#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 1.49 0.91 1.12 1.51 -1.26 -4.95 117.35 116.17 2jr5 s TYR 2 Ca 0.00 -0.15 -0.12 0.00 -1.01 0.00 0.00 57.07 55.80 2jr5 s TYR 2 Cb 0.00 -4.12 0.14 0.00 -0.11 0.00 0.00 41.96 37.87 2jr5 s TYR 2 CO 0.00 -4.86 1.10 0.95 -1.11 0.00 0.00 175.55 171.64 2jr5 s THR 3 N 4.78 2.43 0.17 -0.71 -4.23 -1.26 -4.79 115.64 112.03 2jr5 s THR 3 Ca 0.85 0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 61.38 2jr5 s THR 3 Cb -0.38 -2.73 0.06 0.00 1.34 0.00 0.00 72.50 70.79 2jr5 s THR 3 CO 0.37 -0.18 1.68 0.00 -0.54 0.00 0.00 174.62 175.95 2jr5 h ALA 4 N -1.56 0.75 -0.86 3.99 0.00 -1.99 0.42 119.26 120.01 2jr5 h ALA 4 Ca -0.51 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 2jr5 h ALA 4 Cb 1.30 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 2jr5 h ALA 4 CO 0.58 0.44 0.41 1.49 0.00 0.00 0.00 179.25 182.17 2jr5 h GLU 5 N 0.81 1.24 -0.06 0.00 4.22 -2.01 -2.19 114.58 116.59 2jr5 h GLU 5 Ca 0.18 -0.18 -0.11 0.00 0.08 0.00 0.00 59.36 59.33 2jr5 h GLU 5 Cb 0.32 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2jr5 h GLU 5 CO -0.00 0.95 -0.46 0.37 -2.18 0.00 0.00 179.01 177.68 2jr5 h GLN 6 N 1.22 0.15 -0.36 1.92 4.15 -1.83 -2.55 115.11 117.81 2jr5 h GLN 6 Ca 0.29 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.62 2jr5 h GLN 6 Cb 0.12 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 2jr5 h GLN 6 CO -0.04 0.59 0.13 0.87 -1.93 0.00 0.00 178.83 178.45 2jr5 h LYS 7 N 0.12 0.51 -0.50 1.69 1.57 -0.30 -1.70 116.57 117.97 2jr5 h LYS 7 Ca 0.01 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2jr5 h LYS 7 Cb 0.87 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 2jr5 h LYS 7 CO 0.07 0.44 0.14 0.00 -0.57 0.00 0.00 179.45 179.52 2jr5 h ALA 8 N 1.64 1.30 -0.10 3.86 0.00 -1.11 -1.39 119.26 123.46 2jr5 h ALA 8 Ca 0.12 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2jr5 h ALA 8 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2jr5 h ALA 8 CO -0.01 0.50 -0.32 0.00 0.00 0.00 0.00 179.25 179.41 2jr5 h ARG 9 N 0.73 0.19 -0.45 0.00 3.08 -1.29 -1.55 114.38 115.09 2jr5 h ARG 9 Ca 0.17 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 2jr5 h ARG 9 Cb 0.25 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2jr5 h ARG 9 CO -0.01 0.50 0.10 0.82 -1.07 0.00 0.00 179.97 180.31 2jr5 h ILE 10 N 0.17 1.24 -0.86 2.04 2.04 -0.81 -2.32 117.51 119.00 2jr5 h ILE 10 Ca 0.02 -0.84 0.06 0.00 1.00 0.00 0.00 64.86 65.10 2jr5 h ILE 10 Cb 0.66 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 2jr5 h ILE 10 CO 0.05 0.30 0.54 0.11 0.00 0.00 0.00 178.15 179.14 2jr5 h LYS 11 N 0.60 0.97 0.00 2.37 1.57 -0.61 -0.48 116.57 120.98 2jr5 h LYS 11 Ca 0.14 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2jr5 h LYS 11 Cb 0.34 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 2jr5 h LYS 11 CO 0.00 0.64 -0.14 -1.49 -0.57 0.00 0.00 179.45 177.90 2jr5 h TRP 12 N 1.00 0.00 -0.09 -1.35 4.06 -1.04 -1.98 115.95 116.56 2jr5 h TRP 12 Ca 0.37 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 61.12 2jr5 h TRP 12 Cb 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 2jr5 h TRP 12 CO -0.03 0.14 -0.79 0.00 -3.56 