#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 4.48 0.25 4.33 0.04 -1.26 -4.94 135.00 137.90 2jpo s PRO 2 Ca 0.00 1.75 0.13 0.00 0.04 0.00 0.00 61.00 62.92 2jpo s PRO 2 Cb 0.00 -3.33 0.14 0.00 0.04 0.00 0.00 34.50 31.36 2jpo s PRO 2 CO 0.00 -0.15 1.47 1.49 0.04 0.00 0.00 177.00 179.85 2jpo h GLU 3 N 6.26 0.00 -6.94 4.56 4.57 -2.10 -3.47 114.58 117.46 2jpo h GLU 3 Ca -0.42 0.00 -0.41 0.00 -1.18 0.00 0.00 59.36 57.34 2jpo h GLU 3 Cb 1.21 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 2jpo h GLU 3 CO 0.78 0.65 -0.73 0.44 -1.18 0.00 0.00 179.01 178.97 2jpo n ILE 4 N -3.40 -1.91 -0.37 2.32 -5.35 -1.26 -4.93 119.36 104.46 2jpo n ILE 4 Ca 0.00 -0.33 -0.27 0.00 -0.27 0.00 0.00 62.75 61.89 2jpo n ILE 4 Cb 0.74 -1.64 0.25 0.00 -1.74 0.00 0.00 39.64 37.24 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 -3.48 -3.68 -1.82 6.28 2.81 -1.26 -4.78 117.12 111.18 2jpo n MET 5 Ca -0.11 -1.09 -0.21 0.00 -1.81 0.00 0.00 57.70 54.49 2jpo n MET 5 Cb 0.41 -1.83 -0.08 0.00 -0.71 0.00 0.00 33.22 31.01 2jpo n MET 5 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2jpo s LYS 6 N -4.45 1.85 -0.38 0.03 1.02 -1.26 -4.68 119.74 111.87 2jpo s LYS 6 Ca 0.59 -0.59 0.05 0.00 0.02 0.00 0.00 55.97 56.04 2jpo s LYS 6 Cb -0.13 -5.07 0.45 0.00 -0.52 0.00 0.00 37.83 32.57 2jpo s LYS 6 CO 0.53 -4.61 1.32 0.09 -0.92 0.00 0.00 175.35 171.76 2jpo n ASN 7 N 17.03 5.37 0.00 2.83 3.02 -1.26 -4.90 115.26 137.35 2jpo n ASN 7 Ca 0.43 -3.75 0.00 0.00 -0.03 0.00 0.00 54.58 51.23 2jpo n ASN 7 Cb 0.46 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 2jpo n ASN 7 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2jpo n LEU 8 N -0.70 0.19 0.42 3.41 -0.00 -1.26 -4.86 117.00 114.20 2jpo n LEU 8 Ca 0.46 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 56.31 2jpo n LEU 8 Cb 0.86 -0.60 -0.08 0.00 -0.00 0.00 0.00 43.42 43.60 2jpo n LEU 8 CO 0.45 -0.09 0.43 0.28 -0.00 0.00 0.00 177.39 178.45 2jpo h SER 9 N 0.00 -0.92 0.00 1.96 0.02 -1.90 0.11 113.55 112.83 2jpo h SER 9 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2jpo h SER 9 Cb 0.00 0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2jpo h SER 9 CO 0.00 -0.55 0.04 0.78 -1.14 0.00 0.00 176.83 175.95 2jpo h ASN 10 N -1.29 0.00 0.02 3.07 2.35 -1.89 -2.49 115.58 115.36 2jpo h ASN 10 Ca -0.11 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.25 2jpo h ASN 10 Cb 0.83 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.14 2jpo h ASN 10 CO 0.18 0.00 -2.39 0.59 -1.65 0.00 0.00 177.43 174.16 2jpo n ASN 11 N -2.55 2.01 0.01 5.81 3.02 -0.88 -3.17 115.26 119.50 2jpo n ASN 11 Ca -0.02 -0.06 -0.10 0.00 -0.03 0.00 0.00 54.58 54.37 2jpo n ASN 11 Cb 0.08 -0.50 -0.04 0.00 -0.61 0.00 0.00 39.78 38.71 2jpo n ASN 11 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2jpo h PHE 12 N -0.01 -0.28 0.00 3.10 3.04 -0.36 -1.60 116.94 120.83 2jpo h PHE 12 Ca -0.55 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.35 2jpo h PHE 12 Cb 1.92 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 40.56 2jpo h PHE 12 CO 0.04 -0.17 -0.29 0.78 -2.02 0.00 0.00 178.31 176.65 2jpo h GLY 13 N -0.15 0.00 0.47 2.40 0.00 -1.66 -2.44 103.07 101.70 2jpo h GLY 13 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.41 2jpo h GLY 13 CO -0.18 0.00 -0.38 1.70 0.00 0.00 0.00 176.54 177.68 2jpo h LYS 14 N 0.00 -0.67 -0.15 4.80 3.64 -1.34 -1.89 116.57 120.96 2jpo h LYS 14 Ca -0.00 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2jpo h LYS 14 Cb 0.56 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 2jpo h LYS 14 CO 0.04 -0.45 0.00 0.00 -2.27 0.00 0.00 179.45 176.78 2jpo h ALA 15 N -0.21 1.72 -0.38 5.00 0.00 -0.83 0.09 119.26 124.64 2jpo h ALA 15 Ca -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2jpo h ALA 15 Cb 0.67 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2jpo h ALA 15 CO -0.14 0.21 0.11 1.98 0.00 0.00 0.00 179.25 181.41 2jpo h MET 16 N 0.22 0.60 0.31 0.00 4.05 -1.29 -1.44 114.93 117.37 2jpo h MET 16 Ca 0.05 -0.13 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 2jpo h MET 16 Cb 0.15 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 30.83 2jpo h MET 16 CO 0.00 0.62 -0.52 0.22 0.23 0.00 0.00 176.91 177.46 2jpo h ASP 17 N 0.47 -1.49 -1.02 1.39 1.82 -0.22 0.23 116.42 117.61 2jpo h ASP 17 Ca 0.12 0.14 0.25 0.00 -0.39 0.00 0.00 57.03 57.15 2jpo h ASP 17 Cb 0.27 0.52 -0.11 0.00 0.68 0.00 0.00 39.33 40.69 2jpo h ASP 17 CO -0.00 -0.61 0.62 1.56 -1.61 0.00 0.00 179.24 179.20 2jpo h GLN 18 N -0.88 0.53 0.09 0.28 1.08 -0.97 -0.17 115.11 115.07 2jpo h GLN 18 Ca -0.03 -0.03 -0.31 0.00 -1.45 0.00 0.00 58.65 56.83 2jpo h GLN 18 Cb 0.82 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 