#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpo s PRO 2 N 0.00 2.65 0.03 1.43 0.04 -1.26 -4.72 135.00 133.16 2jpo s PRO 2 Ca 0.00 0.19 -0.13 0.00 0.04 0.00 0.00 61.00 61.11 2jpo s PRO 2 Cb 0.00 -4.66 -0.34 0.00 0.04 0.00 0.00 34.50 29.55 2jpo s PRO 2 CO 0.00 -2.94 0.97 0.93 0.04 0.00 0.00 177.00 176.00 2jpo h GLU 3 N 13.26 0.46 -6.72 4.56 3.07 -2.11 -3.48 114.58 123.63 2jpo h GLU 3 Ca -0.11 -0.79 -0.53 0.00 -0.50 0.00 0.00 59.36 57.42 2jpo h GLU 3 Cb 1.10 0.30 -0.27 0.00 -0.84 0.00 0.00 28.75 29.03 2jpo h GLU 3 CO 1.22 1.37 -0.77 0.44 -1.40 0.00 0.00 179.01 179.87 2jpo n ILE 4 N -3.66 -0.39 -2.02 3.13 -5.35 -1.26 -4.97 119.36 104.85 2jpo n ILE 4 Ca -0.17 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.06 2jpo n ILE 4 Cb 1.09 -0.92 0.17 0.00 -1.74 0.00 0.00 39.64 38.24 2jpo n ILE 4 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 2jpo n MET 5 N -3.98 -0.92 -3.44 6.28 2.81 -1.26 -4.74 117.12 111.87 2jpo n MET 5 Ca 0.09 -2.03 -0.17 0.00 -1.81 0.00 0.00 57.70 53.78 2jpo n MET 5 Cb 0.47 -1.10 0.00 0.00 -0.71 0.00 0.00 33.22 31.89 2jpo n MET 5 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2jpo n LYS 6 N -3.37 -0.72 -3.39 0.03 5.02 -1.26 -4.89 118.16 109.58 2jpo n LYS 6 Ca 0.15 0.14 -0.26 0.00 -2.02 0.00 0.00 58.31 56.32 2jpo n LYS 6 Cb 0.53 -0.96 -0.10 0.00 -0.02 0.00 0.00 35.03 34.49 2jpo n LYS 6 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2jpo n ASN 7 N -0.88 0.02 -0.52 4.39 0.23 -1.26 -4.98 115.26 112.26 2jpo n ASN 7 Ca -0.12 -2.53 -0.06 0.00 -0.53 0.00 0.00 54.58 51.34 2jpo n ASN 7 Cb 0.32 -0.59 -0.03 0.00 -2.08 0.00 0.00 39.78 37.41 2jpo n ASN 7 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2jpo n LEU 8 N 2.43 0.11 -0.06 -4.53 7.94 -1.26 -4.73 117.00 116.91 2jpo n LEU 8 Ca 0.27 0.15 -0.03 0.00 -1.11 0.00 0.00 56.01 55.30 2jpo n LEU 8 Cb 0.48 -2.26 -0.01 0.00 0.53 0.00 0.00 43.42 42.16 2jpo n LEU 8 CO 0.12 -0.86 -0.20 0.28 -1.11 0.00 0.00 177.39 175.63 2jpo h SER 9 N 0.00 0.00 -0.93 1.96 0.02 -1.94 -3.28 113.55 109.37 2jpo h SER 9 Ca -0.12 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 60.92 2jpo h SER 9 Cb 0.93 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.41 2jpo h SER 9 CO 0.18 0.59 0.60 0.78 -1.14 0.00 0.00 176.83 177.84 2jpo h ASN 10 N -0.89 0.88 0.34 3.07 2.35 -1.97 -1.99 115.58 117.36 2jpo h ASN 10 Ca 0.00 0.02 -0.33 0.00 -0.55 0.00 0.00 56.30 55.44 2jpo h ASN 10 Cb 0.29 -0.16 0.02 0.00 0.05 0.00 0.00 38.32 38.52 2jpo h ASN 10 CO 0.00 0.53 -1.52 0.78 -1.65 0.00 0.00 177.43 175.57 2jpo h ASN 11 N 0.98 0.65 -0.11 5.81 2.35 -1.82 0.15 115.58 123.60 2jpo h ASN 11 Ca 0.43 -0.79 0.04 0.00 -0.55 0.00 0.00 56.30 55.43 2jpo h ASN 11 Cb 0.34 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.45 2jpo h ASN 11 CO -0.18 1.63 -0.20 -0.26 -1.65 0.00 0.00 177.43 176.77 2jpo h PHE 12 N 0.11 -0.52 0.00 1.19 0.04 -1.54 -1.20 116.94 115.02 2jpo h PHE 12 Ca -0.26 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.50 2jpo h PHE 12 Cb 2.10 0.25 -0.01 0.00 2.20 0.00 0.00 35.95 40.49 2jpo h PHE 12 CO 0.10 -0.28 -0.17 0.78 -0.60 0.00 0.00 178.31 178.14 2jpo h GLY 13 N -0.26 0.00 0.72 -1.45 0.00 -1.35 0.27 103.07 100.99 2jpo h GLY 13 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 2jpo h GLY 13 CO -0.26 0.00 -0.21 0.50 0.00 0.00 0.00 176.54 176.57 2jpo h LYS 14 N 0.00 -0.56 -0.49 4.80 1.57 0.10 -0.69 116.57 121.30 2jpo h LYS 14 Ca -0.00 0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 2jpo h LYS 14 Cb 0.46 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 2jpo h LYS 14 CO 0.02 -0.25 0.06 0.00 -0.57 0.00 0.00 179.45 178.71 2jpo h ALA 15 N -0.47 1.18 -0.27 3.86 0.00 -0.98 -1.07 119.26 121.51 2jpo h ALA 15 Ca -0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jpo h ALA 15 Cb 0.56 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2jpo h ALA 15 CO 0.10 0.54 0.16 1.98 0.00 0.00 0.00 179.25 182.03 2jpo h MET 16 N 0.74 0.37 -0.71 0.00 1.85 -0.95 -1.32 114.93 114.91 2jpo h MET 16 Ca 0.15 -0.04 -0.04 0.00 -0.61 0.00 0.00 59.70 59.17 2jpo h MET 16 Cb 0.37 -0.08 -0.03 0.00 0.43 0.00 0.00 31.60 32.29 2jpo h MET 16 CO 0.01 0.30 0.30 0.22 -0.40 0.00 0.00 176.91 177.34 2jpo h ASP 17 N 0.34 0.95 -0.22 1.39 3.58 -0.39 0.27 116.42 122.35 2jpo h ASP 17 Ca 0.10 -0.13 -0.05 0.00 0.42 0.00 0.00 57.03 57.37 2jpo h ASP 17 Cb 0.03 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.82 2jpo h ASP 17 CO -0.02 0.83 0.00 1.56 -2.88 0.00 0.00 179.24 178.74 2jpo h GLN 18 N 1.02 0.50 -0.08 0.28 7.50 -1.04 0.82 115.11 124.11 2jpo h GLN 18 Ca 0.24 -0.10 -0.01 0.00 0.50 0.00 0.00 58.65 59.28 2jpo h GLN 18 Cb 0.17 -0.07 -0.00 0.00 0.05 0.00 0.00 27.48 27.62 2jpo h GLN 18 CO -0.02 0.52 -0.00 0.00 -1.50 