#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 0.16 -6.41 0.03 0.11 -2.01 -3.45 132.00 120.43 2jrx h PRO 2 Ca 0.00 -0.10 -0.54 0.00 0.11 0.00 0.00 66.00 65.47 2jrx h PRO 2 Cb 0.00 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.09 2jrx h PRO 2 CO 0.00 0.67 -0.14 -0.65 -0.21 0.00 0.00 178.00 177.67 2jrx s GLN 3 N -3.82 3.77 -0.55 1.05 -1.52 -1.26 -5.00 119.66 112.33 2jrx s GLN 3 Ca -0.03 0.21 -0.27 0.00 -1.95 0.00 0.00 55.36 53.32 2jrx s GLN 3 Cb 0.13 -2.67 -0.02 0.00 -0.22 0.00 0.00 33.01 30.23 2jrx s GLN 3 CO 0.78 0.33 1.86 0.96 -0.25 0.00 0.00 175.29 178.97 2jrx s ILE 4 N -1.82 3.38 0.00 1.08 -4.36 -1.19 -4.37 121.20 113.91 2jrx s ILE 4 Ca 0.46 0.27 0.00 0.00 -0.26 0.00 0.00 60.65 61.12 2jrx s ILE 4 Cb -0.11 -3.85 0.00 0.00 1.25 0.00 0.00 42.46 39.75 2jrx s ILE 4 CO 0.22 -0.77 0.00 -1.20 0.24 0.00 0.00 174.94 173.43 2jrx n SER 5 N 12.34 0.00 -0.34 4.36 7.64 -1.26 -1.24 113.62 135.12 2jrx n SER 5 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2jrx n SER 5 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.00 0.00 -4.66 1.43 0.63 -1.26 -5.06 116.66 107.74 2jrx n ARG 6 Ca 0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 2jrx n ARG 6 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 2jrx n ARG 6 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2jrx s TYR 7 N 0.00 1.80 0.22 -0.14 1.51 -0.37 -5.09 117.35 115.28 2jrx s TYR 7 Ca 0.00 -1.13 0.08 0.00 -1.01 0.00 0.00 57.07 55.01 2jrx s TYR 7 Cb 0.00 -1.39 -0.04 0.00 -0.11 0.00 0.00 41.96 40.41 2jrx s TYR 7 CO 0.00 -0.03 0.03 0.45 -1.11 0.00 0.00 175.55 174.89 2jrx s SER 8 N -3.77 4.82 0.06 2.29 0.15 -1.26 -3.16 113.70 112.83 2jrx s SER 8 Ca 0.12 -0.46 -0.38 0.00 0.70 0.00 0.00 55.95 55.93 2jrx s SER 8 Cb 0.01 -1.02 -0.21 0.00 -1.71 0.00 0.00 66.02 63.10 2jrx s SER 8 CO 0.08 0.03 1.57 0.44 1.20 0.00 0.00 173.24 176.56 2jrx h ASP 9 N 2.19 -1.18 -0.90 5.45 5.19 -2.00 -2.77 116.42 122.40 2jrx h ASP 9 Ca -0.46 0.05 0.14 0.00 -0.62 0.00 0.00 57.03 56.14 2jrx h ASP 9 Cb 1.23 0.32 -0.07 0.00 0.18 0.00 0.00 39.33 40.98 2jrx h ASP 9 CO 0.59 -0.82 0.58 -0.08 -3.12 0.00 0.00 179.24 176.40 2jrx h GLU 10 N -1.34 0.68 0.70 3.56 4.57 -1.97 0.15 114.58 120.94 2jrx h GLU 10 Ca -0.13 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 57.97 2jrx h GLU 10 Cb 1.03 -0.15 0.01 0.00 -0.16 0.00 0.00 28.75 29.48 2jrx h GLU 10 CO 0.20 0.45 -0.33 0.37 -1.18 0.00 0.00 179.01 178.52 2jrx h GLN 11 N 0.71 -0.90 -0.50 1.92 4.15 -1.96 -1.04 115.11 117.49 2jrx h GLN 11 Ca 0.46 0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.83 2jrx h GLN 11 Cb 0.72 0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.60 2jrx h GLN 11 CO -0.21 -0.60 -0.10 0.28 -1.93 0.00 0.00 178.83 176.27 2jrx h VAL 12 N -1.04 1.27 0.00 2.39 2.07 -1.18 -2.80 116.25 116.96 2jrx h VAL 12 Ca -0.10 -1.23 -0.05 0.00 0.82 0.00 0.00 66.70 66.14 2jrx h VAL 12 