#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrx h PRO 2 N 0.00 0.00 -5.90 2.12 0.11 -2.11 -3.38 132.00 122.84 2jrx h PRO 2 Ca 0.00 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.49 2jrx h PRO 2 Cb 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.03 2jrx h PRO 2 CO 0.00 0.00 1.86 -0.65 -0.21 0.00 0.00 178.00 179.00 2jrx s GLN 3 N -3.51 3.71 0.00 1.05 -1.52 -1.26 -4.58 119.66 113.55 2jrx s GLN 3 Ca -0.00 -1.62 0.14 0.00 -1.95 0.00 0.00 55.36 51.93 2jrx s GLN 3 Cb 0.08 -5.45 0.36 0.00 -0.22 0.00 0.00 33.01 27.78 2jrx s GLN 3 CO 0.30 -2.41 1.29 -0.89 -0.25 0.00 0.00 175.29 173.32 2jrx n ILE 4 N 6.70 0.90 -1.66 1.08 5.41 -1.26 -5.02 119.36 125.51 2jrx n ILE 4 Ca 0.44 -0.95 -0.45 0.00 1.00 0.00 0.00 62.75 62.78 2jrx n ILE 4 Cb 0.48 0.58 -0.03 0.00 -0.71 0.00 0.00 39.64 39.96 2jrx n ILE 4 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2jrx n SER 5 N 0.80 2.63 -1.03 4.38 7.64 -1.26 -4.84 113.62 121.93 2jrx n SER 5 Ca 0.14 1.14 -0.01 0.00 1.01 0.00 0.00 58.87 61.14 2jrx n SER 5 Cb 0.46 -1.40 0.07 0.00 -1.01 0.00 0.00 64.21 62.34 2jrx n SER 5 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2jrx n ARG 6 N 2.13 1.67 -4.38 1.43 3.00 -1.26 -4.72 116.66 114.54 2jrx n ARG 6 Ca 0.12 -0.74 -0.33 0.00 -0.00 0.00 0.00 57.85 56.90 2jrx n ARG 6 Cb 0.30 -1.52 -0.16 0.00 0.00 0.00 0.00 32.46 31.09 2jrx n ARG 6 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2jrx s TYR 7 N -1.16 2.75 0.22 -0.14 2.02 -1.26 -5.10 117.35 114.67 2jrx s TYR 7 Ca 0.13 -1.39 -0.30 0.00 -0.37 0.00 0.00 57.07 55.14 2jrx s TYR 7 Cb 0.11 -1.89 -0.08 0.00 -0.40 0.00 0.00 41.96 39.69 2jrx s TYR 7 CO 0.03 -0.67 1.14 -1.12 -1.57 0.00 0.00 175.55 173.37 2jrx s SER 8 N 1.05 7.19 0.39 2.29 0.01 -1.26 -4.92 113.70 118.45 2jrx s SER 8 Ca -0.01 2.21 0.08 0.00 1.31 0.00 0.00 55.95 59.54 2jrx s SER 8 Cb -0.14 -2.61 0.83 0.00 0.21 0.00 0.00 66.02 64.30 2jrx s SER 8 CO -0.06 -0.26 1.99 -2.24 0.41 0.00 0.00 173.24 173.08 2jrx h ASP 9 N 4.72 0.56 -0.16 2.44 2.03 -1.98 -0.31 116.42 123.71 2jrx h ASP 9 Ca -0.45 0.00 0.05 0.00 -0.73 0.00 0.00 57.03 55.90 2jrx h ASP 9 Cb 1.21 -0.12 -0.07 0.00 -0.83 0.00 0.00 39.33 39.52 2jrx h ASP 9 CO 0.71 0.37 -0.36 -0.33 -1.03 0.00 0.00 179.24 178.60 2jrx h GLU 10 N 0.64 -0.40 0.53 4.15 5.08 -1.99 -0.76 114.58 121.83 2jrx h GLU 10 Ca 0.27 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 2jrx h GLU 10 Cb 0.24 0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.59 2jrx h GLU 10 CO -0.08 -0.27 -0.25 1.96 -1.00 0.00 0.00 179.01 179.37 2jrx h GLN 11 N -0.42 -0.69 0.30 2.33 4.20 -1.63 -2.52 115.11 116.68 2jrx h GLN 11 Ca 0.10 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2jrx h GLN 11 Cb 0.58 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 2jrx h GLN 11 CO -0.39 -0.42 -0.40 0.28 -0.67 0.00 0.00 178.83 177.23 2jrx h VAL 12 N -0.79 0.20 -0.08 -0.54 2.07 -0.92 0.20 