0.00 0.00 178.83 177.82 2jpo n LYS 20 N -4.83 0.03 -0.01 0.00 4.81 0.80 -0.51 118.16 118.44 2jpo n LYS 20 Ca -0.07 0.29 -0.02 0.00 -0.87 0.00 0.00 58.31 57.64 2jpo n LYS 20 Cb 0.20 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 33.74 2jpo n LYS 20 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2jpo n ASP 21 N -1.32 0.87 0.24 3.14 -0.08 0.22 -3.15 116.55 116.47 2jpo n ASP 21 Ca 0.01 0.13 0.07 0.00 -1.51 0.00 0.00 54.79 53.50 2jpo n ASP 21 Cb 0.02 -0.41 0.58 0.00 2.34 0.00 0.00 41.12 43.65 2jpo n ASP 21 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2jpo h GLU 22 N -0.28 0.00 0.00 -0.67 5.08 -0.60 -2.12 114.58 115.99 2jpo h GLU 22 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jpo h GLU 22 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2jpo h GLU 22 CO 0.00 0.12 -0.79 1.28 -1.00 0.00 0.00 179.01 178.62 2jpo n LEU 23 N -4.30 0.51 -3.71 1.33 4.77 0.33 -5.03 117.00 110.91 2jpo n LEU 23 Ca -0.03 -0.41 -0.23 0.00 -0.03 0.00 0.00 56.01 55.31 2jpo n LEU 23 Cb 0.20 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2jpo n LEU 23 CO 0.35 0.13 -0.09 -0.24 -1.33 0.00 0.00 177.39 176.20 2jpo n SER 24 N -1.42 -2.00 -4.76 -1.43 2.88 -0.80 -4.96 113.62 101.12 2jpo n SER 24 Ca 0.02 -0.88 -0.40 0.00 -1.33 0.00 0.00 58.87 56.28 2jpo n SER 24 Cb 0.23 -3.85 -0.03 0.00 -0.75 0.00 0.00 64.21 59.80 2jpo n SER 24 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2jpo s LEU 25 N -6.61 4.43 0.65 2.46 1.43 -1.20 -4.96 118.68 114.87 2jpo s LEU 25 Ca 0.10 2.40 -0.13 0.00 -1.03 0.00 0.00 54.13 55.47 2jpo s LEU 25 Cb -0.03 -3.74 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 2jpo s LEU 25 CO 0.83 -0.38 1.06 -2.16 0.23 0.00 0.00 176.35 175.93 2jpo s PRO 26 N -1.77 3.07 0.45 1.29 0.04 -1.26 -4.80 135.00 132.03 2jpo s PRO 26 Ca 0.49 1.11 0.12 0.00 0.04 0.00 0.00 61.00 62.76 2jpo s PRO 26 Cb -0.34 -2.00 1.02 0.00 0.04 0.00 0.00 34.50 33.22 2jpo s PRO 26 CO 0.44 -1.00 2.06 0.22 0.04 0.00 0.00 177.00 178.75 2jpo h ASP 27 N -0.14 0.18 -0.16 6.66 3.58 -1.98 0.98 116.42 125.54 2jpo h ASP 27 Ca -0.45 -0.01 -0.12 0.00 0.42 0.00 0.00 57.03 56.87 2jpo h ASP 27 Cb 1.22 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.23 2jpo h ASP 27 CO 0.57 0.20 -0.36 0.77 -2.88 0.00 0.00 179.24 177.54 2jpo h SER 28 N 0.20 0.58 -0.02 2.28 4.64 -1.98 0.48 113.55 119.72 2jpo h SER 28 Ca 0.05 -0.57 -0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2jpo h SER 28 Cb 0.10 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2jpo h SER 28 CO -0.00 1.04 0.01 0.58 -0.87 0.00 0.00 176.83 177.59 2jpo h VAL 29 N 0.15 1.09 -0.70 0.95 2.07 -1.78 0.36 116.25 118.39 2jpo h VAL 29 Ca -0.00 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.26 2jpo h VAL 29 Cb 0.96 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 2jpo h VAL 29 CO 0.08 0.07 0.46 0.58 0.02 0.00 0.00 177.57 178.78 2jpo h VAL 30 N -0.07 1.18 -0.23 2.57 2.07 -0.63 0.34 116.25 121.48 2jpo h VAL 30 Ca 0.01 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 2jpo h VAL 30 Cb 0.11 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 2jpo h VAL 30 CO -0.00 0.17 0.03 0.00 0.02 0.00 0.00 177.57 177.79 2jpo h ALA 31 N 1.25 0.30 -0.88 1.67 0.00 -0.91 -2.75 119.26 117.95 2jpo h ALA 31 Ca 0.26 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.03 2jpo h ALA 31 Cb -0.11 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 2jpo h ALA 31 CO -0.05 -0.00 0.56 -0.44 0.00 0.00 0.00 179.25 179.31 2jpo h ASP 32 N 0.18 0.89 -0.14 0.00 3.32 -0.03 -2.28 116.42 118.35 2jpo h ASP 32 Ca 0.07 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 2jpo h ASP 32 Cb 0.35 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2jpo h ASP 32 CO 0.01 0.58 0.08 0.25 -1.72 0.00 0.00 179.24 178.44 2jpo h LEU 33 N 1.03 0.18 -1.98 1.55 7.12 -0.30 -1.15 115.31 121.76 2jpo h LEU 33 Ca 0.38 -0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.32 2jpo h LEU 33 Cb 0.13 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.22 2jpo h LEU 33 CO -0.16 0.19 0.02 1.88 -0.13 0.00 0.00 178.44 180.24 2jpo h TYR 34 N 0.14 0.03 -0.13 1.25 -1.99 -1.20 -1.50 116.97 113.57 2jpo h TYR 34 Ca 0.05 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.74 2jpo h TYR 34 Cb 0.06 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 2jpo h TYR 34 CO -0.05 0.02 -0.10 -0.91 -0.00 0.00 0.00 178.16 177.12 2jpo h ASN 35 N 0.03 0.18 0.38 3.88 2.35 -0.64 -3.06 115.58 118.69 2jpo h ASN 35 Ca 0.01 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2jpo h ASN 35 Cb 0.01 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 2jpo h ASN 35 CO -0.00 0.31 -0.22 0.15 -1.65 0.00 0.00 177.43 176.02 2jpo h PHE 36 N 0.19 -0.57 -0.17 1.19 3.04 -0.90 -0.80 116.94 