Cb 0.72 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2jrx h VAL 12 CO 0.16 0.43 -0.24 -0.33 0.02 0.00 0.00 177.57 177.61 2jrx h GLU 13 N 0.81 0.00 -0.21 1.57 5.08 -1.06 -0.91 114.58 119.86 2jrx h GLU 13 Ca 0.13 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 2jrx h GLU 13 Cb 0.65 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2jrx h GLU 13 CO 0.05 0.24 -0.12 0.37 -1.00 0.00 0.00 179.01 178.54 2jrx h GLN 14 N 0.00 0.46 -0.43 2.33 4.15 -0.94 0.13 115.11 120.81 2jrx h GLN 14 Ca -0.00 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.20 2jrx h GLN 14 Cb 0.88 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.54 2jrx h GLN 14 CO 0.03 0.76 0.23 -0.07 -1.93 0.00 0.00 178.83 177.85 2jrx h LEU 15 N 0.15 0.53 -0.48 -2.39 3.38 -1.29 -2.24 115.31 112.98 2jrx h LEU 15 Ca 0.04 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2jrx h LEU 15 Cb 0.63 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 2jrx h LEU 15 CO 0.04 0.47 0.23 0.25 0.09 0.00 0.00 178.44 179.52 2jrx h LEU 16 N 0.56 0.32 -0.24 1.67 5.85 -1.06 -1.19 115.31 121.21 2jrx h LEU 16 Ca 0.15 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.92 2jrx h LEU 16 Cb 0.06 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2jrx h LEU 16 CO -0.02 0.23 0.10 0.00 -0.34 0.00 0.00 178.44 178.40 2jrx h ALA 17 N 1.27 0.28 -0.09 1.25 0.00 -0.48 -0.05 119.26 121.44 2jrx h ALA 17 Ca 0.21 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 2jrx h ALA 17 Cb 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2jrx h ALA 17 CO -0.16 -0.31 -0.49 0.93 0.00 0.00 0.00 179.25 179.22 2jrx h GLU 18 N 0.23 0.24 -0.28 0.00 5.08 -1.18 0.18 114.58 118.85 2jrx h GLU 18 Ca 0.10 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2jrx h GLU 18 Cb 0.05 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2jrx h GLU 18 CO -0.08 0.69 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.48 2jrx h LEU 19 N 0.19 0.53 -0.99 1.33 3.38 -0.87 0.36 115.31 119.23 2jrx h LEU 19 Ca 0.01 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 2jrx h LEU 19 Cb 0.94 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 2jrx h LEU 19 CO 0.08 0.76 0.33 -0.07 0.09 0.00 0.00 178.44 179.63 2jrx h LEU 20 N 0.29 0.95 -1.18 1.67 3.38 -0.85 -1.93 115.31 117.63 2jrx h LEU 20 Ca 0.07 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.97 2jrx h LEU 20 Cb 0.53 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 2jrx h LEU 20 CO 0.03 0.82 0.57 -1.13 0.09 0.00 0.00 178.44 178.81 2jrx h ASN 21 N 1.04 0.89 0.20 -0.43 -1.24 -0.30 0.27 115.58 116.01 2jrx h ASN 21 Ca 0.25 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.25 2jrx h ASN 21 Cb 0.14 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 2jrx h ASN 21 CO -0.03 0.60 -0.13 0.58 -1.29 0.00 0.00 177.43 177.15 2jrx h VAL 22 N 1.03 0.71 -0.16 2.57 2.07 -0.14 0.43 116.25 122.76 2jrx h VAL 22 Ca 