#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jr2 s PRO 2 N 0.00 4.17 -0.05 0.03 0.02 -1.26 -4.88 135.00 133.03 2jr2 s PRO 2 Ca 0.00 2.49 -0.06 0.00 0.02 0.00 0.00 61.00 63.46 2jr2 s PRO 2 Cb 0.00 -3.07 -0.24 0.00 0.02 0.00 0.00 34.50 31.21 2jr2 s PRO 2 CO 0.00 -0.61 3.56 0.44 -0.33 0.00 0.00 177.00 180.06 2jr2 n ILE 3 N 2.82 3.04 0.00 2.83 -5.35 -1.26 -4.37 119.36 117.07 2jr2 n ILE 3 Ca 0.10 -1.62 0.00 0.00 -0.27 0.00 0.00 62.75 60.96 2jr2 n ILE 3 Cb 0.38 -1.98 0.00 0.00 -1.74 0.00 0.00 39.64 36.30 2jr2 n ILE 3 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 2jr2 n VAL 4 N 2.39 0.00 -4.08 7.28 0.31 -1.26 -4.99 118.33 117.98 2jr2 n VAL 4 Ca 0.44 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.44 2jr2 n VAL 4 Cb 0.89 -0.05 -0.01 0.00 -0.91 0.00 0.00 33.84 33.76 2jr2 n VAL 4 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2jr2 n SER 5 N 0.00 -3.61 -4.55 4.52 7.64 -1.26 -4.82 113.62 111.54 2jr2 n SER 5 Ca 0.00 -0.92 -0.36 0.00 1.01 0.00 0.00 58.87 58.60 2jr2 n SER 5 Cb 0.00 -3.21 -0.04 0.00 -1.01 0.00 0.00 64.21 59.95 2jr2 n SER 5 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2jr2 s LYS 6 N -6.78 2.78 0.52 1.43 1.02 -1.26 -4.96 119.74 112.49 2jr2 s LYS 6 Ca 0.65 0.09 -0.12 0.00 0.02 0.00 0.00 55.97 56.61 2jr2 s LYS 6 Cb -0.34 -4.62 -0.06 0.00 -0.52 0.00 0.00 37.83 32.29 2jr2 s LYS 6 CO 0.89 -2.76 0.92 1.52 -0.92 0.00 0.00 175.35 174.99 2jr2 s TYR 7 N 8.45 3.53 0.26 3.18 -0.85 -1.26 -5.09 117.35 125.57 2jr2 s TYR 7 Ca 0.61 1.22 0.03 0.00 -0.52 0.00 0.00 57.07 58.41 2jr2 s TYR 7 Cb -0.09 -2.62 -0.03 0.00 0.38 0.00 0.00 41.96 39.60 2jr2 s TYR 7 CO 0.11 -0.39 0.42 -1.12 -1.52 0.00 0.00 175.55 173.05 2jr2 s SER 8 N -3.58 6.32 0.50 -0.18 0.01 -1.26 -5.00 113.70 110.51 2jr2 s SER 8 Ca 0.54 0.24 0.19 0.00 1.31 0.00 0.00 55.95 58.23 2jr2 s SER 8 Cb -0.10 -1.94 1.25 0.00 0.21 0.00 0.00 66.02 65.44 2jr2 s SER 8 CO 0.40 -0.13 2.08 0.78 0.41 0.00 0.00 173.24 176.78 2jr2 h ASN 9 N 1.20 0.00 -0.96 2.44 4.21 -1.99 -1.43 115.58 119.05 2jr2 h ASN 9 Ca -0.51 0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.01 2jr2 h ASN 9 Cb 1.22 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 38.37 2jr2 h ASN 9 CO 0.62 0.10 0.63 -0.33 -1.29 0.00 0.00 177.43 177.17 2jr2 h GLU 10 N 0.00 1.27 -0.14 0.81 3.07 -2.00 -1.65 114.58 115.95 2jr2 h GLU 10 Ca -0.00 -0.08 -0.19 0.00 -0.50 0.00 0.00 59.36 58.59 2jr2 h GLU 10 Cb 0.20 -0.28 -0.00 0.00 -0.84 0.00 0.00 28.75 27.82 2jr2 h GLU 10 CO 0.01 0.85 -0.69 -0.09 -1.40 0.00 0.00 179.01 177.70 2jr2 h ARG 11 N 1.31 0.58 -0.22 2.33 2.43 -1.67 -1.68 114.38 117.46 