#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 4.14 0.00 4.33 0.04 -1.26 -4.91 135.00 137.35 2jpo s PRO 2 Ca 0.00 1.92 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2jpo s PRO 2 Cb 0.00 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.75 2jpo s PRO 2 CO 0.00 -0.27 0.00 0.39 0.04 0.00 0.00 177.00 177.16 2jpo n GLU 3 N 0.28 0.60 -3.30 4.56 4.71 -1.26 -5.06 120.64 121.18 2jpo n GLU 3 Ca 0.03 0.00 -0.18 0.00 -0.01 0.00 0.00 57.16 57.00 2jpo n GLU 3 Cb 0.45 -0.58 -0.03 0.00 -1.01 0.00 0.00 31.44 30.28 2jpo n GLU 3 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 2jpo n ILE 4 N -0.74 -0.21 -1.33 -3.67 -5.35 -1.26 -4.85 119.36 101.96 2jpo n ILE 4 Ca 0.00 0.00 -0.38 0.00 -0.27 0.00 0.00 62.75 62.10 2jpo n ILE 4 Cb 0.08 -0.57 -0.02 0.00 -1.74 0.00 0.00 39.64 37.38 2jpo n ILE 4 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 2jpo n MET 5 N -3.23 2.99 -3.43 6.28 2.81 -1.26 -4.51 117.12 116.77 2jpo n MET 5 Ca 0.03 -2.17 -0.35 0.00 -1.81 0.00 0.00 57.70 53.40 2jpo n MET 5 Cb 0.50 -2.90 0.04 0.00 -0.71 0.00 0.00 33.22 30.14 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 4.75 -1.93 -3.58 0.03 5.02 -1.26 -4.99 118.16 116.19 2jpo n LYS 6 Ca 0.63 1.48 -0.29 0.00 -2.02 0.00 0.00 58.31 58.11 2jpo n LYS 6 Cb 0.28 -2.37 -0.14 0.00 -0.02 0.00 0.00 35.03 32.78 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 -1.56 3.45 -0.23 4.39 0.01 -1.26 -4.94 114.94 114.80 2jpo s ASN 7 Ca 0.36 -1.94 -0.05 0.00 -0.71 0.00 0.00 52.86 50.52 2jpo s ASN 7 Cb -0.04 -0.60 0.01 0.00 0.41 0.00 0.00 41.25 41.02 2jpo s ASN 7 CO 0.84 -0.35 0.10 0.18 -1.51 0.00 0.00 177.10 176.36 2jpo n LEU 8 N 4.41 -0.04 0.08 0.60 4.32 -1.26 -4.70 117.00 120.40 2jpo n LEU 8 Ca 0.04 -0.24 0.00 0.00 -0.02 0.00 0.00 56.01 55.79 2jpo n LEU 8 Cb 0.39 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 2jpo n LEU 8 CO 0.13 0.14 0.00 -1.20 -1.22 0.00 0.00 177.39 175.24 2jpo n SER 9 N 0.28 0.57 0.07 -1.43 7.64 -1.26 -4.67 113.62 114.82 2jpo n SER 9 Ca -0.03 0.24 -0.11 0.00 1.01 0.00 0.00 58.87 59.98 2jpo n SER 9 Cb 0.10 -0.06 -0.05 0.00 -1.01 0.00 0.00 64.21 63.20 2jpo n SER 9 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2jpo h ASN 10 N 0.00 -0.53 -0.19 6.43 2.35 -1.95 -0.31 115.58 121.38 2jpo h ASN 10 Ca 0.00 0.07 0.04 0.00 -0.55 0.00 0.00 56.30 55.86 2jpo h ASN 10 Cb 0.00 0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.54 2jpo h ASN 10 CO 0.00 -0.25 -0.09 -0.55 -1.65 0.00 0.00 177.43 174.89 2jpo h ASN 11 N -0.32 -0.29 -0.00 5.81 7.08 -1.85 -0.45 115.58 125.56 2jpo h ASN 11 Ca 0.05 0.07 0.03 0.00 -3.08 0.00 0.00 56.30 53.36 2jpo h ASN 11 Cb 0.37 0.17 -0.03 0.00 -2.08 0.00 0.00 38.32 36.74 2jpo h ASN 11 CO -0.15 -0.11 -0.17 0.15 -2.08 0.00 0.00 177.43 175.06 2jpo h PHE 12 N -0.06 -0.45 0.00 4.14 3.04 -1.38 -0.83 116.94 121.39 2jpo h PHE 12 Ca 0.10 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.01 2jpo h PHE 12 Cb 0.22 0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 2jpo h PHE 12 CO -0.24 -0.25 -0.28 0.78 -2.02 0.00 0.00 178.31 176.30 2jpo h GLY 13 N -0.28 0.00 0.91 2.40 0.00 -1.08 -2.80 103.07 102.22 2jpo h GLY 13 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 2jpo h GLY 13 CO -0.17 0.00 -0.44 1.70 0.00 0.00 0.00 176.54 177.63 2jpo h LYS 14 N 0.00 -1.18 -0.19 4.80 3.64 0.03 -1.31 116.57 122.36 2jpo h LYS 14 Ca -0.00 0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2jpo h LYS 14 Cb 0.81 0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 2jpo h LYS 14 CO 0.04 -0.79 -0.01 0.00 -2.27 0.00 0.00 179.45 176.41 2jpo h ALA 15 N -1.43 1.63 0.01 5.00 0.00 -1.14 0.37 119.26 123.70 2jpo h ALA 15 Ca -0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2jpo h ALA 15 Cb 0.94 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2jpo h ALA 15 CO 0.20 0.28 -0.00 1.98 0.00 0.00 0.00 179.25 181.70 2jpo h MET 16 N 0.27 -0.01 -0.85 0.00 1.85 -1.46 -2.00 114.93 112.73 2jpo h MET 16 Ca 0.06 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.14 2jpo h MET 16 Cb 0.21 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.20 2jpo h MET 16 CO 0.01 0.01 0.47 0.22 -0.40 0.00 0.00 176.91 177.22 2jpo h ASP 17 N -0.03 1.06 -0.95 1.39 1.82 0.21 0.31 116.42 120.24 2jpo h ASP 17 Ca -0.00 -0.10 0.08 0.00 -0.39 0.00 0.00 57.03 56.62 2jpo h ASP 17 Cb 0.02 -0.27 -0.07 0.00 0.68 0.00 0.00 39.33 39.70 2jpo h ASP 17 CO 0.00 0.85 0.61 1.56 -1.61 0.00 0.00 179.24 180.65 2jpo h GLN 18 N 1.19 1.00 -0.02 0.28 1.08 -0.91 -0.68 115.11 117.05 2jpo h GLN 18 Ca 0.30 -0.06 -0.26 0.00 -1.45 0.00 0.00 58.65 57.18 2jpo h GLN 18 Cb 0.02 -0.23 0.02 0.00 -0.05 0.00 0.00 27.48 27.24 