#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpa h SER 2 N 0.00 0.00 0.56 0.00 0.02 -2.11 -0.76 113.55 111.26 2jpa h SER 2 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jpa h SER 2 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2jpa h SER 2 CO 0.00 0.03 -0.09 -1.84 -1.14 0.00 0.00 176.83 173.78 2jpa n GLU 3 N -3.47 0.41 -2.15 3.45 0.00 -1.26 -4.75 120.64 112.87 2jpa n GLU 3 Ca -0.02 -0.10 -0.30 0.00 0.00 0.00 0.00 57.16 56.74 2jpa n GLU 3 Cb 0.13 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.02 2jpa n GLU 3 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2jpa s LYS 4 N -2.65 2.77 -0.50 3.44 2.47 -0.29 -4.84 119.74 120.13 2jpa s LYS 4 Ca 0.24 -0.57 0.05 0.00 -1.56 0.00 0.00 55.97 54.14 2jpa s LYS 4 Cb 0.20 -5.15 0.20 0.00 -1.46 0.00 0.00 37.83 31.62 2jpa s LYS 4 CO 0.50 -3.20 0.47 0.54 0.16 0.00 0.00 175.35 173.82 2jpa n ARG 5 N 8.79 0.97 -0.20 4.03 1.74 -1.26 -4.98 116.66 125.76 2jpa n ARG 5 Ca 0.40 -3.66 -0.00 0.00 -0.77 0.00 0.00 57.85 53.81 2jpa n ARG 5 Cb 0.48 -1.76 0.10 0.00 -1.02 0.00 0.00 32.46 30.26 2jpa n ARG 5 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2jpa h PRO 6 N 4.97 0.40 -5.31 5.56 0.11 -1.88 -3.43 132.00 132.42 2jpa h PRO 6 Ca 0.19 -0.02 -0.41 0.00 0.11 0.00 0.00 66.00 65.86 2jpa h PRO 6 Cb 0.84 -0.09 -0.14 0.00 0.11 0.00 0.00 31.00 31.71 2jpa h PRO 6 CO 0.53 0.27 -0.70 -0.06 -0.21 0.00 0.00 178.00 177.83 2jpa s PHE 7 N -6.10 1.61 0.09 0.65 0.40 -0.31 -5.01 117.98 109.31 2jpa s PHE 7 Ca -0.13 -0.73 0.01 0.00 -0.60 0.00 0.00 56.93 55.49 2jpa s PHE 7 Cb 0.17 -0.84 -0.04 0.00 0.51 0.00 0.00 43.02 42.81 2jpa s PHE 7 CO 0.74 0.18 -0.06 -1.64 0.70 0.00 0.00 175.22 175.14 2jpa s MET 8 N -3.74 0.77 0.21 0.44 -1.94 -1.26 -0.46 119.30 113.33 2jpa s MET 8 Ca 0.24 -1.25 -0.30 0.00 -1.71 0.00 0.00 55.69 52.67 2jpa s MET 8 Cb 0.02 -0.17 -0.09 0.00 2.01 0.00 0.00 34.83 36.61 2jpa s MET 8 CO 0.07 -0.02 1.20 0.00 -0.01 0.00 0.00 175.02 176.25 2jpa n ALA 10 N 2.16 2.18 -2.40 0.00 0.00 -1.26 -3.73 120.51 117.46 2jpa n ALA 10 Ca 0.03 -0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 2jpa n ALA 10 Cb 0.44 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 2jpa n ALA 10 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2jpa s TYR 11 N -3.14 2.94 0.60 0.00 5.04 -1.26 -4.89 117.35 116.65 2jpa s TYR 11 Ca 0.10 1.04 0.30 0.00 -2.44 0.00 0.00 57.07 56.07 2jpa s TYR 11 Cb 0.12 -3.50 1.72 0.00 0.35 0.00 0.00 41.96 40.65 2jpa s TYR 11 CO 0.56 -1.70 2.11 -1.35 -1.34 0.00 0.00 175.55 173.83 2jpa h PRO 12 N 7.94 0.00 -0.00 4.97 0.11 -2.01 0.99 132.00 144.01 2jpa h PRO 12 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2jpa h PRO 12 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2jpa h PRO 12 CO 0.93 0.00 -0.06 0.41 -0.21 0.00 0.00 178.00 179.07 2jpa n GLY 13 N -1.36 -1.11 0.84 -0.55 0.00 -1.26 -4.60 105.19 97.15 2jpa n GLY 13 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2jpa n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jpa n ASN 15 N -1.95 -2.94 -3.90 0.00 5.03 -0.19 -4.96 115.26 106.35 2jpa n ASN 15 Ca 0.00 -0.86 -0.29 0.00 0.87 0.00 0.00 54.58 54.31 2jpa n ASN 15 Cb 0.00 -2.44 0.20 0.00 -1.02 0.00 0.00 39.78 36.52 2jpa n ASN 15 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2jpa n LYS 16 N -4.07 -1.24 -4.05 3.52 5.02 -1.26 -4.63 118.16 111.45 2jpa n LYS 16 Ca 0.07 -2.05 -0.26 0.00 -2.02 0.00 0.00 58.31 54.04 2jpa n LYS 16 Cb 0.49 -1.33 -0.05 0.00 -0.02 0.00 0.00 35.03 34.12 2jpa n LYS 16 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2jpa s ARG 17 N -5.84 3.01 0.17 1.97 1.70 -1.26 -0.15 118.95 118.56 2jpa s ARG 17 Ca 0.74 -0.81 -0.02 0.00 -0.47 0.00 0.00 55.73 55.17 2jpa s ARG 17 Cb -0.02 -2.72 -0.04 0.00 -0.57 0.00 0.00 34.95 31.61 2jpa s ARG 17 CO 0.52 0.49 0.12 0.71 -1.08 0.00 0.00 175.30 176.06 