#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 1.46 0.76 2.03 2.02 -1.26 -5.07 117.35 117.29 2jr5 s TYR 2 Ca 0.00 -1.59 -0.08 0.00 -0.37 0.00 0.00 57.07 55.03 2jr5 s TYR 2 Cb 0.00 -1.57 0.17 0.00 -0.40 0.00 0.00 41.96 40.16 2jr5 s TYR 2 CO 0.00 -0.87 1.04 0.25 -1.57 0.00 0.00 175.55 174.40 2jr5 n THR 3 N 4.92 0.00 -0.36 -0.71 -2.24 -1.26 -4.77 114.28 109.86 2jr5 n THR 3 Ca -0.03 -1.11 0.05 0.00 -2.27 0.00 0.00 64.05 60.69 2jr5 n THR 3 Cb 0.42 -1.28 0.22 0.00 -2.10 0.00 0.00 70.33 67.59 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 -1.25 1.48 -0.52 6.98 0.00 -2.00 0.11 119.26 124.06 2jr5 h ALA 4 Ca -0.34 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2jr5 h ALA 4 Cb 1.06 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2jr5 h ALA 4 CO 0.29 0.32 0.32 0.93 0.00 0.00 0.00 179.25 181.11 2jr5 h GLU 5 N 1.07 0.71 -0.08 0.00 5.08 -2.01 -2.37 114.58 116.98 2jr5 h GLU 5 Ca 0.46 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.64 2jr5 h GLU 5 Cb 0.33 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2jr5 h GLU 5 CO -0.21 0.52 -0.46 1.96 -1.00 0.00 0.00 179.01 179.82 2jr5 h GLN 6 N 0.70 0.19 -0.89 2.33 7.50 -1.59 -2.55 115.11 120.80 2jr5 h GLN 6 Ca 0.19 -0.10 0.07 0.00 0.50 0.00 0.00 58.65 59.31 2jr5 h GLN 6 Cb -0.01 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 27.46 2jr5 h GLN 6 CO -0.04 0.62 0.55 0.87 -1.50 0.00 0.00 178.83 179.34 2jr5 h LYS 7 N 0.16 0.95 -0.25 1.46 1.79 -0.33 0.20 116.57 120.55 2jr5 h LYS 7 Ca 0.01 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.36 2jr5 h LYS 7 Cb 0.88 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.30 2jr5 h LYS 7 CO 0.07 0.63 -0.10 0.00 -1.08 0.00 0.00 179.45 178.97 2jr5 h ALA 8 N 1.44 0.34 -0.76 3.86 0.00 -1.22 -2.28 119.26 120.64 2jr5 h ALA 8 Ca 0.40 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2jr5 h ALA 8 Cb 0.24 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2jr5 h ALA 8 CO -0.20 0.18 0.40 0.00 0.00 0.00 0.00 179.25 179.63 2jr5 h ARG 9 N 0.23 1.08 -0.33 0.00 3.08 -0.94 0.12 114.38 117.63 2jr5 h ARG 9 Ca 0.06 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2jr5 h ARG 9 Cb 0.59 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2jr5 h ARG 9 CO 0.03 0.82 0.09 0.82 -1.07 0.00 0.00 179.97 180.67 2jr5 h ILE 10 N 1.07 1.21 -0.33 2.04 2.04 -0.64 -2.13 117.51 120.78 2jr5 h ILE 10 Ca 0.27 -0.69 -0.08 0.00 1.00 0.00 0.00 64.86 65.35 2jr5 h ILE 10 Cb 0.07 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2jr5 h ILE 10 CO -0.04 0.23 -0.15 0.11 0.00 0.00 0.00 178.15 178.30 2jr5 h LYS 11 N 0.37 0.58 -0.38 2.37 1.57 -0.99 -0.84 116.57 119.25 2jr5 h LYS 11 Ca 0.10 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2jr5 h LYS 11 Cb 0.27 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2jr5 h LYS 11 CO -0.00 0.72 0.23 -1.49 -0.57 0.00 0.00 179.45 178.34 2jr5 h TRP 12 N 0.53 0.49 -0.01 -1.35 4.06 -0.56 -2.34 115.95 116.77 2jr5 h TRP 12 Ca 0.09 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.05 2jr5 h TRP 12 Cb 0.57 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 28.56 2jr5 h TRP 12 CO 0.02 0.33 -0.14 0.00 -3.56 0.00 0.00 178.44 175.09 2jr5 n ALA 13 N -2.48 2.84 0.21 1.49 0.00 -0.61 -3.78 120.51 118.19 2jr5 n ALA 13 Ca 0.03 -0.48 0.09 0.00 0.00 0.00 0.00 53.44 53.07 2jr5 n ALA 13 Cb 0.08 -1.07 0.45 0.00 0.00 0.00 0.00 19.45 18.90 2jr5 n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jr5 n ARG 15 N -3.48 1.45 -0.39 0.00 1.74 -1.25 -4.14 116.66 110.59 2jr5 n ARG 15 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2jr5 n ARG 15 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.87 2jr5 n ARG 15 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2jr5 n ARG 16 N -0.46 -1.09 0.00 5.56 3.00 -1.26 -4.81 116.66 117.60 2jr5 n ARG 16 Ca 0.00 0.82 0.00 0.00 -0.00 0.00 0.00 57.85 58.67 2jr5 n ARG 16 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 32.46 31.52 2jr5 n ARG 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jr5 n GLY 17 N -1.16 1.84 2.93 5.14 0.00 -1.26 -4.81 105.19 107.87 2jr5 n GLY 17 Ca 0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 2jr5 n GLY 17 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2jr5 s MET 18 N 0.00 1.21 0.11 1.61 -2.45 -1.26 -4.96 119.30 113.56 2jr5 s MET 18 Ca 0.00 -0.21 -0.09 0.00 -1.25 0.00 0.00 55.69 54.14 2jr5 s MET 18 Cb 0.00 -1.16 -0.15 0.00 1.25 0.00 0.00 34.83 34.77 2jr5 s MET 18 CO 0.00 -0.09 1.26 -0.07 1.05 0.00 0.00 175.02 177.17 2jr5 h LEU 19 N 7.37 0.73 -1.66 4.11 3.38 -1.98 -3.08 115.31 124.17 2jr5 h LEU 19 Ca -0.33 -0.57 -0.04 0.00 0.09 0.00 0.00 57.88 57.03 2jr5 h LEU 19 Cb 1.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2jr5 h LEU 19 CO 0.44 1.37 -0.19 -0.33 0.09 0.00 0.00 178.44 179.82 2jr5 h GLU 20 N 0.33 0.00 -0.42 1.13 3.07 -1.96 -2.44 114.58 114.29 2jr5 h GLU 20 Ca -0.10 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.62 2jr5 h GLU 20 Cb 1.61 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.51 2jr5 h GLU 20 CO 0.18 0.19 -0.28 -0.07 -1.40 0.00 0.00 179.01 177.64 2jr5 h LEU 21 N 0.00 0.94 -0.71 1.33 3.38 -1.89 -3.11 115.31 115.26 2jr5 h LEU 21 Ca -0.00 -0.38 0.14 0.00 0.09 0.00 0.00 57.88 57.73 2jr5 h LEU 21 Cb 0.40 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 40.79 2jr5 h LEU 21 CO 0.03 1.15 0.21 -0.78 0.09 0.00 0.00 178.44 179.14 2jr5 h ASP 22 N 0.77 0.12 0.86 -0.43 3.58 -1.40 0.27 116.42 120.18 2jr5 h ASP 22 Ca 0.09 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.66 2jr5 h ASP 22 Cb 0.84 0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.03 2jr5 h ASP 22 CO 0.07 0.03 -0.20 1.33 -2.88 0.00 0.00 179.24 177.60 2jr5 n VAL 23 N -5.09 0.06 -0.05 2.25 0.24 -1.19 -4.02 118.33 110.53 2jr5 n VAL 23 Ca 0.13 -0.03 -0.06 0.00 -2.04 0.00 0.00 64.34 62.33 2jr5 n VAL 23 Cb 0.40 -0.24 -0.07 0.00 -1.47 0.00 0.00 33.84 32.46 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 -1.59 0.68 -0.22 3.34 0.24 -0.68 -4.59 118.33 115.51 2jr5 n VAL 24 Ca 0.06 -0.36 -0.07 0.00 -2.04 0.00 0.00 64.34 61.93 2jr5 n VAL 24 Cb 0.35 -0.82 0.03 0.00 -1.47 0.00 0.00 33.84 31.94 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 1.24 0.37 1.34 2.04 -0.64 -1.75 117.51 120.11 2jr5 h ILE 25 Ca -0.27 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 