#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 3.53 0.26 1.43 0.04 -1.26 -4.79 135.00 134.21 2jpo s PRO 2 Ca 0.00 -1.40 0.01 0.00 0.04 0.00 0.00 61.00 59.65 2jpo s PRO 2 Cb 0.00 -5.39 0.34 0.00 0.04 0.00 0.00 34.50 29.49 2jpo s PRO 2 CO 0.00 -2.55 1.68 0.93 0.04 0.00 0.00 177.00 177.10 2jpo h GLU 3 N 9.03 0.53 -6.53 4.56 3.07 -2.11 -3.46 114.58 119.67 2jpo h GLU 3 Ca 0.29 -0.22 -0.50 0.00 -0.50 0.00 0.00 59.36 58.44 2jpo h GLU 3 Cb 0.94 -0.02 -0.22 0.00 -0.84 0.00 0.00 28.75 28.61 2jpo h GLU 3 CO 1.40 0.76 -0.75 0.44 -1.40 0.00 0.00 179.01 179.46 2jpo n ILE 4 N -4.10 -0.47 -2.39 3.13 -5.35 -1.26 -4.96 119.36 103.95 2jpo n ILE 4 Ca -0.01 -0.24 -0.27 0.00 -0.27 0.00 0.00 62.75 61.97 2jpo n ILE 4 Cb 0.43 -0.63 0.03 0.00 -1.74 0.00 0.00 39.64 37.73 2jpo n ILE 4 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 2jpo s MET 5 N -6.27 2.99 -0.26 6.28 -1.94 -1.26 -4.80 119.30 114.05 2jpo s MET 5 Ca 0.27 0.04 -0.03 0.00 -1.71 0.00 0.00 55.69 54.26 2jpo s MET 5 Cb -0.16 -2.27 0.01 0.00 2.01 0.00 0.00 34.83 34.42 2jpo s MET 5 CO 0.80 -0.66 0.21 1.63 -0.01 0.00 0.00 175.02 177.00 2jpo n LYS 6 N -2.57 -0.57 -2.14 2.03 5.02 -1.26 -4.85 118.16 113.82 2jpo n LYS 6 Ca 0.04 0.32 -0.28 0.00 -2.02 0.00 0.00 58.31 56.36 2jpo n LYS 6 Cb 0.57 -0.75 0.02 0.00 -0.02 0.00 0.00 35.03 34.85 2jpo n LYS 6 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2jpo n ASN 7 N -0.30 5.42 0.00 4.39 0.23 -1.26 -4.91 115.26 118.82 2jpo n ASN 7 Ca -0.09 -3.75 0.00 0.00 -0.53 0.00 0.00 54.58 50.20 2jpo n ASN 7 Cb 0.24 -0.54 0.00 0.00 -2.08 0.00 0.00 39.78 37.40 2jpo n ASN 7 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jpo n LEU 8 N -0.61 0.23 -0.16 -4.53 -0.00 -1.26 -4.77 117.00 105.90 2jpo n LEU 8 Ca 0.45 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 56.42 2jpo n LEU 8 Cb 0.71 -0.53 0.03 0.00 -0.00 0.00 0.00 43.42 43.63 2jpo n LEU 8 CO 0.42 -0.12 0.72 -1.28 -0.00 0.00 0.00 177.39 177.13 2jpo h SER 9 N 0.00 -0.70 -0.39 1.45 0.87 -1.93 0.15 113.55 113.00 2jpo h SER 9 Ca 0.00 0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.78 2jpo h SER 9 Cb 0.00 0.40 -0.05 0.00 -0.44 0.00 0.00 62.40 62.31 2jpo h SER 9 CO 0.00 -0.23 0.12 0.78 -0.53 0.00 0.00 176.83 176.97 2jpo h ASN 10 N -0.09 0.12 -0.07 6.23 2.35 -1.97 -0.47 115.58 121.69 2jpo h ASN 10 Ca 0.24 0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.94 2jpo h ASN 10 Cb 0.45 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.87 2jpo h ASN 10 CO -0.56 0.10 -0.33 0.78 -1.65 0.00 0.00 177.43 175.77 2jpo h ASN 11 N 0.28 0.40 -0.25 5.81 2.35 -1.50 0.45 115.58 123.12 2jpo h ASN 11 Ca 0.18 -0.65 0.06 0.00 -0.55 0.00 0.00 56.30 55.34 2jpo h ASN 11 Cb 0.18 -0.12 -0.08 0.00 0.05 0.00 0.00 38.32 38.35 2jpo h ASN 11 CO -0.20 0.99 -0.36 0.15 -1.65 0.00 0.00 177.43 176.37 2jpo h PHE 12 N -0.16 -1.00 0.00 1.19 3.04 -0.62 -0.99 116.94 118.41 2jpo h PHE 12 Ca -0.02 0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.98 2jpo h PHE 12 Cb 0.98 0.48 0.00 0.00 2.56 0.00 0.00 35.95 39.97 2jpo h PHE 12 CO 0.13 -0.41 0.00 0.78 -2.02 0.00 0.00 178.31 176.79 2jpo h GLY 13 N -0.36 0.00 0.58 2.40 0.00 -1.02 -0.84 103.07 103.82 2jpo h GLY 13 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.35 2jpo h GLY 13 CO -0.45 0.00 -0.40 1.70 0.00 0.00 0.00 176.54 177.39 2jpo h LYS 14 N 0.00 0.26 -0.73 4.80 3.64 0.04 0.47 116.57 125.05 2jpo h LYS 14 Ca 0.00 -0.29 -0.06 0.00 -1.27 0.00 0.00 60.65 59.03 2jpo h LYS 14 Cb 0.62 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 2jpo h LYS 14 CO 0.00 1.01 0.22 0.00 -2.27 0.00 0.00 179.45 178.40 2jpo h ALA 15 N 0.27 1.01 -0.54 5.00 0.00 -1.06 -0.75 119.26 123.19 2jpo h ALA 15 Ca -0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2jpo h ALA 15 Cb 1.15 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2jpo h ALA 15 CO 0.08 0.66 0.33 1.98 0.00 0.00 0.00 179.25 182.29 2jpo h MET 16 N 1.08 0.73 -0.81 0.00 1.85 -1.13 -1.69 114.93 114.97 2jpo h MET 16 Ca 0.23 -0.07 0.03 0.00 -0.61 0.00 0.00 59.70 59.28 2jpo h MET 16 Cb 0.31 -0.15 -0.05 0.00 0.43 0.00 0.00 31.60 32.14 2jpo h MET 16 CO -0.01 0.53 0.52 0.22 -0.40 0.00 0.00 176.91 177.78 2jpo h ASP 17 N 0.73 0.87 0.20 1.39 3.58 -0.49 0.30 116.42 123.00 2jpo h ASP 17 Ca 0.19 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.60 2jpo h ASP 17 Cb -0.01 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 2jpo h ASP 17 CO -0.04 0.61 -0.19 1.56 -2.88 0.00 0.00 179.24 178.31 2jpo h GLN 18 N 1.03 0.00 0.08 0.28 4.20 -0.73 -0.89 115.11 119.08 2jpo h GLN 18 Ca 0.32 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.91 2jpo h GLN 18 Cb -0.02 