#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpo s PRO 2 N 0.00 3.42 0.00 1.43 0.04 -1.26 -4.84 135.00 133.79 2jpo s PRO 2 Ca 0.00 -0.77 0.00 0.00 0.04 0.00 0.00 61.00 60.27 2jpo s PRO 2 Cb 0.00 -4.85 0.00 0.00 0.04 0.00 0.00 34.50 29.69 2jpo s PRO 2 CO 0.00 -2.17 0.00 0.39 0.04 0.00 0.00 177.00 175.26 2jpo n GLU 3 N 9.01 0.00 -2.17 4.56 -0.58 -1.26 -4.78 120.64 125.43 2jpo n GLU 3 Ca 0.20 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.63 2jpo n GLU 3 Cb 0.50 -0.13 0.02 0.00 -0.57 0.00 0.00 31.44 31.27 2jpo n GLU 3 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2jpo n ILE 4 N -1.15 2.86 -0.44 -3.67 -5.35 -1.26 -5.01 119.36 105.33 2jpo n ILE 4 Ca 0.00 -4.51 -0.14 0.00 -0.27 0.00 0.00 62.75 57.83 2jpo n ILE 4 Cb 0.00 -1.24 0.13 0.00 -1.74 0.00 0.00 39.64 36.79 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 -0.56 -2.70 -1.84 6.28 2.81 -1.26 -4.75 117.12 115.11 2jpo n MET 5 Ca 0.46 -0.77 -0.36 0.00 -1.81 0.00 0.00 57.70 55.22 2jpo n MET 5 Cb 0.56 -0.84 -0.05 0.00 -0.71 0.00 0.00 33.22 32.18 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 -3.46 1.93 -1.59 0.03 5.02 -1.26 -4.84 118.16 113.98 2jpo n LYS 6 Ca 0.07 -2.42 -0.38 0.00 -2.02 0.00 0.00 58.31 53.56 2jpo n LYS 6 Cb 0.28 -3.41 -0.02 0.00 -0.02 0.00 0.00 35.03 31.86 2jpo n LYS 6 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2jpo n ASN 7 N 10.62 8.33 -4.29 4.39 0.23 -1.26 -4.56 115.26 128.71 2jpo n ASN 7 Ca 0.48 -2.82 -0.34 0.00 -0.53 0.00 0.00 54.58 51.36 2jpo n ASN 7 Cb 0.44 -1.46 -0.06 0.00 -2.08 0.00 0.00 39.78 36.61 2jpo n ASN 7 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2jpo n LEU 8 N 2.70 -1.34 0.00 -4.53 4.77 -1.26 -4.85 117.00 112.50 2jpo n LEU 8 Ca 0.70 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 2jpo n LEU 8 Cb 0.26 -1.83 0.00 0.00 -2.33 0.00 0.00 43.42 39.53 2jpo n LEU 8 CO 0.75 0.32 0.00 -0.24 -1.33 0.00 0.00 177.39 176.89 2jpo n SER 9 N -2.74 0.00 -0.10 -1.43 2.88 -1.26 -4.71 113.62 106.26 2jpo n SER 9 Ca -0.11 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.31 2jpo n SER 9 Cb 0.58 -0.05 -0.04 0.00 -0.75 0.00 0.00 64.21 63.96 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 0.72 -0.07 -3.46 2.35 -1.89 -0.31 115.58 112.92 2jpo h ASN 10 Ca 0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 2jpo h ASN 10 Cb 0.00 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 2jpo h ASN 10 CO 0.00 1.00 0.03 -0.55 -1.65 0.00 0.00 177.43 176.26 2jpo h ASN 11 N 0.44 0.05 -0.20 5.81 7.08 -1.86 0.24 115.58 127.14 2jpo h ASN 11 Ca 0.06 0.00 0.05 0.00 -3.08 0.00 0.00 56.30 53.34 2jpo h ASN 11 Cb 0.75 -0.01 -0.06 0.00 -2.08 0.00 0.00 38.32 36.93 2jpo h ASN 11 CO 0.06 0.04 -0.19 0.15 -2.08 0.00 0.00 177.43 175.40 2jpo h PHE 12 N 0.07 -0.49 0.00 4.14 3.04 -1.68 -0.67 116.94 121.34 2jpo h PHE 12 Ca 0.03 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.01 2jpo h PHE 12 Cb 0.00 0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.76 2jpo h PHE 12 CO -0.09 -0.27 0.00 0.78 -2.02 0.00 0.00 178.31 176.72 2jpo h GLY 13 N -0.21 0.00 0.25 2.40 0.00 -0.82 -1.53 103.07 103.16 2jpo h GLY 13 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 2jpo h GLY 13 CO -0.32 0.00 -0.03 1.70 0.00 0.00 0.00 176.54 177.89 2jpo h LYS 14 N 0.00 0.02 -0.96 4.80 3.64 0.42 -0.43 116.57 124.06 2jpo h LYS 14 Ca 0.00 -0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.50 2jpo h LYS 14 Cb 0.43 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.16 2jpo h LYS 14 CO 0.00 0.79 0.58 0.00 -2.27 0.00 0.00 179.45 178.55 2jpo h ALA 15 N 0.23 1.49 -0.46 5.00 0.00 -0.87 0.24 119.26 124.89 2jpo h ALA 15 Ca -0.00 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2jpo h ALA 15 Cb 0.80 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2jpo h ALA 15 CO 0.01 0.08 -0.26 1.98 0.00 0.00 0.00 179.25 181.05 2jpo h MET 16 N 0.84 0.99 -0.58 0.00 1.85 -1.23 -1.94 114.93 114.87 2jpo h MET 16 Ca 0.51 -0.45 0.01 0.00 -0.61 0.00 0.00 59.70 59.16 2jpo h MET 16 Cb 0.63 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.61 2jpo h MET 16 CO -0.32 1.12 0.38 0.22 -0.40 0.00 0.00 176.91 177.91 2jpo h ASP 17 N 0.84 0.65 -0.38 1.39 3.58 -0.20 0.48 116.42 122.79 2jpo h ASP 17 Ca 0.10 -0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.60 2jpo h ASP 17 Cb 0.85 -0.16 -0.06 0.00 1.72 0.00 0.00 39.33 41.68 2jpo h ASP 17 CO 0.07 0.47 0.01 1.56 -2.88 0.00 0.00 179.24 178.47 2jpo h GLN 18 N 0.77 0.11 -0.18 0.28 4.20 -0.85 -0.86 115.11 118.58 2jpo h GLN 18 Ca 0.21 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.84 2jpo h GLN 18 Cb -0.08 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 