2jpo h GLN 18 CO -0.18 0.35 -1.62 0.00 -0.95 0.00 0.00 178.83 176.43 2jpo n LYS 20 N -3.37 0.01 0.00 0.00 4.81 0.77 -1.80 118.16 118.59 2jpo n LYS 20 Ca -0.18 0.42 -0.04 0.00 -0.87 0.00 0.00 58.31 57.64 2jpo n LYS 20 Cb 1.04 -1.53 -0.01 0.00 0.02 0.00 0.00 35.03 34.55 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 -1.55 1.11 0.16 3.14 2.03 -0.21 -2.58 116.55 118.66 2jpo n ASP 21 Ca 0.01 0.16 0.03 0.00 0.52 0.00 0.00 54.79 55.52 2jpo n ASP 21 Cb 0.06 -0.38 0.42 0.00 -0.72 0.00 0.00 41.12 40.51 2jpo n ASP 21 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2jpo h GLU 22 N -0.25 0.13 0.00 -0.67 5.08 -0.86 -3.13 114.58 114.88 2jpo h GLU 22 Ca -0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2jpo h GLU 22 Cb 0.47 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2jpo h GLU 22 CO -0.03 0.31 -0.73 1.28 -1.00 0.00 0.00 179.01 178.84 2jpo n LEU 23 N -4.27 0.54 -3.43 1.33 4.77 -0.74 -5.02 117.00 110.17 2jpo n LEU 23 Ca -0.01 -0.44 -0.22 0.00 -0.03 0.00 0.00 56.01 55.31 2jpo n LEU 23 Cb 0.28 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.44 2jpo n LEU 23 CO 0.37 0.13 0.22 -0.24 -1.33 0.00 0.00 177.39 176.55 2jpo n SER 24 N -1.39 -5.63 -4.76 -1.43 2.88 -1.06 -4.94 113.62 97.29 2jpo n SER 24 Ca 0.02 -0.52 -0.41 0.00 -1.33 0.00 0.00 58.87 56.62 2jpo n SER 24 Cb 0.22 -4.83 -0.02 0.00 -0.75 0.00 0.00 64.21 58.83 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 -6.89 4.39 0.67 2.46 1.43 -1.13 -4.96 118.68 114.64 2jpo s LEU 25 Ca 0.48 2.78 -0.14 0.00 -1.03 0.00 0.00 54.13 56.22 2jpo s LEU 25 Cb -0.21 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.36 2jpo s LEU 25 CO 0.69 -0.67 1.09 -2.16 0.23 0.00 0.00 176.35 175.53 2jpo s PRO 26 N -1.43 2.84 0.56 1.29 0.04 -1.26 -4.79 135.00 132.25 2jpo s PRO 26 Ca 0.53 1.26 0.28 0.00 0.04 0.00 0.00 61.00 63.11 2jpo s PRO 26 Cb -0.42 -1.96 1.65 0.00 0.04 0.00 0.00 34.50 33.80 2jpo s PRO 26 CO 0.52 -1.20 2.18 0.22 0.04 0.00 0.00 177.00 178.76 2jpo h ASP 27 N -0.15 0.00 0.42 6.66 3.58 -1.98 0.67 116.42 125.61 2jpo h ASP 27 Ca -0.46 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.97 2jpo h ASP 27 Cb 1.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 2jpo h ASP 27 CO 0.55 0.05 -0.20 0.77 -2.88 0.00 0.00 179.24 177.53 2jpo h SER 28 N 0.00 -0.47 -0.74 2.28 4.64 -1.98 0.54 113.55 117.81 2jpo h SER 28 Ca -0.00 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.18 2jpo h SER 28 Cb 0.13 0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 2jpo h SER 28 CO 0.01 -0.12 0.36 0.58 -0.87 0.00 0.00 176.83 176.78 2jpo h VAL 29 N -0.86 1.24 0.45 0.95 2.07 -1.63 0.27 116.25 118.73 2jpo h VAL 29 Ca -0.06 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 2jpo h VAL 29 Cb 0.55 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2jpo h VAL 29 CO 0.09 0.28 -0.22 0.58 0.02 0.00 0.00 177.57 178.33 2jpo h VAL 30 N 1.04 0.55 -0.84 2.57 2.07 -0.96 0.13 116.25 120.82 2jpo h VAL 30 Ca 0.26 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 2jpo h VAL 30 Cb 0.12 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 2jpo h VAL 30 CO -0.03 0.03 0.50 0.00 0.02 0.00 0.00 177.57 178.09 2jpo h ALA 31 N -0.18 1.31 0.00 1.67 0.00 -0.59 -1.72 119.26 119.75 2jpo h ALA 31 Ca -0.06 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2jpo h ALA 31 Cb 0.51 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jpo h ALA 31 CO 0.10 0.59 -0.28 -0.44 0.00 0.00 0.00 179.25 179.22 2jpo h ASP 32 N 1.15 0.00 -0.35 0.00 3.32 -0.31 -0.09 116.42 120.14 2jpo h ASP 32 Ca 0.30 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.30 2jpo h ASP 32 Cb -0.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2jpo h ASP 32 CO -0.06 0.28 0.00 -0.07 -1.72 0.00 0.00 179.24 177.68 2jpo h LEU 33 N 0.00 0.60 -1.00 1.55 4.07 0.10 0.12 115.31 120.76 2jpo h LEU 33 Ca -0.00 -0.31 0.03 0.00 0.08 0.00 0.00 57.88 57.68 2jpo h LEU 33 Cb 0.91 -0.16 -0.06 0.00 1.08 0.00 0.00 40.66 42.43 2jpo h LEU 33 CO 0.04 0.76 0.65 1.88 -1.08 0.00 0.00 178.44 180.69 2jpo h TYR 34 N 0.43 1.23 -0.05 1.13 -1.99 -1.01 -2.33 116.97 114.38 2jpo h TYR 34 Ca 0.10 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.81 2jpo h TYR 34 Cb 0.45 -0.41 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 2jpo h TYR 34 CO 0.04 0.73 -0.22 -0.91 -0.00 0.00 0.00 178.16 177.79 2jpo h ASN 35 N 1.28 0.08 -0.82 3.88 2.35 -0.47 -2.79 115.58 119.09 2jpo h ASN 35 Ca 0.39 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 56.10 2jpo h ASN 35 Cb -0.04 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 2jpo h ASN 35 CO -0.11 0.31 0.44 0.15 -1.65 0.00 0.00 177.43 176.57 2jpo h PHE 36 N 0.07 1.13 -0.54 1.19 3.57 -0.40 -1.52 116.94 120.45 