#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jr5 s TYR 2 N 0.00 1.66 0.00 1.12 1.51 -1.26 -4.93 117.35 115.45 2jr5 s TYR 2 Ca 0.00 0.80 0.00 0.00 -1.01 0.00 0.00 57.07 56.86 2jr5 s TYR 2 Cb 0.00 -4.04 0.00 0.00 -0.11 0.00 0.00 41.96 37.81 2jr5 s TYR 2 CO 0.00 -2.15 0.00 0.25 -1.11 0.00 0.00 175.55 172.54 2jr5 n THR 3 N 7.46 0.00 -0.36 -0.71 -2.24 -1.26 -4.80 114.28 112.37 2jr5 n THR 3 Ca 0.27 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.14 2jr5 n THR 3 Cb 0.51 -0.77 0.27 0.00 -2.10 0.00 0.00 70.33 68.24 2jr5 n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jr5 h ALA 4 N -0.35 1.58 -0.44 6.98 0.00 -1.98 0.22 119.26 125.28 2jr5 h ALA 4 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jr5 h ALA 4 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2jr5 h ALA 4 CO 0.00 0.14 0.26 0.93 0.00 0.00 0.00 179.25 180.58 2jr5 h GLU 5 N 0.92 0.60 -0.08 0.00 3.07 -1.97 -0.94 114.58 116.18 2jr5 h GLU 5 Ca 0.52 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 59.20 2jr5 h GLU 5 Cb 0.61 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 2jr5 h GLU 5 CO -0.29 0.45 -0.50 1.96 -1.40 0.00 0.00 179.01 179.23 2jr5 h GLN 6 N 0.58 0.20 -0.28 2.33 1.08 -1.47 -2.38 115.11 115.17 2jr5 h GLN 6 Ca 0.16 -0.11 -0.05 0.00 -1.45 0.00 0.00 58.65 57.19 2jr5 h GLN 6 Cb 0.01 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 2jr5 h GLN 6 CO -0.03 0.66 -0.04 0.87 -0.95 0.00 0.00 178.83 179.34 2jr5 h LYS 7 N 0.16 0.44 -0.56 1.46 1.57 -0.20 -1.73 116.57 117.70 2jr5 h LYS 7 Ca 0.01 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 2jr5 h LYS 7 Cb 0.94 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 2jr5 h LYS 7 CO 0.08 0.50 0.19 0.00 -0.57 0.00 0.00 179.45 179.64 2jr5 h ALA 8 N 1.55 1.28 -0.75 3.86 0.00 -0.66 0.26 119.26 124.81 2jr5 h ALA 8 Ca 0.09 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2jr5 h ALA 8 Cb 0.34 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2jr5 h ALA 8 CO 0.01 0.52 0.30 0.00 0.00 0.00 0.00 179.25 180.08 2jr5 h ARG 9 N 0.82 1.10 -0.56 0.00 2.47 -1.10 -2.27 114.38 114.83 2jr5 h ARG 9 Ca 0.19 -0.19 -0.05 0.00 -1.26 0.00 0.00 59.98 58.66 2jr5 h ARG 9 Cb 0.21 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.32 2jr5 h ARG 9 CO -0.01 0.89 0.14 0.82 0.56 0.00 0.00 179.97 182.37 2jr5 h ILE 10 N 1.08 1.25 -0.82 2.04 2.04 -0.67 -2.73 117.51 119.69 2jr5 h ILE 10 Ca 0.25 -0.88 0.10 0.00 1.00 0.00 0.00 64.86 65.33 2jr5 h ILE 10 Cb 0.20 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 2jr5 h ILE 10 CO -0.02 0.33 0.54 0.50 0.00 0.00 0.00 178.15 179.49 2jr5 h LYS 11 N 0.81 0.74 -0.57 2.37 3.64 -0.42 0.56 116.57 123.70 2jr5 h LYS 11 Ca 0.18 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2jr5 h LYS 11 Cb 0.34 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 2jr5 h LYS 11 CO 0.00 0.49 0.11 -1.49 -2.27 0.00 0.00 179.45 176.29 2jr5 h TRP 12 N 0.77 0.93 -0.28 1.91 4.06 -1.14 0.12 115.95 122.31 2jr5 h TRP 12 Ca 0.38 -0.10 -0.17 0.00 2.06 0.00 0.00 58.89 61.06 2jr5 h TRP 12 Cb 0.45 -0.27 -0.00 0.00 -1.00 0.00 0.00 29.16 28.35 2jr5 h TRP 12 CO -0.00 0.79 -0.52 0.00 -3.56 0.00 0.00 178.44 175.15 