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.77 2jpo h GLN 18 CO -0.10 0.19 -0.54 0.00 -0.67 0.00 0.00 178.83 177.71 2jpo n LYS 20 N -4.32 0.00 -0.04 0.00 4.81 0.89 -0.41 118.16 119.09 2jpo n LYS 20 Ca -0.14 0.40 -0.05 0.00 -0.87 0.00 0.00 58.31 57.65 2jpo n LYS 20 Cb 0.69 -1.60 -0.02 0.00 0.02 0.00 0.00 35.03 34.12 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 -1.39 1.17 0.15 3.14 -0.08 -0.36 -2.86 116.55 116.32 2jpo n ASP 21 Ca 0.00 0.19 0.03 0.00 -1.51 0.00 0.00 54.79 53.51 2jpo n ASP 21 Cb 0.10 -0.58 0.42 0.00 2.34 0.00 0.00 41.12 43.41 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 -0.53 0.16 0.00 -0.67 5.08 -0.83 -2.73 114.58 115.06 2jpo h GLU 22 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2jpo h GLU 22 Cb 0.53 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2jpo h GLU 22 CO 0.00 0.32 -1.89 1.28 -1.00 0.00 0.00 179.01 177.73 2jpo n LEU 23 N -4.28 0.07 -1.84 1.33 4.32 0.45 -5.01 117.00 112.04 2jpo n LEU 23 Ca -0.01 -0.04 -0.13 0.00 -0.02 0.00 0.00 56.01 55.81 2jpo n LEU 23 Cb 0.27 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.09 2jpo n LEU 23 CO 0.38 0.02 0.00 -0.24 -1.22 0.00 0.00 177.39 176.32 2jpo n SER 24 N -2.17 -4.19 -4.76 -1.43 2.88 -1.03 -4.96 113.62 97.97 2jpo n SER 24 Ca -0.03 -0.17 -0.41 0.00 -1.33 0.00 0.00 58.87 56.93 2jpo n SER 24 Cb 0.53 -3.07 -0.02 0.00 -0.75 0.00 0.00 64.21 60.90 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 -4.05 4.38 0.57 2.46 1.43 -1.16 -4.94 118.68 117.38 2jpo s LEU 25 Ca 0.18 2.75 -0.18 0.00 -1.03 0.00 0.00 54.13 55.84 2jpo s LEU 25 Cb -0.08 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 2jpo s LEU 25 CO 0.22 -0.71 1.13 -2.16 0.23 0.00 0.00 176.35 175.06 2jpo s PRO 26 N -0.92 3.20 0.50 1.29 0.04 -1.26 -4.74 135.00 133.11 2jpo s PRO 26 Ca 0.57 1.59 0.26 0.00 0.04 0.00 0.00 61.00 63.46 2jpo s PRO 26 Cb -0.43 -1.99 1.35 0.00 0.04 0.00 0.00 34.50 33.48 2jpo s PRO 26 CO 0.48 -0.97 1.91 0.22 0.04 0.00 0.00 177.00 178.68 2jpo h ASP 27 N 0.93 0.11 0.08 6.66 3.58 -1.98 0.25 116.42 126.05 2jpo h ASP 27 Ca -0.49 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 56.96 2jpo h ASP 27 Cb 1.26 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.30 2jpo h ASP 27 CO 0.56 0.05 -0.04 0.77 -2.88 0.00 0.00 179.24 177.70 2jpo h SER 28 N 0.11 -0.09 0.42 2.28 4.64 -1.98 -0.94 113.55 118.00 2jpo h SER 28 Ca 0.39 -0.50 -0.12 0.00 -0.47 0.00 0.00 61.79 61.09 2jpo h SER 28 Cb 1.38 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 2jpo h SER 28 CO -0.05 0.52 -0.52 0.58 -0.87 0.00 0.00 176.83 176.49 2jpo h VAL 29 N -0.76 1.36 0.42 0.95 2.07 -1.63 0.13 116.25 118.80 2jpo h VAL 29 Ca -0.01 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 2jpo h VAL 29 Cb 0.59 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 2jpo h VAL 29 CO 0.02 0.52 -0.26 0.58 0.02 0.00 0.00 177.57 178.44 2jpo h VAL 30 N 0.08 0.45 -0.58 2.57 2.07 -0.57 0.11 116.25 120.39 2jpo h VAL 30 Ca -0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2jpo h VAL 30 Cb 0.94 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 2jpo h VAL 30 CO 0.07 0.00 0.34 0.00 0.02 0.00 0.00 177.57 178.00 2jpo h ALA 31 N -0.12 0.76 0.00 1.67 0.00 -1.00 -2.62 119.26 117.95 2jpo h ALA 31 Ca -0.05 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2jpo h ALA 31 Cb 0.54 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2jpo h ALA 31 CO 0.04 0.05 -0.24 -0.44 0.00 0.00 0.00 179.25 178.66 2jpo h ASP 32 N 0.66 0.00 0.59 0.00 5.19 -0.35 -1.73 116.42 120.78 2jpo h ASP 32 Ca 0.24 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.60 2jpo h ASP 32 Cb 0.07 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 2jpo h ASP 32 CO -0.12 0.24 -0.27 0.25 -3.12 0.00 0.00 179.24 176.22 2jpo h LEU 33 N 0.00 0.00 -0.09 1.55 7.12 -0.40 0.15 115.31 123.65 2jpo h LEU 33 Ca -0.00 0.00 -0.20 0.00 0.13 0.00 0.00 57.88 57.81 2jpo h LEU 33 Cb 0.44 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.58 2jpo h LEU 33 CO 0.03 0.27 -0.71 1.88 -0.13 0.00 0.00 178.44 179.78 2jpo h TYR 34 N 0.00 0.89 0.00 1.25 -1.99 -1.30 -3.33 116.97 112.48 2jpo h TYR 34 Ca -0.00 -0.42 0.00 0.00 2.00 0.00 0.00 58.73 60.31 2jpo h TYR 34 Cb 0.63 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.24 2jpo h TYR 34 CO 0.00 1.23 0.00 -0.91 -0.00 0.00 0.00 178.16 178.48 2jpo h ASN 35 N 0.29 0.00 -0.38 3.88 2.35 -0.31 -3.31 115.58 118.11 2jpo h ASN 35 Ca -0.06 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.77 2jpo h ASN 35 Cb 1.36 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 39.65 2jpo h ASN 35 CO 0.14 0.00 -0.25 0.15 -1.65 0.00 0.00 177.43 175.82 2jpo h PHE 36 N 0.00 -0.66 -0.11 1.19 3.57 -0.88 -0.61 116.94 119.44 2jpo h PHE 36 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2jpo h PHE 36 Cb 0.50 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.59 2jpo h PHE 36 CO 0.00 -0.33 0.00 0.91 -2.23 0.00 0.00 178.31 176.66 2jpo n TRP 37 N -5.40 0.12 -2.71 0.41 7.02 -1.24 -3.42 117.44 112.22 2jpo n TRP 37 Ca 0.01 -0.06 -0.43 0.00 -1.02 0.00 0.00 57.50 56.01 2jpo n TRP 37 Cb 0.31 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.17 2jpo n TRP 37 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 2jpo s LYS 38 N -1.88 4.10 1.16 -0.99 2.20 -0.24 -4.70 119.74 119.39 2jpo s LYS 38 Ca 0.35 1.05 0.00 0.00 -0.36 0.00 0.00 55.97 57.01 2jpo s LYS 38 Cb 0.20 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 2jpo s LYS 38 CO 0.31 -0.78 0.00 -0.25 -0.36 0.00 0.00 175.35 174.26 2jpo n ASP 39 N 6.58 0.00 -2.63 1.43 9.92 -1.26 -3.09 116.55 127.50 2jpo n ASP 39 Ca 0.10 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.32 2jpo n ASP 39 Cb 0.47 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.99 2jpo n ASP 39 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2jpo n ASP 40 N 2.15 -1.39 -4.67 -2.24 5.75 -1.26 -5.15 116.55 109.73 2jpo n ASP 40 Ca 0.00 -1.94 -0.30 0.00 -0.01 0.00 0.00 54.79 52.54 2jpo n ASP 40 Cb 0.00 0.96 0.16 0.00 -1.03 0.00 0.00 41.12 41.21 2jpo n ASP 40 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2jpo s TYR 41 N 0.10 2.03 -0.10 2.11 6.14 -1.18 -5.08 117.35 121.37 2jpo s TYR 41 Ca 0.10 1.34 -0.01 0.00 0.64 0.00 0.00 57.07 59.14 2jpo s TYR 41 Cb 0.20 -3.18 0.03 0.00 0.42 0.00 0.00 41.96 39.43 2jpo s TYR 41 CO -0.05 -2.72 -0.03 0.08 0.64 0.00 0.00 175.55 173.47 2jpo s VAL 42 N -2.80 0.70 0.36 3.14 1.01 -1.26 -4.81 120.40 116.74 2jpo s VAL 42 Ca 0.65 -0.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.23 2jpo s VAL 42 Cb -0.20 -0.82 -0.09 0.00 0.00 0.00 0.00 36.38 35.27 2jpo s VAL 42 CO 0.58 0.27 1.10 -0.04 0.00 0.00 0.00 175.10 177.01 2jpo s MET 43 N 1.84 4.28 0.00 2.72 -1.94 -1.26 -4.93 119.30 120.00 2jpo s MET 43 Ca 0.04 1.70 0.00 0.00 -1.71 0.00 0.00 55.69 55.72 2jpo s MET 43 Cb -0.13 -2.78 0.00 0.00 2.01 0.00 0.00 34.83 33.93 2jpo s MET 43 CO -0.07 -0.08 0.57 0.25 -0.01 0.00 0.00 175.02 175.67 2jpo n THR 44 N 0.36 0.23 -3.89 2.05 -2.24 -1.26 -5.02 114.28 104.50 2jpo n THR 44 Ca 0.03 -0.55 -0.36 0.00 -2.27 0.00 0.00 64.05 60.91 2jpo n THR 44 Cb 0.47 0.98 -0.13 0.00 -2.10 0.00 0.00 70.33 69.55 2jpo n THR 44 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jpo s ASP 45 N -0.23 4.73 0.19 3.42 1.11 -1.26 -5.02 116.67 119.61 2jpo s ASP 45 Ca 0.00 -0.28 -0.13 0.00 0.18 0.00 0.00 52.55 52.32 2jpo s ASP 45 Cb 0.00 -1.83 0.19 0.00 1.07 0.00 0.00 42.92 42.36 2jpo s ASP 45 CO 0.00 -0.01 1.72 -0.09 1.18 0.00 0.00 175.17 177.97 2jpo h ARG 46 N 8.01 0.25 -0.92 8.23 2.43 -1.98 -0.57 114.38 129.83 2jpo h ARG 46 Ca -0.39 -0.01 0.20 0.00 -0.81 0.00 0.00 59.98 58.96 2jpo h ARG 46 Cb 1.17 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.59 2jpo h ARG 46 CO 0.59 0.16 0.60 -0.07 -1.51 0.00 0.00 179.97 179.75 2jpo h LEU 47 N 0.25 0.50 -0.68 3.80 -0.00 -1.97 -0.32 115.31 116.89 2jpo h LEU 47 Ca 0.25 0.05 -0.05 0.00 -0.00 0.00 0.00 57.88 58.13 2jpo h LEU 47 Cb 0.33 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 40.92 2jpo h LEU 47 CO -0.32 0.20 0.22 0.00 -0.00 0.00 0.00 178.44 178.54 2jpo h ALA 48 N 1.61 0.90 -0.03 1.53 0.00 -1.42 0.29 119.26 122.14 2jpo h ALA 48 Ca 0.49 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2jpo h ALA 48 Cb 1.08 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2jpo h ALA 48 CO -0.21 0.57 0.01 0.78 0.00 0.00 0.00 179.25 180.40 2jpo h GLY 49 N 1.00 0.05 1.27 0.00 0.00 -1.31 -2.74 103.07 101.33 2jpo h GLY 49 Ca 0.22 -0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.55 2jpo h GLY 49 CO -0.01 0.03 0.43 0.00 0.00 0.00 0.00 176.54 176.98 2jpo h ALA 51 N 1.62 -0.03 -0.18 0.00 0.00 -0.40 -0.95 119.26 119.33 2jpo h ALA 51 Ca 0.26 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.21 2jpo h ALA 51 Cb 0.05 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2jpo h ALA 51 CO -0.07 -0.53 -0.02 0.82 0.00 0.00 0.00 179.25 179.45 2jpo h ILE 52 N -0.06 0.85 -0.89 0.00 2.04 -1.08 -2.30 117.51 116.06 2jpo h ILE 52 Ca 0.02 -0.01 0.18 0.00 1.00 0.00 0.00 64.86 66.06 2jpo h ILE 52 Cb 0.09 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 2jpo h ILE 52 CO -0.05 0.01 0.58 -1.13 0.00 0.00 0.00 178.15 177.56 2jpo h ASN 53 N 0.03 0.48 -0.02 1.72 -0.73 -0.55 -0.76 115.58 115.75 2jpo h ASN 53 Ca 0.09 0.04 -0.09 0.00 1.87 0.00 0.00 56.30 58.21 2jpo h ASN 53 Cb 0.12 -0.05 0.01 