2jr2 h ARG 11 Ca 0.35 -0.44 0.05 0.00 -0.81 0.00 0.00 59.98 59.13 2jr2 h ARG 11 Cb -0.14 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 2jr2 h ARG 11 CO -0.07 1.06 -0.07 0.28 -1.51 0.00 0.00 179.97 179.66 2jr2 h VAL 12 N 0.42 0.74 0.00 0.20 2.07 -1.01 -0.14 116.25 118.54 2jr2 h VAL 12 Ca -0.02 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.39 2jr2 h VAL 12 Cb 1.27 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2jr2 h VAL 12 CO 0.13 0.00 -0.52 -0.08 0.02 0.00 0.00 177.57 177.12 2jr2 h GLU 13 N -0.03 0.00 -0.44 1.57 4.81 -1.31 -2.50 114.58 116.68 2jr2 h GLU 13 Ca 0.11 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2jr2 h GLU 13 Cb 0.19 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 2jr2 h GLU 13 CO -0.24 0.52 0.27 -0.22 -0.73 0.00 0.00 179.01 178.61 2jr2 h LYS 14 N 0.00 0.52 -0.60 1.92 3.64 -0.35 0.07 116.57 121.76 2jr2 h LYS 14 Ca -0.01 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 2jr2 h LYS 14 Cb 0.93 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.60 2jr2 h LYS 14 CO 0.07 0.35 0.16 0.82 -2.27 0.00 0.00 179.45 178.58 2jr2 h ILE 15 N 0.54 1.24 -0.25 2.00 2.04 -0.78 0.42 117.51 122.72 2jr2 h ILE 15 Ca 0.17 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.20 2jr2 h ILE 15 Cb -0.01 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 2jr2 h ILE 15 CO -0.07 0.32 0.13 0.40 0.00 0.00 0.00 178.15 178.93 2jr2 h ILE 16 N 0.89 1.01 -0.53 -0.67 2.04 -1.00 0.38 117.51 119.64 2jr2 h ILE 16 Ca 0.20 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 2jr2 h ILE 16 Cb 0.30 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2jr2 h ILE 16 CO -0.00 0.05 0.28 -0.61 0.00 0.00 0.00 178.15 177.86 2jr2 h GLN 17 N 0.28 0.74 -0.58 2.37 5.75 -0.35 -0.82 115.11 122.51 2jr2 h GLN 17 Ca 0.10 -0.09 0.07 0.00 -0.15 0.00 0.00 58.65 58.57 2jr2 h GLN 17 Cb 0.01 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 28.36 2jr2 h GLN 17 CO -0.06 0.59 0.26 0.22 -2.65 0.00 0.00 178.83 177.19 2jr2 h ASP 18 N 0.71 0.32 -0.51 -0.69 1.82 0.21 0.11 116.42 118.39 2jr2 h ASP 18 Ca 0.18 0.05 -0.06 0.00 -0.39 0.00 0.00 57.03 56.82 2jr2 h ASP 18 Cb 0.07 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.06 2jr2 h ASP 18 CO -0.03 0.21 0.09 -0.07 -1.61 0.00 0.00 179.24 177.83 2jr2 h LEU 19 N 0.48 0.80 -0.77 2.28 3.38 -0.63 -2.48 115.31 118.37 2jr2 h LEU 19 Ca 0.27 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2jr2 h LEU 19 Cb 0.26 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2jr2 h LEU 19 CO -0.23 0.85 0.48 -0.07 0.09 0.00 0.00 178.44 179.56 2jr2 h LEU 20 N 0.72 0.91 -1.24 1.67 