#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 2.72 0.00 4.33 0.04 -1.26 -4.25 135.00 136.58 2jpo s PRO 2 Ca 0.00 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 60.88 2jpo s PRO 2 Cb 0.00 -4.89 0.00 0.00 0.04 0.00 0.00 34.50 29.65 2jpo s PRO 2 CO 0.00 -3.03 0.00 -1.91 0.04 0.00 0.00 177.00 172.10 2jpo n GLU 3 N 8.97 0.00 -2.77 4.56 2.13 -1.26 -4.98 120.64 127.28 2jpo n GLU 3 Ca 0.33 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.90 2jpo n GLU 3 Cb 0.49 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.18 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 -2.38 2.45 -0.52 6.31 -5.35 -1.26 -5.06 119.36 113.56 2jpo n ILE 4 Ca 0.00 -5.12 -0.31 0.00 -0.27 0.00 0.00 62.75 57.05 2jpo n ILE 4 Cb 0.00 -1.14 0.28 0.00 -1.74 0.00 0.00 39.64 37.04 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 -3.40 -2.72 -0.24 6.28 -1.94 -1.26 -4.89 119.30 111.13 2jpo s MET 5 Ca 0.47 0.05 -0.38 0.00 -1.71 0.00 0.00 55.69 54.11 2jpo s MET 5 Cb 0.34 -1.41 -0.14 0.00 2.01 0.00 0.00 34.83 35.63 2jpo s MET 5 CO -0.14 -4.72 1.81 1.63 -0.01 0.00 0.00 175.02 173.59 2jpo n LYS 6 N -5.50 1.40 -4.21 2.03 5.02 -1.26 -4.93 118.16 110.70 2jpo n LYS 6 Ca 0.13 0.51 -0.12 0.00 -2.02 0.00 0.00 58.31 56.81 2jpo n LYS 6 Cb 0.60 -2.26 -0.10 0.00 -0.02 0.00 0.00 35.03 33.25 2jpo n LYS 6 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jpo s ASN 7 N 3.95 0.57 -1.47 4.39 2.20 -1.26 -5.06 114.94 118.25 2jpo s ASN 7 Ca 0.98 -1.28 -0.13 0.00 -0.94 0.00 0.00 52.86 51.49 2jpo s ASN 7 Cb -0.97 0.27 0.03 0.00 -2.00 0.00 0.00 41.25 38.58 2jpo s ASN 7 CO 0.62 -0.73 2.33 0.18 -2.94 0.00 0.00 177.10 176.55 2jpo n LEU 8 N -0.23 7.19 0.00 3.54 4.32 -1.26 -3.99 117.00 126.56 2jpo n LEU 8 Ca -0.03 -4.23 0.00 0.00 -0.02 0.00 0.00 56.01 51.73 2jpo n LEU 8 Cb 0.65 -1.62 0.00 0.00 -1.62 0.00 0.00 43.42 40.82 2jpo n LEU 8 CO 0.33 1.31 0.00 -0.24 -1.22 0.00 0.00 177.39 177.57 2jpo n SER 9 N 5.44 0.00 0.27 -1.43 2.88 -1.26 -4.75 113.62 114.77 2jpo n SER 9 Ca 0.56 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 58.22 2jpo n SER 9 Cb 0.36 0.00 0.78 0.00 -0.75 0.00 0.00 64.21 64.60 2jpo n SER 9 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2jpo h ASN 10 N 0.00 0.00 0.01 -3.46 2.35 -1.97 0.27 115.58 112.78 2jpo h ASN 10 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jpo h ASN 10 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2jpo h ASN 10 CO 0.00 0.00 -0.01 0.78 -1.65 0.00 0.00 177.43 176.55 2jpo h ASN 11 N 0.00 -0.02 -0.04 5.81 2.35 -1.81 -2.70 115.58 119.17 2jpo h ASN 11 Ca 0.01 -0.77 0.03 0.00 -0.55 0.00 0.00 56.30 55.02 2jpo h ASN 11 Cb 0.04 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.35 2jpo h ASN 11 CO -0.00 0.83 -0.45 -0.26 -1.65 0.00 0.00 177.43 175.90 2jpo h PHE 12 N -0.93 -1.28 -0.10 1.19 0.04 -1.44 -2.19 116.94 112.23 2jpo h PHE 12 Ca -0.00 0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.84 2jpo h PHE 12 Cb 0.79 0.57 -0.00 0.00 2.20 0.00 0.00 35.95 39.50 2jpo h PHE 12 CO 0.21 -0.51 0.07 0.78 -0.60 0.00 0.00 178.31 178.26 2jpo h GLY 13 N -0.57 0.00 0.52 -1.45 0.00 -1.08 -0.34 103.07 100.16 2jpo h GLY 13 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 2jpo h GLY 13 CO -0.35 0.00 -0.19 1.70 0.00 0.00 0.00 176.54 177.70 2jpo h LYS 14 N 0.00 0.19 -0.98 4.80 3.64 -1.07 0.81 116.57 123.96 2jpo h LYS 14 Ca 0.05 -0.16 0.09 0.00 -1.27 0.00 0.00 60.65 59.36 2jpo h LYS 14 Cb 0.19 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.97 2jpo h LYS 14 CO -0.00 0.82 0.63 0.00 -2.27 0.00 0.00 179.45 178.63 2jpo h ALA 15 N 0.37 1.50 -0.26 5.00 0.00 -0.83 0.12 119.26 125.16 2jpo h ALA 15 Ca -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2jpo h ALA 15 Cb 0.86 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2jpo h ALA 15 CO 0.04 0.31 0.06 1.98 0.00 0.00 0.00 179.25 181.64 2jpo h MET 16 N 1.04 0.43 -0.48 0.00 1.85 -0.95 -2.53 114.93 114.29 2jpo h MET 16 Ca 0.45 -0.10 -0.00 0.00 -0.61 0.00 0.00 59.70 59.43 2jpo h MET 16 Cb 0.34 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.29 2jpo h MET 16 CO -0.21 0.52 0.29 0.22 -0.40 0.00 0.00 176.91 177.34 2jpo h ASP 17 N 0.26 0.58 -0.86 1.39 1.82 0.05 0.21 116.42 119.86 2jpo h ASP 17 Ca 0.08 -0.06 0.14 0.00 -0.39 0.00 0.00 57.03 56.80 2jpo h ASP 17 Cb 0.29 -0.15 -0.09 0.00 0.68 0.00 0.00 39.33 40.06 2jpo h ASP 17 CO 0.00 0.46 0.47 1.56 -1.61 0.00 0.00 179.24 180.12 2jpo h GLN 18 N 0.64 0.68 -0.10 0.28 4.20 -0.98 0.83 115.11 120.66 2jpo h GLN 18 Ca 0.17 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 2jpo h GLN 18 Cb -0.01 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 2jpo h GLN 18 CO -0.03 0.45 -0.07 0.00 -0.67 0.00 0.00 