#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 4.82 0.38 4.33 0.04 -1.26 -4.90 135.00 138.42 2jpo s PRO 2 Ca 0.00 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.58 2jpo s PRO 2 Cb 0.00 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2jpo s PRO 2 CO 0.00 0.47 0.00 -1.91 0.04 0.00 0.00 177.00 175.60 2jpo n GLU 3 N 1.46 0.00 -2.96 4.56 4.07 -1.26 -5.04 120.64 121.46 2jpo n GLU 3 Ca -0.02 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 56.93 2jpo n GLU 3 Cb 0.47 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.84 2jpo n GLU 3 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 2jpo n ILE 4 N -3.49 -0.36 -2.18 6.31 -5.35 -1.26 -5.06 119.36 107.98 2jpo n ILE 4 Ca 0.00 -2.46 -0.05 0.00 -0.27 0.00 0.00 62.75 59.97 2jpo n ILE 4 Cb 0.00 -0.04 0.01 0.00 -1.74 0.00 0.00 39.64 37.87 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 1.88 -0.38 -3.07 6.28 2.81 -1.26 -4.18 117.12 119.21 2jpo n MET 5 Ca 0.16 0.54 -0.00 0.00 -1.81 0.00 0.00 57.70 56.59 2jpo n MET 5 Cb 0.57 -0.71 -0.00 0.00 -0.71 0.00 0.00 33.22 32.37 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 0.72 -1.36 -3.90 0.03 4.76 -1.26 -5.04 118.16 112.10 2jpo n LYS 6 Ca -0.01 1.31 -0.10 0.00 -2.87 0.00 0.00 58.31 56.64 2jpo n LYS 6 Cb 0.32 -1.11 -0.10 0.00 -1.84 0.00 0.00 35.03 32.30 2jpo n LYS 6 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2jpo s ASN 7 N -0.18 0.09 0.00 4.39 2.20 -1.26 -5.06 114.94 115.12 2jpo s ASN 7 Ca -0.02 -0.32 0.28 0.00 -0.94 0.00 0.00 52.86 51.87 2jpo s ASN 7 Cb 0.00 0.19 1.16 0.00 -2.00 0.00 0.00 41.25 40.60 2jpo s ASN 7 CO 0.05 -0.38 1.82 0.00 -2.94 0.00 0.00 177.10 175.65 2jpo n LEU 8 N 1.36 0.57 -0.35 3.54 -0.00 -1.26 -4.12 117.00 116.74 2jpo n LEU 8 Ca -0.22 -0.05 0.04 0.00 -0.00 0.00 0.00 56.01 55.77 2jpo n LEU 8 Cb 0.56 -0.17 0.10 0.00 -0.00 0.00 0.00 43.42 43.92 2jpo n LEU 8 CO 0.21 0.11 0.60 -0.24 -0.00 0.00 0.00 177.39 178.07 2jpo n SER 9 N -0.88 -0.42 -0.01 1.45 2.88 -1.26 -0.22 113.62 115.16 2jpo n SER 9 Ca 0.14 1.63 -0.09 0.00 -1.33 0.00 0.00 58.87 59.23 2jpo n SER 9 Cb 0.29 -0.46 -0.03 0.00 -0.75 0.00 0.00 64.21 63.26 2jpo n SER 9 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2jpo h ASN 10 N 0.00 -0.55 0.25 -3.46 2.35 -1.92 -1.25 115.58 111.00 2jpo h ASN 10 Ca 0.42 0.10 -0.26 0.00 -0.55 0.00 0.00 56.30 56.01 2jpo h ASN 10 Cb 0.65 0.26 0.01 0.00 0.05 0.00 0.00 38.32 39.30 2jpo h ASN 10 CO -0.96 -0.22 -1.08 0.78 -1.65 0.00 0.00 177.43 174.29 2jpo h ASN 11 N -0.22 0.69 -0.22 5.81 2.35 -1.01 -1.17 115.58 121.81 2jpo h ASN 11 Ca 0.10 -0.59 0.03 0.00 -0.55 0.00 0.00 56.30 55.29 2jpo h ASN 11 Cb 0.37 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 2jpo h ASN 11 CO -0.27 1.41 0.02 0.15 -1.65 0.00 0.00 177.43 177.09 2jpo h PHE 12 N 0.26 0.04 -0.35 1.19 3.04 -0.51 -0.78 116.94 119.82 2jpo h PHE 12 Ca -0.12 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.77 2jpo h PHE 12 Cb 1.74 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 40.25 2jpo h PHE 12 CO 0.08 -0.00 -0.07 0.78 -2.02 0.00 0.00 178.31 177.09 2jpo h GLY 13 N 0.10 0.63 0.84 2.40 0.00 -1.08 -1.93 103.07 104.04 2jpo h GLY 13 Ca 0.10 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 2jpo h GLY 13 CO -0.15 0.38 -0.17 1.70 0.00 0.00 0.00 176.54 178.30 2jpo h LYS 14 N 0.54 -0.38 -0.27 4.80 3.64 -0.41 0.14 116.57 124.63 2jpo h LYS 14 Ca 0.11 0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.40 2jpo h LYS 14 Cb 0.45 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2jpo h LYS 14 CO 0.02 -0.25 -0.31 0.00 -2.27 0.00 0.00 179.45 176.63 2jpo h ALA 15 N 0.36 0.94 -0.35 5.00 0.00 -1.06 -0.86 119.26 123.29 2jpo h ALA 15 Ca -0.01 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.52 2jpo h ALA 15 Cb 0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2jpo h ALA 15 CO -0.01 0.61 0.21 1.98 0.00 0.00 0.00 179.25 182.04 2jpo h MET 16 N 0.49 0.42 0.00 0.00 4.05 -1.06 -1.48 114.93 117.34 2jpo h MET 16 Ca 0.06 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 2jpo h MET 16 Cb 0.79 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.49 2jpo h MET 16 CO 0.06 0.27 -0.06 0.22 0.23 0.00 0.00 176.91 177.64 2jpo h ASP 17 N 0.43 0.00 0.66 1.39 3.58 0.06 0.39 116.42 122.93 2jpo h ASP 17 Ca 0.13 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.35 2jpo h ASP 17 Cb -0.01 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 2jpo h ASP 17 CO -0.05 0.06 -1.06 1.56 -2.88 0.00 0.00 179.24 176.87 2jpo h GLN 18 N 0.00 0.21 -0.06 0.28 4.20 -0.80 -2.90 115.11 116.04 2jpo h GLN 18 Ca -0.00 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.36 2jpo h GLN 18 Cb 0.29 