118.92 2jpo h PHE 36 Ca 0.04 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 2jpo h PHE 36 Cb 0.31 0.20 -0.00 0.00 2.56 0.00 0.00 35.95 39.01 2jpo h PHE 36 CO 0.00 -0.34 0.00 0.91 -2.02 0.00 0.00 178.31 176.86 2jpo n TRP 37 N -5.35 0.61 0.00 0.41 7.02 -1.22 -3.40 117.44 115.50 2jpo n TRP 37 Ca -0.10 -0.22 0.00 0.00 -1.02 0.00 0.00 57.50 56.16 2jpo n TRP 37 Cb 0.26 -0.22 0.00 0.00 -2.42 0.00 0.00 31.31 28.92 2jpo n TRP 37 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 2jpo n LYS 38 N 0.18 0.00 0.00 -0.99 4.81 -0.72 -4.75 118.16 116.69 2jpo n LYS 38 Ca 0.08 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.63 2jpo n LYS 38 Cb 0.53 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.66 2jpo n LYS 38 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2jpo n ASP 39 N -0.80 0.83 0.00 3.14 2.03 -0.39 -4.93 116.55 116.44 2jpo n ASP 39 Ca 0.00 -0.68 0.00 0.00 0.52 0.00 0.00 54.79 54.63 2jpo n ASP 39 Cb 0.00 0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 2jpo n ASP 39 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2jpo n ASP 40 N -1.37 -0.64 -4.37 1.67 2.03 -1.22 -5.08 116.55 107.57 2jpo n ASP 40 Ca 0.05 0.00 -0.47 0.00 0.52 0.00 0.00 54.79 54.90 2jpo n ASP 40 Cb 0.34 -0.11 -0.03 0.00 -0.72 0.00 0.00 41.12 40.61 2jpo n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jpo n TYR 41 N -2.21 -0.75 -3.90 -0.67 4.19 -1.25 -4.98 117.16 107.59 2jpo n TYR 41 Ca 0.00 0.91 -0.36 0.00 3.31 0.00 0.00 57.90 61.76 2jpo n TYR 41 Cb 0.00 -1.92 -0.06 0.00 0.49 0.00 0.00 39.34 37.85 2jpo n TYR 41 CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 2jpo s VAL 42 N -1.10 5.46 0.69 2.97 -7.23 -1.26 -4.41 120.40 115.52 2jpo s VAL 42 Ca 0.63 0.13 -0.16 0.00 -1.81 0.00 0.00 61.98 60.77 2jpo s VAL 42 Cb -0.88 -3.41 0.02 0.00 0.56 0.00 0.00 36.38 32.67 2jpo s VAL 42 CO 0.57 0.57 1.19 -0.04 -0.31 0.00 0.00 175.10 177.08 2jpo s MET 43 N -1.19 2.41 0.00 4.82 1.00 -1.26 -4.97 119.30 120.11 2jpo s MET 43 Ca 0.17 1.72 0.00 0.00 0.00 0.00 0.00 55.69 57.58 2jpo s MET 43 Cb -0.12 -1.87 0.00 0.00 0.00 0.00 0.00 34.83 32.84 2jpo s MET 43 CO 0.07 -1.62 0.00 0.25 0.00 0.00 0.00 175.02 173.71 2jpo n THR 44 N -2.45 0.00 -3.06 2.05 -2.24 -1.26 -5.08 114.28 102.24 2jpo n THR 44 Ca 0.13 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.69 2jpo n THR 44 Cb 0.50 -0.06 0.01 0.00 -2.10 0.00 0.00 70.33 68.68 2jpo n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jpo s ASP 45 N -0.93 5.87 0.14 3.42 -1.08 -1.26 -5.03 116.67 117.80 2jpo s ASP 45 Ca 0.00 0.23 -0.07 0.00 -0.52 0.00 0.00 52.55 52.19 2jpo s ASP 45 Cb 0.00 -1.52 -0.04 0.00 -1.46 0.00 0.00 42.92 39.91 2jpo s ASP 45 CO 0.00 -0.65 1.39 0.08 0.52 0.00 0.00 175.17 176.50 2jpo h ARG 46 N 0.47 0.64 -0.47 4.34 0.11 -1.98 -3.36 114.38 114.13 2jpo h ARG 46 Ca -0.46 -0.49 0.12 0.00 0.10 0.00 0.00 59.98 59.24 2jpo h ARG 46 Cb 1.25 0.09 -0.02 0.00 1.11 0.00 0.00 29.97 32.40 2jpo h ARG 46 CO 0.57 1.11 0.33 -0.07 0.10 0.00 0.00 179.97 182.01 2jpo h LEU 47 N 0.45 0.10 -0.64 0.08 -0.00 -1.96 -0.50 115.31 112.85 2jpo h LEU 47 Ca -0.03 0.00 0.11 0.00 -0.00 0.00 0.00 57.88 57.97 2jpo h LEU 47 Cb 1.31 -0.02 -0.08 0.00 -0.00 0.00 0.00 40.66 41.87 2jpo h LEU 47 CO 0.14 0.06 0.20 0.00 -0.00 0.00 0.00 178.44 178.83 2jpo h ALA 48 N 1.77 0.81 0.01 1.53 0.00 -1.92 0.88 119.26 122.34 2jpo h ALA 48 Ca 0.22 0.11 -0.19 0.00 0.00 0.00 0.00 54.91 55.05 2jpo h ALA 48 Cb 0.73 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2jpo h ALA 48 CO -0.02 -0.25 -0.88 0.78 0.00 0.00 0.00 179.25 178.88 2jpo h GLY 49 N 0.34 0.16 1.27 0.00 0.00 -1.33 -2.37 103.07 101.15 2jpo h GLY 49 Ca 0.33 -0.30 -0.14 0.00 0.00 0.00 0.00 47.33 47.22 2jpo h GLY 49 CO -0.37 0.26 -0.36 0.00 0.00 0.00 0.00 176.54 176.07 2jpo h ALA 51 N 0.92 1.32 0.49 0.00 0.00 -0.79 -1.78 119.26 119.42 2jpo h ALA 51 Ca 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2jpo h ALA 51 Cb 0.91 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2jpo h ALA 51 CO 0.08 0.57 -0.45 0.82 0.00 0.00 0.00 179.25 180.28 2jpo h ILE 52 N 1.09 0.11 0.00 0.00 2.04 -1.11 -0.12 117.51 119.52 2jpo h ILE 52 Ca 0.28 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.12 2jpo h ILE 52 Cb -0.01 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.17 2jpo h ILE 52 CO -0.05 0.00 -0.10 -0.55 0.00 0.00 0.00 178.15 177.45 2jpo h ASN 53 N -0.94 0.00 -0.21 1.72 7.08 -1.20 -0.31 115.58 121.71 2jpo h ASN 53 Ca -0.05 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.12 2jpo h ASN 53 Cb 0.81 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.05 2jpo h ASN 53 CO -0.04 0.10 -0.05 0.00 -2.08 0.00 0.00 177.43 175.36 2jpo h LEU 55 N 0.13 0.42 -0.81 0.00 3.38 0.46 -2.64 115.31 116.24 2jpo