0.00 0.00 178.44 174.20 2jr5 h ALA 13 N 1.86 0.45 0.00 1.49 0.00 -0.56 -2.92 119.26 119.59 2jr5 h ALA 13 Ca -0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 2jr5 h ALA 13 Cb 0.30 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2jr5 h ALA 13 CO 0.02 0.74 -0.15 0.00 0.00 0.00 0.00 179.25 179.86 2jr5 n ARG 15 N -3.75 0.67 -3.27 0.00 5.12 -0.92 -4.31 116.66 110.20 2jr5 n ARG 15 Ca -0.02 0.02 -0.45 0.00 -1.93 0.00 0.00 57.85 55.47 2jr5 n ARG 15 Cb 0.26 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.00 2jr5 n ARG 15 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2jr5 s ARG 16 N -2.15 3.01 0.00 5.56 1.81 -0.33 -4.72 118.95 122.12 2jr5 s ARG 16 Ca 0.34 -1.49 0.00 0.00 -1.72 0.00 0.00 55.73 52.86 2jr5 s ARG 16 Cb 0.17 -4.24 0.00 0.00 -0.45 0.00 0.00 34.95 30.43 2jr5 s ARG 16 CO 0.31 -1.31 0.00 0.41 -0.68 0.00 0.00 175.30 174.03 2jr5 n GLY 17 N 5.24 1.14 2.01 -3.53 0.00 -1.26 -4.71 105.19 104.08 2jr5 n GLY 17 Ca -0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 2jr5 n GLY 17 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2jr5 n MET 18 N 0.00 2.04 -0.32 1.61 0.00 -1.26 -4.65 117.12 114.54 2jr5 n MET 18 Ca 0.00 -1.03 0.06 0.00 0.00 0.00 0.00 57.70 56.73 2jr5 n MET 18 Cb 0.00 -2.02 0.22 0.00 0.00 0.00 0.00 33.22 31.42 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 5.05 0.73 -0.32 3.17 3.38 -1.84 0.22 115.31 125.70 2jr5 h LEU 19 Ca 0.21 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 2jr5 h LEU 19 Cb 1.48 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.16 2jr5 h LEU 19 CO 0.27 0.37 -0.07 -0.33 0.09 0.00 0.00 178.44 178.77 2jr5 h GLU 20 N 0.81 0.00 0.00 1.13 5.08 -1.94 -3.14 114.58 116.53 2jr5 h GLU 20 Ca 0.47 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.69 2jr5 h GLU 20 Cb 0.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2jr5 h GLU 20 CO -0.30 0.07 -1.04 -0.07 -1.00 0.00 0.00 179.01 176.67 2jr5 h LEU 21 N 0.00 0.00 -0.64 1.33 3.38 -1.15 -3.34 115.31 114.89 2jr5 h LEU 21 Ca -0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 2jr5 h LEU 21 Cb 0.95 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.61 2jr5 h LEU 21 CO 0.01 0.52 0.21 -0.78 0.09 0.00 0.00 178.44 178.49 2jr5 h ASP 22 N 0.00 0.16 0.55 -0.43 1.82 -0.66 0.51 116.42 118.37 2jr5 h ASP 22 Ca -0.09 0.10 -0.08 0.00 -0.39 0.00 0.00 57.03 56.56 2jr5 h ASP 22 Cb 1.48 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 41.57 2jr5 h ASP 22 CO 0.05 0.08 -0.40 0.58 -1.61 0.00 0.00 179.24 177.95 2jr5 h VAL 23 N 0.37 1.13 0.07 2.25 2.07 -1.69 -2.50 116.25 117.93 2jr5 h VAL 23 Ca 0.34 -1.44 -0.22 0.00 0.82 0.00 0.00 66.70 66.19 2jr5 h VAL 23 Cb 0.47 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 2jr5 h VAL 23 CO -0.36 0.39 -1.15 0.58 0.02 0.00 0.00 177.57 177.05 2jr5 h VAL 24 N 0.00 1.13 -0.15 2.57 2.07 -1.25 -3.38 116.25 117.23 2jr5 h VAL 24 Ca -0.00 -2.34 -0.12 0.00 0.82 0.00 0.00 66.70 65.06 2jr5 h VAL 24 Cb 0.78 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 33.24 2jr5 h VAL 24 CO 0.05 0.59 -0.44 0.40 0.02 0.00 0.00 177.57 178.19 2jr5 h ILE 25 N -0.59 1.32 -0.19 4.57 2.04 -0.11 -3.24 117.51 121.31 2jr5 h ILE 