2jpo h GLN 18 CO -0.05 0.07 -0.19 0.00 -0.67 0.00 0.00 178.83 177.99 2jpo n LYS 20 N -4.47 0.02 -0.03 0.00 4.81 0.16 -0.34 118.16 118.31 2jpo n LYS 20 Ca -0.06 0.48 -0.04 0.00 -0.87 0.00 0.00 58.31 57.82 2jpo n LYS 20 Cb 0.40 -1.57 -0.01 0.00 0.02 0.00 0.00 35.03 33.86 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 -1.62 1.17 0.26 3.14 2.03 -0.35 -2.68 116.55 118.51 2jpo n ASP 21 Ca 0.00 0.19 0.11 0.00 0.52 0.00 0.00 54.79 55.61 2jpo n ASP 21 Cb 0.03 -0.53 0.71 0.00 -0.72 0.00 0.00 41.12 40.61 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 -0.48 0.00 0.00 -0.67 5.08 -0.55 -0.03 114.58 117.93 2jpo h GLU 22 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jpo h GLU 22 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2jpo h GLU 22 CO 0.00 0.09 -0.98 1.28 -1.00 0.00 0.00 179.01 178.40 2jpo n LEU 23 N -3.97 0.66 -2.00 1.33 4.77 0.54 -5.01 117.00 113.32 2jpo n LEU 23 Ca -0.02 -0.41 -0.18 0.00 -0.03 0.00 0.00 56.01 55.36 2jpo n LEU 23 Cb 0.18 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 2jpo n LEU 23 CO 0.31 0.16 -0.23 -0.24 -1.33 0.00 0.00 177.39 176.07 2jpo n SER 24 N -1.53 -5.31 -4.70 -1.43 2.88 -0.03 -4.92 113.62 98.59 2jpo n SER 24 Ca 0.02 0.05 -0.43 0.00 -1.33 0.00 0.00 58.87 57.18 2jpo n SER 24 Cb 0.30 -4.38 -0.01 0.00 -0.75 0.00 0.00 64.21 59.37 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 -2.56 3.58 -4.83 2.46 4.77 -1.09 -4.90 117.00 114.43 2jpo n LEU 25 Ca -0.21 1.18 -0.31 0.00 -0.03 0.00 0.00 56.01 56.64 2jpo n LEU 25 Cb 0.66 -1.49 0.05 0.00 -2.33 0.00 0.00 43.42 40.31 2jpo n LEU 25 CO 0.26 -0.37 0.72 -2.16 -1.33 0.00 0.00 177.39 174.50 2jpo s PRO 26 N -1.25 2.84 0.65 3.23 0.04 -1.26 -4.80 135.00 134.45 2jpo s PRO 26 Ca 0.60 0.81 0.43 0.00 0.04 0.00 0.00 61.00 62.88 2jpo s PRO 26 Cb -0.58 -1.99 2.24 0.00 0.04 0.00 0.00 34.50 34.21 2jpo s PRO 26 CO 0.57 -1.13 2.30 0.22 0.04 0.00 0.00 177.00 179.00 2jpo h ASP 27 N -0.73 0.00 0.42 6.66 3.58 -1.98 0.72 116.42 125.08 2jpo h ASP 27 Ca -0.45 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.98 2jpo h ASP 27 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.28 2jpo h ASP 27 CO 0.59 0.00 -0.20 0.77 -2.88 0.00 0.00 179.24 177.52 2jpo h SER 28 N 0.00 -0.47 -0.74 2.28 4.64 -1.98 -2.28 113.55 114.99 2jpo h SER 28 Ca -0.00 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 2jpo h SER 28 Cb 0.10 0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.27 2jpo h SER 28 CO 0.00 -0.16 0.40 0.58 -0.87 0.00 0.00 176.83 176.78 2jpo h VAL 29 N -0.90 1.23 -0.16 0.95 2.07 -1.62 0.23 116.25 118.05 2jpo h VAL 29 Ca -0.06 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 2jpo h VAL 29 Cb 0.43 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2jpo h VAL 29 CO 0.09 0.26 0.02 0.58 0.02 0.00 0.00 177.57 178.54 2jpo h VAL 30 N 1.06 1.23 -0.59 2.57 2.07 -1.03 0.18 116.25 121.74 2jpo h VAL 30 Ca 0.27 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 2jpo h VAL 30 Cb 0.04 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2jpo h VAL 30 CO -0.04 0.23 0.24 0.00 0.02 0.00 0.00 177.57 178.01 2jpo h ALA 31 N 0.80 0.77 -0.94 1.67 0.00 -0.81 -2.15 119.26 118.60 2jpo h ALA 31 Ca 0.05 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2jpo h ALA 31 Cb 0.33 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2jpo h ALA 31 CO 0.00 0.38 0.62 -0.44 0.00 0.00 0.00 179.25 179.81 2jpo h ASP 32 N 0.81 1.01 0.37 0.00 3.32 -0.31 0.89 116.42 122.51 2jpo h ASP 32 Ca 0.20 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.10 2jpo h ASP 32 Cb 0.20 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2jpo h ASP 32 CO -0.02 0.69 -0.58 0.25 -1.72 0.00 0.00 179.24 177.86 2jpo h LEU 33 N 1.17 0.24 -0.21 1.55 6.46 -0.22 0.10 115.31 124.40 2jpo h LEU 33 Ca 0.38 -0.13 -0.09 0.00 -0.12 0.00 0.00 57.88 57.92 2jpo h LEU 33 Cb 0.03 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 39.89 2jpo h LEU 33 CO -0.12 0.76 -0.22 1.88 -0.62 0.00 0.00 178.44 180.12 2jpo h TYR 34 N 0.16 0.63 0.00 1.25 -1.99 -0.83 -3.25 116.97 112.94 2jpo h TYR 34 Ca -0.00 -0.19 0.00 0.00 2.00 0.00 0.00 58.73 60.54 2jpo h TYR 34 Cb 1.07 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.67 2jpo h TYR 34 CO 0.02 0.87 0.00 -0.91 -0.00 0.00 0.00 178.16 178.14 2jpo h ASN 35 N 0.20 0.00 0.36 3.88 2.35 -0.51 -3.08 115.58 118.78 2jpo h ASN 35 Ca 0.03 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2jpo h ASN 35 Cb 0.78 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 2jpo h ASN 35 CO 0.05 0.00 -0.34 0.15 -1.65 0.00 0.00 177.43 175.65 2jpo h PHE 36 N 0.00 -0.93 -3.48 1.19 3.57 -1.01 -3.28 116.94 113.00 