0.36 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.80 2jrx h VAL 22 Cb 0.11 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2jrx h VAL 22 CO -0.12 0.00 -0.27 -0.07 0.02 0.00 0.00 177.57 177.13 2jrx h LEU 23 N -0.33 0.29 0.20 2.57 4.07 -1.16 -0.91 115.31 120.03 2jrx h LEU 23 Ca -0.02 -0.09 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 2jrx h LEU 23 Cb 0.28 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.95 2jrx h LEU 23 CO 0.01 0.56 -0.09 -0.08 -1.08 0.00 0.00 178.44 177.76 2jrx h GLU 24 N 0.26 -0.25 -0.44 1.13 4.57 -0.73 0.64 114.58 119.76 2jrx h GLU 24 Ca 0.04 0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.26 2jrx h GLU 24 Cb 0.61 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.23 2jrx h GLU 24 CO 0.04 0.15 0.24 -0.22 -1.18 0.00 0.00 179.01 178.04 2jrx h LYS 25 N -0.84 0.47 0.00 1.92 3.64 -0.08 -2.75 116.57 118.93 2jrx h LYS 25 Ca -0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2jrx h LYS 25 Cb 0.52 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2jrx h LYS 25 CO 0.04 0.31 -0.73 1.58 -2.27 0.00 0.00 179.45 178.38 2jrx n HIS 26 N -4.87 0.13 -2.70 1.91 -0.00 -0.35 -5.02 115.22 104.32 2jrx n HIS 26 Ca 0.02 0.04 -0.02 0.00 0.46 0.00 0.00 57.72 58.22 2jrx n HIS 26 Cb 0.09 -0.31 0.00 0.00 -0.12 0.00 0.00 29.99 29.65 2jrx n HIS 26 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2jrx n LYS 27 N -1.69 -3.08 -3.80 1.57 4.76 0.10 -5.01 118.16 111.00 2jrx n LYS 27 Ca 0.04 2.54 -0.37 0.00 -2.87 0.00 0.00 58.31 57.65 2jrx n LYS 27 Cb 0.37 -5.29 -0.13 0.00 -1.84 0.00 0.00 35.03 28.14 2jrx n LYS 27 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jrx s ALA 28 N -1.83 2.98 0.75 7.82 0.00 -0.48 -5.02 121.76 125.98 2jrx s ALA 28 Ca 0.06 -1.67 -0.15 0.00 0.00 0.00 0.00 51.96 50.21 2jrx s ALA 28 Cb -0.02 -2.14 0.05 0.00 0.00 0.00 0.00 23.12 21.01 2jrx s ALA 28 CO 0.75 -1.21 1.21 -1.25 0.00 0.00 0.00 175.76 175.26 2jrx s PRO 29 N 1.39 2.01 0.27 0.00 0.04 -1.26 -4.64 135.00 132.81 2jrx s PRO 29 Ca -0.01 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2jrx s PRO 29 Cb -0.19 -1.82 0.54 0.00 0.04 0.00 0.00 34.50 33.08 2jrx s PRO 29 CO 0.01 -1.94 1.81 1.15 0.04 0.00 0.00 177.00 178.08 2jrx h THR 30 N -0.45 0.86 0.28 1.26 2.02 -1.98 0.43 112.91 115.33 2jrx h THR 30 Ca -0.47 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 2jrx h THR 30 Cb 1.30 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2jrx h THR 30 CO 0.49 0.16 -0.14 -0.78 0.37 0.00 0.00 175.52 175.62 2jrx h ASP 31 N 0.87 -0.32 0.03 4.18 1.82 -2.01 -2.40 116.42 118.58 2jrx h ASP 31 Ca 0.48 -0.04 -0.09 0.00 -0.39 0.00 0.00 57.03 56.99 2jrx h ASP 31 Cb 0.55 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.63 2jrx h ASP 31 CO -0.29 -0.17 -0.27 0.25 -1.61 0.00 0.00 179.24 177.15 2jrx h LEU 32 N -0.46 0.39 -0.09 2.28 5.85 -1.72 -2.72 115.31 118.83 2jrx h LEU 32 Ca -0.04 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.58 2jrx h LEU 32 Cb 0.34 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2jrx h LEU 32 CO 0.06 0.66 -0.12 -1.28 -0.34 0.00 0.00 178.44 177.43 2jrx h SER 33 N 0.34 -0.36 -0.66 1.25 0.87 0.04 0.22 113.55 115.25 2jrx h SER 33 Ca 0.05 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 2jrx h SER 33 Cb 0.66 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.76 2jrx h SER 33 CO 0.05 -0.16 0.28 -0.07 -0.53 0.00 0.00 176.83 176.41 2jrx h LEU 34 N -0.15 0.91 0.05 2.23 3.38 -1.30 0.12 115.31 120.56 2jrx h LEU 34 Ca 0.07 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2jrx h LEU 34 Cb 0.26 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2jrx h LEU 34 CO -0.18 0.81 -0.03 -0.03 0.09 0.00 0.00 178.44 179.09 2jrx h MET 35 N 0.98 -0.07 -0.16 1.13 4.05 -1.08 -0.44 114.93 119.35 2jrx h MET 35 Ca 0.23 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.64 2jrx h MET 35 Cb 0.17 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 2jrx h MET 35 CO -0.02 0.03 0.02 0.28 0.23 0.00 0.00 176.91 177.45 2jrx h VAL 36 N -0.16 1.23 -0.56 -5.77 2.07 -0.25 -1.79 116.25 111.02 2jrx h VAL 36 Ca -0.01 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.80 2jrx h VAL 36 Cb 0.13 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 2jrx h VAL 36 CO 0.01 0.22 0.33 -0.07 0.02 0.00 0.00 177.57 178.09 2jrx h LEU 37 N 0.04 0.53 -0.46 2.57 3.38 -0.76 0.30 115.31 120.91 2jrx h LEU 37 Ca 0.05 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2jrx h LEU 37 Cb 0.32 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2jrx h LEU 37 CO 0.00 0.37 0.29 1.23 0.09 0.00 0.00 178.44 180.43 2jrx h GLY 38 N 0.66 0.65 1.58 0.83 0.00 -0.96 0.25 103.07 106.07 2jrx h GLY 38 Ca 0.23 -0.23 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 2jrx h GLY 38 CO -0.11 0.21 -0.27 -0.57 0.00 0.00 0.00 176.54 175.80 2jrx h ASN 39 N 0.59 0.50 -0.01 0.19 -0.73 -0.85 -1.95 115.58 113.32 2jrx h ASN 39 Ca 0.17 -0.17 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 2jrx h ASN 39 Cb -0.04 -0.14 -0.00 0.00 0.27 0.00 0.00 38.32 38.42 2jrx h ASN 39 CO -0.06 0.76 -0.01 -0.03 -0.37 0.00 0.00 177.43 177.72 2jrx h MET 40 N 0.43 0.03 -0.36 6.67 4.05 0.12 -2.41 114.93 123.47 2jrx h MET 40 Ca 0.06 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.44 2jrx h MET 40 Cb 0.70 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.48 2jrx h MET 40 CO 0.05 0.51 0.14 0.28 0.23 0.00 0.00 176.91 178.12 2jrx h VAL 41 N -0.45 1.19 -0.74 -5.77 2.07 -0.50 -1.96 116.25 110.09 2jrx h VAL 41 Ca 0.00 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2jrx h VAL 41 Cb 0.50 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 2jrx h VAL 41 CO 0.00 0.21 0.47 0.71 0.02 0.00 0.00 177.57 178.99 2jrx h THR 42 N 0.43 1.20 0.36 2.57 1.35 -1.42 -0.60 112.91 116.80 2jrx h THR 42 Ca 0.12 -0.39 -0.01 0.00 -0.55 0.00 0.00 66.41 65.57 2jrx h THR 42 Cb 0.19 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 66.73 2jrx h THR 42 CO -0.01 0.20 -0.23 -1.13 -0.25 0.00 0.00 175.52 174.10 2jrx h ASN 43 N 1.02 -0.57 -0.38 5.36 -0.73 -1.04 -1.73 115.58 117.49 2jrx h ASN 43 Ca 0.27 0.04 0.05 0.00 1.87 0.00 0.00 56.30 58.52 2jrx h ASN 43 Cb -0.09 0.17 -0.04 0.00 0.27 0.00 0.00 38.32 38.64 2jrx h ASN 43 CO -0.06 -0.36 0.13 0.25 -0.37 0.00 0.00 177.43 177.02 2jrx h LEU 44 N -0.57 0.13 -0.45 0.34 5.85 -0.79 -1.65 115.31 118.18 2jrx h LEU 44 Ca -0.04 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2jrx h LEU 44 Cb 0.47 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2jrx h LEU 44 CO 0.03 0.11 0.27 0.40 -0.34 0.00 0.00 178.44 178.91 2jrx h ILE 45 N 0.28 1.14 0.00 4.05 2.04 -1.04 0.10 117.51 124.09 2jrx h ILE 45 Ca 0.18 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.71 2jrx h ILE 45 Cb 0.16 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2jrx h ILE 45 CO -0.18 0.14 0.00 0.78 0.00 0.00 0.00 178.15 178.89 2jrx h ASN 46 N 0.60 0.00 0.01 1.72 2.35 -0.99 -2.25 115.58 117.01 2jrx h ASN 46 Ca 0.16 0.00 -0.42 0.00 -0.55 0.00 0.00 56.30 55.49 2jrx h ASN 46 Cb -0.00 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.30 2jrx h ASN 46 CO -0.03 0.00 -2.38 0.35 -1.65 0.00 0.00 177.43 173.72 2jrx n THR 47 N -2.48 1.53 -0.07 2.81 -2.24 -0.65 -4.74 114.28 108.44 2jrx n THR 47 Ca 0.04 -0.40 -0.16 0.00 -2.27 0.00 0.00 64.05 61.26 2jrx n THR 47 Cb 0.40 -1.79 -0.14 0.00 -2.10 0.00 0.00 70.33 66.71 2jrx n THR 47 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2jrx n SER 48 N -4.01 1.48 -4.76 3.42 3.41 -0.01 -4.94 113.62 108.22 2jrx n SER 48 Ca -0.50 0.06 -0.40 0.00 -0.26 0.00 0.00 58.87 57.77 2jrx n SER 48 Cb 0.90 -0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 64.58 2jrx n SER 48 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2jrx s ILE 49 N -2.53 4.24 0.11 -1.33 1.01 -0.85 -4.98 121.20 116.87 2jrx s ILE 49 Ca -0.23 1.94 -0.35 0.00 0.00 0.00 0.00 60.65 62.01 2jrx s ILE 49 Cb 0.08 -4.26 -0.15 0.00 0.01 0.00 0.00 42.46 38.15 2jrx s ILE 49 CO 0.72 0.49 1.54 0.00 0.00 0.00 0.00 174.94 177.69 2jrx n ALA 50 N 1.70 0.66 0.24 9.38 0.00 -1.26 -4.69 120.51 126.54 2jrx n ALA 50 Ca -0.03 0.45 0.13 0.00 0.00 0.00 0.00 53.44 53.99 2jrx n ALA 50 Cb 0.48 -2.28 0.77 0.00 0.00 0.00 0.00 19.45 18.41 2jrx n ALA 50 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2jrx h PRO 51 N 5.81 0.00 -0.32 0.00 0.13 -1.92 -1.79 132.00 133.91 2jrx h PRO 51 Ca -0.46 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.62 2jrx h PRO 51 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2jrx h PRO 51 CO 0.86 0.00 0.01 0.00 -0.23 0.00 0.00 178.00 178.65 2jrx h ALA 52 N 1.94 0.43 -0.35 -0.56 0.00 -2.01 -3.27 119.26 115.44 2jrx h ALA 52 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2jrx