2jr5 h ALA 13 N 1.27 0.55 -0.42 1.49 0.00 -0.91 -2.87 119.26 118.37 2jr5 h ALA 13 Ca 0.18 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 2jr5 h ALA 13 Cb 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jr5 h ALA 13 CO 0.00 0.68 -0.11 0.00 0.00 0.00 0.00 179.25 179.83 2jr5 n ARG 15 N -4.30 1.33 -0.29 0.00 0.63 0.39 -4.13 116.66 110.28 2jr5 n ARG 15 Ca -0.01 -0.77 -0.05 0.00 -0.92 0.00 0.00 57.85 56.11 2jr5 n ARG 15 Cb 0.37 -1.30 0.07 0.00 0.45 0.00 0.00 32.46 32.05 2jr5 n ARG 15 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2jr5 h ARG 16 N 0.35 1.10 0.00 -0.14 2.43 -1.24 -3.47 114.38 113.41 2jr5 h ARG 16 Ca 0.16 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2jr5 h ARG 16 Cb 1.42 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2jr5 h ARG 16 CO 0.29 0.81 0.00 0.41 -1.51 0.00 0.00 179.97 179.97 2jr5 n GLY 17 N -1.10 0.56 2.71 2.80 0.00 -1.26 -5.03 105.19 103.87 2jr5 n GLY 17 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2jr5 n GLY 17 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2jr5 n MET 18 N 0.00 2.77 0.29 1.61 0.00 -1.26 -4.67 117.12 115.86 2jr5 n MET 18 Ca 0.00 -2.40 0.16 0.00 0.00 0.00 0.00 57.70 55.46 2jr5 n MET 18 Cb 0.00 -3.14 0.84 0.00 0.00 0.00 0.00 33.22 30.92 2jr5 n MET 18 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2jr5 h LEU 19 N 10.00 0.00 -1.61 -0.89 3.38 -1.96 -1.26 115.31 122.97 2jr5 h LEU 19 Ca 0.59 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.65 2jr5 h LEU 19 Cb 0.57 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2jr5 h LEU 19 CO 1.87 0.06 0.40 -0.33 0.09 0.00 0.00 178.44 180.53 2jr5 h GLU 20 N 0.00 0.44 0.01 1.13 5.08 -1.96 -2.46 114.58 116.82 2jr5 h GLU 20 Ca -0.00 -0.03 -0.34 0.00 -1.00 0.00 0.00 59.36 57.99 2jr5 h GLU 20 Cb 0.29 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 2jr5 h GLU 20 CO 0.01 0.29 -2.14 1.28 -1.00 0.00 0.00 179.01 177.45 2jr5 n LEU 21 N -4.47 0.74 -0.27 1.33 4.77 -0.57 -4.37 117.00 114.16 2jr5 n LEU 21 Ca 0.09 0.14 0.08 0.00 -0.03 0.00 0.00 56.01 56.30 2jr5 n LEU 21 Cb 0.33 0.16 0.23 0.00 -2.33 0.00 0.00 43.42 41.80 2jr5 n LEU 21 CO 0.34 0.52 0.97 -0.78 -1.33 0.00 0.00 177.39 177.11 2jr5 h ASP 22 N 0.00 0.11 0.95 -1.43 3.58 -0.86 0.50 116.42 119.27 2jr5 h ASP 22 Ca -0.45 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.15 2jr5 h ASP 22 Cb 2.12 0.18 0.00 0.00 1.72 0.00 0.00 39.33 43.36 2jr5 h ASP 22 CO 0.04 -0.03 0.00 1.33 -2.88 0.00 0.00 179.24 177.70 2jr5 n VAL 23 N -5.13 0.39 0.02 2.25 0.24 -1.03 -3.56 118.33 111.52 2jr5 n VAL 23 Ca 0.17 0.03 0.02 0.00 -2.04 0.00 0.00 64.34 62.52 2jr5 n VAL 23 Cb 0.53 -0.68 -0.03 0.00 -1.47 0.00 0.00 33.84 32.19 2jr5 n VAL 23 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2jr5 n VAL 24 N -1.69 0.00 -0.11 3.34 0.24 0.21 -4.67 118.33 115.67 2jr5 n VAL 24 Ca 0.06 -0.13 -0.14 0.00 -2.04 0.00 0.00 64.34 62.09 2jr5 n VAL 24 Cb 0.31 0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 33.13 2jr5 n VAL 24 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2jr5 h ILE 25 N 0.00 1.27 0.04 1.34 2.04 -0.18 -3.30 117.51 118.72 2jr5 h ILE 25 Ca 0.00 -1.62 0.03 0.00 1.00 0.00 