#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpo n PRO 2 N 0.00 3.21 -0.10 4.33 -0.04 -1.26 -4.72 135.00 136.42 2jpo n PRO 2 Ca 0.00 -3.15 -0.16 0.00 -0.04 0.00 0.00 63.50 60.16 2jpo n PRO 2 Cb 0.00 -3.18 -0.06 0.00 -0.04 0.00 0.00 33.50 30.22 2jpo n PRO 2 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2jpo n GLU 3 N 5.71 0.53 -2.46 0.54 2.13 -1.26 -4.75 120.64 121.08 2jpo n GLU 3 Ca 0.46 0.35 -0.03 0.00 0.66 0.00 0.00 57.16 58.60 2jpo n GLU 3 Cb 0.40 -1.55 0.05 0.00 0.27 0.00 0.00 31.44 30.60 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 -4.43 1.32 -2.21 6.31 -5.35 -1.26 -4.88 119.36 108.86 2jpo n ILE 4 Ca -0.26 -2.87 0.04 0.00 -0.27 0.00 0.00 62.75 59.38 2jpo n ILE 4 Cb 0.59 0.84 0.06 0.00 -1.74 0.00 0.00 39.64 39.39 2jpo n ILE 4 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 2jpo n MET 5 N -0.48 0.38 -1.83 6.28 2.81 -1.26 -4.80 117.12 118.21 2jpo n MET 5 Ca 0.13 -2.19 0.02 0.00 -1.81 0.00 0.00 57.70 53.85 2jpo n MET 5 Cb 0.87 -0.44 0.02 0.00 -0.71 0.00 0.00 33.22 32.96 2jpo n MET 5 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2jpo n LYS 6 N 0.04 0.47 -3.87 0.03 2.85 -1.26 -4.87 118.16 111.55 2jpo n LYS 6 Ca 0.08 -2.30 -0.30 0.00 -1.05 0.00 0.00 58.31 54.74 2jpo n LYS 6 Cb 0.99 -0.37 -0.14 0.00 -0.65 0.00 0.00 35.03 34.86 2jpo n LYS 6 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2jpo s ASN 7 N -2.37 4.19 -1.42 -5.58 0.01 -1.26 -4.72 114.94 103.77 2jpo s ASN 7 Ca 0.30 -2.51 -0.17 0.00 -0.71 0.00 0.00 52.86 49.76 2jpo s ASN 7 Cb 0.35 -1.35 0.17 0.00 0.41 0.00 0.00 41.25 40.83 2jpo s ASN 7 CO -0.13 -0.30 0.48 -0.11 -1.51 0.00 0.00 177.10 175.53 2jpo n LEU 8 N 3.74 -0.79 -0.00 0.60 -0.00 -1.26 -4.78 117.00 114.50 2jpo n LEU 8 Ca 0.05 -0.79 -0.00 0.00 -0.00 0.00 0.00 56.01 55.27 2jpo n LEU 8 Cb 0.36 -1.56 -0.00 0.00 -0.00 0.00 0.00 43.42 42.22 2jpo n LEU 8 CO 0.25 0.10 -0.03 -0.24 -0.00 0.00 0.00 177.39 177.48 2jpo n SER 9 N -2.26 0.09 -0.12 1.96 2.88 -1.26 -4.18 113.62 110.73 2jpo n SER 9 Ca 0.08 0.02 -0.04 0.00 -1.33 0.00 0.00 58.87 57.59 2jpo n SER 9 Cb 0.47 -0.36 0.03 0.00 -0.75 0.00 0.00 64.21 63.61 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 -0.04 -0.10 -0.84 -3.46 2.35 -1.89 -2.44 115.58 109.16 2jpo h ASN 10 Ca 0.00 0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 2jpo h ASN 10 Cb 0.04 0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 2jpo h ASN 10 CO 0.00 -0.01 0.39 0.78 -1.65 0.00 0.00 177.43 176.93 2jpo h ASN 11 N 0.15 1.11 0.21 5.81 2.35 -1.84 0.53 115.58 123.91 2jpo h ASN 11 Ca 0.20 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 2jpo h ASN 11 Cb 0.27 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2jpo h ASN 11 CO -0.30 0.95 -0.10 0.15 -1.65 0.00 0.00 177.43 176.47 2jpo h PHE 12 N 1.20 -0.26 -0.56 1.19 3.04 -1.50 -1.20 116.94 118.85 2jpo h PHE 12 Ca 0.29 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.23 2jpo h PHE 12 Cb 0.15 0.09 -0.03 0.00 2.56 0.00 0.00 35.95 38.71 2jpo h PHE 12 CO 0.02 -0.04 0.36 0.78 -2.02 0.00 0.00 178.31 177.41 2jpo h GLY 13 N -0.45 0.79 0.49 2.40 0.00 -1.25 -2.35 103.07 102.70 2jpo h GLY 13 Ca -0.03 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.01 2jpo h GLY 13 CO 0.05 0.29 -0.33 1.70 0.00 0.00 0.00 176.54 178.25 2jpo h LYS 14 N 0.76 -0.59 0.00 4.80 3.64 -0.32 -0.07 116.57 124.80 2jpo h LYS 14 Ca 0.20 0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.55 2jpo h LYS 14 Cb -0.07 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2jpo h LYS 14 CO -0.04 -0.39 -0.34 0.00 -2.27 0.00 0.00 179.45 176.41 2jpo h ALA 15 N -0.02 1.39 0.02 5.00 0.00 -0.82 0.33 119.26 125.16 2jpo h ALA 15 Ca 0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2jpo h ALA 15 Cb 0.60 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jpo h ALA 15 CO -0.15 0.43 -0.01 1.98 0.00 0.00 0.00 179.25 181.50 2jpo h MET 16 N 0.00 -0.03 -0.82 0.00 1.85 -1.17 -2.38 114.93 112.39 2jpo h MET 16 Ca -0.00 0.00 0.10 0.00 -0.61 0.00 0.00 59.70 59.19 2jpo h MET 16 Cb 0.62 0.01 -0.07 0.00 0.43 0.00 0.00 31.60 32.58 2jpo h MET 16 CO 0.04 -0.00 0.46 0.22 -0.40 0.00 0.00 176.91 177.23 2jpo h ASP 17 N -0.04 0.65 -0.92 1.39 3.58 0.78 0.31 116.42 122.16 2jpo h ASP 17 Ca -0.00 0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.54 2jpo h ASP 17 Cb 0.04 -0.07 -0.05 0.00 1.72 0.00 0.00 39.33 40.96 2jpo h ASP 17 CO 0.00 0.36 0.61 1.56 -2.88 0.00 0.00 179.24 178.90 2jpo h GLN 18 N 0.76 1.12 0.03 0.28 1.08 -0.87 -1.78 115.11 115.74 2jpo h GLN 18 Ca 0.40 -0.07 -0.12 0.00 -1.45 0.00 0.00 58.65 57.41 2jpo h GLN 18 Cb 0.38 -0.25 0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2jpo h