25 Ca -0.27 -1.62 0.06 0.00 1.00 0.00 0.00 64.86 64.03 2jr5 h ILE 25 Cb 1.52 1.69 -0.07 0.00 -0.74 0.00 0.00 36.82 39.23 2jr5 h ILE 25 CO -0.02 0.49 -0.28 -0.03 0.00 0.00 0.00 178.15 178.32 2jr5 h MET 26 N 0.30 -0.30 0.00 2.37 4.05 -1.61 0.28 114.93 120.02 2jr5 h MET 26 Ca 0.02 0.02 -0.12 0.00 -0.28 0.00 0.00 59.70 59.34 2jr5 h MET 26 Cb 0.90 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.76 2jr5 h MET 26 CO 0.08 -0.20 -0.59 -1.35 0.23 0.00 0.00 176.91 175.08 2jr5 h PRO 27 N -0.31 0.00 -0.32 0.39 0.11 -1.77 -3.18 132.00 126.91 2jr5 h PRO 27 Ca 0.12 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.14 2jr5 h PRO 27 Cb 0.50 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 2jr5 h PRO 27 CO -0.37 0.59 -0.15 0.74 -0.21 0.00 0.00 178.00 178.60 2jr5 h PHE 28 N 0.00 0.77 -0.96 0.65 -1.00 -1.36 -3.00 116.94 112.03 2jr5 h PHE 28 Ca -0.01 -0.19 0.08 0.00 2.81 0.00 0.00 57.97 60.66 2jr5 h PHE 28 Cb 1.06 -0.18 -0.07 0.00 3.61 0.00 0.00 35.95 40.37 2jr5 h PHE 28 CO 0.00 0.88 0.60 0.35 -1.61 0.00 0.00 178.31 178.53 2jr5 h PHE 29 N 0.44 1.11 -0.77 -0.55 3.57 -0.48 0.13 116.94 120.39 2jr5 h PHE 29 Ca 0.07 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 2jr5 h PHE 29 Cb 0.67 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 2jr5 h PHE 29 CO 0.06 0.54 0.46 0.93 -2.23 0.00 0.00 178.31 178.07 2jr5 h GLU 30 N 1.06 1.04 0.11 1.11 5.08 -1.51 0.21 114.58 121.69 2jr5 h GLU 30 Ca 0.43 -0.09 -0.31 0.00 -1.00 0.00 0.00 59.36 58.38 2jr5 h GLU 30 Cb 0.24 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2jr5 h GLU 30 CO -0.20 0.74 -1.61 1.05 -1.00 0.00 0.00 179.01 177.99 2jr5 h GLU 31 N 1.05 0.23 0.00 2.33 4.11 -1.42 -3.36 114.58 117.52 2jr5 h GLU 31 Ca 0.28 -0.39 -0.05 0.00 0.07 0.00 0.00 59.36 59.26 2jr5 h GLU 31 Cb -0.04 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2jr5 h GLU 31 CO -0.05 1.07 -0.28 0.00 0.07 0.00 0.00 179.01 179.82 2jr5 h PHE 33 N 0.00 0.60 -0.76 0.00 3.57 -0.72 -0.35 116.94 119.27 2jr5 h PHE 33 Ca -0.01 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.58 2jr5 h PHE 33 Cb 1.18 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.68 2jr5 h PHE 33 CO 0.00 0.26 0.50 0.22 -2.23 0.00 0.00 178.31 177.06 2jr5 h ASP 34 N 0.54 0.68 0.08 0.41 1.82 -1.78 -0.56 116.42 117.60 2jr5 h ASP 34 Ca 0.35 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.00 2jr5 h ASP 34 Cb 0.64 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.51 2jr5 h ASP 34 CO -0.12 0.43 -0.45 -1.20 -1.61 0.00 0.00 179.24 176.29 2jr5 n SER 35 N -4.49 1.62 -4.57 2.28 7.64 -0.29 -4.81 113.62 111.00 2jr5 n SER 35 Ca 0.12 -1.26 -0.41 0.00 1.01 0.00 0.00 58.87 58.32 2jr5 n SER 35 Cb 0.25 0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 63.83 2jr5 n SER 35 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jr5 s LEU 36 N -2.53 3.36 1.06 -3.43 1.43 -0.22 -4.99 118.68 113.36 2jr5 s LEU 36 Ca 0.19 0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 53.28 2jr5 s LEU 36 Cb 0.18 -2.96 0.22 0.00 0.03 0.00 0.00 46.19 43.66 2jr5 s LEU 36 CO 0.58 -1.73 1.11 0.42 0.23 0.00 0.00 176.35 176.96 2jr5 s THR 37 N 6.00 1.87 0.32 5.49 -4.23 -1.26 -4.71 115.64 