3.38 -0.30 -1.77 115.31 118.68 2jr2 h LEU 20 Ca 0.16 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2jr2 h LEU 20 Cb 0.39 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2jr2 h LEU 20 CO 0.01 0.69 0.46 0.44 0.09 0.00 0.00 178.44 180.13 2jr2 h ASP 21 N 1.05 0.85 -0.35 -0.43 3.32 -0.66 -1.58 116.42 118.62 2jr2 h ASP 21 Ca 0.28 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 2jr2 h ASP 21 Cb -0.06 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2jr2 h ASP 21 CO -0.05 0.64 0.16 0.58 -1.72 0.00 0.00 179.24 178.85 2jr2 h VAL 22 N 0.99 1.17 -0.64 -1.35 2.07 -0.88 0.37 116.25 117.98 2jr2 h VAL 22 Ca 0.26 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 2jr2 h VAL 22 Cb -0.07 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2jr2 h VAL 22 CO -0.05 0.18 0.30 -0.07 0.02 0.00 0.00 177.57 177.95 2jr2 h LEU 23 N 0.42 0.82 -0.00 2.57 3.38 -0.78 -1.51 115.31 120.20 2jr2 h LEU 23 Ca 0.12 -0.08 -0.23 0.00 0.09 0.00 0.00 57.88 57.77 2jr2 h LEU 23 Cb 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2jr2 h LEU 23 CO -0.01 0.70 -1.08 0.58 0.09 0.00 0.00 178.44 178.71 2jr2 h VAL 24 N 0.90 1.58 -0.94 1.22 2.07 -1.12 -0.79 116.25 119.18 2jr2 h VAL 24 Ca 0.22 -3.10 0.04 0.00 0.82 0.00 0.00 66.70 64.68 2jr2 h VAL 24 Cb 0.10 2.81 -0.06 0.00 -1.52 0.00 0.00 31.29 32.62 2jr2 h VAL 24 CO -0.03 0.90 0.61 0.50 0.02 0.00 0.00 177.57 179.57 2jr2 h LYS 25 N 0.05 1.13 0.00 1.57 3.64 0.41 -1.54 116.57 121.83 2jr2 h LYS 25 Ca -0.07 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.21 2jr2 h LYS 25 Cb 1.80 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 33.36 2jr2 h LYS 25 CO 0.16 0.75 -0.74 0.93 -2.27 0.00 0.00 179.45 178.28 2jr2 h GLU 26 N 1.16 0.00 -5.51 1.90 4.39 -1.34 -3.49 114.58 111.69 2jr2 h GLU 26 Ca 0.38 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.96 2jr2 h GLU 26 Cb 0.03 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 28.74 2jr2 h GLU 26 CO -0.13 0.09 -0.34 0.39 -1.16 0.00 0.00 179.01 177.87 2jr2 n GLU 27 N -2.88 -1.57 -2.80 2.33 1.02 -0.37 -5.03 120.64 111.33 2jr2 n GLU 27 Ca -0.00 1.24 -0.23 0.00 -0.02 0.00 0.00 57.16 58.15 2jr2 n GLU 27 Cb 0.61 -5.51 0.02 0.00 -0.02 0.00 0.00 31.44 26.54 2jr2 n GLU 27 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2jr2 s VAL 28 N -3.13 3.54 0.47 2.62 -7.23 -0.76 -5.03 120.40 110.88 2jr2 s VAL 28 Ca 0.15 -0.48 -0.03 0.00 -1.81 0.00 0.00 61.98 59.81 2jr2 s VAL 28 Cb -0.02 -3.33 -0.02 0.00 0.56 0.00 0.00 36.38 33.56 2jr2 s VAL 28 CO 0.76 -0.25 0.74 0.42 -0.31 0.00 0.00 175.10 176.46 2jr2 s THR 29 N -2.68 4.54 0.22 5.32 -4.23 -1.26 -4.89 115.64 112.66 2jr2 s THR 29 Ca 0.52 -0.10 -0.08 0.00 -1.18 0.00 0.00 61.69 60.84 2jr2 s THR 29 Cb -0.10 -3.72 0.16 0.00 1.34 0.00 0.00 72.50 70.18 2jr2 s THR 29 CO 0.39 -0.62 1.78 -0.65 -0.54 0.00 0.00 174.62 174.98 2jr2 h PRO 30 N 0.29 0.58 -0.33 3.99 0.11 -1.99 0.38 132.00 135.02 2jr2 h PRO 30 Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2jr2 h PRO 30 Cb 1.23 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2jr2 h PRO 30 CO 0.61 0.38 0.18 -0.44 -0.21 0.00 0.00 178.00 178.51 2jr2 h ASP 31 N 0.60 0.42 -0.53 -2.05 5.19 -2.00 -1.41 116.42 116.65 2jr2 h ASP 31 Ca 0.32 -0.10 -0.07 0.00 -0.62 0.00 0.00 57.03 56.57 2jr2 h ASP 31 Cb 0.31 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 2jr2 h ASP 31 CO -0.24 0.40 0.07 0.25 -3.12 0.00 0.00 179.24 176.60 2jr2 h LEU 32 N 0.41 0.86 -0.27 1.55 5.85 -1.81 -2.40 115.31 119.51 2jr2 h LEU 32 Ca 0.12 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.60 2jr2 h LEU 32 Cb 0.08 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 2jr2 h LEU 32 CO -0.02 0.91 0.07 0.00 -0.34 0.00 0.00 178.44 179.07 2jr2 h ALA 33 N 0.97 0.29 -0.43 1.25 0.00 -0.05 -1.18 119.26 120.13 2jr2 h ALA 33 Ca 0.16 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2jr2 h ALA 33 Cb 0.43 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2jr2 h ALA 33 CO 0.01 -0.34 0.27 -0.07 0.00 0.00 0.00 179.25 179.13 2jr2 h LEU 34 N 0.18 0.46 -0.83 0.00 3.38 -1.15 0.17 115.31 117.54 2jr2 h LEU 34 Ca 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2jr2 h LEU 34 Cb 0.11 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2jr2 h LEU 34 CO -0.15 0.33 0.49 -0.03 0.09 0.00 0.00 178.44 179.18 2jr2 h MET 35 N 0.55 1.13 -0.06 1.13 4.05 -1.09 0.23 114.93 120.88 2jr2 h MET 35 Ca 0.16 -0.11 -0.02 0.00 -0.28 0.00 0.00 59.70 59.45 2jr2 h MET 35 Cb -0.04 -0.23 -0.00 0.00 -0.80 0.00 0.00 31.60 30.53 2jr2 h MET 35 CO -0.05 0.80 -0.04 0.00 0.23 0.00 0.00 176.91 177.85 2jr2 h LEU 37 N -0.30 0.79 -0.34 0.00 3.38 -0.45 -1.12 115.31 117.28 2jr2 h LEU 37 Ca 0.01 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2jr2 h LEU 37 Cb 0.52 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2jr2 h LEU 37 CO 0.01 0.54 0.10 1.23 0.09 0.00 0.00 178.44 180.42 2jr2 h GLY 38 N 0.93 0.41 1.76 0.83 0.00 -0.54 0.97 103.07 107.44 2jr2 h GLY 38 Ca 0.31 -0.06 -0.12 0.00 0.00 0.00 0.00 47.33 47.46 2jr2 h GLY 38 CO -0.11 0.02 -0.45 3.43 0.00 0.00 0.00 176.54 179.42 2jr2 h ASN 39 N 0.24 0.28 -0.26 0.19 2.35 -1.22 -0.17 115.58 116.98 2jr2 h ASN 39 Ca 0.15 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2jr2 h ASN 