2jpa s TYR 18 N -1.74 0.95 0.00 5.89 2.02 0.39 -4.87 117.35 120.00 2jpa s TYR 18 Ca 0.32 -1.25 0.00 0.00 -0.37 0.00 0.00 57.07 55.76 2jpa s TYR 18 Cb -0.10 -0.46 0.00 0.00 -0.40 0.00 0.00 41.96 40.99 2jpa s TYR 18 CO 0.24 -0.60 0.00 1.19 -1.57 0.00 0.00 175.55 174.81 2jpa n PHE 19 N -0.19 0.00 -3.65 2.71 3.01 -1.26 -1.16 117.46 116.92 2jpa n PHE 19 Ca -0.02 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.06 2jpa n PHE 19 Cb 0.65 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 40.00 2jpa n PHE 19 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2jpa s LYS 20 N -1.86 3.45 0.30 -1.08 -0.14 -1.26 -4.79 119.74 114.36 2jpa s LYS 20 Ca 0.00 -0.65 0.06 0.00 -1.36 0.00 0.00 55.97 54.02 2jpa s LYS 20 Cb 0.00 -3.57 0.81 0.00 -1.68 0.00 0.00 37.83 33.39 2jpa s LYS 20 CO 0.00 -0.37 1.68 1.37 -0.76 0.00 0.00 175.35 177.27 2jpa h LEU 21 N 8.35 0.31 -0.20 3.17 -0.00 -1.98 0.14 115.31 125.10 2jpa h LEU 21 Ca -0.33 0.17 -0.05 0.00 -0.00 0.00 0.00 57.88 57.67 2jpa h LEU 21 Cb 1.15 0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.97 2jpa h LEU 21 CO 0.61 -0.06 -0.09 0.77 -0.00 0.00 0.00 178.44 179.67 2jpa h SER 22 N 0.35 0.42 0.36 0.17 4.64 -1.98 0.18 113.55 117.70 2jpa h SER 22 Ca 0.60 -0.40 -0.07 0.00 -0.47 0.00 0.00 61.79 61.45 2jpa h SER 22 Cb 1.22 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2jpa h SER 22 CO -0.57 0.73 -0.32 1.12 -0.87 0.00 0.00 176.83 176.91 2jpa h HIS 23 N 0.11 0.00 -0.15 4.77 2.07 -1.52 0.18 115.15 120.61 2jpa h HIS 23 Ca 0.05 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.35 2jpa h HIS 23 Cb 0.57 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.56 2jpa h HIS 23 CO 0.06 0.32 -0.76 1.25 -3.07 0.00 0.00 177.93 175.74 2jpa h LEU 24 N 0.00 0.89 -1.12 6.12 7.12 -0.73 -1.33 115.31 126.25 2jpa h LEU 24 Ca -0.00 -0.58 0.05 0.00 0.13 0.00 0.00 57.88 57.48 2jpa h LEU 24 Cb 0.59 -0.26 -0.06 0.00 -0.53 0.00 0.00 40.66 40.41 2jpa h LEU 24 CO 0.04 1.37 0.60 -0.61 -0.13 0.00 0.00 178.44 179.71 2jpa h GLN 25 N 0.51 1.08 -0.19 1.25 4.15 0.36 0.19 115.11 122.46 2jpa h GLN 25 Ca -0.05 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.28 2jpa h GLN 25 Cb 1.38 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.82 2jpa h GLN 25 CO 0.15 0.71 -0.00 0.52 -1.93 0.00 0.00 178.83 178.28 2jpa h MET 26 N 1.11 0.34 -0.61 1.69 2.86 -0.62 -2.95 114.93 116.75 2jpa h MET 26 Ca 0.38 -0.11 0.06 0.00 -2.06 0.00 0.00 59.70 57.96 2jpa h MET 26 Cb 0.09 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 2jpa h MET 26 CO -0.13 0.55 0.40 1.25 1.06 0.00 0.00 176.91 180.05 2jpa h HIS 27 N 0.09 0.61 -0.55 -0.22 -0.00 -0.43 -1.52 115.15 113.13 2jpa h HIS 27 Ca 0.05 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.46 2jpa h HIS 27 Cb 0.40 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.58 2jpa h HIS 27 CO 0.04 0.33 0.36 0.77 -0.00 0.00 0.00 177.93 179.43 2jpa h SER 28 N 0.61 0.57 -0.92 3.26 0.02 -0.48 -0.95 113.55 115.68 2jpa h SER 28 Ca 0.26 -0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.30 2jpa h SER 28 Cb 0.24 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 62.58 2jpa h SER 28 CO -0.08 0.40 0.59 -0.09 -1.14 0.00 0.00 176.83 176.51 2jpa h ARG 29 N 0.67 0.87 -0.91 3.45 1.12 -1.26 0.17 114.38 118.49 2jpa h ARG 29 Ca 0.21 -0.05 0.05 0.00 -1.11 0.00 0.00 59.98 59.08 2jpa h ARG 29 Cb 0.04 -0.20 -0.06 0.00 -0.01 0.00 0.00 29.97 29.75 2jpa h ARG 29 CO -0.05 0.58 0.60 1.57 -3.11 0.00 0.00 179.97 179.55 2jpa h LYS 30 N 0.90 1.07 0.00 0.20 5.09 -1.28 -2.61 116.57 119.94 2jpa h LYS 30 Ca 0.43 -0.06 -0.03 0.00 0.09 0.00 0.00 60.65 61.07 2jpa h LYS 30 Cb 0.45 -0.24 -0.01 0.00 0.10 0.00 0.00 32.23 32.53 2jpa h LYS 30 CO -0.19 0.71 -0.73 0.45 -2.09 0.00 0.00 179.45 177.60 2jpa h HIS 31 N 1.11 0.00 -0.29 0.07 3.86 -0.83 -3.35 115.15 115.72 2jpa h HIS 31 Ca 0.37 