#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 3.80 0.09 1.43 0.04 -1.26 -4.49 135.00 134.61 2jpo s PRO 2 Ca 0.00 -1.97 0.00 0.00 0.04 0.00 0.00 61.00 59.07 2jpo s PRO 2 Cb 0.00 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.46 2jpo s PRO 2 CO 0.00 -1.87 0.00 -1.91 0.04 0.00 0.00 177.00 173.26 2jpo n GLU 3 N 6.73 0.00 -3.17 4.56 2.13 -1.26 -4.94 120.64 124.70 2jpo n GLU 3 Ca 0.32 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.92 2jpo n GLU 3 Cb 0.47 -0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.13 2jpo n GLU 3 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2jpo n ILE 4 N -2.81 0.50 -0.63 6.31 -5.35 -1.26 -5.10 119.36 111.02 2jpo n ILE 4 Ca 0.00 -4.68 -0.25 0.00 -0.27 0.00 0.00 62.75 57.55 2jpo n ILE 4 Cb 0.00 -1.04 0.22 0.00 -1.74 0.00 0.00 39.64 37.08 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 0.51 -3.44 -1.70 6.28 2.81 -1.26 -4.86 117.12 115.46 2jpo n MET 5 Ca 0.26 -1.33 -0.39 0.00 -1.81 0.00 0.00 57.70 54.43 2jpo n MET 5 Cb 0.56 -1.43 -0.04 0.00 -0.71 0.00 0.00 33.22 31.60 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 -4.61 1.99 -3.84 0.03 5.02 -1.26 -4.73 118.16 110.75 2jpo n LYS 6 Ca 0.12 -2.34 -0.28 0.00 -2.02 0.00 0.00 58.31 53.78 2jpo n LYS 6 Cb 0.49 -3.29 -0.12 0.00 -0.02 0.00 0.00 35.03 32.09 2jpo n LYS 6 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2jpo s ASN 7 N 5.01 4.29 0.00 4.39 0.01 -1.26 -4.87 114.94 122.51 2jpo s ASN 7 Ca 0.58 -3.53 0.00 0.00 -0.71 0.00 0.00 52.86 49.20 2jpo s ASN 7 Cb 0.09 -1.47 0.00 0.00 0.41 0.00 0.00 41.25 40.28 2jpo s ASN 7 CO 0.08 -0.13 0.00 -0.11 -1.51 0.00 0.00 177.10 175.43 2jpo n LEU 8 N 2.38 0.11 -0.03 0.60 7.94 -1.26 -4.75 117.00 121.99 2jpo n LEU 8 Ca 0.17 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.94 2jpo n LEU 8 Cb 0.36 -0.28 -0.10 0.00 0.53 0.00 0.00 43.42 43.93 2jpo n LEU 8 CO 0.26 -0.05 0.60 -1.28 -1.11 0.00 0.00 177.39 175.81 2jpo h SER 9 N 0.00 0.09 -0.50 1.96 0.87 -1.89 -0.06 113.55 114.02 2jpo h SER 9 Ca 0.00 -0.53 -0.13 0.00 -1.23 0.00 0.00 61.79 59.90 2jpo h SER 9 Cb 0.00 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2jpo h SER 9 CO 0.00 0.61 -0.18 0.78 -0.53 0.00 0.00 176.83 177.50 2jpo h ASN 10 N -0.43 1.03 -0.57 6.23 2.35 -1.90 -2.96 115.58 119.33 2jpo h ASN 10 Ca 0.00 -0.38 0.01 0.00 -0.55 0.00 0.00 56.30 55.38 2jpo h ASN 10 Cb 0.59 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 2jpo h ASN 10 CO 0.01 1.18 0.38 0.78 -1.65 0.00 0.00 177.43 178.13 2jpo h ASN 11 N 0.88 0.65 0.06 5.81 2.35 -1.73 -0.42 115.58 123.18 2jpo h ASN 11 Ca 0.12 -0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.88 2jpo h ASN 11 Cb 0.76 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.92 2jpo h ASN 11 CO 0.06 0.47 -0.34 -0.26 -1.65 0.00 0.00 177.43 175.71 2jpo h PHE 12 N 0.77 -0.93 0.00 1.19 0.04 -0.98 -1.87 116.94 115.16 2jpo h PHE 12 Ca 0.21 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.96 2jpo h PHE 12 Cb -0.08 0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 2jpo h PHE 12 CO -0.04 -0.44 -0.21 0.78 -0.60 0.00 0.00 178.31 177.81 2jpo h GLY 13 N -0.53 0.00 0.51 -1.45 0.00 -1.26 -1.19 103.07 99.16 2jpo h GLY 13 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 2jpo h GLY 13 CO -0.24 0.00 -0.03 1.70 0.00 0.00 0.00 176.54 177.98 2jpo h LYS 14 N 0.00 -0.07 -0.68 4.80 3.64 -0.57 -0.20 116.57 123.49 2jpo h LYS 14 Ca -0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2jpo h LYS 14 Cb 0.42 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 2jpo h LYS 14 CO 0.03 0.39 0.31 0.00 -2.27 0.00 0.00 179.45 177.91 2jpo h ALA 15 N 0.34 1.26 -0.39 5.00 0.00 -1.12 -0.82 119.26 123.53 2jpo h ALA 15 Ca -0.01 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2jpo h ALA 15 Cb 0.49 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2jpo h ALA 15 CO 0.01 0.56 0.15 1.98 0.00 0.00 0.00 179.25 181.95 2jpo h MET 16 N 0.97 0.30 -0.56 0.00 1.85 -1.09 -1.56 114.93 114.85 2jpo h MET 16 Ca 0.24 -0.02 -0.08 0.00 -0.61 0.00 0.00 59.70 59.22 2jpo h MET 16 Cb 0.13 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.06 2jpo h MET 16 CO -0.03 0.20 0.02 0.22 -0.40 0.00 0.00 176.91 176.92 2jpo h ASP 17 N 0.31 0.93 -0.78 1.39 3.58 -0.41 0.29 116.42 121.73 2jpo h ASP 17 Ca 0.18 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 2jpo h ASP 17 Cb 0.15 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.91 2jpo h ASP 17 CO -0.17 0.98 0.42 1.56 -2.88 0.00 0.00 179.24 179.15 2jpo h GLN 18 N 0.89 1.10 -0.06 0.28 4.20 -0.91 -2.07 115.11 118.54 2jpo h GLN 18 Ca 0.17 -0.13 -0.18 0.00 0.06 0.00 0.00 58.65 58.57 2jpo h GLN 18 Cb 0.50 