0.00 64.86 64.27 2jr5 h ILE 25 Cb 0.18 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 2jr5 h ILE 25 CO 0.00 0.54 -0.24 0.24 0.00 0.00 0.00 178.15 178.69 2jr5 h MET 26 N 0.74 -0.38 -0.60 2.37 2.86 -1.81 0.28 114.93 118.39 2jr5 h MET 26 Ca 0.05 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2jr5 h MET 26 Cb 1.04 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.76 2jr5 h MET 26 CO 0.10 -0.25 0.39 -1.00 1.06 0.00 0.00 176.91 177.21 2jr5 h PRO 27 N -0.39 0.79 -0.56 -0.22 0.13 -1.87 -1.66 132.00 128.23 2jr5 h PRO 27 Ca 0.05 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 65.02 2jr5 h PRO 27 Cb 0.45 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.39 2jr5 h PRO 27 CO -0.19 0.54 -0.05 0.74 -0.23 0.00 0.00 178.00 178.81 2jr5 h PHE 28 N 0.81 1.12 -0.23 1.56 -1.00 -1.56 -2.47 116.94 115.16 2jr5 h PHE 28 Ca 0.22 -0.20 0.02 0.00 2.81 0.00 0.00 57.97 60.81 2jr5 h PHE 28 Cb -0.07 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.18 2jr5 h PHE 28 CO -0.03 1.01 0.08 0.35 -1.61 0.00 0.00 178.31 178.11 2jr5 h PHE 29 N 0.92 0.15 -0.46 -0.55 3.57 -0.15 0.89 116.94 121.32 2jr5 h PHE 29 Ca 0.16 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.67 2jr5 h PHE 29 Cb 0.60 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 2jr5 h PHE 29 CO 0.04 0.08 0.30 0.93 -2.23 0.00 0.00 178.31 177.42 2jr5 h GLU 30 N 0.19 0.59 -0.07 1.11 4.39 -1.10 0.21 114.58 119.91 2jr5 h GLU 30 Ca 0.10 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.66 2jr5 h GLU 30 Cb 0.06 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2jr5 h GLU 30 CO -0.10 0.39 -0.37 1.05 -1.16 0.00 0.00 179.01 178.82 2jr5 h GLU 31 N 0.61 0.37 -0.06 2.33 4.11 -1.31 -3.30 114.58 117.34 2jr5 h GLU 31 Ca 0.17 -0.31 -0.14 0.00 0.07 0.00 0.00 59.36 59.15 2jr5 h GLU 31 Cb -0.06 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2jr5 h GLU 31 CO -0.04 0.95 -0.61 0.00 0.07 0.00 0.00 179.01 179.37 2jr5 h PHE 33 N 0.15 0.40 -0.14 0.00 3.57 -0.66 0.41 116.94 120.67 2jr5 h PHE 33 Ca -0.01 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.54 2jr5 h PHE 33 Cb 1.12 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 2jr5 h PHE 33 CO 0.02 0.19 0.15 0.22 -2.23 0.00 0.00 178.31 176.65 2jr5 h ASP 34 N 0.38 0.00 0.00 0.41 3.58 -1.57 -2.21 116.42 117.01 2jr5 h ASP 34 Ca 0.27 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.72 2jr5 h ASP 34 Cb 0.56 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.61 2jr5 h ASP 34 CO -0.07 0.00 -1.52 -1.54 -2.88 0.00 0.00 179.24 173.23 2jr5 n SER 35 N -3.90 2.42 -4.59 2.28 3.41 0.18 -4.94 113.62 108.49 2jr5 n SER 35 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 2jr5 n SER 35 Cb 0.26 1.51 -0.09 0.00 -0.26 0.00 0.00 64.21 65.63 2jr5 n SER 35 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jr5 s LEU 36 N -3.79 4.14 0.91 1.04 1.43 0.12 -5.07 118.68 117.45 2jr5 s LEU 36 Ca -0.04 0.12 -0.14 0.00 -1.03 0.00 0.00 54.13 53.04 2jr5 s LEU 36 Cb 0.07 -2.38 0.16 0.00 0.03 0.00 0.00 46.19 44.07 2jr5 s LEU 36 CO 0.47 -0.22 1.26 -0.89 0.23 0.00 0.00 176.35 177.21 2jr5 s THR 37 N 2.04 1.99 0.30 5.49 2.01 -1.26 -4.59 115.64 121.61 2jr5 s