39 Cb 0.14 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2jr2 h ASN 39 CO -0.17 0.70 0.11 0.00 -1.65 0.00 0.00 177.43 176.42 2jr2 h ALA 40 N 1.31 0.34 -0.34 -0.83 0.00 -0.58 -0.25 119.26 118.92 2jr2 h ALA 40 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jr2 h ALA 40 Cb 0.89 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2jr2 h ALA 40 CO 0.07 -0.07 0.22 0.28 0.00 0.00 0.00 179.25 179.75 2jr2 h VAL 41 N 0.28 1.08 0.00 0.00 2.07 -0.60 -2.11 116.25 116.97 2jr2 h VAL 41 Ca 0.09 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 2jr2 h VAL 41 Cb 0.16 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2jr2 h VAL 41 CO -0.01 0.08 -0.02 0.74 0.02 0.00 0.00 177.57 178.39 2jr2 h THR 42 N 0.45 0.70 -0.08 2.57 2.02 -0.77 -0.02 112.91 117.80 2jr2 h THR 42 Ca 0.13 -0.06 -0.11 0.00 0.77 0.00 0.00 66.41 67.13 2jr2 h THR 42 Cb -0.05 1.04 0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2jr2 h THR 42 CO -0.03 0.02 -0.39 -1.13 0.37 0.00 0.00 175.52 174.36 2jr2 h ASN 43 N 0.00 0.47 -0.57 4.18 -1.24 -0.41 -2.65 115.58 115.35 2jr2 h ASN 43 Ca -0.00 -0.65 -0.08 0.00 0.71 0.00 0.00 56.30 56.28 2jr2 h ASN 43 Cb 0.03 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 38.92 2jr2 h ASN 43 CO 0.00 1.05 0.04 0.40 -1.29 0.00 0.00 177.43 177.63 2jr2 h ILE 44 N -0.07 1.26 0.00 2.57 1.08 -0.70 -2.40 117.51 119.25 2jr2 h ILE 44 Ca -0.03 -1.07 0.00 0.00 -0.39 0.00 0.00 64.86 63.38 2jr2 h ILE 44 Cb 1.04 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.61 2jr2 h ILE 44 CO 0.08 0.39 0.00 0.40 -0.69 0.00 0.00 178.15 178.33 2jr2 h ILE 45 N 0.88 0.00 -0.00 -0.67 2.04 -1.12 -2.24 117.51 116.40 2jr2 h ILE 45 Ca 0.17 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2jr2 h ILE 45 Cb 0.49 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2jr2 h ILE 45 CO 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 178.15 178.06 2jr2 n ALA 46 N -1.92 2.71 0.97 1.87 0.00 -0.91 -3.29 120.51 119.95 2jr2 n ALA 46 Ca 0.02 -0.22 0.13 0.00 0.00 0.00 0.00 53.44 53.36 2jr2 n ALA 46 Cb 0.28 -1.37 0.35 0.00 0.00 0.00 0.00 19.45 18.72 2jr2 n ALA 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jr2 n GLN 47 N -1.20 0.02 -4.08 0.00 6.02 -0.84 -4.85 117.38 112.44 2jr2 n GLN 47 Ca 0.12 0.01 -0.26 0.00 -0.01 0.00 0.00 57.00 56.86 2jr2 n GLN 47 Cb 0.29 -1.51 -0.05 0.00 1.02 0.00 0.00 30.24 29.98 2jr2 n GLN 47 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2jr2 s VAL 48 N -3.01 4.48 0.34 5.09 -7.23 -1.21 -5.08 120.40 113.78 2jr2 s VAL 48 Ca 0.12 -1.11 -0.28 0.00 -1.81 0.00 0.00 61.98 58.90 2jr2 s VAL 48 Cb 0.18 -3.30 -0.12 0.00 0.56 0.00 0.00 36.38 33.69 2jr2 s VAL 48 CO 0.65 -0.13 1.26 -0.81 -0.31 0.00 0.00 175.10 175.77 2jr2 n PRO 49 N -0.41 2.04 0.22 4.82 -0.04 -1.26 -4.66 135.00 135.72 2jr2 n PRO 49 Ca -0.08 0.72 0.16 0.00 -0.04 0.00 0.00 63.50 64.25 2jr2 n PRO 49 Cb 0.55 -2.28 0.74 0.00 -0.04 0.00 0.00 33.50 32.48 2jr2 n PRO 49 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2jr2 h GLU 50 N 2.48 0.00 -0.75 0.54 4.11 -1.95 0.13 114.58 119.15 2jr2 h GLU 50 Ca -0.45 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.01 2jr2 h GLU 50 Cb 1.29 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 2jr2 h GLU 50 CO 0.62 0.00 0.47 1.03 0.07 0.00 0.00 179.01 181.20 2jr2 h SER 51 N 0.00 0.77 0.46 3.06 0.87 -2.01 -2.98 113.55 113.73 2jr2 h SER 51 Ca 0.00 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.34 2jr2 h SER 51 Cb 0.20 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.95 2jr2 h SER 51 CO 0.00 0.53 -1.71 0.29 -0.53 0.00 0.00 176.83 175.41 2jr2 n LYS 52 N -4.64 0.64 -0.16 2.24 5.02 -0.25 -4.42 118.16 116.58 2jr2 n LYS 52 Ca 0.09 0.16 -0.02 0.00 -2.02 0.00 0.00 58.31 56.52 2jr2 n LYS 52 Cb 0.09 -1.72 0.06 0.00 -0.02 0.00 0.00 35.03 33.44 2jr2 n LYS 52 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2jr2 h ARG 53 N 0.00 0.11 -0.37 1.97 2.43 -0.66 0.19 114.38 118.06 2jr2 h ARG 53 Ca -0.25 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.87 2jr2 h ARG 53 Cb 1.75 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.26 2jr2 h ARG 53 CO 0.05 0.07 0.05 0.28 -1.51 0.00 0.00 179.97 178.91 2jr2 h VAL 54 N 0.12 1.24 -0.47 0.20 2.07 -1.75 -2.18 116.25 115.48 2jr2 h VAL 54 Ca 0.26 -0.88 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 2jr2 h VAL 54 Cb 0.39 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2jr2 h VAL 54 CO -0.43 0.30 0.11 0.00 0.02 0.00 0.00 177.57 177.57 2jr2 h ALA 55 N 0.90 0.61 -0.21 1.67 0.00 -1.51 -2.56 119.26 118.17 2jr2 h ALA 55 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2jr2 h ALA 55 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2jr2 h ALA 55 CO 0.01 0.30 0.07 0.28 0.00 0.00 0.00 179.25 179.91 2jr2 h VAL 56 N 0.63 1.19 -0.53 0.00 2.07 -0.60 -1.96 116.25 117.03 2jr2 h VAL 56 Ca 0.15 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 2jr2 h VAL 56 Cb 0.33 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2jr2 h VAL 56 CO 0.00 0.18 0.08 1.62 0.02 0.00 0.00 177.57 179.48 2jr2 h VAL 57 N 0.16 1.24 -0.30 2.57 3.04 -1.34 0.98 116.25 122.60 2jr2 h VAL 57 Ca 0.07 -0.92 -0.15 0.00 -1.01 0.00 0.00 66.70 64.69 2jr2 h VAL 57 Cb 0.22 0.74 -0.00 0.00 -2.01 0.00 0.00 