116.25 116.39 2jrx h VAL 12 Ca -0.07 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.30 2jrx h VAL 12 Cb 0.58 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2jrx h VAL 12 CO 0.12 0.00 -0.59 -0.33 0.02 0.00 0.00 177.57 176.79 2jrx h GLU 13 N -0.75 0.27 0.10 1.57 5.08 -1.23 -0.24 114.58 119.39 2jrx h GLU 13 Ca -0.01 -0.18 -0.28 0.00 -1.00 0.00 0.00 59.36 57.88 2jrx h GLU 13 Cb 0.70 0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.99 2jrx h GLU 13 CO -0.12 0.78 -1.19 0.37 -1.00 0.00 0.00 179.01 177.85 2jrx h GLN 14 N 0.21 0.54 -0.28 2.33 5.75 -1.30 -2.05 115.11 120.30 2jrx h GLN 14 Ca -0.00 -0.71 -0.12 0.00 -0.15 0.00 0.00 58.65 57.66 2jrx h GLN 14 Cb 1.09 0.23 -0.00 0.00 1.07 0.00 0.00 27.48 29.87 2jrx h GLN 14 CO 0.09 1.31 -0.31 1.25 -2.65 0.00 0.00 178.83 178.52 2jrx h LEU 15 N 0.24 0.75 -0.96 -2.39 5.85 -0.52 -1.70 115.31 116.59 2jrx h LEU 15 Ca -0.16 -0.48 -0.02 0.00 0.84 0.00 0.00 57.88 58.05 2jrx h LEU 15 Cb 1.86 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.64 2jrx h LEU 15 CO 0.22 1.09 0.43 0.25 -0.34 0.00 0.00 178.44 180.08 2jrx h LEU 16 N 0.44 1.05 -1.07 2.25 6.46 -1.10 0.58 115.31 123.91 2jrx h LEU 16 Ca 0.04 -0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 57.66 2jrx h LEU 16 Cb 0.89 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.52 2jrx h LEU 16 CO 0.08 0.86 0.26 0.00 -0.62 0.00 0.00 178.44 179.02 2jrx h ALA 17 N 1.30 1.27 -0.12 1.25 0.00 -1.22 0.16 119.26 121.90 2jrx h ALA 17 Ca 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2jrx h ALA 17 Cb 0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2jrx h ALA 17 CO -0.04 0.54 -0.01 1.49 0.00 0.00 0.00 179.25 181.23 2jrx h GLU 18 N 0.91 0.21 -0.69 0.00 4.57 -0.32 0.29 114.58 119.54 2jrx h GLU 18 Ca 0.22 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.35 2jrx h GLU 18 Cb 0.16 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.69 2jrx h GLU 18 CO -0.02 0.48 0.43 -0.07 -1.18 0.00 0.00 179.01 178.65 2jrx h LEU 19 N -0.08 0.71 -0.82 1.64 -0.00 -0.61 0.10 115.31 116.25 2jrx h LEU 19 Ca 0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.82 2jrx h LEU 19 Cb 0.39 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 40.88 2jrx h LEU 19 CO 0.01 0.49 -0.13 0.25 -0.00 0.00 0.00 178.44 179.06 2jrx h LEU 20 N 0.85 0.74 -1.02 1.67 7.12 -0.59 -1.12 115.31 122.95 2jrx h LEU 20 Ca 0.28 -0.23 -0.00 0.00 0.13 0.00 0.00 57.88 58.06 2jrx h LEU 20 Cb 0.02 -0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 39.91 2jrx h LEU 20 CO -0.11 0.89 0.57 -1.13 -0.13 0.00 0.00 178.44 178.53 2jrx h ASN 21 N 0.67 1.09 -0.05 1.25 -1.24 0.57 0.39 115.58 118.27 2jrx h ASN 21 Ca 0.11 -0.06 -0.14 0.00 0.71 0.00 0.00 56.30 56.93 2jrx h ASN 21 Cb 0.61 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 2jrx h ASN 21 CO 0.04 0.82 -0.42 0.58 -1.29 0.00 0.00 177.43 177.16 2jrx h VAL 22 N 1.26 1.30 0.16 