#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 0.09 -0.05 2.12 0.04 -1.26 -5.02 135.00 130.92 2jr2 s PRO 2 Ca 0.00 -0.48 -0.26 0.00 0.04 0.00 0.00 61.00 60.31 2jr2 s PRO 2 Cb 0.00 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 2jr2 s PRO 2 CO 0.00 -2.77 0.80 -1.50 0.04 0.00 0.00 177.00 173.56 2jr2 s ILE 3 N -3.83 4.98 0.08 0.56 2.07 -1.26 -4.94 121.20 118.86 2jr2 s ILE 3 Ca 0.76 1.66 0.08 0.00 -1.41 0.00 0.00 60.65 61.74 2jr2 s ILE 3 Cb -0.03 -4.14 -0.20 0.00 0.13 0.00 0.00 42.46 38.23 2jr2 s ILE 3 CO 0.54 0.22 1.19 0.58 -1.91 0.00 0.00 174.94 175.55 2jr2 h VAL 4 N 4.78 1.52 -5.00 4.00 2.07 -2.06 -3.48 116.25 118.08 2jr2 h VAL 4 Ca -0.41 -3.23 -0.23 0.00 0.82 0.00 0.00 66.70 63.65 2jr2 h VAL 4 Cb 1.20 2.75 0.15 0.00 -1.52 0.00 0.00 31.29 33.88 2jr2 h VAL 4 CO 0.75 0.87 -0.68 -1.20 0.02 0.00 0.00 177.57 177.33 2jr2 n SER 5 N -3.29 -4.39 0.01 0.57 7.64 -1.26 -4.95 113.62 107.95 2jr2 n SER 5 Ca -0.03 -0.55 -0.10 0.00 1.01 0.00 0.00 58.87 59.20 2jr2 n SER 5 Cb 0.95 -4.34 -0.14 0.00 -1.01 0.00 0.00 64.21 59.67 2jr2 n SER 5 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2jr2 h LYS 6 N -1.14 0.04 0.00 1.43 1.63 -2.03 -3.50 116.57 112.99 2jr2 h LYS 6 Ca -0.49 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.24 2jr2 h LYS 6 Cb 1.26 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 2jr2 h LYS 6 CO 0.38 0.71 0.00 0.66 -3.45 0.00 0.00 179.45 177.75 2jr2 n TYR 7 N -3.18 -1.66 -4.86 1.91 4.01 -1.26 -4.81 117.16 107.31 2jr2 n TYR 7 Ca -0.14 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.28 2jr2 n TYR 7 Cb 1.02 0.22 -0.13 0.00 -0.31 0.00 0.00 39.34 40.14 2jr2 n TYR 7 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2jr2 s SER 8 N -4.00 4.07 0.33 7.72 0.01 -1.26 -5.02 113.70 115.55 2jr2 s SER 8 Ca 0.00 -0.19 0.05 0.00 1.31 0.00 0.00 55.95 57.12 2jr2 s SER 8 Cb 0.00 -0.94 0.70 0.00 0.21 0.00 0.00 66.02 66.00 2jr2 s SER 8 CO 0.00 0.33 1.87 0.78 0.41 0.00 0.00 173.24 176.63 2jr2 h ASN 9 N 5.45 0.77 -0.12 2.44 4.21 -2.01 -0.47 115.58 125.84 2jr2 h ASN 9 Ca -0.45 0.04 0.01 0.00 1.21 0.00 0.00 56.30 57.11 2jr2 h ASN 9 Cb 1.16 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 38.24 2jr2 h ASN 9 CO 0.51 0.41 0.08 1.05 -1.29 0.00 0.00 177.43 178.19 2jr2 h GLU 10 N 0.83 0.13 -0.08 0.81 4.11 -1.99 -1.13 114.58 117.25 2jr2 h GLU 10 Ca 0.45 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.84 2jr2 h GLU 10 Cb 0.57 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2jr2 h GLU 10 CO -0.22 0.09 -0.08 -0.09 0.07 0.00 0.00 179.01 178.78 2jr2 h ARG 11 N 0.13 0.19 -0.80 1.06 2.43 -1.50 -2.34 114.38 113.57 2jr2 h ARG 11 Ca 0.05 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 2jr2 h ARG 11 Cb 0.03 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 2jr2 h ARG 11 CO -0.01 0.62 0.35 0.28 -1.51 0.00 0.00 179.97 179.70 2jr2 h VAL 12 N -0.22 1.25 -0.33 0.20 2.07 -1.39 -0.50 116.25 117.34 2jr2 h VAL 12 Ca 0.01 -0.75 0.05 0.00 0.82 0.00 0.00 66.70 66.83 2jr2 h VAL 12 