2jpo h PHE 36 Ca 0.00 0.01 -0.80 0.00 3.53 0.00 0.00 57.97 60.71 2jpo h PHE 36 Cb 0.22 0.36 -0.28 0.00 2.79 0.00 0.00 35.95 39.04 2jpo h PHE 36 CO 0.00 -0.46 0.46 -2.67 -2.23 0.00 0.00 178.31 173.42 2jpo n TRP 37 N -4.44 4.95 0.00 0.41 2.14 -1.16 -4.10 117.44 115.23 2jpo n TRP 37 Ca -0.08 -3.80 0.00 0.00 2.07 0.00 0.00 57.50 55.69 2jpo n TRP 37 Cb 0.31 -1.63 0.00 0.00 -0.81 0.00 0.00 31.31 29.18 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 2.51 0.00 0.00 -2.67 4.81 -1.23 -4.97 118.16 116.61 2jpo n LYS 38 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 2jpo n LYS 38 Cb 0.38 -0.04 0.00 0.00 0.02 0.00 0.00 35.03 35.40 2jpo n LYS 38 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2jpo n ASP 39 N -2.38 0.00 -3.15 3.14 -0.08 -1.26 -5.11 116.55 107.71 2jpo n ASP 39 Ca 0.00 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.33 2jpo n ASP 39 Cb 0.00 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.46 2jpo n ASP 39 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2jpo s ASP 40 N -0.36 -1.22 0.06 1.67 -1.08 -1.26 -5.14 116.67 109.33 2jpo s ASP 40 Ca 0.00 0.16 0.01 0.00 -0.52 0.00 0.00 52.55 52.20 2jpo s ASP 40 Cb 0.00 1.78 -0.03 0.00 -1.46 0.00 0.00 42.92 43.21 2jpo s ASP 40 CO 0.00 -0.22 -0.06 -0.47 0.52 0.00 0.00 175.17 174.94 2jpo s TYR 41 N 2.87 0.65 -0.14 -5.34 6.14 -1.26 -5.11 117.35 115.16 2jpo s TYR 41 Ca 0.16 -0.74 -0.01 0.00 0.64 0.00 0.00 57.07 57.12 2jpo s TYR 41 Cb -0.07 -0.40 -0.02 0.00 0.42 0.00 0.00 41.96 41.89 2jpo s TYR 41 CO -0.25 -0.18 -0.09 0.14 0.64 0.00 0.00 175.55 175.81 2jpo s VAL 42 N -2.56 3.38 -0.03 3.14 -7.23 -1.26 -4.89 120.40 110.94 2jpo s VAL 42 Ca -0.01 -0.54 -0.30 0.00 -1.81 0.00 0.00 61.98 59.31 2jpo s VAL 42 Cb -0.02 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 2jpo s VAL 42 CO -0.03 0.51 1.38 -0.04 -0.31 0.00 0.00 175.10 176.60 2jpo s MET 43 N 0.35 4.28 -0.21 4.82 -1.94 -1.26 -4.94 119.30 120.41 2jpo s MET 43 Ca -0.08 1.91 0.04 0.00 -1.71 0.00 0.00 55.69 55.85 2jpo s MET 43 Cb -0.15 -3.61 -0.16 0.00 2.01 0.00 0.00 34.83 32.92 2jpo s MET 43 CO 0.05 -0.59 -0.14 0.25 -0.01 0.00 0.00 175.02 174.58 2jpo n THR 44 N 4.77 1.24 -3.11 2.05 -2.24 -1.26 -4.98 114.28 110.74 2jpo n THR 44 Ca 0.13 -0.53 -0.39 0.00 -2.27 0.00 0.00 64.05 60.99 2jpo n THR 44 Cb 0.44 -1.13 -0.06 0.00 -2.10 0.00 0.00 70.33 67.48 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 -5.92 7.12 0.48 3.42 -1.08 -1.26 -4.97 116.67 114.45 2jpo s ASP 45 Ca -0.25 1.33 0.15 0.00 -0.52 0.00 0.00 52.55 53.25 2jpo s ASP 45 Cb 0.07 -2.41 1.12 0.00 -1.46 0.00 0.00 42.92 40.23 2jpo s ASP 45 CO 0.54 0.11 2.07 0.08 0.52 0.00 0.00 175.17 178.49 2jpo h ARG 46 N 5.35 0.03 0.00 4.34 -0.00 -1.94 -2.65 114.38 119.51 2jpo h ARG 46 Ca -0.46 -0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.49 2jpo h ARG 46 Cb 1.20 -0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.17 2jpo h ARG 46 CO 0.69 0.11 -0.15 -0.07 -0.00 0.00 0.00 179.97 180.55 2jpo h LEU 47 N 0.03 0.00 -0.88 0.08 3.38 -1.93 -1.56 115.31 114.42 2jpo h LEU 47 Ca 0.01 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.05 2jpo h LEU 47 Cb 0.16 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 2jpo h LEU 47 CO 0.01 0.15 0.55 0.00 0.09 0.00 0.00 178.44 179.23 2jpo h ALA 48 N 1.85 1.23 0.00 1.53 0.00 -1.80 -0.23 119.26 121.85 2jpo h ALA 48 Ca -0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2jpo h ALA 48 Cb 0.27 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2jpo h ALA 48 CO 0.02 0.26 -0.56 0.78 0.00 0.00 0.00 179.25 179.76 2jpo h GLY 49 N 0.97 0.00 0.97 0.00 0.00 -1.46 -1.62 103.07 101.93 2jpo h GLY 49 Ca 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.68 2jpo h GLY 49 CO -0.19 0.00 0.11 0.00 0.00 0.00 0.00 176.54 176.46 2jpo h ALA 51 N 0.98 0.12 -0.09 0.00 0.00 -0.70 -1.99 119.26 117.59 2jpo h ALA 51 Ca 0.15 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2jpo h ALA 51 Cb 0.33 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 2jpo h ALA 51 CO 0.00 -0.47 -0.28 0.82 0.00 0.00 0.00 179.25 179.32 2jpo h ILE 52 N 0.01 0.36 0.00 0.00 2.04 -1.07 -0.20 117.51 118.64 2jpo h ILE 52 Ca 0.09 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 2jpo h ILE 52 Cb 0.13 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2jpo h ILE 52 CO -0.18 0.00 -0.09 -0.55 0.00 0.00 0.00 178.15 177.33 2jpo h ASN 53 N -0.37 0.00 0.03 1.72 7.08 -0.79 -0.18 115.58 123.07 2jpo h ASN 53 Ca 0.09 0.00 -0.24 0.00 -3.08 0.00 0.00 56.30 53.07 2jpo h ASN 53 Cb 0.50 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.77 2jpo h ASN 53 CO -0.30 0.09 -0.94 0.00 -2.08 0.00 0.00 