2jpo h GLN 18 CO -0.05 0.66 -1.01 0.00 -0.95 0.00 0.00 178.83 177.48 2jpo n LYS 20 N -3.86 0.00 -0.06 0.00 4.81 0.98 -0.51 118.16 119.52 2jpo n LYS 20 Ca -0.10 0.49 -0.11 0.00 -0.87 0.00 0.00 58.31 57.72 2jpo n LYS 20 Cb 0.87 -1.51 -0.04 0.00 0.02 0.00 0.00 35.03 34.37 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 -1.50 1.44 0.25 3.14 -0.08 -0.34 -2.57 116.55 116.88 2jpo n ASP 21 Ca -0.00 0.24 0.12 0.00 -1.51 0.00 0.00 54.79 53.64 2jpo n ASP 21 Cb 0.01 -0.55 0.61 0.00 2.34 0.00 0.00 41.12 43.53 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 -0.61 0.00 0.00 -0.67 5.08 -0.83 -2.87 114.58 114.67 2jpo h GLU 22 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2jpo h GLU 22 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2jpo h GLU 22 CO -0.12 0.15 -1.31 1.28 -1.00 0.00 0.00 179.01 178.02 2jpo n LEU 23 N -3.42 0.15 -2.88 1.33 4.32 0.33 -5.03 117.00 111.80 2jpo n LEU 23 Ca -0.01 -0.13 -0.19 0.00 -0.02 0.00 0.00 56.01 55.67 2jpo n LEU 23 Cb 0.33 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.19 2jpo n LEU 23 CO 0.31 0.04 0.17 -0.24 -1.22 0.00 0.00 177.39 176.45 2jpo n SER 24 N -1.76 -5.45 -4.73 -1.43 2.88 -1.06 -4.96 113.62 97.11 2jpo n SER 24 Ca -0.01 -0.40 -0.42 0.00 -1.33 0.00 0.00 58.87 56.71 2jpo n SER 24 Cb 0.29 -4.08 -0.03 0.00 -0.75 0.00 0.00 64.21 59.63 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 -5.92 4.38 0.73 2.46 1.43 -1.15 -4.97 118.68 115.64 2jpo s LEU 25 Ca 0.44 2.56 -0.11 0.00 -1.03 0.00 0.00 54.13 55.99 2jpo s LEU 25 Cb -0.19 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.46 2jpo s LEU 25 CO 0.54 -0.73 1.08 -2.16 0.23 0.00 0.00 176.35 175.31 2jpo s PRO 26 N 0.54 2.58 0.62 1.29 0.04 -1.26 -4.79 135.00 134.02 2jpo s PRO 26 Ca 0.64 1.09 0.38 0.00 0.04 0.00 0.00 61.00 63.16 2jpo s PRO 26 Cb -0.41 -1.94 2.05 0.00 0.04 0.00 0.00 34.50 34.24 2jpo s PRO 26 CO 0.36 -1.38 2.26 0.22 0.04 0.00 0.00 177.00 178.49 2jpo h ASP 27 N -0.87 0.00 0.54 6.66 3.58 -1.98 0.30 116.42 124.64 2jpo h ASP 27 Ca -0.44 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 56.99 2jpo h ASP 27 Cb 1.22 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.28 2jpo h ASP 27 CO 0.54 0.02 -0.26 -1.28 -2.88 0.00 0.00 179.24 175.38 2jpo h SER 28 N 0.00 -0.61 -0.23 2.28 0.87 -1.98 0.34 113.55 114.22 2jpo h SER 28 Ca -0.00 -0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.46 2jpo h SER 28 Cb 0.12 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 2jpo h SER 28 CO 0.00 -0.23 -0.03 1.62 -0.53 0.00 0.00 176.83 177.66 2jpo h VAL 29 N -1.07 1.21 -0.12 2.23 3.04 -1.45 0.18 116.25 120.27 2jpo h VAL 29 Ca -0.07 -0.88 -0.02 0.00 -1.01 0.00 0.00 66.70 64.72 2jpo h VAL 29 Cb 0.62 0.98 -0.00 0.00 -2.01 0.00 0.00 31.29 30.88 2jpo h VAL 29 CO 0.12 0.30 -0.01 0.58 -1.01 0.00 0.00 177.57 177.55 2jpo h VAL 30 N 0.53 1.27 -0.72 1.51 2.07 -1.07 0.79 116.25 120.63 2jpo h VAL 30 Ca 0.11 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.77 2jpo h VAL 30 Cb 0.39 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 2jpo h VAL 30 CO 0.02 0.25 0.48 0.00 0.02 0.00 0.00 177.57 178.34 2jpo h ALA 31 N 0.72 1.55 -0.58 1.67 0.00 -0.54 -0.78 119.26 121.30 2jpo h ALA 31 Ca 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2jpo h ALA 31 Cb 0.40 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2jpo h ALA 31 CO 0.01 0.40 0.32 -0.44 0.00 0.00 0.00 179.25 179.53 2jpo h ASP 32 N 0.91 0.72 -0.26 0.00 5.19 -0.24 0.09 116.42 122.84 2jpo h ASP 32 Ca 0.28 -0.09 0.03 0.00 -0.62 0.00 0.00 57.03 56.62 2jpo h ASP 32 Cb -0.01 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 39.29 2jpo h ASP 32 CO -0.07 0.61 0.08 -0.07 -3.12 0.00 0.00 179.24 176.66 2jpo h LEU 33 N 0.78 0.07 0.00 1.55 4.07 -0.13 -0.63 115.31 121.02 2jpo h LEU 33 Ca 0.20 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.19 2jpo h LEU 33 Cb 0.04 0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.81 2jpo h LEU 33 CO -0.03 0.07 0.00 -1.22 -1.08 0.00 0.00 178.44 176.18 2jpo n TYR 34 N -5.05 0.00 -0.01 1.13 4.01 -0.37 -1.46 117.16 115.41 2jpo n TYR 34 Ca -0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.64 2jpo n TYR 34 Cb 0.10 -0.42 -0.14 0.00 -0.31 0.00 0.00 39.34 38.57 2jpo n TYR 34 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 2jpo h ASN 35 N 0.00 0.02 0.07 7.72 2.35 0.32 -3.37 115.58 122.69 2jpo h ASN 35 Ca 0.00 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2jpo h ASN 35 Cb 0.18 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 2jpo h ASN 35 CO 0.00 1.03 -0.07 0.15 -1.65 0.00 0.00 177.43 176.90 2jpo h PHE 36 N 0.00 0.00 0.00 1.19 3.57 -0.02 -1.00 116.94 