119.12 2jr5 s THR 37 Ca 0.49 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.02 2jr5 s THR 37 Cb -0.10 -2.53 0.28 0.00 1.34 0.00 0.00 72.50 71.49 2jr5 s THR 37 CO 0.23 0.00 1.92 -0.33 -0.54 0.00 0.00 174.62 175.90 2jr5 h GLU 38 N -2.09 0.94 -0.09 3.99 4.39 -1.97 0.16 114.58 119.89 2jr5 h GLU 38 Ca -0.51 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.12 2jr5 h GLU 38 Cb 1.32 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.75 2jr5 h GLU 38 CO 0.50 0.62 0.03 0.77 -1.16 0.00 0.00 179.01 179.77 2jr5 h SER 39 N 0.96 0.14 -0.73 1.42 0.02 -1.98 0.26 113.55 113.64 2jr5 h SER 39 Ca 0.37 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 2jr5 h SER 39 Cb 0.21 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 2jr5 h SER 39 CO -0.14 0.32 0.46 -0.33 -1.14 0.00 0.00 176.83 176.01 2jr5 h GLU 40 N -0.05 0.86 -0.79 3.45 4.39 -1.69 -1.52 114.58 119.23 2jr5 h GLU 40 Ca 0.03 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 2jr5 h GLU 40 Cb 0.24 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 2jr5 h GLU 40 CO -0.00 0.57 0.32 1.96 -1.16 0.00 0.00 179.01 180.70 2jr5 h GLN 41 N 0.89 1.17 -0.28 2.33 1.08 -0.56 -2.41 115.11 117.34 2jr5 h GLN 41 Ca 0.30 -0.21 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 2jr5 h GLN 41 Cb 0.03 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.26 2jr5 h GLN 41 CO -0.12 0.94 0.08 0.22 -0.95 0.00 0.00 178.83 179.01 2jr5 h ASP 42 N 1.15 0.41 -0.87 1.46 3.58 0.45 0.12 116.42 122.73 2jr5 h ASP 42 Ca 0.26 -0.21 0.01 0.00 0.42 0.00 0.00 57.03 57.51 2jr5 h ASP 42 Cb 0.20 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.10 2jr5 h ASP 42 CO -0.02 0.52 0.58 0.44 -2.88 0.00 0.00 179.24 177.87 2jr5 h ASP 43 N 0.29 1.00 -0.28 2.28 5.19 -1.25 -0.27 116.42 123.38 2jr5 h ASP 43 Ca 0.09 -0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.42 2jr5 h ASP 43 Cb 0.26 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 2jr5 h ASP 43 CO -0.00 0.73 -0.04 0.15 -3.12 0.00 0.00 179.24 176.95 2jr5 h PHE 44 N 1.18 0.58 -0.69 4.55 3.57 -1.07 -2.71 116.94 122.35 2jr5 h PHE 44 Ca 0.32 -0.12 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 2jr5 h PHE 44 Cb -0.13 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.43 2jr5 h PHE 44 CO -0.01 0.71 0.19 0.28 -2.23 0.00 0.00 178.31 177.24 2jr5 h VAL 45 N 0.29 1.26 -0.96 1.41 2.07 -0.44 -1.67 116.25 118.20 2jr5 h VAL 45 Ca 0.07 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.67 2jr5 h VAL 45 Cb 0.50 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 2jr5 h VAL 45 CO 0.02 0.36 0.63 0.00 0.02 0.00 0.00 177.57 178.60 2jr5 h ALA 46 N 1.08 1.33 -0.01 1.67 0.00 -1.00 -2.77 119.26 119.57 2jr5 h ALA 46 Ca 0.22 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jr5 h ALA 46 Cb 0.35 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2jr5 h ALA 46 CO -0.00 0.61 -0.00 -0.07 0.00 0.00 0.00 179.25 179.79 2jr5 h LEU 47 N 1.28 0.02 -2.13 0.00 3.38 -1.18 -3.33 115.31 113.34 2jr5 h LEU 47 Ca 0.36 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jr5 h LEU 47 Cb -0.12 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2jr5 h LEU 47 CO -0.08 0.41 0.17 -0.07 