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2jpo h GLN 18 CO 0.01 1.09 -0.16 0.00 -0.67 0.00 0.00 178.83 179.10 2jpo n LYS 20 N -4.60 0.02 -0.04 0.00 4.81 0.11 -0.71 118.16 117.75 2jpo n LYS 20 Ca -0.08 0.34 -0.04 0.00 -0.87 0.00 0.00 58.31 57.65 2jpo n LYS 20 Cb 0.39 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 33.93 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 -1.36 1.19 0.26 3.14 2.03 -1.05 -3.24 116.55 117.52 2jpo n ASP 21 Ca 0.01 0.19 0.09 0.00 0.52 0.00 0.00 54.79 55.60 2jpo n ASP 21 Cb 0.02 -0.55 0.67 0.00 -0.72 0.00 0.00 41.12 40.55 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 -0.50 0.00 0.00 -0.67 5.08 -0.42 -1.33 114.58 116.75 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 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2jpo h GLU 22 CO 0.00 0.04 -0.75 1.28 -1.00 0.00 0.00 179.01 178.59 2jpo n LEU 23 N -4.30 0.43 -3.79 1.33 4.77 0.11 -5.02 117.00 110.52 2jpo n LEU 23 Ca -0.03 -0.40 -0.25 0.00 -0.03 0.00 0.00 56.01 55.31 2jpo n LEU 23 Cb 0.13 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2jpo n LEU 23 CO 0.33 0.11 -0.02 -0.24 -1.33 0.00 0.00 177.39 176.23 2jpo n SER 24 N -1.40 -2.29 -4.74 -1.43 2.88 -0.50 -4.92 113.62 101.21 2jpo n SER 24 Ca 0.01 -0.82 -0.41 0.00 -1.33 0.00 0.00 58.87 56.32 2jpo n SER 24 Cb 0.21 -3.91 -0.02 0.00 -0.75 0.00 0.00 64.21 59.73 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 -6.90 4.38 0.76 2.46 1.43 -1.23 -4.96 118.68 114.62 2jpo s LEU 25 Ca 0.22 2.70 -0.11 0.00 -1.03 0.00 0.00 54.13 55.91 2jpo s LEU 25 Cb -0.11 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.53 2jpo s LEU 25 CO 0.82 -0.75 1.08 -2.16 0.23 0.00 0.00 176.35 175.58 2jpo s PRO 26 N -0.23 2.39 0.54 1.29 0.04 -1.26 -4.77 135.00 133.01 2jpo s PRO 26 Ca 0.61 0.75 0.21 0.00 0.04 0.00 0.00 61.00 62.60 2jpo s PRO 26 Cb -0.43 -1.94 1.44 0.00 0.04 0.00 0.00 34.50 33.60 2jpo s PRO 26 CO 0.43 -1.43 2.17 0.22 0.04 0.00 0.00 177.00 178.43 2jpo h ASP 27 N -0.95 0.00 -0.08 6.66 3.58 -1.98 0.15 116.42 123.81 2jpo h ASP 27 Ca -0.46 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.98 2jpo h ASP 27 Cb 1.25 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.29 2jpo h ASP 27 CO 0.58 0.00 0.00 -1.28 -2.88 0.00 0.00 179.24 175.67 2jpo h SER 28 N 0.00 0.13 -0.19 2.28 0.87 -1.98 0.14 113.55 114.80 2jpo h SER 28 Ca 0.02 -0.30 -0.18 0.00 -1.23 0.00 0.00 61.79 60.09 2jpo h SER 28 Cb 0.07 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2jpo h SER 28 CO -0.00 0.40 -0.57 0.58 -0.53 0.00 0.00 176.83 176.72 2jpo h VAL 29 N -0.14 1.29 -0.21 2.23 2.07 -1.18 0.12 116.25 120.43 2jpo h VAL 29 Ca 0.02 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 65.76 2jpo h VAL 29 Cb 0.33 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 2jpo h VAL 29 CO 0.00 0.57 0.09 0.58 0.02 0.00 0.00 177.57 178.83 2jpo h VAL 30 N 0.60 1.16 0.27 2.57 2.07 -0.86 0.63 116.25 122.69 2jpo h VAL 30 Ca 0.01 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 2jpo h VAL 30 Cb 1.16 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 2jpo h VAL 30 CO 0.12 0.15 -0.21 0.00 0.02 0.00 0.00 177.57 177.65 2jpo h ALA 31 N 0.94 -0.48 -0.88 1.67 0.00 -0.66 -1.89 119.26 117.97 2jpo h ALA 31 Ca 0.07 -0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.08 2jpo h ALA 31 Cb 0.16 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 18.13 2jpo h ALA 31 CO -0.01 -0.79 0.44 -0.44 0.00 0.00 0.00 179.25 178.45 2jpo h ASP 32 N -0.49 0.47 0.21 0.00 3.32 -0.61 0.10 116.42 119.42 2jpo h ASP 32 Ca -0.02 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2jpo h ASP 32 Cb 0.44 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2jpo h ASP 32 CO -0.01 0.13 -0.10 0.25 -1.72 0.00 0.00 179.24 177.79 2jpo h LEU 33 N 0.54 -0.24 -1.08 1.55 5.85 -0.38 -0.77 115.31 120.79 2jpo h LEU 33 Ca 0.51 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.17 2jpo h LEU 33 Cb 0.85 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 2jpo h LEU 33 CO -0.43 -0.09 0.50 1.88 -0.34 0.00 0.00 178.44 179.96 2jpo h TYR 34 N -0.38 1.10 0.00 1.25 0.05 -0.62 -2.43 116.97 115.94 2jpo h TYR 34 Ca -0.03 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 2jpo h TYR 34 Cb 0.29 -0.36 -0.00 0.00 1.01 0.00 0.00 36.73 37.66 2jpo h TYR 34 CO -0.04 0.73 -0.10 -0.91 -1.05 0.00 0.00 178.16 176.80 2jpo h ASN 35 N 1.16 0.00 -0.05 3.88 2.35 -0.34 -2.86 115.58 119.72 2jpo h ASN 35 Ca 0.30 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.04 2jpo h ASN 35 Cb -0.