GLN 18 CO -0.26 0.74 -0.48 0.00 -0.95 0.00 0.00 178.83 177.88 2jpo n LYS 20 N -4.33 0.00 -0.07 0.00 4.81 0.89 -0.44 118.16 119.02 2jpo n LYS 20 Ca -0.11 0.41 -0.11 0.00 -0.87 0.00 0.00 58.31 57.63 2jpo n LYS 20 Cb 0.63 -1.58 -0.04 0.00 0.02 0.00 0.00 35.03 34.07 2jpo n LYS 20 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2jpo n ASP 21 N -1.41 1.60 -0.20 3.14 8.00 -0.68 -2.70 116.55 124.30 2jpo n ASP 21 Ca 0.00 0.26 -0.08 0.00 0.71 0.00 0.00 54.79 55.68 2jpo n ASP 21 Cb 0.08 -0.61 0.02 0.00 -0.02 0.00 0.00 41.12 40.59 2jpo n ASP 21 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2jpo h GLU 22 N -0.71 0.87 0.00 -1.24 5.08 -0.92 -3.25 114.58 114.41 2jpo h GLU 22 Ca -0.17 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2jpo h GLU 22 Cb 0.96 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2jpo h GLU 22 CO -0.10 0.78 -1.03 1.28 -1.00 0.00 0.00 179.01 178.93 2jpo n LEU 23 N -4.45 0.71 -1.48 1.33 4.77 0.41 -4.98 117.00 113.31 2jpo n LEU 23 Ca 0.03 -0.23 -0.14 0.00 -0.03 0.00 0.00 56.01 55.63 2jpo n LEU 23 Cb 0.19 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 2jpo n LEU 23 CO 0.39 0.15 -0.17 -0.24 -1.33 0.00 0.00 177.39 176.19 2jpo n SER 24 N -1.71 -4.51 -4.71 -1.43 2.88 -1.10 -4.92 113.62 98.12 2jpo n SER 24 Ca 0.03 0.10 -0.43 0.00 -1.33 0.00 0.00 58.87 57.24 2jpo n SER 24 Cb 0.39 -3.55 -0.02 0.00 -0.75 0.00 0.00 64.21 60.28 2jpo n SER 24 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2jpo n LEU 25 N -1.94 3.79 -4.78 2.46 4.77 -1.22 -4.91 117.00 115.18 2jpo n LEU 25 Ca -0.16 1.16 -0.33 0.00 -0.03 0.00 0.00 56.01 56.64 2jpo n LEU 25 Cb 0.58 -1.52 0.04 0.00 -2.33 0.00 0.00 43.42 40.19 2jpo n LEU 25 CO 0.21 -0.18 0.74 -2.16 -1.33 0.00 0.00 177.39 174.67 2jpo s PRO 26 N -0.74 2.95 0.61 3.23 0.04 -1.26 -4.75 135.00 135.08 2jpo s PRO 26 Ca 0.64 1.39 0.40 0.00 0.04 0.00 0.00 61.00 63.47 2jpo s PRO 26 Cb -0.56 -1.97 2.03 0.00 0.04 0.00 0.00 34.50 34.04 2jpo s PRO 26 CO 0.52 -1.13 2.21 0.22 0.04 0.00 0.00 177.00 178.86 2jpo h ASP 27 N 0.24 0.00 0.53 6.66 3.58 -1.98 0.13 116.42 125.58 2jpo h ASP 27 Ca -0.47 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.96 2jpo h ASP 27 Cb 1.24 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.29 2jpo h ASP 27 CO 0.55 0.00 -0.33 -1.28 -2.88 0.00 0.00 179.24 175.30 2jpo h SER 28 N 0.00 -0.84 -0.28 2.28 0.87 -1.98 -0.80 113.55 112.80 2jpo h SER 28 Ca 0.00 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.54 2jpo h SER 28 Cb 0.17 0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 2jpo h SER 28 CO 0.00 -0.51 -0.04 0.58 -0.53 0.00 0.00 176.83 176.33 2jpo h VAL 29 N -0.81 1.23 0.29 2.23 2.07 -1.21 0.31 116.25 120.36 2jpo h VAL 29 Ca -0.07 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 2jpo h VAL 29 Cb 0.65 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2jpo h VAL 29 CO 0.07 0.33 -0.14 0.58 0.02 0.00 0.00 177.57 178.43 2jpo h VAL 30 N 0.60 0.74 -0.52 2.57 2.07 -0.98 0.96 116.25 121.70 2jpo h VAL 30 Ca 0.12 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 67.22 2jpo h VAL 30 Cb 0.44 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2jpo h VAL 30 CO 0.02 0.07 -0.02 0.00 0.02 0.00 0.00 177.57 177.66 2jpo h ALA 31 N 0.09 0.99 -0.72 1.67 0.00 -0.91 -2.39 119.26 117.98 2jpo h ALA 31 Ca -0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2jpo h ALA 31 Cb 0.41 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2jpo h ALA 31 CO 0.07 0.62 0.43 0.22 0.00 0.00 0.00 179.25 180.58 2jpo h ASP 32 N 0.83 0.87 -0.17 0.00 3.58 -0.31 -1.94 116.42 119.27 2jpo h ASP 32 Ca 0.15 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.55 2jpo h ASP 32 Cb 0.51 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 2jpo h ASP 32 CO 0.03 0.68 0.10 -0.07 -2.88 0.00 0.00 179.24 177.09 2jpo h LEU 33 N 1.00 0.21 -0.78 2.28 4.07 -0.30 -2.46 115.31 119.32 2jpo h LEU 33 Ca 0.26 -0.07 0.06 0.00 0.08 0.00 0.00 57.88 58.21 2jpo h LEU 33 Cb -0.02 -0.05 -0.06 0.00 1.08 0.00 0.00 40.66 41.60 2jpo h LEU 33 CO -0.05 0.22 0.47 1.88 -1.08 0.00 0.00 178.44 179.89 2jpo h TYR 34 N 0.19 0.87 -0.34 1.13 0.05 -1.19 -2.09 116.97 115.59 2jpo h TYR 34 Ca 0.06 0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.93 2jpo h TYR 34 Cb 0.05 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.50 2jpo h TYR 34 CO -0.04 0.44 0.23 -0.91 -1.05 0.00 0.00 178.16 176.83 2jpo h ASN 35 N 0.86 0.17 -0.23 3.88 2.35 -0.91 -3.13 115.58 118.57 2jpo h ASN 35 Ca 0.34 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 56.13 2jpo h ASN 35 Cb 0.17 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 2jpo h ASN 35 CO -0.17 0.11 0.00 0.15 -1.65 