2jpo h PHE 36 Ca 0.01 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2jpo h PHE 36 Cb 0.44 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.82 2jpo h PHE 36 CO 0.00 0.79 0.00 0.91 -2.23 0.00 0.00 178.31 177.79 2jpo n TRP 37 N -4.39 0.71 0.06 0.41 7.02 -1.22 -4.46 117.44 115.57 2jpo n TRP 37 Ca 0.08 -0.35 -0.03 0.00 -1.02 0.00 0.00 57.50 56.18 2jpo n TRP 37 Cb 0.10 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 28.98 2jpo n TRP 37 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 2jpo h LYS 38 N 4.31 -0.17 0.00 -0.99 1.57 -0.98 -3.49 116.57 116.82 2jpo h LYS 38 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2jpo h LYS 38 Cb 0.97 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2jpo h LYS 38 CO 0.00 -0.11 0.00 -3.47 -0.57 0.00 0.00 179.45 175.30 2jpo n ASP 39 N -2.93 0.00 -3.15 0.86 2.03 -1.24 -5.08 116.55 107.04 2jpo n ASP 39 Ca -0.02 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.24 2jpo n ASP 39 Cb 0.07 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.45 2jpo n ASP 39 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jpo s ASP 40 N 1.00 -0.84 0.09 1.67 2.15 -1.26 -5.09 116.67 114.39 2jpo s ASP 40 Ca 0.00 -1.27 0.06 0.00 0.43 0.00 0.00 52.55 51.77 2jpo s ASP 40 Cb 0.00 1.56 -0.03 0.00 -0.30 0.00 0.00 42.92 44.15 2jpo s ASP 40 CO 0.00 -0.16 -0.16 -0.47 -0.17 0.00 0.00 175.17 174.21 2jpo s TYR 41 N 1.45 1.43 -0.11 -5.34 6.14 -1.26 -5.10 117.35 114.55 2jpo s TYR 41 Ca 0.20 -0.46 0.03 0.00 0.64 0.00 0.00 57.07 57.48 2jpo s TYR 41 Cb -0.05 -0.78 0.00 0.00 0.42 0.00 0.00 41.96 41.55 2jpo s TYR 41 CO -0.06 0.12 -0.23 0.08 0.64 0.00 0.00 175.55 176.10 2jpo s VAL 42 N -1.38 2.11 0.41 3.14 1.01 -1.26 -4.68 120.40 119.75 2jpo s VAL 42 Ca 0.02 -0.99 -0.24 0.00 0.00 0.00 0.00 61.98 60.77 2jpo s VAL 42 Cb -0.09 -1.82 -0.08 0.00 0.00 0.00 0.00 36.38 34.39 2jpo s VAL 42 CO 0.03 0.56 1.13 -0.04 0.00 0.00 0.00 175.10 176.77 2jpo s MET 43 N 0.48 4.03 0.00 2.72 -1.94 -1.26 -4.97 119.30 118.36 2jpo s MET 43 Ca -0.15 1.71 0.00 0.00 -1.71 0.00 0.00 55.69 55.54 2jpo s MET 43 Cb -0.17 -2.58 0.00 0.00 2.01 0.00 0.00 34.83 34.09 2jpo s MET 43 CO 0.06 -0.30 0.00 0.25 -0.01 0.00 0.00 175.02 175.01 2jpo n THR 44 N -0.08 0.00 -2.32 2.05 -2.24 -1.26 -5.02 114.28 105.41 2jpo n THR 44 Ca 0.05 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.42 2jpo n THR 44 Cb 0.48 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 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 -1.83 7.02 0.40 3.42 -1.08 -1.26 -4.93 116.67 118.41 2jpo s ASP 45 Ca 0.00 2.31 0.07 0.00 -0.52 0.00 0.00 52.55 54.41 2jpo s ASP 45 Cb 0.00 -2.61 0.84 0.00 -1.46 0.00 0.00 42.92 39.69 2jpo s ASP 45 CO 0.00 -0.42 2.04 0.08 0.52 0.00 0.00 175.17 177.39 2jpo h ARG 46 N 5.16 0.58 -0.29 4.34 -0.00 -1.96 -2.37 114.38 119.83 2jpo h ARG 46 Ca -0.45 -0.03 0.08 0.00 -0.00 0.00 0.00 59.98 59.58 2jpo h ARG 46 Cb 1.21 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.97 31.04 2jpo h ARG 46 CO 0.75 0.38 0.21 -0.07 -0.00 0.00 0.00 179.97 181.24 2jpo h LEU 47 N 0.60 0.00 -0.40 0.08 3.38 -1.91 -0.91 115.31 116.14 2jpo h LEU 47 Ca 0.19 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.23 2jpo h LEU 47 Cb 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 2jpo h LEU 47 CO -0.05 0.00 0.05 0.00 0.09 0.00 0.00 178.44 178.53 2jpo h ALA 48 N 1.85 0.41 0.00 1.53 0.00 -1.76 -0.82 119.26 120.46 2jpo h ALA 48 Ca 0.14 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2jpo h ALA 48 Cb 0.56 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2jpo h ALA 48 CO -0.00 -0.35 0.00 0.78 0.00 0.00 0.00 179.25 179.68 2jpo h GLY 49 N 0.17 0.00 0.92 0.00 0.00 -1.30 -2.08 103.07 100.78 2jpo h GLY 49 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.45 2jpo h GLY 49 CO -0.29 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 176.17 2jpo h ALA 51 N 0.81 0.17 0.21 0.00 0.00 -0.55 -0.94 119.26 118.96 2jpo h ALA 51 Ca 0.08 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2jpo h ALA 51 Cb 0.58 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2jpo h ALA 51 CO 0.03 -0.47 -0.22 0.82 0.00 0.00 0.00 179.25 179.42 2jpo h ILE 52 N 0.00 0.52 0.00 0.00 2.04 -1.35 -1.10 117.51 117.63 2jpo h ILE 52 Ca 0.12 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.96 2jpo h ILE 52 Cb 0.18 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2jpo h ILE 52 CO -0.26 0.00 -0.09 -0.55 0.00 0.00 0.00 178.15 177.26 2jpo h ASN 53 N -0.47 0.00 -0.16 1.72 7.08 -0.92 -1.85 115.58 120.98 2jpo h ASN 53 Ca 0.00 0.00 -0.15 0.00 -3.08 0.00 0.00 56.30 53.07 2jpo h ASN 53 Cb 0.44 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.68 2jpo h ASN 53 CO -0.06 0.09 -0.48 0.00 -2.08 0.00 0.00 177.43 174.90 2jpo h LEU 55 N 0.27 0.49 -0.04 0.00 4.07 -0.42 -2.37 115.31 117.31 2jpo h LEU 55 Ca -0.02 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2jpo h LEU 55 Cb 1.11 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.77 2jpo h LEU 55 CO 0.10 0.26 0.00 0.00 -1.08 0.00 0.00 178.44 177.73 2jpo n ALA 56 N -2.49 2.22 -0.70 1.53 0.00 -0.88 -1.06 120.51 119.14 2jpo n ALA 56 Ca 0.15 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.60 2jpo n ALA 56 Cb 0.47 -1.45 0.25 0.00 0.00 0.00 0.00 19.45 18.72 2jpo n ALA 56 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2jpo n THR 57 N -1.78 1.88 -2.45 0.00 5.66 -0.91 -4.51 114.28 112.17 2jpo n THR 57 Ca 0.06 -1.51 -0.12 0.00 -3.05 0.00 0.00 64.05 59.43 2jpo n THR 57 Cb 0.35 0.01 0.04 0.00 -1.55 0.00 0.00 70.33 69.18 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 0.05 2.63 0.33 1.09 5.02 -0.22 -4.81 118.16 122.24 2jpo n LYS 58 Ca 0.19 -3.83 0.21 0.00 -2.02 0.00 0.00 58.31 52.87 2jpo n LYS 58 Cb 0.77 -1.93 1.14 0.00 -0.02 0.00 0.00 35.03 34.99 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 2.41 0.00 -0.15 -0.35 -0.00 -1.77 0.84 115.31 116.30 2jpo h LEU 59 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 2jpo h LEU 59 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.05 2jpo h LEU 59 CO 0.46 0.00 0.00 -0.90 -0.00 0.00 0.00 178.44 178.01 2jpo n ASP 60 N -3.17 0.54 -0.08 -0.43 5.68 -1.26 -0.55 116.55 117.28 2jpo n ASP 60 Ca -0.03 0.57 -0.12 0.00 -0.50 0.00 0.00 54.79 54.71 2jpo n ASP 60 Cb 0.10 -0.71 -0.08 0.00 -1.14 0.00 0.00 41.12 39.29 2jpo n ASP 60 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 2jpo n VAL 61 N -2.03 0.95 0.07 2.12 3.14 0.19 -2.88 118.33 119.89 2jpo n VAL 61 Ca 0.05 -0.35 -0.08 0.00 -2.96 0.00 0.00 64.34 60.99 2jpo n VAL 61 Cb 0.35 -1.14 0.04 0.00 -1.06 0.00 0.00 33.84 32.02 2jpo n VAL 61 CO 0.00 0.00 0.00 1.62 -6.46 0.00 0.00 176.83 171.99 2jpo h VAL 62 N -0.06 1.41 -2.17 1.55 3.04 -1.38 -3.40 116.25 115.25 2jpo h VAL 62 Ca -0.38 -2.25 -0.58 0.00 -1.01 0.00 0.00 66.70 62.49 2jpo h VAL 62 Cb 1.56 2.20 -0.39 0.00 -2.01 0.00 0.00 31.29 32.64 2jpo h VAL 62 CO -0.08 0.67 -0.99 -0.67 -1.01 0.00 0.00 177.57 175.50 2jpo n ASP 63 N -3.79 0.60 0.00 3.17 2.03 0.29 -4.06 116.55 114.79 2jpo n ASP 63 Ca -0.04 -2.73 0.06 0.00 0.52 0.00 0.00 54.79 52.60 2jpo n ASP 63 Cb 0.72 -0.63 0.28 0.00 -0.72 0.00 0.00 41.12 40.78 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 1.72 0.07 0.23 -0.67 -0.04 -1.14 -2.51 135.00 132.66 2jpo n PRO 64 Ca 0.24 0.24 0.06 0.00 -0.04 0.00 0.00 63.50 64.01 2jpo n PRO 64 Cb 0.49 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 32.99 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 0.00 0.00 3.54 5.19 -1.91 -3.47 116.42 119.77 2jpo h ASP 65 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2jpo h ASP 65 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 2jpo h ASP 65 CO 0.00 0.16 0.00 0.61 -3.12 0.00 0.00 179.24 176.89 2jpo n GLY 66 N -1.06 1.82 0.54 2.75 0.00 -1.05 -5.04 105.19 103.16 2jpo n GLY 66 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 1.24 -4.67 1.61 3.02 -1.26 -4.94 115.26 110.26 2jpo n ASN 67 Ca 0.00 0.10 -0.42 0.00 -0.03 0.00 0.00 54.58 54.23 2jpo n ASN 67 Cb 0.00 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 38.84 2jpo n ASN 67 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2jpo s LEU 68 N -6.42 4.31 0.09 3.41 2.96 -1.26 -3.73 118.68 118.04 2jpo s LEU 68 Ca -0.15 2.16 -0.04 0.00 -0.22 0.00 0.00 54.13 55.88 2jpo s LEU 68 Cb 0.06 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.17 2jpo s LEU 68 CO 0.21 -0.84 0.09 -1.00 -1.32 0.00 0.00 176.35 173.49 2jpo s HIS 69 N 3.27 0.47 0.32 5.38 3.76 -1.18 -4.71 115.29 122.59 2jpo s HIS 69 Ca 0.68 -0.92 -0.29 0.00 -0.15 0.00 0.00 55.06 54.38 2jpo s HIS 69 Cb -0.32 -0.27 -0.12 0.00 1.11 0.00 0.00 32.58 32.98 2jpo s HIS 69 CO 0.27 -0.50 1.48 -2.39 -0.85 0.00 0.00 174.74 172.75 2jpo n HIS 70 N -0.02 2.67 -1.95 1.40 1.44 -1.26 -0.71 115.22 116.78 2jpo n HIS 70 Ca -0.12 0.39 -0.17 0.00 -2.01 0.00 0.00 57.72 55.82 2jpo n HIS 70 Cb 0.62 -2.52 -0.04 0.00 0.12 0.00 0.00 29.99 28.17 2jpo n HIS 70 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2jpo n GLY 71 N 1.43 0.58 2.67 -1.39 0.00 0.52 -4.86 105.19 104.13 2jpo n GLY 71 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.43 -0.53 0.00 1.61 5.15 0.11 -4.83 115.26 115.34 2jpo n ASN 72 Ca -0.19 -2.63 0.04 0.00 -0.60 0.00 0.00 54.58 51.20 2jpo n ASN 72 Cb 0.61 0.40 0.19 0.00 -0.53 0.00 0.00 39.78 40.45 2jpo n ASN 72 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jpo n ALA 73 N -0.32 1.46 0.41 5.20 0.00 -1.24 -3.11 120.51 122.90 