Cb 0.58 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 2jr2 h VAL 12 CO 0.02 0.32 0.03 -0.08 0.02 0.00 0.00 177.57 177.88 2jr2 h GLU 13 N 1.14 0.13 -0.37 1.57 4.57 -1.18 -1.75 114.58 118.69 2jr2 h GLU 13 Ca 0.27 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.42 2jr2 h GLU 13 Cb 0.16 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 2jr2 h GLU 13 CO -0.03 0.09 0.14 -0.22 -1.18 0.00 0.00 179.01 177.81 2jr2 h LYS 14 N 0.14 0.56 -0.35 1.92 3.64 -0.84 -1.47 116.57 120.17 2jr2 h LYS 14 Ca 0.16 -0.11 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 2jr2 h LYS 14 Cb 0.20 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 2jr2 h LYS 14 CO -0.24 0.55 0.10 0.82 -2.27 0.00 0.00 179.45 178.41 2jr2 h ILE 15 N 0.45 0.87 -0.84 2.00 2.04 -0.74 0.38 117.51 121.67 2jr2 h ILE 15 Ca 0.12 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 2jr2 h ILE 15 Cb 0.20 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 2jr2 h ILE 15 CO -0.01 0.04 0.44 0.40 0.00 0.00 0.00 178.15 179.03 2jr2 h ILE 16 N 0.23 1.25 -0.18 -0.67 2.04 -1.27 -2.53 117.51 116.38 2jr2 h ILE 16 Ca 0.16 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 2jr2 h ILE 16 Cb 0.16 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 2jr2 h ILE 16 CO -0.19 0.29 0.08 -0.61 0.00 0.00 0.00 178.15 177.72 2jr2 h GLN 17 N 1.18 0.26 -0.58 2.37 5.75 -0.07 -0.93 115.11 123.10 2jr2 h GLN 17 Ca 0.29 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.80 2jr2 h GLN 17 Cb 0.06 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.52 2jr2 h GLN 17 CO -0.04 0.32 0.32 -0.44 -2.65 0.00 0.00 178.83 176.33 2jr2 h ASP 18 N 0.15 0.47 0.24 -0.69 5.19 -0.17 0.39 116.42 122.00 2jr2 h ASP 18 Ca 0.06 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.48 2jr2 h ASP 18 Cb 0.15 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.59 2jr2 h ASP 18 CO -0.01 0.32 -0.11 -0.07 -3.12 0.00 0.00 179.24 176.25 2jr2 h LEU 19 N 0.61 -0.27 -1.19 1.55 3.38 -1.26 -2.42 115.31 115.71 2jr2 h LEU 19 Ca 0.25 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 2jr2 h LEU 19 Cb 0.12 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2jr2 h LEU 19 CO -0.15 -0.16 -0.13 -0.07 0.09 0.00 0.00 178.44 178.01 2jr2 h LEU 20 N -0.35 0.39 -0.44 1.67 3.38 -0.85 -2.53 115.31 116.57 2jr2 h LEU 20 Ca -0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2jr2 h LEU 20 Cb 0.27 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2jr2 h LEU 20 CO 0.05 0.56 0.20 -0.78 0.09 0.00 0.00 178.44 178.56 2jr2 h ASP 21 N 0.38 0.59 -0.69 -0.43 1.82 -0.03 0.18 116.42 118.24 2jr2 h ASP 21 Ca 0.07 -0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 2jr2 h ASP 21 Cb 0.46 -0.15 -0.03 0.00 0.68 0.00 0.00 39.33 40.29 2jr2 h ASP 21 CO 0.03 0.57 0.44 0.58 -1.61 0.00 0.00 179.24 179.24 2jr2 h VAL 22 N 0.57 1.19 -0.24 2.25 2.07 -1.21 0.21 116.25 121.08 2jr2 h VAL 22 Ca 0.15 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2jr2 h VAL 22 Cb 0.14 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2jr2 