2.57 2.07 -0.70 -0.48 116.25 122.44 2jrx h VAL 22 Ca 0.33 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 2jrx h VAL 22 Cb -0.08 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2jrx h VAL 22 CO -0.06 0.50 -0.08 0.25 0.02 0.00 0.00 177.57 178.20 2jrx h LEU 23 N 0.47 -0.19 -0.58 2.57 5.85 -0.21 -2.93 115.31 120.30 2jrx h LEU 23 Ca 0.04 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2jrx h LEU 23 Cb 0.93 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2jrx h LEU 23 CO 0.08 0.07 0.00 1.05 -0.34 0.00 0.00 178.44 179.30 2jrx h GLU 24 N -0.45 0.00 -0.60 1.25 4.11 -0.25 0.43 114.58 119.07 2jrx h GLU 24 Ca -0.02 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.42 2jrx h GLU 24 Cb 0.35 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2jrx h GLU 24 CO 0.04 0.00 0.40 -0.22 0.07 0.00 0.00 179.01 179.30 2jrx h LYS 25 N 0.00 0.77 0.00 1.06 3.64 -0.88 -3.18 116.57 117.98 2jrx h LYS 25 Ca 0.00 -0.05 -0.28 0.00 -1.27 0.00 0.00 60.65 59.06 2jrx h LYS 25 Cb 0.48 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.07 2jrx h LYS 25 CO 0.00 0.51 -2.04 0.72 -2.27 0.00 0.00 179.45 176.37 2jrx n HIS 26 N -4.45 0.00 -2.76 1.91 8.25 -0.77 -5.08 115.22 112.32 2jrx n HIS 26 Ca 0.06 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.50 2jrx n HIS 26 Cb 0.06 -0.75 0.00 0.00 1.12 0.00 0.00 29.99 30.42 2jrx n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2jrx n LYS 27 N -2.56 -3.21 -4.21 -0.41 5.02 0.14 -5.03 118.16 107.91 2jrx n LYS 27 Ca -0.25 2.62 -0.35 0.00 -2.02 0.00 0.00 58.31 58.31 2jrx n LYS 27 Cb 0.99 -5.30 -0.08 0.00 -0.02 0.00 0.00 35.03 30.62 2jrx n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jrx s ALA 28 N -1.79 3.48 0.93 7.82 0.00 -1.26 -5.05 121.76 125.89 2jrx s ALA 28 Ca 0.05 -0.78 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 2jrx s ALA 28 Cb -0.01 -1.62 0.15 0.00 0.00 0.00 0.00 23.12 21.64 2jrx s ALA 28 CO 0.76 0.61 1.11 -1.25 0.00 0.00 0.00 175.76 176.99 2jrx s PRO 29 N -1.06 0.95 0.53 0.00 0.04 -1.26 -4.67 135.00 129.53 2jrx s PRO 29 Ca 0.15 1.28 0.18 0.00 0.04 0.00 0.00 61.00 62.66 2jrx s PRO 29 Cb -0.12 -1.74 1.33 0.00 0.04 0.00 0.00 34.50 34.02 2jrx s PRO 29 CO 0.05 -2.59 2.14 1.15 0.04 0.00 0.00 177.00 177.78 2jrx h THR 30 N -1.83 0.92 0.04 1.26 2.02 -1.99 -0.42 112.91 112.92 2jrx h THR 30 Ca -0.47 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 2jrx h THR 30 Cb 1.27 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.65 2jrx h THR 30 CO 0.46 0.00 -0.02 0.44 0.37 0.00 0.00 175.52 176.77 2jrx h ASP 31 N 0.00 -0.05 0.03 4.18 5.19 -2.00 -2.68 116.42 121.10 2jrx h ASP 31 Ca 0.03 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.21 2jrx h ASP 31 Cb 0.14 0.01 0.01 0.00 0.18 0.00 0.00 39.33 39.67 2jrx h ASP 31 CO -0.00 -0.03 -0.91 0.25 -3.12 0.00 0.00 179.24 175.43 2jrx h LEU 32 N -0.05 0.82 -0.31 1.55 5.85 -1.53 -1.99 115.31 