120.69 2jpo h PHE 36 Ca -0.26 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.22 2jpo h PHE 36 Cb 1.99 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.71 2jpo h PHE 36 CO 0.00 0.07 -0.46 -2.67 -2.23 0.00 0.00 178.31 173.03 2jpo n TRP 37 N -4.41 0.00 0.00 0.41 2.14 -1.25 -4.41 117.44 109.92 2jpo n TRP 37 Ca -0.03 -1.33 0.00 0.00 2.07 0.00 0.00 57.50 58.21 2jpo n TRP 37 Cb 0.15 -0.22 0.00 0.00 -0.81 0.00 0.00 31.31 30.42 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 -1.05 0.00 0.00 -2.67 3.00 -0.38 -5.00 118.16 112.06 2jpo n LYS 38 Ca 0.17 0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.68 2jpo n LYS 38 Cb 0.71 -0.68 0.00 0.00 0.00 0.00 0.00 35.03 35.06 2jpo n LYS 38 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2jpo n ASP 39 N -1.20 0.00 -3.46 3.14 8.00 -1.26 -5.09 116.55 116.68 2jpo n ASP 39 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 2jpo n ASP 39 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 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 -3.26 -0.69 -0.01 -2.24 2.15 -1.26 -5.11 116.67 106.25 2jpo s ASP 40 Ca 0.00 0.97 -0.10 0.00 0.43 0.00 0.00 52.55 53.85 2jpo s ASP 40 Cb 0.00 1.77 0.01 0.00 -0.30 0.00 0.00 42.92 44.40 2jpo s ASP 40 CO 0.00 -0.25 0.20 -0.47 -0.17 0.00 0.00 175.17 174.48 2jpo s TYR 41 N 2.74 -0.05 -0.14 -5.34 5.04 -1.26 -5.05 117.35 113.29 2jpo s TYR 41 Ca 0.06 0.06 0.00 0.00 -2.44 0.00 0.00 57.07 54.75 2jpo s TYR 41 Cb -0.13 0.01 0.03 0.00 0.35 0.00 0.00 41.96 42.21 2jpo s TYR 41 CO -0.17 -0.30 -0.11 0.08 -1.34 0.00 0.00 175.55 173.71 2jpo s VAL 42 N -1.23 1.35 0.69 3.14 1.01 -1.26 -4.79 120.40 119.30 2jpo s VAL 42 Ca -0.13 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 2jpo s VAL 42 Cb -0.06 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.99 2jpo s VAL 42 CO 0.02 0.37 1.06 0.00 0.00 0.00 0.00 175.10 176.56 2jpo s MET 43 N 1.57 2.95 -0.22 2.72 0.23 -1.26 -5.01 119.30 120.28 2jpo s MET 43 Ca 0.04 0.99 0.04 0.00 -1.03 0.00 0.00 55.69 55.73 2jpo s MET 43 Cb -0.13 -1.99 -0.16 0.00 -1.53 0.00 0.00 34.83 31.02 2jpo s MET 43 CO -0.09 -1.09 -0.16 0.25 -2.03 0.00 0.00 175.02 171.89 2jpo n THR 44 N -3.04 1.28 -2.47 3.16 -2.24 -1.26 -5.06 114.28 104.66 2jpo n THR 44 Ca 0.08 -0.53 -0.42 0.00 -2.27 0.00 0.00 64.05 60.91 2jpo n THR 44 Cb 0.53 -1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 67.54 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 -6.05 7.16 0.38 3.42 -1.08 -1.26 -4.92 116.67 114.32 2jpo s ASP 45 Ca -0.27 2.03 0.07 0.00 -0.52 0.00 0.00 52.55 53.85 2jpo s ASP 45 Cb 0.07 -2.59 0.80 0.00 -1.46 0.00 0.00 42.92 39.74 2jpo s ASP 45 CO 0.55 -0.37 1.99 0.08 0.52 0.00 0.00 175.17 177.94 2jpo h ARG 46 N 6.16 0.66 0.00 4.34 0.11 -1.97 -2.57 114.38 121.11 2jpo h ARG 46 Ca -0.43 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 59.60 2jpo h ARG 46 Cb 1.21 -0.15 -0.00 0.00 1.11 0.00 0.00 29.97 32.14 2jpo h ARG 46 CO 0.77 0.43 -0.06 -0.07 0.10 0.00 0.00 179.97 181.15 2jpo h LEU 47 N 0.68 0.00 -0.52 0.08 3.38 -1.96 -1.54 115.31 115.43 2jpo h LEU 47 Ca 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 2jpo h LEU 47 Cb 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2jpo h LEU 47 CO -0.08 0.06 0.32 0.00 0.09 0.00 0.00 178.44 178.83 2jpo h ALA 48 N 1.94 0.66 -0.63 1.53 0.00 -1.79 0.04 119.26 121.02 2jpo h ALA 48 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jpo h ALA 48 Cb 0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2jpo h ALA 48 CO 0.01 0.14 0.41 0.78 0.00 0.00 0.00 179.25 180.58 2jpo h GLY 49 N 0.70 0.89 0.99 0.00 0.00 -1.43 -1.19 103.07 103.03 2jpo h GLY 49 Ca 0.19 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 2jpo h GLY 49 CO -0.04 0.33 0.12 0.00 0.00 0.00 0.00 176.54 176.96 2jpo h ALA 51 N 1.00 0.72 0.10 0.00 0.00 -0.29 -1.27 119.26 119.52 2jpo h ALA 51 Ca 0.17 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2jpo h ALA 51 Cb 0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2jpo h ALA 51 CO 0.00 -0.01 -0.13 0.82 0.00 0.00 0.00 179.25 179.94 2jpo h ILE 52 N 0.60 0.70 0.00 0.00 2.04 -0.87 0.53 117.51 120.52 2jpo h ILE 52 Ca 0.24 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.08 2jpo h ILE 52 Cb 0.10 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2jpo h ILE 52 CO -0.14 0.00 -0.10 -0.55 0.00 0.00 0.00 178.15 177.36 2jpo h ASN 53 N -0.27 0.00 0.14 1.72 7.08 -0.84 0.70 115.58 124.10 2jpo h ASN 53 Ca 0.01 0.00 -0.28 0.00 -3.08 0.00 0.00 56.30 52.96 2jpo h ASN 53 Cb 0.27 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.54 2jpo h ASN 53 CO -0.06 0.10 -1.12 0.00 -2.08 0.00 0.00 177.43 174.27 2jpo h