h VAL 22 CO -0.02 0.19 0.13 -0.07 0.02 0.00 0.00 177.57 177.82 2jr2 h LEU 23 N 0.93 0.31 -0.66 2.57 3.38 -0.98 -1.76 115.31 119.09 2jr2 h LEU 23 Ca 0.25 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 2jr2 h LEU 23 Cb -0.07 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2jr2 h LEU 23 CO -0.05 0.31 -0.16 0.58 0.09 0.00 0.00 178.44 179.21 2jr2 h VAL 24 N 0.28 1.27 -0.68 1.22 2.07 -0.43 -1.91 116.25 118.07 2jr2 h VAL 24 Ca 0.09 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.36 2jr2 h VAL 24 Cb 0.08 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 2jr2 h VAL 24 CO -0.01 0.44 0.41 0.50 0.02 0.00 0.00 177.57 178.93 2jr2 h LYS 25 N 0.77 0.77 0.00 1.57 3.64 -0.37 -0.63 116.57 122.31 2jr2 h LYS 25 Ca 0.12 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2jr2 h LYS 25 Cb 0.69 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2jr2 h LYS 25 CO 0.05 0.51 0.00 0.39 -2.27 0.00 0.00 179.45 178.13 2jr2 n GLU 26 N -4.71 0.34 -3.77 1.90 -0.58 -0.68 -4.91 120.64 108.24 2jr2 n GLU 26 Ca 0.07 0.01 -0.26 0.00 -0.42 0.00 0.00 57.16 56.56 2jr2 n GLU 26 Cb 0.11 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.52 2jr2 n GLU 26 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2jr2 n GLU 27 N -1.32 -5.97 -2.06 3.49 1.02 -0.24 -4.92 120.64 110.63 2jr2 n GLU 27 Ca 0.13 0.67 -0.38 0.00 -0.02 0.00 0.00 57.16 57.56 2jr2 n GLU 27 Cb 0.25 -5.52 0.01 0.00 -0.02 0.00 0.00 31.44 26.16 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 -3.40 2.68 0.63 2.62 -7.23 -0.89 -5.03 120.40 109.79 2jr2 s VAL 28 Ca 0.45 0.51 -0.10 0.00 -1.81 0.00 0.00 61.98 61.03 2jr2 s VAL 28 Cb -0.22 -3.26 -0.02 0.00 0.56 0.00 0.00 36.38 33.44 2jr2 s VAL 28 CO 0.80 -0.01 1.01 0.42 -0.31 0.00 0.00 175.10 177.01 2jr2 s THR 29 N -1.44 4.28 0.38 5.32 -4.23 -1.26 -4.82 115.64 113.87 2jr2 s THR 29 Ca 0.67 0.61 0.12 0.00 -1.18 0.00 0.00 61.69 61.91 2jr2 s THR 29 Cb -0.33 -3.72 0.34 0.00 1.34 0.00 0.00 72.50 70.13 2jr2 s THR 29 CO 0.40 -0.90 1.88 -0.65 -0.54 0.00 0.00 174.62 174.81 2jr2 h PRO 30 N -0.35 0.56 0.46 3.99 0.11 -1.98 0.40 132.00 135.19 2jr2 h PRO 30 Ca -0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2jr2 h PRO 30 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jr2 h PRO 30 CO 0.62 0.37 -0.22 0.22 -0.21 0.00 0.00 178.00 178.78 2jr2 h ASP 31 N 0.58 -0.52 -0.77 -2.05 1.82 -2.00 -1.96 116.42 111.52 2jr2 h ASP 31 Ca 0.43 -0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 56.99 2jr2 h ASP 31 Cb 0.82 0.14 -0.03 0.00 0.68 0.00 0.00 39.33 40.93 2jr2 h ASP 31 CO -0.18 -0.28 0.34 0.25 -1.61 0.00 0.00 179.24 177.76 2jr2 h LEU 32 N -0.74 1.03 -0.48 2.28 5.85 -1.73 -2.53 115.31 118.99 2jr2 h LEU 32 Ca -0.06 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2jr2 h LEU 32 Cb 0.53 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2jr2 h LEU 32 CO 0.10 0.89 0.29 0.00 -0.34 0.00 0.00 178.44 179.39 2jr2 h ALA 33 N 1.18 0.61 -0.56 1.25 0.00 -0.22 -1.17 119.26 120.34 2jr2 h ALA 