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2jpo h ASN 35 CO -0.06 0.10 0.01 0.15 -1.65 0.00 0.00 177.43 175.98 2jpo h PHE 36 N 0.00 0.13 -0.49 1.19 3.57 -0.63 -1.67 116.94 119.03 2jpo h PHE 36 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2jpo h PHE 36 Cb 0.26 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.96 2jpo h PHE 36 CO 0.00 0.13 0.00 0.91 -2.23 0.00 0.00 178.31 177.12 2jpo n TRP 37 N -4.47 0.65 0.00 0.41 7.02 -1.08 -4.61 117.44 115.37 2jpo n TRP 37 Ca -0.02 -0.37 0.00 0.00 -1.02 0.00 0.00 57.50 56.10 2jpo n TRP 37 Cb 0.13 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.01 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 1.37 2.52 0.34 -0.99 4.81 -0.63 -5.00 118.16 120.57 2jpo n LYS 38 Ca 0.19 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.50 2jpo n LYS 38 Cb 0.57 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.56 2jpo n LYS 38 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2jpo h ASP 39 N 0.00 -0.74 -0.86 3.14 3.58 -1.93 -3.45 116.42 116.16 2jpo h ASP 39 Ca 0.00 0.03 0.16 0.00 0.42 0.00 0.00 57.03 57.64 2jpo h ASP 39 Cb 0.00 0.19 -0.22 0.00 1.72 0.00 0.00 39.33 41.03 2jpo h ASP 39 CO 0.00 -0.52 0.01 -0.62 -2.88 0.00 0.00 179.24 175.23 2jpo s ASP 40 N -3.27 -0.83 0.13 2.28 2.15 -1.26 -5.15 116.67 110.71 2jpo s ASP 40 Ca -0.13 0.71 -0.16 0.00 0.43 0.00 0.00 52.55 53.40 2jpo s ASP 40 Cb 0.01 1.78 0.04 0.00 -0.30 0.00 0.00 42.92 44.45 2jpo s ASP 40 CO 0.38 -0.16 0.42 -0.47 -0.17 0.00 0.00 175.17 175.17 2jpo s TYR 41 N 2.80 -0.21 -0.03 -5.34 5.04 -1.26 -5.00 117.35 113.35 2jpo s TYR 41 Ca 0.05 -0.11 0.04 0.00 -2.44 0.00 0.00 57.07 54.61 2jpo s TYR 41 Cb -0.11 0.28 -0.00 0.00 0.35 0.00 0.00 41.96 42.48 2jpo s TYR 41 CO -0.16 -0.73 -0.13 0.14 -1.34 0.00 0.00 175.55 173.32 2jpo s VAL 42 N -3.81 1.11 0.28 3.14 -7.23 -1.26 -4.84 120.40 107.80 2jpo s VAL 42 Ca 0.04 -0.55 -0.29 0.00 -1.81 0.00 0.00 61.98 59.36 2jpo s VAL 42 Cb 0.01 -0.96 -0.10 0.00 0.56 0.00 0.00 36.38 35.90 2jpo s VAL 42 CO -0.11 0.33 1.20 -0.04 -0.31 0.00 0.00 175.10 176.16 2jpo s MET 43 N 0.04 4.51 0.00 4.82 -1.94 -1.26 -4.92 119.30 120.55 2jpo s MET 43 Ca -0.02 1.97 0.00 0.00 -1.71 0.00 0.00 55.69 55.93 2jpo s MET 43 Cb -0.09 -3.15 0.00 0.00 2.01 0.00 0.00 34.83 33.59 2jpo s MET 43 CO 0.01 0.01 0.00 0.25 -0.01 0.00 0.00 175.02 175.28 2jpo n THR 44 N 1.29 0.00 -2.18 2.05 -2.24 -1.26 -5.01 114.28 106.93 2jpo n THR 44 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2jpo n THR 44 Cb 0.44 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.31 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 -2.26 6.83 0.41 3.42 -1.08 -1.26 -4.92 116.67 117.81 2jpo s ASP 45 Ca 0.00 2.23 0.12 0.00 -0.52 0.00 0.00 52.55 54.38 2jpo s ASP 45 Cb 0.00 -2.57 0.95 0.00 -1.46 0.00 0.00 42.92 39.84 2jpo s ASP 45 CO 0.00 -0.69 1.95 0.08 0.52 0.00 0.00 175.17 177.03 2jpo h ARG 46 N 7.39 0.50 0.00 4.34 0.11 -1.96 -2.13 114.38 122.63 2jpo h ARG 46 Ca -0.40 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.64 2jpo h ARG 46 Cb 1.20 -0.11 -0.00 0.00 1.11 0.00 0.00 29.97 32.16 2jpo h ARG 46 CO 0.88 0.33 -0.05 -0.07 0.10 0.00 0.00 179.97 181.17 2jpo h LEU 47 N 0.51 0.00 -0.94 0.08 3.38 -1.91 -0.93 115.31 115.50 2jpo h LEU 47 Ca 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 2jpo h LEU 47 Cb 0.57 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 2jpo h LEU 47 CO -0.11 0.05 0.50 0.00 0.09 0.00 0.00 178.44 178.97 2jpo h ALA 48 N 1.95 1.19 -0.52 1.53 0.00 -1.72 -0.22 119.26 121.48 2jpo h ALA 48 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2jpo h ALA 48 Cb 0.09 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2jpo h ALA 48 CO 0.01 0.66 0.24 0.78 0.00 0.00 0.00 179.25 180.94 2jpo h GLY 49 N 1.26 0.79 0.92 0.00 0.00 -1.31 -0.94 103.07 103.79 2jpo h GLY 49 Ca 0.32 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 2jpo h GLY 49 CO -0.05 0.35 0.11 0.00 0.00 0.00 0.00 176.54 176.94 2jpo h ALA 51 N 0.95 0.99 0.58 0.00 0.00 -0.38 -0.48 119.26 120.92 2jpo h ALA 51 Ca 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2jpo h ALA 51 Cb 0.25 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jpo h ALA 51 CO -0.00 0.30 -0.29 0.82 0.00 0.00 0.00 179.25 180.07 2jpo h ILE 52 N 0.95 0.40 0.00 0.00 2.04 -1.01 -0.55 117.51 119.34 2jpo h ILE 52 Ca 0.30 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.15 2jpo h ILE 52 Cb -0.01 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2jpo h ILE 52 CO -0.10 0.00 -0.06 -0.55 0.00 0.00 0.00 178.15 177.44 2jpo h ASN 53 N -0.80 0.00 -0.18 1.72 7.08 -0.95 -0.43 115.58 122.02 2jpo h ASN 53 Ca -0.08 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.12 2jpo h ASN 53 Cb 0.62 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.86 2jpo h ASN 53 CO 0.12 0.06 0.03 0.00 -2.08 