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2jpo h GLN 18 CO 0.02 0.81 -0.73 0.00 -0.67 0.00 0.00 178.83 178.26 2jpo n LYS 20 N -3.81 0.13 -0.07 0.00 4.81 0.96 -0.39 118.16 119.79 2jpo n LYS 20 Ca -0.04 0.54 -0.13 0.00 -0.87 0.00 0.00 58.31 57.81 2jpo n LYS 20 Cb 0.71 -1.86 -0.04 0.00 0.02 0.00 0.00 35.03 33.85 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 -2.13 1.53 0.11 3.14 -0.08 -0.83 -2.13 116.55 116.16 2jpo n ASP 21 Ca -0.00 0.26 0.02 0.00 -1.51 0.00 0.00 54.79 53.55 2jpo n ASP 21 Cb 0.09 -0.59 0.36 0.00 2.34 0.00 0.00 41.12 43.32 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 -0.69 0.26 0.00 -0.67 5.08 -0.97 -2.67 114.58 114.92 2jpo h GLU 22 Ca -0.23 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2jpo h GLU 22 Cb 1.04 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2jpo h GLU 22 CO -0.14 0.42 -1.51 1.28 -1.00 0.00 0.00 179.01 178.06 2jpo n LEU 23 N -4.24 0.45 -3.46 1.33 4.77 0.47 -5.02 117.00 111.30 2jpo n LEU 23 Ca -0.01 -0.17 -0.18 0.00 -0.03 0.00 0.00 56.01 55.63 2jpo n LEU 23 Cb 0.29 -0.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.45 2jpo n LEU 23 CO 0.38 0.09 0.07 -0.24 -1.33 0.00 0.00 177.39 176.36 2jpo n SER 24 N -1.97 -2.44 -4.73 -1.43 2.88 -0.92 -4.95 113.62 100.06 2jpo n SER 24 Ca -0.00 -0.67 -0.41 0.00 -1.33 0.00 0.00 58.87 56.46 2jpo n SER 24 Cb 0.47 -4.94 -0.04 0.00 -0.75 0.00 0.00 64.21 58.95 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 -6.31 4.45 0.78 2.46 1.43 -0.91 -4.97 118.68 115.61 2jpo s LEU 25 Ca 0.06 2.09 -0.11 0.00 -1.03 0.00 0.00 54.13 55.14 2jpo s LEU 25 Cb -0.01 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.67 2jpo s LEU 25 CO 0.75 -0.30 1.10 -2.16 0.23 0.00 0.00 176.35 175.96 2jpo s PRO 26 N -0.01 2.19 0.50 1.29 0.04 -1.26 -4.76 135.00 132.98 2jpo s PRO 26 Ca 0.52 1.20 0.14 0.00 0.04 0.00 0.00 61.00 62.91 2jpo s PRO 26 Cb -0.30 -1.89 1.19 0.00 0.04 0.00 0.00 34.50 33.55 2jpo s PRO 26 CO 0.34 -1.70 2.13 0.22 0.04 0.00 0.00 177.00 178.03 2jpo h ASP 27 N -1.14 0.09 -0.15 6.66 3.58 -1.98 0.63 116.42 124.12 2jpo h ASP 27 Ca -0.44 -0.00 -0.07 0.00 0.42 0.00 0.00 57.03 56.94 2jpo h ASP 27 Cb 1.23 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 42.26 2jpo h ASP 27 CO 0.51 0.07 -0.20 0.28 -2.88 0.00 0.00 179.24 177.02 2jpo h SER 28 N 0.11 0.43 -0.36 2.28 0.02 -1.98 0.44 113.55 114.49 2jpo h SER 28 Ca 0.03 -0.51 -0.11 0.00 -0.84 0.00 0.00 61.79 60.37 2jpo h SER 28 Cb 0.01 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 2jpo h SER 28 CO -0.01 0.86 -0.16 0.58 -1.14 0.00 0.00 176.83 176.96 2jpo h VAL 29 N 0.02 1.27 -0.15 2.27 2.07 -1.55 0.19 116.25 120.36 2jpo h VAL 29 Ca 0.02 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 2jpo h VAL 29 Cb 0.75 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2jpo h VAL 29 CO 0.05 0.43 0.02 0.58 0.02 0.00 0.00 177.57 178.66 2jpo h VAL 30 N 0.74 1.23 -0.30 2.57 2.07 -0.88 0.35 116.25 122.03 2jpo h VAL 30 Ca 0.11 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 2jpo h VAL 30 Cb 0.67 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 2jpo h VAL 30 CO 0.05 0.22 0.11 0.00 0.02 0.00 0.00 177.57 177.97 2jpo h ALA 31 N 0.80 0.39 -0.79 1.67 0.00 -0.81 -2.77 119.26 117.74 2jpo h ALA 31 Ca 0.05 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.89 2jpo h ALA 31 Cb 0.33 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2jpo h ALA 31 CO 0.00 0.01 0.52 -0.44 0.00 0.00 0.00 179.25 179.34 2jpo h ASP 32 N 0.33 0.72 -0.70 0.00 5.19 -0.54 -1.35 116.42 120.06 2jpo h ASP 32 Ca 0.10 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 2jpo h ASP 32 Cb 0.22 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.55 2jpo h ASP 32 CO -0.01 0.45 0.34 0.25 -3.12 0.00 0.00 179.24 177.15 2jpo h LEU 33 N 0.81 0.93 -0.20 1.55 5.85 -0.64 0.76 115.31 124.37 2jpo h LEU 33 Ca 0.35 -0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.84 2jpo h LEU 33 Cb 0.32 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2jpo h LEU 33 CO -0.13 0.79 -0.36 1.88 -0.34 0.00 0.00 178.44 180.28 2jpo h TYR 34 N 1.02 0.75 -0.38 1.25 -1.99 -1.27 -3.24 116.97 113.11 2jpo h TYR 34 Ca 0.25 -0.26 0.11 0.00 2.00 0.00 0.00 58.73 60.82 2jpo h TYR 34 Cb 0.12 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 38.69 2jpo h TYR 34 CO 0.01 1.01 0.27 -0.91 -0.00 0.00 0.00 178.16 178.54 2jpo h ASN 35 N 0.28 0.02 -0.81 3.88 -0.26 -0.19 -2.65 115.58 115.85 2jpo h ASN 35 Ca 0.01 0.00 0.08 0.00 -0.56 0.00 0.00 56.30 55.83 2jpo h ASN 35 Cb 0.95 -0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.15 2jpo h ASN 35 CO 0.08 0.01 0.53 0.15 -1.06 0.00 0.00 177.43 177.14 2jpo h PHE 36 N 0.02 0.85 -0.92 1.19 3.57 -0.92 -1.95 116.94 118.78 2jpo h PHE 36 Ca 0.18 0.02 -0.56 0.00 3.53 0.00 0.00 57.97 61.14 2jpo h PHE 36 Cb 0.69 -0.28 -0.42 0.00 2.79 0.00 0.00 35.95 38.73 2jpo h PHE 36 CO -0.00 0.42 -0.74 -2.67 -2.23 0.00 0.00 178.31 173.09 2jpo n TRP 37 N -4.50 2.90 0.01 0.41 2.14 -1.00 -4.34 117.44 113.06 2jpo n TRP 37 Ca 0.13 -2.43 -0.02 0.00 2.07 0.00 0.00 57.50 57.25 2jpo n TRP 37 Cb 0.27 -0.32 -0.01 0.00 -0.81 0.00 0.00 31.31 30.44 2jpo n TRP 37 CO 0.00 0.00 0.00 1.17 2.07 0.00 0.00 177.69 180.93 2jpo n LYS 38 N -0.67 0.11 0.00 -2.67 4.81 -0.74 -4.88 118.16 114.13 2jpo n LYS 38 Ca 0.44 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 2jpo n LYS 38 Cb 0.89 -0.60 0.00 0.00 0.02 0.00 0.00 35.03 35.35 2jpo n LYS 38 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2jpo n ASP 39 N -3.44 0.00 -2.76 3.14 8.00 -1.23 -5.09 116.55 115.16 2jpo n ASP 39 Ca -0.03 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.44 2jpo n ASP 39 Cb 0.11 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.22 2jpo n ASP 39 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jpo s ASP 40 N -1.14 -1.02 0.12 -2.24 2.15 -1.26 -5.10 116.67 108.17 2jpo s ASP 40 Ca 0.00 -1.14 0.06 0.00 0.43 0.00 0.00 52.55 51.91 2jpo s ASP 40 Cb 0.00 1.33 -0.04 0.00 -0.30 0.00 0.00 42.92 43.91 2jpo s ASP 40 CO 0.00 -0.04 -0.15 -0.47 -0.17 0.00 0.00 175.17 174.34 2jpo s TYR 41 N 1.02 1.45 -0.26 -5.34 5.04 -1.26 -5.07 117.35 112.93 2jpo s TYR 41 Ca 0.26 -0.53 -0.01 0.00 -2.44 0.00 0.00 57.07 54.35 2jpo s TYR 41 Cb 0.04 -0.76 0.08 0.00 0.35 0.00 0.00 41.96 41.67 2jpo s TYR 41 CO -0.07 0.16 0.04 0.08 -1.34 0.00 0.00 175.55 174.41 2jpo s VAL 42 N -2.00 0.98 -0.78 3.14 1.01 -1.26 -4.74 120.40 116.74 2jpo s VAL 42 Ca 0.08 -1.15 -0.29 0.00 0.00 0.00 0.00 61.98 60.63 2jpo s VAL 42 Cb -0.06 -1.55 -0.16 0.00 0.00 0.00 0.00 36.38 34.62 2jpo s VAL 42 CO 0.03 -0.40 2.58 0.23 0.00 0.00 0.00 175.10 177.54 2jpo n MET 43 N 4.84 0.44 0.18 2.72 2.81 -1.26 -4.81 117.12 122.04 2jpo n MET 43 Ca -0.06 -0.01 0.06 0.00 -1.81 0.00 0.00 57.70 55.89 2jpo n MET 43 Cb 0.44 -2.33 0.18 0.00 -0.71 0.00 0.00 33.22 30.80 2jpo n MET 43 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 2jpo h THR 44 N 7.87 0.61 -3.28 2.03 1.35 -2.00 -3.46 112.91 116.03 2jpo h THR 44 Ca -0.13 -1.67 -0.17 0.00 -0.55 0.00 0.00 66.41 63.90 2jpo h THR 44 Cb 1.29 2.15 0.05 0.00 -1.73 0.00 0.00 68.15 69.92 2jpo h THR 44 CO 1.29 0.32 0.11 -0.67 -0.25 0.00 0.00 175.52 176.32 2jpo n ASP 45 N -3.25 0.23 -0.02 5.36 2.03 -1.26 -5.03 116.55 114.62 2jpo n ASP 45 Ca 0.02 -1.28 -0.05 0.00 0.52 0.00 0.00 54.79 53.99 2jpo n ASP 45 Cb 0.61 -0.32 -0.13 0.00 -0.72 0.00 0.00 41.12 40.55 2jpo n ASP 45 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2jpo n ARG 46 N -1.90 0.64 0.15 -0.67 1.85 -1.26 -4.67 116.66 110.79 2jpo n ARG 46 Ca 0.06 0.17 0.00 0.00 -1.00 0.00 0.00 57.85 57.09 2jpo n ARG 46 Cb 0.22 -1.72 0.29 0.00 -1.05 0.00 0.00 32.46 30.20 2jpo n ARG 46 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 2jpo h LEU 47 N 0.00 0.09 -0.64 2.89 3.38 -1.95 -2.56 115.31 116.53 2jpo h LEU 47 Ca -0.30 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 2jpo h LEU 47 Cb 1.89 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.58 2jpo h LEU 47 CO 0.05 0.49 0.24 0.00 0.09 0.00 0.00 178.44 179.31 2jpo h ALA 48 N 1.51 0.83 -0.64 1.53 0.00 -1.89 -0.18 119.26 120.42 2jpo h ALA 48 Ca 0.01 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.77 2jpo h ALA 48 Cb 0.76 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2jpo h ALA 48 CO 0.06 0.46 0.42 0.78 0.00 0.00 0.00 179.25 180.97 2jpo h GLY 49 N 0.90 0.84 1.02 0.00 0.00 -1.71 -0.73 103.07 103.39 2jpo h GLY 49 Ca 0.21 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 2jpo h GLY 49 CO -0.01 0.24 0.06 0.00 0.00 0.00 0.00 176.54 176.83 2jpo h ALA 51 N 0.98 -0.37 -0.10 0.00 0.00 -0.12 -1.03 119.26 118.61 2jpo h ALA 51 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2jpo h ALA 51 Cb 0.44 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2jpo h ALA 51 CO 0.02 -0.78 -0.11 0.82 0.00 0.00 0.00 179.25 179.19 2jpo h ILE 52 N -0.41 0.69 -0.99 0.00 2.04 -0.93 -1.62 117.51 116.30 2jpo h ILE 52 Ca 0.07 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.09 2jpo h ILE 52 Cb 0.52 0.69 -0.10 0.00 -0.74 0.00 0.00 36.82 37.19 2jpo h ILE 52 CO -0.28 0.00 0.60 -1.13 0.00 0.00 0.00 178.15 177.35 2jpo h ASN 53 N -0.14 0.83 -0.47 1.72 -0.73 -0.71 -0.79 115.58 115.29 2jpo h ASN 53 Ca 0.08 0.08 -0.08 0.00 1.87 0.00 0.00 56.30 58.25 2jpo h ASN 53 Cb 0.25 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.74 2jpo h ASN 53 CO -0.19 0.37 -0.00 0.00 -0.37 0.00 0.00 177.43 177.24 2jpo h LEU 55 N 0.69 0.53 -0.26 0.00 -0.00 -0.23 -0.36 115.31 115.68 2jpo h LEU 55 Ca 0.13 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 2jpo h LEU 55 Cb 0.51 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 2jpo h LEU 55 CO 0.02 0.31 0.00 0.00 -0.00 0.00 0.00 178.44 178.78 2jpo n ALA 56 N -2.48 1.78 -0.18 1.53 0.00 -0.96 -0.61 120.51 119.60 2jpo n ALA 56 Ca 0.13 -0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.67 2jpo n ALA 56 Cb 0.37 -1.34 0.26 0.00 0.00 0.00 0.00 19.45 18.75 2jpo n ALA 56 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jpo n THR 57 N -1.84 0.87 -2.58 0.00 -2.24 -0.18 -4.54 114.28 103.79 2jpo n THR 57 Ca 0.04 -0.94 -0.05 0.00 -2.27 0.00 0.00 64.05 60.83 2jpo n THR 57 Cb 0.23 0.62 0.05 0.00 -2.10 0.00 0.00 70.33 69.12 2jpo n THR 57 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2jpo n LYS 58 N 1.35 2.01 -0.06 -0.78 5.02 0.22 -4.89 118.16 121.03 2jpo n LYS 58 Ca 0.20 -3.52 0.07 0.00 -2.02 0.00 0.00 58.31 53.04 2jpo n LYS 58 Cb 0.57 -1.62 0.44 0.00 -0.02 0.00 0.00 35.03 34.40 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 2.31 0.46 -1.24 -0.35 -0.00 -1.77 0.12 115.31 114.84 2jpo h LEU 59 Ca -0.02 -0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.81 2jpo h LEU 59 Cb 1.38 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.93 2jpo h LEU 59 CO 0.30 0.31 -0.19 -0.78 -0.00 0.00 0.00 178.44 178.08 2jpo h ASP 60 N 0.53 0.00 0.05 -0.43 3.58 -1.88 0.34 116.42 118.61 2jpo h ASP 60 Ca 0.22 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.33 2jpo h ASP 60 Cb 0.22 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.23 2jpo h ASP 60 CO -0.06 0.19 -1.95 0.52 -2.88 0.00 0.00 179.24 175.06 2jpo n VAL 61 N -3.39 1.62 0.06 2.25 0.31 -0.58 -2.94 118.33 115.66 2jpo n VAL 61 Ca -0.00 -0.41 -0.05 0.00 -0.01 0.00 0.00 64.34 63.86 2jpo n VAL 61 Cb 0.40 -1.79 0.14 0.00 -0.91 0.00 0.00 33.84 31.67 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 -0.42 1.33 -2.57 2.52 3.04 -0.82 -3.39 116.25 115.95 2jpo h VAL 62 Ca -0.47 -1.72 -0.59 0.00 -1.01 0.00 0.00 66.70 62.91 2jpo h VAL 62 Cb 1.73 1.77 -0.39 0.00 -2.01 0.00 0.00 31.29 32.39 2jpo h VAL 62 CO -0.11 0.52 -0.87 -0.62 -1.01 0.00 0.00 177.57 175.48 2jpo s ASP 63 N -6.88 2.51 0.00 3.17 2.15 0.10 -3.36 116.67 114.36 2jpo s ASP 63 Ca -0.05 -2.71 0.21 0.00 0.43 0.00 0.00 52.55 50.42 2jpo s ASP 63 Cb 0.12 -0.57 1.03 0.00 -0.30 0.00 0.00 42.92 43.20 2jpo s ASP 63 CO 0.80 -0.23 1.66 -0.81 -0.17 0.00 0.00 175.17 176.41 2jpo n PRO 64 N 3.35 0.27 -0.17 4.34 -0.04 -1.15 -3.38 135.00 138.21 2jpo n PRO 64 Ca 0.20 0.10 -0.08 0.00 -0.04 0.00 0.00 63.50 63.67 2jpo n PRO 64 Cb 0.41 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.44 2jpo n PRO 64 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2jpo h ASP 65 N 0.00 0.96 0.00 3.54 3.58 -1.92 -3.48 116.42 119.10 2jpo h ASP 65 Ca 0.00 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.18 2jpo h ASP 65 Cb 0.21 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.00 2jpo h ASP 65 CO 0.00 1.02 0.00 0.61 -2.88 0.00 0.00 179.24 177.99 2jpo n GLY 66 N -0.46 1.56 0.39 -0.78 0.00 -1.22 -5.06 105.19 99.63 2jpo n GLY 66 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 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 1.40 -4.72 1.61 5.03 -1.26 -4.94 115.26 112.39 2jpo n ASN 67 Ca 0.00 0.24 -0.42 0.00 0.87 0.00 0.00 54.58 55.27 2jpo n ASN 67 Cb 0.00 -0.58 -0.03 0.00 -1.02 0.00 0.00 39.78 38.15 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 -7.05 4.37 0.22 3.41 0.20 -1.26 -3.84 118.68 114.72 2jpo s LEU 68 Ca -0.28 2.44 -0.11 0.00 0.69 0.00 0.00 54.13 56.88 2jpo s LEU 68 Cb 0.11 -3.59 -0.01 0.00 -0.43 0.00 0.00 46.19 42.27 2jpo s LEU 68 CO 0.35 -0.73 0.39 -1.00 -0.29 0.00 0.00 176.35 175.08 2jpo s HIS 69 N 1.14 0.43 0.44 5.38 3.76 -1.09 -4.81 115.29 120.55 2jpo s HIS 69 Ca 0.67 -0.77 -0.25 0.00 -0.15 0.00 0.00 55.06 54.55 2jpo s HIS 69 Cb -0.40 0.06 -0.09 0.00 1.11 0.00 0.00 32.58 33.26 2jpo s HIS 69 CO 0.31 -0.88 1.32 -2.39 -0.85 0.00 0.00 174.74 172.24 2jpo n HIS 70 N -0.33 2.28 -1.12 1.40 1.44 -1.26 -1.30 115.22 116.33 2jpo n HIS 70 Ca -0.03 0.48 -0.07 0.00 -2.01 0.00 0.00 57.72 56.08 2jpo n HIS 70 Cb 0.63 -2.40 -0.03 0.00 0.12 0.00 0.00 29.99 28.31 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 0.75 0.70 2.37 -1.39 0.00 0.88 -4.87 105.19 103.64 2jpo n GLY 71 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.64 -0.28 0.00 1.61 5.15 -0.42 -4.84 115.26 115.84 2jpo n ASN 72 Ca -0.07 -3.23 0.09 0.00 -0.60 0.00 0.00 54.58 50.77 2jpo n ASN 72 Cb 0.49 0.24 0.50 