0.00 0.00 177.43 175.87 2jpo h PHE 36 N 0.19 -0.00 -0.48 1.19 3.57 -1.03 -2.05 116.94 118.32 2jpo h PHE 36 Ca 0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2jpo h PHE 36 Cb 0.36 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.14 2jpo h PHE 36 CO -0.00 -0.03 0.00 0.91 -2.23 0.00 0.00 178.31 176.96 2jpo n TRP 37 N -5.14 0.64 0.13 0.41 7.02 -1.20 -4.09 117.44 115.21 2jpo n TRP 37 Ca -0.02 -0.32 -0.23 0.00 -1.02 0.00 0.00 57.50 55.92 2jpo n TRP 37 Cb 0.12 0.00 -0.15 0.00 -2.42 0.00 0.00 31.31 28.86 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 3.57 0.47 0.00 -0.99 3.64 -1.31 -3.47 116.57 118.47 2jpo h LYS 38 Ca 0.00 -0.80 0.00 0.00 -1.27 0.00 0.00 60.65 58.58 2jpo h LYS 38 Cb 0.80 0.30 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2jpo h LYS 38 CO 0.00 1.38 0.00 -3.47 -2.27 0.00 0.00 179.45 175.09 2jpo n ASP 39 N -3.66 0.00 -3.28 4.20 2.03 -1.26 -5.10 116.55 109.48 2jpo n ASP 39 Ca -0.17 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.07 2jpo n ASP 39 Cb 1.09 0.23 -0.04 0.00 -0.72 0.00 0.00 41.12 41.67 2jpo n ASP 39 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jpo s ASP 40 N 0.00 -0.19 0.17 1.67 2.15 -1.26 -5.10 116.67 114.11 2jpo s ASP 40 Ca 0.00 -0.96 0.01 0.00 0.43 0.00 0.00 52.55 52.03 2jpo s ASP 40 Cb 0.00 1.29 -0.04 0.00 -0.30 0.00 0.00 42.92 43.86 2jpo s ASP 40 CO 0.00 -0.24 0.03 -0.47 -0.17 0.00 0.00 175.17 174.32 2jpo s TYR 41 N 1.86 1.13 -0.07 -5.34 5.04 -1.26 -5.09 117.35 113.63 2jpo s TYR 41 Ca 0.15 -1.11 -0.03 0.00 -2.44 0.00 0.00 57.07 53.64 2jpo s TYR 41 Cb -0.10 -0.64 0.04 0.00 0.35 0.00 0.00 41.96 41.61 2jpo s TYR 41 CO -0.11 -0.33 0.16 0.08 -1.34 0.00 0.00 175.55 174.02 2jpo s VAL 42 N -3.80 -0.07 0.35 3.14 1.01 -1.26 -4.92 120.40 114.85 2jpo s VAL 42 Ca 0.25 0.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.34 2jpo s VAL 42 Cb 0.07 -0.27 -0.06 0.00 0.00 0.00 0.00 36.38 36.12 2jpo s VAL 42 CO 0.04 0.08 0.68 0.00 0.00 0.00 0.00 175.10 175.90 2jpo s MET 43 N 1.31 3.74 0.00 2.72 0.23 -1.26 -5.03 119.30 121.02 2jpo s MET 43 Ca -0.08 0.31 0.00 0.00 -1.03 0.00 0.00 55.69 54.89 2jpo s MET 43 Cb -0.11 -2.49 0.00 0.00 -1.53 0.00 0.00 34.83 30.69 2jpo s MET 43 CO -0.06 0.08 0.49 0.25 -2.03 0.00 0.00 175.02 173.75 2jpo n THR 44 N -1.05 0.17 -1.27 3.16 -2.24 -1.26 -5.04 114.28 106.76 2jpo n THR 44 Ca 0.01 -0.47 -0.19 0.00 -2.27 0.00 0.00 64.05 61.14 2jpo n THR 44 Cb 0.54 1.10 0.14 0.00 -2.10 0.00 0.00 70.33 70.01 2jpo n THR 44 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jpo n ASP 45 N -0.09 -0.66 0.00 3.42 -0.08 -1.26 -5.05 116.55 112.83 2jpo n ASP 45 Ca 0.00 -1.14 0.00 0.00 -1.51 0.00 0.00 54.79 52.14 2jpo n ASP 45 Cb 0.12 -0.63 0.00 0.00 2.34 0.00 0.00 41.12 42.94 2jpo n ASP 45 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 2jpo n ARG 46 N -3.11 1.32 0.21 -0.67 0.00 -1.26 -4.75 116.66 108.40 2jpo n ARG 46 Ca 0.10 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 58.02 2jpo n ARG 46 Cb 0.36 -0.93 0.44 0.00 -0.00 0.00 0.00 32.46 32.33 2jpo n ARG 46 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2jpo h LEU 47 N 0.00 0.00 -0.90 2.89 3.38 -1.96 -3.06 115.31 115.66 2jpo h LEU 47 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2jpo h LEU 47 Cb 0.16 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2jpo h LEU 47 CO 0.00 0.30 0.52 0.00 0.09 0.00 0.00 178.44 179.35 2jpo h ALA 48 N 1.70 1.15 0.00 1.53 0.00 -1.90 -0.69 119.26 121.05 2jpo h ALA 48 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2jpo h ALA 48 Cb 0.72 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2jpo h ALA 48 CO 0.04 0.63 -0.12 0.78 0.00 0.00 0.00 179.25 180.59 2jpo h GLY 49 N 1.25 0.00 1.11 0.00 0.00 -1.76 -1.76 103.07 101.90 2jpo h GLY 49 Ca 0.32 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.47 2jpo h GLY 49 CO -0.06 0.00 -0.56 0.00 0.00 0.00 0.00 176.54 175.92 2jpo h ALA 51 N 0.63 0.64 0.55 0.00 0.00 -0.73 -2.17 119.26 118.19 2jpo h ALA 51 Ca -0.00 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2jpo h ALA 51 Cb 1.18 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.00 2jpo h ALA 51 CO 0.12 -0.20 -0.27 0.82 0.00 0.00 0.00 179.25 179.73 2jpo h ILE 52 N 0.38 0.45 0.00 0.00 2.04 -1.15 -2.05 117.51 117.18 2jpo h ILE 52 Ca 0.25 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 66.06 2jpo h ILE 52 Cb 0.26 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2jpo h ILE 52 CO -0.24 0.01 -0.06 -0.55 0.00 0.00 0.00 178.15 177.30 2jpo h ASN 53 N -0.76 0.00 -0.28 1.72 7.08 -1.15 -0.32 115.58 121.86 2jpo h ASN 53 Ca -0.08 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.09 2jpo h ASN 53 Cb 