0.00 0.00 177.43 175.56 2jpo h LEU 55 N 0.08 0.78 -0.95 0.00 3.38 -0.09 -2.56 115.31 115.95 2jpo h LEU 55 Ca 0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2jpo h LEU 55 Cb 0.30 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2jpo h LEU 55 CO 0.00 0.54 -0.08 0.00 0.09 0.00 0.00 178.44 179.00 2jpo h ALA 56 N 1.57 0.99 -0.00 1.53 0.00 -0.72 -1.09 119.26 121.53 2jpo h ALA 56 Ca 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2jpo h ALA 56 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2jpo h ALA 56 CO -0.08 0.10 -0.43 -2.37 0.00 0.00 0.00 179.25 176.46 2jpo n THR 57 N -3.17 0.00 -1.59 0.00 5.66 -0.75 -4.33 114.28 110.11 2jpo n THR 57 Ca 0.01 -0.04 -0.22 0.00 -3.05 0.00 0.00 64.05 60.75 2jpo n THR 57 Cb 0.41 0.30 0.10 0.00 -1.55 0.00 0.00 70.33 69.60 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 -1.24 2.73 0.20 1.09 5.02 -0.42 -4.66 118.16 120.87 2jpo n LYS 58 Ca 0.08 -3.54 0.08 0.00 -2.02 0.00 0.00 58.31 52.91 2jpo n LYS 58 Cb 0.34 -2.15 0.61 0.00 -0.02 0.00 0.00 35.03 33.81 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 1.71 0.08 -0.55 -0.35 3.38 -1.74 0.22 115.31 118.07 2jpo h LEU 59 Ca 0.43 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 2jpo h LEU 59 Cb 1.44 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2jpo h LEU 59 CO 0.95 0.06 0.00 0.44 0.09 0.00 0.00 178.44 179.98 2jpo h ASP 60 N 0.10 0.00 0.00 -0.43 3.32 -1.83 -1.33 116.42 116.25 2jpo h ASP 60 Ca 0.04 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.66 2jpo h ASP 60 Cb 0.06 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.54 2jpo h ASP 60 CO -0.01 0.00 -2.46 0.52 -1.72 0.00 0.00 179.24 175.57 2jpo n VAL 61 N -2.58 1.52 0.02 -1.35 0.31 -0.42 -3.45 118.33 112.39 2jpo n VAL 61 Ca 0.03 -0.43 -0.00 0.00 -0.01 0.00 0.00 64.34 63.93 2jpo n VAL 61 Cb 0.35 -1.74 0.30 0.00 -0.91 0.00 0.00 33.84 31.84 2jpo n VAL 61 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 2jpo h VAL 62 N -0.67 1.20 -2.30 2.52 3.04 -0.65 -3.36 116.25 116.03 2jpo h VAL 62 Ca -0.65 -0.84 -0.55 0.00 -1.01 0.00 0.00 66.70 63.65 2jpo h VAL 62 Cb 1.70 1.03 -0.37 0.00 -2.01 0.00 0.00 31.29 31.65 2jpo h VAL 62 CO -0.30 0.28 -0.91 -0.62 -1.01 0.00 0.00 177.57 175.01 2jpo s ASP 63 N -6.77 1.54 0.11 3.17 2.15 -0.50 -3.08 116.67 113.28 2jpo s ASP 63 Ca -0.07 -2.73 0.19 0.00 0.43 0.00 0.00 52.55 50.37 2jpo s ASP 63 Cb 0.15 -0.23 0.80 0.00 -0.30 0.00 0.00 42.92 43.34 2jpo s ASP 63 CO 0.76 -0.20 1.59 -0.81 -0.17 0.00 0.00 175.17 176.35 2jpo n PRO 64 N 3.17 0.08 0.14 4.34 -0.04 -1.22 -2.50 135.00 138.97 2jpo n PRO 64 Ca 0.25 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 64.12 2jpo n PRO 64 Cb 0.46 -1.65 0.51 0.00 -0.04 0.00 0.00 33.50 32.78 2jpo n PRO 64 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2jpo n ASP 65 N -1.81 0.63 0.00 3.54 8.00 -1.26 -4.87 116.55 120.78 2jpo n ASP 65 Ca 0.03 0.69 0.00 0.00 0.71 0.00 0.00 54.79 56.22 2jpo n ASP 65 Cb 0.21 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 2jpo n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jpo n GLY 66 N -0.36 1.09 0.14 0.44 0.00 -1.04 -4.99 105.19 100.47 2jpo n GLY 66 Ca 0.01 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 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 1.00 1.96 -4.68 1.61 3.02 -1.26 -4.91 115.26 112.00 2jpo n ASN 67 Ca 0.00 0.34 -0.42 0.00 -0.03 0.00 0.00 54.58 54.47 2jpo n ASN 67 Cb 0.20 -0.82 -0.03 0.00 -0.61 0.00 0.00 39.78 38.52 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 -7.53 4.32 0.20 3.41 2.96 -1.26 -3.85 118.68 116.92 2jpo s LEU 68 Ca -0.39 2.20 0.00 0.00 -0.22 0.00 0.00 54.13 55.73 2jpo s LEU 68 Cb 0.15 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.24 2jpo s LEU 68 CO 0.49 -0.82 0.08 -1.00 -1.32 0.00 0.00 176.35 173.78 2jpo s HIS 69 N 3.02 1.24 0.41 5.38 3.76 -0.52 -4.78 115.29 123.80 2jpo s HIS 69 Ca 0.68 -1.22 -0.26 0.00 -0.15 0.00 0.00 55.06 54.12 2jpo s HIS 69 Cb -0.33 -0.68 -0.10 0.00 1.11 0.00 0.00 32.58 32.58 2jpo s HIS 69 CO 0.28 -0.43 1.27 -2.39 -0.85 0.00 0.00 174.74 172.62 2jpo n HIS 70 N -0.29 2.15 -0.74 1.40 1.44 -1.26 -1.14 115.22 116.77 2jpo n HIS 70 Ca -0.02 0.51 0.00 0.00 -2.01 0.00 0.00 57.72 56.20 2jpo n HIS 70 Cb 0.65 -2.38 0.00 0.00 0.12 0.00 0.00 29.99 28.38 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 0.81 0.00 2.38 -1.39 0.00 0.62 -4.85 105.19 102.76 2jpo n GLY 71 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.11 -0.69 -0.19 1.61 5.15 -0.29 -4.87 115.26 115.88 2jpo n ASN 72 Ca 0.00 -2.55 0.14 0.00 -0.60 0.00 0.00 54.58 51.56 2jpo n ASN 72 Cb 0.35 -0.26 0.70 0.00 -0.53 0.00 0.00 39.78 40.05 