LEU 55 N 0.31 0.58 -0.14 0.00 3.38 0.02 -1.88 115.31 117.59 2jpo h LEU 55 Ca -0.15 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2jpo h LEU 55 Cb 1.79 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.39 2jpo h LEU 55 CO 0.21 0.54 0.00 0.00 0.09 0.00 0.00 178.44 179.28 2jpo n ALA 56 N -2.47 1.73 -0.05 1.53 0.00 0.15 -1.11 120.51 120.29 2jpo n ALA 56 Ca 0.03 -0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.47 2jpo n ALA 56 Cb 0.16 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.66 0.92 -2.38 0.00 -2.24 -0.81 -4.56 114.28 103.56 2jpo n THR 57 Ca 0.04 -0.96 -0.14 0.00 -2.27 0.00 0.00 64.05 60.71 2jpo n THR 57 Cb 0.20 0.54 0.03 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.06 2.80 -0.10 -0.78 5.02 -0.27 -4.80 118.16 119.98 2jpo n LYS 58 Ca 0.05 -3.89 0.06 0.00 -2.02 0.00 0.00 58.31 52.50 2jpo n LYS 58 Cb 0.31 -1.99 0.39 0.00 -0.02 0.00 0.00 35.03 33.72 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 2.37 0.56 0.00 -0.35 3.38 -1.76 0.76 115.31 120.28 2jpo h LEU 59 Ca 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2jpo h LEU 59 Cb 1.42 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2jpo h LEU 59 CO 0.52 0.38 0.00 0.47 0.09 0.00 0.00 178.44 179.90 2jpo n ASP 60 N -4.47 0.00 -0.07 -0.43 9.92 -1.26 -0.71 116.55 119.54 2jpo n ASP 60 Ca 0.07 -0.23 -0.09 0.00 -0.53 0.00 0.00 54.79 54.01 2jpo n ASP 60 Cb 0.16 -0.23 -0.06 0.00 -0.64 0.00 0.00 41.12 40.34 2jpo n ASP 60 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2jpo n VAL 61 N -1.23 0.79 0.10 2.53 0.31 -0.49 -3.79 118.33 116.55 2jpo n VAL 61 Ca 0.14 -0.31 -0.02 0.00 -0.01 0.00 0.00 64.34 64.14 2jpo n VAL 61 Cb 0.19 -0.97 -0.04 0.00 -0.91 0.00 0.00 33.84 32.10 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 0.00 1.23 -1.80 2.52 3.04 -0.82 -3.39 116.25 117.02 2jpo h VAL 62 Ca -0.31 -2.76 -0.51 0.00 -1.01 0.00 0.00 66.70 62.11 2jpo h VAL 62 Cb 1.49 2.61 -0.35 0.00 -2.01 0.00 0.00 31.29 33.02 2jpo h VAL 62 CO -0.04 0.70 -1.00 -0.67 -1.01 0.00 0.00 177.57 175.55 2jpo n ASP 63 N -3.27 -0.39 0.10 3.17 2.03 0.12 -3.78 116.55 114.52 2jpo n ASP 63 Ca 0.01 -2.71 0.09 0.00 0.52 0.00 0.00 54.79 52.69 2jpo n ASP 63 Cb 0.83 -0.28 0.42 0.00 -0.72 0.00 0.00 41.12 41.37 2jpo n ASP 63 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2jpo n PRO 64 N 1.72 0.12 0.25 -0.67 -0.04 -1.25 -0.92 135.00 134.21 2jpo n PRO 64 Ca 0.21 0.48 0.15 0.00 -0.04 0.00 0.00 63.50 64.30 2jpo n PRO 64 Cb 0.53 -1.78 0.85 0.00 -0.04 0.00 0.00 33.50 33.06 2jpo n PRO 64 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2jpo h ASP 65 N 0.00 0.00 -3.02 3.54 3.32 -1.91 -3.46 116.42 114.89 2jpo h ASP 65 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 2jpo h ASP 65 Cb 0.17 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.78 2jpo h ASP 65 CO 0.00 0.00 -0.25 0.61 -1.72 0.00 0.00 179.24 177.88 2jpo n GLY 66 N -1.38 0.28 0.13 2.75 0.00 -0.10 -4.95 105.19 101.92 2jpo n GLY 66 Ca -0.01 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.06 1.96 -4.69 1.61 5.03 -1.26 -4.89 115.26 111.96 2jpo n ASN 67 Ca -0.06 0.23 -0.42 0.00 0.87 0.00 0.00 54.58 55.20 2jpo n ASN 67 Cb 0.54 -0.76 -0.03 0.00 -1.02 0.00 0.00 39.78 38.52 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 -7.30 4.36 0.26 3.41 2.96 -1.26 -3.70 118.68 117.42 2jpo s LEU 68 Ca -0.35 2.49 0.02 0.00 -0.22 0.00 0.00 54.13 56.07 2jpo s LEU 68 Cb 0.11 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.20 2jpo s LEU 68 CO 0.56 -0.87 0.16 -1.00 -1.32 0.00 0.00 176.35 173.88 2jpo s HIS 69 N 2.45 1.44 0.22 5.38 3.76 -1.07 -4.82 115.29 122.65 2jpo s HIS 69 Ca 0.73 -1.41 -0.32 0.00 -0.15 0.00 0.00 55.06 53.91 2jpo s HIS 69 Cb -0.40 -0.72 -0.13 0.00 1.11 0.00 0.00 32.58 32.45 2jpo s HIS 69 CO 0.32 -0.61 1.62 1.58 -0.85 0.00 0.00 174.74 176.80 2jpo n HIS 70 N -0.45 2.59 -1.72 1.40 -0.00 -1.26 -0.86 115.22 114.92 2jpo n HIS 70 Ca 0.02 0.20 -0.18 0.00 0.46 0.00 0.00 57.72 58.22 2jpo n HIS 70 Cb 0.65 -2.60 -0.06 0.00 -0.12 0.00 0.00 29.99 27.86 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 3.17 1.27 2.67 1.57 0.00 0.37 -4.87 105.19 109.38 2jpo n GLY 71 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 2jpo n GLY 71 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jpo n ASN 72 N -1.27 1.55 0.07 1.61 5.15 -0.04 -4.79 115.26 117.55 2jpo n ASN 72 Ca -0.19 -2.66 0.07 0.00 -0.60 0.00 0.00 54.58 51.20 2jpo n ASN 72 Cb 0.61 -0.52 0.32 0.00 -0.53 0.00 0.00 39.78 39.67 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 -0.14 1.29 0.32 5.20 0.00 -1.25 -2.60 120.51 123.33 2jpo n ALA 73 Ca 0.10 0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.46 