2jr5 h ILE 25 Cb 1.53 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 2jr5 h ILE 25 CO -0.01 0.31 -0.18 0.24 0.00 0.00 0.00 178.15 178.52 2jr5 h MET 26 N 0.88 -0.47 -0.87 2.37 2.86 -1.79 0.16 114.93 118.07 2jr5 h MET 26 Ca 0.20 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.91 2jr5 h MET 26 Cb 0.26 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 2jr5 h MET 26 CO -0.01 -0.26 0.56 -1.35 1.06 0.00 0.00 176.91 176.91 2jr5 h PRO 27 N -0.58 1.06 -0.50 -0.22 0.11 -1.80 -2.14 132.00 127.94 2jr5 h PRO 27 Ca -0.05 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.93 2jr5 h PRO 27 Cb 0.43 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 2jr5 h PRO 27 CO 0.08 0.70 0.03 0.74 -0.21 0.00 0.00 178.00 179.35 2jr5 h PHE 28 N 1.09 0.85 -0.57 0.65 -1.00 -1.16 -2.60 116.94 114.21 2jr5 h PHE 28 Ca 0.35 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 61.01 2jr5 h PHE 28 Cb 0.00 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 39.30 2jr5 h PHE 28 CO -0.02 0.77 0.31 0.35 -1.61 0.00 0.00 178.31 178.11 2jr5 h PHE 29 N 0.76 0.77 -0.92 -0.55 3.57 -0.12 0.16 116.94 120.61 2jr5 h PHE 29 Ca 0.15 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.72 2jr5 h PHE 29 Cb 0.41 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 38.83 2jr5 h PHE 29 CO 0.02 0.56 0.57 0.93 -2.23 0.00 0.00 178.31 178.16 2jr5 h GLU 30 N 0.76 0.96 0.04 1.11 5.08 -1.03 0.20 114.58 121.70 2jr5 h GLU 30 Ca 0.20 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2jr5 h GLU 30 Cb 0.04 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.07 2jr5 h GLU 30 CO -0.03 0.64 -0.02 0.93 -1.00 0.00 0.00 179.01 179.53 2jr5 h GLU 31 N 0.99 -0.05 0.00 2.33 5.08 -1.17 -3.36 114.58 118.41 2jr5 h GLU 31 Ca 0.42 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.73 2jr5 h GLU 31 Cb 0.27 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2jr5 h GLU 31 CO -0.21 0.60 -0.26 0.00 -1.00 0.00 0.00 179.01 178.15 2jr5 h PHE 33 N 0.00 1.04 0.00 0.00 3.57 -0.75 0.24 116.94 121.04 2jr5 h PHE 33 Ca -0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2jr5 h PHE 33 Cb 1.06 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.46 2jr5 h PHE 33 CO 0.00 0.40 -0.12 0.22 -2.23 0.00 0.00 178.31 176.58 2jr5 h ASP 34 N 0.90 0.00 0.01 0.41 3.58 -1.77 -3.24 116.42 116.31 2jr5 h ASP 34 Ca 0.48 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.56 2jr5 h ASP 34 Cb 0.57 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.55 2jr5 h ASP 34 CO -0.25 0.12 -2.41 -1.20 -2.88 0.00 0.00 179.24 172.62 2jr5 n SER 35 N -3.30 0.94 -4.75 2.28 7.64 0.18 -4.97 113.62 111.63 2jr5 n SER 35 Ca -0.00 -0.05 -0.40 0.00 1.01 0.00 0.00 58.87 59.43 2jr5 n SER 35 Cb 0.34 0.32 -0.05 0.00 -1.01 0.00 0.00 64.21 63.81 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 -5.99 4.59 0.78 -3.43 1.43 0.59 -5.06 118.68 111.60 2jr5 s LEU 36 Ca -0.21 2.12 -0.08 0.00 -1.03 0.00 0.00 54.13 54.94 2jr5 s LEU 36 Cb 0.07 -3.62 0.12 0.00 0.03 0.00 0.00 46.19 42.80 2jr5 s LEU 36 CO 0.73 -0.02 1.10 0.42 0.23 0.00 0.00 176.35 178.80 2jr5 s THR 37 N -1.11 2.16 0.16 5.49 -4.23 -1.26 -4.82 115.64 