THR 37 Ca 0.13 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.13 2jr5 s THR 37 Cb -0.16 -2.99 0.17 0.00 0.01 0.00 0.00 72.50 69.53 2jr5 s THR 37 CO 0.11 0.00 1.86 -0.33 -0.69 0.00 0.00 174.62 175.56 2jr5 h GLU 38 N -1.44 0.80 -0.93 4.92 5.08 -1.97 0.19 114.58 121.23 2jr5 h GLU 38 Ca -0.45 -0.15 0.06 0.00 -1.00 0.00 0.00 59.36 57.83 2jr5 h GLU 38 Cb 1.27 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.33 2jr5 h GLU 38 CO 0.49 0.70 0.60 0.77 -1.00 0.00 0.00 179.01 180.57 2jr5 h SER 39 N 0.78 0.93 -0.12 1.42 0.02 -1.99 0.39 113.55 114.97 2jr5 h SER 39 Ca 0.18 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.05 2jr5 h SER 39 Cb 0.24 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2jr5 h SER 39 CO -0.01 0.60 -0.24 -0.33 -1.14 0.00 0.00 176.83 175.71 2jr5 h GLU 40 N 1.06 0.38 -0.82 3.45 4.39 -1.44 -3.21 114.58 118.39 2jr5 h GLU 40 Ca 0.40 -0.24 0.06 0.00 0.34 0.00 0.00 59.36 59.91 2jr5 h GLU 40 Cb 0.19 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.81 2jr5 h GLU 40 CO -0.15 0.84 0.50 0.37 -1.16 0.00 0.00 179.01 179.41 2jr5 h GLN 41 N -0.04 0.89 -0.92 2.33 4.15 -0.14 -2.42 115.11 118.96 2jr5 h GLN 41 Ca 0.01 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.42 2jr5 h GLN 41 Cb 0.83 -0.20 -0.06 0.00 0.21 0.00 0.00 27.48 28.26 2jr5 h GLN 41 CO 0.05 0.59 0.59 0.22 -1.93 0.00 0.00 178.83 178.35 2jr5 h ASP 42 N 0.92 0.95 -0.38 -0.69 1.82 -0.25 0.30 116.42 119.09 2jr5 h ASP 42 Ca 0.36 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.86 2jr5 h ASP 42 Cb 0.16 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 39.97 2jr5 h ASP 42 CO -0.17 0.63 -0.30 -0.78 -1.61 0.00 0.00 179.24 177.01 2jr5 h ASP 43 N 1.10 0.91 -0.29 2.28 1.82 -1.49 -2.04 116.42 118.71 2jr5 h ASP 43 Ca 0.38 -0.45 -0.02 0.00 -0.39 0.00 0.00 57.03 56.56 2jr5 h ASP 43 Cb 0.10 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 39.84 2jr5 h ASP 43 CO -0.15 1.17 0.10 0.15 -1.61 0.00 0.00 179.24 178.89 2jr5 h PHE 44 N 0.67 0.47 -0.72 0.28 3.57 -0.81 -2.39 116.94 118.01 2jr5 h PHE 44 Ca 0.07 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2jr5 h PHE 44 Cb 0.88 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 2jr5 h PHE 44 CO 0.06 0.49 0.38 0.28 -2.23 0.00 0.00 178.31 177.29 2jr5 h VAL 45 N 0.32 1.22 -0.62 1.41 2.07 -0.44 -1.77 116.25 118.44 2jr5 h VAL 45 Ca 0.10 -0.58 0.08 0.00 0.82 0.00 0.00 66.70 67.12 2jr5 h VAL 45 Cb 0.23 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 2jr5 h VAL 45 CO -0.00 0.25 0.41 0.00 0.02 0.00 0.00 177.57 178.25 2jr5 h ALA 46 N 1.19 1.91 -0.28 1.67 0.00 -1.16 -1.40 119.26 121.19 2jr5 h ALA 46 Ca 0.25 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 2jr5 h ALA 46 Cb 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2jr5 h ALA 46 CO -0.04 -0.03 -0.11 1.25 0.00 0.00 0.00 179.25 180.33 2jr5 h LEU 47 N 0.51 0.57 -2.19 0.00 5.85 -0.82 -3.20 115.31 116.03 2jr5 h LEU 47 Ca 0.28 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2jr5 h LEU 47 Cb 0.43 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 2jr5 h LEU 47 CO -0.08 0.83 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.73 2jr5 h LEU 