h ALA 52 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2jrx h ALA 52 CO -0.00 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.42 2jrx n GLN 53 N -4.56 2.96 -0.33 0.00 10.64 -1.00 -4.61 117.38 120.47 2jrx n GLN 53 Ca -0.02 -2.38 -0.04 0.00 -1.83 0.00 0.00 57.00 52.73 2jrx n GLN 53 Cb 0.25 -1.51 0.09 0.00 -0.86 0.00 0.00 30.24 28.22 2jrx n GLN 53 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.06 175.30 2jrx h ARG 54 N 2.15 1.22 0.04 2.61 0.11 -1.39 0.72 114.38 119.84 2jrx h ARG 54 Ca 0.00 -0.11 -0.25 0.00 0.10 0.00 0.00 59.98 59.72 2jrx h ARG 54 Cb 1.02 -0.25 0.01 0.00 1.11 0.00 0.00 29.97 31.85 2jrx h ARG 54 CO 0.09 0.85 -1.05 0.37 0.10 0.00 0.00 179.97 180.34 2jrx h GLN 55 N 1.23 0.41 -0.75 0.08 4.15 -1.83 -1.60 115.11 116.80 2jrx h GLN 55 Ca 0.32 -0.50 -0.06 0.00 0.77 0.00 0.00 58.65 59.19 2jrx h GLN 55 Cb -0.05 0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 2jrx h GLN 55 CO -0.06 1.16 0.24 0.00 -1.93 0.00 0.00 178.83 178.24 2jrx h ALA 56 N 0.65 1.00 -0.36 3.38 0.00 -1.77 0.23 119.26 122.39 2jrx h ALA 56 Ca -0.10 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 2jrx h ALA 56 Cb 1.71 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2jrx h ALA 56 CO 0.18 0.67 -0.33 0.82 0.00 0.00 0.00 179.25 180.60 2jrx h ILE 57 N 1.12 1.28 -0.81 0.00 2.04 -0.84 0.71 117.51 121.01 2jrx h ILE 57 Ca 0.24 -1.48 -0.03 0.00 1.00 0.00 0.00 64.86 64.59 2jrx h ILE 57 Cb 0.30 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 2jrx h ILE 57 CO -0.01 0.49 0.38 0.00 0.00 0.00 0.00 178.15 179.01 2jrx h ALA 58 N 0.95 1.15 -0.59 1.87 0.00 -0.84 0.17 119.26 121.97 2jrx h ALA 58 Ca 0.07 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2jrx h ALA 58 Cb 0.87 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2jrx h ALA 58 CO 0.08 0.64 -0.00 -0.97 0.00 0.00 0.00 179.25 179.00 2jrx h ASN 59 N 1.15 1.01 -0.26 0.00 -0.73 -0.28 -2.42 115.58 114.05 2jrx h ASN 59 Ca 0.28 -0.28 -0.06 0.00 1.87 0.00 0.00 56.30 58.11 2jrx h ASN 59 Cb 0.13 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.43 2jrx h ASN 59 CO -0.03 1.06 -0.01 0.28 -0.37 0.00 0.00 177.43 178.36 2jrx h SER 60 N 0.95 0.55 -0.77 1.15 0.02 -0.19 -1.83 113.55 113.44 2jrx h SER 60 Ca 0.17 -0.11 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2jrx h SER 60 Cb 0.55 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 2jrx h SER 60 CO 0.03 0.63 0.49 0.15 -1.14 0.00 0.00 176.83 176.99 2jrx h PHE 61 N 0.55 0.93 -0.47 3.45 3.57 -0.30 -1.63 116.94 123.04 2jrx h PHE 61 Ca 0.12 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 2jrx h PHE 61 Cb 0.37 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2jrx h PHE 61 CO 0.01 0.55 0.07 0.00 -2.23 0.00 0.00 178.31 176.71 2jrx h ALA 62 N 1.31 1.24 0.05 2.41 0.00 -0.90 0.11 119.26 123.49 2jrx h ALA 62 Ca 0.30 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2jrx