112.03 2jr5 s THR 37 Ca 0.43 -0.28 -0.15 0.00 -1.18 0.00 0.00 61.69 60.51 2jr5 s THR 37 Cb -0.29 -2.87 0.05 0.00 1.34 0.00 0.00 72.50 70.72 2jr5 s THR 37 CO 0.37 0.00 1.76 -0.33 -0.54 0.00 0.00 174.62 175.88 2jr5 h GLU 38 N -0.88 0.34 -0.51 3.99 4.39 -1.97 0.22 114.58 120.15 2jr5 h GLU 38 Ca -0.42 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.28 2jr5 h GLU 38 Cb 1.28 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.82 2jr5 h GLU 38 CO 0.48 0.22 0.31 0.77 -1.16 0.00 0.00 179.01 179.63 2jr5 h SER 39 N 0.35 0.50 -0.48 1.42 0.02 -1.99 0.42 113.55 113.78 2jr5 h SER 39 Ca 0.19 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 2jr5 h SER 39 Cb 0.15 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2jr5 h SER 39 CO -0.17 0.35 0.07 -0.33 -1.14 0.00 0.00 176.83 175.61 2jr5 h GLU 40 N 0.61 0.80 -0.96 3.45 5.08 -1.83 -2.55 114.58 119.18 2jr5 h GLU 40 Ca 0.21 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2jr5 h GLU 40 Cb 0.02 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 2jr5 h GLU 40 CO -0.09 0.81 0.62 1.96 -1.00 0.00 0.00 179.01 181.31 2jr5 h GLN 41 N 0.67 1.28 -0.36 2.33 4.20 0.04 -1.47 115.11 121.80 2jr5 h GLN 41 Ca 0.14 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 2jr5 h GLN 41 Cb 0.41 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 2jr5 h GLN 41 CO 0.01 0.86 0.21 0.22 -0.67 0.00 0.00 178.83 179.46 2jr5 h ASP 42 N 1.31 0.44 0.14 1.46 3.58 0.07 -0.37 116.42 123.05 2jr5 h ASP 42 Ca 0.35 -0.07 -0.09 0.00 0.42 0.00 0.00 57.03 57.64 2jr5 h ASP 42 Cb -0.13 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 2jr5 h ASP 42 CO -0.07 0.38 -0.31 0.44 -2.88 0.00 0.00 179.24 176.79 2jr5 h ASP 43 N 0.46 0.27 -0.33 2.28 5.19 -1.24 -0.11 116.42 122.95 2jr5 h ASP 43 Ca 0.13 -0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.42 2jr5 h ASP 43 Cb 0.03 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 2jr5 h ASP 43 CO -0.02 0.58 0.10 0.15 -3.12 0.00 0.00 179.24 176.93 2jr5 h PHE 44 N 0.23 0.52 -0.63 4.55 3.57 -0.72 -0.45 116.94 124.02 2jr5 h PHE 44 Ca 0.03 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 2jr5 h PHE 44 Cb 0.68 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 2jr5 h PHE 44 CO 0.01 0.52 0.14 0.28 -2.23 0.00 0.00 178.31 177.03 2jr5 h VAL 45 N 0.37 1.26 -0.35 1.41 2.07 -0.79 -2.27 116.25 117.95 2jr5 h VAL 45 Ca 0.11 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.69 2jr5 h VAL 45 Cb 0.24 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2jr5 h VAL 45 CO -0.00 0.36 0.23 0.00 0.02 0.00 0.00 177.57 178.18 2jr5 h ALA 46 N 1.05 1.82 -0.53 1.67 0.00 -0.78 -1.44 119.26 121.05 2jr5 h ALA 46 Ca 0.20 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2jr5 h ALA 46 Cb 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2jr5 h ALA 46 CO 0.01 0.14 -0.00 -0.07 0.00 0.00 0.00 179.25 179.33 2jr5 h LEU 47 N 0.41 0.88 -1.53 0.00 3.38 -0.50 -2.78 115.31 115.16 2jr5 h LEU 47 Ca 0.14 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2jr5 h LEU 47 Cb 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2jr5 h LEU 47 CO -0.03 0.94 -0.24 -0.07 0.09 0.00 0.00 178.44 