178.83 178.50 2jpo n LYS 20 N -4.69 0.01 -0.02 0.00 4.81 0.56 -0.59 118.16 118.23 2jpo n LYS 20 Ca -0.07 0.42 -0.04 0.00 -0.87 0.00 0.00 58.31 57.74 2jpo n LYS 20 Cb 0.30 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 33.84 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 -1.45 1.51 -0.30 3.14 2.03 0.20 -2.85 116.55 118.84 2jpo n ASP 21 Ca 0.01 0.23 0.01 0.00 0.52 0.00 0.00 54.79 55.56 2jpo n ASP 21 Cb 0.03 -0.54 0.20 0.00 -0.72 0.00 0.00 41.12 40.09 2jpo n ASP 21 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2jpo h GLU 22 N -0.49 1.10 0.00 -0.67 5.08 -0.60 -2.89 114.58 116.11 2jpo h GLU 22 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2jpo h GLU 22 Cb 0.49 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2jpo h GLU 22 CO 0.00 0.73 -1.10 1.28 -1.00 0.00 0.00 179.01 178.92 2jpo n LEU 23 N -4.43 0.73 -3.62 1.33 4.77 0.24 -5.00 117.00 111.02 2jpo n LEU 23 Ca 0.11 -0.40 -0.24 0.00 -0.03 0.00 0.00 56.01 55.45 2jpo n LEU 23 Cb 0.08 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.25 2jpo n LEU 23 CO 0.35 0.18 0.20 -0.24 -1.33 0.00 0.00 177.39 176.56 2jpo n SER 24 N -1.59 -5.38 -4.73 -1.43 2.88 -1.09 -4.93 113.62 97.34 2jpo n SER 24 Ca 0.02 -0.59 -0.42 0.00 -1.33 0.00 0.00 58.87 56.55 2jpo n SER 24 Cb 0.34 -4.86 -0.02 0.00 -0.75 0.00 0.00 64.21 58.91 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 -7.15 4.37 0.73 2.46 1.43 -1.20 -4.97 118.68 114.34 2jpo s LEU 25 Ca 0.50 2.78 -0.12 0.00 -1.03 0.00 0.00 54.13 56.25 2jpo s LEU 25 Cb -0.22 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.42 2jpo s LEU 25 CO 0.75 -0.86 1.10 -2.16 0.23 0.00 0.00 176.35 175.41 2jpo s PRO 26 N 0.31 2.46 0.27 1.29 0.04 -1.26 -4.78 135.00 133.32 2jpo s PRO 26 Ca 0.67 1.27 0.25 0.00 0.04 0.00 0.00 61.00 63.23 2jpo s PRO 26 Cb -0.46 -1.92 0.91 0.00 0.04 0.00 0.00 34.50 33.08 2jpo s PRO 26 CO 0.39 -1.50 1.75 0.22 0.04 0.00 0.00 177.00 177.91 2jpo h ASP 27 N -0.65 0.00 0.83 6.66 3.58 -1.98 0.84 116.42 125.71 2jpo h ASP 27 Ca -0.45 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 56.96 2jpo h ASP 27 Cb 1.24 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.30 2jpo h ASP 27 CO 0.52 0.00 -0.40 0.77 -2.88 0.00 0.00 179.24 177.25 2jpo h SER 28 N 0.00 -0.95 -0.07 2.28 4.64 -1.98 -1.34 113.55 116.13 2jpo h SER 28 Ca 0.00 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.29 2jpo h SER 28 Cb 0.55 0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 2jpo h SER 28 CO 0.00 -0.63 -0.11 0.58 -0.87 0.00 0.00 176.83 175.80 2jpo h VAL 29 N -1.20 1.20 0.33 0.95 2.07 -1.59 0.32 116.25 118.34 2jpo h VAL 29 Ca -0.11 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 2jpo h VAL 29 Cb 0.86 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2jpo h VAL 29 CO 0.19 0.28 -0.16 0.58 0.02 0.00 0.00 177.57 178.48 2jpo h VAL 30 N 0.35 0.67 -0.36 2.57 2.07 -0.97 -2.14 116.25 118.46 2jpo h VAL 30 Ca 0.07 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 2jpo h VAL 30 Cb 0.42 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2jpo h VAL 30 CO 0.02 0.10 -0.08 0.00 0.02 0.00 0.00 177.57 177.63 2jpo h ALA 31 N -0.19 1.19 -0.23 1.67 0.00 -0.71 -1.80 119.26 119.20 2jpo h ALA 31 Ca -0.04 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 2jpo h ALA 31 Cb 0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2jpo h ALA 31 CO 0.07 0.52 -0.15 -0.44 0.00 0.00 0.00 179.25 179.25 2jpo h ASP 32 N 0.56 0.37 -0.28 0.00 3.32 -0.40 -0.77 116.42 119.21 2jpo h ASP 32 Ca 0.11 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 2jpo h ASP 32 Cb 0.48 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2jpo h ASP 32 CO 0.03 0.55 -0.14 0.25 -1.72 0.00 0.00 179.24 178.21 2jpo h LEU 33 N 0.35 0.60 -0.71 1.55 6.46 -0.65 0.24 115.31 123.16 2jpo h LEU 33 Ca 0.07 -0.41 0.10 0.00 -0.12 0.00 0.00 57.88 57.51 2jpo h LEU 33 Cb 0.48 -0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 40.17 2jpo h LEU 33 CO 0.03 0.88 0.35 1.88 -0.62 0.00 0.00 178.44 180.96 2jpo h TYR 34 N 0.33 0.62 0.00 1.25 -1.99 -1.00 -2.35 116.97 113.83 2jpo h TYR 34 Ca 0.06 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.78 2jpo h TYR 34 Cb 0.65 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 39.20 2jpo h TYR 34 CO 0.06 0.22 -0.19 -0.91 -0.00 0.00 0.00 178.16 177.34 2jpo h ASN 35 N 0.59 0.00 0.01 3.88 2.35 -0.84 -3.27 115.58 118.30 2jpo h ASN 35 Ca 0.35 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 56.12 2jpo h ASN 35 Cb 0.38 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 2jpo h ASN 35 CO -0.28 0.19 -0.13 0.15 -1.65 0.00 0.00 177.43 175.72 2jpo h PHE 36 N 0.00 -0.33 -0.07 1.19 3.57 -0.38 -1.00 116.94 119.92 2jpo h PHE 36 