177.43 174.19 2jpo h LEU 55 N 0.19 0.19 -0.70 0.00 3.38 -0.06 -2.83 115.31 115.49 2jpo h LEU 55 Ca -0.13 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 2jpo h LEU 55 Cb 1.63 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 2jpo h LEU 55 CO 0.18 0.16 -0.46 0.00 0.09 0.00 0.00 178.44 178.41 2jpo h ALA 56 N 1.88 0.90 0.00 1.53 0.00 -1.02 -1.42 119.26 121.12 2jpo h ALA 56 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2jpo h ALA 56 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2jpo h ALA 56 CO -0.01 0.57 0.00 1.79 0.00 0.00 0.00 179.25 181.60 2jpo h THR 57 N 0.00 0.00 -0.67 0.00 1.35 -1.43 -3.37 112.91 108.80 2jpo h THR 57 Ca -0.00 -0.51 -0.39 0.00 -0.55 0.00 0.00 66.41 64.95 2jpo h THR 57 Cb 1.05 1.50 -0.23 0.00 -1.73 0.00 0.00 68.15 68.75 2jpo h THR 57 CO 0.06 0.00 0.18 0.29 -0.25 0.00 0.00 175.52 175.80 2jpo n LYS 58 N -2.33 2.27 0.27 4.72 5.02 -0.54 -4.53 118.16 123.04 2jpo n LYS 58 Ca 0.05 -3.27 0.18 0.00 -2.02 0.00 0.00 58.31 53.25 2jpo n LYS 58 Cb 0.43 -2.04 0.94 0.00 -0.02 0.00 0.00 35.03 34.34 2jpo n LYS 58 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2jpo h LEU 59 N 1.28 0.00 0.00 -0.35 3.38 -1.72 0.14 115.31 118.04 2jpo h LEU 59 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2jpo h LEU 59 Cb 1.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.59 2jpo h LEU 59 CO 0.81 0.00 -0.27 -0.90 0.09 0.00 0.00 178.44 178.17 2jpo n ASP 60 N -3.52 0.44 -0.11 -0.43 5.68 -1.26 -1.65 116.55 115.69 2jpo n ASP 60 Ca -0.01 0.23 -0.23 0.00 -0.50 0.00 0.00 54.79 54.28 2jpo n ASP 60 Cb 0.23 -0.21 -0.08 0.00 -1.14 0.00 0.00 41.12 39.92 2jpo n ASP 60 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 2jpo n VAL 61 N -1.78 1.25 -0.11 2.12 3.14 0.25 -4.01 118.33 119.18 2jpo n VAL 61 Ca 0.05 -0.34 -0.12 0.00 -2.96 0.00 0.00 64.34 60.98 2jpo n VAL 61 Cb 0.38 -1.74 -0.03 0.00 -1.06 0.00 0.00 33.84 31.38 2jpo n VAL 61 CO 0.00 0.00 0.00 1.62 -6.46 0.00 0.00 176.83 171.99 2jpo h VAL 62 N -0.72 1.29 -2.27 1.55 3.04 -1.06 -3.38 116.25 114.70 2jpo h VAL 62 Ca -0.57 -1.31 -0.60 0.00 -1.01 0.00 0.00 66.70 63.21 2jpo h VAL 62 Cb 1.53 1.41 -0.42 0.00 -2.01 0.00 0.00 31.29 31.81 2jpo h VAL 62 CO -0.32 0.43 -0.60 -0.67 -1.01 0.00 0.00 177.57 175.40 2jpo n ASP 63 N -4.31 3.64 0.19 3.17 2.03 -0.66 -4.22 116.55 116.38 2jpo n ASP 63 Ca -0.03 -3.41 0.14 0.00 0.52 0.00 0.00 54.79 52.01 2jpo n ASP 63 Cb 0.41 -0.68 0.64 0.00 -0.72 0.00 0.00 41.12 40.77 2jpo n ASP 63 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2jpo h PRO 64 N 4.28 0.00 0.00 -0.67 0.13 -1.73 -1.98 132.00 132.02 2jpo h PRO 64 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2jpo h PRO 64 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 2jpo h PRO 64 CO 0.82 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.15 2jpo h ASP 65 N 0.00 0.00 -0.10 1.44 5.19 -1.91 -3.46 116.42 117.58 2jpo h ASP 65 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2jpo h ASP 65 Cb 0.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.78 2jpo h ASP 65 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 2jpo n GLY 66 N -0.81 1.27 0.28 2.75 0.00 -0.75 -4.99 105.19 102.94 2jpo n GLY 66 Ca -0.01 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 2jpo n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jpo n ASN 67 N 0.72 2.34 -4.71 1.61 5.03 -1.26 -4.93 115.26 114.06 2jpo n ASN 67 Ca 0.00 0.01 -0.42 0.00 0.87 0.00 0.00 54.58 55.04 2jpo n ASN 67 Cb 0.19 -0.20 -0.03 0.00 -1.02 0.00 0.00 39.78 38.72 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 -5.91 4.36 0.21 3.41 0.20 -1.26 -2.98 118.68 116.69 2jpo s LEU 68 Ca -0.13 2.04 -0.01 0.00 0.69 0.00 0.00 54.13 56.71 2jpo s LEU 68 Cb 0.04 -3.58 -0.04 0.00 -0.43 0.00 0.00 46.19 42.19 2jpo s LEU 68 CO 0.20 -0.52 0.15 -1.00 -0.29 0.00 0.00 176.35 174.89 2jpo s HIS 69 N 1.26 1.15 0.29 5.38 3.76 -0.42 -4.77 115.29 121.94 2jpo s HIS 69 Ca 0.59 -1.36 -0.30 0.00 -0.15 0.00 0.00 55.06 53.84 2jpo s HIS 69 Cb -0.30 -0.53 -0.11 0.00 1.11 0.00 0.00 32.58 32.74 2jpo s HIS 69 CO 0.28 -0.66 1.60 -3.38 -0.85 0.00 0.00 174.74 171.73 2jpo s HIS 70 N -4.13 2.75 -0.88 1.40 -3.43 -1.26 -0.74 115.29 109.00 2jpo s HIS 70 Ca 0.38 0.76 0.00 0.00 -0.80 0.00 0.00 55.06 55.41 2jpo s HIS 70 Cb 0.07 -4.07 0.00 0.00 -1.43 0.00 0.00 32.58 27.14 2jpo s HIS 70 CO 0.12 -3.63 0.00 0.41 -2.00 0.00 0.00 174.74 169.65 2jpo n GLY 71 N 2.22 -0.31 2.55 -1.38 0.00 0.49 -4.90 105.19 103.87 2jpo n GLY 71 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.54 -1.86 0.00 1.61 5.15 0.08 -4.90 115.26 113.81 2jpo n ASN 72 Ca -0.12 -2.75 0.10 0.00 -0.60 0.00 0.00 54.58 51.22 