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 2.39 2.63 0.13 5.20 0.00 -1.26 -1.43 120.51 128.17 2jpo n ALA 73 Ca 0.25 -0.29 -0.09 0.00 0.00 0.00 0.00 53.44 53.31 2jpo n ALA 73 Cb 0.51 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 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 0.87 -0.39 -0.75 0.00 1.57 -1.89 0.34 116.57 116.32 2jpo h LYS 74 Ca 0.00 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.88 2jpo h LYS 74 Cb 0.19 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.52 2jpo h LYS 74 CO 0.00 -0.10 0.42 0.22 -0.57 0.00 0.00 179.45 179.41 2jpo h ASP 75 N -1.01 0.60 0.24 0.86 1.82 -1.82 0.56 116.42 117.68 2jpo h ASP 75 Ca -0.04 0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 2jpo h ASP 75 Cb 0.46 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.39 2jpo h ASP 75 CO 0.07 0.37 -0.16 0.15 -1.61 0.00 0.00 179.24 178.06 2jpo h PHE 76 N 0.73 -0.42 -0.51 0.28 3.57 -1.65 -2.01 116.94 116.95 2jpo h PHE 76 Ca 0.35 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.89 2jpo h PHE 76 Cb 0.27 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 2jpo h PHE 76 CO -0.07 -0.25 0.25 0.00 -2.23 0.00 0.00 178.31 176.01 2jpo h ALA 77 N 0.35 0.65 0.03 2.41 0.00 0.32 -2.09 119.26 120.93 2jpo h ALA 77 Ca -0.02 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2jpo h ALA 77 Cb 0.34 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2jpo h ALA 77 CO 0.01 -0.10 -0.25 0.52 0.00 0.00 0.00 179.25 179.43 2jpo h MET 78 N 0.49 -0.39 0.00 0.00 2.86 -0.70 0.49 114.93 117.68 2jpo h MET 78 Ca 0.23 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2jpo h MET 78 Cb 0.15 0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2jpo h MET 78 CO -0.17 -0.26 0.00 1.63 1.06 0.00 0.00 176.91 179.17 2jpo n LYS 79 N -5.37 0.56 0.00 1.72 4.76 -0.77 -1.42 118.16 117.64 2jpo n LYS 79 Ca -0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 2jpo n LYS 79 Cb 0.28 -1.29 -0.00 0.00 -1.84 0.00 0.00 35.03 32.18 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 -0.79 0.00 0.00 2.13 8.25 -0.62 -5.02 115.22 119.17 2jpo n HIS 80 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2jpo n HIS 80 Cb 0.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 0.64 -0.04 3.95 -1.41 0.00 -0.45 -4.96 105.19 102.92 2jpo n GLY 81 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.62 2.53 0.41 4.61 0.00 0.04 -4.96 121.76 123.75 2jpo s ALA 82 Ca 0.00 -1.39 0.04 0.00 0.00 0.00 0.00 51.96 50.61 2jpo s ALA 82 Cb 0.00 -2.58 -0.02 0.00 0.00 0.00 0.00 23.12 20.52 2jpo s ALA 82 CO 0.00 -2.31 0.13 -0.51 0.00 0.00 0.00 175.76 173.07 2jpo s ASP 83 N -4.90 2.80 0.37 0.00 1.01 -1.26 -4.42 116.67 110.27 2jpo s ASP 83 Ca 0.74 -1.67 0.12 0.00 0.71 0.00 0.00 52.55 52.45 2jpo s ASP 83 Cb -0.03 0.50 0.92 0.00 1.01 0.00 0.00 42.92 45.31 2jpo s ASP 83 CO 0.52 -0.93 1.82 -0.33 0.21 0.00 0.00 175.17 176.46 2jpo h GLU 84 N 1.79 0.56 0.54 8.23 5.08 -1.96 0.11 114.58 128.93 2jpo h GLU 84 Ca -0.35 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 57.95 2jpo h GLU 84 Cb 1.27 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 30.40 2jpo h GLU 84 CO 0.57 0.37 -0.26 1.15 -1.00 0.00 0.00 179.01 179.85 2jpo h THR 85 N 0.58 0.00 -0.87 1.13 2.02 -1.98 0.16 112.91 113.96 2jpo h THR 85 Ca 0.51 -0.05 0.06 0.00 0.77 0.00 0.00 66.41 67.70 2jpo h THR 85 Cb 1.03 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 2jpo h THR 85 CO -0.26 0.00 0.54 0.24 0.37 0.00 0.00 175.52 176.41 2jpo h MET 86 N -0.78 0.95 -0.17 6.66 2.86 -1.88 0.15 114.93 122.73 2jpo h MET 86 Ca -0.07 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.37 2jpo h MET 86 Cb 0.56 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 2jpo h MET 86 CO 0.12 0.63 -0.48 0.00 1.06 0.00 0.00 176.91 178.24 2jpo h ALA 87 N 1.41 0.85 -0.37 6.32 0.00 -0.81 -2.10 119.26 124.56 2jpo h ALA 87 Ca 0.38 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2jpo h ALA 87 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2jpo h ALA 87 CO -0.17 0.66 -0.14 0.37 0.00 0.00 0.00 179.25 179.97 2jpo h GLN 88 N 0.35 0.74 0.32 0.00 5.75 0.13 -2.55 115.11 119.85 2jpo h GLN 88 Ca 0.02 -0.31 0.00 0.00 -0.15 0.00 0.00 58.65 58.21 2jpo h GLN 88 Cb 0.98 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.47 2jpo h GLN 88 CO 0.09 0.92 -0.45 1.96 -2.65 0.00 0.00 178.83 178.70 2jpo h GLN 89 N 0.54 -0.79 0.00 1.69 1.08 -0.44 -0.98 115.11 116.21 2jpo h GLN 89 Ca 0.09 0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.29 2jpo h GLN 89 Cb 0.67 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.27 2jpo h GLN 89 CO 0.05 -0.52 -0.24 -0.07 -0.95 0.00 0.00 178.83 177.09 2jpo h LEU 90 N -0.82 0.00 -0.90 1.46 3.38 -1.48 -0.60 115.31 116.35 2jpo h LEU 90 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2jpo h LEU 90 Cb 0.76 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 2jpo h LEU 90 CO -0.14 0.24 0.39 0.58 0.09 0.00 0.00 178.44 179.61 2jpo h VAL 91 N 0.00 1.25 -0.13 1.22 2.07 -0.99 -2.05 116.25 117.63 2jpo h VAL 91 Ca -0.00 -0.72 -0.09 0.00 0.82 0.00 0.00 66.70 66.71 2jpo h VAL 91 Cb 0.52 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2jpo h VAL 91 CO 0.03 0.31 -0.32 -0.78 0.02 0.00 0.00 177.57 176.83 2jpo h ASP 92 N 1.17 0.26 0.21 0.57 3.58 0.23 0.10 116.42 122.55 2jpo h ASP 92 Ca 0.28 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 2jpo h ASP 92 Cb 0.12 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2jpo h ASP 92 CO -0.04 0.57 -0.10 0.40 -2.88 0.00 0.00 179.24 177.20 2jpo h ILE 93 N 0.23 0.86 -0.04 2.25 1.08 -1.06 0.10 117.51 120.93 2jpo h ILE 93 Ca 0.03 -0.35 -0.23 0.00 -0.39 0.00 0.00 64.86 63.93 2jpo h ILE 93 Cb 0.68 1.06 0.02 0.00 -3.07 0.00 0.00 36.82 35.51 2jpo h ILE 93 CO 0.05 0.08 -0.88 -0.29 -0.69 0.00 0.00 178.15 176.42 2jpo h ILE 94 N -0.45 1.31 0.00 -0.67 6.09 -1.19 -0.17 117.51 122.42 2jpo h ILE 94 Ca -0.03 -2.13 0.00 0.00 -1.37 0.00 0.00 64.86 61.33 2jpo h ILE 94 Cb 0.34 2.33 0.00 0.00 0.47 0.00 0.00 36.82 39.97 2jpo h ILE 94 CO 0.05 0.66 0.00 0.45 -3.07 0.00 0.00 178.15 176.23 2jpo h HIS 95 N 0.31 0.00 0.00 2.19 3.86 -0.85 0.13 115.15 120.79 2jpo h HIS 95 Ca -0.10 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.06 2jpo h HIS 95 Cb 1.54 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.00 2jpo h HIS 95 CO 0.11 0.00 -0.47 0.78 0.86 0.00 0.00 177.93 179.21 2jpo h GLY 96 N 0.83 0.00 1.84 2.45 0.00 -0.56 -3.26 103.07 104.37 2jpo h GLY 96 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 2jpo h GLY 96 CO 0.00 0.00 0.06 0.00 0.00 0.00 0.00 176.54 176.60 2jpo h GLU 98 N 0.00 -0.03 0.66 0.00 4.39 -0.93 -2.04 114.58 116.63 2jpo h GLU 98 Ca 0.03 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 2jpo h GLU 98 Cb 0.15 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2jpo h GLU 98 CO -0.00 0.30 -0.32 0.87 -1.16 0.00 0.00 179.01 178.71 2jpo h LYS 99 N -0.38 -0.86 -0.32 2.33 6.56 -1.29 -2.81 116.57 119.80 2jpo h LYS 99 Ca -0.00 0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 2jpo h LYS 99 Cb 0.35 0.19 0.00 0.00 -0.57 0.00 0.00 32.23 32.21 2jpo h LYS 99 CO 0.01 -0.55 0.00 0.43 -2.06 0.00 0.00 179.45 177.28 2jpo n SER 100 N -5.38 0.32 -4.76 0.86 7.64 0.37 -4.88 113.62 107.80 2jpo n SER 100 Ca -0.12 -1.08 -0.39 0.00 1.01 0.00 0.00 58.87 58.29 2jpo n SER 100 Cb 0.36 -0.16 0.03 0.00 -1.01 0.00 0.00 64.21 63.43 2jpo n SER 100 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jpo n ALA 101 N -0.06 1.85 -1.35 -0.43 0.00 -0.77 -4.93 120.51 114.82 2jpo n ALA 101 Ca 0.00 0.19 -0.30 0.00 0.00 0.00 0.00 53.44 53.33 2jpo n ALA 101 Cb 0.08 -2.38 0.11 0.00 0.00 0.00 0.00 19.45 17.26 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 -2.69 1.68 -1.19 0.00 0.04 -1.26 -4.91 135.00 126.68 2jpo s PRO 102 Ca 0.67 0.78 -0.20 0.00 0.04 0.00 0.00 61.00 62.29 2jpo s PRO 102 Cb -0.43 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.28 2jpo s PRO 102 CO 0.53 -1.94 1.71 -1.25 0.04 0.00 0.00 177.00 176.09 2jpo s PRO 103 N -5.02 3.57 -0.37 0.56 0.04 -1.26 -4.64 135.00 127.88 2jpo s PRO 103 Ca 0.62 -1.54 0.03 0.00 0.04 0.00 0.00 61.00 60.16 2jpo s PRO 103 Cb -0.16 -5.42 0.16 0.00 0.04 0.00 0.00 34.50 29.11 2jpo s PRO 103 CO 0.56 -2.57 0.40 1.21 0.04 0.00 0.00 177.00 176.63 2jpo s ASN 104 N 5.00 0.89 0.21 6.66 2.47 -1.26 -5.15 114.94 123.77 2jpo s ASN 104 Ca 0.55 -1.44 -0.12 0.00 0.42 0.00 0.00 52.86 52.27 2jpo s ASN 104 Cb 0.02 0.71 -0.07 0.00 -1.45 0.00 0.00 41.25 40.45 2jpo s ASN 104 CO 0.04 -0.26 0.58 -1.81 -3.72 0.00 0.00 177.10 171.93 2jpo s ASP 105 N 1.53 6.73 0.00 -4.21 1.01 -1.26 -3.87 116.67 116.60 2jpo s ASP 105 Ca 0.16 1.04 0.00 0.00 0.71 0.00 0.00 52.55 54.46 2jpo s ASP 105 Cb -0.14 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.52 2jpo s ASP 105 CO -0.05 -0.03 0.00 -0.67 0.21 0.00 0.00 175.17 174.63 2jpo n ASP 106 N 0.18 0.00 -0.01 0.27 2.03 -1.26 -4.72 116.55 113.04 2jpo n ASP 106 Ca -0.01 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.40 2jpo n ASP 106 Cb 0.52 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.77 2jpo n ASP 106 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2jpo n LYS 107 N -0.05 0.61 -1.46 -0.67 5.02 -1.26 -4.34 118.16 116.01 2jpo n LYS 107 Ca 0.00 -0.17 0.01 0.00 -2.02 0.00 0.00 58.31 56.13 2jpo n LYS 107 Cb 0.00 -1.48 0.08 0.00 -0.02 0.00 0.00 35.03 33.61 2jpo n