0.09 0.00 0.00 178.44 178.95 2jr5 h LEU 48 N -0.37 0.00 -0.02 1.67 3.38 -1.01 -2.98 115.31 115.98 2jr5 h LEU 48 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jr5 h LEU 48 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2jr5 h LEU 48 CO 0.00 0.00 0.01 -0.33 0.09 0.00 0.00 178.44 178.21 2jr5 h GLU 49 N 0.00 0.03 -1.66 1.13 5.08 -1.67 -3.44 114.58 114.05 2jr5 h GLU 49 Ca 0.00 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 2jr5 h GLU 49 Cb 0.33 -0.01 -0.20 0.00 0.50 0.00 0.00 28.75 29.37 2jr5 h GLU 49 CO 0.00 0.12 -0.18 -1.12 -1.00 0.00 0.00 179.01 176.83 2jr5 s SER 50 N -5.32 -1.22 0.18 1.42 0.01 -1.13 -5.02 113.70 102.63 2jr5 s SER 50 Ca -0.14 1.33 0.00 0.00 1.31 0.00 0.00 55.95 58.45 2jr5 s SER 50 Cb 0.05 2.25 0.00 0.00 0.21 0.00 0.00 66.02 68.53 2jr5 s SER 50 CO 0.67 -0.23 0.00 -0.67 0.41 0.00 0.00 173.24 173.41 2jr5 n ASP 51 N 5.44 -6.70 -3.86 2.44 2.03 -1.26 -4.97 116.55 109.67 2jr5 n ASP 51 Ca -0.08 0.90 -0.29 0.00 0.52 0.00 0.00 54.79 55.83 2jr5 n ASP 51 Cb 0.50 -3.42 -0.10 0.00 -0.72 0.00 0.00 41.12 37.37 2jr5 n ASP 51 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2jr5 n ASP 52 N 0.86 3.44 -0.02 1.67 9.92 -1.26 -4.84 116.55 126.32 2jr5 n ASP 52 Ca 0.00 -3.25 -0.16 0.00 -0.53 0.00 0.00 54.79 50.85 2jr5 n ASP 52 Cb 0.00 -0.80 -0.10 0.00 -0.64 0.00 0.00 41.12 39.58 2jr5 n ASP 52 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2jr5 h PRO 53 N 5.27 0.44 -0.56 -0.24 0.13 -1.95 -2.28 132.00 132.81 2jr5 h PRO 53 Ca 0.16 -0.40 0.02 0.00 -0.87 0.00 0.00 66.00 64.91 2jr5 h PRO 53 Cb 0.74 0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.93 2jr5 h PRO 53 CO 0.78 1.04 0.35 -0.44 -0.23 0.00 0.00 178.00 179.50 2jr5 h ASP 54 N -0.02 0.58 -0.01 1.44 5.19 -1.98 -0.59 116.42 121.05 2jr5 h ASP 54 Ca -0.05 -0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.36 2jr5 h ASP 54 Cb 1.17 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.55 2jr5 h ASP 54 CO 0.10 0.42 0.01 0.25 -3.12 0.00 0.00 179.24 176.89 2jr5 h LEU 55 N 0.70 0.01 -1.03 1.55 6.46 -1.93 -1.93 115.31 119.15 2jr5 h LEU 55 Ca 0.22 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 2jr5 h LEU 55 Cb -0.02 -0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 39.86 2jr5 h LEU 55 CO -0.08 0.04 0.62 0.15 -0.62 0.00 0.00 178.44 178.55 2jr5 h PHE 56 N -0.02 1.22 -0.16 1.25 3.57 -1.04 -2.42 116.94 119.34 2jr5 h PHE 56 Ca 0.00 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 2jr5 h PHE 56 Cb 0.04 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 38.37 2jr5 h PHE 56 CO -0.07 0.78 -0.39 0.00 -2.23 0.00 0.00 178.31 176.40 2jr5 h ALA 57 N 1.38 0.26 0.00 2.41 0.00 -0.93 -2.93 119.26 119.45 2jr5 h ALA 57 Ca 0.35 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 2jr5 h ALA 57 Cb -0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2jr5 h ALA 57 CO -0.07 0.35 -0.51 -1.49 0.00 0.00 0.00 179.25 177.54 2jr5 h TRP 58 N 0.18 0.00 -0.36 0.00 4.06 -1.21 0.62 115.95 119.24 2jr5 h TRP 58 Ca -0.00 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.81 2jr5 h TRP 58 Cb 1.