0.58 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.81 2jpo h ASN 53 CO 0.13 0.06 -0.02 0.00 -2.08 0.00 0.00 177.43 175.51 2jpo h LEU 55 N 0.29 0.49 -1.11 0.00 -0.00 -0.35 -2.62 115.31 112.01 2jpo h LEU 55 Ca 0.08 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 2jpo h LEU 55 Cb 0.47 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 2jpo h LEU 55 CO 0.02 0.30 0.00 0.00 -0.00 0.00 0.00 178.44 178.75 2jpo h ALA 56 N 1.66 1.00 0.00 1.53 0.00 -1.08 -0.47 119.26 121.90 2jpo h ALA 56 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2jpo h ALA 56 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2jpo h ALA 56 CO -0.10 0.00 -1.34 -2.37 0.00 0.00 0.00 179.25 175.44 2jpo n THR 57 N -2.67 0.00 -0.82 0.00 5.66 -1.13 -4.44 114.28 110.88 2jpo n THR 57 Ca 0.01 -0.28 -0.15 0.00 -3.05 0.00 0.00 64.05 60.59 2jpo n THR 57 Cb 0.26 0.46 0.04 0.00 -1.55 0.00 0.00 70.33 69.53 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 -1.79 1.72 0.02 1.09 5.02 -0.20 -4.31 118.16 119.72 2jpo n LYS 58 Ca -0.01 -1.41 0.04 0.00 -2.02 0.00 0.00 58.31 54.92 2jpo n LYS 58 Cb 0.34 -1.55 0.44 0.00 -0.02 0.00 0.00 35.03 34.24 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 2.51 0.43 0.00 -0.35 3.38 -1.75 0.22 115.31 119.75 2jpo h LEU 59 Ca 0.26 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2jpo h LEU 59 Cb 0.95 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2jpo h LEU 59 CO 0.68 0.31 0.00 -0.67 0.09 0.00 0.00 178.44 178.85 2jpo n ASP 60 N -4.48 0.00 -0.08 -0.43 2.03 -1.26 -0.82 116.55 111.51 2jpo n ASP 60 Ca 0.03 -0.02 -0.17 0.00 0.52 0.00 0.00 54.79 55.14 2jpo n ASP 60 Cb 0.06 -0.31 -0.06 0.00 -0.72 0.00 0.00 41.12 40.09 2jpo n ASP 60 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2jpo n VAL 61 N -1.31 0.93 -0.18 5.18 0.31 -0.63 -3.79 118.33 118.84 2jpo n VAL 61 Ca 0.12 -0.25 -0.01 0.00 -0.01 0.00 0.00 64.34 64.19 2jpo n VAL 61 Cb 0.23 -1.66 0.21 0.00 -0.91 0.00 0.00 33.84 31.72 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 -0.54 1.21 -2.38 2.52 3.04 -0.60 -3.34 116.25 116.15 2jpo h VAL 62 Ca -0.42 -0.58 -0.59 0.00 -1.01 0.00 0.00 66.70 64.10 2jpo h VAL 62 Cb 1.40 0.36 -0.39 0.00 -2.01 0.00 0.00 31.29 30.65 2jpo h VAL 62 CO -0.24 0.25 -0.95 -0.67 -1.01 0.00 0.00 177.57 174.95 2jpo n ASP 63 N -4.35 0.06 0.00 3.17 2.03 0.00 -3.54 116.55 113.92 2jpo n ASP 63 Ca 0.06 -2.53 0.12 0.00 0.52 0.00 0.00 54.79 52.97 2jpo n ASP 63 Cb 0.13 -0.59 0.65 0.00 -0.72 0.00 0.00 41.12 40.59 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 2.50 0.41 0.25 -0.67 -0.04 -1.25 -1.38 135.00 134.83 2jpo n PRO 64 Ca 0.28 0.04 0.10 0.00 -0.04 0.00 0.00 63.50 63.88 2jpo n PRO 64 Cb 0.47 -1.50 0.66 0.00 -0.04 0.00 0.00 33.50 33.09 2jpo n PRO 64 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2jpo h ASP 65 N 0.00 0.00 0.00 3.54 3.58 -1.91 -3.47 116.42 118.16 2jpo h ASP 65 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jpo h ASP 65 Cb 0.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2jpo h ASP 65 CO 0.00 0.13 0.00 0.61 -2.88 0.00 0.00 179.24 177.10 2jpo n GLY 66 N -0.92 0.91 0.21 -0.78 0.00 -0.48 -4.98 105.19 99.16 2jpo n GLY 66 Ca -0.02 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 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 0.90 -3.08 1.61 2.35 -1.91 -3.44 115.58 112.01 2jpo h ASN 67 Ca 0.00 -0.64 -0.54 0.00 -0.55 0.00 0.00 56.30 54.57 2jpo h ASN 67 Cb 0.00 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.11 2jpo h ASN 67 CO 0.00 1.40 0.67 -0.22 -1.65 0.00 0.00 177.43 177.63 2jpo s LEU 68 N -8.42 4.34 0.27 1.61 2.96 -1.26 -4.12 118.68 114.05 2jpo s LEU 68 Ca -0.11 2.06 0.02 0.00 -0.22 0.00 0.00 54.13 55.88 2jpo s LEU 68 Cb 0.08 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.15 2jpo s LEU 68 CO 0.90 -0.58 0.14 -1.00 -1.32 0.00 0.00 176.35 174.49 2jpo s HIS 69 N 1.55 1.48 0.21 5.38 3.76 -0.19 -4.80 115.29 122.68 2jpo s HIS 69 Ca 0.60 -1.33 -0.31 0.00 -0.15 0.00 0.00 55.06 53.88 2jpo s HIS 69 Cb -0.30 -0.79 -0.10 0.00 1.11 0.00 0.00 32.58 32.49 2jpo s HIS 69 CO 0.28 -0.51 1.55 -1.01 -0.85 0.00 0.00 174.74 174.20 2jpo s HIS 70 N -3.78 3.00 -1.85 1.40 0.09 -1.26 -1.26 115.29 111.62 2jpo s HIS 70 Ca 0.37 0.72 0.00 0.00 -0.00 0.00 0.00 55.06 56.15 2jpo s HIS 70 Cb 0.06 -3.94 0.00 0.00 -0.00 0.00 0.00 32.58 28.70 2jpo s HIS 70 CO 0.15 -3.34 0.00 0.41 -0.00 0.00 0.00 174.74 171.97 2jpo n GLY 71 N 3.17 1.56 2.72 -2.22 0.00 0.77 -4.94 105.19 106.25 2jpo n GLY 71 Ca 0.11 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 2jpo n GLY 71 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jpo s ASN 72 N -2.76 -0.22 -0.23 1.61 2.47 -0.39 -4.87 114.94 110.55 2jpo s ASN 72 Ca 0.00 -1.94 0.10 0.00 0.42 0.00 0.00 52.86 51.45 2jpo s ASN 72 Cb 0.00 1.05 0.67 0.00 -1.45 0.00 0.00 41.25 41.52 2jpo s ASN 72 CO 0.00 -0.14 1.59 0.00 -3.72 0.00 0.00 177.10 174.83 2jpo n ALA 73 N 3.34 3.92 0.21 1.71 0.00 -1.26 -1.02 120.51 127.41 2jpo n ALA 73 Ca 0.19 -1.75 -0.08 0.00 0.00 0.00 0.00 53.44 51.80 2jpo n ALA 73 Cb 0.52 -1.15 -0.04 0.00 0.00 0.00 0.00 19.45 18.78 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 2.95 -0.53 -0.84 0.00 1.63 -1.89 0.16 116.57 118.05 2jpo h LYS 74 Ca 0.09 0.04 0.07 0.00 -0.85 0.00 0.00 60.65 59.99 2jpo h LYS 74 Cb 1.89 0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 33.59 2jpo h LYS 74 CO 0.50 -0.36 0.55 -0.44 -3.45 0.00 0.00 179.45 176.25 2jpo h ASP 75 N -0.69 0.81 0.47 4.20 3.32 -1.86 -0.32 116.42 122.36 2jpo h ASP 75 Ca -0.06 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 2jpo h ASP 75 Cb 0.42 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 2jpo h ASP 75 CO 0.09 0.52 -0.29 0.15 -1.72 0.00 0.00 179.24 178.00 2jpo h PHE 76 N 0.92 -0.75 -0.75 4.55 3.57 -1.70 -0.71 116.94 122.08 2jpo h PHE 76 Ca 0.36 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.88 2jpo h PHE 76 Cb 0.23 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 2jpo h PHE 76 CO -0.00 -0.44 0.48 0.00 -2.23 0.00 0.00 178.31 176.12 2jpo h ALA 77 N -0.23 0.97 -0.30 2.41 0.00 -0.24 -1.65 119.26 120.22 2jpo h ALA 77 Ca -0.05 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2jpo h ALA 77 Cb 0.59 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2jpo h ALA 77 CO 0.06 0.29 0.12 0.52 0.00 0.00 0.00 179.25 180.24 2jpo h MET 78 N 0.94 0.26 0.00 0.00 2.86 -0.70 0.17 114.93 118.46 2jpo h MET 78 Ca 0.29 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 2jpo h MET 78 Cb -0.02 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.58 2jpo h MET 78 CO -0.10 0.17 0.00 1.63 1.06 0.00 0.00 176.91 179.67 2jpo n LYS 79 N -5.00 0.17 -0.14 1.72 4.76 -0.31 -3.78 118.16 115.59 2jpo n LYS 79 Ca -0.00 0.40 -0.28 0.00 -2.87 0.00 0.00 58.31 55.56 2jpo n LYS 79 Cb 0.09 -1.82 -0.10 0.00 -1.84 0.00 0.00 35.03 31.36 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 -2.14 0.00 0.00 2.13 8.25 -0.44 -5.00 115.22 118.02 2jpo n HIS 80 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2jpo n HIS 80 Cb 0.23 -0.98 0.00 0.00 1.12 0.00 0.00 29.99 30.35 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 1.43 -1.56 3.38 -1.41 0.00 0.37 -5.08 105.19 102.33 2jpo n GLY 81 Ca -0.53 0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 0.82 0.23 4.61 0.00 -0.01 -4.90 121.76 122.50 2jpo s ALA 82 Ca 0.00 -1.50 0.03 0.00 0.00 0.00 0.00 51.96 50.48 2jpo s ALA 82 Cb 0.00 1.26 -0.01 0.00 0.00 0.00 0.00 23.12 24.37 2jpo s ALA 82 CO 0.00 -0.72 0.10 -0.25 0.00 0.00 0.00 175.76 174.89 2jpo n ASP 83 N -0.77 0.85 -0.34 0.00 8.00 -1.26 -4.08 116.55 118.95 2jpo n ASP 83 Ca 0.02 -2.25 0.19 0.00 0.71 0.00 0.00 54.79 53.45 2jpo n ASP 83 Cb 0.63 0.66 0.42 0.00 -0.02 0.00 0.00 41.12 42.81 2jpo n ASP 83 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2jpo h GLU 84 N 0.00 0.53 0.20 -1.24 5.08 -1.98 0.14 114.58 117.31 2jpo h GLU 84 Ca -0.17 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2jpo h GLU 84 Cb 0.70 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2jpo h GLU 84 CO 0.27 0.35 -0.10 1.15 -1.00 0.00 0.00 179.01 179.69 2jpo h THR 85 N 0.54 0.00 -0.28 1.13 2.02 -1.98 -0.68 112.91 113.67 2jpo h THR 85 Ca 0.61 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.80 2jpo h THR 85 Cb 1.26 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 2jpo h THR 85 CO -0.38 0.00 0.09 0.24 0.37 0.00 0.00 175.52 175.84 2jpo h MET 86 N -0.29 0.21 -0.75 6.66 2.86 -1.83 0.12 114.93 121.92 2jpo h MET 86 Ca -0.03 -0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.67 2jpo h MET 86 Cb 0.21 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.76 2jpo h MET 86 CO 0.05 0.14 0.43 0.00 1.06 0.00 0.00 176.91 178.58 2jpo h ALA 87 N 1.17 1.02 0.00 6.32 0.00 -0.82 -0.71 119.26 126.25 2jpo h ALA 87 Ca 0.12 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 2jpo h ALA 87 Cb 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2jpo h ALA 87 CO -0.13 0.10 -0.61 0.37 0.00 0.00 0.00 179.25 178.98 2jpo h GLN 88 N 0.76 0.00 0.51 0.00 5.75 -0.41 -2.32 115.11 119.40 2jpo h GLN 88 Ca 0.34 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.82 2jpo h GLN 88 Cb 0.23 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.79 2jpo h GLN 88 CO -0.20 0.61 -0.24 1.96 -2.65 0.00 0.00 178.83 178.31 2jpo h GLN 89 N 0.00 -0.66 -0.87 1.69 4.20 0.21 -1.99 115.11 