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2jpo h PHE 36 Cb 0.74 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.62 2jpo h PHE 36 CO 0.00 -0.19 0.00 0.91 -2.23 0.00 0.00 178.31 176.80 2jpo n TRP 37 N -5.26 0.09 0.09 0.41 7.02 -1.24 -4.08 117.44 114.47 2jpo n TRP 37 Ca -0.05 -0.05 -0.12 0.00 -1.02 0.00 0.00 57.50 56.26 2jpo n TRP 37 Cb 0.18 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 28.99 2jpo n TRP 37 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 2jpo h LYS 38 N 0.88 -0.26 0.00 -0.99 3.64 -1.23 -3.48 116.57 115.13 2jpo h LYS 38 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2jpo h LYS 38 Cb 0.19 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2jpo h LYS 38 CO 0.00 0.13 0.00 -3.47 -2.27 0.00 0.00 179.45 173.84 2jpo n ASP 39 N -5.00 0.00 -3.28 4.20 -0.08 -1.26 -5.08 116.55 106.05 2jpo n ASP 39 Ca -0.08 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 52.95 2jpo n ASP 39 Cb 0.26 0.08 -0.08 0.00 2.34 0.00 0.00 41.12 43.72 2jpo n ASP 39 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2jpo n ASP 40 N -1.58 -0.39 -4.17 1.67 5.75 -1.26 -5.06 116.55 111.51 2jpo n ASP 40 Ca 0.00 -2.53 -0.24 0.00 -0.01 0.00 0.00 54.79 52.02 2jpo n ASP 40 Cb 0.00 -0.46 -0.15 0.00 -1.03 0.00 0.00 41.12 39.48 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 -0.37 1.51 -0.32 2.11 6.14 -1.26 -5.11 117.35 120.05 2jpo s TYR 41 Ca 0.34 -0.31 -0.02 0.00 0.64 0.00 0.00 57.07 57.71 2jpo s TYR 41 Cb 0.09 -0.94 0.06 0.00 0.42 0.00 0.00 41.96 41.59 2jpo s TYR 41 CO -0.16 0.01 0.05 0.08 0.64 0.00 0.00 175.55 176.17 2jpo s VAL 42 N -0.56 3.11 0.71 3.14 1.01 -1.26 -4.86 120.40 121.69 2jpo s VAL 42 Ca 0.06 -1.50 -0.13 0.00 0.00 0.00 0.00 61.98 60.40 2jpo s VAL 42 Cb -0.07 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.47 2jpo s VAL 42 CO 0.00 -0.23 1.11 0.00 0.00 0.00 0.00 175.10 175.98 2jpo s MET 43 N 1.24 2.54 0.00 2.72 0.23 -1.26 -4.99 119.30 119.78 2jpo s MET 43 Ca -0.02 1.34 0.00 0.00 -1.03 0.00 0.00 55.69 55.98 2jpo s MET 43 Cb -0.20 -1.92 0.00 0.00 -1.53 0.00 0.00 34.83 31.18 2jpo s MET 43 CO -0.01 -1.44 0.00 0.25 -2.03 0.00 0.00 175.02 171.78 2jpo n THR 44 N -2.84 0.00 -2.57 3.16 -2.24 -1.26 -5.07 114.28 103.47 2jpo n THR 44 Ca 0.10 -0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.45 2jpo n THR 44 Cb 0.52 0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 68.99 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 -0.36 7.29 0.42 3.42 2.15 -1.26 -4.93 116.67 123.40 2jpo s ASP 45 Ca 0.00 1.95 0.13 0.00 0.43 0.00 0.00 52.55 55.06 2jpo s ASP 45 Cb 0.00 -2.59 0.91 0.00 -0.30 0.00 0.00 42.92 40.94 2jpo s ASP 45 CO 0.00 -0.24 1.95 0.08 -0.17 0.00 0.00 175.17 176.79 2jpo h ARG 46 N 5.79 0.06 -0.52 4.34 0.11 -1.97 -2.09 114.38 120.09 2jpo h ARG 46 Ca -0.43 -0.01 0.01 0.00 0.10 0.00 0.00 59.98 59.65 2jpo h ARG 46 Cb 1.21 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 32.26 2jpo h ARG 46 CO 0.74 0.25 0.34 -0.07 0.10 0.00 0.00 179.97 181.34 2jpo h LEU 47 N 0.06 0.57 -0.81 0.08 3.38 -1.95 -0.32 115.31 116.31 2jpo h LEU 47 Ca 0.01 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2jpo h LEU 47 Cb 0.38 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2jpo h LEU 47 CO 0.03 0.40 0.52 0.00 0.09 0.00 0.00 178.44 179.48 2jpo h ALA 48 N 1.69 1.07 -0.14 1.53 0.00 -1.68 0.12 119.26 121.84 2jpo h ALA 48 Ca 0.20 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 2jpo h ALA 48 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2jpo h ALA 48 CO -0.05 0.35 -0.43 0.78 0.00 0.00 0.00 179.25 179.90 2jpo h GLY 49 N 1.02 0.36 1.01 0.00 0.00 -1.34 -2.39 103.07 101.72 2jpo h GLY 49 Ca 0.32 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2jpo h GLY 49 CO -0.11 0.32 0.51 0.00 0.00 0.00 0.00 176.54 177.26 2jpo h ALA 51 N 1.28 0.47 0.27 0.00 0.00 -0.67 -1.25 119.26 119.36 2jpo h ALA 51 Ca 0.29 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2jpo h ALA 51 Cb -0.08 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2jpo h ALA 51 CO -0.06 -0.26 -0.32 0.82 0.00 0.00 0.00 179.25 179.43 2jpo h ILE 52 N 0.29 0.33 0.00 0.00 2.04 -0.88 -1.44 117.51 117.85 2jpo h ILE 52 Ca 0.19 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.02 2jpo h ILE 52 Cb 0.19 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2jpo h ILE 52 CO -0.21 0.00 -0.14 -0.55 0.00 0.00 0.00 178.15 177.25 2jpo h ASN 53 N -0.63 0.00 0.97 1.72 7.08 -1.09 0.19 115.58 123.82 2jpo h ASN 53 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2jpo h ASN 53 Cb 0.60 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.84 2jpo h ASN 53 CO -0.09 0.14 0.00 0.00 -2.08 0.00 0.00 177.43 175.40 2jpo n LEU 55 N -2.31 