179.13 2jr5 h LEU 48 N 0.84 0.00 -0.21 1.67 3.38 -0.95 -0.57 115.31 119.47 2jr5 h LEU 48 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2jr5 h LEU 48 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2jr5 h LEU 48 CO 0.02 0.24 0.00 -0.62 0.09 0.00 0.00 178.44 178.17 2jr5 n GLU 49 N -3.88 0.19 -3.18 1.13 -0.58 -1.04 -4.82 120.64 108.47 2jr5 n GLU 49 Ca -0.02 0.25 -0.19 0.00 -0.42 0.00 0.00 57.16 56.79 2jr5 n GLU 49 Cb 0.33 -1.76 0.01 0.00 -0.57 0.00 0.00 31.44 29.44 2jr5 n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2jr5 s SER 50 N -4.12 5.41 0.93 1.62 0.01 -0.22 -5.12 113.70 112.21 2jr5 s SER 50 Ca 0.09 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.77 2jr5 s SER 50 Cb 0.12 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.87 2jr5 s SER 50 CO 0.50 -0.82 0.00 0.47 0.41 0.00 0.00 173.24 173.80 2jr5 n ASP 51 N -1.82 -0.05 -2.48 2.44 9.92 -1.26 -4.98 116.55 118.32 2jr5 n ASP 51 Ca 0.08 -0.91 -0.29 0.00 -0.53 0.00 0.00 54.79 53.14 2jr5 n ASP 51 Cb 0.60 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.09 2jr5 n ASP 51 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2jr5 n ASP 52 N -2.80 5.31 -0.09 -2.24 5.75 -1.26 -4.74 116.55 116.48 2jr5 n ASP 52 Ca 0.00 -3.75 -0.22 0.00 -0.01 0.00 0.00 54.79 50.82 2jr5 n ASP 52 Cb 0.00 -0.56 -0.12 0.00 -1.03 0.00 0.00 41.12 39.41 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 2.57 0.03 -0.57 0.11 0.14 -1.98 -2.87 132.00 129.41 2jr5 h PRO 53 Ca 0.37 -0.04 -0.10 0.00 0.14 0.00 0.00 66.00 66.36 2jr5 h PRO 53 Cb 0.86 0.02 -0.02 0.00 0.14 0.00 0.00 31.00 32.00 2jr5 h PRO 53 CO 0.96 1.02 -0.04 -0.44 0.14 0.00 0.00 178.00 179.64 2jr5 h ASP 54 N -0.90 1.02 0.04 1.44 3.32 -1.96 -1.36 116.42 118.01 2jr5 h ASP 54 Ca -0.34 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.40 2jr5 h ASP 54 Cb 1.36 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2jr5 h ASP 54 CO -0.18 1.09 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.34 2jr5 h LEU 55 N 0.93 -0.04 -0.41 1.55 3.38 -1.86 -0.42 115.31 118.44 2jr5 h LEU 55 Ca 0.16 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2jr5 h LEU 55 Cb 0.59 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2jr5 h LEU 55 CO 0.04 0.02 0.24 0.15 0.09 0.00 0.00 178.44 178.97 2jr5 h PHE 56 N -0.10 0.44 -0.26 1.13 3.57 -1.41 -2.53 116.94 117.78 2jr5 h PHE 56 Ca -0.01 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.38 2jr5 h PHE 56 Cb 0.09 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 2jr5 h PHE 56 CO -0.06 0.25 -0.36 0.00 -2.23 0.00 0.00 178.31 175.91 2jr5 h ALA 57 N 1.19 0.88 0.00 2.41 0.00 -1.02 -2.66 119.26 120.06 2jr5 h ALA 57 Ca 0.16 -0.42 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 2jr5 h ALA 57 Cb 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2jr5 h ALA 57 CO -0.08 0.63 -0.82 -1.49 0.00 0.00 0.00 179.25 177.49 2jr5 h TRP 58 N 0.49 0.08 -0.60 0.00 4.06 -0.99 0.17 115.95 119.16 2jr5 h TRP 58 Ca 0.05 -0.04 -0.09 0.00 2.06 0.00 0.00 58.89 60.86 2jr5 h TRP 58 Cb 0.85 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.98 2jr5 h TRP 58 CO 0.03 0.85 0.01 0.28 -3.56 0.00 0.00 