48 N 0.30 0.00 -1.08 2.25 3.38 -0.72 0.03 115.31 119.48 2jr5 h LEU 48 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jr5 h LEU 48 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2jr5 h LEU 48 CO 0.03 0.04 0.00 -0.33 0.09 0.00 0.00 178.44 178.28 2jr5 h GLU 49 N 0.00 0.00 0.00 1.13 5.08 -1.45 -3.45 114.58 115.89 2jr5 h GLU 49 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jr5 h GLU 49 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2jr5 h GLU 49 CO 0.01 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.45 2jr5 n SER 50 N -2.88 0.91 -4.74 1.42 7.64 -0.00 -5.11 113.62 110.86 2jr5 n SER 50 Ca 0.01 -0.28 -0.30 0.00 1.01 0.00 0.00 58.87 59.32 2jr5 n SER 50 Cb 0.32 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.64 2jr5 n SER 50 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2jr5 s ASP 51 N -0.34 3.78 -0.47 6.43 1.11 -1.26 -5.02 116.67 120.90 2jr5 s ASP 51 Ca 0.00 1.44 0.06 0.00 0.18 0.00 0.00 52.55 54.23 2jr5 s ASP 51 Cb 0.00 -2.14 0.40 0.00 1.07 0.00 0.00 42.92 42.25 2jr5 s ASP 51 CO 0.00 -2.44 1.05 -0.90 1.18 0.00 0.00 175.17 174.07 2jr5 n ASP 52 N -3.75 4.46 0.09 0.27 5.75 -1.26 -4.80 116.55 117.31 2jr5 n ASP 52 Ca 0.07 -3.66 -0.15 0.00 -0.01 0.00 0.00 54.79 51.05 2jr5 n ASP 52 Cb 0.55 -0.49 -0.10 0.00 -1.03 0.00 0.00 41.12 40.05 2jr5 n ASP 52 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 2jr5 h PRO 53 N 2.71 0.29 -0.32 0.11 0.13 -1.98 -1.61 132.00 131.34 2jr5 h PRO 53 Ca 0.23 -0.43 -0.01 0.00 -0.87 0.00 0.00 66.00 64.92 2jr5 h PRO 53 Cb 0.82 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 2jr5 h PRO 53 CO 0.82 1.17 0.17 -0.44 -0.23 0.00 0.00 178.00 179.48 2jr5 h ASP 54 N 0.11 0.41 -0.01 1.44 5.19 -1.87 0.41 116.42 122.11 2jr5 h ASP 54 Ca -0.11 -0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 56.19 2jr5 h ASP 54 Cb 1.83 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 41.24 2jr5 h ASP 54 CO 0.19 0.40 0.00 0.25 -3.12 0.00 0.00 179.24 176.96 2jr5 h LEU 55 N 0.39 0.02 -0.27 1.55 6.46 -1.92 -2.17 115.31 119.37 2jr5 h LEU 55 Ca 0.11 -0.31 0.02 0.00 -0.12 0.00 0.00 57.88 57.59 2jr5 h LEU 55 Cb 0.09 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 2jr5 h LEU 55 CO -0.02 0.33 0.11 0.15 -0.62 0.00 0.00 178.44 178.39 2jr5 h PHE 56 N -0.28 0.20 -0.13 1.25 3.57 -1.19 -1.71 116.94 118.64 2jr5 h PHE 56 Ca 0.00 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.37 2jr5 h PHE 56 Cb 0.31 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2jr5 h PHE 56 CO 0.03 0.10 -0.55 0.00 -2.23 0.00 0.00 178.31 175.66 2jr5 h ALA 57 N 1.15 0.81 0.00 2.41 0.00 -0.92 -3.16 119.26 119.55 2jr5 h ALA 57 Ca 0.11 -0.51 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 2jr5 h ALA 57 Cb 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2jr5 h ALA 57 CO -0.10 0.69 -1.03 -1.49 0.00 0.00 0.00 179.25 177.33 2jr5 h TRP 58 N 0.30 0.00 -0.71 0.00 4.06 -1.23 0.29 115.95 118.65 2jr5 h TRP 58 Ca 0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 2jr5 h TRP 58 Cb 1.06 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.19 2jr5 h TRP 58 CO 0.03 0.75 0.37 0.28 -3.56 0.00 0.00 178.44 176.31 2jr5 h VAL 