2jpo n ASN 72 Cb 0.56 0.64 0.62 0.00 -0.53 0.00 0.00 39.78 41.07 2jpo n ASN 72 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jpo n ALA 73 N 2.51 2.45 0.15 5.20 0.00 -1.26 -1.30 120.51 128.27 2jpo n ALA 73 Ca 0.21 -0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 2jpo n ALA 73 Cb 0.54 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.45 0.00 0.00 3.64 -1.90 0.19 116.57 118.04 2jpo h LYS 74 Ca 0.00 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2jpo h LYS 74 Cb 0.00 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2jpo h LYS 74 CO 0.00 -0.23 -0.07 -0.44 -2.27 0.00 0.00 179.45 176.45 2jpo h ASP 75 N -1.08 0.00 0.59 4.20 5.19 -1.80 0.23 116.42 123.75 2jpo h ASP 75 Ca -0.05 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.33 2jpo h ASP 75 Cb 0.44 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.95 2jpo h ASP 75 CO 0.08 0.07 -0.29 0.15 -3.12 0.00 0.00 179.24 176.13 2jpo h PHE 76 N 0.00 -0.74 -0.99 4.55 3.57 -1.41 -3.14 116.94 118.77 2jpo h PHE 76 Ca -0.00 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.59 2jpo h PHE 76 Cb 0.16 0.24 -0.08 0.00 2.79 0.00 0.00 35.95 39.06 2jpo h PHE 76 CO 0.00 -0.46 0.63 0.00 -2.23 0.00 0.00 178.31 176.25 2jpo h ALA 77 N -1.28 1.52 -0.50 2.41 0.00 0.25 -1.08 119.26 120.57 2jpo h ALA 77 Ca -0.08 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2jpo h ALA 77 Cb 0.61 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2jpo h ALA 77 CO 0.13 0.25 0.33 0.52 0.00 0.00 0.00 179.25 180.49 2jpo h MET 78 N 1.01 0.52 -0.01 0.00 2.86 -0.67 -0.63 114.93 118.01 2jpo h MET 78 Ca 0.48 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.09 2jpo h MET 78 Cb 0.44 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2jpo h MET 78 CO -0.24 0.35 -0.21 1.63 1.06 0.00 0.00 176.91 179.49 2jpo n LYS 79 N -4.47 0.87 -0.11 1.72 4.76 -0.44 -4.45 118.16 116.04 2jpo n LYS 79 Ca 0.06 -0.48 -0.22 0.00 -2.87 0.00 0.00 58.31 54.80 2jpo n LYS 79 Cb 0.17 -1.49 -0.08 0.00 -1.84 0.00 0.00 35.03 31.79 2jpo n LYS 79 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2jpo n HIS 80 N -0.65 0.00 0.00 2.13 8.25 -0.37 -5.02 115.22 119.56 2jpo n HIS 80 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2jpo n HIS 80 Cb 0.34 -0.77 0.00 0.00 1.12 0.00 0.00 29.99 30.67 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 1.72 -0.54 3.31 -1.41 0.00 -0.49 -5.11 105.19 102.69 2jpo n GLY 81 Ca -0.42 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.93 0.51 4.61 0.00 -0.85 -4.96 121.76 120.14 2jpo s ALA 82 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.00 2jpo s ALA 82 Cb 0.00 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.78 2jpo s ALA 82 CO 0.00 -0.62 0.34 -0.51 0.00 0.00 0.00 175.76 174.97 2jpo s ASP 83 N -2.70 4.60 0.33 0.00 1.01 -1.26 -3.78 116.67 114.87 2jpo s ASP 83 Ca 0.02 -1.21 0.11 0.00 0.71 0.00 0.00 52.55 52.18 2jpo s ASP 83 Cb 0.02 0.21 0.98 0.00 1.01 0.00 0.00 42.92 45.13 2jpo s ASP 83 CO -0.11 -0.96 1.64 -0.33 0.21 0.00 0.00 175.17 175.62 2jpo h GLU 84 N 0.92 0.22 0.38 8.23 5.08 -1.98 0.19 114.58 127.63 2jpo h GLU 84 Ca -0.39 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 2jpo h GLU 84 Cb 1.29 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2jpo h GLU 84 CO 0.60 0.15 -0.21 1.15 -1.00 0.00 0.00 179.01 179.70 2jpo h THR 85 N 0.23 0.00 -0.24 1.13 2.02 -1.98 -0.59 112.91 113.49 2jpo h THR 85 Ca 0.68 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.81 2jpo h THR 85 Cb 1.54 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2jpo h THR 85 CO -0.66 0.00 -0.10 0.24 0.37 0.00 0.00 175.52 175.36 2jpo h MET 86 N -0.55 0.39 -0.05 6.66 2.86 -1.56 0.31 114.93 122.99 2jpo h MET 86 Ca -0.05 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2jpo h MET 86 Cb 0.43 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2jpo h MET 86 CO 0.07 0.50 -0.03 0.00 1.06 0.00 0.00 176.91 178.50 2jpo h ALA 87 N 1.53 0.01 -0.85 6.32 0.00 -0.75 -2.41 119.26 123.11 2jpo h ALA 87 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2jpo h ALA 87 Cb 0.41 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2jpo h ALA 87 CO 0.02 -0.52 0.54 0.37 0.00 0.00 0.00 179.25 179.67 2jpo h GLN 88 N -0.04 1.13 -0.14 0.00 -0.00 0.95 -0.99 115.11 116.01 2jpo h GLN 88 Ca 0.03 -0.08 0.05 0.00 -0.00 0.00 0.00 58.65 58.65 2jpo h GLN 88 Cb 0.09 -0.25 -0.06 0.00 0.00 0.00 0.00 27.48 27.26 2jpo h GLN 88 CO -0.07 0.76 -0.21 1.96 0.00 0.00 0.00 178.83 181.27 2jpo h GLN 89 N 1.16 -0.25 -0.06 1.69 4.20 -0.34 0.32 115.11 121.83 2jpo h GLN 89 Ca 0.31 0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.93 2jpo h GLN 89 Cb -0.10 