33 Ca 0.26 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2jr2 h ALA 33 Cb 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2jr2 h ALA 33 CO -0.03 0.09 0.11 -0.07 0.00 0.00 0.00 179.25 179.35 2jr2 h LEU 34 N 0.64 0.83 -1.19 0.00 3.38 -1.16 0.39 115.31 118.21 2jr2 h LEU 34 Ca 0.17 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2jr2 h LEU 34 Cb -0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2jr2 h LEU 34 CO -0.03 0.83 -0.40 -0.03 0.09 0.00 0.00 178.44 178.90 2jr2 h MET 35 N 0.84 0.01 0.00 1.13 4.05 -1.03 0.79 114.93 120.73 2jr2 h MET 35 Ca 0.18 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.56 2jr2 h MET 35 Cb 0.34 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 2jr2 h MET 35 CO 0.00 0.41 -0.22 0.00 0.23 0.00 0.00 176.91 177.34 2jr2 h LEU 37 N -1.00 -0.02 -1.59 0.00 3.38 -0.20 -1.12 115.31 114.75 2jr2 h LEU 37 Ca -0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 2jr2 h LEU 37 Cb 1.03 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2jr2 h LEU 37 CO -0.04 0.23 0.07 1.23 0.09 0.00 0.00 178.44 180.02 2jr2 h GLY 38 N -0.27 0.35 1.00 0.83 0.00 -1.04 0.12 103.07 104.07 2jr2 h GLY 38 Ca -0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 47.33 47.03 2jr2 h GLY 38 CO 0.00 0.15 -0.34 -0.57 0.00 0.00 0.00 176.54 175.79 2jr2 h ASN 39 N 0.33 0.79 -0.56 0.19 -0.73 -1.53 -1.73 115.58 112.34 2jr2 h ASN 39 Ca 0.08 -0.49 -0.01 0.00 1.87 0.00 0.00 56.30 57.75 2jr2 h ASN 39 Cb 0.12 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.46 2jr2 h ASN 39 CO -0.01 1.12 0.29 0.00 -0.37 0.00 0.00 177.43 178.47 2jr2 h ALA 40 N 0.69 0.71 -0.32 1.57 0.00 -0.27 -1.01 119.26 120.64 2jr2 h ALA 40 Ca 0.04 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2jr2 h ALA 40 Cb 0.92 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2jr2 h ALA 40 CO 0.08 0.25 0.12 0.28 0.00 0.00 0.00 179.25 179.98 2jr2 h VAL 41 N 0.75 0.92 -0.52 0.00 2.07 -0.70 -0.36 116.25 118.41 2jr2 h VAL 41 Ca 0.19 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 2jr2 h VAL 41 Cb 0.08 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2jr2 h VAL 41 CO -0.03 0.05 0.27 0.74 0.02 0.00 0.00 177.57 178.62 2jr2 h THR 42 N 0.26 1.17 0.00 2.57 2.02 -1.02 0.54 112.91 118.45 2jr2 h THR 42 Ca 0.14 -0.44 -0.08 0.00 0.77 0.00 0.00 66.41 66.80 2jr2 h THR 42 Cb 0.10 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2jr2 h THR 42 CO -0.14 0.19 -0.40 -1.13 0.37 0.00 0.00 175.52 174.41 2jr2 h ASN 43 N 0.73 0.00 0.11 4.18 -1.24 -0.41 -2.82 115.58 116.13 2jr2 h ASN 43 Ca 0.19 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 56.98 2jr2 h ASN 43 Cb 0.04 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.09 2jr2 h ASN 43 CO -0.03 0.40 -1.07 0.40 -1.29 0.00 0.00 177.43 175.84 2jr2 h ILE 44 N 0.00 1.26 0.00 2.57 1.08 -0.09 -3.34 117.51 118.98 2jr2 h ILE 44 Ca -0.00 -2.43 -0.02 0.00 -0.39 0.00 0.00 64.86 62.02 2jr2 h ILE 44 Cb 1.01 2.91 -0.00 0.00 -3.07 0.00 0.00 36.82 37.66 2jr2 h ILE 44 CO 0.05 0.67 -0.08 0.40 -0.69 0.00 0.00 178.15 178.50 2jr2 h ILE 45 N -0.44 0.74 0.00 -0.67 2.04 -0.95 -0.06 117.51 118.17 2jr2 h ILE 45 Ca -0.23 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 2jr2 h ILE 45 Cb 1.62 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.88 2jr2 h ILE 45 CO 0.07 0.08 -0.10 0.00 0.00 0.00 0.00 178.15 178.19 2jr2 h ALA 46 N 1.92 1.12 -0.00 1.87 0.00 -1.62 -1.90 119.26 120.64 2jr2 h ALA 46 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2jr2 h ALA 46 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2jr2 h ALA 46 CO 0.01 0.13 -0.58 1.04 0.00 0.00 0.00 179.25 179.85 2jr2 n GLN 47 N -3.38 0.21 -2.69 0.00 6.02 -0.05 -4.88 117.38 112.61 2jr2 n GLN 47 Ca -0.01 -0.14 -0.41 0.00 -0.01 0.00 0.00 57.00 56.43 2jr2 n GLN 47 Cb 0.28 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.00 2jr2 n GLN 47 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2jr2 s VAL 48 N -2.89 4.29 0.40 5.09 1.01 -0.72 -5.01 120.40 122.58 2jr2 s VAL 48 Ca 0.13 1.99 -0.27 0.00 0.00 0.00 0.00 61.98 63.83 2jr2 s VAL 48 Cb 0.17 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 32.18 2jr2 s VAL 48 CO 0.70 0.35 1.44 -0.81 0.00 0.00 0.00 175.10 176.79 2jr2 n PRO 49 N 2.43 2.48 -0.23 2.72 -0.04 -1.26 -4.60 135.00 136.49 2jr2 n PRO 49 Ca 0.01 0.87 0.25 0.00 -0.04 0.00 0.00 63.50 64.60 2jr2 n PRO 49 Cb 0.48 -2.61 0.62 0.00 -0.04 0.00 0.00 33.50 31.95 2jr2 n PRO 49 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2jr2 h GLU 50 N 2.70 0.19 -0.71 0.54 5.08 -1.94 0.14 114.58 120.58 2jr2 h GLU 50 Ca -0.50 -0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.03 2jr2 h GLU 50 Cb 1.26 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 2jr2 h GLU 50 CO 0.63 0.13 0.50 0.77 -1.00 0.00 0.00 179.01 180.04 2jr2 h SER 51 N 0.20 0.12 0.00 1.42 0.02 -2.03 -2.40 113.55 110.87 2jr2 h SER 51 Ca 0.48 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 2jr2 h SER 51 Cb 1.54 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.06 2jr2 h SER 51 CO -0.11 0.06 0.00 2.29 -1.14 0.00 0.00 176.83 177.93 2jr2 n LYS 52 N -4.38 0.65 -0.18 3.45 2.85 -0.39 -4.80 118.16 115.35 2jr2 n LYS 52 Ca 0.14 -0.69 -0.07 0.00 -1.05 0.00 0.00 58.31 56.64 2jr2 n LYS 52 Cb 0.70 -0.76 0.02 0.00 -0.65 0.00 0.00 35.03 34.34 2jr2 n LYS 52 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 2jr2 h ARG 53 N 0.00 0.73 -0.09 -1.58 2.43 -0.25 0.40 114.38 116.01 2jr2 h ARG 53 Ca 0.00 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 58.94 2jr2 h ARG 53 Cb 0.53 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2jr2 h ARG 53 CO 0.00 0.54 -0.61 0.28 -1.51 0.00 0.00 179.97 178.67 2jr2 h VAL 54 N 0.71 1.37 -0.18 0.20 2.07 -1.86 -3.13 116.25 115.44 2jr2 h VAL 54 Ca 0.19 -1.97 -0.07 0.00 0.82 0.00 0.00 66.70 65.67 2jr2 h VAL 54 Cb 0.01 1.