2jpo n ALA 73 Cb 0.81 -1.21 -0.07 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.81 -0.05 0.00 3.64 -1.87 0.30 116.57 117.77 2jpo h LYS 74 Ca 0.00 0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2jpo h LYS 74 Cb 0.13 0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2jpo h LYS 74 CO 0.00 -0.51 0.00 -0.44 -2.27 0.00 0.00 179.45 176.23 2jpo h ASP 75 N -1.17 0.06 -0.08 4.20 5.19 -1.79 0.12 116.42 122.96 2jpo h ASP 75 Ca -0.09 -0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.28 2jpo h ASP 75 Cb 0.68 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.17 2jpo h ASP 75 CO 0.14 0.07 -0.13 0.15 -3.12 0.00 0.00 179.24 176.36 2jpo h PHE 76 N 0.06 0.28 -0.45 4.55 3.57 -1.55 -2.40 116.94 121.00 2jpo h PHE 76 Ca 0.02 -0.10 0.05 0.00 3.53 0.00 0.00 57.97 61.48 2jpo h PHE 76 Cb 0.05 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 2jpo h PHE 76 CO 0.00 0.71 0.18 0.00 -2.23 0.00 0.00 178.31 176.97 2jpo h ALA 77 N 0.52 0.55 -0.16 2.41 0.00 0.48 -1.63 119.26 121.43 2jpo h ALA 77 Ca 0.01 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2jpo h ALA 77 Cb 0.68 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2jpo h ALA 77 CO 0.03 -0.21 -0.17 0.52 0.00 0.00 0.00 179.25 179.42 2jpo h MET 78 N 0.36 -0.19 0.00 0.00 2.86 -1.04 -0.09 114.93 116.83 2jpo h MET 78 Ca 0.21 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2jpo h MET 78 Cb 0.19 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.89 2jpo h MET 78 CO -0.20 -0.13 0.06 1.63 1.06 0.00 0.00 176.91 179.34 2jpo n LYS 79 N -5.31 0.06 0.00 1.72 4.76 -0.66 -2.42 118.16 116.31 2jpo n LYS 79 Ca -0.02 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 55.94 2jpo n LYS 79 Cb 0.23 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 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 -1.79 0.00 0.00 2.13 8.25 -0.69 -5.03 115.22 118.09 2jpo n HIS 80 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2jpo n HIS 80 Cb 0.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 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 0.65 0.42 3.24 -1.41 0.00 -0.51 -5.01 105.19 102.57 2jpo n GLY 81 Ca 0.00 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.07 1.41 0.33 4.61 0.00 -0.16 -4.91 121.76 122.98 2jpo s ALA 82 Ca 0.00 -1.79 0.03 0.00 0.00 0.00 0.00 51.96 50.20 2jpo s ALA 82 Cb 0.00 1.36 -0.05 0.00 0.00 0.00 0.00 23.12 24.43 2jpo s ALA 82 CO 0.00 -0.59 0.09 -0.51 0.00 0.00 0.00 175.76 174.75 2jpo s ASP 83 N -3.23 2.22 0.28 0.00 1.01 -1.26 -4.24 116.67 111.46 2jpo s ASP 83 Ca 0.39 -1.47 0.02 0.00 0.71 0.00 0.00 52.55 52.20 2jpo s ASP 83 Cb 0.06 0.15 0.69 0.00 1.01 0.00 0.00 42.92 44.84 2jpo s ASP 83 CO 0.15 -0.74 1.66 -0.08 0.21 0.00 0.00 175.17 176.37 2jpo h GLU 84 N 2.08 0.23 0.10 8.23 4.81 -1.98 0.13 114.58 128.19 2jpo h GLU 84 Ca -0.38 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 2jpo h GLU 84 Cb 1.25 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2jpo h GLU 84 CO 0.64 0.15 -0.05 1.15 -0.73 0.00 0.00 179.01 180.17 2jpo h THR 85 N 0.24 1.03 -0.69 0.32 2.02 -1.97 0.20 112.91 114.05 2jpo h THR 85 Ca 0.54 -0.49 -0.07 0.00 0.77 0.00 0.00 66.41 67.15 2jpo h THR 85 Cb 1.08 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.80 2jpo h THR 85 CO -0.63 0.12 0.14 0.24 0.37 0.00 0.00 175.52 175.76 2jpo h MET 86 N -0.36 1.13 0.07 6.66 2.86 -1.59 0.17 114.93 123.86 2jpo h MET 86 Ca -0.01 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.33 2jpo h MET 86 Cb 0.30 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.82 2jpo h MET 86 CO 0.02 1.01 -0.03 0.00 1.06 0.00 0.00 176.91 178.97 2jpo h ALA 87 N 1.07 -0.09 -0.19 6.32 0.00 -0.66 -2.63 119.26 123.08 2jpo h ALA 87 Ca 0.21 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 2jpo h ALA 87 Cb 0.41 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2jpo h ALA 87 CO 0.01 -0.55 -0.28 1.96 0.00 0.00 0.00 179.25 180.39 2jpo h GLN 88 N -0.11 0.36 -0.51 0.00 1.08 -0.37 -2.11 115.11 113.44 2jpo h GLN 88 Ca -0.01 -0.13 0.10 0.00 -1.45 0.00 0.00 58.65 57.15 2jpo h GLN 88 Cb 0.09 -0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.41 2jpo h GLN 88 CO 0.02 0.61 0.01 1.96 -0.95 0.00 0.00 178.83 180.48 2jpo h GLN 89 N 0.31 0.12 -0.14 1.46 1.08 -0.30 0.33 115.11 117.98 2jpo h GLN 89 Ca 0.05 -0.01 -0.23 0.00 -1.45 0.00 0.00 58.65 57.01 2jpo h GLN 89 Cb 0.66 -0.03 0.01 0.00 -0.05 0.00 0.00 27.48 28.08 2jpo h GLN 89 CO 0.05 0.08 -0.80 -0.07 -0.95 0.00 0.00 178.83 177.14 2jpo h LEU 90 N 0.13 0.94 -0.87 1.46 3.38 -1.32 -2.78 115.31 116.25 2jpo h LEU 90 Ca 0.26 -0.64 0.04 0.00 0.09 0.00 0.00 57.88 57.62 