0.00 0.27 0.00 0.00 38.32 38.67 2jpo h ASN 53 CO -0.16 0.21 -0.32 0.00 -0.37 0.00 0.00 177.43 176.78 2jpo h LEU 55 N -0.34 0.38 0.00 0.00 -0.00 -0.60 -2.69 115.31 112.06 2jpo h LEU 55 Ca -0.04 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2jpo h LEU 55 Cb 1.04 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.65 2jpo h LEU 55 CO 0.06 0.18 0.00 0.00 -0.00 0.00 0.00 178.44 178.69 2jpo n ALA 56 N -2.53 2.11 -1.06 1.53 0.00 -0.84 -0.86 120.51 118.86 2jpo n ALA 56 Ca 0.16 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.58 2jpo n ALA 56 Cb 0.59 -1.37 0.10 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.39 1.47 -1.82 0.00 5.66 -1.02 -4.67 114.28 112.50 2jpo n THR 57 Ca 0.08 -1.74 -0.18 0.00 -3.05 0.00 0.00 64.05 59.16 2jpo n THR 57 Cb 0.22 -0.01 0.08 0.00 -1.55 0.00 0.00 70.33 69.06 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 -1.09 2.99 0.28 1.09 5.02 -0.04 -4.84 118.16 121.58 2jpo n LYS 58 Ca 0.11 -3.84 0.14 0.00 -2.02 0.00 0.00 58.31 52.71 2jpo n LYS 58 Cb 0.60 -2.12 0.81 0.00 -0.02 0.00 0.00 35.03 34.30 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 1.84 0.00 0.00 -0.35 -0.00 -1.83 0.12 115.31 115.09 2jpo h LEU 59 Ca 0.31 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 58.12 2jpo h LEU 59 Cb 1.39 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.04 2jpo h LEU 59 CO 0.67 0.08 -0.47 -0.78 -0.00 0.00 0.00 178.44 177.94 2jpo h ASP 60 N 0.00 0.00 0.10 -0.43 3.58 -1.85 -1.12 116.42 116.69 2jpo h ASP 60 Ca -0.00 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.26 2jpo h ASP 60 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2jpo h ASP 60 CO 0.01 0.31 -0.92 0.58 -2.88 0.00 0.00 179.24 176.33 2jpo h VAL 61 N 0.00 1.34 -0.10 2.25 2.07 -1.56 -3.01 116.25 117.24 2jpo h VAL 61 Ca -0.02 -2.43 -0.18 0.00 0.82 0.00 0.00 66.70 64.89 2jpo h VAL 61 Cb 1.25 2.98 -0.00 0.00 -1.52 0.00 0.00 31.29 34.00 2jpo h VAL 61 CO 0.04 0.66 -0.69 1.62 0.02 0.00 0.00 177.57 179.22 2jpo h VAL 62 N -0.51 1.36 -2.23 2.57 3.04 -0.89 -3.40 116.25 116.18 2jpo h VAL 62 Ca -0.19 -2.05 -0.55 0.00 -1.01 0.00 0.00 66.70 62.90 2jpo h VAL 62 Cb 1.55 2.02 -0.36 0.00 -2.01 0.00 0.00 31.29 32.49 2jpo h VAL 62 CO 0.06 0.62 -0.93 -0.62 -1.01 0.00 0.00 177.57 175.69 2jpo s ASP 63 N -6.96 1.13 0.00 3.17 2.15 -0.43 -3.14 116.67 112.59 2jpo s ASP 63 Ca -0.06 -2.94 0.18 0.00 0.43 0.00 0.00 52.55 50.16 2jpo s ASP 63 Cb 0.11 -0.21 0.92 0.00 -0.30 0.00 0.00 42.92 43.43 2jpo s ASP 63 CO 0.84 -0.16 1.56 -0.81 -0.17 0.00 0.00 175.17 176.43 2jpo n PRO 64 N 2.86 0.24 -0.06 4.34 -0.04 -1.14 -1.51 135.00 139.70 2jpo n PRO 64 Ca 0.29 0.12 0.12 0.00 -0.04 0.00 0.00 63.50 63.99 2jpo n PRO 64 Cb 0.49 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 32.97 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 0.31 0.00 3.54 3.32 -1.92 -3.46 116.42 118.21 2jpo h ASP 65 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2jpo h ASP 65 Cb 0.18 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2jpo h ASP 65 CO 0.00 0.19 0.00 0.61 -1.72 0.00 0.00 179.24 178.32 2jpo n GLY 66 N -1.53 0.88 0.12 2.75 0.00 -0.57 -4.99 105.19 101.84 2jpo n GLY 66 Ca 0.09 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 2jpo n GLY 66 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2jpo h ASN 67 N 0.00 0.43 -3.12 1.61 2.35 -1.91 -3.44 115.58 111.50 2jpo h ASN 67 Ca 0.00 -0.82 -0.54 0.00 -0.55 0.00 0.00 56.30 54.39 2jpo h ASN 67 Cb 0.00 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.24 2jpo h ASN 67 CO 0.00 1.21 0.63 -0.22 -1.65 0.00 0.00 177.43 177.39 2jpo s LEU 68 N -8.25 4.36 0.22 1.61 2.96 -1.26 -4.01 118.68 114.31 2jpo s LEU 68 Ca -0.14 2.07 0.03 0.00 -0.22 0.00 0.00 54.13 55.87 2jpo s LEU 68 Cb 0.02 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.08 2jpo s LEU 68 CO 0.80 -0.54 0.01 -1.00 -1.32 0.00 0.00 176.35 174.31 2jpo s HIS 69 N 1.26 1.46 0.19 5.38 3.76 0.03 -4.73 115.29 122.63 2jpo s HIS 69 Ca 0.60 -0.98 -0.33 0.00 -0.15 0.00 0.00 55.06 54.20 2jpo s HIS 69 Cb -0.31 -0.85 -0.15 0.00 1.11 0.00 0.00 32.58 32.39 2jpo s HIS 69 CO 0.29 -0.12 1.35 1.58 -0.85 0.00 0.00 174.74 176.98 2jpo n HIS 70 N -0.38 1.84 -1.17 1.40 -0.00 -1.26 -0.99 115.22 114.66 2jpo n HIS 70 Ca -0.05 0.51 -0.06 0.00 0.46 0.00 0.00 57.72 58.58 2jpo n HIS 70 Cb 0.64 -2.40 -0.03 0.00 -0.12 0.00 0.00 29.99 28.08 2jpo n HIS 70 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2jpo n GLY 71 N 2.33 0.67 2.58 1.57 0.00 0.49 -4.91 105.19 107.93 2jpo n GLY 71 Ca 0.14 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.74 -2.06 -0.52 1.61 5.15 -0.16 -4.92 115.26 113.62 2jpo n ASN 72 Ca -0.06 -2.79 