119.64 2jrx h LEU 32 Ca -0.00 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.12 2jrx h LEU 32 Cb 0.04 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 2jrx h LEU 32 CO 0.01 1.40 0.21 0.77 -0.34 0.00 0.00 178.44 180.48 2jrx h SER 33 N 0.41 0.35 0.18 1.25 4.64 -1.15 0.24 113.55 119.47 2jrx h SER 33 Ca -0.09 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.11 2jrx h SER 33 Cb 1.54 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.53 2jrx h SER 33 CO 0.18 0.26 -0.44 -0.07 -0.87 0.00 0.00 176.83 175.89 2jrx h LEU 34 N 0.42 0.34 -0.04 5.97 3.38 -1.51 -1.52 115.31 122.35 2jrx h LEU 34 Ca 0.12 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jrx h LEU 34 Cb -0.04 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2jrx h LEU 34 CO -0.03 0.74 0.01 -0.03 0.09 0.00 0.00 178.44 179.22 2jrx h MET 35 N 0.27 0.07 -0.17 1.13 4.05 -0.62 0.34 114.93 119.99 2jrx h MET 35 Ca 0.02 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2jrx h MET 35 Cb 0.88 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.66 2jrx h MET 35 CO 0.07 0.28 0.05 0.28 0.23 0.00 0.00 176.91 177.83 2jrx h VAL 36 N -0.16 1.19 -0.72 -5.77 2.07 -0.50 -2.72 116.25 109.64 2jrx h VAL 36 Ca 0.01 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 2jrx h VAL 36 Cb 0.25 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 2jrx h VAL 36 CO 0.00 0.18 0.34 -0.07 0.02 0.00 0.00 177.57 178.04 2jrx h LEU 37 N 0.10 0.93 -0.14 2.57 3.38 -1.27 0.13 115.31 121.01 2jrx h LEU 37 Ca 0.06 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2jrx h LEU 37 Cb 0.23 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2jrx h LEU 37 CO -0.00 0.79 -0.03 1.23 0.09 0.00 0.00 178.44 180.52 2jrx h GLY 38 N 1.08 0.10 1.00 0.83 0.00 -0.78 0.26 103.07 105.56 2jrx h GLY 38 Ca 0.25 0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.53 2jrx h GLY 38 CO -0.03 -0.05 -0.05 -0.57 0.00 0.00 0.00 176.54 175.84 2jrx h ASN 39 N 0.01 0.82 0.10 0.19 -0.73 -1.17 -2.24 115.58 112.55 2jrx h ASN 39 Ca 0.07 -0.33 0.00 0.00 1.87 0.00 0.00 56.30 57.91 2jrx h ASN 39 Cb 0.10 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.46 2jrx h ASN 39 CO -0.14 0.96 -0.10 -0.03 -0.37 0.00 0.00 177.43 177.75 2jrx h MET 40 N 0.66 -0.21 -0.78 6.67 4.05 -0.38 -1.02 114.93 123.92 2jrx h MET 40 Ca 0.12 0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.50 2jrx h MET 40 Cb 0.57 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.38 2jrx h MET 40 CO 0.03 -0.14 0.29 0.28 0.23 0.00 0.00 176.91 177.60 2jrx h VAL 41 N -0.22 1.26 -0.05 -5.77 2.07 -0.52 -1.41 116.25 111.61 2jrx h VAL 41 Ca 0.01 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 66.70 2jrx h VAL 41 Cb 0.22 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2jrx h VAL 41 CO -0.03 0.34 -0.12 0.74 0.02 0.00 0.00 177.57 178.53 2jrx h THR 42 N 1.14 0.70 -0.16 2.57 2.02 -1.09 0.02 112.91 118.10 