2jpo n ALA 73 Ca 0.03 -0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2jpo n ALA 73 Cb 0.83 -1.13 -0.09 0.00 0.00 0.00 0.00 19.45 19.05 2jpo n ALA 73 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2jpo h LYS 74 N 0.00 -1.11 -0.42 0.00 1.63 -1.89 0.29 116.57 115.08 2jpo h LYS 74 Ca 0.00 0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 59.86 2jpo h LYS 74 Cb 0.11 0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 2jpo h LYS 74 CO 0.00 -0.74 0.19 0.22 -3.45 0.00 0.00 179.45 175.68 2jpo h ASP 75 N -1.15 0.52 0.60 4.20 3.58 -1.79 -0.23 116.42 122.15 2jpo h ASP 75 Ca -0.10 -0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.23 2jpo h ASP 75 Cb 0.92 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 2jpo h ASP 75 CO 0.09 0.45 -0.35 0.15 -2.88 0.00 0.00 179.24 176.70 2jpo h PHE 76 N 0.58 0.00 0.04 0.28 3.57 -1.46 -1.63 116.94 118.32 2jpo h PHE 76 Ca 0.15 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.49 2jpo h PHE 76 Cb 0.08 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.83 2jpo h PHE 76 CO 0.00 0.35 -0.63 0.00 -2.23 0.00 0.00 178.31 175.81 2jpo h ALA 77 N 1.65 0.02 -0.53 2.41 0.00 0.56 -3.30 119.26 120.08 2jpo h ALA 77 Ca -0.00 -0.60 0.03 0.00 0.00 0.00 0.00 54.91 54.34 2jpo h ALA 77 Cb 0.75 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2jpo h ALA 77 CO 0.05 0.34 0.30 0.52 0.00 0.00 0.00 179.25 180.45 2jpo h MET 78 N -0.21 0.56 -0.14 0.00 2.86 -0.79 0.62 114.93 117.83 2jpo h MET 78 Ca -0.09 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2jpo h MET 78 Cb 1.38 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.91 2jpo h MET 78 CO 0.12 0.37 0.00 1.63 1.06 0.00 0.00 176.91 180.09 2jpo n LYS 79 N -4.83 0.76 0.00 1.72 4.76 -0.64 -3.66 118.16 116.27 2jpo n LYS 79 Ca 0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2jpo n LYS 79 Cb 0.11 -1.07 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 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 -0.39 0.00 0.00 2.13 8.25 -0.63 -5.06 115.22 119.52 2jpo n HIS 80 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2jpo n HIS 80 Cb 0.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.14 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 0.10 -0.09 3.07 -1.41 0.00 0.11 -5.08 105.19 101.90 2jpo n GLY 81 Ca 0.00 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 2jpo n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jpo n ALA 82 N 0.00 0.41 -2.41 4.61 0.00 -0.62 -4.93 120.51 117.57 2jpo n ALA 82 Ca 0.00 -1.76 -0.22 0.00 0.00 0.00 0.00 53.44 51.47 2jpo n ALA 82 Cb 0.00 1.42 -0.09 0.00 0.00 0.00 0.00 19.45 20.78 2jpo n ALA 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jpo s ASP 83 N -3.16 2.11 0.61 0.00 1.01 -1.26 -4.53 116.67 111.44 2jpo s ASP 83 Ca 0.35 -1.58 0.33 0.00 0.71 0.00 0.00 52.55 52.36 2jpo s ASP 83 Cb 0.01 0.38 1.81 0.00 1.01 0.00 0.00 42.92 46.12 2jpo s ASP 83 CO 0.25 -0.87 2.01 -0.33 0.21 0.00 0.00 175.17 176.43 2jpo h GLU 84 N 2.04 0.00 0.00 8.23 5.08 -1.97 0.23 114.58 128.19 2jpo h GLU 84 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2jpo h GLU 84 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2jpo h GLU 84 CO 0.55 0.00 0.00 2.41 -1.00 0.00 0.00 179.01 180.97 2jpo n THR 85 N -2.83 0.00 0.01 1.13 -1.04 -1.26 -3.27 114.28 107.02 2jpo n THR 85 Ca -0.02 0.88 -0.10 0.00 -2.04 0.00 0.00 64.05 62.77 2jpo n THR 85 Cb 0.23 -1.85 -0.03 0.00 -1.82 0.00 0.00 70.33 66.86 2jpo n THR 85 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 2jpo h MET 86 N 0.00 -0.18 -0.81 -2.82 2.86 -1.72 0.24 114.93 112.50 2jpo h MET 86 Ca 0.00 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 2jpo h MET 86 Cb 0.00 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.65 2jpo h MET 86 CO 0.00 -0.12 0.53 0.00 1.06 0.00 0.00 176.91 178.38 2jpo h ALA 87 N 0.86 1.56 -0.27 6.32 0.00 -0.80 0.23 119.26 127.16 2jpo h ALA 87 Ca 0.08 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 2jpo h ALA 87 Cb 0.30 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jpo h ALA 87 CO -0.21 0.33 -0.59 0.37 0.00 0.00 0.00 179.25 179.15 2jpo h GLN 88 N 0.94 0.87 -0.46 0.00 5.75 -1.36 -2.11 115.11 118.73 2jpo h GLN 88 Ca 0.33 -0.57 0.03 0.00 -0.15 0.00 0.00 58.65 58.29 2jpo h GLN 88 Cb 0.13 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 2jpo h GLN 88 CO -0.11 1.21 0.24 1.96 -2.65 0.00 0.00 178.83 179.48 2jpo h GLN 89 N 0.65 0.47 0.02 1.69 4.20 0.11 -0.25 115.11 122.00 2jpo h GLN 89 Ca 0.00 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.70 2jpo h GLN 89 Cb 1.20 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.86 2jpo h GLN 89 CO 0.13 0.31 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.44 