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2jr2 h VAL 54 CO -0.03 0.59 -0.16 0.00 0.02 0.00 0.00 177.57 177.98 2jr2 h ALA 55 N 1.12 0.26 -0.68 1.67 0.00 -1.67 -2.57 119.26 117.38 2jr2 h ALA 55 Ca -0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2jr2 h ALA 55 Cb 1.13 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2jr2 h ALA 55 CO 0.10 0.16 0.25 -0.39 0.00 0.00 0.00 179.25 179.37 2jr2 h VAL 56 N 0.08 1.25 -0.17 0.00 -1.51 -0.28 0.93 116.25 116.54 2jr2 h VAL 56 Ca 0.03 -0.80 -0.15 0.00 -1.23 0.00 0.00 66.70 64.55 2jr2 h VAL 56 Cb 0.69 0.49 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 2jr2 h VAL 56 CO 0.04 0.32 -0.53 1.62 -1.23 0.00 0.00 177.57 177.79 2jr2 h VAL 57 N 0.98 1.33 -0.16 7.19 3.04 -1.58 0.12 116.25 127.17 2jr2 h VAL 57 Ca 0.22 -1.77 -0.12 0.00 -1.01 0.00 0.00 66.70 64.02 2jr2 h VAL 57 Cb 0.24 1.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 2jr2 h VAL 57 CO -0.01 0.55 -0.38 0.44 -1.01 0.00 0.00 177.57 177.15 2jr2 h ASP 58 N 0.39 0.62 -0.58 3.17 5.19 -1.19 -1.57 116.42 122.44 2jr2 h ASP 58 Ca 0.01 -0.57 -0.09 0.00 -0.62 0.00 0.00 57.03 55.77 2jr2 h ASP 58 Cb 1.05 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.36 2jr2 h ASP 58 CO 0.10 1.08 0.03 0.78 -3.12 0.00 0.00 179.24 178.10 2jr2 h ASN 59 N 0.19 1.00 0.38 6.45 2.35 -0.78 -1.10 115.58 124.07 2jr2 h ASN 59 Ca -0.00 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.48 2jr2 h ASN 59 Cb 0.99 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 2jr2 h ASN 59 CO 0.08 1.04 -0.30 0.15 -1.65 0.00 0.00 177.43 176.75 2jr2 h PHE 60 N 0.95 -0.80 -0.62 1.19 3.57 -0.71 -0.32 116.94 120.21 2jr2 h PHE 60 Ca 0.18 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 2jr2 h PHE 60 Cb 0.51 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 2jr2 h PHE 60 CO 0.03 -0.44 0.12 1.79 -2.23 0.00 0.00 178.31 177.58 2jr2 h THR 61 N -0.68 1.25 0.71 4.41 1.35 -1.21 0.59 112.91 119.33 2jr2 h THR 61 Ca -0.03 -0.95 -0.03 0.00 -0.55 0.00 0.00 66.41 64.84 2jr2 h THR 61 Cb 0.59 0.65 0.01 0.00 -1.73 0.00 0.00 68.15 67.67 2jr2 h THR 61 CO -0.01 0.36 -0.34 0.50 -0.25 0.00 0.00 175.52 175.78 2jr2 h LYS 62 N 0.93 -0.91 -0.60 4.72 3.64 -1.09 -2.39 116.57 120.87 2jr2 h LYS 62 Ca 0.19 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 2jr2 h LYS 62 Cb 0.38 0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 2jr2 h LYS 62 CO 0.01 -0.58 0.25 0.00 -2.27 0.00 0.00 179.45 176.86 2jr2 h ALA 63 N -0.85 1.32 0.15 5.00 0.00 -0.95 -2.55 119.26 121.38 2jr2 h ALA 63 Ca -0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2jr2 h ALA 63 Cb 0.75 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2jr2 h ALA 63 CO 0.16 0.51 -0.07 1.25 0.00 0.00 0.00 179.25 181.10 2jr2 h LEU 64 N 0.85 -0.17 -0.44 0.00 6.46 -0.86 0.20 115.31 121.36 2jr2 h LEU 64 Ca 0.20 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 58.00 2jr2 h LEU 64 Cb 0.14 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 2jr2 h LEU 64 CO -0.02 -0.12 0.25 0.11 -0.62 0.00 0.00 178.44 178.03 2jr2 h LYS 65 N -0.20 0.48 0.00 1.25 1.57 -1.16 -1.39 116.57 117.11 2jr2 h LYS 65 Ca -0.02 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 2jr2 h LYS 65 Cb 