2jrx h THR 42 Ca 0.26 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.45 2jrx h THR 42 Cb 0.25 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 2jrx h THR 42 CO -0.02 0.00 0.08 0.78 0.37 0.00 0.00 175.52 176.73 2jrx h ASN 43 N -0.17 0.13 0.25 4.18 2.35 -0.94 -0.97 115.58 120.41 2jrx h ASN 43 Ca 0.06 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2jrx h ASN 43 Cb 0.25 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2jrx h ASN 43 CO -0.15 0.10 -0.12 0.25 -1.65 0.00 0.00 177.43 175.85 2jrx h LEU 44 N 0.18 -0.28 -0.28 1.61 5.85 -1.02 -1.84 115.31 119.53 2jrx h LEU 44 Ca 0.06 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2jrx h LEU 44 Cb 0.01 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2jrx h LEU 44 CO -0.04 -0.14 0.17 0.40 -0.34 0.00 0.00 178.44 178.49 2jrx h ILE 45 N -0.41 1.10 -0.50 4.05 2.04 -0.95 0.36 117.51 123.19 2jrx h ILE 45 Ca -0.03 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 2jrx h ILE 45 Cb 0.31 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2jrx h ILE 45 CO 0.06 0.10 0.07 -1.13 0.00 0.00 0.00 178.15 177.24 2jrx h ASN 46 N 0.36 0.75 0.29 1.72 -1.24 -1.09 -1.09 115.58 115.28 2jrx h ASN 46 Ca 0.10 -0.15 -0.32 0.00 0.71 0.00 0.00 56.30 56.64 2jrx h ASN 46 Cb 0.01 -0.20 -0.06 0.00 0.73 0.00 0.00 38.32 38.80 2jrx h ASN 46 CO -0.02 0.78 -1.98 0.35 -1.29 0.00 0.00 177.43 175.27 2jrx n THR 47 N -4.25 1.49 -0.00 -3.57 -2.24 -0.70 -4.41 114.28 100.60 2jrx n THR 47 Ca 0.03 -0.82 -0.15 0.00 -2.27 0.00 0.00 64.05 60.85 2jrx n THR 47 Cb 0.26 -0.78 -0.14 0.00 -2.10 0.00 0.00 70.33 67.56 2jrx n THR 47 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2jrx h SER 48 N 0.00 0.21 -3.18 3.42 0.87 -0.93 -3.46 113.55 110.48 2jrx h SER 48 Ca -0.39 -0.48 -0.58 0.00 -1.23 0.00 0.00 61.79 59.12 2jrx h SER 48 Cb 2.09 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 63.93 2jrx h SER 48 CO 0.06 1.43 -0.08 -0.63 -0.53 0.00 0.00 176.83 177.07 2jrx s ILE 49 N -2.58 4.82 0.44 2.23 1.01 -0.42 -5.03 121.20 121.67 2jrx s ILE 49 Ca -0.13 1.10 -0.25 0.00 0.00 0.00 0.00 60.65 61.37 2jrx s ILE 49 Cb 0.07 -3.84 -0.09 0.00 0.01 0.00 0.00 42.46 38.61 2jrx s ILE 49 CO 0.80 0.55 1.20 0.00 0.00 0.00 0.00 174.94 177.49 2jrx n ALA 50 N 1.71 0.98 0.32 9.38 0.00 -1.26 -4.76 120.51 126.88 2jrx n ALA 50 Ca -0.11 0.24 0.19 0.00 0.00 0.00 0.00 53.44 53.75 2jrx n ALA 50 Cb 0.51 -2.22 1.00 0.00 0.00 0.00 0.00 19.45 18.74 2jrx n ALA 50 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2jrx h PRO 51 N 1.83 0.00 0.16 0.00 0.11 -1.95 -3.05 132.00 129.10 2jrx h PRO 51 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2jrx h PRO 51 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2jrx h PRO 51 CO 0.59 0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 178.30 2jrx h ALA 52 N 1.70 -0.55 -0.47 -0.75 0.00 -2.00 -3.35 119.26 113.83 2jrx h ALA 52 Ca 0.01 