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.16 2jr5 h TRP 58 CO 0.10 0.51 -0.30 0.28 -3.56 0.00 0.00 178.44 175.46 2jr5 h VAL 59 N 0.00 1.28 0.00 1.49 2.07 -1.45 -3.11 116.25 116.53 2jr5 h VAL 59 Ca -0.01 -1.47 -0.04 0.00 0.82 0.00 0.00 66.70 66.00 2jr5 h VAL 59 Cb 0.92 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2jr5 h VAL 59 CO 0.07 0.48 -0.21 0.00 0.02 0.00 0.00 177.57 177.93 2jr5 h MET 60 N 0.63 0.00 -0.00 1.57 -0.00 -1.33 -3.47 114.93 112.32 2jr5 h MET 60 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.76 2jr5 h MET 60 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.48 2jr5 h MET 60 CO 0.08 0.21 0.00 0.41 -0.00 0.00 0.00 176.91 177.60 2jr5 n GLY 61 N 0.87 1.89 2.52 -3.00 0.00 -0.60 -5.01 105.19 101.86 2jr5 n GLY 61 Ca 0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2jr5 n GLY 61 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2jr5 n HIS 62 N -1.00 1.95 0.00 1.61 -0.00 0.11 -5.02 115.22 112.86 2jr5 n HIS 62 Ca 0.00 -2.36 0.00 0.00 -0.00 0.00 0.00 57.72 55.36 2jr5 n HIS 62 Cb 0.01 -0.27 0.00 0.00 -0.00 0.00 0.00 29.99 29.73 2jr5 n HIS 62 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2jr5 n GLY 63 N -0.55 0.90 0.94 1.57 0.00 -1.15 -4.68 105.19 102.21 2jr5 n GLY 63 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2jr5 n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jr5 n ARG 64 N 0.00 -2.64 -3.75 1.61 1.74 -1.26 -4.93 116.66 107.43 2jr5 n ARG 64 Ca 0.00 1.92 -0.10 0.00 -0.77 0.00 0.00 57.85 58.91 2jr5 n ARG 64 Cb 0.00 -2.13 -0.04 0.00 -1.02 0.00 0.00 32.46 29.27 2jr5 n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jr5 h GLU 66 N 2.22 0.26 -4.80 0.00 4.39 -2.04 -3.42 114.58 111.19 2jr5 h GLU 66 Ca -0.29 -0.33 -0.68 0.00 0.34 0.00 0.00 59.36 58.39 2jr5 h GLU 66 Cb 1.26 0.11 -0.31 0.00 -0.10 0.00 0.00 28.75 29.71 2jr5 h GLU 66 CO 0.38 1.07 -0.69 1.21 -1.16 0.00 0.00 179.01 179.82 2jr5 s ASN 67 N -7.02 4.80 0.21 1.42 2.47 -1.26 -4.96 114.94 110.60 2jr5 s ASN 67 Ca -0.04 -1.06 0.25 0.00 0.42 0.00 0.00 52.86 52.43 2jr5 s ASN 67 Cb 0.09 -1.74 0.90 0.00 -1.45 0.00 0.00 41.25 39.05 2jr5 s ASN 67 CO 0.85 -0.22 1.74 0.18 -3.72 0.00 0.00 177.10 175.94 2jr5 n LEU 68 N 4.69 0.66 -0.31 3.21 4.77 -1.26 -2.70 117.00 126.07 2jr5 n LEU 68 Ca -0.14 0.61 -0.01 0.00 -0.03 0.00 0.00 56.01 56.44 2jr5 n LEU 68 Cb 0.45 -0.45 0.17 0.00 -2.33 0.00 0.00 43.42 41.26 2jr5 n LEU 68 CO 0.28 -0.34 1.27 1.23 -1.33 0.00 0.00 177.39 178.50 2jr5 h GLY 69 N 3.48 1.26 0.99 -0.72 0.00 -1.99 0.26 103.07 106.35 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 0.46 0.34 1.41 0.00 0.00 0.00 176.54 178.75 2jr5 h LEU 70 N 1.21 0.75 -1.00 3.11 3.38 -1.87 -2.69 115.31 118.20 2jr5 h LEU 70 Ca 0.33 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 2jr5 h LEU 70 Cb -0.13 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 2jr5 h LEU 70 CO -0.07 0.62 -0.44 0.00 0.09 0.00 0.00 178.44 178.64 2jr5 h ALA 71 N 1.16 1.16 -0.48 1.53 0.00 -1.41 -3.06 119.26 118.16 2jr5 h ALA 71 Ca 0.21 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.74 2jr5 h ALA 71 Cb 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2jr5 h ALA 71 CO -0.04 0.59 0.26 0.00 0.00 0.00 0.00 179.25 180.06 2jr5 h ALA 72 N 1.45 0.61 