117.69 2jpo h GLN 89 Ca -0.01 0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2jpo h GLN 89 Cb 1.25 0.15 -0.04 0.00 0.30 0.00 0.00 27.48 29.13 2jpo h GLN 89 CO 0.08 -0.42 0.53 -0.07 -0.67 0.00 0.00 178.83 178.28 2jpo h LEU 90 N -0.72 1.04 -1.00 1.46 3.38 -1.14 -1.07 115.31 117.27 2jpo h LEU 90 Ca -0.07 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 2jpo h LEU 90 Cb 0.54 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2jpo h LEU 90 CO 0.11 0.79 0.10 1.62 0.09 0.00 0.00 178.44 181.16 2jpo h VAL 91 N 1.20 1.23 -0.30 1.22 3.04 -1.40 -2.19 116.25 119.05 2jpo h VAL 91 Ca 0.31 -0.87 -0.04 0.00 -1.01 0.00 0.00 66.70 65.09 2jpo h VAL 91 Cb -0.06 0.72 -0.02 0.00 -2.01 0.00 0.00 31.29 29.93 2jpo h VAL 91 CO -0.06 0.32 -0.00 -0.78 -1.01 0.00 0.00 177.57 176.03 2jpo h ASP 92 N 0.79 0.42 0.10 3.17 3.58 -0.43 0.25 116.42 124.30 2jpo h ASP 92 Ca 0.17 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 2jpo h ASP 92 Cb 0.34 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.28 2jpo h ASP 92 CO 0.00 0.49 -0.05 0.40 -2.88 0.00 0.00 179.24 177.21 2jpo h ILE 93 N 0.44 0.92 -0.17 2.25 2.04 -0.72 -0.09 117.51 122.17 2jpo h ILE 93 Ca 0.10 -0.07 -0.20 0.00 1.00 0.00 0.00 64.86 65.69 2jpo h ILE 93 Cb 0.30 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2jpo h ILE 93 CO 0.01 0.02 -0.68 -0.29 0.00 0.00 0.00 178.15 177.20 2jpo h ILE 94 N -0.16 1.30 0.00 -0.67 6.09 -1.18 0.37 117.51 123.25 2jpo h ILE 94 Ca -0.01 -1.92 0.00 0.00 -1.37 0.00 0.00 64.86 61.55 2jpo h ILE 94 Cb 0.13 1.89 0.00 0.00 0.47 0.00 0.00 36.82 39.31 2jpo h ILE 94 CO 0.02 0.61 0.00 0.45 -3.07 0.00 0.00 178.15 176.16 2jpo h HIS 95 N 0.50 0.00 0.00 2.19 3.86 -0.86 0.15 115.15 120.98 2jpo h HIS 95 Ca -0.02 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 2jpo h HIS 95 Cb 1.28 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.75 2jpo h HIS 95 CO 0.07 0.00 -0.36 0.78 0.86 0.00 0.00 177.93 179.27 2jpo h GLY 96 N 0.03 0.00 0.72 2.45 0.00 0.12 -3.35 103.07 103.03 2jpo h GLY 96 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 2jpo h GLY 96 CO 0.00 0.00 0.59 0.00 0.00 0.00 0.00 176.54 177.13 2jpo n GLU 98 N -4.53 0.02 -0.05 0.00 -0.58 0.50 -1.66 120.64 114.35 2jpo n GLU 98 Ca 0.15 0.42 -0.07 0.00 -0.42 0.00 0.00 57.16 57.25 2jpo n GLU 98 Cb 0.28 -1.56 -0.05 0.00 -0.57 0.00 0.00 31.44 29.53 2jpo n GLU 98 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2jpo n LYS 99 N -1.60 0.73 0.28 3.49 4.01 -0.20 -4.61 118.16 120.26 2jpo n LYS 99 Ca 0.01 0.05 0.17 0.00 -0.51 0.00 0.00 58.31 58.04 2jpo n LYS 99 Cb 0.07 -1.22 0.76 0.00 -0.51 0.00 0.00 35.03 34.13 2jpo n LYS 99 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 2jpo h SER 100 N 0.00 0.00 -3.15 4.39 0.02 -0.80 -3.46 113.55 110.54 2jpo h SER 100 Ca -0.25 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.14 2jpo h SER 100 Cb 1.42 0.00 0.18 0.00 0.14 0.00 0.00 62.40 64.14 2jpo h SER 100 CO -0.03 0.02 -0.38 0.00 -1.14 0.00 0.00 176.83 175.31 2jpo n ALA 101 N -2.11 -1.34 -1.60 3.77 0.00 -0.66 -4.96 120.51 113.60 2jpo n ALA 101 Ca -0.00 -0.17 -0.33 0.00 0.00 0.00 0.00 53.44 52.94 2jpo n ALA 101 Cb 0.27 -1.86 0.03 0.00 0.00 0.00 0.00 19.45 17.89 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 -2.56 3.10 -0.67 0.00 0.04 -1.26 -4.92 135.00 128.72 2jpo s PRO 102 Ca 0.67 1.27 -0.26 0.00 0.04 0.00 0.00 61.00 62.72 2jpo s PRO 102 Cb -0.38 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 2jpo s PRO 102 CO 0.56 -1.00 1.97 -1.25 0.04 0.00 0.00 177.00 177.33 2jpo s PRO 103 N -4.11 2.50 0.31 0.56 0.04 -1.26 -4.31 135.00 128.72 2jpo s PRO 103 Ca 0.65 0.49 0.00 0.00 0.04 0.00 0.00 61.00 62.18 2jpo s PRO 103 Cb -0.18 -4.59 0.00 0.00 0.04 0.00 0.00 34.50 29.78 2jpo s PRO 103 CO 0.39 -3.03 0.00 -1.71 0.04 0.00 0.00 177.00 172.69 2jpo n ASN 104 N 13.71 -1.50 -1.40 6.66 5.15 -1.26 -5.16 115.26 131.46 2jpo n ASN 104 Ca 0.28 0.57 0.00 0.00 -0.60 0.00 0.00 54.58 54.83 2jpo n ASN 104 Cb 0.51 1.55 0.00 0.00 -0.53 0.00 0.00 39.78 41.31 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 -3.34 -5.27 -3.66 1.20 8.00 -1.26 -5.08 116.55 107.14 2jpo n ASP 105 Ca 0.00 0.99 0.01 0.00 0.71 0.00 0.00 54.79 56.50 2jpo n ASP 105 Cb 0.00 -3.74 0.00 0.00 -0.02 0.00 0.00 41.12 37.37 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 -4.21 -0.04 0.10 -2.24 -1.08 -1.26 -4.77 116.67 103.17 2jpo s ASP 106 Ca 0.00 -0.26 0.24 0.00 -0.52 0.00 0.00 52.55 52.00 2jpo s ASP 106 Cb 0.00 0.24 0.23 0.00 -1.46 0.00 0.00 42.92 41.93 2jpo s ASP 106 CO 0.00 -0.45 1.21 0.29 0.52 0.00 0.00 175.17 176.73 2jpo n LYS 107 N -0.65 0.30 0.02 4.34 4.76 -1.26 -4.46 118.16 121.22 2jpo