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2jrx h ALA 52 Cb 0.35 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2jrx h ALA 52 CO -0.00 -0.53 0.07 0.00 0.00 0.00 0.00 179.25 178.79 2jrx n GLN 53 N -3.02 3.59 -0.17 0.00 0.00 -1.19 -4.33 117.38 112.26 2jrx n GLN 53 Ca -0.03 -2.30 -0.02 0.00 0.00 0.00 0.00 57.00 54.65 2jrx n GLN 53 Cb 0.08 -2.04 0.07 0.00 0.00 0.00 0.00 30.24 28.35 2jrx n GLN 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jrx h ARG 54 N 2.61 0.15 -0.21 2.61 3.08 -1.68 -0.83 114.38 120.12 2jrx h ARG 54 Ca 0.07 -0.01 -0.20 0.00 0.07 0.00 0.00 59.98 59.91 2jrx h ARG 54 Cb 1.71 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.73 2jrx h ARG 54 CO 0.43 0.10 -0.65 1.96 -1.07 0.00 0.00 179.97 180.74 2jrx h GLN 55 N 0.15 0.77 -0.58 0.04 4.20 -1.87 -2.07 115.11 115.75 2jrx h GLN 55 Ca 0.26 -0.55 0.02 0.00 0.06 0.00 0.00 58.65 58.44 2jrx h GLN 55 Cb 0.39 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 2jrx h GLN 55 CO -0.41 1.17 0.37 0.00 -0.67 0.00 0.00 178.83 179.29 2jrx h ALA 56 N 0.70 0.75 -0.08 3.87 0.00 -1.72 -0.20 119.26 122.57 2jrx h ALA 56 Ca -0.01 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2jrx h ALA 56 Cb 1.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2jrx h ALA 56 CO 0.13 0.13 -0.63 0.82 0.00 0.00 0.00 179.25 179.70 2jrx h ILE 57 N 0.74 1.38 -0.61 0.00 2.04 -1.16 -1.93 117.51 117.98 2jrx h ILE 57 Ca 0.23 -2.02 -0.05 0.00 1.00 0.00 0.00 64.86 64.02 2jrx h ILE 57 Cb -0.03 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 2jrx h ILE 57 CO -0.08 0.60 0.18 0.00 0.00 0.00 0.00 178.15 178.86 2jrx h ALA 58 N 1.12 1.18 -0.15 1.87 0.00 -0.78 0.79 119.26 123.30 2jrx h ALA 58 Ca -0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 2jrx h ALA 58 Cb 1.15 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2jrx h ALA 58 CO 0.10 0.57 -0.28 -0.91 0.00 0.00 0.00 179.25 178.74 2jrx h ASN 59 N 0.89 0.50 -0.53 0.00 2.35 -0.89 -1.53 115.58 116.36 2jrx h ASN 59 Ca 0.20 -0.55 -0.06 0.00 -0.55 0.00 0.00 56.30 55.34 2jrx h ASN 59 Cb 0.27 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 2jrx h ASN 59 CO -0.01 0.95 0.08 0.77 -1.65 0.00 0.00 177.43 177.58 2jrx h SER 60 N 0.06 0.85 -0.82 5.81 4.64 -1.19 -1.82 113.55 121.08 2jrx h SER 60 Ca 0.01 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 2jrx h SER 60 Cb 0.87 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.69 2jrx h SER 60 CO 0.06 0.90 0.46 0.15 -0.87 0.00 0.00 176.83 177.53 2jrx h PHE 61 N 0.77 1.12 -0.33 4.77 3.57 -0.88 0.61 116.94 126.57 2jrx h PHE 61 Ca 0.16 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.67 2jrx h PHE 61 Cb 0.41 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 2jrx h PHE 61 CO 0.03 0.77 0.15 0.00 -2.23 0.00 0.00 178.31 177.03 2jrx h ALA 62 N 1.35 0.40 -0.04 2.41 0.00 -0.71 0.80 119.26 123.47 2jrx h ALA 62 Ca 0.29 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 