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.67 2jpa h HIS 31 Cb 0.08 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 2jpa h HIS 31 CO -0.00 0.13 0.31 0.00 0.86 0.00 0.00 177.93 179.23 2jpa h THR 32 N 0.00 0.46 0.00 2.45 1.03 -0.47 0.42 112.91 116.80 2jpa h THR 32 Ca -0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.37 2jpa h THR 32 Cb 1.12 0.76 -0.00 0.00 -1.07 0.00 0.00 68.15 68.96 2jpa h THR 32 CO 0.01 0.00 -1.33 0.61 -0.01 0.00 0.00 175.52 174.81 2jpa n GLY 33 N -1.45 -1.32 0.00 2.99 0.00 -1.25 -4.00 105.19 100.15 2jpa n GLY 33 Ca 0.04 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.87 2jpa n GLY 33 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jpa n GLU 34 N -2.55 0.02 -3.20 1.61 1.02 0.92 -4.10 120.64 114.36 2jpa n GLU 34 Ca -0.01 0.01 -0.27 0.00 -0.02 0.00 0.00 57.16 56.86 2jpa n GLU 34 Cb 0.56 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 30.41 2jpa n GLU 34 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2jpa n LYS 35 N -1.54 2.90 -2.30 3.49 0.00 0.11 -5.08 118.16 115.74 2jpa n LYS 35 Ca 0.06 -4.76 -0.42 0.00 0.00 0.00 0.00 58.31 53.19 2jpa n LYS 35 Cb 0.34 -2.26 -0.03 0.00 0.00 0.00 0.00 35.03 33.09 2jpa n LYS 35 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2jpa s PRO 36 N -2.94 4.33 0.77 1.64 0.04 -1.26 -4.89 135.00 132.70 2jpa s PRO 36 Ca 0.44 1.88 -0.11 0.00 0.04 0.00 0.00 61.00 63.25 2jpa s PRO 36 Cb 0.20 -3.47 0.05 0.00 0.04 0.00 0.00 34.50 31.33 2jpa s PRO 36 CO -0.07 -0.46 1.08 0.71 0.04 0.00 0.00 177.00 178.31 2jpa s TYR 37 N 1.87 2.81 0.08 0.56 1.51 0.17 -4.82 117.35 119.53 2jpa s TYR 37 Ca 0.61 1.32 0.04 0.00 -1.01 0.00 0.00 57.07 58.04 2jpa s TYR 37 Cb -0.31 -3.03 -0.03 0.00 -0.11 0.00 0.00 41.96 38.48 2jpa s TYR 37 CO 0.27 -1.68 -0.11 1.14 -1.11 0.00 0.00 175.55 174.06 2jpa s GLN 38 N -5.05 0.78 0.68 -0.62 -2.07 -1.26 -0.45 119.66 111.67 2jpa s GLN 38 Ca 0.60 -1.01 -0.15 0.00 -1.82 0.00 0.00 55.36 52.98 2jpa s GLN 38 Cb -0.15 -0.59 0.01 0.00 -1.09 0.00 0.00 33.01 31.19 2jpa s GLN 38 CO 0.55 0.11 1.15 0.00 -1.32 0.00 0.00 175.29 175.78 2jpa n ASP 40 N -2.46 2.24 0.18 0.00 2.03 -1.26 -4.12 116.55 113.16 2jpa n ASP 40 Ca 0.12 -2.17 0.13 0.00 0.52 0.00 0.00 54.79 53.39 2jpa n ASP 40 Cb 0.51 -0.11 0.63 0.00 -0.72 0.00 0.00 41.12 41.43 2jpa n ASP 40 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2jpa h PHE 41 N 0.35 0.00 0.00 -0.67 3.57 -1.96 -3.46 116.94 114.77 2jpa h PHE 41 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2jpa h PHE 41 Cb 0.63 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.37 2jpa h PHE 41 CO 0.05 0.00 0.00 1.63 -2.23 0.00 0.00 178.31 177.76 2jpa n LYS 42 N -2.45 0.00 -0.25 1.11 4.76 -1.26 -4.51 118.16 115.56 2jpa n LYS 42 Ca 0.00 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.42 2jpa n LYS 42 Cb 0.16 -0.05 0.07 0.00 -1.84 0.00 0.00 35.03 33.37 2jpa n LYS 42 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2jpa n ASP 43 N 1.98 2.65 0.00 4.39 2.03 -1.26 -4.47 116.55 121.87 2jpa n ASP 43 Ca 0.00 -2.30 0.00 0.00 0.52 0.00 0.00 54.79 53.01 2jpa n ASP 43 Cb 0.00 -0.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.84 2jpa n ASP 43 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jpa n GLU 45 N -1.47 -1.72 -2.18 0.00 -0.58 -1.26 -4.97 120.64 108.47 2jpa n GLU 45 Ca 0.00 0.95 -0.35 0.00 -0.42 0.00 0.00 57.16 57.34 2jpa n GLU 45 Cb 0.00 -5.52 0.01 0.00 -0.57 0.00 0.00 31.44 25.36 2jpa n GLU 45 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2jpa s ARG 46 N -4.63 3.26 0.10 3.49 0.52 -1.26 -4.46 118.95 115.97 2jpa s ARG 46 Ca 0.00 1.61 0.03 0.00 -0.52 0.00 0.00 55.73 56.84 2jpa s ARG 46 Cb 0.00 -1.99 -0.04 0.00 0.52 0.00 0.00 34.95 33.44 2jpa s ARG 46 CO 0.00 -0.92 0.14 1.03 0.02 0.00 0.00 175.30 175.57 2jpa s ARG 47 N -3.38 3.09 0.17 3.54 3.00 -1.26 -0.18 118.95 