h LEU 55 Ca 0.05 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jpo h LEU 55 Cb 0.50 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2jpo h LEU 55 CO 0.02 0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.91 2jpo h ALA 56 N 1.71 1.00 -0.51 1.53 0.00 -1.04 -0.44 119.26 121.51 2jpo h ALA 56 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2jpo h ALA 56 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jpo h ALA 56 CO -0.02 0.00 0.00 -2.37 0.00 0.00 0.00 179.25 176.86 2jpo n THR 57 N -2.57 0.99 -2.37 0.00 5.66 -1.01 -4.42 114.28 110.55 2jpo n THR 57 Ca 0.02 -0.99 -0.10 0.00 -3.05 0.00 0.00 64.05 59.93 2jpo n THR 57 Cb 0.30 0.51 0.05 0.00 -1.55 0.00 0.00 70.33 69.63 2jpo n THR 57 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2jpo n LYS 58 N 0.99 2.46 0.28 1.09 5.02 -0.19 -4.87 118.16 122.94 2jpo n LYS 58 Ca 0.17 -3.70 0.14 0.00 -2.02 0.00 0.00 58.31 52.90 2jpo n LYS 58 Cb 0.51 -1.81 0.85 0.00 -0.02 0.00 0.00 35.03 34.55 2jpo n LYS 58 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2jpo h LEU 59 N 2.21 0.00 0.00 -0.35 3.38 -1.74 0.69 115.31 119.50 2jpo h LEU 59 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jpo h LEU 59 Cb 1.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.16 2jpo h LEU 59 CO 0.42 0.00 -0.81 -0.78 0.09 0.00 0.00 178.44 177.36 2jpo h ASP 60 N 0.00 0.00 0.13 -0.43 3.58 -1.90 0.38 116.42 118.19 2jpo h ASP 60 Ca 0.01 -0.12 -0.19 0.00 0.42 0.00 0.00 57.03 57.15 2jpo h ASP 60 Cb 0.07 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.14 2jpo h ASP 60 CO -0.00 0.06 -0.88 0.58 -2.88 0.00 0.00 179.24 176.12 2jpo h VAL 61 N 0.00 1.45 -0.09 2.25 2.07 -1.65 -2.96 116.25 117.31 2jpo h VAL 61 Ca 0.00 -2.51 -0.20 0.00 0.82 0.00 0.00 66.70 64.82 2jpo h VAL 61 Cb 0.87 3.13 -0.00 0.00 -1.52 0.00 0.00 31.29 33.77 2jpo h VAL 61 CO 0.00 0.71 -0.75 1.62 0.02 0.00 0.00 177.57 179.16 2jpo h VAL 62 N -0.40 1.35 -2.14 2.57 3.04 -0.95 -3.40 116.25 116.33 2jpo h VAL 62 Ca -0.16 -2.11 -0.57 0.00 -1.01 0.00 0.00 66.70 62.84 2jpo h VAL 62 Cb 1.63 2.09 -0.39 0.00 -2.01 0.00 0.00 31.29 32.62 2jpo h VAL 62 CO 0.13 0.64 -1.05 -0.67 -1.01 0.00 0.00 177.57 175.61 2jpo n ASP 63 N -3.86 -0.01 0.00 3.17 2.03 0.12 -3.56 116.55 114.45 2jpo n ASP 63 Ca -0.05 -2.59 0.06 0.00 0.52 0.00 0.00 54.79 52.73 2jpo n ASP 63 Cb 0.72 -0.61 0.31 0.00 -0.72 0.00 0.00 41.12 40.82 2jpo n ASP 63 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2jpo n PRO 64 N 1.92 0.17 -0.04 -0.67 -0.04 -1.12 -1.79 135.00 133.43 2jpo n PRO 64 Ca 0.24 0.17 0.03 0.00 -0.04 0.00 0.00 63.50 63.90 2jpo n PRO 64 Cb 0.51 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.84 2jpo n PRO 64 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2jpo h ASP 65 N 0.00 0.55 -0.15 3.54 5.19 -1.92 -3.47 116.42 120.16 2jpo h ASP 65 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2jpo h ASP 65 Cb 0.12 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.49 2jpo h ASP 65 CO 0.00 0.43 0.00 0.61 -3.12 0.00 0.00 179.24 177.16 2jpo n GLY 66 N -1.38 1.00 0.12 2.75 0.00 -0.74 -5.00 105.19 101.94 2jpo n GLY 66 Ca 0.04 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 2jpo n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jpo n ASN 67 N 1.14 1.97 -4.72 1.61 5.03 -1.26 -4.89 115.26 114.14 2jpo n ASN 67 Ca 0.00 0.29 -0.42 0.00 0.87 0.00 0.00 54.58 55.32 2jpo n ASN 67 Cb 0.30 -0.87 -0.03 0.00 -1.02 0.00 0.00 39.78 38.16 2jpo n ASN 67 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2jpo s LEU 68 N -7.44 4.37 0.22 3.41 0.20 -1.26 -3.05 118.68 115.14 2jpo s LEU 68 Ca -0.28 2.31 -0.00 0.00 0.69 0.00 0.00 54.13 56.85 2jpo s LEU 68 Cb 0.08 -3.59 -0.04 0.00 -0.43 0.00 0.00 46.19 42.21 2jpo s LEU 68 CO 0.64 -0.63 0.13 -1.00 -0.29 0.00 0.00 176.35 175.20 2jpo s HIS 69 N 1.02 1.27 0.55 5.38 3.76 -0.64 -4.90 115.29 121.75 2jpo s HIS 69 Ca 0.64 -1.36 -0.21 0.00 -0.15 0.00 0.00 55.06 53.98 2jpo s HIS 69 Cb -0.36 -0.64 -0.04 0.00 1.11 0.00 0.00 32.58 32.65 2jpo s HIS 69 CO 0.31 -0.60 1.30 -3.38 -0.85 0.00 0.00 174.74 171.52 2jpo s HIS 70 N -4.03 2.36 -1.25 1.40 -3.43 -1.26 -1.54 115.29 107.54 2jpo s HIS 70 Ca 0.39 1.43 -0.16 0.00 -0.80 0.00 0.00 55.06 55.92 2jpo s HIS 70 Cb 0.07 -3.67 0.16 0.00 -1.43 0.00 0.00 32.58 27.70 2jpo s HIS 70 CO 0.13 -2.59 0.40 0.41 -2.00 0.00 0.00 174.74 171.09 2jpo n GLY 71 N 0.68 -0.42 2.64 -1.38 0.00 0.64 -4.87 105.19 102.47 2jpo n GLY 71 Ca 0.11 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 2jpo n GLY 71 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jpo n ASN 72 N -2.08 -2.39 0.00 1.61 2.85 -0.59 -4.83 115.26 109.84 2jpo n ASN 72 Ca 0.08 -3.04 0.11 0.00 -0.11 0.00 0.00 54.58 51.62 2jpo n ASN 72 Cb 0.45 1.25 0.66 0.00 