2jrx h ALA 62 Cb 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2jrx h ALA 62 CO -0.05 -0.24 -0.69 0.00 0.00 0.00 0.00 179.25 178.27 2jrx h ARG 63 N 0.31 0.19 -0.78 0.00 -0.00 -1.02 -2.24 114.38 110.84 2jrx h ARG 63 Ca 0.14 -0.15 -0.03 0.00 -0.50 0.00 0.00 59.98 59.44 2jrx h ARG 63 Cb 0.08 0.03 -0.04 0.00 0.00 0.00 0.00 29.97 30.04 2jrx h ARG 63 CO -0.12 0.81 0.38 0.00 0.00 0.00 0.00 179.97 181.04 2jrx h ALA 64 N 1.15 1.01 -0.18 0.04 0.00 -0.42 0.19 119.26 121.04 2jrx h ALA 64 Ca -0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2jrx h ALA 64 Cb 1.23 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2jrx h ALA 64 CO 0.10 0.57 0.10 1.25 0.00 0.00 0.00 179.25 181.27 2jrx h LEU 65 N 1.11 0.24 -1.48 0.00 5.85 -0.69 -1.97 115.31 118.37 2jrx h LEU 65 Ca 0.27 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 2jrx h LEU 65 Cb 0.12 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2jrx h LEU 65 CO -0.03 0.27 -0.18 1.56 -0.34 0.00 0.00 178.44 179.72 2jrx h GLN 66 N 0.18 0.00 0.00 1.25 4.20 -1.07 -1.16 115.11 118.52 2jrx h GLN 66 Ca 0.06 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 2jrx h GLN 66 Cb 0.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2jrx h GLN 66 CO -0.01 0.18 -0.19 0.77 -0.67 0.00 0.00 178.83 178.91 2jrx h SER 67 N 0.00 0.00 1.02 1.46 0.02 -0.28 -3.10 113.55 112.67 2jrx h SER 67 Ca -0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 2jrx h SER 67 Cb 0.57 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 2jrx h SER 67 CO 0.02 0.19 -1.04 0.28 -1.14 0.00 0.00 176.83 175.15 2jrx h SER 68 N 0.00 0.00 -2.71 3.07 0.02 -0.48 -3.42 113.55 110.04 2jrx h SER 68 Ca -0.00 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.32 2jrx h SER 68 Cb 1.00 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.40 2jrx h SER 68 CO 0.02 0.72 0.55 -0.63 -1.14 0.00 0.00 176.83 176.35 2jrx s ILE 69 N -2.83 4.33 0.36 3.27 1.01 -0.77 -5.02 121.20 121.55 2jrx s ILE 69 Ca 0.00 -0.29 -0.28 0.00 0.00 0.00 0.00 60.65 60.09 2jrx s ILE 69 Cb 0.09 -4.67 -0.10 0.00 0.01 0.00 0.00 42.46 37.79 2jrx s ILE 69 CO 0.79 -1.42 1.33 0.21 0.00 0.00 0.00 174.94 175.85 2jrx s ASN 70 N 3.58 6.55 0.40 3.58 2.47 -1.26 -4.89 114.94 125.38 2jrx s ASN 70 Ca 0.23 2.73 0.28 0.00 0.42 0.00 0.00 52.86 56.52 2jrx s ASN 70 Cb -0.16 -2.65 1.36 0.00 -1.45 0.00 0.00 41.25 38.35 2jrx s ASN 70 CO 0.11 -0.69 1.86 1.05 -3.72 0.00 0.00 177.10 175.71 2jrx h GLU 71 N 3.08 0.00 0.00 0.43 4.11 -1.95 -3.48 114.58 116.77 2jrx h GLU 71 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2jrx h GLU 71 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2jrx h GLU 71 CO 0.64 0.00 0.00 -3.47 0.07 0.00 0.00 179.01 176.25 2jrx n ASP 72 N -2.55 -2.27 -3.79 3.06 -0.08 -1.26 -4.82 116.55 104.85 2jrx n ASP 72 Ca -0.00 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.04 2jrx n ASP 