123.93 2jpa s ARG 47 Ca 0.73 -0.65 0.01 0.00 0.00 0.00 0.00 55.73 55.82 2jpa s ARG 47 Cb -0.24 -2.82 -0.05 0.00 0.00 0.00 0.00 34.95 31.85 2jpa s ARG 47 CO 0.29 0.56 0.01 -0.06 0.00 0.00 0.00 175.30 176.10 2jpa s PHE 48 N -1.52 1.15 -1.67 -0.53 0.08 0.40 -4.96 117.98 110.93 2jpa s PHE 48 Ca 0.32 -1.06 0.14 0.00 0.12 0.00 0.00 56.93 56.45 2jpa s PHE 48 Cb -0.12 -0.66 0.15 0.00 -0.57 0.00 0.00 43.02 41.83 2jpa s PHE 48 CO 0.24 -0.27 1.00 -1.13 -0.10 0.00 0.00 175.22 174.97 2jpa n SER 49 N -0.22 2.33 -3.74 1.36 3.41 -1.26 -0.66 113.62 114.84 2jpa n SER 49 Ca -0.06 -1.65 -0.11 0.00 -0.26 0.00 0.00 58.87 56.79 2jpa n SER 49 Cb 0.63 -0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.47 2jpa n SER 49 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2jpa s ARG 50 N -1.15 0.89 0.28 4.33 0.52 -1.26 -4.53 118.95 118.04 2jpa s ARG 50 Ca 0.18 -0.66 -0.02 0.00 -0.52 0.00 0.00 55.73 54.71 2jpa s ARG 50 Cb 0.12 0.38 0.39 0.00 0.52 0.00 0.00 34.95 36.36 2jpa s ARG 50 CO 0.18 -0.31 1.85 0.66 0.02 0.00 0.00 175.30 177.70 2jpa h SER 51 N 2.87 0.84 -0.11 0.23 4.64 -1.98 -1.57 113.55 118.47 2jpa h SER 51 Ca -0.33 -0.12 -0.13 0.00 -0.47 0.00 0.00 61.79 60.74 2jpa h SER 51 Cb 1.21 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 2jpa h SER 51 CO 0.49 0.77 -0.38 -2.24 -0.87 0.00 0.00 176.83 174.59 2jpa h ASP 52 N 0.89 0.66 -0.33 4.97 3.04 -1.97 0.16 116.42 123.84 2jpa h ASP 52 Ca 0.21 -0.29 -0.02 0.00 -3.24 0.00 0.00 57.03 53.69 2jpa h ASP 52 Cb 0.21 -0.19 -0.01 0.00 -1.04 0.00 0.00 39.33 38.30 2jpa h ASP 52 CO -0.02 0.97 0.12 1.56 -2.04 0.00 0.00 179.24 179.83 2jpa h GLN 53 N 0.52 0.51 -0.17 4.15 4.20 -1.86 0.30 115.11 122.76 2jpa h GLN 53 Ca 0.05 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2jpa h GLN 53 Cb 0.89 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2jpa h GLN 53 CO 0.08 0.53 0.04 1.25 -0.67 0.00 0.00 178.83 180.06 2jpa h LEU 54 N 0.38 0.26 -0.70 1.46 5.85 -1.19 0.13 115.31 121.50 2jpa h LEU 54 Ca 0.11 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 2jpa h LEU 54 Cb 0.22 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 2jpa h LEU 54 CO -0.01 0.43 0.40 0.50 -0.34 0.00 0.00 178.44 179.42 2jpa h LYS 55 N 0.09 0.97 -0.35 1.25 3.64 -0.57 0.17 116.57 121.77 2jpa h LYS 55 Ca 0.05 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2jpa h LYS 55 Cb 0.27 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2jpa h LYS 55 CO 0.00 0.71 0.21 -0.09 -2.27 0.00 0.00 179.45 178.00 2jpa h ARG 56 N 0.96 0.47 -0.80 1.90 2.43 -0.33 -2.90 114.38 116.12 2jpa h ARG 56 Ca 0.25 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2jpa h ARG 56 Cb 0.01 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 2jpa h ARG 56 CO -0.04 0.36 0.49 1.25 -1.51 0.00 0.00 179.97 180.52 2jpa h HIS 57 N 0.45 1.04 -0.68 2.20 2.76 -0.14 -1.66 115.15 119.13 2jpa h HIS 57 Ca 0.12 0.00 0.19 0.00 -2.20 0.00 0.00 60.37 58.48 2jpa h HIS 57 Cb 0.02 -0.34 -0.03 0.00 1.55 0.00 0.00 27.41 28.60 2jpa h HIS 57 CO -0.04 0.69 0.48 1.96 -1.30 0.00 0.00 177.93 179.72 2jpa h GLN 58 N 1.09 0.06 -0.66 5.26 1.08 -0.47 0.26 115.11 121.72 2jpa h GLN 58 Ca 0.29 -0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.62 2jpa h GLN 58 Cb -0.06 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.32 2jpa h GLN 58 CO -0.06 0.04 0.45 0.00 -0.95 0.00 0.00 178.83 178.31 2jpa h ARG 59 N 0.06 0.30 -0.68 1.46 2.47 -1.24 0.11 114.38 116.86 2jpa h ARG 59 Ca 0.33 -0.02 0.07 0.00 -1.26 0.00 0.00 59.98 59.10 2jpa h ARG 59 Cb 1.21 -0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 29.40 2jpa h ARG 59 CO -0.02 0.20 0.35 -0.09 0.56 0.00 0.00 179.97 180.97 2jpa h ARG 60 N 0.31 0.61 0.14 0.04 2.43 -1.08 -0.12 114.38 116.71 2jpa h ARG 60 Ca 0.32 -0.04 -0.35 0.00 -0.81 0.00 0.00 59.98 59.10 2jpa h ARG 60 Cb 0.81 