178.44 176.05 2jr5 h VAL 59 N 0.03 1.27 0.00 1.49 2.07 -1.28 -2.55 116.25 117.28 2jr5 h VAL 59 Ca -0.02 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 2jr5 h VAL 59 Cb 1.44 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 2jr5 h VAL 59 CO 0.11 0.41 -0.12 0.00 0.02 0.00 0.00 177.57 178.00 2jr5 h MET 60 N 0.95 0.00 -0.33 1.57 -0.00 -1.45 -3.48 114.93 112.20 2jr5 h MET 60 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.87 2jr5 h MET 60 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.15 2jr5 h MET 60 CO 0.03 0.12 0.00 0.41 -0.00 0.00 0.00 176.91 177.47 2jr5 n GLY 61 N 1.00 0.96 0.00 -3.00 0.00 -0.20 -4.97 105.19 98.98 2jr5 n GLY 61 Ca 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.28 0.00 -3.37 1.61 -0.00 0.44 -5.00 115.22 106.61 2jr5 n HIS 62 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.49 2jr5 n HIS 62 Cb 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.30 2jr5 n HIS 62 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2jr5 s GLY 63 N -0.18 1.36 -0.01 1.57 0.00 -0.44 -4.95 107.32 104.68 2jr5 s GLY 63 Ca 0.00 -0.97 0.04 0.00 0.00 0.00 0.00 44.72 43.80 2jr5 s GLY 63 CO 0.00 -0.90 -0.14 0.50 0.00 0.00 0.00 173.10 172.56 2jr5 s ARG 64 N -4.32 1.14 -0.16 2.90 1.81 -1.26 -4.72 118.95 114.34 2jr5 s ARG 64 Ca 0.41 -0.54 -0.06 0.00 -1.72 0.00 0.00 55.73 53.81 2jr5 s ARG 64 Cb -0.10 -1.11 0.07 0.00 -0.45 0.00 0.00 34.95 33.36 2jr5 s ARG 64 CO 0.36 0.30 0.35 0.00 -0.68 0.00 0.00 175.30 175.63 2jr5 h GLU 66 N 7.97 0.35 -5.95 0.00 4.39 -2.05 -3.38 114.58 115.91 2jr5 h GLU 66 Ca -0.21 -0.13 -0.59 0.00 0.34 0.00 0.00 59.36 58.77 2jr5 h GLU 66 Cb 1.13 -0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 29.64 2jr5 h GLU 66 CO 0.17 0.59 1.08 -0.80 -1.16 0.00 0.00 179.01 178.90 2jr5 s ASN 67 N -6.84 6.33 0.24 1.42 0.01 -1.26 -4.81 114.94 110.03 2jr5 s ASN 67 Ca -0.06 -1.07 0.24 0.00 -0.71 0.00 0.00 52.86 51.26 2jr5 s ASN 67 Cb 0.14 -2.52 0.94 0.00 0.41 0.00 0.00 41.25 40.22 2jr5 s ASN 67 CO 0.77 -1.57 1.72 0.18 -1.51 0.00 0.00 177.10 176.70 2jr5 n LEU 68 N 8.57 0.67 -0.08 0.60 4.77 -1.26 -1.89 117.00 128.39 2jr5 n LEU 68 Ca 0.14 0.64 -0.09 0.00 -0.03 0.00 0.00 56.01 56.67 2jr5 n LEU 68 Cb 0.49 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 2jr5 n LEU 68 CO 0.66 -0.47 0.96 1.23 -1.33 0.00 0.00 177.39 178.44 2jr5 h GLY 69 N 2.76 0.40 1.02 -0.72 0.00 -1.95 0.47 103.07 105.04 2jr5 h GLY 69 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 2jr5 h GLY 69 CO 0.00 0.16 0.35 1.41 0.00 0.00 0.00 176.54 178.46 2jr5 h LEU 70 N 0.35 0.97 -1.78 3.11 3.38 -1.77 -2.59 115.31 116.98 2jr5 h LEU 70 Ca 0.10 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2jr5 h LEU 70 Cb 0.01 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 2jr5 h LEU 70 CO -0.02 0.84 -0.13 0.00 0.09 0.00 0.00 178.44 179.21 2jr5 h ALA 71 N 1.17 1.22 -0.10 1.53 0.00 -1.18 -3.06 119.26 118.85 2jr5 h ALA 71 Ca 0.25 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2jr5 h ALA 71 Cb 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2jr5 h ALA 71 CO -0.03 0.17 -0.05 0.00 0.00 0.00 0.00 179.25 179.34 2jr5 h ALA 72 N 