0.00 0.00 0.00 -0.18 0.48 119.26 121.62 2jr5 h ALA 72 Ca 0.01 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2jr5 h ALA 72 Cb 0.83 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2jr5 h ALA 72 CO 0.06 -0.08 -0.60 0.00 0.00 0.00 0.00 179.25 178.63 2jr5 h MET 73 N 0.51 0.00 -0.43 0.00 -0.00 -1.53 -3.17 114.93 110.31 2jr5 h MET 73 Ca 0.21 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.76 2jr5 h MET 73 Cb 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.68 2jr5 h MET 73 CO -0.13 0.60 -0.31 0.28 -0.00 0.00 0.00 176.91 177.36 2jr5 h VAL 74 N 0.00 1.27 -0.51 -0.10 2.07 -1.24 -3.04 116.25 114.70 2jr5 h VAL 74 Ca -0.01 -1.48 0.02 0.00 0.82 0.00 0.00 66.70 66.06 2jr5 h VAL 74 Cb 1.17 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 2jr5 h VAL 74 CO 0.08 0.50 0.34 -0.78 0.02 0.00 0.00 177.57 177.73 2jr5 h ASP 75 N 0.81 0.53 -0.67 0.57 3.58 -0.91 -0.04 116.42 120.30 2jr5 h ASP 75 Ca 0.08 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 2jr5 h ASP 75 Cb 0.90 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.79 2jr5 h ASP 75 CO 0.08 0.38 0.31 0.11 -2.88 0.00 0.00 179.24 177.23 2jr5 h LYS 76 N 0.62 1.00 -0.41 0.28 1.57 -1.56 -0.84 116.57 117.24 2jr5 h LYS 76 Ca 0.20 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 2jr5 h LYS 76 Cb 0.02 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 2jr5 h LYS 76 CO -0.05 0.79 -0.28 0.82 -0.57 0.00 0.00 179.45 180.16 2jr5 h ILE 77 N 0.99 1.27 -0.75 1.86 2.04 -1.05 -2.96 117.51 118.91 2jr5 h ILE 77 Ca 0.24 -1.44 0.01 0.00 1.00 0.00 0.00 64.86 64.66 2jr5 h ILE 77 Cb 0.14 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 2jr5 h ILE 77 CO -0.03 0.48 0.49 0.58 0.00 0.00 0.00 178.15 179.68 2jr5 h VAL 78 N 0.74 1.19 -0.92 1.67 2.07 -0.46 -0.03 116.25 120.52 2jr5 h VAL 78 Ca 0.09 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.32 2jr5 h VAL 78 Cb 0.84 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 2jr5 h VAL 78 CO 0.07 0.19 0.57 0.00 0.02 0.00 0.00 177.57 178.43 2jr5 h ALA 79 N 1.27 1.28 -0.23 1.67 0.00 -1.05 0.12 119.26 122.32 2jr5 h ALA 79 Ca 0.27 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.98 2jr5 h ALA 79 Cb -0.11 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.44 2jr5 h ALA 79 CO -0.06 0.31 -0.64 1.25 0.00 0.00 0.00 179.25 180.11 2jr5 h HIS 80 N 1.02 1.09 -0.19 0.00 6.17 -1.22 -2.95 115.15 119.07 2jr5 h HIS 80 Ca 0.41 -0.43 -0.09 0.00 0.71 0.00 0.00 60.37 60.97 2jr5 h HIS 80 Cb 0.22 -0.19 -0.01 0.00 2.52 0.00 0.00 27.41 29.94 2jr5 h HIS 80 CO -0.02 1.26 -0.28 -2.95 0.71 0.00 0.00 177.93 176.65 2jr5 h ASN 81 N 0.62 0.36 -0.89 3.26 7.08 -0.37 -0.71 115.58 124.93 2jr5 h ASN 81 Ca -0.01 -0.12 0.08 0.00 -3.08 0.00 0.00 56.30 53.16 2jr5 h ASN 81 Cb 1.26 -0.10 -0.06 0.00 -2.08 0.00 0.00 38.32 37.34 2jr5 h ASN 81 CO 0.14 0.64 0.58 0.25 -2.08 0.00 0.00 177.43 176.96 2jr5 h LEU 82 N 0.32 0.85 -0.91 6.14 5.85 -0.76 0.27 115.31 127.07 2jr5 h LEU 82 Ca 0.05 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 2jr5 h LEU 82 Cb 0.66 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2jr5 h LEU 82 CO 0.05 0.53 -0.50 0.28 -0.34 0.00 0.00 178.44 178.46 2jr5 