2jpo h LEU 90 Cb 0.39 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 2jpo h LEU 90 CO -0.42 1.43 0.56 0.58 0.09 0.00 0.00 178.44 180.68 2jpo h VAL 91 N 0.52 1.13 0.00 1.22 2.07 -0.88 -1.89 116.25 118.41 2jpo h VAL 91 Ca -0.06 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 2jpo h VAL 91 Cb 1.44 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2jpo h VAL 91 CO 0.16 0.20 -0.09 -0.78 0.02 0.00 0.00 177.57 177.08 2jpo h ASP 92 N 1.08 0.00 -0.17 0.57 1.82 -0.27 0.26 116.42 119.71 2jpo h ASP 92 Ca 0.35 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.88 2jpo h ASP 92 Cb 0.02 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.03 2jpo h ASP 92 CO -0.12 0.09 -0.32 0.40 -1.61 0.00 0.00 179.24 177.68 2jpo h ILE 93 N 0.00 1.35 0.13 2.25 1.08 -1.06 0.38 117.51 121.63 2jpo h ILE 93 Ca -0.00 -1.56 -0.31 0.00 -0.39 0.00 0.00 64.86 62.60 2jpo h ILE 93 Cb 0.47 1.93 -0.00 0.00 -3.07 0.00 0.00 36.82 36.15 2jpo h ILE 93 CO 0.01 0.47 -1.51 -0.29 -0.69 0.00 0.00 178.15 176.14 2jpo h ILE 94 N 0.16 1.18 0.00 -0.67 6.09 -1.26 -2.52 117.51 120.50 2jpo h ILE 94 Ca 0.01 -2.80 0.00 0.00 -1.37 0.00 0.00 64.86 60.70 2jpo h ILE 94 Cb 0.91 2.79 0.00 0.00 0.47 0.00 0.00 36.82 40.99 2jpo h ILE 94 CO 0.07 0.83 0.00 0.45 -3.07 0.00 0.00 178.15 176.43 2jpo h HIS 95 N 0.07 0.00 0.00 2.19 3.86 -0.59 0.15 115.15 120.83 2jpo h HIS 95 Ca -0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 2jpo h HIS 95 Cb 2.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.49 2jpo h HIS 95 CO 0.07 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.27 2jpo n GLY 96 N 0.00 -2.18 0.16 2.45 0.00 0.12 -4.10 105.19 101.64 2jpo n GLY 96 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 2jpo n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jpo h GLU 98 N 0.00 1.06 0.00 0.00 -0.00 -0.94 0.30 114.58 115.00 2jpo h GLU 98 Ca -0.01 -0.06 0.00 0.00 -0.00 0.00 0.00 59.36 59.29 2jpo h GLU 98 Cb 0.92 -0.24 0.00 0.00 -0.00 0.00 0.00 28.75 29.44 2jpo h GLU 98 CO 0.07 0.70 -0.04 1.17 -0.00 0.00 0.00 179.01 180.90 2jpo n LYS 99 N -4.54 0.17 -0.03 1.06 0.00 -1.05 -3.51 118.16 110.25 2jpo n LYS 99 Ca 0.12 0.13 0.02 0.00 0.00 0.00 0.00 58.31 58.58 2jpo n LYS 99 Cb 0.11 -1.68 0.03 0.00 0.00 0.00 0.00 35.03 33.49 2jpo n LYS 99 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2jpo n SER 100 N -1.97 1.80 -4.77 3.14 2.88 -0.63 -5.08 113.62 109.00 2jpo n SER 100 Ca 0.06 -2.15 -0.38 0.00 -1.33 0.00 0.00 58.87 55.07 2jpo n SER 100 Cb 0.40 -0.11 -0.03 0.00 -0.75 0.00 0.00 64.21 63.72 2jpo n SER 100 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jpo s ALA 101 N -1.29 3.18 0.78 -1.46 0.00 -0.00 -4.96 121.76 118.00 2jpo s ALA 101 Ca 0.07 0.87 -0.10 0.00 0.00 0.00 0.00 51.96 52.80 2jpo s ALA 101 Cb 0.06 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 19.91 2jpo s ALA 101 CO 0.01 -0.36 1.09 -1.25 0.00 0.00 0.00 175.76 175.25 2jpo s PRO 102 N -2.20 2.19 -0.38 0.00 0.04 -1.26 -4.89 135.00 128.49 2jpo s PRO 102 Ca 0.55 1.19 -0.28 0.00 0.04 0.00 0.00 61.00 62.50 2jpo s PRO 102 Cb -0.28 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 2jpo s PRO 102 CO 0.36 -1.70 1.92 -1.25 0.04 0.00 0.00 177.00 176.37 2jpo s PRO 103 N -4.89 3.06 0.16 0.56 0.04 -1.26 -4.13 135.00 128.53 2jpo s PRO 103 Ca 0.61 1.35 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2jpo s PRO 103 Cb -0.17 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.07 2jpo s PRO 103 CO 0.56 -2.19 0.00 -1.71 0.04 0.00 0.00 177.00 173.70 2jpo n ASN 104 N 11.47 -1.42 -2.92 6.66 5.15 -1.26 -5.14 115.26 127.81 2jpo n ASN 104 Ca 0.25 0.36 -0.02 0.00 -0.60 0.00 0.00 54.58 54.56 2jpo n ASN 104 Cb 0.48 1.58 -0.02 0.00 -0.53 0.00 0.00 39.78 41.29 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 -2.80 -5.10 -3.67 1.20 8.00 -1.26 -5.04 116.55 107.88 2jpo n ASP 105 Ca 0.00 1.09 -0.14 0.00 0.71 0.00 0.00 54.79 56.45 2jpo n ASP 105 Cb 0.00 -2.86 -0.08 0.00 -0.02 0.00 0.00 41.12 38.15 2jpo n ASP 105 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jpo s ASP 106 N -0.26 -0.56 0.51 -2.24 -1.08 -1.26 -4.94 116.67 106.85 2jpo s ASP 106 Ca -0.10 1.00 0.29 0.00 -0.52 0.00 0.00 52.55 53.21 2jpo s ASP 106 Cb 0.01 1.01 1.35 0.00 -1.46 0.00 0.00 42.92 43.83 2jpo s ASP 106 CO 0.28 -0.26 2.00 0.11 0.52 0.00 0.00 175.17 177.83 2jpo h LYS 107 N 4.90 0.00 0.00 4.34 6.56 -1.98 -0.11 116.57 130.28 2jpo h LYS 107 Ca -0.28 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.24 2jpo h LYS 107 Cb 1.17 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.82 2jpo h LYS 107 CO 0.20 0.12 -0.85 0.00 -2.06 0.00 0.00 179.45 176.86 2jpo h MET 109 N -1.00 