1.87 0.04 -0.00 0.00 0.00 -0.49 0.23 119.26 120.91 2jr5 h ALA 72 Ca -0.00 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2jr5 h ALA 72 Cb 0.41 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2jr5 h ALA 72 CO 0.02 -0.51 -0.45 0.52 0.00 0.00 0.00 179.25 178.83 2jr5 h MET 73 N -0.04 0.01 -0.50 0.00 2.07 -1.65 -2.61 114.93 112.21 2jr5 h MET 73 Ca 0.06 -0.00 -0.06 0.00 -2.07 0.00 0.00 59.70 57.62 2jr5 h MET 73 Cb 0.12 -0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.83 2jr5 h MET 73 CO -0.12 0.46 0.07 0.28 1.07 0.00 0.00 176.91 178.66 2jr5 h VAL 74 N 0.01 1.25 -0.87 -2.22 2.07 -1.32 -2.64 116.25 112.53 2jr5 h VAL 74 Ca -0.00 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.59 2jr5 h VAL 74 Cb 0.80 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 2jr5 h VAL 74 CO 0.06 0.34 0.57 -0.78 0.02 0.00 0.00 177.57 177.78 2jr5 h ASP 75 N 0.71 0.95 -0.92 0.57 3.58 -0.21 0.24 116.42 121.33 2jr5 h ASP 75 Ca 0.15 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.61 2jr5 h ASP 75 Cb 0.42 -0.22 -0.05 0.00 1.72 0.00 0.00 39.33 41.20 2jr5 h ASP 75 CO 0.01 0.65 0.61 0.11 -2.88 0.00 0.00 179.24 177.74 2jr5 h LYS 76 N 1.10 1.18 -0.11 0.28 1.79 -1.19 -1.26 116.57 118.37 2jr5 h LYS 76 Ca 0.34 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.68 2jr5 h LYS 76 Cb 0.01 -0.27 0.00 0.00 -1.58 0.00 0.00 32.23 30.39 2jr5 h LYS 76 CO -0.10 0.78 -0.20 0.82 -1.08 0.00 0.00 179.45 179.67 2jr5 h ILE 77 N 1.22 1.39 -0.43 1.86 2.04 -0.84 -3.06 117.51 119.69 2jr5 h ILE 77 Ca 0.35 -1.47 0.06 0.00 1.00 0.00 0.00 64.86 64.80 2jr5 h ILE 77 Cb -0.09 2.09 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 2jr5 h ILE 77 CO -0.09 0.42 0.13 0.58 0.00 0.00 0.00 178.15 179.19 2jr5 h VAL 78 N -0.11 0.83 -0.88 1.67 2.07 -0.27 0.15 116.25 119.71 2jr5 h VAL 78 Ca 0.01 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.45 2jr5 h VAL 78 Cb 0.78 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 2jr5 h VAL 78 CO 0.04 0.05 0.58 0.00 0.02 0.00 0.00 177.57 178.26 2jr5 h ALA 79 N 1.30 1.42 -0.08 1.67 0.00 -1.32 -0.01 119.26 122.24 2jr5 h ALA 79 Ca 0.21 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2jr5 h ALA 79 Cb 0.22 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2jr5 h ALA 79 CO -0.23 0.52 -0.19 1.25 0.00 0.00 0.00 179.25 180.60 2jr5 h HIS 80 N 1.14 0.35 -0.31 0.00 6.17 -1.09 -2.95 115.15 118.46 2jr5 h HIS 80 Ca 0.34 -0.13 -0.18 0.00 0.71 0.00 0.00 60.37 61.11 2jr5 h HIS 80 Cb -0.05 -0.06 -0.00 0.00 2.52 0.00 0.00 27.41 29.81 2jr5 h HIS 80 CO -0.00 0.79 -0.50 -2.95 0.71 0.00 0.00 177.93 175.99 2jr5 h ASN 81 N -0.20 0.96 -0.14 3.26 -1.07 -0.55 -2.99 115.58 114.86 2jr5 h ASN 81 Ca 0.00 -0.49 -0.02 0.00 0.07 0.00 0.00 56.30 55.86 2jr5 h ASN 81 Cb 0.78 -0.27 -0.01 0.00 -2.07 0.00 0.00 38.32 36.75 2jr5 h ASN 81 CO 0.04 1.29 0.04 -0.07 0.07 0.00 0.00 177.43 178.80 2jr5 h LEU 82 N 0.68 0.26 -0.26 6.14 3.38 -1.08 -1.47 115.31 122.96 2jr5 h LEU 82 Ca 0.03 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2jr5 h LEU 82 Cb 1.10 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 2jr5 h LEU 82 CO 0.11 0.28 0.07 -1.28 0.09 