0.13 0.00 -0.60 0.00 0.00 54.58 51.26 2jpo n ASN 72 Cb 0.45 0.80 0.47 0.00 -0.53 0.00 0.00 39.78 40.97 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 2.52 2.56 -0.03 5.20 0.00 -1.26 -0.79 120.51 128.70 2jpo n ALA 73 Ca 0.20 -0.48 -0.13 0.00 0.00 0.00 0.00 53.44 53.03 2jpo n ALA 73 Cb 0.54 -1.13 -0.11 0.00 0.00 0.00 0.00 19.45 18.75 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 2.42 -0.01 0.00 0.00 3.64 -1.91 0.46 116.57 121.17 2jpo h LYS 74 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2jpo h LYS 74 Cb 0.52 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2jpo h LYS 74 CO 0.00 0.66 -0.19 -0.44 -2.27 0.00 0.00 179.45 177.21 2jpo h ASP 75 N -0.69 0.00 0.29 4.20 3.32 -1.83 -0.17 116.42 121.54 2jpo h ASP 75 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2jpo h ASP 75 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 2jpo h ASP 75 CO 0.00 0.19 -0.14 0.15 -1.72 0.00 0.00 179.24 177.72 2jpo h PHE 76 N 0.00 -0.36 -0.69 4.55 3.57 -1.59 -1.01 116.94 121.41 2jpo h PHE 76 Ca -0.00 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.57 2jpo h PHE 76 Cb 0.46 0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.26 2jpo h PHE 76 CO 0.00 -0.10 0.35 0.00 -2.23 0.00 0.00 178.31 176.33 2jpo h ALA 77 N 0.09 0.94 -0.56 2.41 0.00 -0.31 -1.83 119.26 119.99 2jpo h ALA 77 Ca -0.04 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2jpo h ALA 77 Cb 0.42 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2jpo h ALA 77 CO 0.06 -0.02 0.30 0.52 0.00 0.00 0.00 179.25 180.12 2jpo h MET 78 N 0.63 0.57 -0.59 0.00 2.86 -0.90 -0.89 114.93 116.61 2jpo h MET 78 Ca 0.33 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 2jpo h MET 78 Cb 0.30 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2jpo h MET 78 CO -0.24 0.38 0.00 1.63 1.06 0.00 0.00 176.91 179.74 2jpo n LYS 79 N -4.83 2.19 0.00 1.72 4.76 -0.40 -3.95 118.16 117.65 2jpo n LYS 79 Ca 0.05 -1.20 0.00 0.00 -2.87 0.00 0.00 58.31 54.29 2jpo n LYS 79 Cb 0.13 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 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 0.32 0.00 0.00 2.13 8.25 -0.45 -5.02 115.22 120.44 2jpo n HIS 80 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 2jpo n HIS 80 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 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 0.47 -0.31 3.97 -1.41 0.00 -0.55 -4.98 105.19 102.38 2jpo n GLY 81 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 4.43 0.44 4.61 0.00 -0.60 -5.03 121.76 125.61 2jpo s ALA 82 Ca 0.00 -1.80 0.04 0.00 0.00 0.00 0.00 51.96 50.20 2jpo s ALA 82 Cb 0.00 -1.35 -0.05 0.00 0.00 0.00 0.00 23.12 21.72 2jpo s ALA 82 CO 0.00 -0.40 0.02 -0.51 0.00 0.00 0.00 175.76 174.87 2jpo s ASP 83 N -4.35 3.78 0.42 0.00 1.01 -1.26 -4.25 116.67 112.02 2jpo s ASP 83 Ca 0.53 -1.51 0.24 0.00 0.71 0.00 0.00 52.55 52.52 2jpo s ASP 83 Cb -0.07 0.07 1.25 0.00 1.01 0.00 0.00 42.92 45.18 2jpo s ASP 83 CO 0.32 -0.66 1.73 -0.33 0.21 0.00 0.00 175.17 176.44 2jpo h GLU 84 N 1.63 0.25 0.58 8.23 5.08 -1.96 0.17 114.58 128.56 2jpo h GLU 84 Ca -0.43 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 2jpo h GLU 84 Cb 1.27 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2jpo h GLU 84 CO 0.76 0.17 -0.31 1.15 -1.00 0.00 0.00 179.01 179.77 2jpo h THR 85 N 0.26 0.00 0.19 1.13 2.02 -1.98 0.47 112.91 114.99 2jpo h THR 85 Ca 0.66 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.83 2jpo h THR 85 Cb 1.91 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 2jpo h THR 85 CO -0.30 0.00 -0.09 0.24 0.37 0.00 0.00 175.52 175.74 2jpo h MET 86 N -0.82 -0.24 -0.57 6.66 2.86 -1.61 0.21 114.93 121.41 2jpo h MET 86 Ca -0.08 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2jpo h MET 86 Cb 0.64 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 2jpo h MET 86 CO 0.11 -0.14 0.36 0.00 1.06 0.00 0.00 176.91 178.30 2jpo h ALA 87 N 0.54 1.56 -0.27 6.32 0.00 -0.79 0.83 119.26 127.45 2jpo h ALA 87 Ca -0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 2jpo h ALA 87 Cb 0.21 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2jpo h ALA 87 CO 0.04 0.39 -0.32 0.37 0.00 0.00 0.00 179.25 179.74 2jpo h GLN 88 N 0.78 0.70 -0.09 0.00 5.75 -0.61 -2.52 115.11 119.11 2jpo h GLN 88 Ca 0.21 -0.38 0.04 0.00 -0.15 0.00 0.00 58.65 58.36 2jpo h GLN 88 Cb -0.06 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.46 2jpo h GLN 88 CO -0.04 1.00 -0.22 1.96 -2.65 0.00 0.00 178.83 178.88 2jpo h GLN 89 N 0.43 -0.28 -0.19 1.69 4.20 0.99 -0.49 115.11 121.45 2jpo h GLN 89 Ca 0.04 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.82 2jpo h GLN 89 Cb 0.89 