1.79 0.26 0.00 4.77 -0.05 -4.29 117.00 117.17 2jpo n LEU 55 Ca 0.03 0.23 0.17 0.00 -0.03 0.00 0.00 56.01 56.41 2jpo n LEU 55 Cb 0.29 -0.48 0.66 0.00 -2.33 0.00 0.00 43.42 41.56 2jpo n LEU 55 CO 0.23 0.66 0.98 0.00 -1.33 0.00 0.00 177.39 177.93 2jpo h ALA 56 N 0.49 1.00 0.00 -1.18 0.00 -1.07 0.73 119.26 119.24 2jpo h ALA 56 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2jpo h ALA 56 Cb 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2jpo h ALA 56 CO 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 179.25 179.24 2jpo h THR 57 N 0.00 0.00 -0.55 0.00 1.03 -1.66 -3.40 112.91 108.33 2jpo h THR 57 Ca 0.00 -0.67 -0.40 0.00 -0.01 0.00 0.00 66.41 65.32 2jpo h THR 57 Cb 0.51 1.63 -0.34 0.00 -1.07 0.00 0.00 68.15 68.88 2jpo h THR 57 CO 0.00 0.00 -0.79 1.17 -0.01 0.00 0.00 175.52 175.89 2jpo n LYS 58 N -2.55 2.94 0.18 0.00 4.81 0.25 -4.76 118.16 119.02 2jpo n LYS 58 Ca 0.05 -3.88 0.06 0.00 -0.87 0.00 0.00 58.31 53.67 2jpo n LYS 58 Cb 0.47 -2.02 0.53 0.00 0.02 0.00 0.00 35.03 34.02 2jpo n LYS 58 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2jpo h LEU 59 N 1.95 0.12 -0.54 3.14 -0.00 -1.77 0.19 115.31 118.40 2jpo h LEU 59 Ca 0.23 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.10 2jpo h LEU 59 Cb 1.42 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 42.05 2jpo h LEU 59 CO 0.54 0.17 0.00 -2.24 -0.00 0.00 0.00 178.44 176.90 2jpo h ASP 60 N 0.14 0.00 0.00 -0.43 2.03 -1.79 0.23 116.42 116.60 2jpo h ASP 60 Ca 0.03 0.00 -0.37 0.00 -0.73 0.00 0.00 57.03 55.96 2jpo h ASP 60 Cb 0.13 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.56 2jpo h ASP 60 CO 0.00 0.00 -2.39 0.55 -1.03 0.00 0.00 179.24 176.37 2jpo n VAL 61 N -2.42 1.40 -0.35 4.15 3.14 -0.47 -3.44 118.33 120.34 2jpo n VAL 61 Ca 0.03 -0.52 0.03 0.00 -2.96 0.00 0.00 64.34 60.92 2jpo n VAL 61 Cb 0.32 -1.41 0.17 0.00 -1.06 0.00 0.00 33.84 31.86 2jpo n VAL 61 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 2jpo h VAL 62 N -0.09 1.04 -1.89 1.55 2.07 -0.87 -3.40 116.25 114.67 2jpo h VAL 62 Ca -0.56 -0.37 -0.37 0.00 0.82 0.00 0.00 66.70 66.23 2jpo h VAL 62 Cb 1.82 -0.12 -0.30 0.00 -1.52 0.00 0.00 31.29 31.16 2jpo h VAL 62 CO -0.12 0.20 -0.70 -0.62 0.02 0.00 0.00 177.57 176.35 2jpo s ASP 63 N -5.82 0.89 0.00 0.57 2.15 0.06 -3.40 116.67 111.12 2jpo s ASP 63 Ca -0.12 -1.75 0.11 0.00 0.43 0.00 0.00 52.55 51.22 2jpo s ASP 63 Cb 0.20 0.60 0.67 0.00 -0.30 0.00 0.00 42.92 44.09 2jpo s ASP 63 CO 0.80 -0.23 1.15 -0.81 -0.17 0.00 0.00 175.17 175.92 2jpo n PRO 64 N 3.97 0.60 0.27 4.34 -0.04 -1.22 -0.59 135.00 142.33 2jpo n PRO 64 Ca 0.14 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.76 2jpo n PRO 64 Cb 0.47 -1.29 0.90 0.00 -0.04 0.00 0.00 33.50 33.53 2jpo n PRO 64 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2jpo h ASP 65 N 0.00 0.00 -0.12 3.54 3.32 -1.93 -3.46 116.42 117.77 2jpo h ASP 65 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2jpo h ASP 65 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2jpo h ASP 65 CO 0.00 0.00 -0.04 0.61 -1.72 0.00 0.00 179.24 178.09 2jpo n GLY 66 N -1.34 0.50 0.09 2.75 0.00 0.24 -4.94 105.19 102.47 2jpo n GLY 66 Ca -0.02 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.07 -2.43 1.61 -0.26 -1.90 -3.43 115.58 109.10 2jpo h ASN 67 Ca -0.04 -0.54 -0.54 0.00 -0.56 0.00 0.00 56.30 54.63 2jpo h ASN 67 Cb 0.25 0.02 0.04 0.00 -1.06 0.00 0.00 38.32 37.56 2jpo h ASN 67 CO 0.06 0.54 1.12 -0.11 -1.06 0.00 0.00 177.43 177.98 2jpo n LEU 68 N -4.83 4.00 -3.82 1.61 7.94 -1.26 -4.02 117.00 116.61 2jpo n LEU 68 Ca -0.08 0.97 -0.06 0.00 -1.11 0.00 0.00 56.01 55.73 2jpo n LEU 68 Cb 0.30 -1.53 0.00 0.00 0.53 0.00 0.00 43.42 42.72 2jpo n LEU 68 CO 0.31 0.15 0.63 -2.28 -1.11 0.00 0.00 177.39 175.09 2jpo s HIS 69 N 3.06 -0.03 -0.24 1.96 5.65 -1.26 -4.45 115.29 119.97 2jpo s HIS 69 Ca 0.84 -0.43 -0.37 0.00 0.25 0.00 0.00 55.06 55.35 2jpo s HIS 69 Cb -0.49 0.72 -0.13 0.00 -1.18 0.00 0.00 32.58 31.50 2jpo s HIS 69 CO 0.39 -1.14 1.92 0.72 -0.65 0.00 0.00 174.74 175.98 2jpo n HIS 70 N -0.53 2.01 -0.93 3.88 8.25 -1.26 -0.61 115.22 126.03 2jpo n HIS 70 Ca -0.05 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 2jpo n HIS 70 Cb 0.60 -2.54 0.00 0.00 1.12 0.00 0.00 29.99 29.17 2jpo n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jpo n GLY 71 N 4.95 0.08 1.10 -1.41 0.00 0.48 -4.84 105.19 105.55 2jpo n GLY 71 Ca 0.30 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.71 4.00 0.05 1.61 5.15 0.22 -4.58 115.26 120.99 2jpo n ASN 72 Ca 0.00 -3.10 0.03 0.00 -0.60 0.00 0.00 54.58 50.91 2jpo n ASN 72 Cb 0.36 -0.58 0.16 0.00 -0.53 0.00 0.00 39.78 39.18 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 -0.44 0.95 0.30 5.20 0.00 -1.26 -2.59 120.51 122.67 2jpo n ALA 73 Ca 0.25 0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.59 2jpo n ALA 73 Cb 0.98 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 19.32 2jpo n ALA 73 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2jpo h LYS 74 N 0.00 -0.74 -0.85 0.00 1.57 -1.90 0.18 116.57 114.84 2jpo h LYS 74 Ca 0.00 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 2jpo h LYS 74 Cb 0.07 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 2jpo h LYS 74 CO 0.00 -0.43 0.55 0.22 -0.57 0.00 0.00 179.45 179.22 2jpo h ASP 75 N -0.99 0.92 0.11 0.86 1.82 -1.75 0.13 116.42 117.51 2jpo h ASP 75 Ca -0.08 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.55 2jpo h ASP 75 Cb 0.65 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.45 2jpo h ASP 75 CO 0.13 0.64 -0.05 0.15 -1.61 0.00 0.00 179.24 178.50 2jpo h PHE 76 N 1.08 -0.13 -0.48 0.28 3.57 -1.59 -1.08 116.94 118.60 2jpo h PHE 76 Ca 0.33 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.85 2jpo h PHE 76 Cb -0.03 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 2jpo h PHE 76 CO -0.02 -0.04 0.28 0.00 -2.23 0.00 0.00 178.31 176.31 2jpo h ALA 77 N 0.70 0.61 -0.40 2.41 0.00 -0.08 -2.63 119.26 119.87 2jpo h ALA 77 Ca -0.01 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2jpo h ALA 77 Cb 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2jpo h ALA 77 CO 0.02 -0.02 0.14 0.52 0.00 0.00 0.00 179.25 179.91 2jpo h MET 78 N 0.57 0.30 0.00 0.00 2.86 -0.46 0.91 114.93 119.11 2jpo h MET 78 Ca 0.19 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2jpo h MET 78 Cb 0.02 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.61 2jpo h MET 78 CO -0.09 0.20 0.00 1.63 1.06 0.00 0.00 176.91 179.71 2jpo n LYS 79 N -5.01 0.37 0.03 1.72 4.76 -0.43 -3.83 118.16 115.76 2jpo n LYS 79 Ca 0.02 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 2jpo n LYS 79 Cb 0.15 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 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 -1.17 -0.08 0.00 2.13 8.25 -0.78 -5.05 115.22 118.52 2jpo n HIS 80 Ca 0.10 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 2jpo n HIS 80 Cb 0.10 0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.24 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 3.16 -1.01 3.36 -1.41 0.00 0.21 -5.11 105.19 104.39 2jpo n GLY 81 Ca 0.00 0.43 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 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 0.72 0.37 4.61 0.00 -0.54 -4.93 121.76 121.98 2jpo s ALA 82 Ca 0.00 -1.44 0.03 0.00 0.00 0.00 0.00 51.96 50.56 2jpo s ALA 82 Cb 0.00 1.27 -0.04 0.00 0.00 0.00 0.00 23.12 24.35 2jpo s ALA 82 CO 0.00 -0.70 0.10 -0.51 0.00 0.00 0.00 175.76 174.65 2jpo s ASP 83 N -3.14 2.55 0.37 0.00 1.01 -1.26 -4.15 116.67 112.04 2jpo s ASP 83 Ca 0.33 -1.56 0.10 0.00 0.71 0.00 0.00 52.55 52.13 2jpo s ASP 83 Cb 0.03 0.31 0.87 0.00 1.01 0.00 0.00 42.92 45.13 2jpo s ASP 83 CO 0.13 -0.82 1.86 -0.08 0.21 0.00 0.00 175.17 176.48 2jpo h GLU 84 N 1.93 0.62 0.87 8.23 4.81 -1.98 0.19 114.58 129.25 2jpo h GLU 84 Ca -0.37 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.78 2jpo h GLU 84 Cb 1.26 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 30.51 2jpo h GLU 84 CO 0.61 0.41 -0.42 1.15 -0.73 0.00 0.00 179.01 180.03 2jpo h THR 85 N 0.64 0.00 -0.79 0.32 2.02 -1.97 0.92 112.91 114.06 2jpo h THR 85 Ca 0.46 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.52 2jpo h THR 85 Cb 0.81 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 2jpo h THR 85 CO -0.21 0.00 0.52 0.24 0.37 0.00 0.00 175.52 176.44 2jpo h MET 86 N -1.30 1.01 0.13 6.66 2.86 -1.53 0.29 114.93 123.06 2jpo h MET 86 Ca -0.12 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 2jpo h MET 86 Cb 0.89 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.32 2jpo h MET 86 CO 0.20 0.67 -0.06 0.00 1.06 0.00 0.00 176.91 178.77 2jpo h ALA 87 N 1.52 -0.17 0.00 6.32 0.00 -0.70 -2.16 119.26 124.07 2jpo h ALA 87 Ca 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2jpo h ALA 87 Cb -0.08 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2jpo h ALA 87 CO -0.07 -0.45 0.00 0.37 0.00 0.00 0.00 179.25 179.10 2jpo h GLN 88 N -0.46 0.00 0.73 0.00 5.75 -0.29 -0.53 115.11 120.31 2jpo h GLN 88 Ca -0.02 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.45 2jpo h GLN 88 Cb 0.37 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.93 2jpo h GLN 88 CO 0.03 0.00 -0.35 1.96 -2.65 0.00 0.00 178.83 177.82 2jpo h GLN 89 N 0.00 -0.95 -0.57 1.69 4.20 -0.34 -2.75 115.11 116.40 2jpo h GLN 89 Ca 0.00 0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.79 2jpo h GLN 89 Cb 0.47 