n LYS 107 Ca -0.04 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2jpo n LYS 107 Cb 0.61 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 2jpo n LYS 107 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jpo h MET 109 N 0.00 0.14 -0.09 0.00 2.86 -1.84 -0.28 114.93 115.72 2jpo h MET 109 Ca 0.00 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.67 2jpo h MET 109 Cb 0.51 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.09 2jpo h MET 109 CO 0.00 0.17 -0.24 -0.22 1.06 0.00 0.00 176.91 177.68 2jpo h LYS 110 N 0.08 -0.31 -0.71 1.72 1.63 -1.86 -2.49 116.57 114.63 2jpo h LYS 110 Ca 0.04 0.02 0.09 0.00 -0.85 0.00 0.00 60.65 59.95 2jpo h LYS 110 Cb 0.06 0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.72 2jpo h LYS 110 CO -0.01 -0.21 0.47 1.15 -3.45 0.00 0.00 179.45 177.40 2jpo h THR 111 N -0.32 0.94 -0.25 1.00 2.02 -1.68 -1.55 112.91 113.07 2jpo h THR 111 Ca 0.09 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 2jpo h THR 111 Cb 0.45 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 2jpo h THR 111 CO -0.28 0.11 0.08 0.40 0.37 0.00 0.00 175.52 176.20 2jpo h ILE 112 N 0.61 1.19 0.24 3.11 2.04 -0.61 0.40 117.51 124.49 2jpo h ILE 112 Ca 0.32 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.57 2jpo h ILE 112 Cb 0.46 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 2jpo h ILE 112 CO -0.11 0.20 -0.48 -0.78 0.00 0.00 0.00 178.15 176.98 2jpo h ASP 113 N 0.24 -1.40 -0.57 1.72 3.58 -1.07 -0.24 116.42 118.68 2jpo h ASP 113 Ca 0.08 0.14 0.05 0.00 0.42 0.00 0.00 57.03 57.72 2jpo h ASP 113 Cb 0.24 0.50 -0.05 0.00 1.72 0.00 0.00 39.33 41.74 2jpo h ASP 113 CO -0.00 -0.57 0.29 0.58 -2.88 0.00 0.00 179.24 176.66 2jpo h VAL 114 N -0.80 0.95 -0.48 2.25 2.07 -1.22 0.32 116.25 119.34 2jpo h VAL 114 Ca -0.01 -0.19 -0.11 0.00 0.82 0.00 0.00 66.70 67.21 2jpo h VAL 114 Cb 0.77 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2jpo h VAL 114 CO -0.20 0.10 -0.12 0.00 0.02 0.00 0.00 177.57 177.37 2jpo h ALA 115 N 1.31 0.67 -0.01 1.67 0.00 -0.76 -0.17 119.26 121.97 2jpo h ALA 115 Ca 0.26 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 2jpo h ALA 115 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2jpo h ALA 115 CO -0.18 0.58 -0.82 0.00 0.00 0.00 0.00 179.25 178.83 2jpo h MET 116 N 0.79 0.19 -0.29 0.00 -0.00 -0.27 -3.04 114.93 112.32 2jpo h MET 116 Ca 0.12 -0.19 0.02 0.00 -0.00 0.00 0.00 59.70 59.65 2jpo h MET 116 Cb 0.68 0.05 -0.02 0.00 -0.00 0.00 0.00 31.60 32.31 2jpo h MET 116 CO 0.05 0.91 0.15 0.00 -0.00 0.00 0.00 176.91 178.02 2jpo h PHE 118 N 0.32 0.60 -0.68 0.00 3.04 -0.91 0.15 116.94 119.46 2jpo h PHE 118 Ca 0.12 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.09 2jpo h PHE 118 Cb 0.02 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.36 2jpo h PHE 118 CO -0.09 0.07 0.39 -0.22 -2.02 0.00 0.00 178.31 176.43 2jpo h LYS 119 N 0.48 0.94 -0.83 1.11 3.64 -1.47 -2.27 116.57 118.16 2jpo h LYS 119 Ca 0.46 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2jpo h LYS 119 Cb 0.73 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 2jpo h LYS 119 CO -0.42 0.69 0.51 0.87 -2.27 0.00 0.00 179.45 178.82 2jpo h LYS 120 N 0.93 1.12 0.00 1.90 6.56 -0.68 -2.78 116.57 123.62 2jpo h LYS 120 Ca 0.24 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 59.73 2jpo h LYS 120 Cb 0.01 -0.24 0.00 0.00 -0.57 0.00 0.00 32.23 31.43 2jpo h LYS 120 CO -0.04 0.78 0.00 0.93 -2.06 0.00 0.00 179.45 179.06 2jpo h GLU 121 N 1.14 0.00 0.00 3.15 4.39 -0.52 -2.81 114.58 119.92 2jpo h GLU 121 Ca 0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.00 2jpo h GLU 121 Cb -0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2jpo h GLU 121 CO -0.06 0.00 0.00 0.82 -1.16 0.00 0.00 179.01 178.61 2jpo h ILE 122 N 0.00 0.00 0.00 3.13 1.08 -1.16 -1.31 117.51 119.25 2jpo h ILE 122 Ca 0.00 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 2jpo h ILE 122 Cb 0.37 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 2jpo h ILE 122 CO 0.00 0.00 0.01 1.41 -0.69 0.00 0.00 178.15 178.88 2jpo n HIS 123 N -2.45 0.00 0.99 1.37 8.25 -1.06 -1.78 115.22 120.53 2jpo n HIS 123 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.57 2jpo n HIS 123 Cb 0.07 -0.43 0.30 0.00 1.12 0.00 0.00 29.99 31.06 2jpo n HIS 123 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2jpo n LYS 124 N -1.42 0.01 -4.41 -0.41 5.02 -0.49 -4.88 118.16 111.57 2jpo n LYS 124 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 2jpo n LYS 124 Cb 0.01 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.37 2jpo n LYS 124 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jpo s LEU 125 N -3.03 2.14 -0.40 -0.35 1.43 -0.73 -5.04 118.68 112.69 2jpo s LEU 125 Ca 0.11 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 52.86 2jpo s LEU 125 Cb 0.18 -0.62 0.43 0.00 0.03 0.00 0.00 46.19 46.21 2jpo s LEU 125 CO 0.68 0.06 1.13 0.59 0.23 0.00 0.00 176.35 179.04 2jpo n ASN 126 N 2.10 4.72 -2.04 2.29 5.03 -1.26 -4.93 115.26 121.17 2jpo n ASN 126 Ca -0.17 -3.71 -0.08 0.00 0.87 0.00 0.00 54.58 51.49 2jpo n ASN 126 Cb 0.55 -0.43 -0.02 0.00 -1.02 0.00 0.00 39.78 38.86 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 -0.53 -0.79 -3.98 3.10 4.27 -1.26 -5.17 117.44 113.07 2jpo n TRP 127 Ca 0.40 -1.24 -0.30 0.00 -3.89 0.00 0.00 57.50 52.46 2jpo n TRP 127 Cb 0.74 0.24 -0.16 0.00 -1.36 0.00 0.00 31.31 30.77 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 -2.64 1.60 0.16 -1.67 1.01 -1.26 -5.09 120.40 112.51 2jpo s VAL 128 Ca 0.16 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 2jpo s VAL 128 Cb -0.00 -1.69 -0.08 0.00 0.00 0.00 0.00 36.38 34.61 2jpo s VAL 128 CO 0.11 0.15 1.21 -2.16 0.00 0.00 0.00 175.10 174.41 2jpo s PRO 129 N 1.41 4.47 0.89 2.72 0.04 -1.26 -5.00 135.00 138.27 2jpo s PRO 129 Ca -0.01 1.86 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 2jpo s PRO 129 Cb -0.16 -3.26 0.07 0.00 0.04 0.00 0.00 34.50 31.19 2jpo s PRO 129 CO -0.08 -0.14 0.80 0.09 0.04 0.00 0.00 177.00 177.71 2jpo n ASN 130 N 2.85 -0.65 -0.13 6.66 3.02 -1.26 -4.63 115.26 121.12 2jpo n ASN 130 Ca 0.06 0.44 0.12 0.00 -0.03 0.00 0.00 54.58 55.16 2jpo n ASN 130 Cb 0.45 -1.35 0.46 0.00 -0.61 0.00 0.00 39.78 38.73 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 -1.38 0.49 -0.32 3.52 -0.00 -1.94 -0.10 114.93 115.19 2jpo h MET 131 Ca -0.44 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.70 59.21 2jpo h MET 131 Cb 1.29 -0.11 -0.01 0.00 -0.00 0.00 0.00 31.60 32.77 2jpo h MET 131 CO 0.40 0.32 0.13 -0.44 -0.00 0.00 0.00 176.91 177.32 2jpo h ASP 132 N 0.50 0.44 -0.31 -0.10 5.19 -1.96 -2.60 116.42 117.58 2jpo h ASP 132 Ca 0.32 -0.17 -0.03 0.00 -0.62 0.00 0.00 57.03 56.53 2jpo h ASP 132 Cb 0.56 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 2jpo h ASP 132 CO -0.10 0.49 0.06 0.25 -3.12 0.00 0.00 179.24 176.81 2jpo h LEU 133 N 0.37 0.48 -0.08 1.55 5.85 -1.41 0.75 115.31 122.83 2jpo h LEU 133 Ca 0.11 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2jpo h LEU 133 Cb 0.18 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 2jpo h LEU 133 CO -0.01 0.61 0.05 0.58 -0.34 0.00 0.00 178.44 179.34 2jpo h VAL 134 N 0.34 1.03 0.35 1.05 2.07 -1.12 -3.13 116.25 116.85 2jpo h VAL 134 Ca 0.09 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 2jpo h VAL 134 Cb 0.33 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2jpo h VAL 134 CO 0.00 0.03 -0.17 0.40 0.02 0.00 0.00 177.57 177.86 2jpo h ILE 135 N 0.09 0.59 -0.62 4.57 2.04 -1.37 -3.25 117.51 119.56 2jpo h ILE 135 Ca 0.03 -0.59 0.21 0.00 1.00 0.00 0.00 64.86 65.51 2jpo h ILE 135 Cb 0.01 0.86 -0.11 0.00 -0.74 0.00 0.00 36.82 36.83 2jpo h ILE 135 CO -0.01 0.10 0.14 0.61 0.00 0.00 0.00 178.15 178.99 2jpo n GLY 136 N -0.28 -0.70 0.15 5.37 0.00 0.25 -1.07 105.19 108.91 2jpo n GLY 136 Ca -0.10 0.57 -0.15 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.63 1.61 4.39 -1.58 -2.39 114.58 116.43 2jpo h GLU 137 Ca 0.44 -0.31 0.08 0.00 0.34 0.00 0.00 59.36 59.90 2jpo h GLU 137 Cb 1.02 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.65 2jpo h GLU 137 CO -0.54 0.93 0.29 -0.24 -1.16 0.00 0.00 179.01 178.28 2jpo h VAL 138 N 0.04 0.85 0.00 3.13 3.04 -1.20 -1.03 116.25 121.07 2jpo h VAL 138 Ca -0.01 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 2jpo h VAL 138 Cb 0.94 0.29 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 2jpo h VAL 138 CO 0.07 0.09 0.00 -0.07 -1.01 0.00 0.00 177.57 176.66 2jpo h LEU 139 N 0.52 0.00 0.03 3.16 3.38 -1.37 -1.02 115.31 120.01 2jpo h LEU 139 Ca 0.30 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.05 2jpo h LEU 139 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2jpo h LEU 139 CO -0.25 0.00 -1.20 0.00 0.09 0.00 0.00 178.44 177.08 2jpo h ALA 140 N 2.09 0.24 -0.04 1.53 0.00 -0.68 -3.40 119.26 119.00 2jpo h ALA 140 Ca 0.00 -1.13 -0.01 0.00 0.00 0.00 0.00 54.91 53.77 2jpo h ALA 140 Cb 0.22 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2jpo h ALA 140 CO 0.00 0.69 0.00 0.93 0.00 0.00 0.00 179.25 180.88 2jpo h GLU 141 N -0.82 0.06 0.00 0.00 4.39 -1.10 0.22 114.58 117.34 2jpo h GLU 141 Ca -0.31 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2jpo h GLU 141 Cb 1.39 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 2jpo h GLU 141 CO -0.13 0.33 0.00 0.28 -1.16 0.00 0.00 179.01 178.33