LYS 107 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jpo n MET 109 N -0.29 0.00 -0.31 0.00 2.81 -1.26 -4.43 117.12 113.64 2jpo n MET 109 Ca 0.14 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 56.18 2jpo n MET 109 Cb 0.94 0.00 0.34 0.00 -0.71 0.00 0.00 33.22 33.79 2jpo n MET 109 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2jpo h LYS 110 N 0.00 0.36 -0.97 0.03 1.63 -1.76 0.17 116.57 116.02 2jpo h LYS 110 Ca 0.00 -0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.85 2jpo h LYS 110 Cb 0.00 -0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 31.48 2jpo h LYS 110 CO 0.00 0.24 0.62 1.15 -3.45 0.00 0.00 179.45 178.01 2jpo h THR 111 N 0.37 1.04 -0.18 1.00 2.02 -1.82 -0.01 112.91 115.33 2jpo h THR 111 Ca 0.59 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 2jpo h THR 111 Cb 1.19 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2jpo h THR 111 CO -0.56 0.20 0.04 0.40 0.37 0.00 0.00 175.52 175.97 2jpo h ILE 112 N 1.10 1.21 -0.78 3.11 2.04 -1.02 -0.78 117.51 122.39 2jpo h ILE 112 Ca 0.43 -0.67 0.03 0.00 1.00 0.00 0.00 64.86 65.65 2jpo h ILE 112 Cb 0.23 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 2jpo h ILE 112 CO -0.19 0.20 0.50 0.44 0.00 0.00 0.00 178.15 179.10 2jpo h ASP 113 N 0.09 0.83 -0.13 1.72 3.32 -0.63 0.87 116.42 122.50 2jpo h ASP 113 Ca 0.05 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 2jpo h ASP 113 Cb 0.28 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 2jpo h ASP 113 CO 0.00 0.58 -0.03 0.58 -1.72 0.00 0.00 179.24 178.65 2jpo h VAL 114 N 0.98 1.29 -0.18 -1.35 2.07 -1.07 -2.58 116.25 115.42 2jpo h VAL 114 Ca 0.30 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 2jpo h VAL 114 Cb -0.02 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2jpo h VAL 114 CO -0.10 0.28 0.10 0.00 0.02 0.00 0.00 177.57 177.87 2jpo h ALA 115 N 0.69 0.23 0.00 1.67 0.00 -0.25 0.72 119.26 122.33 2jpo h ALA 115 Ca 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2jpo h ALA 115 Cb 0.45 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2jpo h ALA 115 CO 0.01 -0.24 -0.16 0.00 0.00 0.00 0.00 179.25 178.86 2jpo h MET 116 N 0.18 0.00 -0.07 0.00 -0.00 -0.97 -1.45 114.93 112.62 2jpo h MET 116 Ca 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.75 2jpo h MET 116 Cb 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.67 2jpo h MET 116 CO -0.01 0.16 -0.01 0.00 -0.00 0.00 0.00 176.91 177.05 2jpo h PHE 118 N -0.18 -1.03 -0.06 0.00 3.04 0.21 0.17 116.94 119.09 2jpo h PHE 118 Ca 0.02 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 2jpo h PHE 118 Cb 0.38 0.46 -0.00 0.00 2.56 0.00 0.00 35.95 39.34 2jpo h PHE 118 CO 0.04 -0.45 -0.00 -0.22 -2.02 0.00 0.00 178.31 175.66 2jpo h LYS 119 N -0.50 0.08 -0.28 1.11 3.64 -1.60 -0.33 116.57 118.69 2jpo h LYS 119 Ca 0.06 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 2jpo h LYS 119 Cb 0.60 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 2jpo h LYS 119 CO -0.31 0.10 -0.06 -0.22 -2.27 0.00 0.00 179.45 176.69 2jpo h LYS 120 N 0.08 0.53 0.00 1.90 3.11 -0.85 -2.87 116.57 118.47 2jpo h LYS 120 Ca 0.02 -0.20 0.00 0.00 -2.81 0.00 0.00 60.65 57.66 2jpo h LYS 120 Cb 0.07 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.26 2jpo h LYS 120 CO 0.00 0.73 0.00 0.39 -2.81 0.00 0.00 179.45 177.76 2jpo n GLU 121 N -4.53 0.15 0.29 1.90 -0.58 0.38 -1.48 120.64 116.77 2jpo n GLU 121 Ca -0.03 0.41 0.17 0.00 -0.42 0.00 0.00 57.16 57.28 2jpo n GLU 121 Cb 0.30 -1.81 0.83 0.00 -0.57 0.00 0.00 31.44 30.20 2jpo n GLU 121 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2jpo h ILE 122 N 0.00 0.22 0.00 -3.67 2.04 -0.95 -1.52 117.51 113.63 2jpo h ILE 122 Ca 0.00 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.44 2jpo h ILE 122 Cb 0.31 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2jpo h ILE 122 CO 0.00 0.05 0.00 1.41 0.00 0.00 0.00 178.15 179.61 2jpo n HIS 123 N -3.29 0.00 0.00 1.37 8.25 -0.55 -1.09 115.22 119.92 2jpo n HIS 123 Ca -0.01 -0.38 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 2jpo n HIS 123 Cb 0.23 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.01 2jpo n HIS 123 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2jpo n LYS 124 N 1.71 2.88 -4.13 -0.41 5.02 -0.57 -5.09 118.16 117.57 2jpo n LYS 124 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 2jpo n LYS 124 Cb 0.20 -0.68 -0.05 0.00 -0.02 0.00 0.00 35.03 34.48 2jpo n LYS 124 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jpo s LEU 125 N -1.59 3.70 -0.30 -0.35 1.43 -0.25 -5.03 118.68 116.30 2jpo s LEU 125 Ca 0.00 -0.26 0.08 0.00 -1.03 0.00 0.00 54.13 52.92 2jpo s LEU 125 Cb 0.00 -2.27 0.46 