59 N 0.00 1.23 0.00 1.49 2.07 -1.33 -2.38 116.25 117.32 2jr5 h VAL 59 Ca -0.08 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 2jr5 h VAL 59 Cb 1.64 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2jr5 h VAL 59 CO 0.08 0.26 -0.35 0.24 0.02 0.00 0.00 177.57 177.82 2jr5 h MET 60 N 0.99 0.00 -1.65 1.57 2.86 -1.56 -3.47 114.93 113.66 2jr5 h MET 60 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2jr5 h MET 60 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2jr5 h MET 60 CO -0.04 0.04 0.00 0.41 1.06 0.00 0.00 176.91 178.38 2jr5 n GLY 61 N 1.14 0.50 3.13 8.32 0.00 0.20 -5.07 105.19 113.41 2jr5 n GLY 61 Ca 0.02 -0.38 0.02 0.00 0.00 0.00 0.00 46.02 45.68 2jr5 n GLY 61 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jr5 s HIS 62 N -2.59 -1.50 0.00 1.61 5.65 0.77 -4.99 115.29 114.23 2jr5 s HIS 62 Ca 0.00 0.34 0.00 0.00 0.25 0.00 0.00 55.06 55.65 2jr5 s HIS 62 Cb 0.00 0.27 0.00 0.00 -1.18 0.00 0.00 32.58 31.67 2jr5 s HIS 62 CO 0.00 -0.99 0.00 0.41 -0.65 0.00 0.00 174.74 173.51 2jr5 n GLY 63 N 4.47 0.11 3.84 1.59 0.00 -1.26 -4.71 105.19 109.23 2jr5 n GLY 63 Ca 0.09 -1.25 -0.21 0.00 0.00 0.00 0.00 46.02 44.65 2jr5 n GLY 63 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jr5 s ARG 64 N -2.00 2.56 -0.14 1.61 1.70 -1.26 -4.90 118.95 116.52 2jr5 s ARG 64 Ca 0.00 -1.47 -0.21 0.00 -0.47 0.00 0.00 55.73 53.58 2jr5 s ARG 64 Cb 0.00 -2.37 0.05 0.00 -0.57 0.00 0.00 34.95 32.07 2jr5 s ARG 64 CO 0.00 -0.05 0.54 0.00 -1.08 0.00 0.00 175.30 174.72 2jr5 h GLU 66 N 4.46 0.34 -4.36 0.00 4.39 -2.01 -3.42 114.58 113.98 2jr5 h GLU 66 Ca -0.28 -0.58 -0.73 0.00 0.34 0.00 0.00 59.36 58.11 2jr5 h GLU 66 Cb 1.16 0.22 -0.24 0.00 -0.10 0.00 0.00 28.75 29.79 2jr5 h GLU 66 CO 0.25 1.23 -0.38 -0.80 -1.16 0.00 0.00 179.01 178.16 2jr5 s ASN 67 N -7.17 5.98 0.47 1.42 0.01 -1.26 -4.92 114.94 109.47 2jr5 s ASN 67 Ca -0.11 -1.36 0.28 0.00 -0.71 0.00 0.00 52.86 50.96 2jr5 s ASN 67 Cb 0.06 -2.12 0.88 0.00 0.41 0.00 0.00 41.25 40.48 2jr5 s ASN 67 CO 0.87 -0.60 1.80 -0.07 -1.51 0.00 0.00 177.10 177.59 2jr5 h LEU 68 N 8.64 0.00 -0.65 0.60 3.38 -1.99 -2.80 115.31 122.48 2jr5 h LEU 68 Ca -0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 2jr5 h LEU 68 Cb 1.10 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 2jr5 h LEU 68 CO 0.83 0.00 0.33 1.23 0.09 0.00 0.00 178.44 180.92 2jr5 h GLY 69 N 3.02 0.99 0.90 0.83 0.00 -1.99 0.18 103.07 107.00 2jr5 h GLY 69 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2jr5 h GLY 69 CO 0.00 0.45 0.08 1.41 0.00 0.00 0.00 176.54 178.48 2jr5 h LEU 70 N 0.89 0.23 -1.87 3.11 3.38 -1.91 -2.81 115.31 116.34 2jr5 h LEU 70 Ca 0.23 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.09 2jr5 h LEU 70 Cb 0.08 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2jr5 h LEU 70 CO -0.03 0.31 0.17 0.00 0.09 0.00 0.00 178.44 178.97 2jr5 h ALA 71 N 0.93 2.01 -0.41 1.53 0.00 -1.23 -1.56 119.26 120.54 2jr5 h ALA 71 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2jr5 h ALA 71 Cb 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2jr5 h ALA 71 CO -0.01 -0.06 0.20 0.00 0.00 0.00 0.00 179.25 179.39 2jr5 h ALA 72 N 1.87 0.52 