1.24 0.00 0.00 39.78 43.38 2jpo n ASN 72 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jpo n ALA 73 N 2.04 2.47 0.11 5.20 0.00 -1.26 -1.61 120.51 127.46 2jpo n ALA 73 Ca 0.15 -0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.40 2jpo n ALA 73 Cb 0.58 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 2jpo n ALA 73 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2jpo h LYS 74 N 0.00 -0.30 -0.11 0.00 1.57 -1.88 0.98 116.57 116.82 2jpo h LYS 74 Ca 0.00 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2jpo h LYS 74 Cb 0.00 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2jpo h LYS 74 CO 0.00 -0.20 0.06 -0.44 -0.57 0.00 0.00 179.45 178.30 2jpo h ASP 75 N -0.51 0.13 0.68 0.86 3.32 -1.78 0.32 116.42 119.45 2jpo h ASP 75 Ca -0.03 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 2jpo h ASP 75 Cb 0.24 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 2jpo h ASP 75 CO 0.05 0.10 -0.40 0.15 -1.72 0.00 0.00 179.24 177.43 2jpo h PHE 76 N 0.15 -1.07 -0.06 4.55 3.57 -1.55 -3.11 116.94 119.42 2jpo h PHE 76 Ca 0.04 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2jpo h PHE 76 Cb 0.00 0.37 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 2jpo h PHE 76 CO 0.00 -0.61 -0.02 0.00 -2.23 0.00 0.00 178.31 175.45 2jpo h ALA 77 N -1.35 1.86 0.00 2.41 0.00 0.71 -1.10 119.26 121.79 2jpo h ALA 77 Ca -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2jpo h ALA 77 Cb 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2jpo h ALA 77 CO 0.11 0.11 0.00 0.52 0.00 0.00 0.00 179.25 179.99 2jpo h MET 78 N 0.08 0.00 -0.05 0.00 2.86 -0.37 -0.56 114.93 116.89 2jpo h MET 78 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2jpo h MET 78 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2jpo h MET 78 CO 0.00 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.60 2jpo n LYS 79 N -2.55 2.96 0.00 1.72 4.76 -0.44 -4.64 118.16 119.98 2jpo n LYS 79 Ca -0.02 -1.57 0.00 0.00 -2.87 0.00 0.00 58.31 53.85 2jpo n LYS 79 Cb 0.06 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.21 2jpo n LYS 79 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2jpo n HIS 80 N -0.35 0.00 0.00 2.13 8.25 -0.35 -5.04 115.22 119.86 2jpo n HIS 80 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2jpo n HIS 80 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 2jpo n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jpo n GLY 81 N 0.07 0.69 3.16 -1.41 0.00 -0.44 -4.94 105.19 102.32 2jpo n GLY 81 Ca 0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 2jpo n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jpo s ALA 82 N -0.21 0.90 0.29 4.61 0.00 -0.70 -5.00 121.76 121.65 2jpo s ALA 82 Ca 0.00 -1.48 0.03 0.00 0.00 0.00 0.00 51.96 50.51 2jpo s ALA 82 Cb 0.00 0.85 -0.06 0.00 0.00 0.00 0.00 23.12 23.91 2jpo s ALA 82 CO 0.00 -0.48 0.07 -0.51 0.00 0.00 0.00 175.76 174.84 2jpo s ASP 83 N -3.06 1.80 0.43 0.00 1.01 -1.26 -4.46 116.67 111.13 2jpo s ASP 83 Ca 0.24 -1.37 0.17 0.00 0.71 0.00 0.00 52.55 52.30 2jpo s ASP 83 Cb 0.07 0.03 1.09 0.00 1.01 0.00 0.00 42.92 45.13 2jpo s ASP 83 CO 0.02 -0.66 1.91 -0.33 0.21 0.00 0.00 175.17 176.32 2jpo h GLU 84 N 2.26 0.37 0.89 8.23 5.08 -1.99 0.26 114.58 129.67 2jpo h GLU 84 Ca -0.39 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 57.90 2jpo h GLU 84 Cb 1.24 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.42 2jpo h GLU 84 CO 0.65 0.24 -0.45 1.15 -1.00 0.00 0.00 179.01 179.61 2jpo h THR 85 N 0.38 0.08 -0.72 1.13 2.02 -1.98 0.10 112.91 113.93 2jpo h THR 85 Ca 0.38 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.51 2jpo h THR 85 Cb 0.94 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 2jpo h THR 85 CO -0.12 0.00 0.24 0.24 0.37 0.00 0.00 175.52 176.25 2jpo h MET 86 N -1.23 1.10 -0.49 6.66 2.86 -1.11 0.25 114.93 122.98 2jpo h MET 86 Ca -0.12 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.28 2jpo h MET 86 Cb 0.95 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 2jpo h MET 86 CO 0.19 0.93 0.22 0.00 1.06 0.00 0.00 176.91 179.30 2jpo h ALA 87 N 1.20 0.63 -0.31 6.32 0.00 -0.63 -1.06 119.26 125.40 2jpo h ALA 87 Ca 0.24 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 2jpo h ALA 87 Cb 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2jpo h ALA 87 CO -0.01 0.22 -0.38 0.37 0.00 0.00 0.00 179.25 179.44 2jpo h GLN 88 N 0.65 0.74 0.41 0.00 5.75 -0.43 -2.87 115.11 119.36 2jpo h GLN 88 Ca 0.17 -0.38 -0.01 0.00 -0.15 0.00 0.00 58.65 58.28 2jpo h GLN 88 Cb 0.15 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 2jpo h GLN 88 CO -0.02 1.00 -0.32 1.96 -2.65 0.00 0.00 178.83 178.80 2jpo h GLN 89 N 0.61 -0.69 -0.63 1.69 1.08 -0.16 -1.69 115.11 115.33 2jpo h GLN 89 Ca 0.05 0.05 0.12 