0.00 -0.53 0.00 0.00 39.78 40.48 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 0.38 2.07 0.03 5.20 0.00 -1.26 -2.66 120.51 124.27 2jpo n ALA 73 Ca 0.19 -0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.42 2jpo n ALA 73 Cb 0.67 -1.31 -0.08 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.15 -0.79 0.00 3.64 -1.88 0.13 116.57 117.52 2jpo h LYS 74 Ca 0.00 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.53 2jpo h LYS 74 Cb 0.12 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 31.88 2jpo h LYS 74 CO 0.00 0.33 0.37 -0.44 -2.27 0.00 0.00 179.45 177.44 2jpo h ASP 75 N -0.84 0.41 -0.05 4.20 5.19 -1.79 -1.59 116.42 121.94 2jpo h ASP 75 Ca -0.02 0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.49 2jpo h ASP 75 Cb 0.55 0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.10 2jpo h ASP 75 CO 0.03 0.17 0.02 0.15 -3.12 0.00 0.00 179.24 176.49 2jpo h PHE 76 N 0.54 0.07 -0.36 4.55 3.57 -1.59 -1.27 116.94 122.45 2jpo h PHE 76 Ca 0.43 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.97 2jpo h PHE 76 Cb 0.61 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.29 2jpo h PHE 76 CO -0.13 0.15 0.10 0.00 -2.23 0.00 0.00 178.31 176.20 2jpo h ALA 77 N 0.91 0.40 -0.48 2.41 0.00 -0.30 -1.67 119.26 120.53 2jpo h ALA 77 Ca 0.02 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2jpo h ALA 77 Cb 0.11 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2jpo h ALA 77 CO -0.00 -0.30 0.32 0.52 0.00 0.00 0.00 179.25 179.78 2jpo h MET 78 N 0.23 0.48 -0.48 0.00 2.86 -0.98 -1.51 114.93 115.52 2jpo h MET 78 Ca 0.17 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2jpo h MET 78 Cb 0.17 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2jpo h MET 78 CO -0.20 0.32 0.00 1.63 1.06 0.00 0.00 176.91 179.72 2jpo n LYS 79 N -4.48 2.18 0.01 1.72 4.76 -0.51 -4.46 118.16 117.38 2jpo n LYS 79 Ca 0.06 -1.83 0.00 0.00 -2.87 0.00 0.00 58.31 53.67 2jpo n LYS 79 Cb 0.18 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 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 0.99 -0.03 0.00 2.13 8.25 -0.81 -5.03 115.22 120.71 2jpo n HIS 80 Ca 0.17 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 2jpo n HIS 80 Cb 0.44 0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.62 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 3.21 0.00 3.40 -1.41 0.00 -0.64 -5.10 105.19 104.65 2jpo n GLY 81 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.47 0.42 4.61 0.00 -0.87 -4.98 121.76 121.41 2jpo s ALA 82 Ca 0.00 -1.29 0.05 0.00 0.00 0.00 0.00 51.96 50.72 2jpo s ALA 82 Cb 0.00 1.23 -0.06 0.00 0.00 0.00 0.00 23.12 24.28 2jpo s ALA 82 CO 0.00 -0.73 0.02 0.16 0.00 0.00 0.00 175.76 175.21 2jpo s ASP 83 N -3.09 3.62 0.36 0.00 1.47 -1.26 -4.10 116.67 113.66 2jpo s ASP 83 Ca 0.31 -1.44 0.18 0.00 1.18 0.00 0.00 52.55 52.77 2jpo s ASP 83 Cb 0.03 -0.12 1.19 0.00 -0.34 0.00 0.00 42.92 43.68 2jpo s ASP 83 CO 0.11 -0.58 1.64 -0.08 0.68 0.00 0.00 175.17 176.94 2jpo h GLU 84 N 1.75 0.21 0.74 2.11 4.81 -1.97 0.18 114.58 122.41 2jpo h GLU 84 Ca -0.43 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.75 2jpo h GLU 84 Cb 1.26 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.60 2jpo h GLU 84 CO 0.77 0.14 -0.36 1.15 -0.73 0.00 0.00 179.01 179.98 2jpo h THR 85 N 0.22 0.24 0.16 0.32 2.02 -1.98 0.13 112.91 114.02 2jpo h THR 85 Ca 0.77 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.87 2jpo h THR 85 Cb 1.90 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 2jpo h THR 85 CO -0.63 0.01 -0.08 0.24 0.37 0.00 0.00 175.52 175.43 2jpo h MET 86 N -1.05 -0.21 -0.72 6.66 2.86 -1.43 0.29 114.93 121.32 2jpo h MET 86 Ca -0.10 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.64 2jpo h MET 86 Cb 0.78 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.41 2jpo h MET 86 CO 0.17 -0.13 0.37 0.00 1.06 0.00 0.00 176.91 178.38 2jpo h ALA 87 N 0.61 1.00 -0.14 6.32 0.00 -0.74 -0.10 119.26 126.21 2jpo h ALA 87 Ca -0.02 0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 2jpo h ALA 87 Cb 0.18 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2jpo h ALA 87 CO 0.04 -0.02 -0.78 0.37 0.00 0.00 0.00 179.25 178.85 2jpo h GLN 88 N 0.63 0.75 -0.39 0.00 -0.00 -0.41 -2.98 115.11 112.71 2jpo h GLN 88 Ca 0.35 -0.61 0.06 0.00 -0.00 0.00 0.00 58.65 58.45 2jpo h GLN 88 Cb 0.36 0.13 -0.05 0.00 0.00 0.00 0.00 27.48 27.92 2jpo h GLN 88 CO -0.26 1.22 0.08 1.96 0.00 0.00 0.00 178.83 181.83 2jpo h GLN 89 N 0.51 0.20 -0.44 1.69 4.20 0.75 -0.25 115.11 121.76 2jpo h GLN 89 Ca -0.05 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.74 2jpo h GLN 89 Cb 1.40 -0.05 -0.09 0.00 0.30 0.00 0.00 27.48 29.05 2jpo