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.67 2jpo h GLN 89 CO 0.08 -0.19 -0.32 -0.07 -0.67 0.00 0.00 178.83 177.66 2jpo h LEU 90 N -0.29 -1.01 -1.20 1.46 4.07 -0.95 0.13 115.31 117.51 2jpo h LEU 90 Ca 0.09 0.15 0.09 0.00 0.08 0.00 0.00 57.88 58.29 2jpo h LEU 90 Cb 0.42 0.44 -0.06 0.00 1.08 0.00 0.00 40.66 42.54 2jpo h LEU 90 CO -0.26 -0.35 0.57 0.58 -1.08 0.00 0.00 178.44 177.90 2jpo h VAL 91 N -0.36 1.00 0.00 1.22 2.07 -1.24 -0.72 116.25 118.21 2jpo h VAL 91 Ca 0.11 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2jpo h VAL 91 Cb 0.54 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2jpo h VAL 91 CO -0.39 0.17 0.00 -0.78 0.02 0.00 0.00 177.57 176.59 2jpo h ASP 92 N 0.91 0.00 0.05 0.57 3.58 0.64 0.38 116.42 122.55 2jpo h ASP 92 Ca 0.40 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.85 2jpo h ASP 92 Cb 0.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.39 2jpo h ASP 92 CO -0.16 0.00 -0.02 0.40 -2.88 0.00 0.00 179.24 176.57 2jpo h ILE 93 N 0.00 1.29 -0.31 2.25 2.04 0.64 -1.91 117.51 121.50 2jpo h ILE 93 Ca 0.00 -1.57 -0.16 0.00 1.00 0.00 0.00 64.86 64.13 2jpo h ILE 93 Cb 0.60 2.26 -0.00 0.00 -0.74 0.00 0.00 36.82 38.94 2jpo h ILE 93 CO 0.00 0.37 -0.44 -0.29 0.00 0.00 0.00 178.15 177.79 2jpo h ILE 94 N -0.82 1.28 0.00 -0.67 6.09 -1.12 0.11 117.51 122.38 2jpo h ILE 94 Ca -0.01 -1.62 -0.02 0.00 -1.37 0.00 0.00 64.86 61.84 2jpo h ILE 94 Cb 0.66 1.56 -0.00 0.00 0.47 0.00 0.00 36.82 39.50 2jpo h ILE 94 CO 0.01 0.53 -0.12 0.45 -3.07 0.00 0.00 178.15 175.95 2jpo h HIS 95 N 0.63 0.00 0.73 2.19 3.86 -1.09 0.11 115.15 121.59 2jpo h HIS 95 Ca 0.03 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 2jpo h HIS 95 Cb 1.04 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.51 2jpo h HIS 95 CO 0.07 0.12 -0.35 0.78 0.86 0.00 0.00 177.93 179.41 2jpo h GLY 96 N 0.87 -1.03 0.99 2.45 0.00 -0.43 -3.30 103.07 102.62 2jpo h GLY 96 Ca -0.00 0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 2jpo h GLY 96 CO 0.02 -0.37 0.32 0.00 0.00 0.00 0.00 176.54 176.50 2jpo h GLU 98 N 0.80 1.24 0.09 0.00 -0.00 -0.93 -0.56 114.58 115.22 2jpo h GLU 98 Ca 0.21 -0.11 -0.28 0.00 -0.00 0.00 0.00 59.36 59.18 2jpo h GLU 98 Cb 0.05 -0.26 -0.01 0.00 -0.00 0.00 0.00 28.75 28.53 2jpo h GLU 98 CO -0.03 0.86 -1.38 -0.22 -0.00 0.00 0.00 179.01 178.24 2jpo h LYS 99 N 1.27 0.19 -0.00 1.06 3.11 -1.61 -3.27 116.57 117.32 2jpo h LYS 99 Ca 0.33 -0.33 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2jpo h LYS 99 Cb -0.07 0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.28 2jpo h LYS 99 CO -0.06 1.07 -0.07 0.43 -2.81 0.00 0.00 179.45 178.00 2jpo n SER 100 N -3.42 0.20 -4.39 4.20 7.64 -0.59 -4.97 113.62 112.29 2jpo n SER 100 Ca -0.12 -0.21 -0.38 0.00 1.01 0.00 0.00 58.87 59.17 2jpo n SER 100 Cb 1.02 -0.21 0.03 0.00 -1.01 0.00 0.00 64.21 64.04 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 -1.21 -1.84 -0.94 -0.43 0.00 -0.25 -4.97 120.51 110.87 2jpo n ALA 101 Ca 0.13 -0.03 -0.29 0.00 0.00 0.00 0.00 53.44 53.25 2jpo n ALA 101 Cb 0.28 -1.68 0.19 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.69 0.19 -0.94 0.00 0.04 -1.26 -4.88 135.00 126.46 2jpo s PRO 102 Ca 0.64 0.76 -0.24 0.00 0.04 0.00 0.00 61.00 62.20 2jpo s PRO 102 Cb -0.47 -1.69 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 2jpo s PRO 102 CO 0.59 -2.96 1.94 -1.25 0.04 0.00 0.00 177.00 175.36 2jpo s PRO 103 N -4.77 2.55 -0.42 0.56 0.04 -1.26 -4.74 135.00 126.97 2jpo s PRO 103 Ca 0.66 -0.40 0.06 0.00 0.04 0.00 0.00 61.00 61.36 2jpo s PRO 103 Cb -0.21 -5.09 0.18 0.00 0.04 0.00 0.00 34.50 29.43 2jpo s PRO 103 CO 0.60 -3.45 0.68 1.21 0.04 0.00 0.00 177.00 176.08 2jpo s ASN 104 N 7.83 -1.41 -0.32 6.66 2.47 -1.26 -5.12 114.94 123.78 2jpo s ASN 104 Ca 0.70 -0.84 -0.19 0.00 0.42 0.00 0.00 52.86 52.95 2jpo s ASN 104 Cb -0.06 1.81 -0.01 0.00 -1.45 0.00 0.00 41.25 41.54 2jpo s ASN 104 CO 0.01 -0.14 0.55 -1.81 -3.72 0.00 0.00 177.10 171.99 2jpo s ASP 105 N 1.73 6.39 0.29 -4.21 1.01 -1.26 -4.12 116.67 116.50 2jpo s ASP 105 Ca 0.18 0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.64 2jpo s ASP 105 Cb -0.03 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.61 2jpo s ASP 105 CO -0.07 -0.45 0.37 -0.67 0.21 0.00 0.00 175.17 174.55 2jpo n ASP 106 N 5.77 -1.02 -0.06 0.27 2.03 -1.26 -4.92 116.55 117.36 2jpo n ASP 106 Ca -0.03 -2.61 -0.11 0.00 0.52 0.00 0.00 54.79 52.55 2jpo n ASP 106 Cb 0.49 1.96 -0.10 0.00 -0.72 0.00 0.00 41.12 42.75 2jpo n ASP 106 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 2jpo h LYS 107 N 0.00 -0.01 0.00 -0.67 2.10 -1.99 -3.36 116.57 112.64 2jpo h LYS 107 Ca -0.22 