h SER 83 N 0.96 0.12 -0.20 1.25 0.02 -1.01 -2.30 113.55 112.39 2jr5 h SER 83 Ca 0.40 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 61.20 2jr5 h SER 83 Cb 0.29 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2jr5 h SER 83 CO -0.16 0.60 -0.16 0.11 -1.14 0.00 0.00 176.83 176.08 2jr5 h LYS 84 N 0.09 0.61 -0.31 3.45 1.57 0.21 -1.76 116.57 120.43 2jr5 h LYS 84 Ca 0.00 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.44 2jr5 h LYS 84 Cb 0.92 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 2jr5 h LYS 84 CO 0.07 0.75 -0.36 0.28 -0.57 0.00 0.00 179.45 179.61 2jr5 h VAL 85 N 0.55 1.29 0.00 0.50 2.07 -0.66 0.56 116.25 120.56 2jr5 h VAL 85 Ca 0.09 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.09 2jr5 h VAL 85 Cb 0.59 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2jr5 h VAL 85 CO 0.04 0.49 0.00 0.08 0.02 0.00 0.00 177.57 178.20 2jr5 h ARG 86 N 0.58 0.00 0.02 1.57 0.11 -1.26 -3.25 114.38 112.15 2jr5 h ARG 86 Ca 0.06 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.87 2jr5 h ARG 86 Cb 0.89 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.94 2jr5 h ARG 86 CO 0.08 0.00 -1.45 -0.11 0.10 0.00 0.00 179.97 178.59 2jr5 n LEU 87 N -2.57 2.01 0.00 0.08 7.94 -0.68 -4.98 117.00 118.80 2jr5 n LEU 87 Ca 0.05 0.38 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 2jr5 n LEU 87 Cb 0.45 -0.99 0.00 0.00 0.53 0.00 0.00 43.42 43.41 2jr5 n LEU 87 CO 0.31 0.39 0.00 -0.62 -1.11 0.00 0.00 177.39 176.36 2jr5 n GLU 88 N -4.25 0.00 -2.73 1.96 1.02 0.19 -2.64 120.64 114.19 2jr5 n GLU 88 Ca -0.33 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 56.77 2jr5 n GLU 88 Cb 0.76 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 32.24 2jr5 n GLU 88 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2jr5 n HIS 89 N 0.00 0.22 0.00 -0.32 1.44 -1.26 -4.84 115.22 110.46 2jr5 n HIS 89 Ca 0.00 -2.28 0.01 0.00 -2.01 0.00 0.00 57.72 53.44 2jr5 n HIS 89 Cb 0.00 0.23 0.33 0.00 0.12 0.00 0.00 29.99 30.67 2jr5 n HIS 89 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2jr5 h HIS 90 N 2.43 0.53 -4.30 -1.40 3.86 -1.90 -3.40 115.15 110.96 2jr5 h HIS 90 Ca -0.19 -0.04 -0.54 0.00 -1.16 0.00 0.00 60.37 58.44 2jr5 h HIS 90 Cb 1.25 -0.16 -0.29 0.00 1.06 0.00 0.00 27.41 29.27 2jr5 h HIS 90 CO 0.37 0.48 -0.83 -3.38 0.86 0.00 0.00 177.93 175.42 2jr5 s HIS 91 N -5.08 1.54 -0.05 2.45 -3.43 -1.26 -5.14 115.29 104.31 2jr5 s HIS 91 Ca -0.08 -0.29 -0.01 0.00 -0.80 0.00 0.00 55.06 53.88 2jr5 s HIS 91 Cb 0.16 -0.99 0.03 0.00 -1.43 0.00 0.00 32.58 30.35 2jr5 s HIS 91 CO 0.76 -0.02 0.02 -1.58 -2.00 0.00 0.00 174.74 171.91 2jr5 s HIS 92 N -0.42 0.38 -0.14 0.38 2.46 -1.26 -5.05 115.29 111.65 2jr5 s HIS 92 Ca 0.07 0.01 -0.32 0.00 0.47 0.00 0.00 55.06 55.29 2jr5 s HIS 92 Cb -0.07 -0.58 0.13 0.00 -0.13 0.00 0.00 32.58 31.93 2jr5 s HIS 92 CO -0.01 -0.22 1.09 -3.38 -2.47 0.00 0.00 174.74 169.75 2jr5 s HIS 93 N 1.71 -0.23 -2.00 3.88 -3.43 -1.26 -5.22 115.29 108.75 2jr5 s HIS 93 Ca 0.00 0.21 0.28 0.00 -0.80 0.00 0.00 55.06 54.76 2jr5 s HIS 93 Cb -0.13 0.51 1.69 0.00 -1.43 0.00 0.00 32.58 33.22 2jr5 s HIS 93 CO -0.03 -0.32 2.03 -2.39 -2.00 0.00 0.00 174.74 172.03