0.16 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2jr2 h LYS 65 CO 0.03 0.32 -0.22 1.96 -0.57 0.00 0.00 179.45 180.97 2jr2 h GLN 66 N 0.49 0.00 0.00 3.15 7.50 -1.27 -0.62 115.11 124.36 2jr2 h GLN 66 Ca 0.18 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.33 2jr2 h GLN 66 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.57 2jr2 h GLN 66 CO -0.10 0.22 -0.17 0.77 -1.50 0.00 0.00 178.83 178.05 2jr2 h SER 67 N 0.00 0.00 0.15 1.46 0.02 -0.31 -0.18 113.55 114.69 2jr2 h SER 67 Ca -0.00 -0.02 -0.30 0.00 -0.84 0.00 0.00 61.79 60.63 2jr2 h SER 67 Cb 0.76 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.31 2jr2 h SER 67 CO 0.03 0.01 -1.50 0.58 -1.14 0.00 0.00 176.83 174.80 2jr2 h VAL 68 N 0.00 1.04 0.44 2.27 2.07 -0.67 -3.16 116.25 118.23 2jr2 h VAL 68 Ca 0.00 -2.46 -0.02 0.00 0.82 0.00 0.00 66.70 65.03 2jr2 h VAL 68 Cb 0.90 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 2jr2 h VAL 68 CO 0.00 0.77 -0.21 0.25 0.02 0.00 0.00 177.57 178.40 2jr2 h LEU 69 N -0.13 -0.50 -5.35 2.57 6.46 -1.15 -3.24 115.31 113.96 2jr2 h LEU 69 Ca -0.31 0.02 -0.69 0.00 -0.12 0.00 0.00 57.88 56.78 2jr2 h LEU 69 Cb 1.90 0.13 -0.09 0.00 -0.73 0.00 0.00 40.66 41.88 2jr2 h LEU 69 CO 0.12 -0.26 2.59 -0.62 -0.62 0.00 0.00 178.44 179.64 2jr2 n GLU 70 N -4.14 4.15 0.10 1.25 -0.58 -0.08 -4.67 120.64 116.67 2jr2 n GLU 70 Ca -0.07 -2.99 -0.05 0.00 -0.42 0.00 0.00 57.16 53.63 2jr2 n GLU 70 Cb 0.23 -2.63 -0.02 0.00 -0.57 0.00 0.00 31.44 28.46 2jr2 n GLU 70 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2jr2 h HIS 71 N 4.55 -0.31 -0.03 -0.32 2.76 -1.57 -3.43 115.15 116.80 2jr2 h HIS 71 Ca 0.72 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.88 2jr2 h HIS 71 Cb 0.36 0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.42 2jr2 h HIS 71 CO 1.68 -0.19 0.00 0.72 -1.30 0.00 0.00 177.93 178.84 2jr2 n HIS 72 N -4.55 0.00 -1.76 5.26 8.25 -1.26 -5.02 115.22 116.14 2jr2 n HIS 72 Ca -0.04 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.41 2jr2 n HIS 72 Cb 0.13 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.23 2jr2 n HIS 72 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jr2 n HIS 73 N 0.00 -1.03 -2.61 4.41 8.25 -1.26 -4.95 115.22 118.03 2jr2 n HIS 73 Ca 0.00 0.56 -0.43 0.00 -0.26 0.00 0.00 57.72 57.60 2jr2 n HIS 73 Cb 0.00 -2.08 -0.02 0.00 1.12 0.00 0.00 29.99 29.01 2jr2 n HIS 73 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jr2 s HIS 74 N -0.22 2.70 -0.03 4.41 0.00 -1.26 -4.83 115.29 116.05 2jr2 s HIS 74 Ca -0.05 0.49 0.11 0.00 -3.00 0.00 0.00 55.06 52.62 2jr2 s HIS 74 Cb 0.00 -4.45 -0.09 0.00 -4.00 0.00 0.00 32.58 24.04 2jr2 s HIS 74 CO 0.19 -1.45 1.27 1.25 -1.00 0.00 0.00 174.74 175.00 2jr2 h HIS 75 N 9.41 0.00 -0.03 0.38 6.17 -2.07 -3.57 115.15 125.44 2jr2 h HIS 75 Ca -0.24 0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.84 2jr2 h HIS 75 Cb 1.06 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.99 2jr2 h HIS 75 CO 1.01 0.76 0.00 1.58 0.71 0.00 0.00 177.93 181.98