2jpo h LEU 90 N 0.48 -0.24 -1.43 1.46 4.07 -0.67 -1.18 115.31 117.80 2jpo h LEU 90 Ca 0.20 0.03 0.05 0.00 0.08 0.00 0.00 57.88 58.24 2jpo h LEU 90 Cb 0.08 0.10 -0.04 0.00 1.08 0.00 0.00 40.66 41.88 2jpo h LEU 90 CO -0.13 -0.13 0.43 1.62 -1.08 0.00 0.00 178.44 179.16 2jpo h VAL 91 N -0.16 1.05 -0.04 1.22 3.04 -1.14 -0.48 116.25 119.74 2jpo h VAL 91 Ca 0.03 -0.25 -0.09 0.00 -1.01 0.00 0.00 66.70 65.38 2jpo h VAL 91 Cb 0.19 0.27 -0.01 0.00 -2.01 0.00 0.00 31.29 29.73 2jpo h VAL 91 CO -0.07 0.13 -0.41 -0.78 -1.01 0.00 0.00 177.57 175.43 2jpo h ASP 92 N 0.72 0.08 0.39 3.17 3.58 -0.48 0.15 116.42 124.03 2jpo h ASP 92 Ca 0.27 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.67 2jpo h ASP 92 Cb 0.17 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2jpo h ASP 92 CO -0.08 0.48 -0.19 0.40 -2.88 0.00 0.00 179.24 176.98 2jpo h ILE 93 N 0.07 0.63 -0.10 2.25 1.08 0.11 -2.21 117.51 119.34 2jpo h ILE 93 Ca 0.00 -0.14 -0.21 0.00 -0.39 0.00 0.00 64.86 64.12 2jpo h ILE 93 Cb 0.75 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 35.21 2jpo h ILE 93 CO 0.06 0.03 -0.80 -0.29 -0.69 0.00 0.00 178.15 176.46 2jpo h ILE 94 N -0.60 1.33 0.00 -0.67 6.09 -1.05 0.14 117.51 122.74 2jpo h ILE 94 Ca -0.05 -2.11 0.00 0.00 -1.37 0.00 0.00 64.86 61.33 2jpo h ILE 94 Cb 0.45 2.11 0.00 0.00 0.47 0.00 0.00 36.82 39.84 2jpo h ILE 94 CO 0.09 0.65 0.00 0.45 -3.07 0.00 0.00 178.15 176.27 2jpo h HIS 95 N 0.39 0.00 0.00 2.19 3.86 -0.80 0.12 115.15 120.91 2jpo h HIS 95 Ca -0.05 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 2jpo h HIS 95 Cb 1.41 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.87 2jpo h HIS 95 CO 0.07 0.00 -0.32 0.78 0.86 0.00 0.00 177.93 179.32 2jpo h GLY 96 N 0.47 0.00 0.56 2.45 0.00 -0.58 -3.36 103.07 102.61 2jpo h GLY 96 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.43 2jpo h GLY 96 CO 0.00 0.00 0.61 0.00 0.00 0.00 0.00 176.54 177.15 2jpo h GLU 98 N 1.02 0.00 0.00 0.00 4.39 -0.95 -0.10 114.58 118.94 2jpo h GLU 98 Ca 0.46 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.92 2jpo h GLU 98 Cb 0.38 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.98 2jpo h GLU 98 CO -0.24 0.00 -1.97 1.63 -1.16 0.00 0.00 179.01 177.28 2jpo n LYS 99 N -2.84 1.52 0.12 2.33 4.01 -0.26 -4.55 118.16 118.48 2jpo n LYS 99 Ca -0.01 -0.02 0.10 0.00 -0.51 0.00 0.00 58.31 57.86 2jpo n LYS 99 Cb 0.14 -1.37 0.02 0.00 -0.51 0.00 0.00 35.03 33.30 2jpo n LYS 99 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2jpo h SER 100 N 0.00 0.00 -2.70 4.39 0.87 -0.33 -3.48 113.55 112.29 2jpo h SER 100 Ca -0.36 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 59.64 2jpo h SER 100 Cb 1.78 0.00 0.20 0.00 -0.44 0.00 0.00 62.40 63.95 2jpo h SER 100 CO 0.02 0.10 -0.96 0.00 -0.53 0.00 0.00 176.83 175.46 2jpo n ALA 101 N -2.20 -3.06 -1.36 6.23 0.00 -0.09 -4.96 120.51 115.07 2jpo n ALA 101 Ca -0.01 -0.39 -0.33 0.00 0.00 0.00 0.00 53.44 52.71 2jpo n ALA 101 Cb 0.59 -1.57 0.08 0.00 0.00 0.00 0.00 19.45 18.55 2jpo n ALA 101 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jpo s PRO 102 N -2.39 2.34 -1.14 0.00 0.04 -1.26 -4.88 135.00 127.71 2jpo s PRO 102 Ca 0.56 1.54 -0.22 0.00 0.04 0.00 0.00 61.00 62.92 2jpo s PRO 102 Cb -0.31 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.35 2jpo s PRO 102 CO 0.68 -1.63 1.78 -1.25 0.04 0.00 0.00 177.00 176.61 2jpo s PRO 103 N -4.13 3.20 -0.40 0.56 0.04 -1.26 -4.71 135.00 128.30 2jpo s PRO 103 Ca 0.69 -1.27 0.07 0.00 0.04 0.00 0.00 61.00 60.53 2jpo s PRO 103 Cb -0.24 -5.33 0.18 0.00 0.04 0.00 0.00 34.50 29.15 2jpo s PRO 103 CO 0.45 -2.98 0.58 1.21 0.04 0.00 0.00 177.00 176.30 2jpo s ASN 104 N 5.75 -0.99 0.10 6.66 2.47 -1.26 -5.13 114.94 122.54 2jpo s ASN 104 Ca 0.60 -0.97 -0.30 0.00 0.42 0.00 0.00 52.86 52.60 2jpo s ASN 104 Cb -0.00 1.68 -0.06 0.00 -1.45 0.00 0.00 41.25 41.41 2jpo s ASN 104 CO 0.05 -0.19 1.20 1.51 -3.72 0.00 0.00 177.10 175.95 2jpo s ASP 105 N 1.74 7.09 0.10 -4.21 1.47 -1.26 -3.98 116.67 117.61 2jpo s ASP 105 Ca 0.16 2.09 -0.25 0.00 1.18 0.00 0.00 52.55 55.73 2jpo s ASP 105 Cb -0.06 -2.59 0.07 0.00 -0.34 0.00 0.00 42.92 40.00 2jpo s ASP 105 CO -0.06 -0.43 0.64 -0.62 0.68 0.00 0.00 175.17 175.38 2jpo s ASP 106 N 0.73 -0.58 0.48 2.11 -1.08 -1.26 -4.87 116.67 112.20 2jpo s ASP 106 Ca 0.57 0.18 0.21 0.00 -0.52 0.00 0.00 52.55 52.98 2jpo s ASP 106 Cb -0.30 0.57 1.21 0.00 -1.46 0.00 0.00 42.92 42.94 2jpo s ASP 106 CO 0.31 -0.86 2.03 0.11 0.52 0.00 0.00 175.17 177.28 2jpo h LYS 107 N 2.24 0.00 0.00 4.34 1.79 -1.97 -3.19 116.57 119.78 2jpo h LYS 107 Ca -0.32 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.00 2jpo h LYS 107 Cb 1.26 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.89 