h ALA 62 Cb -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2jrx h ALA 62 CO -0.10 0.52 -0.03 0.00 0.00 0.00 0.00 179.25 179.64 2jrx h ARG 63 N 0.70 -0.07 -0.22 0.00 3.08 -0.57 -0.74 114.38 116.56 2jrx h ARG 63 Ca 0.15 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.13 2jrx h ARG 63 Cb 0.33 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2jrx h ARG 63 CO 0.01 0.04 -0.20 0.00 -1.07 0.00 0.00 179.97 178.74 2jrx h ALA 64 N 0.78 1.25 0.36 0.04 0.00 -1.14 -1.96 119.26 118.59 2jrx h ALA 64 Ca -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2jrx h ALA 64 Cb 0.14 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2jrx h ALA 64 CO 0.01 0.49 -0.22 1.25 0.00 0.00 0.00 179.25 180.78 2jrx h LEU 65 N 0.36 -0.55 -0.62 0.00 5.85 -0.40 -0.66 115.31 119.29 2jrx h LEU 65 Ca 0.06 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2jrx h LEU 65 Cb 0.56 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 2jrx h LEU 65 CO 0.04 -0.35 0.27 1.56 -0.34 0.00 0.00 178.44 179.62 2jrx h GLN 66 N -0.56 0.92 -0.69 1.25 4.20 -1.04 -2.35 115.11 116.84 2jrx h GLN 66 Ca -0.04 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.49 2jrx h GLN 66 Cb 0.46 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 2jrx h GLN 66 CO 0.04 0.76 0.32 1.03 -0.67 0.00 0.00 178.83 180.31 2jrx h SER 67 N 0.87 0.88 0.31 1.46 0.87 -1.22 0.23 113.55 116.96 2jrx h SER 67 Ca 0.21 -0.10 -0.15 0.00 -1.23 0.00 0.00 61.79 60.53 2jrx h SER 67 Cb 0.17 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 2jrx h SER 67 CO -0.02 0.75 -0.59 0.28 -0.53 0.00 0.00 176.83 176.73 2jrx h SER 68 N 0.97 0.31 -0.02 6.23 0.02 -0.86 -3.18 113.55 117.02 2jrx h SER 68 Ca 0.24 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2jrx h SER 68 Cb 0.11 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2jrx h SER 68 CO -0.03 0.83 -0.07 0.40 -1.14 0.00 0.00 176.83 176.82 2jrx h ILE 69 N 0.21 1.47 -2.47 3.27 2.04 -0.88 -3.45 117.51 117.70 2jrx h ILE 69 Ca -0.00 -1.49 -0.08 0.00 1.00 0.00 0.00 64.86 64.29 2jrx h ILE 69 Cb 1.09 2.41 -0.26 0.00 -0.74 0.00 0.00 36.82 39.31 2jrx h ILE 69 CO 0.09 0.40 -0.32 0.21 0.00 0.00 0.00 178.15 178.54 2jrx s ASN 70 N -5.95 -0.42 -0.09 1.72 2.47 0.02 -5.11 114.94 107.58 2jrx s ASN 70 Ca -0.16 1.05 -0.20 0.00 0.42 0.00 0.00 52.86 53.97 2jrx s ASN 70 Cb 0.01 1.32 -0.04 0.00 -1.45 0.00 0.00 41.25 41.09 2jrx s ASN 70 CO 0.70 -0.22 0.54 -1.83 -3.72 0.00 0.00 177.10 172.57 2jrx s GLU 71 N 2.35 4.35 0.00 0.43 -1.05 -1.20 -4.23 118.70 119.35 2jrx s GLU 71 Ca -0.04 0.59 0.23 0.00 -0.15 0.00 0.00 54.97 55.60 2jrx s GLU 71 Cb -0.11 -3.42 0.20 0.00 -0.44 0.00 0.00 34.13 30.35 2jrx s GLU 71 CO -0.14 0.17 1.20 -0.40 0.95 0.00 0.00 175.26 177.04 2jrx n ASP 72 N 3.56 0.70 -4.64 0.83 5.75 -1.26 -4.96 116.55 116.53 2jrx n ASP 72 Ca -0.06 -0.55 -0.37 0.00 -0.01 0.00 0.00 54.79 53.80 2jrx n ASP 72 Cb 0.51 