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2jpa h ARG 60 CO -0.08 0.41 -1.85 0.45 -1.51 0.00 0.00 179.97 177.39 2jpa h HIS 61 N 0.63 0.55 0.00 2.20 3.86 -1.09 -3.32 115.15 117.98 2jpa h HIS 61 Ca 0.32 -0.40 -0.04 0.00 -1.16 0.00 0.00 60.37 59.09 2jpa h HIS 61 Cb 0.27 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 2jpa h HIS 61 CO -0.09 1.67 -0.18 1.79 0.86 0.00 0.00 177.93 181.97 2jpa h THR 62 N 0.08 0.47 0.00 2.45 1.35 -0.92 -3.47 112.91 112.88 2jpa h THR 62 Ca -0.37 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 2jpa h THR 62 Cb 2.06 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 70.15 2jpa h THR 62 CO 0.13 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 2jpa n GLY 63 N 0.03 0.57 3.55 5.82 0.00 -0.08 -4.98 105.19 110.10 2jpa n GLY 63 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2jpa n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jpa s VAL 64 N -2.26 3.57 -0.78 1.61 1.01 -1.09 -4.92 120.40 117.53 2jpa s VAL 64 Ca 0.00 0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.30 2jpa s VAL 64 Cb 0.00 -4.50 0.21 0.00 0.00 0.00 0.00 36.38 32.08 2jpa s VAL 64 CO 0.00 -1.46 0.69 0.29 0.00 0.00 0.00 175.10 174.62 2jpa n LYS 65 N 9.29 2.36 0.21 2.72 4.01 -1.26 -4.54 118.16 130.94 2jpa n LYS 65 Ca 0.11 -4.53 0.11 0.00 -0.51 0.00 0.00 58.31 53.50 2jpa n LYS 65 Cb 0.50 -2.34 0.15 0.00 -0.51 0.00 0.00 35.03 32.83 2jpa n LYS 65 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2jpa h PRO 66 N 5.38 0.00 -5.97 1.97 0.13 -1.84 -3.37 132.00 128.30 2jpa h PRO 66 Ca 0.17 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.71 2jpa h PRO 66 Cb 0.75 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.79 2jpa h PRO 66 CO 0.82 0.04 1.65 -0.06 -0.23 0.00 0.00 178.00 180.21 2jpa s PHE 67 N -3.20 2.52 -0.09 1.56 0.08 -0.42 -4.91 117.98 113.53 2jpa s PHE 67 Ca 0.06 -0.91 -0.10 0.00 0.12 0.00 0.00 56.93 56.10 2jpa s PHE 67 Cb 0.05 -4.63 -0.05 0.00 -0.57 0.00 0.00 43.02 37.83 2jpa s PHE 67 CO 0.68 -1.85 0.25 -1.14 -0.10 0.00 0.00 175.22 173.06 2jpa s GLN 68 N 4.97 3.73 0.23 0.44 0.74 -1.26 -0.33 119.66 128.18 2jpa s GLN 68 Ca 0.52 0.07 -0.30 0.00 0.05 0.00 0.00 55.36 55.69 2jpa s GLN 68 Cb 0.01 -3.24 -0.10 0.00 1.10 0.00 0.00 33.01 30.78 2jpa s GLN 68 CO -0.02 0.67 1.49 0.00 -0.55 0.00 0.00 175.29 176.87 2jpa n LYS 70 N 2.82 0.15 -0.08 0.00 -0.00 -1.26 -3.83 118.16 115.95 2jpa n LYS 70 Ca 0.09 0.11 -0.13 0.00 -0.00 0.00 0.00 58.31 58.37 2jpa n LYS 70 Cb 0.39 -1.66 -0.08 0.00 -0.00 0.00 0.00 35.03 33.69 2jpa n LYS 70 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 2jpa h THR 71 N 0.00 0.74 0.00 0.58 2.02 -1.99 -3.47 112.91 110.79 2jpa h THR 71 Ca 0.00 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.41 2jpa h THR 71 Cb 0.63 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 2jpa h THR 71 CO 0.00 0.25 0.00 0.00 0.37 0.00 0.00 175.52 176.14 2jpa n GLN 73 N 0.00 0.00 -1.66 0.00 10.64 -1.25 -4.92 117.38 120.19 2jpa n GLN 73 Ca 0.00 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.75 2jpa n GLN 73 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 2jpa n GLN 73 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2jpa n ARG 74 N 0.00 2.88 -4.05 2.61 5.12 -1.26 -4.55 116.66 117.41 2jpa n ARG 74 Ca 0.00 1.06 -0.36 0.00 -1.93 0.00 0.00 57.85 56.61 2jpa n ARG 74 Cb 0.39 -3.01 -0.07 0.00 -1.16 0.00 0.00 32.46 28.60 2jpa n ARG 74 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2jpa s LYS 75 N 4.43 3.28 0.08 5.56 1.02 -1.26 -0.19 119.74 132.67 2jpa s LYS 75 Ca 0.89 -0.22 0.01 0.00 0.02 0.00 0.00 55.97 56.66 2jpa s LYS 75 Cb -0.43 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 2jpa s LYS 75 CO 0.42 0.75 -0.06 -0.06 -0.92 0.00 0.00 175.35 175.49 2jpa s PHE 76 N -0.98 0.79 -1.73 3.18 0.08 0.56 -4.97 117.98 114.90 2jpa s PHE 76 Ca 0.14 -0.95 0.16 0.00 0.12 