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2jpo h GLN 89 CO -0.06 -0.16 -0.43 -0.07 -0.67 0.00 0.00 178.83 177.44 2jpo h LEU 90 N -0.26 0.14 -0.44 1.46 3.38 -0.89 0.06 115.31 118.76 2jpo h LEU 90 Ca 0.10 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2jpo h LEU 90 Cb 0.41 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2jpo h LEU 90 CO -0.29 0.56 0.29 0.58 0.09 0.00 0.00 178.44 179.66 2jpo h VAL 91 N 0.11 1.12 -0.60 1.22 2.07 -0.65 -1.12 116.25 118.40 2jpo h VAL 91 Ca 0.01 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.35 2jpo h VAL 91 Cb 0.80 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 2jpo h VAL 91 CO 0.06 0.11 0.34 -0.78 0.02 0.00 0.00 177.57 177.33 2jpo h ASP 92 N 0.60 0.54 -0.22 0.57 1.82 0.50 0.28 116.42 120.49 2jpo h ASP 92 Ca 0.16 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 2jpo h ASP 92 Cb -0.06 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 39.84 2jpo h ASP 92 CO -0.03 0.37 0.14 0.40 -1.61 0.00 0.00 179.24 178.50 2jpo h ILE 93 N 0.66 1.07 0.07 2.25 1.08 -0.62 0.92 117.51 122.94 2jpo h ILE 93 Ca 0.25 -0.15 -0.28 0.00 -0.39 0.00 0.00 64.86 64.29 2jpo h ILE 93 Cb 0.09 0.77 0.02 0.00 -3.07 0.00 0.00 36.82 34.63 2jpo h ILE 93 CO -0.13 0.07 -1.16 -0.29 -0.69 0.00 0.00 178.15 175.95 2jpo h ILE 94 N 0.29 1.30 0.00 -0.67 6.09 -1.04 0.12 117.51 123.60 2jpo h ILE 94 Ca 0.08 -2.42 0.00 0.00 -1.37 0.00 0.00 64.86 61.15 2jpo h ILE 94 Cb -0.01 2.58 0.00 0.00 0.47 0.00 0.00 36.82 39.86 2jpo h ILE 94 CO -0.02 0.74 0.00 0.45 -3.07 0.00 0.00 178.15 176.25 2jpo h HIS 95 N 0.30 0.00 0.03 2.19 3.86 -0.31 0.18 115.15 121.40 2jpo h HIS 95 Ca -0.16 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 58.67 2jpo h HIS 95 Cb 1.82 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 30.24 2jpo h HIS 95 CO 0.10 0.00 -2.35 0.41 0.86 0.00 0.00 177.93 176.95 2jpo n GLY 96 N -0.49 -0.41 0.26 2.45 0.00 0.30 -4.01 105.19 103.29 2jpo n GLY 96 Ca 0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 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 0.66 0.37 0.04 0.00 4.11 -0.86 -1.76 114.58 117.14 2jpo h GLU 98 Ca 0.09 -0.02 -0.16 0.00 0.07 0.00 0.00 59.36 59.33 2jpo h GLU 98 Cb 0.76 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.94 2jpo h GLU 98 CO 0.06 0.25 -0.66 1.57 0.07 0.00 0.00 179.01 180.29 2jpo h LYS 99 N 0.38 0.39 -0.00 1.06 5.09 -1.68 -3.27 116.57 118.54 2jpo h LYS 99 Ca 0.12 -0.46 0.00 0.00 0.09 0.00 0.00 60.65 60.39 2jpo h LYS 99 Cb -0.02 0.14 0.00 0.00 0.10 0.00 0.00 32.23 32.45 2jpo h LYS 99 CO -0.04 1.14 -0.00 0.45 -2.09 0.00 0.00 179.45 178.91 2jpo n SER 100 N -4.19 0.34 -4.24 7.07 2.88 0.26 -4.91 113.62 110.84 2jpo n SER 100 Ca -0.11 -1.10 -0.34 0.00 -1.33 0.00 0.00 58.87 55.99 2jpo n SER 100 Cb 0.71 -0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.26 2jpo n SER 100 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jpo n ALA 101 N -0.74 -3.93 -1.00 -1.46 0.00 -0.67 -5.01 120.51 107.70 2jpo n ALA 101 Ca 0.23 -0.75 -0.29 0.00 0.00 0.00 0.00 53.44 52.63 2jpo n ALA 101 Cb 0.17 -1.49 0.19 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.97 0.10 -1.11 0.00 0.04 -1.26 -4.94 135.00 124.86 2jpo s PRO 102 Ca 0.50 0.62 -0.17 0.00 0.04 0.00 0.00 61.00 61.99 2jpo s PRO 102 Cb -0.17 -1.69 0.12 0.00 0.04 0.00 0.00 34.50 32.80 2jpo s PRO 102 CO 0.72 -2.98 1.39 -1.25 0.04 0.00 0.00 177.00 174.92 2jpo s PRO 103 N -4.83 3.85 0.02 0.56 0.04 -1.26 -4.87 135.00 128.51 2jpo s PRO 103 Ca 0.66 -2.02 -0.17 0.00 0.04 0.00 0.00 61.00 59.52 2jpo s PRO 103 Cb -0.20 -5.14 0.03 0.00 0.04 0.00 0.00 34.50 29.23 2jpo s PRO 103 CO 0.59 -1.91 0.37 0.54 0.04 0.00 0.00 177.00 176.63 2jpo s ASN 104 N 3.62 -0.23 -0.25 6.66 4.22 -1.26 -5.16 114.94 122.54 2jpo s ASN 104 Ca 0.42 -0.00 -0.04 0.00 -2.14 0.00 0.00 52.86 51.09 2jpo s ASN 104 Cb -0.02 0.38 0.14 0.00 1.28 0.00 0.00 41.25 43.03 2jpo s ASN 104 CO -0.03 -0.59 0.48 -0.62 -2.04 0.00 0.00 177.10 174.30 2jpo s ASP 105 N -1.81 -0.48 0.36 3.54 2.15 -1.26 -4.85 116.67 114.32 2jpo s ASP 105 Ca -0.08 0.76 -0.02 0.00 0.43 0.00 0.00 52.55 53.64 2jpo s ASP 105 Cb -0.02 1.60 0.01 0.00 -0.30 0.00 0.00 42.92 44.21 2jpo s ASP 105 CO -0.00 -0.26 0.51 -0.67 -0.17 0.00 0.00 175.17 174.58 2jpo n ASP 106 N 5.40 -1.43 -0.39 -0.34 2.03 -1.26 -4.93 116.55 115.64 2jpo n ASP 106 Ca -0.05 -2.93 0.12 0.00 0.52 0.00 0.00 54.79 52.44 2jpo n ASP 106 Cb 0.50 2.65 0.18 0.00 -0.72 0.00 0.00 41.12 43.73 2jpo n ASP 106 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2jpo n LYS 107 N -0.59 1.06 0.00 -0.67 4.76 -1.26 -4.16 118.16 117.29 2jpo n LYS 107 Ca 0.00 -0.78 0.00 0.00 -2.87 0.00 