0.57 0.06 0.00 -1.03 0.00 0.00 41.12 41.23 2jrx n ASP 72 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 2jrx n LYS 73 N -1.51 0.91 -1.68 0.11 2.85 -1.26 -4.80 118.16 112.78 2jrx n LYS 73 Ca 0.05 0.36 -0.42 0.00 -1.05 0.00 0.00 58.31 57.25 2jrx n LYS 73 Cb 0.34 -2.24 -0.03 0.00 -0.65 0.00 0.00 35.03 32.44 2jrx n LYS 73 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2jrx s ALA 74 N -1.50 2.51 -0.12 0.58 0.00 -1.26 -4.76 121.76 117.22 2jrx s ALA 74 Ca 0.78 0.50 0.15 0.00 0.00 0.00 0.00 51.96 53.39 2jrx s ALA 74 Cb -0.40 -4.13 0.36 0.00 0.00 0.00 0.00 23.12 18.95 2jrx s ALA 74 CO 0.45 -3.14 1.17 -2.39 0.00 0.00 0.00 175.76 171.86 2jrx n HIS 75 N 12.34 0.00 0.06 0.00 1.44 -1.26 -4.76 115.22 123.04 2jrx n HIS 75 Ca 0.30 -0.98 -0.20 0.00 -2.01 0.00 0.00 57.72 54.83 2jrx n HIS 75 Cb 0.47 -0.18 -0.10 0.00 0.12 0.00 0.00 29.99 30.30 2jrx n HIS 75 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2jrx h LEU 76 N 0.73 0.83 0.00 2.39 3.38 -1.99 -3.48 115.31 117.17 2jrx h LEU 76 Ca -0.07 -0.70 -0.02 0.00 0.09 0.00 0.00 57.88 57.19 2jrx h LEU 76 Cb 1.30 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 2jrx h LEU 76 CO 0.03 1.50 0.03 -1.84 0.09 0.00 0.00 178.44 178.25 2jrx n GLU 77 N -3.81 0.21 -3.62 1.13 -0.00 -1.26 -5.12 120.64 108.17 2jrx n GLU 77 Ca -0.11 -0.50 -0.28 0.00 -0.00 0.00 0.00 57.16 56.27 2jrx n GLU 77 Cb 0.91 0.58 -0.11 0.00 -0.00 0.00 0.00 31.44 32.82 2jrx n GLU 77 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2jrx s HIS 78 N -6.72 2.20 0.04 -1.84 2.46 -1.26 -5.06 115.29 105.11 2jrx s HIS 78 Ca 0.04 -2.77 -0.24 0.00 0.47 0.00 0.00 55.06 52.56 2jrx s HIS 78 Cb -0.01 -1.72 -0.06 0.00 -0.13 0.00 0.00 32.58 30.67 2jrx s HIS 78 CO 0.03 -0.70 0.72 -3.38 -2.47 0.00 0.00 174.74 168.94 2jrx s HIS 79 N -0.60 3.74 -0.23 3.88 -3.43 -1.26 -5.04 115.29 112.34 2jrx s HIS 79 Ca 0.29 1.42 -0.24 0.00 -0.80 0.00 0.00 55.06 55.73 2jrx s HIS 79 Cb -0.00 -2.76 -0.01 0.00 -1.43 0.00 0.00 32.58 28.38 2jrx s HIS 79 CO -0.18 0.31 0.78 -1.58 -2.00 0.00 0.00 174.74 172.07 2jrx s HIS 80 N -0.18 3.32 0.15 0.38 2.46 -1.26 -4.94 115.29 115.22 2jrx s HIS 80 Ca 0.36 1.08 -0.12 0.00 0.47 0.00 0.00 55.06 56.85 2jrx s HIS 80 Cb -0.20 -2.99 0.01 0.00 -0.13 0.00 0.00 32.58 29.27 2jrx s HIS 80 CO 0.22 -0.35 1.58 1.25 -2.47 0.00 0.00 174.74 174.96 2jrx h HIS 81 N 7.67 0.98 -2.79 3.88 2.76 -2.06 -3.39 115.15 122.20 2jrx h HIS 81 Ca -0.25 -0.19 -0.54 0.00 -2.20 0.00 0.00 60.37 57.19 2jrx h HIS 81 Cb 1.11 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.81 2jrx h HIS 81 CO 0.75 0.94 0.94 -1.58 -1.30 0.00 0.00 177.93 177.67 2jrx s HIS 82 N -4.92 2.54 0.00 5.26 5.65 -1.26 -5.36 115.29 117.20 2jrx s HIS 82 Ca -0.12 0.57 0.00 0.00 0.25 0.00 0.00 55.06 55.76 2jrx s HIS 82 Cb 0.12 -3.78 0.00 0.00 -1.18 0.00 0.00 32.58 27.74 2jrx s HIS 82 CO 0.83 -3.04 0.39 1.58 -0.65 0.00 0.00 174.74 173.86