h GLN 89 CO 0.16 0.13 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.24 2jpo h LEU 90 N 0.21 -0.52 -0.59 1.46 4.07 -1.09 0.12 115.31 118.98 2jpo h LEU 90 Ca 0.19 0.14 0.09 0.00 0.08 0.00 0.00 57.88 58.38 2jpo h LEU 90 Cb 0.22 0.31 -0.07 0.00 1.08 0.00 0.00 40.66 42.20 2jpo h LEU 90 CO -0.24 -0.18 0.22 1.62 -1.08 0.00 0.00 178.44 178.78 2jpo h VAL 91 N -0.04 0.79 -0.07 1.22 3.04 -1.20 -1.13 116.25 118.85 2jpo h VAL 91 Ca 0.21 -0.14 -0.05 0.00 -1.01 0.00 0.00 66.70 65.71 2jpo h VAL 91 Cb 0.37 0.34 -0.01 0.00 -2.01 0.00 0.00 31.29 29.99 2jpo h VAL 91 CO -0.48 0.07 -0.20 -0.78 -1.01 0.00 0.00 177.57 175.18 2jpo h ASP 92 N 0.41 0.11 0.30 3.17 3.58 0.72 0.16 116.42 124.89 2jpo h ASP 92 Ca 0.29 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.70 2jpo h ASP 92 Cb 0.34 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.37 2jpo h ASP 92 CO -0.29 0.32 -0.15 0.40 -2.88 0.00 0.00 179.24 176.65 2jpo h ILE 93 N 0.11 0.73 -0.16 2.25 1.08 0.34 -0.00 117.51 121.85 2jpo h ILE 93 Ca 0.02 -0.33 -0.21 0.00 -0.39 0.00 0.00 64.86 63.95 2jpo h ILE 93 Cb 0.42 0.91 0.01 0.00 -3.07 0.00 0.00 36.82 35.08 2jpo h ILE 93 CO 0.03 0.07 -0.72 -0.29 -0.69 0.00 0.00 178.15 176.54 2jpo h ILE 94 N -0.59 1.30 -0.19 -0.67 6.09 -0.86 -0.35 117.51 122.23 2jpo h ILE 94 Ca -0.04 -1.95 -0.03 0.00 -1.37 0.00 0.00 64.86 61.46 2jpo h ILE 94 Cb 0.43 1.93 -0.01 0.00 0.47 0.00 0.00 36.82 39.64 2jpo h ILE 94 CO 0.07 0.62 -0.03 0.45 -3.07 0.00 0.00 178.15 176.18 2jpo h HIS 95 N 0.51 0.29 0.40 2.19 3.86 -0.77 0.24 115.15 121.88 2jpo h HIS 95 Ca -0.04 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 2jpo h HIS 95 Cb 1.34 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.72 2jpo h HIS 95 CO 0.07 0.33 -0.19 0.78 0.86 0.00 0.00 177.93 179.79 2jpo h GLY 96 N 0.63 -0.56 1.30 2.45 0.00 -0.28 -2.88 103.07 103.74 2jpo h GLY 96 Ca 0.06 0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 2jpo h GLY 96 CO 0.01 -0.20 0.13 0.00 0.00 0.00 0.00 176.54 176.48 2jpo h GLU 98 N 0.84 0.95 -0.10 0.00 4.11 -0.55 -0.29 114.58 119.54 2jpo h GLU 98 Ca 0.18 -0.49 -0.05 0.00 0.07 0.00 0.00 59.36 59.06 2jpo h GLU 98 Cb 0.32 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2jpo h GLU 98 CO 0.00 1.15 -0.14 0.87 0.07 0.00 0.00 179.01 180.96 2jpo h LYS 99 N 0.77 0.28 0.00 1.06 6.56 -1.36 -3.10 116.57 120.78 2jpo h LYS 99 Ca 0.06 -0.16 0.00 0.00 -1.06 0.00 0.00 60.65 59.49 2jpo h LYS 99 Cb 0.97 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.64 2jpo h LYS 99 CO 0.09 0.73 0.00 0.45 -2.06 0.00 0.00 179.45 178.66 2jpo n SER 100 N -4.59 0.00 -4.58 0.86 2.88 -0.28 -4.94 113.62 102.96 2jpo n SER 100 Ca -0.07 -0.84 -0.46 0.00 -1.33 0.00 0.00 58.87 56.17 2jpo n SER 100 Cb 0.37 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.80 2jpo n SER 100 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jpo n ALA 101 N -0.99 -0.40 -1.10 -1.46 0.00 -0.12 -4.92 120.51 111.51 2jpo n ALA 101 Ca 0.19 0.42 -0.30 0.00 0.00 0.00 0.00 53.44 53.74 2jpo n ALA 101 Cb 0.09 -2.02 0.13 0.00 0.00 0.00 0.00 19.45 17.64 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 -1.10 1.58 -0.51 0.00 0.04 -1.26 -4.88 135.00 128.86 2jpo s PRO 102 Ca 0.64 1.12 -0.26 0.00 0.04 0.00 0.00 61.00 62.54 2jpo s PRO 102 Cb -0.75 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 31.92 2jpo s PRO 102 CO 0.57 -2.10 2.16 -1.25 0.04 0.00 0.00 177.00 176.41 2jpo s PRO 103 N -4.84 2.42 0.00 0.56 0.04 -1.26 -4.39 135.00 127.52 2jpo s PRO 103 Ca 0.63 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.82 2jpo s PRO 103 Cb -0.19 -4.48 0.00 0.00 0.04 0.00 0.00 34.50 29.87 2jpo s PRO 103 CO 0.57 -2.93 0.00 -1.71 0.04 0.00 0.00 177.00 172.97 2jpo n ASN 104 N 14.20 0.00 -2.68 6.66 5.15 -1.26 -5.15 115.26 132.18 2jpo n ASN 104 Ca 0.29 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 54.25 2jpo n ASN 104 Cb 0.53 0.19 -0.02 0.00 -0.53 0.00 0.00 39.78 39.95 2jpo n ASN 104 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2jpo n ASP 105 N -2.33 -4.28 -3.60 1.20 9.92 -1.26 -5.02 116.55 111.17 2jpo n ASP 105 Ca 0.00 1.38 -0.11 0.00 -0.53 0.00 0.00 54.79 55.53 2jpo n ASP 105 Cb 0.00 -5.22 -0.04 0.00 -0.64 0.00 0.00 41.12 35.22 2jpo n ASP 105 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2jpo s ASP 106 N -1.14 -0.28 0.06 -2.24 2.15 -1.26 -4.89 116.67 109.06 2jpo s ASP 106 Ca -0.14 -0.25 -0.21 0.00 0.43 0.00 0.00 52.55 52.37 2jpo s ASP 106 Cb 0.01 0.49 -0.13 0.00 -0.30 0.00 0.00 42.92 42.99 2jpo s ASP 106 CO 0.77 -0.86 1.51 0.11 -0.17 0.00 0.00 175.17 176.54 2jpo h LYS 107 N 2.35 0.23 0.12 4.34 1.57 -1.99 -0.17 116.57 123.01 2jpo h LYS 107 Ca -0.34 -0.06 -0.25 