0.00 0.00 0.00 -0.38 0.11 119.26 121.38 2jr5 h ALA 72 Ca 0.10 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2jr5 h ALA 72 Cb 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2jr5 h ALA 72 CO -0.02 0.08 -0.62 0.00 0.00 0.00 0.00 179.25 178.69 2jr5 h MET 73 N 0.52 0.00 -0.51 0.00 -0.00 -1.27 -2.97 114.93 110.70 2jr5 h MET 73 Ca 0.14 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.73 2jr5 h MET 73 Cb 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.69 2jr5 h MET 73 CO -0.02 0.62 -0.10 0.28 -0.00 0.00 0.00 176.91 177.69 2jr5 h VAL 74 N 0.00 1.27 -0.92 -0.10 2.07 -0.94 -2.75 116.25 114.87 2jr5 h VAL 74 Ca -0.01 -1.24 0.12 0.00 0.82 0.00 0.00 66.70 66.39 2jr5 h VAL 74 Cb 1.18 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.90 2jr5 h VAL 74 CO 0.08 0.43 0.59 -0.78 0.02 0.00 0.00 177.57 177.91 2jr5 h ASP 75 N 0.83 0.79 -0.07 0.57 3.58 -0.64 0.28 116.42 121.76 2jr5 h ASP 75 Ca 0.13 0.03 -0.08 0.00 0.42 0.00 0.00 57.03 57.53 2jr5 h ASP 75 Cb 0.66 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 2jr5 h ASP 75 CO 0.05 0.43 -0.19 0.11 -2.88 0.00 0.00 179.24 176.76 2jr5 h LYS 76 N 0.85 0.45 -0.22 0.28 1.57 -1.37 0.22 116.57 118.36 2jr5 h LYS 76 Ca 0.44 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.94 2jr5 h LYS 76 Cb 0.52 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2jr5 h LYS 76 CO -0.21 0.63 -0.41 0.82 -0.57 0.00 0.00 179.45 179.72 2jr5 h ILE 77 N 0.41 1.32 -0.52 1.86 2.04 -0.82 -3.17 117.51 118.63 2jr5 h ILE 77 Ca 0.07 -1.62 0.04 0.00 1.00 0.00 0.00 64.86 64.34 2jr5 h ILE 77 Cb 0.58 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 2jr5 h ILE 77 CO 0.04 0.51 0.35 0.58 0.00 0.00 0.00 178.15 179.62 2jr5 h VAL 78 N 0.37 1.04 -0.78 1.67 2.07 0.05 -1.58 116.25 119.09 2jr5 h VAL 78 Ca 0.01 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 67.42 2jr5 h VAL 78 Cb 1.01 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 2jr5 h VAL 78 CO 0.09 0.10 0.44 0.00 0.02 0.00 0.00 177.57 178.23 2jr5 h ALA 79 N 1.70 1.08 -0.44 1.67 0.00 -0.94 0.50 119.26 122.84 2jr5 h ALA 79 Ca 0.21 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2jr5 h ALA 79 Cb 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2jr5 h ALA 79 CO -0.06 0.10 -0.01 0.45 0.00 0.00 0.00 179.25 179.73 2jr5 h HIS 80 N 0.78 0.86 -0.50 0.00 -0.00 -1.38 -0.84 115.15 114.07 2jr5 h HIS 80 Ca 0.36 -0.15 -0.03 0.00 -0.00 0.00 0.00 60.37 60.54 2jr5 h HIS 80 Cb 0.28 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.45 2jr5 h HIS 80 CO -0.07 0.85 0.18 -0.97 -0.00 0.00 0.00 177.93 177.92 2jr5 h ASN 81 N 0.62 0.70 -0.80 2.45 -0.73 -0.86 0.21 115.58 117.18 2jr5 h ASN 81 Ca 0.12 -0.19 -0.04 0.00 1.87 0.00 0.00 56.30 58.06 2jr5 h ASN 81 Cb 0.51 -0.18 -0.04 0.00 0.27 0.00 0.00 38.32 38.88 2jr5 h ASN 81 CO 0.03 0.70 0.33 0.25 -0.37 0.00 0.00 177.43 178.36 2jr5 h LEU 82 N 0.67 1.10 -0.94 0.34 6.46 0.04 -1.32 115.31 121.65 2jr5 h LEU 82 Ca 0.16 -0.17 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 2jr5 h LEU 82 Cb 0.23 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 39.85 2jr5 h LEU 82 CO -0.01 0.96 0.19 -1.28 -0.62 0.00 0.00 178.44 