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.42 2jpo h LYS 107 Cb 0.98 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.31 2jpo h LYS 107 CO 0.30 0.74 -0.06 0.00 -2.00 0.00 0.00 179.45 178.44 2jpo h MET 109 N -1.00 -0.53 -0.39 0.00 2.86 -1.87 -1.55 114.93 112.45 2jpo h MET 109 Ca -0.02 0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.74 2jpo h MET 109 Cb 0.90 0.12 -0.09 0.00 0.06 0.00 0.00 31.60 32.59 2jpo h MET 109 CO -0.01 -0.34 -0.21 -0.22 1.06 0.00 0.00 176.91 177.19 2jpo h LYS 110 N -0.56 -0.14 -0.90 1.72 1.63 -1.72 -0.71 116.57 115.90 2jpo h LYS 110 Ca -0.06 0.01 0.15 0.00 -0.85 0.00 0.00 60.65 59.91 2jpo h LYS 110 Cb 0.43 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 32.02 2jpo h LYS 110 CO 0.09 -0.09 0.58 1.15 -3.45 0.00 0.00 179.45 177.73 2jpo h THR 111 N -0.14 0.81 -0.32 1.00 2.02 -1.34 -0.09 112.91 114.85 2jpo h THR 111 Ca 0.19 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2jpo h THR 111 Cb 0.44 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2jpo h THR 111 CO -0.48 0.12 0.21 0.40 0.37 0.00 0.00 175.52 176.14 2jpo h ILE 112 N 0.66 1.08 -0.42 3.11 2.04 -0.12 0.11 117.51 123.96 2jpo h ILE 112 Ca 0.46 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 66.12 2jpo h ILE 112 Cb 0.79 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 2jpo h ILE 112 CO -0.21 0.08 0.08 0.44 0.00 0.00 0.00 178.15 178.54 2jpo h ASP 113 N 0.43 0.66 -0.10 1.72 3.32 -0.75 0.15 116.42 121.85 2jpo h ASP 113 Ca 0.12 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 2jpo h ASP 113 Cb -0.04 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 2jpo h ASP 113 CO -0.03 0.74 -0.07 0.58 -1.72 0.00 0.00 179.24 178.74 2jpo h VAL 114 N 0.55 1.34 -0.68 -1.35 2.07 -1.03 -1.09 116.25 116.05 2jpo h VAL 114 Ca 0.13 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 2jpo h VAL 114 Cb 0.35 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 2jpo h VAL 114 CO 0.01 0.33 0.38 0.00 0.02 0.00 0.00 177.57 178.31 2jpo h ALA 115 N 0.61 0.88 -0.35 1.67 0.00 -0.69 -0.67 119.26 120.70 2jpo h ALA 115 Ca 0.02 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2jpo h ALA 115 Cb 0.55 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2jpo h ALA 115 CO 0.02 0.38 -0.33 0.00 0.00 0.00 0.00 179.25 179.32 2jpo h MET 116 N 0.94 0.79 -0.65 0.00 -0.00 -0.70 -2.45 114.93 112.86 2jpo h MET 116 Ca 0.24 -0.38 0.06 0.00 -0.00 0.00 0.00 59.70 59.63 2jpo h MET 116 Cb 0.03 -0.01 -0.06 0.00 -0.00 0.00 0.00 31.60 31.56 2jpo h MET 116 CO -0.04 1.00 0.35 0.00 -0.00 0.00 0.00 176.91 178.22 2jpo h PHE 118 N 0.64 -0.71 -0.17 0.00 3.04 -0.76 0.54 116.94 119.51 2jpo h PHE 118 Ca 0.30 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.27 2jpo h PHE 118 Cb 0.21 0.32 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 2jpo h PHE 118 CO -0.09 -0.36 0.11 -0.22 -2.02 0.00 0.00 178.31 175.74 2jpo h LYS 119 N -0.41 0.23 0.09 1.11 3.64 -0.92 -1.29 116.57 119.02 2jpo h LYS 119 Ca 0.06 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2jpo h LYS 119 Cb 0.49 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2jpo h LYS 119 CO -0.23 0.15 -0.05 0.87 -2.27 0.00 0.00 179.45 177.92 2jpo h LYS 120 N 0.23 -0.12 0.00 1.90 6.56 0.22 -3.20 116.57 122.16 2jpo h LYS 120 Ca 0.06 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 2jpo h LYS 120 Cb -0.03 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2jpo h LYS 120 CO -0.01 0.12 0.00 0.39 -2.06 0.00 0.00 179.45 177.89 2jpo n GLU 121 N -5.04 0.01 0.06 3.15 -0.58 0.05 -0.80 120.64 117.49 2jpo n GLU 121 Ca -0.08 0.39 0.18 0.00 -0.42 0.00 0.00 57.16 57.23 2jpo n GLU 121 Cb 0.17 -1.53 0.70 0.00 -0.57 0.00 0.00 31.44 30.21 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 0.73 0.00 -3.67 1.08 -1.41 -0.13 117.51 114.11 2jpo h ILE 122 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2jpo h ILE 122 Cb 0.13 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 34.65 2jpo h ILE 122 CO 0.00 0.00 0.07 0.45 -0.69 0.00 0.00 178.15 177.98 2jpo h HIS 123 N 0.00 0.00 -0.18 1.37 3.86 -1.18 -1.93 115.15 117.09 2jpo h HIS 123 Ca 0.20 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 2jpo h HIS 123 Cb 0.83 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.30 2jpo h HIS 123 CO 0.00 0.00 0.00 0.36 0.86 0.00 0.00 177.93 179.15 2jpo n LYS 124 N -2.54 2.56 -0.10 2.45 -0.00 -0.06 -4.52 118.16 115.95 2jpo n LYS 124 Ca -0.02 -2.35 -0.15 0.00 -0.00 0.00 0.00 58.31 55.79 2jpo n LYS 124 Cb 0.12 -1.48 -0.09 0.00 -0.00 0.00 0.00 35.03 33.58 2jpo n LYS 124 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2jpo n LEU 125 N -0.45 2.72 0.00 -5.58 4.77 -0.73 -5.04 117.00 