2jpo h LYS 107 CO 0.38 0.16 -1.56 0.00 -1.08 0.00 0.00 179.45 177.34 2jpo h MET 109 N 0.00 0.00 -0.82 0.00 2.86 -1.81 -3.25 114.93 111.90 2jpo h MET 109 Ca -0.22 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.55 2jpo h MET 109 Cb 1.50 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 33.10 2jpo h MET 109 CO 0.01 0.52 0.54 1.57 1.06 0.00 0.00 176.91 180.60 2jpo h LYS 110 N -1.00 0.61 -0.93 1.72 2.10 -1.68 -0.37 116.57 117.03 2jpo h LYS 110 Ca -0.03 -0.04 0.09 0.00 -2.00 0.00 0.00 60.65 58.67 2jpo h LYS 110 Cb 0.58 -0.14 -0.07 0.00 -0.90 0.00 0.00 32.23 31.71 2jpo h LYS 110 CO -0.02 0.40 0.60 1.15 -2.00 0.00 0.00 179.45 179.59 2jpo h THR 111 N 0.63 1.01 -0.10 0.07 2.02 -1.77 0.14 112.91 114.91 2jpo h THR 111 Ca 0.40 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 2jpo h THR 111 Cb 0.66 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 2jpo h THR 111 CO -0.16 0.18 -0.07 0.40 0.37 0.00 0.00 175.52 176.24 2jpo h ILE 112 N 0.98 1.34 -0.25 3.11 2.04 -1.10 -1.13 117.51 122.50 2jpo h ILE 112 Ca 0.42 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 2jpo h ILE 112 Cb 0.33 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2jpo h ILE 112 CO -0.18 0.33 0.05 0.44 0.00 0.00 0.00 178.15 178.79 2jpo h ASP 113 N -0.15 0.39 -0.43 1.72 3.32 -1.22 -0.28 116.42 119.78 2jpo h ASP 113 Ca 0.02 -0.25 0.05 0.00 0.02 0.00 0.00 57.03 56.87 2jpo h ASP 113 Cb 0.56 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 2jpo h ASP 113 CO 0.02 0.54 0.16 0.58 -1.72 0.00 0.00 179.24 178.82 2jpo h VAL 114 N 0.23 0.88 0.16 -1.35 2.07 -0.81 0.16 116.25 117.60 2jpo h VAL 114 Ca 0.08 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2jpo h VAL 114 Cb 0.31 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2jpo h VAL 114 CO 0.00 0.06 -0.08 0.00 0.02 0.00 0.00 177.57 177.57 2jpo h ALA 115 N 1.27 -0.22 -0.05 1.67 0.00 -0.84 -0.40 119.26 120.69 2jpo h ALA 115 Ca 0.20 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2jpo h ALA 115 Cb 0.18 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jpo h ALA 115 CO -0.19 -0.57 -0.28 0.00 0.00 0.00 0.00 179.25 178.21 2jpo h MET 116 N -0.33 0.10 -0.20 0.00 -0.00 -0.91 -2.46 114.93 111.13 2jpo h MET 116 Ca -0.02 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.70 59.64 2jpo h MET 116 Cb 0.26 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 31.84 2jpo h MET 116 CO 0.04 0.37 0.10 0.00 -0.00 0.00 0.00 176.91 177.41 2jpo h PHE 118 N 0.20 -0.89 -0.77 0.00 3.04 -0.59 0.18 116.94 118.11 2jpo h PHE 118 Ca 0.07 0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.09 2jpo h PHE 118 Cb 0.12 0.40 -0.05 0.00 2.56 0.00 0.00 35.95 38.98 2jpo h PHE 118 CO -0.02 -0.41 0.48 -0.22 -2.02 0.00 0.00 178.31 176.11 2jpo h LYS 119 N -0.46 0.88 -0.23 1.11 3.64 -1.50 -0.84 116.57 119.17 2jpo h LYS 119 Ca 0.07 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2jpo h LYS 119 Cb 0.56 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2jpo h LYS 119 CO -0.29 0.58 0.08 0.87 -2.27 0.00 0.00 179.45 178.42 2jpo h LYS 120 N 0.91 0.19 0.00 1.90 6.56 -0.83 -2.51 116.57 122.78 2jpo h LYS 120 Ca 0.32 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.90 2jpo h LYS 120 Cb 0.08 -0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 31.70 2jpo h LYS 120 CO -0.14 0.12 -0.02 0.93 -2.06 0.00 0.00 179.45 178.29 2jpo h GLU 121 N 0.19 0.00 0.00 3.15 5.08 0.64 -1.07 114.58 122.57 2jpo h GLU 121 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2jpo h GLU 121 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2jpo h GLU 121 CO -0.10 0.02 0.04 0.82 -1.00 0.00 0.00 179.01 178.79 2jpo h ILE 122 N 0.00 0.00 0.00 3.13 2.04 -0.75 -0.66 117.51 121.27 2jpo h ILE 122 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2jpo h ILE 122 Cb 0.31 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2jpo h ILE 122 CO 0.00 0.00 0.07 0.45 0.00 0.00 0.00 178.15 178.67 2jpo h HIS 123 N 0.00 0.00 0.00 1.37 3.86 -1.32 0.12 115.15 119.18 2jpo h HIS 123 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2jpo h HIS 123 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 2jpo h HIS 123 CO 0.00 0.00 -1.00 0.36 0.86 0.00 0.00 177.93 178.15 2jpo n LYS 124 N -2.78 0.55 -0.04 2.45 2.85 -0.25 -4.20 118.16 116.74 2jpo n LYS 124 Ca -0.02 0.10 -0.11 0.00 -1.05 0.00 0.00 58.31 57.23 2jpo n LYS 124 Cb 0.12 -1.79 -0.10 0.00 -0.65 0.00 0.00 35.03 32.62 2jpo n LYS 124 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 2jpo h LEU 125 N 0.00 -0.03 0.00 -5.58 3.38 -1.00 -3.48 115.31 108.61 2jpo h LEU 125 Ca 0.00 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.30 2jpo h LEU 125 Cb 0.96 