177.68 2jr5 h SER 83 N 1.16 0.90 -0.92 1.25 0.87 -0.68 -0.61 113.55 115.52 2jr5 h SER 83 Ca 0.27 -0.16 0.04 0.00 -1.23 0.00 0.00 61.79 60.71 2jr5 h SER 83 Cb 0.20 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 61.88 2jr5 h SER 83 CO -0.02 0.85 0.59 0.11 -0.53 0.00 0.00 176.83 177.83 2jr5 h LYS 84 N 0.93 1.12 -0.47 2.24 1.57 -0.23 0.26 116.57 121.98 2jr5 h LYS 84 Ca 0.21 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 2jr5 h LYS 84 Cb 0.28 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2jr5 h LYS 84 CO -0.01 0.74 0.01 0.28 -0.57 0.00 0.00 179.45 179.90 2jr5 h VAL 85 N 1.15 1.26 0.00 0.50 2.07 -0.27 0.12 116.25 121.08 2jr5 h VAL 85 Ca 0.37 -1.04 -0.08 0.00 0.82 0.00 0.00 66.70 66.76 2jr5 h VAL 85 Cb 0.01 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2jr5 h VAL 85 CO -0.12 0.36 -0.39 0.08 0.02 0.00 0.00 177.57 177.52 2jr5 h ARG 86 N 0.68 0.00 0.01 1.57 0.11 -0.81 -0.31 114.38 115.63 2jr5 h ARG 86 Ca 0.13 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.09 2jr5 h ARG 86 Cb 0.49 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.58 2jr5 h ARG 86 CO 0.02 0.39 -0.50 1.25 0.10 0.00 0.00 179.97 181.24 2jr5 h LEU 87 N 0.00 0.42 -1.32 0.08 5.85 -0.19 -3.11 115.31 117.04 2jr5 h LEU 87 Ca -0.00 -0.79 -0.02 0.00 0.84 0.00 0.00 57.88 57.91 2jr5 h LEU 87 Cb 1.09 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 2jr5 h LEU 87 CO 0.05 1.15 -0.09 -0.33 -0.34 0.00 0.00 178.44 178.88 2jr5 h GLU 88 N -0.27 0.00 -5.06 1.25 5.08 -0.76 -3.47 114.58 111.35 2jr5 h GLU 88 Ca -0.07 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.97 2jr5 h GLU 88 Cb 1.24 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.61 2jr5 h GLU 88 CO 0.10 0.09 -0.58 1.58 -1.00 0.00 0.00 179.01 179.20 2jr5 n HIS 89 N -3.23 -2.32 -2.23 4.33 -0.00 -0.13 -4.89 115.22 106.75 2jr5 n HIS 89 Ca 0.00 0.84 -0.39 0.00 0.46 0.00 0.00 57.72 58.63 2jr5 n HIS 89 Cb 0.35 -4.42 0.01 0.00 -0.12 0.00 0.00 29.99 25.81 2jr5 n HIS 89 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jr5 n HIS 90 N -4.43 2.62 -0.82 1.57 -0.00 -1.24 -4.79 115.22 108.14 2jr5 n HIS 90 Ca -0.04 -2.58 0.00 0.00 -0.00 0.00 0.00 57.72 55.11 2jr5 n HIS 90 Cb 0.57 -1.45 0.00 0.00 -0.00 0.00 0.00 29.99 29.11 2jr5 n HIS 90 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jr5 n HIS 91 N 0.63 0.00 -2.76 1.57 8.25 -1.26 -4.92 115.22 116.73 2jr5 n HIS 91 Ca 0.54 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.57 2jr5 n HIS 91 Cb 0.28 -1.22 -0.03 0.00 1.12 0.00 0.00 29.99 30.13 2jr5 n HIS 91 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jr5 s HIS 92 N -1.60 2.64 -0.25 4.41 5.04 -1.26 -4.72 115.29 119.54 2jr5 s HIS 92 Ca 0.00 -0.61 -0.09 0.00 -1.54 0.00 0.00 55.06 52.82 2jr5 s HIS 92 Cb 0.00 -4.42 -0.12 0.00 0.04 0.00 0.00 32.58 28.08 2jr5 s HIS 92 CO 0.00 -1.76 -0.30 0.72 -2.34 0.00 0.00 174.74 171.06 2jr5 n HIS 93 N 8.05 0.00 0.25 3.88 8.25 -1.26 -4.89 115.22 129.50 2jr5 n HIS 93 Ca 0.07 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.56 2jr5 n HIS 93 Cb 0.48 -0.92 0.03 0.00 1.12 0.00 0.00 29.99 30.69 2jr5 n HIS 93 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56