112.69 2jpo n LEU 125 Ca 0.14 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2jpo n LEU 125 Cb 0.61 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2jpo n LEU 125 CO 0.08 0.77 0.00 0.59 -1.33 0.00 0.00 177.39 177.49 2jpo n ASN 126 N -3.23 0.00 -3.46 -1.43 5.03 -1.18 -4.99 115.26 106.00 2jpo n ASN 126 Ca -0.36 0.00 -0.16 0.00 0.87 0.00 0.00 54.58 54.93 2jpo n ASN 126 Cb 0.86 0.00 0.09 0.00 -1.02 0.00 0.00 39.78 39.71 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 -0.89 -3.42 -3.82 3.10 4.27 -1.26 -5.09 117.44 110.33 2jpo n TRP 127 Ca 0.00 -0.98 -0.28 0.00 -3.89 0.00 0.00 57.50 52.35 2jpo n TRP 127 Cb 0.00 -0.53 -0.16 0.00 -1.36 0.00 0.00 31.31 29.26 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 -2.20 0.89 0.89 -1.67 1.01 -1.26 -4.93 120.40 113.12 2jpo s VAL 128 Ca 0.44 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 2jpo s VAL 128 Cb -0.02 -1.24 0.13 0.00 0.00 0.00 0.00 36.38 35.25 2jpo s VAL 128 CO 0.30 -0.08 1.12 -2.84 0.00 0.00 0.00 175.10 173.60 2jpo s PRO 129 N 1.70 1.24 0.97 2.72 0.02 -1.26 -5.03 135.00 135.36 2jpo s PRO 129 Ca -0.01 1.34 -0.11 0.00 0.02 0.00 0.00 61.00 62.24 2jpo s PRO 129 Cb -0.17 -1.77 0.15 0.00 0.02 0.00 0.00 34.50 32.74 2jpo s PRO 129 CO -0.07 -2.41 1.01 0.09 -0.33 0.00 0.00 177.00 175.28 2jpo n ASN 130 N -4.06 -0.34 -0.22 2.53 3.02 -1.26 -4.88 115.26 110.05 2jpo n ASN 130 Ca 0.10 0.31 -0.03 0.00 -0.03 0.00 0.00 54.58 54.93 2jpo n ASN 130 Cb 0.53 -1.40 0.07 0.00 -0.61 0.00 0.00 39.78 38.37 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 -1.98 0.68 0.06 3.52 2.86 -1.95 -2.77 114.93 115.34 2jpo h MET 131 Ca -0.46 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.16 2jpo h MET 131 Cb 1.28 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.75 2jpo h MET 131 CO 0.41 0.45 -0.24 -0.44 1.06 0.00 0.00 176.91 178.16 2jpo h ASP 132 N 0.70 -0.68 -0.66 1.22 3.32 -1.98 -1.98 116.42 116.37 2jpo h ASP 132 Ca 0.27 0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.47 2jpo h ASP 132 Cb 0.10 0.27 -0.10 0.00 0.22 0.00 0.00 39.33 39.82 2jpo h ASP 132 CO -0.14 -0.31 -0.56 -0.07 -1.72 0.00 0.00 179.24 176.44 2jpo h LEU 133 N -0.40 -1.95 -1.17 1.55 4.07 -1.87 0.11 115.31 115.64 2jpo h LEU 133 Ca 0.04 0.28 0.02 0.00 0.08 0.00 0.00 57.88 58.30 2jpo h LEU 133 Cb 0.45 0.83 -0.04 0.00 1.08 0.00 0.00 40.66 42.98 2jpo h LEU 133 CO -0.17 -0.32 0.56 0.58 -1.08 0.00 0.00 178.44 178.02 2jpo h VAL 134 N -0.22 1.20 0.35 1.22 2.07 -1.19 -3.09 116.25 116.59 2jpo h VAL 134 Ca 0.11 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2jpo h VAL 134 Cb 0.50 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2jpo h VAL 134 CO -0.73 0.21 -0.17 0.40 0.02 0.00 0.00 177.57 177.30 2jpo h ILE 135 N 1.13 0.26 -0.95 4.57 2.04 -0.59 -3.30 117.51 120.67 2jpo h ILE 135 Ca 0.32 -0.72 0.37 0.00 1.00 0.00 0.00 64.86 65.83 2jpo h ILE 135 Cb -0.09 0.43 -0.17 0.00 -0.74 0.00 0.00 36.82 36.25 2jpo h ILE 135 CO -0.08 0.06 0.42 0.61 0.00 0.00 0.00 178.15 179.17 2jpo n GLY 136 N 0.35 -0.82 0.22 5.37 0.00 0.29 -1.74 105.19 108.86 2jpo n GLY 136 Ca -0.07 0.80 -0.14 0.00 0.00 0.00 0.00 46.02 46.60 2jpo n GLY 136 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jpo h GLU 137 N 0.00 -0.45 -0.67 1.61 4.39 -1.62 -1.54 114.58 116.30 2jpo h GLU 137 Ca 0.76 0.03 0.06 0.00 0.34 0.00 0.00 59.36 60.55 2jpo h GLU 137 Cb 1.95 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 30.65 2jpo h GLU 137 CO -0.76 -0.16 0.38 -0.24 -1.16 0.00 0.00 179.01 177.07 2jpo h VAL 138 N -0.74 0.98 -0.03 3.13 3.04 -1.44 -0.39 116.25 120.80 2jpo h VAL 138 Ca -0.05 -0.24 0.01 0.00 -1.01 0.00 0.00 66.70 65.41 2jpo h VAL 138 Cb 0.50 0.22 -0.00 0.00 -2.01 0.00 0.00 31.29 30.00 2jpo h VAL 138 CO 0.08 0.13 0.03 -0.07 -1.01 0.00 0.00 177.57 176.73 2jpo h LEU 139 N 0.70 0.00 0.11 3.16 3.38 -1.27 0.43 115.31 121.82 2jpo h LEU 139 Ca 0.30 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.95 2jpo h LEU 139 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2jpo h LEU 139 CO -0.17 0.00 -1.63 0.00 0.09 0.00 0.00 178.44 176.73 2jpo h ALA 140 N 1.97 0.35 0.13 1.53 0.00 -0.12 -3.40 119.26 119.71 2jpo h ALA 140 Ca 0.01 -1.19 -0.30 0.00 0.00 0.00 0.00 54.91 53.44 2jpo h ALA 140 Cb 0.07 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2jpo h ALA 140 CO -0.00 1.21 -1.42 1.49 0.00 0.00 0.00 179.25 180.53 2jpo h GLU 141 N 0.06 0.28 0.00 0.00 4.57 -0.38 0.14 114.58 119.26 2jpo h GLU 141 Ca -0.28 -0.48 0.00 0.00 -1.18 0.00 0.00 59.36 57.42 2jpo h GLU 141 Cb 2.02 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 30.79 2jpo h GLU 141 CO 0.14 1.18 0.00 0.28 -1.18 0.00 0.00 179.01 179.44