0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.44 2jpo h GLN 89 CO 0.00 -0.62 0.37 -0.07 -0.67 0.00 0.00 178.83 177.84 2jpo h LEU 90 N -1.23 0.63 -1.25 1.46 3.38 -0.66 -1.05 115.31 116.59 2jpo h LEU 90 Ca -0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2jpo h LEU 90 Cb 0.77 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2jpo h LEU 90 CO 0.17 0.45 0.30 1.62 0.09 0.00 0.00 178.44 181.07 2jpo h VAL 91 N 0.74 1.19 -0.09 1.22 3.04 -1.26 -1.93 116.25 119.15 2jpo h VAL 91 Ca 0.21 -0.50 -0.09 0.00 -1.01 0.00 0.00 66.70 65.32 2jpo h VAL 91 Cb -0.06 0.41 -0.01 0.00 -2.01 0.00 0.00 31.29 29.63 2jpo h VAL 91 CO -0.06 0.21 -0.33 -0.78 -1.01 0.00 0.00 177.57 175.60 2jpo h ASP 92 N 0.83 0.18 0.16 3.17 3.58 -0.93 0.21 116.42 123.62 2jpo h ASP 92 Ca 0.21 -0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.60 2jpo h ASP 92 Cb 0.06 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 2jpo h ASP 92 CO -0.03 0.51 -0.19 0.40 -2.88 0.00 0.00 179.24 177.05 2jpo h ILE 93 N 0.16 0.58 0.02 2.25 1.08 -0.43 0.12 117.51 121.30 2jpo h ILE 93 Ca 0.02 0.00 -0.27 0.00 -0.39 0.00 0.00 64.86 64.22 2jpo h ILE 93 Cb 0.67 0.58 0.02 0.00 -3.07 0.00 0.00 36.82 35.02 2jpo h ILE 93 CO 0.05 0.00 -1.07 -0.29 -0.69 0.00 0.00 178.15 176.15 2jpo h ILE 94 N -0.39 1.29 0.00 -0.67 6.09 -1.32 -2.58 117.51 119.93 2jpo h ILE 94 Ca 0.01 -2.31 -0.01 0.00 -1.37 0.00 0.00 64.86 61.18 2jpo h ILE 94 Cb 0.38 2.44 -0.00 0.00 0.47 0.00 0.00 36.82 40.11 2jpo h ILE 94 CO -0.07 0.71 -0.05 0.45 -3.07 0.00 0.00 178.15 176.13 2jpo h HIS 95 N 0.36 0.00 0.34 2.19 3.86 -0.53 0.27 115.15 121.64 2jpo h HIS 95 Ca -0.14 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.06 2jpo h HIS 95 Cb 1.73 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.20 2jpo h HIS 95 CO 0.10 0.05 -0.16 0.78 0.86 0.00 0.00 177.93 179.56 2jpo h GLY 96 N 0.54 -0.48 2.00 2.45 0.00 -0.40 -3.32 103.07 103.86 2jpo h GLY 96 Ca -0.00 0.18 -0.09 0.00 0.00 0.00 0.00 47.33 47.41 2jpo h GLY 96 CO 0.01 -0.17 -0.44 0.00 0.00 0.00 0.00 176.54 175.93 2jpo h GLU 98 N 0.00 0.61 0.24 0.00 -0.00 -0.65 0.50 114.58 115.29 2jpo h GLU 98 Ca -0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 59.36 59.21 2jpo h GLU 98 Cb 0.89 -0.09 0.00 0.00 -0.00 0.00 0.00 28.75 29.55 2jpo h GLU 98 CO 0.06 0.61 -0.12 0.87 -0.00 0.00 0.00 179.01 180.43 2jpo h LYS 99 N 0.49 -0.31 0.00 1.06 1.57 -1.62 -3.22 116.57 114.54 2jpo h LYS 99 Ca 0.13 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2jpo h LYS 99 Cb 0.25 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2jpo h LYS 99 CO -0.00 0.05 0.00 0.43 -0.57 0.00 0.00 179.45 179.36 2jpo n SER 100 N -5.02 0.00 -4.56 0.86 7.64 -0.31 -4.91 113.62 107.32 2jpo n SER 100 Ca -0.08 -0.83 -0.41 0.00 1.01 0.00 0.00 58.87 58.57 2jpo n SER 100 Cb 0.26 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.48 2jpo n SER 100 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jpo n ALA 101 N -0.70 -0.33 -1.75 -0.43 0.00 0.16 -4.95 120.51 112.51 2jpo n ALA 101 Ca 0.05 0.17 -0.35 0.00 0.00 0.00 0.00 53.44 53.30 2jpo n ALA 101 Cb 0.02 -1.99 0.01 0.00 0.00 0.00 0.00 19.45 17.49 2jpo n ALA 101 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jpo s PRO 102 N -2.01 3.21 -0.62 0.00 0.04 -1.26 -4.87 135.00 129.49 2jpo s PRO 102 Ca 0.65 1.66 -0.26 0.00 0.04 0.00 0.00 61.00 63.09 2jpo s PRO 102 Cb -0.54 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 31.99 2jpo s PRO 102 CO 0.56 -0.98 1.88 -1.25 0.04 0.00 0.00 177.00 177.25 2jpo s PRO 103 N -3.35 2.61 -0.38 0.56 0.04 -1.26 -4.73 135.00 128.49 2jpo s PRO 103 Ca 0.74 0.59 -0.03 0.00 0.04 0.00 0.00 61.00 62.34 2jpo s PRO 103 Cb -0.25 -4.42 0.19 0.00 0.04 0.00 0.00 34.50 30.06 2jpo s PRO 103 CO 0.29 -2.78 0.93 1.21 0.04 0.00 0.00 177.00 176.69 2jpo s ASN 104 N 8.20 -0.74 -0.86 6.66 2.47 -1.26 -5.11 114.94 124.30 2jpo s ASN 104 Ca 0.68 -0.57 -0.25 0.00 0.42 0.00 0.00 52.86 53.14 2jpo s ASN 104 Cb -0.12 0.95 0.03 0.00 -1.45 0.00 0.00 41.25 40.65 2jpo s ASN 104 CO 0.20 -0.06 1.46 -1.81 -3.72 0.00 0.00 177.10 173.17 2jpo s ASP 105 N 1.52 6.14 -0.06 -4.21 1.01 -1.26 -3.76 116.67 116.05 2jpo s ASP 105 Ca 0.19 -0.84 -0.03 0.00 0.71 0.00 0.00 52.55 52.59 2jpo s ASP 105 Cb 0.04 -2.56 0.04 0.00 1.01 0.00 0.00 42.92 41.44 2jpo s ASP 105 CO -0.11 -1.82 0.14 -0.62 0.21 0.00 0.00 175.17 172.97 2jpo s ASP 106 N 5.01 -0.10 0.52 0.27 -1.08 -1.26 -4.97 116.67 115.06 2jpo s ASP 106 Ca 0.45 0.29 0.26 0.00 -0.52 0.00 0.00 52.55 53.04 2jpo s ASP 106 Cb -0.05 0.18 1.42 0.00 -1.46 0.00 0.00 42.92 43.02 2jpo s ASP 106 CO 0.03 -0.14 2.07 0.07 0.52 0.00 0.00 175.17 177.72 2jpo h LYS 107 N 7.17 0.00 0.00 4.34 2.10 -1.98 -0.90 116.57 127.29 