31.29 30.25 2jr2 h VAL 57 CO -0.00 0.33 -0.40 -0.78 -1.01 0.00 0.00 177.57 175.71 2jr2 h ASP 58 N 0.81 0.88 -0.35 3.17 3.58 -1.38 0.54 116.42 123.66 2jr2 h ASP 58 Ca 0.17 -0.50 -0.05 0.00 0.42 0.00 0.00 57.03 57.07 2jr2 h ASP 58 Cb 0.37 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 2jr2 h ASP 58 CO 0.01 1.20 0.05 0.78 -2.88 0.00 0.00 179.24 178.39 2jr2 h ASN 59 N 0.58 0.64 0.44 2.28 2.35 -1.07 0.40 115.58 121.20 2jr2 h ASN 59 Ca 0.04 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 2jr2 h ASN 59 Cb 0.99 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.20 2jr2 h ASN 59 CO 0.09 0.68 -0.23 0.15 -1.65 0.00 0.00 177.43 176.48 2jr2 h PHE 60 N 0.65 -0.59 -0.53 1.19 3.57 -0.56 -0.80 116.94 119.88 2jr2 h PHE 60 Ca 0.14 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 2jr2 h PHE 60 Cb 0.34 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 2jr2 h PHE 60 CO 0.02 -0.36 0.15 1.79 -2.23 0.00 0.00 178.31 177.67 2jr2 h THR 61 N -0.62 1.22 -0.17 4.41 1.35 -0.49 0.85 112.91 119.46 2jr2 h THR 61 Ca -0.06 -0.75 -0.01 0.00 -0.55 0.00 0.00 66.41 65.04 2jr2 h THR 61 Cb 0.48 0.65 -0.01 0.00 -1.73 0.00 0.00 68.15 67.55 2jr2 h THR 61 CO 0.09 0.28 0.08 0.50 -0.25 0.00 0.00 175.52 176.22 2jr2 h LYS 62 N 0.77 0.25 -0.03 4.72 3.64 -0.11 -2.48 116.57 123.33 2jr2 h LYS 62 Ca 0.17 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.43 2jr2 h LYS 62 Cb 0.25 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2jr2 h LYS 62 CO -0.01 0.29 -0.37 0.00 -2.27 0.00 0.00 179.45 177.10 2jr2 h ALA 63 N 0.94 1.33 0.68 5.00 0.00 -0.70 -2.56 119.26 123.95 2jr2 h ALA 63 Ca 0.06 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2jr2 h ALA 63 Cb 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2jr2 h ALA 63 CO -0.01 0.49 -0.46 -0.07 0.00 0.00 0.00 179.25 179.21 2jr2 h LEU 64 N 0.06 -1.18 -1.28 0.00 3.38 -0.46 0.26 115.31 116.08 2jr2 h LEU 64 Ca 0.00 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2jr2 h LEU 64 Cb 0.68 0.36 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2jr2 h LEU 64 CO 0.05 -0.69 0.20 0.11 0.09 0.00 0.00 178.44 178.20 2jr2 h LYS 65 N -1.09 0.69 -0.11 1.13 1.57 -1.40 -1.59 116.57 115.77 2jr2 h LYS 65 Ca -0.09 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 2jr2 h LYS 65 Cb 0.89 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 2jr2 h LYS 65 CO 0.06 0.57 0.02 1.96 -0.57 0.00 0.00 179.45 181.49 2jr2 h GLN 66 N 0.69 0.18 0.00 3.15 1.08 -1.28 -2.55 115.11 116.38 2jr2 h GLN 66 Ca 0.17 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.28 2jr2 h GLN 66 Cb 0.13 