0.00 -1.45 0.00 0.00 58.65 57.42 2jpo h GLN 89 Cb 0.93 0.16 -0.09 0.00 -0.05 0.00 0.00 27.48 28.42 2jpo h GLN 89 CO 0.08 -0.46 0.14 -0.07 -0.95 0.00 0.00 178.83 177.57 2jpo h LEU 90 N -0.72 0.00 -1.57 1.46 4.07 -1.25 0.11 115.31 117.41 2jpo h LEU 90 Ca -0.04 0.12 -0.00 0.00 0.08 0.00 0.00 57.88 58.04 2jpo h LEU 90 Cb 0.62 0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.51 2jpo h LEU 90 CO -0.01 0.00 0.20 0.58 -1.08 0.00 0.00 178.44 178.14 2jpo h VAL 91 N 0.26 1.11 0.00 1.22 2.07 -1.27 -0.78 116.25 118.86 2jpo h VAL 91 Ca 0.33 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 2jpo h VAL 91 Cb 0.51 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2jpo h VAL 91 CO -0.43 0.12 -0.08 -0.78 0.02 0.00 0.00 177.57 176.42 2jpo h ASP 92 N 0.50 0.00 0.00 0.57 3.58 0.15 0.14 116.42 121.36 2jpo h ASP 92 Ca 0.13 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 2jpo h ASP 92 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2jpo h ASP 92 CO -0.02 0.08 -0.00 0.40 -2.88 0.00 0.00 179.24 176.82 2jpo h ILE 93 N 0.00 1.55 -0.07 2.25 1.08 -0.38 -1.15 117.51 120.78 2jpo h ILE 93 Ca -0.00 -1.67 -0.17 0.00 -0.39 0.00 0.00 64.86 62.62 2jpo h ILE 93 Cb 0.59 2.69 0.01 0.00 -3.07 0.00 0.00 36.82 37.04 2jpo h ILE 93 CO 0.01 0.43 -0.63 -0.29 -0.69 0.00 0.00 178.15 176.99 2jpo h ILE 94 N -0.72 1.36 -0.36 -0.67 6.09 -1.31 -2.82 117.51 119.08 2jpo h ILE 94 Ca -0.00 -1.95 0.01 0.00 -1.37 0.00 0.00 64.86 61.55 2jpo h ILE 94 Cb 0.71 2.28 -0.02 0.00 0.47 0.00 0.00 36.82 40.26 2jpo h ILE 94 CO 0.00 0.59 0.24 0.45 -3.07 0.00 0.00 178.15 176.36 2jpo h HIS 95 N 0.16 0.43 -0.06 2.19 3.86 -0.86 0.29 115.15 121.15 2jpo h HIS 95 Ca -0.06 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.12 2jpo h HIS 95 Cb 1.29 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.60 2jpo h HIS 95 CO 0.12 0.26 -0.18 0.78 0.86 0.00 0.00 177.93 179.77 2jpo h GLY 96 N 0.46 0.11 0.01 2.45 0.00 -0.95 -2.89 103.07 102.25 2jpo h GLY 96 Ca 0.14 -0.06 -0.37 0.00 0.00 0.00 0.00 47.33 47.03 2jpo h GLY 96 CO -0.03 0.06 -2.39 0.00 0.00 0.00 0.00 176.54 174.18 2jpo h GLU 98 N 0.00 1.16 -0.30 0.00 4.11 -0.37 0.28 114.58 119.46 2jpo h GLU 98 Ca -0.55 -0.10 -0.16 0.00 0.07 0.00 0.00 59.36 58.62 2jpo h GLU 98 Cb 2.23 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 31.23 2jpo h GLU 98 CO 0.02 0.81 -0.42 0.87 0.07 0.00 0.00 179.01 180.36 2jpo h LYS 99 N 1.17 0.82 -0.63 1.06 1.57 -1.73 -3.22 116.57 115.61 2jpo h LYS 99 Ca 0.31 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2jpo h LYS 99 Cb -0.06 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2jpo h LYS 99 CO -0.06 1.11 0.00 0.43 -0.57 0.00 0.00 179.45 180.36 2jpo n SER 100 N -4.12 3.62 -4.75 0.86 7.64 -0.71 -4.95 113.62 111.22 2jpo n SER 100 Ca -0.04 -2.37 -0.37 0.00 1.01 0.00 0.00 58.87 57.09 2jpo n SER 100 Cb 0.56 -0.51 0.04 0.00 -1.01 0.00 0.00 64.21 63.29 2jpo n SER 100 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jpo s ALA 101 N -1.84 2.67 0.90 -0.43 0.00 0.92 -4.99 121.76 118.99 2jpo s ALA 101 Ca 0.36 1.16 -0.12 0.00 0.00 0.00 0.00 51.96 53.36 2jpo s ALA 101 Cb 0.24 -3.50 0.13 0.00 0.00 0.00 0.00 23.12 19.99 2jpo s ALA 101 CO 0.16 -1.25 1.09 -1.25 0.00 0.00 0.00 175.76 174.51 2jpo s PRO 102 N -3.10 1.19 -1.14 0.00 0.04 -1.26 -4.90 135.00 125.82 2jpo s PRO 102 Ca 0.74 0.80 -0.21 0.00 0.04 0.00 0.00 61.00 62.37 2jpo s PRO 102 Cb -0.35 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.41 2jpo s PRO 102 CO 0.40 -2.28 1.72 -1.25 0.04 0.00 0.00 177.00 175.62 2jpo s PRO 103 N -4.93 3.40 -0.45 0.56 0.04 -1.26 -4.59 135.00 127.77 2jpo s PRO 103 Ca 0.64 -1.36 0.07 0.00 0.04 0.00 0.00 61.00 60.38 2jpo s PRO 103 Cb -0.18 -5.37 0.23 0.00 0.04 0.00 0.00 34.50 29.22 2jpo s PRO 103 CO 0.57 -2.72 0.70 -1.71 0.04 0.00 0.00 177.00 173.88 2jpo n ASN 104 N 10.41 -1.71 -4.58 6.66 5.15 -1.26 -5.10 115.26 124.83 2jpo n ASN 104 Ca 0.42 -2.97 -0.45 0.00 -0.60 0.00 0.00 54.58 50.98 2jpo n ASN 104 Cb 0.48 0.77 -0.04 0.00 -0.53 0.00 0.00 39.78 40.46 2jpo n ASN 104 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2jpo n ASP 105 N 1.82 3.12 -3.69 1.20 2.03 -1.26 -3.96 116.55 115.81 2jpo n ASP 105 Ca 0.16 0.34 -0.13 0.00 0.52 0.00 0.00 54.79 55.68 2jpo n ASP 105 Cb 0.57 -1.49 -0.09 0.00 -0.72 0.00 0.00 41.12 39.40 2jpo n ASP 105 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jpo s ASP 106 N 7.60 -0.56 0.23 1.67 -1.08 -1.26 -4.97 116.67 118.30 2jpo s ASP 106 Ca 1.01 1.08 -0.01 0.00 -0.52 0.00 0.00 52.55 54.10 2jpo s ASP 106 Cb -0.46 1.09 0.25 0.00 -1.46 0.00 0.00 42.92 42.33 2jpo s ASP 106 CO 0.39 -0.19 1.63 0.07 0.52 0.00 0.00 175.17 177.59 2jpo h LYS 107 N 5.34 0.59 0.00 4.34 2.10 -1.98 -2.98 116.57 123.98 2jpo h LYS 107 