0.49 -0.33 0.00 2.86 -1.79 -0.60 114.93 114.57 2jpo h MET 109 Ca -0.10 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 2jpo h MET 109 Cb 0.80 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 2jpo h MET 109 CO -0.06 1.00 0.21 -0.22 1.06 0.00 0.00 176.91 178.90 2jpo h LYS 110 N 0.35 0.42 -0.90 1.72 3.64 -1.30 -0.89 116.57 119.62 2jpo h LYS 110 Ca -0.02 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 2jpo h LYS 110 Cb 1.26 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.93 2jpo h LYS 110 CO 0.12 0.28 0.59 1.15 -2.27 0.00 0.00 179.45 179.32 2jpo h THR 111 N 0.44 1.10 -0.20 1.00 2.02 -1.58 -0.39 112.91 115.30 2jpo h THR 111 Ca 0.12 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 2jpo h THR 111 Cb -0.05 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.30 2jpo h THR 111 CO -0.03 0.19 0.08 0.40 0.37 0.00 0.00 175.52 176.54 2jpo h ILE 112 N 1.07 1.16 0.48 3.11 2.04 -0.44 0.51 117.51 125.43 2jpo h ILE 112 Ca 0.37 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2jpo h ILE 112 Cb 0.12 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2jpo h ILE 112 CO -0.13 0.15 -0.34 0.44 0.00 0.00 0.00 178.15 178.28 2jpo h ASP 113 N 0.18 -0.86 -0.58 1.72 3.32 -0.39 0.20 116.42 120.01 2jpo h ASP 113 Ca 0.07 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.21 2jpo h ASP 113 Cb 0.16 0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 2jpo h ASP 113 CO -0.01 -0.51 0.39 0.58 -1.72 0.00 0.00 179.24 177.97 2jpo h VAL 114 N -0.79 1.06 -0.04 -1.35 2.07 -1.11 0.19 116.25 116.29 2jpo h VAL 114 Ca -0.05 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 2jpo h VAL 114 Cb 0.66 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2jpo h VAL 114 CO 0.02 0.12 -0.12 0.00 0.02 0.00 0.00 177.57 177.62 2jpo h ALA 115 N 1.66 0.07 0.00 1.67 0.00 -0.41 -1.89 119.26 120.36 2jpo h ALA 115 Ca 0.24 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2jpo h ALA 115 Cb 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2jpo h ALA 115 CO -0.06 -0.03 -0.50 0.00 0.00 0.00 0.00 179.25 178.65 2jpo h MET 116 N -0.39 0.00 0.01 0.00 -0.00 -0.32 -2.66 114.93 111.57 2jpo h MET 116 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.73 2jpo h MET 116 Cb 0.73 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.29 2jpo h MET 116 CO 0.03 0.50 -0.23 0.00 -0.00 0.00 0.00 176.91 177.20 2jpo h PHE 118 N -0.37 -1.75 -0.74 0.00 3.04 -0.98 0.16 116.94 116.29 2jpo h PHE 118 Ca 0.06 0.11 -0.00 0.00 3.98 0.00 0.00 57.97 62.11 2jpo h PHE 118 Cb 0.45 0.86 -0.04 0.00 2.56 0.00 0.00 35.95 39.79 2jpo h PHE 118 CO -0.27 -0.42 0.45 -0.22 -2.02 0.00 0.00 178.31 175.83 2jpo h LYS 119 N -0.16 1.00 -0.20 1.11 1.63 -1.41 -0.08 116.57 118.46 2jpo h LYS 119 Ca 0.14 -0.09 -0.02 0.00 -0.85 0.00 0.00 60.65 59.83 2jpo h LYS 119 Cb 0.50 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 2jpo h LYS 119 CO -0.80 0.70 0.04 0.87 -3.45 0.00 0.00 179.45 176.81 2jpo h LYS 120 N 1.02 0.32 0.00 1.90 6.56 -0.81 -3.20 116.57 122.37 2jpo h LYS 120 Ca 0.27 -0.08 -0.02 0.00 -1.06 0.00 0.00 60.65 59.76 2jpo h LYS 120 Cb -0.04 -0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 31.58 2jpo h LYS 120 CO -0.05 0.47 -0.08 0.93 -2.06 0.00 0.00 179.45 178.66 2jpo h GLU 121 N 0.12 0.00 -0.13 3.15 4.39 0.97 -0.73 114.58 122.35 2jpo h GLU 121 Ca 0.06 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.80 2jpo h GLU 121 Cb 0.30 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2jpo h GLU 121 CO 0.00 0.08 0.26 0.82 -1.16 0.00 0.00 179.01 179.01 2jpo h ILE 122 N 0.00 0.22 -1.01 3.13 2.04 -1.10 -0.14 117.51 120.65 2jpo h ILE 122 Ca -0.00 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.11 2jpo h ILE 122 Cb 0.31 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 37.07 2jpo h ILE 122 CO 0.01 0.00 0.66 0.45 0.00 0.00 0.00 178.15 179.27 2jpo h HIS 123 N 0.00 0.60 0.00 1.37 3.86 -1.30 0.01 115.15 119.70 2jpo h HIS 123 Ca 0.06 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.16 2jpo h HIS 123 Cb 0.59 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 2jpo h HIS 123 CO 0.00 0.09 -0.73 1.57 0.86 0.00 0.00 177.93 179.72 2jpo h LYS 124 N 0.39 0.00 -0.14 2.45 2.10 -1.24 -3.30 116.57 116.83 2jpo h LYS 124 Ca 0.56 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 59.17 2jpo h LYS 124 Cb 1.43 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.76 2jpo h LYS 124 CO -0.25 0.52 -0.08 -0.07 -2.00 0.00 0.00 179.45 177.57 2jpo h LEU 125 N 0.00 0.30 0.00 7.07 3.38 -1.11 -3.46 115.31 121.48 2jpo h LEU 125 Ca -0.03 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2jpo h LEU 125 Cb 1.47 