0.00 -1.87 0.00 0.00 60.65 58.13 2jpo h LYS 107 Cb 1.26 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2jpo h LYS 107 CO 0.45 0.43 -1.25 0.00 -0.57 0.00 0.00 179.45 178.52 2jpo h MET 109 N -0.33 0.75 -0.51 0.00 2.86 -1.80 -0.57 114.93 115.34 2jpo h MET 109 Ca -0.26 -0.36 -0.00 0.00 -2.06 0.00 0.00 59.70 57.02 2jpo h MET 109 Cb 1.73 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.36 2jpo h MET 109 CO 0.08 0.98 0.31 -0.22 1.06 0.00 0.00 176.91 179.13 2jpo h LYS 110 N 0.63 0.69 -1.00 1.72 3.64 -1.21 -0.37 116.57 120.67 2jpo h LYS 110 Ca 0.06 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 2jpo h LYS 110 Cb 0.88 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.48 2jpo h LYS 110 CO 0.08 0.49 0.64 1.15 -2.27 0.00 0.00 179.45 179.54 2jpo h THR 111 N 0.69 1.04 0.15 1.00 2.02 -1.41 0.13 112.91 116.53 2jpo h THR 111 Ca 0.18 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 2jpo h THR 111 Cb -0.02 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.22 2jpo h THR 111 CO -0.04 0.20 -0.07 0.40 0.37 0.00 0.00 175.52 176.39 2jpo h ILE 112 N 1.11 0.95 -0.38 3.11 2.04 -0.55 -0.29 117.51 123.51 2jpo h ILE 112 Ca 0.45 -0.41 0.03 0.00 1.00 0.00 0.00 64.86 65.93 2jpo h ILE 112 Cb 0.26 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 2jpo h ILE 112 CO -0.19 0.10 0.18 0.44 0.00 0.00 0.00 178.15 178.67 2jpo h ASP 113 N -0.39 0.24 -0.55 1.72 3.32 -0.22 0.30 116.42 120.86 2jpo h ASP 113 Ca -0.02 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 2jpo h ASP 113 Cb 0.31 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2jpo h ASP 113 CO 0.03 0.18 -0.11 0.58 -1.72 0.00 0.00 179.24 178.20 2jpo h VAL 114 N 0.36 1.27 -0.29 -1.35 2.07 -1.05 0.70 116.25 117.96 2jpo h VAL 114 Ca 0.16 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.39 2jpo h VAL 114 Cb 0.09 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2jpo h VAL 114 CO -0.13 0.45 0.11 0.00 0.02 0.00 0.00 177.57 178.03 2jpo h ALA 115 N 0.93 0.37 -0.01 1.67 0.00 -0.35 -0.97 119.26 120.90 2jpo h ALA 115 Ca 0.14 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2jpo h ALA 115 Cb 0.69 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2jpo h ALA 115 CO 0.05 -0.02 -0.62 0.00 0.00 0.00 0.00 179.25 178.66 2jpo h MET 116 N 0.31 0.03 -0.73 0.00 -0.00 -0.35 -2.87 114.93 111.33 2jpo h MET 116 Ca 0.10 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.70 59.73 2jpo h MET 116 Cb 0.19 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.76 2jpo h MET 116 CO -0.01 0.64 0.30 0.00 -0.00 0.00 0.00 176.91 177.84 2jpo h PHE 118 N 1.04 -0.45 0.00 0.00 3.04 -0.94 0.19 116.94 119.83 2jpo h PHE 118 Ca 0.24 0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.24 2jpo h PHE 118 Cb 0.20 0.28 -0.00 0.00 2.56 0.00 0.00 35.95 39.00 2jpo h PHE 118 CO 0.02 -0.29 -0.06 -0.22 -2.02 0.00 0.00 178.31 175.74 2jpo h LYS 119 N -0.05 0.00 -0.02 1.11 3.64 -1.59 0.26 116.57 119.91 2jpo h LYS 119 Ca 0.27 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 2jpo h LYS 119 Cb 0.46 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2jpo h LYS 119 CO -0.61 0.06 -0.01 0.87 -2.27 0.00 0.00 179.45 177.48 2jpo h LYS 120 N 0.00 0.05 0.00 1.90 1.79 -0.64 -3.25 116.57 116.42 2jpo h LYS 120 Ca -0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2jpo h LYS 120 Cb 0.18 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2jpo h LYS 120 CO 0.01 0.46 0.00 0.39 -1.08 0.00 0.00 179.45 179.23 2jpo n GLU 121 N -4.84 0.01 0.26 3.15 -0.58 -0.20 -0.77 120.64 117.67 2jpo n GLU 121 Ca -0.08 0.19 0.12 0.00 -0.42 0.00 0.00 57.16 56.97 2jpo n GLU 121 Cb 0.24 -1.50 0.70 0.00 -0.57 0.00 0.00 31.44 30.31 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 0.62 -0.03 -3.67 2.04 -1.06 -3.10 117.51 112.31 2jpo h ILE 122 Ca 0.00 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.32 2jpo h ILE 122 Cb 0.30 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2jpo h ILE 122 CO 0.00 0.12 0.07 0.45 0.00 0.00 0.00 178.15 178.79 2jpo h HIS 123 N 0.00 0.00 -0.02 1.37 3.86 -1.09 -1.48 115.15 117.79 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 0.34 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.81 2jpo h HIS 123 CO 0.00 0.00 -0.10 0.36 0.86 0.00 0.00 177.93 179.05 2jpo n LYS 124 N -3.39 1.56 0.09 2.45 -0.00 -1.17 -4.31 118.16 113.38 2jpo n LYS 124 Ca -0.02 -1.38 -0.13 0.00 -0.00 0.00 0.00 58.31 56.78 2jpo n LYS 124 Cb 0.15 -1.34 -0.08 0.00 -0.00 0.00 0.00 35.03 33.75 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 3.12 -0.21 0.00 -5.58 3.38 -1.39 -3.47 115.31 111.16 2jpo h LEU 125 Ca 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2jpo