Ca -0.28 -0.27 0.00 0.00 -2.00 0.00 0.00 60.65 58.10 2jpo h LYS 107 Cb 1.17 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2jpo h LYS 107 CO 0.17 0.85 -0.21 0.00 -2.00 0.00 0.00 179.45 178.26 2jpo h MET 109 N -0.97 0.70 -0.69 0.00 2.86 -1.85 -1.64 114.93 113.34 2jpo h MET 109 Ca 0.00 -0.73 0.00 0.00 -2.06 0.00 0.00 59.70 56.92 2jpo h MET 109 Cb 0.21 0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 2jpo h MET 109 CO 0.00 1.31 0.45 -0.22 1.06 0.00 0.00 176.91 179.51 2jpo h LYS 110 N 0.38 0.91 -0.24 1.72 3.64 -1.65 -0.46 116.57 120.88 2jpo h LYS 110 Ca -0.12 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 2jpo h LYS 110 Cb 1.63 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.24 2jpo h LYS 110 CO 0.19 0.62 0.06 1.15 -2.27 0.00 0.00 179.45 179.20 2jpo h THR 111 N 0.94 1.12 -0.23 1.00 2.02 -1.66 -1.93 112.91 114.16 2jpo h THR 111 Ca 0.25 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 2jpo h THR 111 Cb -0.09 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2jpo h THR 111 CO -0.05 0.14 -0.03 0.40 0.37 0.00 0.00 175.52 176.35 2jpo h ILE 112 N 0.34 1.27 0.04 3.11 2.04 -0.15 0.17 117.51 124.33 2jpo h ILE 112 Ca 0.08 -0.98 0.03 0.00 1.00 0.00 0.00 64.86 64.99 2jpo h ILE 112 Cb 0.13 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 2jpo h ILE 112 CO -0.00 0.30 -0.39 0.44 0.00 0.00 0.00 178.15 178.50 2jpo h ASP 113 N 0.19 -1.16 -0.17 1.72 3.32 -0.89 0.14 116.42 119.56 2jpo h ASP 113 Ca 0.06 0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 2jpo h ASP 113 Cb 0.47 0.45 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 2jpo h ASP 113 CO 0.02 -0.45 -0.10 0.58 -1.72 0.00 0.00 179.24 177.57 2jpo h VAL 114 N -0.57 1.23 0.17 -1.35 2.07 -1.33 0.43 116.25 116.89 2jpo h VAL 114 Ca 0.04 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 2jpo h VAL 114 Cb 0.63 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2jpo h VAL 114 CO -0.27 0.33 -0.08 0.00 0.02 0.00 0.00 177.57 177.56 2jpo h ALA 115 N 1.40 -0.23 0.00 1.67 0.00 -0.32 -2.12 119.26 119.66 2jpo h ALA 115 Ca 0.09 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2jpo h ALA 115 Cb 0.48 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2jpo h ALA 115 CO 0.03 -0.42 -0.38 0.00 0.00 0.00 0.00 179.25 178.47 2jpo h MET 116 N -0.64 0.00 -0.99 0.00 -0.00 -0.57 -0.76 114.93 111.97 2jpo h MET 116 Ca -0.02 0.00 0.11 0.00 -0.00 0.00 0.00 59.70 59.78 2jpo h MET 116 Cb 0.47 0.00 -0.08 0.00 -0.00 0.00 0.00 31.60 31.99 2jpo h MET 116 CO 0.04 0.38 0.62 0.00 -0.00 0.00 0.00 176.91 177.95 2jpo h PHE 118 N 1.01 -0.92 0.00 0.00 3.04 -0.42 0.42 116.94 120.07 2jpo h PHE 118 Ca 0.47 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.40 2jpo h PHE 118 Cb 0.40 0.35 -0.00 0.00 2.56 0.00 0.00 35.95 39.26 2jpo h PHE 118 CO -0.01 -0.48 -0.10 1.57 -2.02 0.00 0.00 178.31 177.28 2jpo h LYS 119 N -0.75 0.00 -0.06 1.11 2.10 -1.51 0.11 116.57 117.58 2jpo h LYS 119 Ca -0.06 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.61 2jpo h LYS 119 Cb 0.62 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.93 2jpo h LYS 119 CO 0.01 0.10 -0.07 -0.22 -2.00 0.00 0.00 179.45 177.27 2jpo h LYS 120 N 0.00 -0.08 0.00 0.07 3.11 -0.70 -3.12 116.57 115.84 2jpo h LYS 120 Ca -0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2jpo h LYS 120 Cb 0.26 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 2jpo h LYS 120 CO 0.01 -0.06 -0.34 0.39 -2.81 0.00 0.00 179.45 176.65 2jpo n GLU 121 N -5.19 0.08 -0.25 1.90 1.02 0.10 -2.70 120.64 115.60 2jpo n GLU 121 Ca -0.05 0.04 0.03 0.00 -0.02 0.00 0.00 57.16 57.15 2jpo n GLU 121 Cb 0.12 -1.56 0.26 0.00 -0.02 0.00 0.00 31.44 30.23 2jpo n GLU 121 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2jpo h ILE 122 N 0.00 1.13 -0.07 -3.67 2.04 -0.79 -2.89 117.51 113.26 2jpo h ILE 122 Ca 0.00 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.54 2jpo h ILE 122 Cb 0.57 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2jpo h ILE 122 CO 0.00 0.18 0.07 0.45 0.00 0.00 0.00 178.15 178.85 2jpo h HIS 123 N 0.99 0.00 0.00 1.37 3.86 -1.57 -0.64 115.15 119.17 2jpo h HIS 123 Ca 0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 2jpo h HIS 123 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 2jpo h HIS 123 CO -0.00 0.00 -0.45 0.36 0.86 0.00 0.00 177.93 178.70 2jpo n LYS 124 N -4.08 0.00 0.17 2.45 -0.00 -1.09 -3.87 118.16 111.75 2jpo n LYS 124 Ca -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.33 2jpo n LYS 124 Cb 0.17 -1.50 0.30 0.00 -0.00 0.00 0.00 35.03 34.00 2jpo n LYS 124 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2jpo h LEU 125 N 0.00 0.00 0.04 -5.58 3.38 -1.15 -3.47 115.31 108.53 2jpo h LEU 125 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2jpo