2jpo h LYS 107 Ca -0.42 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 57.87 2jpo h LYS 107 Cb 1.14 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.42 2jpo h LYS 107 CO 0.43 0.12 -2.08 0.00 -2.00 0.00 0.00 179.45 175.92 2jpo h MET 109 N -1.00 0.17 -0.32 0.00 2.86 -1.82 -1.74 114.93 113.09 2jpo h MET 109 Ca -0.54 -0.29 0.02 0.00 -2.06 0.00 0.00 59.70 56.82 2jpo h MET 109 Cb 1.46 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 33.20 2jpo h MET 109 CO -0.33 0.97 0.18 -0.22 1.06 0.00 0.00 176.91 178.57 2jpo h LYS 110 N 0.05 0.35 -0.76 1.72 3.64 -1.25 -2.09 116.57 118.23 2jpo h LYS 110 Ca -0.25 -0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.24 2jpo h LYS 110 Cb 1.99 -0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 33.65 2jpo h LYS 110 CO 0.13 0.23 0.34 1.15 -2.27 0.00 0.00 179.45 179.03 2jpo h THR 111 N 0.36 0.72 0.60 1.00 2.02 -1.62 -1.11 112.91 114.89 2jpo h THR 111 Ca 0.13 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 2jpo h THR 111 Cb 0.02 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.58 2jpo h THR 111 CO -0.07 0.09 -0.37 0.40 0.37 0.00 0.00 175.52 175.94 2jpo h ILE 112 N 0.52 0.24 -0.20 3.11 2.04 -0.85 -0.17 117.51 122.21 2jpo h ILE 112 Ca 0.41 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.32 2jpo h ILE 112 Cb 0.56 0.24 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 2jpo h ILE 112 CO -0.36 0.00 -0.17 0.44 0.00 0.00 0.00 178.15 178.06 2jpo h ASP 113 N -0.92 -0.53 -0.86 1.72 3.32 -0.79 0.31 116.42 118.66 2jpo h ASP 113 Ca -0.07 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2jpo h ASP 113 Cb 0.75 0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 2jpo h ASP 113 CO 0.08 -0.21 0.51 0.58 -1.72 0.00 0.00 179.24 178.47 2jpo h VAL 114 N -0.18 1.24 -0.23 -1.35 2.07 -1.23 -1.03 116.25 115.54 2jpo h VAL 114 Ca 0.12 -0.55 -0.18 0.00 0.82 0.00 0.00 66.70 66.92 2jpo h VAL 114 Cb 0.36 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2jpo h VAL 114 CO -0.30 0.26 -0.56 0.00 0.02 0.00 0.00 177.57 176.98 2jpo h ALA 115 N 1.27 0.57 -0.03 1.67 0.00 -0.17 -2.40 119.26 120.18 2jpo h ALA 115 Ca 0.31 -0.52 -0.21 0.00 0.00 0.00 0.00 54.91 54.49 2jpo h ALA 115 Cb -0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2jpo h ALA 115 CO -0.06 0.69 -0.87 0.00 0.00 0.00 0.00 179.25 179.01 2jpo h MET 116 N 0.54 0.39 -0.78 0.00 -0.00 -0.80 -2.92 114.93 111.36 2jpo h MET 116 Ca 0.01 -0.39 0.15 0.00 -0.00 0.00 0.00 59.70 59.47 2jpo h MET 116 Cb 1.14 0.10 -0.10 0.00 -0.00 0.00 0.00 31.60 32.75 2jpo h MET 116 CO 0.12 1.05 0.33 0.00 -0.00 0.00 0.00 176.91 178.41 2jpo h PHE 118 N 0.47 -0.84 -0.93 0.00 3.04 -1.23 0.84 116.94 118.29 2jpo h PHE 118 Ca 0.43 0.05 0.13 0.00 3.98 0.00 0.00 57.97 62.56 2jpo h PHE 118 Cb 0.66 0.42 -0.09 0.00 2.56 0.00 0.00 35.95 39.50 2jpo h PHE 118 CO -0.15 -0.37 0.55 -0.22 -2.02 0.00 0.00 178.31 176.10 2jpo h LYS 119 N -0.28 0.80 -0.19 1.11 3.64 -1.48 -0.73 116.57 119.45 2jpo h LYS 119 Ca 0.15 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.37 2jpo h LYS 119 Cb 0.52 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2jpo h LYS 119 CO -0.47 0.53 -0.32 0.87 -2.27 0.00 0.00 179.45 177.79 2jpo h LYS 120 N 0.83 0.55 0.00 1.90 1.79 -1.05 -3.06 116.57 117.53 2jpo h LYS 120 Ca 0.48 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2jpo h LYS 120 Cb 0.57 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 2jpo h LYS 120 CO -0.30 0.95 0.00 0.39 -1.08 0.00 0.00 179.45 179.40 2jpo n GLU 121 N -4.33 0.05 0.30 3.15 -0.58 0.14 -0.94 120.64 118.44 2jpo n GLU 121 Ca -0.06 0.29 0.16 0.00 -0.42 0.00 0.00 57.16 57.13 2jpo n GLU 121 Cb 0.49 -1.60 0.94 0.00 -0.57 0.00 0.00 31.44 30.70 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 0.46 -0.88 -3.67 2.04 -1.07 -0.59 117.51 113.79 2jpo h ILE 122 Ca 0.00 -0.06 0.07 0.00 1.00 0.00 0.00 64.86 65.88 2jpo h ILE 122 Cb 0.29 1.04 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 2jpo h ILE 122 CO 0.00 0.01 0.54 0.45 0.00 0.00 0.00 178.15 179.16 2jpo h HIS 123 N 0.00 1.00 -0.00 1.37 3.86 -1.19 -1.98 115.15 118.20 2jpo h HIS 123 Ca -0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2jpo h HIS 123 Cb 0.04 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.19 2jpo h HIS 123 CO 0.00 0.48 -0.22 0.36 0.86 0.00 0.00 177.93 179.41 2jpo n LYS 124 N -4.63 0.34 -0.00 2.45 -0.00 -0.25 -2.70 118.16 113.37 2jpo n LYS 124 Ca 0.14 -0.14 -0.17 0.00 -0.00 0.00 0.00 58.31 58.13 2jpo n LYS 124 Cb 0.21 -1.50 -0.07 0.00 -0.00 0.00 0.00 35.03 33.68 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 0.34 0.91 0.00 -5.58 3.38 -1.13 -3.47 115.31 109.76 2jpo h LEU 125 Ca 0.00 