0.00 58.31 54.67 2jpo n LYS 107 Cb 0.60 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 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 -0.92 -0.32 0.00 1.85 -1.83 -2.45 114.93 111.25 2jpo h MET 109 Ca 0.00 0.06 -0.10 0.00 -0.61 0.00 0.00 59.70 59.05 2jpo h MET 109 Cb 0.70 0.21 -0.01 0.00 0.43 0.00 0.00 31.60 32.92 2jpo h MET 109 CO 0.00 -0.61 -0.22 -0.22 -0.40 0.00 0.00 176.91 175.46 2jpo h LYS 110 N -0.96 0.60 -1.00 0.39 1.63 -1.88 0.08 116.57 115.43 2jpo h LYS 110 Ca -0.05 -0.22 0.11 0.00 -0.85 0.00 0.00 60.65 59.64 2jpo h LYS 110 Cb 0.85 -0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 32.37 2jpo h LYS 110 CO -0.12 0.77 0.64 1.15 -3.45 0.00 0.00 179.45 178.44 2jpo h THR 111 N 0.53 0.95 0.15 1.00 2.02 -1.82 -0.69 112.91 115.05 2jpo h THR 111 Ca 0.08 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 2jpo h THR 111 Cb 0.66 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2jpo h THR 111 CO 0.05 0.19 -0.07 0.40 0.37 0.00 0.00 175.52 176.45 2jpo h ILE 112 N 1.03 0.90 -0.24 3.11 2.04 -0.48 -0.12 117.51 123.74 2jpo h ILE 112 Ca 0.49 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 66.18 2jpo h ILE 112 Cb 0.44 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 2jpo h ILE 112 CO -0.25 0.05 0.08 0.44 0.00 0.00 0.00 178.15 178.47 2jpo h ASP 113 N -0.29 0.10 -0.63 1.72 3.32 -1.03 0.25 116.42 119.86 2jpo h ASP 113 Ca -0.02 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 2jpo h ASP 113 Cb 0.23 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2jpo h ASP 113 CO 0.03 0.09 0.13 0.58 -1.72 0.00 0.00 179.24 178.35 2jpo h VAL 114 N 0.19 1.26 -0.41 -1.35 2.07 -1.17 -0.11 116.25 116.73 2jpo h VAL 114 Ca 0.10 -0.97 -0.12 0.00 0.82 0.00 0.00 66.70 66.53 2jpo h VAL 114 Cb 0.07 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2jpo h VAL 114 CO -0.11 0.36 -0.22 0.00 0.02 0.00 0.00 177.57 177.63 2jpo h ALA 115 N 1.04 0.58 -0.26 1.67 0.00 -0.47 -1.03 119.26 120.79 2jpo h ALA 115 Ca 0.20 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 2jpo h ALA 115 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jpo h ALA 115 CO 0.01 0.56 -0.49 0.00 0.00 0.00 0.00 179.25 179.33 2jpo h MET 116 N 0.69 0.70 -0.40 0.00 -0.00 -0.38 -2.86 114.93 112.68 2jpo h MET 116 Ca 0.09 -0.41 0.04 0.00 -0.00 0.00 0.00 59.70 59.42 2jpo h MET 116 Cb 0.79 0.03 -0.04 0.00 -0.00 0.00 0.00 31.60 32.38 2jpo h MET 116 CO 0.06 1.03 0.16 0.00 -0.00 0.00 0.00 176.91 178.17 2jpo h PHE 118 N 0.34 -0.50 -0.92 0.00 3.04 -0.97 0.69 116.94 118.63 2jpo h PHE 118 Ca 0.18 0.04 0.08 0.00 3.98 0.00 0.00 57.97 62.25 2jpo h PHE 118 Cb 0.14 0.28 -0.06 0.00 2.56 0.00 0.00 35.95 38.86 2jpo h PHE 118 CO -0.13 -0.28 0.59 -0.22 -2.02 0.00 0.00 178.31 176.26 2jpo h LYS 119 N -0.13 0.98 -0.35 1.11 1.63 -1.30 -0.85 116.57 117.65 2jpo h LYS 119 Ca 0.19 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 59.88 2jpo h LYS 119 Cb 0.42 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 2jpo h LYS 119 CO -0.47 0.65 0.03 0.87 -3.45 0.00 0.00 179.45 177.08 2jpo h LYS 120 N 1.00 0.60 0.00 1.90 6.56 -0.58 -2.97 116.57 123.08 2jpo h LYS 120 Ca 0.40 -0.18 0.00 0.00 -1.06 0.00 0.00 60.65 59.82 2jpo h LYS 120 Cb 0.26 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.86 2jpo h LYS 120 CO -0.16 0.70 0.00 0.39 -2.06 0.00 0.00 179.45 178.31 2jpo n GLU 121 N -4.54 0.06 0.29 3.15 -0.58 -0.11 -1.27 120.64 117.64 2jpo n GLU 121 Ca -0.01 0.36 0.15 0.00 -0.42 0.00 0.00 57.16 57.24 2jpo n GLU 121 Cb 0.25 -1.63 0.87 0.00 -0.57 0.00 0.00 31.44 30.36 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 -0.07 -3.67 2.04 -1.12 -1.49 117.51 113.65 2jpo h ILE 122 Ca 0.00 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.64 2jpo h ILE 122 Cb 0.22 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2jpo h ILE 122 CO 0.00 0.05 0.15 0.45 0.00 0.00 0.00 178.15 178.80 2jpo h HIS 123 N 0.00 0.00 -0.01 1.37 3.86 -1.35 -2.36 115.15 116.65 2jpo h HIS 123 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2jpo h HIS 123 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 2jpo h HIS 123 CO 0.00 0.00 -0.03 0.36 0.86 0.00 0.00 177.93 179.12 2jpo n LYS 124 N -3.39 0.65 -0.02 2.45 -0.00 -0.57 -4.26 118.16 113.03 2jpo n LYS 124 Ca -0.01 -1.01 -0.08 0.00 -0.00 0.00 0.00 58.31 57.21 2jpo n LYS 124 Cb 0.24 -1.17 0.08 0.00 -0.00 0.00 0.00 35.03 34.18 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 1.79 0.65 0.00 -5.58 3.38 -1.36 -3.47 115.31 110.72 2jpo h LEU 125 Ca 0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2jpo h LEU 125 Cb 0.40 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2jpo h LEU 