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 2jr2 h GLN 66 CO -0.02 0.37 -0.18 0.66 -0.95 0.00 0.00 178.83 178.71 2jr2 h SER 67 N -0.04 0.00 -0.07 1.46 4.64 -0.02 0.20 113.55 119.72 2jr2 h SER 67 Ca 0.03 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 2jr2 h SER 67 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2jr2 h SER 67 CO 0.00 0.18 -0.26 0.58 -0.87 0.00 0.00 176.83 176.46 2jr2 h VAL 68 N 0.00 1.42 -0.19 0.95 2.07 -1.22 -2.25 116.25 117.04 2jr2 h VAL 68 Ca -0.00 -1.65 -0.19 0.00 0.82 0.00 0.00 66.70 65.68 2jr2 h VAL 68 Cb 0.63 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2jr2 h VAL 68 CO 0.02 0.47 -0.65 -0.07 0.02 0.00 0.00 177.57 177.36 2jr2 h LEU 69 N -0.19 0.81 -3.27 2.57 3.38 -1.14 -3.09 115.31 114.39 2jr2 h LEU 69 Ca -0.01 -0.48 -0.27 0.00 0.09 0.00 0.00 57.88 57.20 2jr2 h LEU 69 Cb 0.90 -0.24 -0.16 0.00 0.09 0.00 0.00 40.66 41.25 2jr2 h LEU 69 CO 0.06 1.25 0.35 -0.62 0.09 0.00 0.00 178.44 179.57 2jr2 n GLU 70 N -3.95 2.38 -2.72 1.13 -0.58 0.68 -4.92 120.64 112.67 2jr2 n GLU 70 Ca -0.05 -2.17 -0.42 0.00 -0.42 0.00 0.00 57.16 54.10 2jr2 n GLU 70 Cb 0.67 -1.89 -0.03 0.00 -0.57 0.00 0.00 31.44 29.62 2jr2 n GLU 70 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2jr2 s HIS 71 N -2.32 3.43 0.15 -0.32 2.46 -0.85 -4.90 115.29 112.94 2jr2 s HIS 71 Ca 0.40 1.48 -0.34 0.00 0.47 0.00 0.00 55.06 57.07 2jr2 s HIS 71 Cb 0.33 -3.19 -0.16 0.00 -0.13 0.00 0.00 32.58 29.44 2jr2 s HIS 71 CO 0.09 -0.33 1.22 -2.39 -2.47 0.00 0.00 174.74 170.86 2jr2 n HIS 72 N 5.57 1.39 -4.16 3.88 1.44 -1.26 -4.98 115.22 117.09 2jr2 n HIS 72 Ca 0.09 0.66 -0.15 0.00 -2.01 0.00 0.00 57.72 56.30 2jr2 n HIS 72 Cb 0.48 -2.30 -0.13 0.00 0.12 0.00 0.00 29.99 28.15 2jr2 n HIS 72 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2jr2 s HIS 73 N -0.01 0.67 -0.95 -1.40 5.04 -1.26 -5.07 115.29 112.31 2jr2 s HIS 73 Ca 0.76 -0.29 -0.24 0.00 -1.54 0.00 0.00 55.06 53.75 2jr2 s HIS 73 Cb -0.87 -0.41 -0.02 0.00 0.04 0.00 0.00 32.58 31.32 2jr2 s HIS 73 CO 0.51 -0.03 1.79 -1.01 -2.34 0.00 0.00 174.74 173.65 2jr2 s HIS 74 N -0.71 2.05 -0.75 3.88 3.76 -1.26 -4.92 115.29 117.34 2jr2 s HIS 74 Ca -0.03 0.14 -0.26 0.00 -0.15 0.00 0.00 55.06 54.77 2jr2 s HIS 74 Cb -0.06 -4.26 0.01 0.00 1.11 0.00 0.00 32.58 29.38 2jr2 s HIS 74 CO 0.00 -1.80 1.51 -1.58 -0.85 0.00 0.00 174.74 172.02 2jr2 s HIS 75 N 8.42 2.10 0.00 1.40 5.04 -1.26 -5.35 115.29 125.64 2jr2 s HIS 75 Ca 0.62 0.14 0.00 0.00 -1.54 0.00 0.00 55.06 54.28 2jr2 s HIS 75 Cb -0.04 -4.45 0.00 0.00 0.04 0.00 0.00 32.58 28.13 2jr2 s HIS 75 CO -0.04 -2.11 0.00 1.58 -2.34 0.00 0.00 174.74 171.83