h LEU 125 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2jpo h LEU 125 CO 0.00 0.45 -0.02 0.59 0.09 0.00 0.00 178.44 179.55 2jpo n ASN 126 N -3.78 -4.31 -4.48 -0.43 5.03 -1.25 -4.97 115.26 101.06 2jpo n ASN 126 Ca -0.01 0.02 -0.23 0.00 0.87 0.00 0.00 54.58 55.23 2jpo n ASN 126 Cb 0.51 -1.89 -0.11 0.00 -1.02 0.00 0.00 39.78 37.27 2jpo n ASN 126 CO 0.00 0.00 0.00 -1.66 -1.83 0.00 0.00 177.26 173.77 2jpo s TRP 127 N -1.63 2.08 -0.23 3.10 1.48 -1.26 -5.15 118.94 117.33 2jpo s TRP 127 Ca 0.00 -0.87 -0.03 0.00 -1.06 0.00 0.00 56.10 54.14 2jpo s TRP 127 Cb 0.00 -1.37 0.01 0.00 -1.16 0.00 0.00 33.47 30.94 2jpo s TRP 127 CO 0.00 0.13 -0.05 0.08 -4.06 0.00 0.00 176.95 173.04 2jpo s VAL 128 N -3.15 3.15 0.65 -0.66 1.01 -1.26 -4.85 120.40 115.29 2jpo s VAL 128 Ca 0.36 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 2jpo s VAL 128 Cb 0.09 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.96 2jpo s VAL 128 CO 0.16 0.33 1.17 -2.16 0.00 0.00 0.00 175.10 174.60 2jpo s PRO 129 N 1.42 2.70 0.57 2.72 0.04 -1.26 -5.00 135.00 136.19 2jpo s PRO 129 Ca 0.04 1.66 -0.18 0.00 0.04 0.00 0.00 61.00 62.55 2jpo s PRO 129 Cb -0.15 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 2jpo s PRO 129 CO -0.04 -1.38 0.70 0.09 0.04 0.00 0.00 177.00 176.41 2jpo n ASN 130 N -2.15 -0.31 0.13 6.66 3.02 -1.26 -4.84 115.26 116.51 2jpo n ASN 130 Ca 0.12 0.78 0.18 0.00 -0.03 0.00 0.00 54.58 55.63 2jpo n ASN 130 Cb 0.51 -1.25 0.76 0.00 -0.61 0.00 0.00 39.78 39.18 2jpo n ASN 130 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jpo h MET 131 N 0.38 0.00 0.33 3.52 -0.00 -1.94 -1.61 114.93 115.60 2jpo h MET 131 Ca -0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.22 2jpo h MET 131 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.99 2jpo h MET 131 CO 0.49 0.00 -0.16 -0.44 -0.00 0.00 0.00 176.91 176.80 2jpo h ASP 132 N 0.00 -0.37 -0.69 -0.10 3.32 -1.94 -3.02 116.42 113.63 2jpo h ASP 132 Ca 0.15 -0.14 0.15 0.00 0.02 0.00 0.00 57.03 57.21 2jpo h ASP 132 Cb 0.71 0.10 -0.11 0.00 0.22 0.00 0.00 39.33 40.24 2jpo h ASP 132 CO -0.00 -0.06 0.05 -0.07 -1.72 0.00 0.00 179.24 177.44 2jpo h LEU 133 N -0.70 -0.21 -0.36 1.55 4.07 -1.65 0.21 115.31 118.22 2jpo h LEU 133 Ca -0.04 0.16 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 2jpo h LEU 133 Cb 0.48 0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.48 2jpo h LEU 133 CO 0.07 -0.11 0.20 0.58 -1.08 0.00 0.00 178.44 178.10 2jpo h VAL 134 N 0.16 1.14 0.11 1.22 2.07 -1.45 -1.66 116.25 117.83 2jpo h VAL 134 Ca 0.38 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2jpo h VAL 134 Cb 0.64 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2jpo h VAL 134 CO -0.56 0.15 -0.05 0.40 0.02 0.00 0.00 177.57 177.52 2jpo h ILE 135 N 0.45 1.09 -0.99 4.57 2.04 -1.31 -3.30 117.51 120.07 2jpo h ILE 135 Ca 0.13 -1.22 0.36 0.00 1.00 0.00 0.00 64.86 65.12 2jpo h ILE 135 Cb 0.06 1.81 -0.17 0.00 -0.74 0.00 0.00 36.82 37.78 2jpo h ILE 135 CO -0.02 0.27 0.45 1.23 0.00 0.00 0.00 178.15 180.08 2jpo h GLY 136 N -0.76 2.00 0.29 5.37 0.00 -0.52 -1.45 103.07 108.00 2jpo h GLY 136 Ca -0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 2jpo h GLY 136 CO 0.02 -0.65 -0.00 0.83 0.00 0.00 0.00 176.54 176.74 2jpo h GLU 137 N 0.10 0.00 -0.40 4.80 4.39 -1.38 -1.70 114.58 120.40 2jpo h GLU 137 Ca 0.76 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 60.51 2jpo h GLU 137 Cb 1.86 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.46 2jpo h GLU 137 CO -0.74 0.72 0.09 -0.24 -1.16 0.00 0.00 179.01 177.68 2jpo h VAL 138 N -0.71 0.81 -0.87 3.13 3.04 -1.54 0.14 116.25 120.23 2jpo h VAL 138 Ca -0.00 -0.08 0.17 0.00 -1.01 0.00 0.00 66.70 65.78 2jpo h VAL 138 Cb 0.72 0.56 -0.07 0.00 -2.01 0.00 0.00 31.29 30.50 2jpo h VAL 138 CO 0.00 0.04 0.57 -0.07 -1.01 0.00 0.00 177.57 177.10 2jpo h LEU 139 N 0.23 0.53 0.06 3.16 4.07 -1.32 0.11 115.31 122.15 2jpo h LEU 139 Ca 0.19 0.04 -0.24 0.00 0.08 0.00 0.00 57.88 57.95 2jpo h LEU 139 Cb 0.22 -0.06 0.02 0.00 1.08 0.00 0.00 40.66 41.92 2jpo h LEU 139 CO -0.24 0.25 -0.97 0.00 -1.08 0.00 0.00 178.44 176.40 2jpo h ALA 140 N 1.61 0.03 0.76 1.53 0.00 -0.30 -3.38 119.26 119.52 2jpo h ALA 140 Ca 0.45 -0.69 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2jpo h ALA 140 Cb 0.90 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.77 2jpo h ALA 140 CO -0.19 0.55 -0.36 1.49 0.00 0.00 0.00 179.25 180.74 2jpo h GLU 141 N 0.12 -0.98 0.00 0.00 4.22 -0.12 0.18 114.58 118.00 2jpo h GLU 141 Ca -0.14 0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.37 2jpo h GLU 141 Cb 1.67 0.22 0.00 0.00 0.50 0.00 0.00 28.75 31.14 2jpo h GLU 141 CO 0.19 -0.65 0.00 0.28 -2.18 0.00 0.00 179.01 176.65