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2jpo h LEU 125 CO 0.00 0.76 0.00 0.59 0.09 0.00 0.00 178.44 179.88 2jpo n ASN 126 N -4.71 0.00 -3.19 -0.43 3.02 0.05 -4.99 115.26 105.01 2jpo n ASN 126 Ca -0.08 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.30 2jpo n ASN 126 Cb 0.34 -0.37 0.12 0.00 -0.61 0.00 0.00 39.78 39.26 2jpo n ASN 126 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 2jpo n TRP 127 N -2.00 -3.93 -3.65 3.10 4.27 -1.26 -5.07 117.44 108.90 2jpo n TRP 127 Ca 0.00 -0.74 -0.21 0.00 -3.89 0.00 0.00 57.50 52.65 2jpo n TRP 127 Cb 0.00 -0.61 -0.18 0.00 -1.36 0.00 0.00 31.31 29.16 2jpo n TRP 127 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 2jpo s VAL 128 N -2.70 -0.11 0.99 -1.67 1.01 -1.26 -4.87 120.40 111.79 2jpo s VAL 128 Ca 0.46 0.27 -0.12 0.00 0.00 0.00 0.00 61.98 62.58 2jpo s VAL 128 Cb -0.01 -0.27 0.19 0.00 0.00 0.00 0.00 36.38 36.29 2jpo s VAL 128 CO 0.32 0.06 1.08 -2.84 0.00 0.00 0.00 175.10 173.71 2jpo s PRO 129 N 2.17 0.46 0.89 2.72 0.02 -1.26 -5.04 135.00 134.94 2jpo s PRO 129 Ca 0.04 0.79 -0.12 0.00 0.02 0.00 0.00 61.00 61.74 2jpo s PRO 129 Cb -0.13 -1.72 0.09 0.00 0.02 0.00 0.00 34.50 32.76 2jpo s PRO 129 CO -0.05 -2.78 0.93 0.09 -0.33 0.00 0.00 177.00 174.86 2jpo n ASN 130 N -4.25 -0.22 -0.11 2.53 3.02 -1.26 -4.85 115.26 110.12 2jpo n ASN 130 Ca 0.06 0.45 -0.05 0.00 -0.03 0.00 0.00 54.58 55.01 2jpo n ASN 130 Cb 0.55 -1.40 0.01 0.00 -0.61 0.00 0.00 39.78 38.33 2jpo n ASN 130 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 2jpo h MET 131 N -1.45 -0.05 -0.51 3.52 2.86 -1.96 -2.36 114.93 114.98 2jpo h MET 131 Ca -0.44 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.10 2jpo h MET 131 Cb 1.29 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.94 2jpo h MET 131 CO 0.41 -0.03 -0.06 -0.44 1.06 0.00 0.00 176.91 177.84 2jpo h ASP 132 N -0.05 0.95 0.08 1.22 3.32 -1.99 -2.20 116.42 117.74 2jpo h ASP 132 Ca 0.19 -0.34 0.02 0.00 0.02 0.00 0.00 57.03 56.92 2jpo h ASP 132 Cb 0.33 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 2jpo h ASP 132 CO -0.42 1.06 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.76 2jpo h LEU 133 N 0.82 -0.95 0.15 1.55 3.38 -1.86 0.17 115.31 118.57 2jpo h LEU 133 Ca 0.14 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.24 2jpo h LEU 133 Cb 0.61 0.37 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 2jpo h LEU 133 CO 0.04 -0.40 -0.37 0.58 0.09 0.00 0.00 178.44 178.37 2jpo h VAL 134 N -0.52 0.23 0.77 1.22 2.07 -1.23 -2.38 116.25 116.40 2jpo h VAL 134 Ca 0.04 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 2jpo h VAL 134 Cb 0.57 0.23 0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2jpo h VAL 134 CO -0.22 0.00 -0.37 0.40 0.02 0.00 0.00 177.57 177.40 2jpo h ILE 135 N -0.63 0.17 -1.00 4.57 2.04 -1.31 -2.89 117.51 118.47 2jpo h ILE 135 Ca 0.02 -0.13 0.38 0.00 1.00 0.00 0.00 64.86 66.13 2jpo h ILE 135 Cb 0.64 0.20 -0.17 0.00 -0.74 0.00 0.00 36.82 36.75 2jpo h ILE 135 CO -0.20 0.01 0.50 1.23 0.00 0.00 0.00 178.15 179.70 2jpo h GLY 136 N -1.13 2.12 0.80 5.37 0.00 -0.63 -0.23 103.07 109.36 2jpo h GLY 136 Ca -0.11 -0.15 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 2jpo h GLY 136 CO 0.17 -0.69 -0.38 -2.09 0.00 0.00 0.00 176.54 173.55 2jpo h GLU 137 N 0.10 0.45 -0.88 4.80 4.57 -1.25 -2.10 114.58 120.27 2jpo h GLU 137 Ca 0.79 -0.34 0.06 0.00 -1.18 0.00 0.00 59.36 58.69 2jpo h GLU 137 Cb 1.99 0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 30.58 2jpo h GLU 137 CO -0.73 0.96 0.55 -0.24 -1.18 0.00 0.00 179.01 178.37 2jpo h VAL 138 N 0.03 1.05 0.00 0.32 3.04 -0.92 -1.17 116.25 118.61 2jpo h VAL 138 Ca -0.02 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 2jpo h VAL 138 Cb 1.01 -0.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.25 2jpo h VAL 138 CO 0.08 0.18 0.00 0.18 -1.01 0.00 0.00 177.57 177.00 2jpo n LEU 139 N -4.60 0.57 -0.06 3.16 4.77 -0.29 -1.90 117.00 118.65 2jpo n LEU 139 Ca 0.13 0.68 -0.15 0.00 -0.03 0.00 0.00 56.01 56.63 2jpo n LEU 139 Cb 0.17 -0.64 -0.14 0.00 -2.33 0.00 0.00 43.42 40.48 2jpo n LEU 139 CO 0.31 -0.65 -0.99 0.00 -1.33 0.00 0.00 177.39 174.73 2jpo n ALA 140 N -1.75 1.30 0.11 -1.18 0.00 -0.48 -4.36 120.51 114.15 2jpo n ALA 140 Ca 0.01 -0.94 -0.13 0.00 0.00 0.00 0.00 53.44 52.38 2jpo n ALA 140 Cb 0.16 -0.43 -0.08 0.00 0.00 0.00 0.00 19.45 19.10 2jpo n ALA 140 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2jpo h GLU 141 N 0.02 -0.28 0.00 0.00 4.39 -1.38 0.15 114.58 117.48 2jpo h GLU 141 Ca -0.47 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2jpo h GLU 141 Cb 2.04 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.75 2jpo h GLU 141 CO 0.02 0.06 0.00 0.28 -1.16 0.00 0.00 179.01 178.21