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2jpo h LEU 125 CO 0.07 0.67 0.00 0.59 0.09 0.00 0.00 178.44 179.85 2jpo n ASN 126 N -4.65 0.00 -4.94 -0.43 3.02 -0.80 -4.97 115.26 102.48 2jpo n ASN 126 Ca -0.06 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.28 2jpo n ASN 126 Cb 0.30 -0.84 0.04 0.00 -0.61 0.00 0.00 39.78 38.68 2jpo n ASN 126 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 2jpo s TRP 127 N -2.23 2.63 -0.06 3.10 1.48 -1.26 -5.11 118.94 117.49 2jpo s TRP 127 Ca 0.00 -0.13 0.03 0.00 -1.06 0.00 0.00 56.10 54.94 2jpo s TRP 127 Cb 0.00 -2.71 0.01 0.00 -1.16 0.00 0.00 33.47 29.60 2jpo s TRP 127 CO 0.00 -0.94 -0.14 0.08 -4.06 0.00 0.00 176.95 171.89 2jpo s VAL 128 N -2.75 1.25 1.06 -0.66 1.01 -1.26 -4.93 120.40 114.12 2jpo s VAL 128 Ca 0.58 -0.56 -0.15 0.00 0.00 0.00 0.00 61.98 61.85 2jpo s VAL 128 Cb -0.09 -1.11 0.22 0.00 0.00 0.00 0.00 36.38 35.39 2jpo s VAL 128 CO 0.38 0.38 1.12 -2.84 0.00 0.00 0.00 175.10 174.14 2jpo s PRO 129 N 0.47 -0.09 0.72 2.72 0.02 -1.26 -5.03 135.00 132.55 2jpo s PRO 129 Ca -0.12 0.19 -0.16 0.00 0.02 0.00 0.00 61.00 60.93 2jpo s PRO 129 Cb -0.15 -1.71 -0.02 0.00 0.02 0.00 0.00 34.50 32.65 2jpo s PRO 129 CO 0.04 -3.01 0.72 0.09 -0.33 0.00 0.00 177.00 174.50 2jpo n ASN 130 N -4.31 -0.48 0.14 2.53 3.02 -1.26 -4.87 115.26 110.03 2jpo n ASN 130 Ca 0.09 0.63 0.05 0.00 -0.03 0.00 0.00 54.58 55.32 2jpo n ASN 130 Cb 0.59 -1.30 0.51 0.00 -0.61 0.00 0.00 39.78 38.97 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 -0.31 0.23 -0.16 3.52 -0.00 -1.96 -2.23 114.93 114.01 2jpo h MET 131 Ca -0.46 -0.02 -0.08 0.00 -0.00 0.00 0.00 59.70 59.13 2jpo h MET 131 Cb 1.34 -0.05 -0.00 0.00 -0.00 0.00 0.00 31.60 32.90 2jpo h MET 131 CO 0.44 0.21 -0.21 -0.44 -0.00 0.00 0.00 176.91 176.91 2jpo h ASP 132 N 0.23 0.47 -0.24 -0.10 5.19 -1.97 -3.24 116.42 116.76 2jpo h ASP 132 Ca 0.06 -0.51 0.06 0.00 -0.62 0.00 0.00 57.03 56.01 2jpo h ASP 132 Cb 0.08 -0.13 -0.06 0.00 0.18 0.00 0.00 39.33 39.40 2jpo h ASP 132 CO -0.00 0.88 -0.15 -0.07 -3.12 0.00 0.00 179.24 176.78 2jpo h LEU 133 N 0.06 -0.49 -0.37 1.55 3.38 -1.77 0.16 115.31 117.82 2jpo h LEU 133 Ca 0.02 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.17 2jpo h LEU 133 Cb 0.77 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.71 2jpo h LEU 133 CO 0.05 -0.19 -0.13 0.58 0.09 0.00 0.00 178.44 178.84 2jpo h VAL 134 N -0.14 0.55 0.37 1.22 2.07 -1.49 0.12 116.25 118.95 2jpo h VAL 134 Ca 0.13 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 2jpo h VAL 134 Cb 0.34 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2jpo h VAL 134 CO -0.32 0.00 -0.18 0.40 0.02 0.00 0.00 177.57 177.49 2jpo h ILE 135 N -0.05 0.41 -1.13 4.57 2.04 -1.50 -2.98 117.51 118.88 2jpo h ILE 135 Ca 0.18 -0.68 0.32 0.00 1.00 0.00 0.00 64.86 65.68 2jpo h ILE 135 Cb 0.33 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 2jpo h ILE 135 CO -0.41 0.09 0.79 1.23 0.00 0.00 0.00 178.15 179.84 2jpo h GLY 136 N -0.98 0.30 0.20 5.37 0.00 -0.44 0.18 103.07 107.70 2jpo h GLY 136 Ca -0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 2jpo h GLY 136 CO 0.08 -0.04 -0.09 -2.09 0.00 0.00 0.00 176.54 174.40 2jpo h GLU 137 N 0.09 -0.26 -0.74 4.80 4.57 -0.79 -3.19 114.58 119.07 2jpo h GLU 137 Ca 0.56 0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.91 2jpo h GLU 137 Cb 2.05 0.06 -0.14 0.00 -0.16 0.00 0.00 28.75 30.55 2jpo h GLU 137 CO -0.08 -0.17 -0.15 -0.24 -1.18 0.00 0.00 179.01 177.19 2jpo h VAL 138 N -0.35 0.27 -0.08 0.32 3.04 -0.85 0.12 116.25 118.72 2jpo h VAL 138 Ca -0.03 -0.01 0.02 0.00 -1.01 0.00 0.00 66.70 65.68 2jpo h VAL 138 Cb 0.20 0.25 -0.00 0.00 -2.01 0.00 0.00 31.29 29.73 2jpo h VAL 138 CO 0.04 0.00 0.09 -0.07 -1.01 0.00 0.00 177.57 176.63 2jpo h LEU 139 N 0.02 0.00 0.00 3.16 3.38 -1.34 -2.29 115.31 118.24 2jpo h LEU 139 Ca 0.37 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.28 2jpo h LEU 139 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2jpo h LEU 139 CO -0.74 0.00 -0.24 0.00 0.09 0.00 0.00 178.44 177.55 2jpo h ALA 140 N 1.90 0.02 -0.10 1.53 0.00 -0.73 -3.35 119.26 118.54 2jpo h ALA 140 Ca 0.04 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 2jpo h ALA 140 Cb 0.22 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jpo h ALA 140 CO -0.00 0.08 -0.15 1.49 0.00 0.00 0.00 179.25 180.67 2jpo h GLU 141 N -0.54 0.27 0.00 0.00 4.22 -1.51 0.11 114.58 117.12 2jpo h GLU 141 Ca -0.03 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.25 2jpo h GLU 141 Cb 1.01 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2jpo h GLU 141 CO 0.05 0.73 0.00 0.28 -2.18 0.00 0.00 179.01 177.89