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2jpo h LEU 125 Cb 0.45 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2jpo h LEU 125 CO 0.00 1.43 0.00 0.59 0.09 0.00 0.00 178.44 180.55 2jpo n ASN 126 N -3.91 0.00 -4.05 -0.43 5.03 -0.94 -4.94 115.26 106.02 2jpo n ASN 126 Ca -0.08 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 55.11 2jpo n ASN 126 Cb 0.78 -0.05 0.16 0.00 -1.02 0.00 0.00 39.78 39.65 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 -0.94 -3.59 -3.81 3.10 4.27 -1.26 -5.05 117.44 110.16 2jpo n TRP 127 Ca 0.00 -1.34 -0.27 0.00 -3.89 0.00 0.00 57.50 52.00 2jpo n TRP 127 Cb 0.00 -0.86 -0.17 0.00 -1.36 0.00 0.00 31.31 28.92 2jpo n TRP 127 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 2jpo s VAL 128 N -3.43 0.79 0.61 -1.67 0.11 -1.26 -4.89 120.40 110.67 2jpo s VAL 128 Ca 0.68 -0.55 -0.12 0.00 -2.93 0.00 0.00 61.98 59.06 2jpo s VAL 128 Cb -0.03 -1.12 -0.04 0.00 -1.53 0.00 0.00 36.38 33.67 2jpo s VAL 128 CO 0.47 -0.02 1.03 -2.16 -3.33 0.00 0.00 175.10 171.09 2jpo s PRO 129 N 1.75 3.51 1.00 1.54 0.04 -1.26 -5.08 135.00 136.51 2jpo s PRO 129 Ca -0.00 0.86 -0.12 0.00 0.04 0.00 0.00 61.00 61.78 2jpo s PRO 129 Cb -0.16 -2.07 0.19 0.00 0.04 0.00 0.00 34.50 32.50 2jpo s PRO 129 CO -0.07 -0.64 1.08 -0.80 0.04 0.00 0.00 177.00 176.61 2jpo s ASN 130 N -3.81 2.41 0.16 6.66 0.01 -1.26 -4.86 114.94 114.24 2jpo s ASN 130 Ca 0.57 1.60 -0.18 0.00 -0.71 0.00 0.00 52.86 54.14 2jpo s ASN 130 Cb -0.12 -2.26 0.06 0.00 0.41 0.00 0.00 41.25 39.34 2jpo s ASN 130 CO 0.49 -3.33 1.67 0.24 -1.51 0.00 0.00 177.10 174.66 2jpo h MET 131 N -2.02 -0.04 0.21 -0.60 2.86 -1.98 -2.20 114.93 111.16 2jpo h MET 131 Ca -0.53 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.10 2jpo h MET 131 Cb 1.30 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.97 2jpo h MET 131 CO 0.51 -0.02 -0.10 -0.44 1.06 0.00 0.00 176.91 177.91 2jpo h ASP 132 N -0.04 -0.24 -0.55 1.22 5.19 -1.99 -1.85 116.42 118.17 2jpo h ASP 132 Ca 0.16 -0.03 0.05 0.00 -0.62 0.00 0.00 57.03 56.60 2jpo h ASP 132 Cb 0.28 0.06 -0.07 0.00 0.18 0.00 0.00 39.33 39.79 2jpo h ASP 132 CO -0.36 -0.13 -0.34 -0.07 -3.12 0.00 0.00 179.24 175.22 2jpo h LEU 133 N -0.33 -1.24 -1.17 1.55 4.07 -1.92 0.29 115.31 116.57 2jpo h LEU 133 Ca -0.03 0.19 0.11 0.00 0.08 0.00 0.00 57.88 58.23 2jpo h LEU 133 Cb 0.25 0.55 -0.07 0.00 1.08 0.00 0.00 40.66 42.47 2jpo h LEU 133 CO 0.05 -0.14 0.59 0.58 -1.08 0.00 0.00 178.44 178.44 2jpo h VAL 134 N -0.02 0.94 0.00 1.22 2.07 -1.02 -1.70 116.25 117.75 2jpo h VAL 134 Ca 0.09 -0.30 -0.12 0.00 0.82 0.00 0.00 66.70 67.19 2jpo h VAL 134 Cb 0.25 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 2jpo h VAL 134 CO -0.53 0.16 -0.66 0.40 0.02 0.00 0.00 177.57 176.97 2jpo h ILE 135 N 0.89 1.17 -0.79 4.57 2.04 -0.71 -3.29 117.51 121.40 2jpo h ILE 135 Ca 0.44 -2.12 0.20 0.00 1.00 0.00 0.00 64.86 64.37 2jpo h ILE 135 Cb 0.47 2.46 -0.04 0.00 -0.74 0.00 0.00 36.82 38.96 2jpo h ILE 135 CO -0.20 0.40 0.54 1.23 0.00 0.00 0.00 178.15 180.12 2jpo h GLY 136 N -1.00 0.39 0.48 5.37 0.00 -0.41 -2.45 103.07 105.45 2jpo h GLY 136 Ca -0.17 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 2jpo h GLY 136 CO -0.11 0.01 -0.04 -2.09 0.00 0.00 0.00 176.54 174.31 2jpo h GLU 137 N 0.19 -0.12 -0.10 4.80 4.57 -1.39 -0.80 114.58 121.74 2jpo h GLU 137 Ca 0.39 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.60 2jpo h GLU 137 Cb 1.23 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.83 2jpo h GLU 137 CO -0.08 0.34 -0.03 -0.24 -1.18 0.00 0.00 179.01 177.83 2jpo h VAL 138 N -0.64 0.89 -0.82 0.32 3.04 -1.60 -1.42 116.25 116.01 2jpo h VAL 138 Ca -0.01 0.00 0.19 0.00 -1.01 0.00 0.00 66.70 65.86 2jpo h VAL 138 Cb 0.52 0.89 -0.12 0.00 -2.01 0.00 0.00 31.29 30.57 2jpo h VAL 138 CO 0.02 0.00 0.28 -0.07 -1.01 0.00 0.00 177.57 176.80 2jpo h LEU 139 N -0.01 0.17 -0.50 3.16 4.07 -1.47 0.31 115.31 121.05 2jpo h LEU 139 Ca 0.05 0.15 -0.17 0.00 0.08 0.00 0.00 57.88 57.99 2jpo h LEU 139 Cb 0.08 0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 2jpo h LEU 139 CO -0.11 -0.01 -0.61 0.00 -1.08 0.00 0.00 178.44 176.63 2jpo h ALA 140 N 1.66 0.69 0.20 1.53 0.00 -0.67 -3.34 119.26 119.33 2jpo h ALA 140 Ca 0.49 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2jpo h ALA 140 Cb 0.87 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2jpo h ALA 140 CO -0.52 0.71 -0.10 1.49 0.00 0.00 0.00 179.25 180.84 2jpo h GLU 141 N 0.35 -0.26 0.00 0.00 4.22 -0.20 0.14 114.58 118.82 2jpo h GLU 141 Ca -0.01 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2jpo h GLU 141 Cb 1.16 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2jpo h GLU 141 CO 0.11 0.13 0.00 0.28 -2.18 0.00 0.00 179.01 177.34