0.00 0.03 0.00 0.00 46.19 44.41 2jpo s LEU 125 CO 0.00 0.02 1.34 0.59 0.23 0.00 0.00 176.35 178.53 2jpo n ASN 126 N -0.72 3.48 -2.48 2.29 5.03 -1.26 -4.98 115.26 116.62 2jpo n ASN 126 Ca -0.08 -3.82 -0.12 0.00 0.87 0.00 0.00 54.58 51.43 2jpo n ASN 126 Cb 0.56 -0.53 -0.04 0.00 -1.02 0.00 0.00 39.78 38.75 2jpo n ASN 126 CO 0.00 0.00 0.00 -2.67 -1.83 0.00 0.00 177.26 172.76 2jpo n TRP 127 N -0.96 -0.73 -3.75 3.10 4.27 -1.26 -5.16 117.44 112.95 2jpo n TRP 127 Ca 0.35 -1.83 -0.27 0.00 -3.89 0.00 0.00 57.50 51.86 2jpo n TRP 127 Cb 0.88 0.26 -0.17 0.00 -1.36 0.00 0.00 31.31 30.92 2jpo n TRP 127 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 2jpo s VAL 128 N -2.86 0.51 0.75 -1.67 0.11 -1.26 -5.06 120.40 110.92 2jpo s VAL 128 Ca 0.25 -0.43 -0.13 0.00 -2.93 0.00 0.00 61.98 58.75 2jpo s VAL 128 Cb 0.01 -0.94 0.05 0.00 -1.53 0.00 0.00 36.38 33.96 2jpo s VAL 128 CO 0.18 -0.11 1.12 -2.84 -3.33 0.00 0.00 175.10 170.12 2jpo s PRO 129 N 1.88 2.25 0.70 1.54 0.02 -1.26 -5.03 135.00 135.09 2jpo s PRO 129 Ca 0.00 1.39 -0.16 0.00 0.02 0.00 0.00 61.00 62.25 2jpo s PRO 129 Cb -0.16 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.45 2jpo s PRO 129 CO -0.07 -1.68 0.67 0.09 -0.33 0.00 0.00 177.00 175.67 2jpo n ASN 130 N -3.12 -0.64 -0.10 2.53 3.02 -1.26 -4.89 115.26 110.80 2jpo n ASN 130 Ca 0.11 0.64 0.13 0.00 -0.03 0.00 0.00 54.58 55.43 2jpo n ASN 130 Cb 0.52 -1.27 0.51 0.00 -0.61 0.00 0.00 39.78 38.93 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 -0.22 0.38 -0.22 3.52 -0.00 -1.96 -2.14 114.93 114.29 2jpo h MET 131 Ca -0.46 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.70 59.21 2jpo h MET 131 Cb 1.35 -0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 32.86 2jpo h MET 131 CO 0.45 0.25 0.13 -0.44 -0.00 0.00 0.00 176.91 177.30 2jpo h ASP 132 N 0.39 0.26 -0.10 -0.10 3.32 -2.00 -3.00 116.42 115.20 2jpo h ASP 132 Ca 0.30 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.32 2jpo h ASP 132 Cb 0.65 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 2jpo h ASP 132 CO -0.09 0.23 0.02 -0.07 -1.72 0.00 0.00 179.24 177.61 2jpo h LEU 133 N 0.27 0.01 -0.35 1.55 3.38 -1.74 0.18 115.31 118.61 2jpo h LEU 133 Ca 0.08 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.12 2jpo h LEU 133 Cb 0.01 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 2jpo h LEU 133 CO -0.01 0.02 0.03 0.58 0.09 0.00 0.00 178.44 179.15 2jpo h VAL 134 N 0.06 0.78 -0.07 1.22 2.07 -1.49 -2.07 116.25 116.76 2jpo h VAL 134 Ca 0.04 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 2jpo h VAL 134 Cb 0.03 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2jpo h VAL 134 CO -0.06 0.03 -0.15 0.40 0.02 0.00 0.00 177.57 177.81 2jpo h ILE 135 N 0.14 1.41 -1.12 4.57 2.04 -1.37 -3.21 117.51 119.98 2jpo h ILE 135 Ca 0.17 -1.46 0.32 0.00 1.00 0.00 0.00 64.86 64.89 2jpo h ILE 135 Cb 0.21 2.20 -0.11 0.00 -0.74 0.00 0.00 36.82 38.38 2jpo h ILE 135 CO -0.25 0.41 0.71 1.23 0.00 0.00 0.00 178.15 180.25 2jpo h GLY 136 N -0.26 1.30 0.50 5.37 0.00 -0.29 -2.32 103.07 107.37 2jpo h GLY 136 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2jpo h GLY 136 CO 0.03 -0.24 -0.08 0.83 0.00 0.00 0.00 176.54 177.09 2jpo h GLU 137 N 0.30 -0.21 -0.41 4.80 4.39 -1.39 -1.31 114.58 120.75 2jpo h GLU 137 Ca 0.67 0.01 0.06 0.00 0.34 0.00 0.00 59.36 60.45 2jpo h GLU 137 Cb 1.82 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 30.47 2jpo h GLU 137 CO -0.35 0.20 0.09 -0.24 -1.16 0.00 0.00 179.01 177.55 2jpo h VAL 138 N -0.72 0.80 -1.00 3.13 3.04 -1.55 0.34 116.25 120.29 2jpo h VAL 138 Ca -0.02 -0.08 0.20 0.00 -1.01 0.00 0.00 66.70 65.79 2jpo h VAL 138 Cb 0.51 0.55 -0.11 0.00 -2.01 0.00 0.00 31.29 30.23 2jpo h VAL 138 CO 0.04 0.04 0.61 -0.07 -1.01 0.00 0.00 177.57 177.18 2jpo h LEU 139 N 0.23 0.75 0.01 3.16 4.07 -1.48 0.97 115.31 123.02 2jpo h LEU 139 Ca 0.20 0.10 -0.11 0.00 0.08 0.00 0.00 57.88 58.15 2jpo h LEU 139 Cb 0.23 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 41.95 2jpo h LEU 139 CO -0.25 0.23 -0.44 0.00 -1.08 0.00 0.00 178.44 176.90 2jpo h ALA 140 N 1.66 0.04 -0.12 1.53 0.00 -0.03 -3.38 119.26 118.96 2jpo h ALA 140 Ca 0.59 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2jpo h ALA 140 Cb 0.99 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2jpo h ALA 140 CO -0.39 0.22 -0.07 1.49 0.00 0.00 0.00 179.25 180.50 2jpo h GLU 141 N -0.32 0.26 0.00 0.00 4.22 -0.45 0.18 114.58 118.46 2jpo h GLU 141 Ca -0.06 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.27 2jpo h GLU 141 Cb 1.19 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2jpo h GLU 141 CO 0.09 0.61 0.00 0.28 -2.18 0.00 0.00 179.01 177.81