h LEU 125 Cb 0.71 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2jpo h LEU 125 CO 0.00 0.17 0.00 0.59 0.09 0.00 0.00 178.44 179.29 2jpo n ASN 126 N -5.03 0.00 -1.98 -0.43 5.03 -1.25 -4.97 115.26 106.62 2jpo n ASN 126 Ca -0.09 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.36 2jpo n ASN 126 Cb 0.24 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.00 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 -2.00 -2.68 -3.68 3.10 4.27 -1.26 -5.14 117.44 110.05 2jpo n TRP 127 Ca 0.00 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.47 2jpo n TRP 127 Cb 0.00 0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 29.82 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 -0.02 -0.32 0.25 -1.67 0.11 -1.26 -4.98 120.40 112.51 2jpo s VAL 128 Ca 0.00 0.26 -0.30 0.00 -2.93 0.00 0.00 61.98 59.02 2jpo s VAL 128 Cb 0.00 -0.41 -0.09 0.00 -1.53 0.00 0.00 36.38 34.35 2jpo s VAL 128 CO 0.00 0.11 0.97 -2.16 -3.33 0.00 0.00 175.10 170.69 2jpo s PRO 129 N 2.16 4.79 0.91 1.54 0.04 -1.26 -5.04 135.00 138.14 2jpo s PRO 129 Ca -0.01 1.54 -0.12 0.00 0.04 0.00 0.00 61.00 62.45 2jpo s PRO 129 Cb -0.12 -3.22 0.07 0.00 0.04 0.00 0.00 34.50 31.27 2jpo s PRO 129 CO -0.08 0.44 0.70 0.09 0.04 0.00 0.00 177.00 178.19 2jpo n ASN 130 N 1.35 -1.05 -0.34 6.66 3.02 -1.26 -4.74 115.26 118.90 2jpo n ASN 130 Ca -0.01 0.40 -0.09 0.00 -0.03 0.00 0.00 54.58 54.84 2jpo n ASN 130 Cb 0.47 -1.31 -0.08 0.00 -0.61 0.00 0.00 39.78 38.25 2jpo n ASN 130 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2jpo n MET 131 N -2.51 -0.35 0.10 3.52 2.81 -1.26 -1.83 117.12 117.61 2jpo n MET 131 Ca 0.09 1.34 -0.13 0.00 -1.81 0.00 0.00 57.70 57.19 2jpo n MET 131 Cb 0.53 -1.97 -0.06 0.00 -0.71 0.00 0.00 33.22 31.01 2jpo n MET 131 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2jpo h ASP 132 N 0.00 -0.89 -0.38 7.83 5.19 -1.99 -2.32 116.42 123.86 2jpo h ASP 132 Ca 0.13 0.11 0.07 0.00 -0.62 0.00 0.00 57.03 56.72 2jpo h ASP 132 Cb 0.33 0.34 -0.09 0.00 0.18 0.00 0.00 39.33 40.09 2jpo h ASP 132 CO -0.75 -0.39 -0.36 -0.07 -3.12 0.00 0.00 179.24 174.54 2jpo h LEU 133 N -0.52 -1.20 -0.46 1.55 4.07 -1.79 0.18 115.31 117.14 2jpo h LEU 133 Ca 0.04 0.20 0.01 0.00 0.08 0.00 0.00 57.88 58.21 2jpo h LEU 133 Cb 0.56 0.54 -0.03 0.00 1.08 0.00 0.00 40.66 42.82 2jpo h LEU 133 CO -0.20 -0.34 0.29 0.58 -1.08 0.00 0.00 178.44 177.69 2jpo h VAL 134 N -0.29 1.09 0.09 1.22 2.07 -1.08 -2.75 116.25 116.60 2jpo h VAL 134 Ca 0.16 -0.20 -0.20 0.00 0.82 0.00 0.00 66.70 67.28 2jpo h VAL 134 Cb 0.56 0.45 0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2jpo h VAL 134 CO -0.54 0.11 -0.84 0.40 0.02 0.00 0.00 177.57 176.72 2jpo h ILE 135 N 0.59 1.43 -0.93 4.57 2.04 -0.82 -2.75 117.51 121.64 2jpo h ILE 135 Ca 0.17 -2.36 0.21 0.00 1.00 0.00 0.00 64.86 63.88 2jpo h ILE 135 Cb -0.04 2.89 -0.07 0.00 -0.74 0.00 0.00 36.82 38.86 2jpo h ILE 135 CO -0.05 0.69 0.61 1.23 0.00 0.00 0.00 178.15 180.62 2jpo h GLY 136 N -0.14 0.98 0.39 5.37 0.00 -0.70 -2.00 103.07 106.98 2jpo h GLY 136 Ca -0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2jpo h GLY 136 CO 0.16 -0.02 -0.08 -2.09 0.00 0.00 0.00 176.54 174.51 2jpo h GLU 137 N 0.44 -0.22 -0.68 4.80 4.57 -1.32 -2.67 114.58 119.50 2jpo h GLU 137 Ca 0.49 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.77 2jpo h GLU 137 Cb 1.18 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 29.75 2jpo h GLU 137 CO -0.21 0.20 0.35 -0.24 -1.18 0.00 0.00 179.01 177.93 2jpo h VAL 138 N -0.84 0.89 -0.31 0.32 3.04 -1.25 -0.66 116.25 117.44 2jpo h VAL 138 Ca -0.02 -0.21 0.07 0.00 -1.01 0.00 0.00 66.70 65.53 2jpo h VAL 138 Cb 0.52 0.22 -0.01 0.00 -2.01 0.00 0.00 31.29 30.01 2jpo h VAL 138 CO 0.04 0.11 0.22 -0.07 -1.01 0.00 0.00 177.57 176.86 2jpo h LEU 139 N 0.62 0.08 0.06 3.16 4.07 -1.46 -1.11 115.31 120.73 2jpo h LEU 139 Ca 0.32 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.97 2jpo h LEU 139 Cb 0.29 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 41.98 2jpo h LEU 139 CO -0.23 0.05 -1.79 0.00 -1.08 0.00 0.00 178.44 175.38 2jpo h ALA 140 N 1.84 0.60 0.24 1.53 0.00 -0.81 -3.38 119.26 119.29 2jpo h ALA 140 Ca 0.14 -1.41 -0.01 0.00 0.00 0.00 0.00 54.91 53.64 2jpo h ALA 140 Cb 0.46 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2jpo h ALA 140 CO -0.01 1.45 -0.12 1.49 0.00 0.00 0.00 179.25 182.06 2jpo h GLU 141 N 0.03 -0.31 0.00 0.00 4.22 -1.04 0.25 114.58 117.73 2jpo h GLU 141 Ca -0.33 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.13 2jpo h GLU 141 Cb 2.02 0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.34 2jpo h GLU 141 CO 0.09 0.03 0.00 0.28 -2.18 0.00 0.00 179.01 177.23