125 CO 0.00 0.99 0.00 0.59 0.09 0.00 0.00 178.44 180.11 2jpo n ASN 126 N -4.02 0.00 -4.58 -0.43 5.03 -1.24 -4.99 115.26 105.04 2jpo n ASN 126 Ca -0.02 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 55.17 2jpo n ASN 126 Cb 0.54 -0.31 -0.11 0.00 -1.02 0.00 0.00 39.78 38.87 2jpo n ASN 126 CO 0.00 0.00 0.00 -1.66 -1.83 0.00 0.00 177.26 173.77 2jpo s TRP 127 N -3.30 2.39 -0.38 3.10 1.48 -1.26 -5.13 118.94 115.84 2jpo s TRP 127 Ca 0.00 -0.72 0.04 0.00 -1.06 0.00 0.00 56.10 54.36 2jpo s TRP 127 Cb 0.00 -1.65 0.11 0.00 -1.16 0.00 0.00 33.47 30.76 2jpo s TRP 127 CO 0.00 0.36 0.10 0.08 -4.06 0.00 0.00 176.95 173.43 2jpo s VAL 128 N -2.83 2.37 0.97 -0.66 1.01 -1.26 -4.89 120.40 115.11 2jpo s VAL 128 Ca 0.35 -2.55 -0.11 0.00 0.00 0.00 0.00 61.98 59.67 2jpo s VAL 128 Cb 0.09 -2.72 0.18 0.00 0.00 0.00 0.00 36.38 33.93 2jpo s VAL 128 CO 0.17 -0.64 1.10 -2.16 0.00 0.00 0.00 175.10 173.57 2jpo s PRO 129 N 0.65 0.58 0.92 2.72 0.04 -1.26 -5.00 135.00 133.65 2jpo s PRO 129 Ca 0.12 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.32 2jpo s PRO 129 Cb -0.21 -1.70 0.14 0.00 0.04 0.00 0.00 34.50 32.78 2jpo s PRO 129 CO -0.06 -2.83 1.12 -0.80 0.04 0.00 0.00 177.00 174.46 2jpo s ASN 130 N -2.75 3.01 0.18 6.66 0.01 -1.26 -4.88 114.94 115.91 2jpo s ASN 130 Ca 0.66 2.01 -0.21 0.00 -0.71 0.00 0.00 52.86 54.62 2jpo s ASN 130 Cb -0.23 -2.51 0.11 0.00 0.41 0.00 0.00 41.25 39.03 2jpo s ASN 130 CO 0.60 -3.02 1.60 0.24 -1.51 0.00 0.00 177.10 175.01 2jpo h MET 131 N -1.81 -0.18 0.26 -0.60 2.86 -1.98 -2.77 114.93 110.72 2jpo h MET 131 Ca -0.46 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 2jpo h MET 131 Cb 1.27 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.95 2jpo h MET 131 CO 0.45 -0.12 -0.23 -0.44 1.06 0.00 0.00 176.91 177.63 2jpo h ASP 132 N -0.18 -0.62 -0.25 1.22 5.19 -1.98 -1.41 116.42 118.39 2jpo h ASP 132 Ca 0.21 0.05 0.04 0.00 -0.62 0.00 0.00 57.03 56.71 2jpo h ASP 132 Cb 0.52 0.21 -0.07 0.00 0.18 0.00 0.00 39.33 40.17 2jpo h ASP 132 CO -0.59 -0.35 -0.52 -0.07 -3.12 0.00 0.00 179.24 174.59 2jpo h LEU 133 N -0.52 -1.69 -0.77 1.55 4.07 -1.91 0.21 115.31 116.26 2jpo h LEU 133 Ca -0.01 0.21 -0.13 0.00 0.08 0.00 0.00 57.88 58.03 2jpo h LEU 133 Cb 0.47 0.67 -0.01 0.00 1.08 0.00 0.00 40.66 42.87 2jpo h LEU 133 CO -0.04 -0.42 -0.47 0.58 -1.08 0.00 0.00 178.44 177.02 2jpo h VAL 134 N -0.47 1.33 0.53 1.22 2.07 -1.20 -0.13 116.25 119.60 2jpo h VAL 134 Ca 0.05 -1.66 -0.03 0.00 0.82 0.00 0.00 66.70 65.88 2jpo h VAL 134 Cb 0.60 1.73 0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2jpo h VAL 134 CO -0.48 0.50 -0.25 0.40 0.02 0.00 0.00 177.57 177.76 2jpo h ILE 135 N 0.28 0.00 -0.85 4.57 2.04 -1.12 -3.19 117.51 119.25 2jpo h ILE 135 Ca 0.02 -0.28 0.20 0.00 1.00 0.00 0.00 64.86 65.80 2jpo h ILE 135 Cb 0.93 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.86 2jpo h ILE 135 CO 0.08 0.00 -0.03 1.23 0.00 0.00 0.00 178.15 179.43 2jpo h GLY 136 N -0.99 0.92 2.00 5.37 0.00 -0.40 -0.53 103.07 109.45 2jpo h GLY 136 Ca -0.07 0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.32 2jpo h GLY 136 CO 0.12 -0.36 -0.46 -2.09 0.00 0.00 0.00 176.54 173.75 2jpo h GLU 137 N 0.06 0.00 0.65 4.80 4.57 -1.14 -0.49 114.58 123.03 2jpo h GLU 137 Ca 0.47 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.62 2jpo h GLU 137 Cb 0.85 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.45 2jpo h GLU 137 CO -0.78 0.46 -0.31 -0.24 -1.18 0.00 0.00 179.01 176.95 2jpo h VAL 138 N 0.00 0.28 -0.80 0.32 3.04 -1.09 -2.70 116.25 115.30 2jpo h VAL 138 Ca -0.00 -0.21 0.13 0.00 -1.01 0.00 0.00 66.70 65.60 2jpo h VAL 138 Cb 0.86 0.34 -0.09 0.00 -2.01 0.00 0.00 31.29 30.40 2jpo h VAL 138 CO 0.06 0.02 0.40 -0.07 -1.01 0.00 0.00 177.57 176.98 2jpo h LEU 139 N -1.03 0.50 -0.08 3.16 -0.00 -1.14 -0.63 115.31 116.09 2jpo h LEU 139 Ca -0.09 0.08 0.04 0.00 -0.00 0.00 0.00 57.88 57.91 2jpo h LEU 139 Cb 0.70 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.32 2jpo h LEU 139 CO 0.15 0.23 -0.17 0.00 -0.00 0.00 0.00 178.44 178.65 2jpo h ALA 140 N 1.52 -0.15 0.00 1.53 0.00 -1.07 -2.83 119.26 118.26 2jpo h ALA 140 Ca 0.42 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.32 2jpo h ALA 140 Cb 0.55 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2jpo h ALA 140 CO -0.33 -0.64 -0.22 1.49 0.00 0.00 0.00 179.25 179.55 2jpo h GLU 141 N -0.24 0.00 -0.01 0.00 4.57 -1.07 0.14 114.58 117.97 2jpo h GLU 141 Ca 0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2jpo h GLU 141 Cb 0.36 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 2jpo h GLU 141 CO -0.22 0.22 0.00 0.28 -1.18 0.00 0.00 179.01 178.11