO 28 Cb 1.25 0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.61 2jrr h PRO 28 CO 0.36 -0.65 0.00 -2.13 -0.23 0.00 0.00 178.00 175.35 2jrr n ARG 29 N -5.55 0.00 -3.71 0.86 3.00 -1.26 -5.15 116.66 104.86 2jrr n ARG 29 Ca -0.13 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.49 2jrr n ARG 29 Cb 0.43 0.00 -0.18 0.00 0.00 0.00 0.00 32.46 32.72 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 0.14 -0.25 5.15 1.01 -1.26 -5.09 120.40 120.09 2jrr s VAL 30 Ca 0.00 0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.05 2jrr s VAL 30 Cb 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 2jrr s VAL 30 CO 0.00 0.11 0.08 0.26 0.00 0.00 0.00 175.10 175.55 2jrr s TRP 31 N 2.06 3.10 0.45 5.22 0.52 -1.26 -1.46 118.94 127.57 2jrr s TRP 31 Ca 0.04 -0.38 -0.18 0.00 0.02 0.00 0.00 56.10 55.60 2jrr s TRP 31 Cb -0.13 -2.25 -0.09 0.00 -1.15 0.00 0.00 33.47 29.85 2jrr s TRP 31 CO -0.05 -0.35 0.93 -0.51 0.02 0.00 0.00 176.95 176.99 2jrr s LEU 32 N 1.63 3.80 -0.24 2.99 1.02 0.72 -4.87 118.68 123.73 2jrr s LEU 32 Ca 0.06 1.55 0.02 0.00 0.02 0.00 0.00 54.13 55.79 2jrr s LEU 32 Cb -0.15 -4.44 0.05 0.00 0.02 0.00 0.00 46.19 41.67 2jrr s LEU 32 CO 0.04 -0.45 -0.12 -1.58 0.02 0.00 0.00 176.35 174.27 2jrr s GLN 33 N -3.61 2.29 -0.45 1.70 2.00 -1.26 -2.32 119.66 118.02 2jrr s GLN 33 Ca 0.59 -1.20 -0.29 0.00 -2.00 0.00 0.00 55.36 52.46 2jrr s GLN 33 Cb -0.10 -2.78 0.02 0.00 0.80 0.00 0.00 33.01 30.95 2jrr s GLN 33 CO 0.23 -0.50 1.30 0.42 -0.50 0.00 0.00 175.29 176.23 2jrr s ILE 34 N 1.18 4.02 0.43 -2.34 1.01 -0.93 -4.86 121.20 119.70 2jrr s ILE 34 Ca -0.06 1.03 -0.09 0.00 0.00 0.00 0.00 60.65 61.53 2jrr s ILE 34 Cb -0.19 -4.40 -0.06 0.00 0.01 0.00 0.00 42.46 37.83 2jrr s ILE 34 CO -0.07 -0.90 0.77 -2.16 0.00 0.00 0.00 174.94 172.59 2jrr s PRO 35 N 4.78 3.71 0.45 2.79 0.04 -1.26 -4.84 135.00 140.67 2jrr s PRO 35 Ca 0.55 0.39 0.29 0.00 0.04 0.00 0.00 61.00 62.27 2jrr s PRO 35 Cb -0.11 -2.39 0.98 0.00 0.04 0.00 0.00 34.50 33.03 2jrr s PRO 35 CO 0.32 -0.09 1.83 0.93 0.04 0.00 0.00 177.00 180.03 2jrr h GLU 36 N 0.96 0.00 0.47 4.56 5.08 -1.96 0.13 114.58 123.83 2jrr h GLU 36 Ca -0.47 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 2jrr h GLU 36 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2jrr h GLU 36 CO 0.63 0.00 -0.32 0.22 -1.00 0.00 0.00 179.01 178.54 2jrr h ASP 37 N 0.00 -0.82 0.00 1.42 1.82 -1.98 -3.37 116.42 113.49 2jrr h ASP 37 Ca 0.00 0.05 -0.24 0.00 -0.39 0.00 0.00 57.03 56.46 2jrr h ASP 37 Cb 0.65 0.25 -0.04 0.00 0.68 0.00 0.00 39.33 40.88 2jrr h ASP 37 CO 0.00 -0.49 -1.32 0.35 -1.61 0.00 0.00 179.24 176.17 2jrr n THR 38 N -5.45 1.53 -0.03 2.25 -2.24 -1.21 -5.01 114.28 104.12 2jrr n THR 38 Ca -0.11 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2jrr n THR 38 Cb 0.35 -2.04 0.00 0.00 -2.10 0.00 0.00 70.33 66.53 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 1.43 0.59 3.81 3.38 0.00 0.47 -4.51 105.19 110.35 2jrr n GLY 39 Ca -0.33 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.04 -0.06 -0.01 1.61 1.48 -1.26 -0.80 118.94 117.86 2jrr s TRP 40 Ca 0.00 -0.40 -0.03 0.00 -1.06 0.00 0.00 56.10 54.61 2jrr s TRP 40 Cb 0.00 0.63 -0.00 0.00 -1.16 0.00 0.00 33.47 32.94 2jrr s TRP 40 CO 0.00 -1.23 0.05 0.54 -4.06 0.00 0.00 176.95 172.26 2jrr s VAL 41 N -3.79 0.05 -0.11 -0.66 0.11 0.37 -4.40 120.40 111.96 2jrr s VAL 41 Ca 0.13 -0.40 -0.04 0.00 -2.93 0.00 0.00 61.98 58.74 2jrr s VAL 41 Cb -0.05 -0.22 -0.04 0.00 -1.53 0.00 0.00 36.38 34.55 2jrr s VAL 41 CO 0.08 -0.22 0.05 -1.61 -3.33 0.00 0.00 175.10 170.07 2jrr s GLU 42 N -0.69 3.31 -0.43 1.54 2.02 -1.26 -0.40 118.70 122.79 2jrr s GLU 42 Ca -0.08 -0.32 -0.18 0.00 0.02 0.00 0.00 54.97 54.41 2jrr s GLU 42 Cb -0.05 -2.99 0.03 0.00 0.10 0.00 0.00 34.13 31.22 2jrr s GLU 42 CO 0.00 0.64 0.51 0.00 0.02 0.00 0.00 175.26 176.43 2jrr n PRO 44 N 5.84 0.07 -0.01 0.00 -0.04 -1.26 -0.74 135.00 138.86 2jrr n PRO 44 Ca -0.06 0.44 -0.03 0.00 -0.04 0.00 0.00 63.50 63.82 2jrr n PRO 44 Cb 0.47 -1.68 -0.01 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.82 0.00 0.47 0.54 4.01 -1.26 -4.71 117.16 114.38 2jrr n TYR 45 Ca 0.01 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.87 2jrr n TYR 45 Cb 0.10 -0.17 0.47 0.00 -0.31 0.00 0.00 39.34 39.44 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 -2.26 0.00 -4.76 0.00 2.03 0.08 -4.98 116.55 106.67 2jrr n ASP 47 Ca 0.03 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.97 2jrr n ASP 47 Cb 0.29 -0.81 0.02 0.00 -0.72 0.00 0.00 41.12 39.90 2jrr n ASP 47 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jrr s LYS 49 N -2.98 1.90 -0.37 0.00 2.20 0.18 -0.40 119.74 120.27 2jrr s LYS 49 Ca 0.70 -1.63 -0.22 0.00 -0.36 0.00 0.00 55.97 54.46 2jrr s LYS 49 Cb -0.32 -3.16 0.01 0.00 -1.51 0.00 0.00 37.83 32.85 2jrr s LYS 49 CO 0.37 -0.80 0.71 0.71 -0.36 0.00 0.00 175.35 175.98 2jrr s TYR 50 N 1.04 3.12 -0.08 4.03 2.02 0.47 -0.61 117.35 127.33 2jrr s TYR 50 Ca 0.03 0.40 -0.13 0.00 -0.37 0.00 0.00 57.07 56.99 2jrr s TYR 50 Cb -0.20 -3.30 -0.05 0.00 -0.40 0.00 0.00 41.96 38.01 2jrr s TYR 50 CO -0.06 -0.71 0.31 0.08 -1.57 0.00 0.00 175.55 173.60 2jrr s VAL 51 N 2.93 5.23 -0.12 0.71 1.01 0.45 -0.48 120.40 130.12 2jrr s VAL 51 Ca 0.28 0.61 -0.29 0.00 0.00 0.00 0.00 61.98 62.57 2jrr s VAL 51 Cb -0.14 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2jrr s VAL 51 CO 0.17 0.52 1.42 -0.22 0.00 0.00 0.00 175.10 176.98 2jrr s LEU 52 N -0.53 4.24 -0.12 3.92 2.96 0.02 -0.42 118.68 128.75 2jrr s LEU 52 Ca 0.20 1.91 -0.29 0.00 -0.22 0.00 0.00 54.13 55.72 2jrr s LEU 52 Cb -0.14 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 2jrr s LEU 52 CO 0.08 -0.83 1.77 -0.75 -1.32 0.00 0.00 176.35 175.31 2jrr s LYS 53 N 3.71 3.90 0.00 1.98 2.20 0.59 -1.59 119.74 130.53 2jrr s LYS 53 Ca 0.62 2.06 0.00 0.00 -0.36 0.00 0.00 55.97 58.29 2jrr s LYS 53 Cb -0.26 -4.09 0.00 0.00 -1.51 0.00 0.00 37.83 31.97 2jrr s LYS 53 CO 0.20 -1.19 0.00 0.41 -0.36 0.00 0.00 175.35 174.41 2jrr n GLY 54 N 4.61 0.76 3.17 5.54 0.00 -1.26 -4.84 105.19 113.16 2jrr n GLY 54 Ca 0.20 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 2jrr n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jrr n SER 55 N 0.43 0.99 -0.26 1.61 3.41 -0.62 -4.80 113.62 114.38 2jrr n SER 55 Ca 0.00 -1.87 0.05 0.00 -0.26 0.00 0.00 58.87 56.79 2jrr n SER 55 Cb 0.00 -0.56 0.28 0.00 -0.26 0.00 0.00 64.21 63.67 2jrr n SER 55 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2jrr h LYS 56 N 0.00 0.90 0.01 4.33 2.10 -1.90 0.11 116.57 122.13 2jrr h LYS 56 Ca -0.28 -0.05 -0.21 0.00 -2.00 0.00 0.00 60.65 58.11 2jrr h LYS 56 Cb 0.99 -0.20 -0.02 0.00 -0.90 0.00 0.00 32.23 32.10 2jrr h LYS 56 CO 0.29 0.60 -0.97 0.00 -2.00 0.00 0.00 179.45 177.36 2jrr h ALA 57 N 1.54 0.42 0.19 0.07 0.00 -1.84 -1.78 119.26 117.86 2jrr h ALA 57 Ca 0.36 -0.85 -0.29 0.00 0.00 0.00 0.00 54.91 54.14 2jrr h ALA 57 Cb 0.23 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.91 2jrr h ALA 57 CO -0.13 1.13 -1.35 0.22 0.00 0.00 0.00 179.25 179.12 2jrr h ASP 58 N 0.02 0.62 0.02 0.00 3.58 -1.72 -3.40 116.42 115.53 2jrr h ASP 58 Ca -0.03 -0.92 -0.00 0.00 0.42 0.00 0.00 57.03 56.50 2jrr h ASP 58 Cb 1.68 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.53 2jrr h ASP 58 CO 0.13 1.63 -0.01 0.00 -2.88 0.00 0.00 179.24 178.11 2jrr h ALA 59 N 0.09 -0.03 -4.78 -0.78 0.00 -1.07 -3.48 119.26 109.21 2jrr h ALA 59 Ca -0.25 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.66 2jrr h ALA 59 Cb 1.94 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.63 2jrr h ALA 59 CO 0.18 -0.03 -1.43 1.28 0.00 0.00 0.00 179.25 179.26 2jrr n LEU 60 N -4.65 -5.84 -0.82 0.00 4.77 -0.67 -4.96 117.00 104.84 2jrr n LEU 60 Ca -0.00 2.19 0.10 0.00 -0.03 0.00 0.00 56.01 58.26 2jrr n LEU 60 Cb 0.01 -3.10 -0.05 0.00 -2.33 0.00 0.00 43.42 37.94 2jrr n LEU 60 CO 0.01 -3.64 -0.36 -0.62 -1.33 0.00 0.00 177.39 171.45 2jrr n GLU 61 N 1.58 -1.90 -3.68 3.23 -0.58 -1.26 -5.03 120.64 113.00 2jrr n GLU 61 Ca -0.36 1.56 -0.13 0.00 -0.42 0.00 0.00 57.16 57.81 2jrr n GLU 61 Cb 0.56 -2.21 -0.13 0.00 -0.57 0.00 0.00 31.44 29.09 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 -3.78 -0.42 -0.06 -0.32 -3.43 -1.26 -5.16 115.29 100.86 2jrr s HIS 62 Ca 0.00 0.96 0.03 0.00 -0.80 0.00 0.00 55.06 55.26 2jrr s HIS 62 Cb 0.00 0.02 0.00 0.00 -1.43 0.00 0.00 32.58 31.17 2jrr s HIS 62 CO 0.00 -0.33 -0.16 -1.01 -2.00 0.00 0.00 174.74 171.24 2jrr s HIS 63 N 2.06 1.77 -0.29 0.38 3.76 -1.26 -5.11 115.29 116.60 2jrr s HIS 63 Ca -0.02 -0.61 -0.15 0.00 -0.15 0.00 0.00 55.06 54.12 2jrr s HIS 63 Cb -0.11 -1.22 0.13 0.00 1.11 0.00 0.00 32.58 32.49 2jrr s HIS 63 CO -0.09 -0.26 0.89 -3.38 -0.85 0.00 0.00 174.74 171.06 2jrr s HIS 64 N 0.34 -0.75 -0.22 1.40 -3.43 -1.26 -5.14 115.29 106.23 2jrr s HIS 64 Ca -0.11 1.45 -0.29 0.00 -0.80 0.00 0.00 55.06 55.31 2jrr s HIS 64 Cb -0.14 0.45 -0.01 0.00 -1.43 0.00 0.00 32.58 31.45 2jrr s HIS 64 CO 0.04 -0.37 1.26 -1.01 -2.00 0.00 0.00 174.74 172.66 2jrr s HIS 65 N 1.73 2.82 0.00 0.38 3.76 -1.26 -4.80 115.29 117.92 2jrr s HIS 65 Ca -0.08 0.99 0.00 0.00 -0.15 0.00 0.00 55.06 55.82 2jrr s HIS 65 Cb -0.05 -3.63 0.00 0.00 1.11 0.00 0.00 32.58 30.01 2jrr s HIS 65 CO -0.17 -1.62 0.00 0.72 -0.85 0.00 0.00 174.74 172.83 2jrr n HIS 66 N 6.95 -0.95 -1.46 1.40 8.25 -1.26 -5.38 115.22 122.78 2jrr n HIS 66 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 2jrr n HIS 66 Cb 0.46 0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.71 2jrr n HIS 66 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59