0.00 0.00 178.44 177.72 2jr5 h SER 83 N 0.29 0.38 0.71 -0.43 0.87 -1.37 -1.07 113.55 112.93 2jr5 h SER 83 Ca 0.07 -0.21 -0.06 0.00 -1.23 0.00 0.00 61.79 60.36 2jr5 h SER 83 Cb 0.13 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2jr5 h SER 83 CO -0.00 0.49 -0.30 0.07 -0.53 0.00 0.00 176.83 176.56 2jr5 h LYS 84 N 0.25 0.00 -0.32 2.24 2.10 -1.36 -0.25 116.57 119.23 2jr5 h LYS 84 Ca 0.08 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.57 2jr5 h LYS 84 Cb 0.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.58 2jr5 h LYS 84 CO -0.00 0.30 -0.44 0.28 -2.00 0.00 0.00 179.45 177.58 2jr5 h VAL 85 N 0.00 1.28 -0.16 0.07 2.07 -0.89 0.28 116.25 118.90 2jr5 h VAL 85 Ca -0.00 -1.63 -0.14 0.00 0.82 0.00 0.00 66.70 65.75 2jr5 h VAL 85 Cb 0.73 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 2jr5 h VAL 85 CO 0.04 0.53 -0.48 -0.09 0.02 0.00 0.00 177.57 177.59 2jr5 h ARG 86 N 0.66 0.43 0.61 1.57 9.65 -0.84 -3.33 114.38 123.13 2jr5 h ARG 86 Ca 0.04 -0.24 -0.03 0.00 -1.10 0.00 0.00 59.98 58.65 2jr5 h ARG 86 Cb 1.02 0.02 0.01 0.00 -1.39 0.00 0.00 29.97 29.63 2jr5 h ARG 86 CO 0.10 0.82 -0.29 1.25 2.80 0.00 0.00 179.97 184.65 2jr5 h LEU 87 N 0.34 -0.69 0.04 3.80 5.85 -0.74 -3.46 115.31 120.45 2jr5 h LEU 87 Ca 0.02 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 2jr5 h LEU 87 Cb 0.98 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 2jr5 h LEU 87 CO 0.09 -0.34 -0.01 -0.62 -0.34 0.00 0.00 178.44 177.21 2jr5 n GLU 88 N -5.05 -1.88 -0.56 1.25 1.02 0.06 -4.81 120.64 110.68 2jr5 n GLU 88 Ca -0.10 0.50 0.06 0.00 -0.02 0.00 0.00 57.16 57.60 2jr5 n GLU 88 Cb 0.32 -4.93 0.28 0.00 -0.02 0.00 0.00 31.44 27.10 2jr5 n GLU 88 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2jr5 n HIS 89 N -2.06 1.32 -4.28 -0.32 -0.00 -1.26 -4.83 115.22 103.78 2jr5 n HIS 89 Ca -0.01 -0.49 -0.16 0.00 0.46 0.00 0.00 57.72 57.52 2jr5 n HIS 89 Cb 0.48 -0.30 -0.10 0.00 -0.12 0.00 0.00 29.99 29.95 2jr5 n HIS 89 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jr5 s HIS 90 N -2.02 1.42 0.64 1.57 3.76 -1.26 -5.16 115.29 114.24 2jr5 s HIS 90 Ca 0.39 -0.67 -0.07 0.00 -0.15 0.00 0.00 55.06 54.56 2jr5 s HIS 90 Cb 0.27 -0.70 0.02 0.00 1.11 0.00 0.00 32.58 33.28 2jr5 s HIS 90 CO 0.15 0.18 0.96 -1.01 -0.85 0.00 0.00 174.74 174.18 2jr5 s HIS 91 N -3.04 3.21 -0.44 1.40 0.09 -1.26 -4.98 115.29 110.28 2jr5 s HIS 91 Ca 0.17 0.70 -0.28 0.00 -0.00 0.00 0.00 55.06 55.66 2jr5 s HIS 91 Cb 0.00 -2.89 -0.01 0.00 -0.00 0.00 0.00 32.58 29.69 2jr5 s HIS 91 CO 0.03 -1.00 1.64 -1.58 -0.00 0.00 0.00 174.74 173.83 2jr5 s HIS 92 N -3.12 2.02 0.13 1.40 2.46 -1.26 -4.85 115.29 112.07 2jr5 s HIS 92 Ca 0.56 0.64 0.34 0.00 0.47 0.00 0.00 55.06 57.07 2jr5 s HIS 92 Cb -0.11 -4.22 1.53 0.00 -0.13 0.00 0.00 32.58 29.66 2jr5 s HIS 92 CO 0.47 -2.41 2.02 1.25 -2.47 0.00 0.00 174.74 173.59 2jr5 h HIS 93 N 12.36 0.00 0.00 3.88 6.17 -2.02 -3.57 115.15 131.98 2jr5 h HIS 93 Ca -0.29 0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.79 2jr5 h HIS 93 Cb 1.14 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.07 2jr5 h HIS 93 CO 0.99 0.00 0.00 1.58 0.71 0.00 0.00 177.93 181.21