0.00 0.00 56.93 56.40 2jpa s PHE 76 Cb -0.12 -0.48 0.26 0.00 -0.57 0.00 0.00 43.02 42.11 2jpa s PHE 76 CO 0.03 -0.21 1.16 0.43 -0.10 0.00 0.00 175.22 176.53 2jpa n SER 77 N 0.01 2.75 -3.74 1.36 7.64 -1.26 -1.30 113.62 119.08 2jpa n SER 77 Ca -0.13 -1.80 -0.19 0.00 1.01 0.00 0.00 58.87 57.76 2jpa n SER 77 Cb 0.61 -0.14 -0.17 0.00 -1.01 0.00 0.00 64.21 63.50 2jpa n SER 77 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2jpa s ARG 78 N -1.20 0.13 0.51 1.43 0.52 -1.26 -4.94 118.95 114.14 2jpa s ARG 78 Ca 0.25 0.23 0.20 0.00 -0.52 0.00 0.00 55.73 55.89 2jpa s ARG 78 Cb 0.15 -0.54 1.32 0.00 0.52 0.00 0.00 34.95 36.40 2jpa s ARG 78 CO 0.21 -0.25 2.10 0.66 0.02 0.00 0.00 175.30 178.04 2jpa h SER 79 N 7.96 0.00 -0.36 0.23 4.64 -1.97 -1.38 113.55 122.67 2jpa h SER 79 Ca -0.26 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.97 2jpa h SER 79 Cb 1.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 2jpa h SER 79 CO 0.30 0.08 -0.11 -2.24 -0.87 0.00 0.00 176.83 173.99 2jpa h ASP 80 N 0.00 0.79 0.19 4.97 3.04 -1.98 0.20 116.42 123.63 2jpa h ASP 80 Ca -0.00 -0.24 -0.21 0.00 -3.24 0.00 0.00 57.03 53.34 2jpa h ASP 80 Cb 0.17 -0.21 0.00 0.00 -1.04 0.00 0.00 39.33 38.25 2jpa h ASP 80 CO 0.01 0.92 -0.84 0.45 -2.04 0.00 0.00 179.24 177.74 2jpa h HIS 81 N 0.73 0.70 -0.13 4.15 3.86 -1.77 -1.00 115.15 121.69 2jpa h HIS 81 Ca 0.12 -0.34 -0.03 0.00 -1.16 0.00 0.00 60.37 58.96 2jpa h HIS 81 Cb 0.60 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.97 2jpa h HIS 81 CO 0.03 1.14 -0.01 1.25 0.86 0.00 0.00 177.93 181.20 2jpa h LEU 82 N 0.32 0.25 -1.42 2.43 6.46 -1.09 0.28 115.31 122.53 2jpa h LEU 82 Ca -0.06 -0.34 -0.02 0.00 -0.12 0.00 0.00 57.88 57.34 2jpa h LEU 82 Cb 1.46 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 41.30 2jpa h LEU 82 CO 0.15 0.53 0.17 0.50 -0.62 0.00 0.00 178.44 179.16 2jpa h LYS 83 N -0.04 0.55 -0.03 1.25 3.64 -0.65 0.44 116.57 121.73 2jpa h LYS 83 Ca 0.04 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2jpa h LYS 83 Cb 0.41 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2jpa h LYS 83 CO 0.01 0.45 -0.00 1.15 -2.27 0.00 0.00 179.45 178.79 2jpa h THR 84 N 0.55 1.28 -0.06 1.00 2.02 -0.97 -3.09 112.91 113.65 2jpa h THR 84 Ca 0.14 -0.83 -0.04 0.00 0.77 0.00 0.00 66.41 66.45 2jpa h THR 84 Cb 0.10 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 2jpa h THR 84 CO -0.02 0.22 -0.15 -0.74 0.37 0.00 0.00 175.52 175.20 2jpa h HIS 85 N -0.28 0.09 -0.97 3.16 -0.00 0.08 -1.65 115.15 115.58 2jpa h HIS 85 Ca 0.01 -0.01 0.13 0.00 -0.00 0.00 0.00 60.37 60.49 2jpa h HIS 85 Cb 0.36 -0.03 -0.09 0.00 -0.00 0.00 0.00 27.41 27.66 2jpa h HIS 85 CO 0.04 0.24 0.59 1.15 -0.00 0.00 0.00 177.93 179.96 2jpa h THR 86 N 0.08 0.88 0.00 6.26 2.02 -0.05 0.30 112.91 122.40 2jpa h THR 86 Ca 0.02 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 2jpa h THR 86 Cb 0.33 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.62 2jpa h THR 86 CO 0.02 0.17 -0.03 0.03 0.37 0.00 0.00 175.52 176.08 2jpa h ARG 87 N 0.92 0.00 -0.69 6.66 3.08 -1.27 -0.29 114.38 122.79 2jpa h ARG 87 Ca 0.49 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.59 2jpa h ARG 87 Cb 0.52 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 2jpa h ARG 87 CO -0.28 0.03 0.40 1.15 -1.07 0.00 0.00 179.97 180.19 2jpa h THR 88 N 0.00 1.01 0.00 2.04 2.02 -1.04 0.11 112.91 117.05 2jpa h THR 88 Ca -0.00 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 2jpa h THR 88 Cb 0.11 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 2jpa h THR 88 CO 0.00 0.14 -0.92 0.45 0.37 0.00 0.00 175.52 175.56 2jpa h HIS 89 N 0.75 0.00 -0.01 3.16 3.86 -1.23 -3.33 115.15 118.35 2jpa h HIS 89 Ca 0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 2jpa h HIS 89 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2jpa h HIS 89 CO -0.07 0.21 -0.38 2.41 0.86 0.00 0.00 177.93 180.97 2jpa n THR 90 N -2.85 0.00 -1.11 2.45 -1.04 -0.27 -4.94 114.28 106.52 2jpa n THR 90 Ca -0.02 -0.11 -0.04 0.00 -2.04 0.00 0.00 64.05 61.85 2jpa n THR 90 Cb 0.64 0.49 -0.02 0.00 -1.82 0.00 0.00 70.33 69.63 2jpa n THR 90 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jpa n GLY 91 N 1.39 0.43 3.57 3.41 0.00 0.36 -4.92 105.19 109.43 2jpa n GLY 91 Ca 0.10 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2jpa n GLY 91 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jpa s GLU 92 N -2.04 3.20 -0.61 1.61 2.12 -1.06 -4.94 118.70 116.99 2jpa s GLU 92 Ca 0.00 0.26 0.04 0.00 0.36 0.00 0.00 54.97 55.63 2jpa s GLU 92 Cb 0.00 -4.17 0.16 0.00 0.26 0.00 0.00 34.13 30.39 2jpa s GLU 92 CO 0.00 -2.08 0.41 0.15 -0.54 0.00 0.00 175.26 173.21 2jpa s LYS 93 N 5.72 2.06 0.09 4.30 1.02 -1.26 -4.38 119.74 127.29 2jpa s LYS 93 Ca 0.49 -2.94 0.25 0.00 0.02 0.00 0.00 55.97 53.78 2jpa s LYS 93 Cb -0.10 -3.02 0.49 0.00 -0.52 0.00 0.00 37.83 34.68 2jpa s LYS 93 CO 0.22 -1.26 1.43 -0.35 -0.92 0.00 0.00 175.35 174.46 2jpa n PRO 94 N 2.41 0.20 -2.46 -1.68 -0.04 -0.98 -4.35 135.00 128.09 2jpa n PRO 94 Ca 0.18 0.07 -0.43 0.00 -0.04 0.00 0.00 63.50 63.28 2jpa n PRO 94 Cb 0.36 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 2jpa n PRO 94 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2jpa n PHE 95 N -1.93 4.23 -2.76 0.54 3.72 -0.24 -4.90 117.46 116.13 2jpa n PHE 95 Ca 0.04 -3.00 -0.36 0.00 -0.05 0.00 0.00 57.45 54.08 2jpa n PHE 95 Cb 0.41 -2.39 -0.06 0.00 -0.94 0.00 0.00 39.48 36.49 2jpa n PHE 95 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2jpa s SER 96 N 3.08 7.15 0.79 4.37 0.15 -1.26 -1.03 113.70 126.95 2jpa s SER 96 Ca 0.47 1.83 -0.11 0.00 0.70 0.00 0.00 55.95 58.84 2jpa s SER 96 Cb 0.05 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.86 2jpa s SER 96 CO 0.01 -0.21 1.09 0.00 1.20 0.00 0.00 173.24 175.33 2jpa n ARG 98 N -3.56 0.03 -1.94 0.00 3.00 -1.26 -4.62 116.66 108.31 2jpa n ARG 98 Ca 0.08 -0.62 -0.37 0.00 -0.01 0.00 0.00 57.85 56.94 2jpa n ARG 98 Cb 0.54 -0.89 0.04 0.00 0.00 0.00 0.00 32.46 32.15 2jpa n ARG 98 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2jpa s TRP 99 N -0.20 2.34 -0.97 -1.55 0.52 -1.26 -4.85 118.94 112.97 2jpa s TRP 99 Ca 0.00 1.49 0.00 0.00 0.02 0.00 0.00 56.10 57.61 2jpa s TRP 99 Cb 0.00 -3.57 0.00 0.00 -1.15 0.00 0.00 33.47 28.75 2jpa s TRP 99 CO 0.00 -2.42 0.21 -2.30 0.02 0.00 0.00 176.95 172.45 2jpa n PRO 100 N -1.50 0.40 -0.67 4.98 -0.02 -1.26 -2.04 135.00 134.89 2jpa n PRO 100 Ca 0.13 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.58 2jpa n PRO 100 Cb 0.49 -1.20 -0.03 0.00 -0.02 0.00 0.00 33.50 32.73 2jpa n PRO 100 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2jpa n SER 101 N 0.32 -0.44 -4.09 2.55 7.64 -1.26 -5.15 113.62 113.18 2jpa n SER 101 Ca 0.00 -1.22 -0.09 0.00 1.01 0.00 0.00 58.87 58.57 2jpa n SER 101 Cb 0.10 0.13 -0.09 0.00 -1.01 0.00 0.00 64.21 63.34 2jpa n SER 101 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jpa n GLN 103 N -0.06 0.68 -2.37 0.00 -0.06 -1.26 -4.49 117.38 109.83 2jpa n GLN 103 Ca -0.08 -0.91 -0.36 0.00 -2.00 0.00 0.00 57.00 53.64 2jpa n GLN 103 Cb 0.63 0.41 -0.02 0.00 -4.06 0.00 0.00 30.24 27.20 2jpa n GLN 103 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 2jpa s LYS 104 N 0.06 3.79 0.01 3.69 3.01 -1.26 -4.62 119.74 124.43 2jpa s LYS 104 Ca 0.04 1.63 0.09 0.00 -1.01 0.00 0.00 55.97 56.72 2jpa s LYS 104 Cb 0.22 -2.33 -0.02 0.00 -1.01 0.00 0.00 37.83 34.69 2jpa s LYS 104 CO -0.06 -0.49 -0.26 0.15 0.51 0.00 0.00 175.35 175.20 2jpa s LYS 105 N -2.83 1.95 0.21 1.68 1.02 -1.26 -0.22 119.74 120.30 2jpa s LYS 105 Ca 0.64 -1.01 0.06 0.00 0.02 0.00 0.00 55.97 55.68 2jpa s LYS 105 Cb -0.24 -2.00 -0.05 0.00 -0.52 0.00 0.00 37.83 35.02 2jpa s LYS 105 CO 0.30 0.53 -0.08 -0.06 -0.92 0.00 0.00 175.35 175.12 2jpa s PHE 106 N -0.70 1.62 -2.36 3.18 0.08 -0.20 -4.95 117.98 114.65 2jpa s PHE 106 Ca 0.11 -0.73 0.24 0.00 0.12 0.00 0.00 56.93 56.67 2jpa s PHE 106 Cb -0.10 -0.85 0.23 0.00 -0.57 0.00 0.00 43.02 41.73 2jpa s PHE 106 CO 0.00 0.18 1.25 0.00 -0.10 0.00 0.00 175.22 176.56 2jpa n ALA 107 N -0.39 3.07 -2.76 5.36 0.00 -1.26 -1.07 120.51 123.45 2jpa n ALA 107 Ca -0.07 -0.62 -0.16 0.00 0.00 0.00 0.00 53.44 52.59 2jpa n ALA 107 Cb 0.62 -0.87 -0.13 0.00 0.00 0.00 0.00 19.45 19.07 2jpa n ALA 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jpa s ARG 108 N -2.28 0.58 0.11 0.00 0.52 -1.26 -4.85 118.95 111.76 2jpa s ARG 108 Ca 0.24 -0.48 -0.22 0.00 -0.52 0.00 0.00 55.73 54.75 2jpa s ARG 108 Cb 0.19 -0.49 -0.08 0.00 0.52 0.00 0.00 34.95 35.09 2jpa s ARG 108 CO 0.46 0.12 1.72 0.66 0.02 0.00 0.00 175.30 178.27 2jpa h SER 109 N 5.33 -0.13 -0.16 0.23 4.64 -1.96 -1.90 113.55 119.59 2jpa h SER 109 Ca -0.32 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 60.99 2jpa h SER 109 Cb 1.19 0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 2jpa h SER 109 CO 0.46 -0.05 -0.01 -2.24 -0.87 0.00 0.00 176.83 174.12 2jpa h ASP 110 N -0.02 0.39 -0.73 4.97 2.03 -1.97 0.31 116.42 121.39 2jpa h ASP 110 Ca 0.05 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 2jpa h ASP 110 Cb 0.10 -0.10 -0.04 0.00 -0.83 0.00 0.00 39.33 38.47 2jpa h ASP 110 CO -0.12 0.46 0.46 -0.33 -1.03 0.00 0.00 179.24 178.68 2jpa h GLU 111 N 0.40 0.97 -0.44 4.15 5.08 -1.85 0.31 114.58 123.20 2jpa h GLU 111 Ca 0.09 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 2jpa h GLU 111 Cb 0.28 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2jpa h GLU 111 CO 0.01 0.67 -0.26 1.25 -1.00 0.00 0.00 179.01 179.68 2jpa h LEU 112 N 0.99 0.99 -0.83 1.33 5.85 -0.53 -1.13 115.31 121.98 2jpa h LEU 112 Ca 0.26 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 2jpa h LEU 112 Cb -0.07 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.65 2jpa h LEU 112 CO -0.05 1.19 0.50 -0.37 -0.34 0.00 0.00 178.44 179.37 2jpa h VAL 113 N 0.79 1.23 -0.26 1.05 -1.51 0.08 0.73 116.25 118.36 2jpa h VAL 113 Ca 0.09 -0.51 -0.02 0.00 -1.23 0.00 0.00 66.70 65.04 2jpa h VAL 113 Cb 0.84 0.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.06 2jpa h VAL 113 CO 0.07 0.24 0.09 -0.09 -1.23 0.00 0.00 177.57 176.65 2jpa h ARG 114 N 1.14 0.40 -0.33 5.19 2.43 -0.33 -1.16 114.38 121.72 2jpa h ARG 114 Ca 0.30 -0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.44 2jpa h ARG 114 Cb -0.04 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.39 2jpa h ARG 114 CO -0.06 0.46 -0.03 1.25 -1.51 0.00 0.00 179.97 180.09 2jpa h HIS 115 N 0.26 -0.07 -0.83 2.20 2.76 -0.60 0.11 115.15 118.99 2jpa h HIS 115 Ca 0.08 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.34 2jpa h HIS 115 Cb 0.22 0.08 -0.05 0.00 1.55 0.00 0.00 27.41 29.21 2jpa h HIS 115 CO 0.00 -0.09 0.54 0.45 -1.30 0.00 0.00 177.93 177.54 2jpa h HIS 116 N 0.06 0.95 0.00 5.26 3.86 -0.76 -0.20 115.15 124.32 2jpa h HIS 116 Ca 0.16 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2jpa h HIS 116 Cb 0.22 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.38 2jpa h HIS 116 CO -0.26 0.51 0.00 -0.97 0.86 0.00 0.00 177.93 178.08 2jpa h ASN 117 N 0.95 0.00 -0.07 2.45 -0.00 0.47 -1.75 115.58 117.62 2jpa h ASN 117 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.65 2jpa h ASN 117 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.49 2jpa h ASN 117 CO -0.12 0.00 0.00 0.23 -0.00 0.00 0.00 177.43 177.54 2jpa n MET 118 N -2.74 1.54 0.00 6.67 2.81 -0.22 -5.08 117.12 120.10 2jpa n MET 118 Ca 0.01 -1.61 0.09 0.00 -1.81 0.00 0.00 57.70 54.38 2jpa n MET 118 Cb 0.25 -1.34 0.55 0.00 -0.71 0.00 0.00 33.22 31.98 2jpa n MET 118 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06