72 Cb 0.16 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.44 2jrx n ASP 72 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2jrx s LYS 73 N 0.00 0.72 0.00 -0.67 -0.14 -1.26 -4.99 119.74 113.40 2jrx s LYS 73 Ca 0.00 0.06 0.24 0.00 -1.36 0.00 0.00 55.97 54.90 2jrx s LYS 73 Cb 0.00 -1.06 1.23 0.00 -1.68 0.00 0.00 37.83 36.32 2jrx s LYS 73 CO 0.00 -0.30 1.78 0.00 -0.76 0.00 0.00 175.35 176.07 2jrx n ALA 74 N 5.12 2.23 -4.02 5.17 0.00 -1.26 -4.51 120.51 123.24 2jrx n ALA 74 Ca -0.08 -0.12 -0.31 0.00 0.00 0.00 0.00 53.44 52.94 2jrx n ALA 74 Cb 0.50 -1.38 -0.16 0.00 0.00 0.00 0.00 19.45 18.40 2jrx n ALA 74 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2jrx s HIS 75 N -2.49 2.27 -1.07 0.00 3.76 -1.26 -5.06 115.29 111.43 2jrx s HIS 75 Ca 0.24 -1.28 -0.22 0.00 -0.15 0.00 0.00 55.06 53.65 2jrx s HIS 75 Cb 0.16 -1.65 0.04 0.00 1.11 0.00 0.00 32.58 32.25 2jrx s HIS 75 CO 0.35 -0.69 1.55 -1.17 -0.85 0.00 0.00 174.74 173.94 2jrx s LEU 76 N 1.43 3.54 -0.98 0.89 0.20 -1.26 -4.91 118.68 117.58 2jrx s LEU 76 Ca 0.04 -1.61 -0.18 0.00 0.69 0.00 0.00 54.13 53.08 2jrx s LEU 76 Cb -0.13 -2.57 0.14 0.00 -0.43 0.00 0.00 46.19 43.20 2jrx s LEU 76 CO -0.11 -1.56 1.18 -0.70 -0.29 0.00 0.00 176.35 174.88 2jrx s GLU 77 N 5.00 3.69 0.01 1.98 2.56 -1.26 -4.83 118.70 125.84 2jrx s GLU 77 Ca 0.50 -1.90 -0.07 0.00 0.00 0.00 0.00 54.97 53.50 2jrx s GLU 77 Cb 0.00 -4.95 -0.30 0.00 2.00 0.00 0.00 34.13 30.89 2jrx s GLU 77 CO -0.05 -1.77 0.88 1.25 -0.56 0.00 0.00 175.26 175.01 2jrx h HIS 78 N 8.54 0.59 -3.71 5.30 -0.00 -2.06 -3.43 115.15 120.39 2jrx h HIS 78 Ca 0.19 -0.43 -0.65 0.00 -0.00 0.00 0.00 60.37 59.48 2jrx h HIS 78 Cb 1.00 -0.02 -0.38 0.00 -0.00 0.00 0.00 27.41 28.00 2jrx h HIS 78 CO 1.16 1.45 -0.77 -1.58 -0.00 0.00 0.00 177.93 178.19 2jrx s HIS 79 N -2.61 3.12 0.15 5.26 5.65 -1.26 -5.09 115.29 120.50 2jrx s HIS 79 Ca -0.10 -2.37 -0.31 0.00 0.25 0.00 0.00 55.06 52.54 2jrx s HIS 79 Cb 0.06 -2.15 -0.08 0.00 -1.18 0.00 0.00 32.58 29.23 2jrx s HIS 79 CO 0.87 -0.88 1.35 -1.58 -0.65 0.00 0.00 174.74 173.86 2jrx s HIS 80 N 1.14 3.25 -0.15 3.88 2.46 -1.26 -4.93 115.29 119.68 2jrx s HIS 80 Ca -0.01 1.07 -0.29 0.00 0.47 0.00 0.00 55.06 56.30 2jrx s HIS 80 Cb -0.19 -3.64 -0.05 0.00 -0.13 0.00 0.00 32.58 28.57 2jrx s HIS 80 CO -0.08 -2.16 1.82 -1.01 -2.47 0.00 0.00 174.74 170.84 2jrx s HIS 81 N 0.72 1.72 -0.56 3.88 3.76 -1.26 -4.93 115.29 118.61 2jrx s HIS 81 Ca 0.61 0.28 -0.25 0.00 -0.15 0.00 0.00 55.06 55.56 2jrx s HIS 81 Cb -0.36 -4.02 0.04 0.00 1.11 0.00 0.00 32.58 29.34 2jrx s HIS 81 CO 0.33 -3.84 0.98 -1.58 -0.85 0.00 0.00 174.74 169.77 2jrx s HIS 82 N 5.54 2.76 0.00 1.40 2.46 -1.26 -5.31 115.29 120.87 2jrx s HIS 82 Ca 0.81 0.00 0.00 0.00 0.47 0.00 0.00 55.06 56.34 2jrx s HIS 82 Cb -0.31 -4.14 0.00 0.00 -0.13 0.00 0.00 32.58 27.99 2jrx s HIS 82 CO 0.33 -1.41 0.00 1.58 -2.47 0.00 0.00 174.74 172.77