#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 1.18 0.00 0.02 -2.02 -0.97 113.55 111.76 2jpa h SER 2 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2jpa h SER 2 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2jpa h SER 2 CO 0.00 0.00 -0.17 -0.33 -1.14 0.00 0.00 176.83 175.19 2jpa h GLU 3 N 0.00 0.00 -2.00 3.45 3.07 -2.02 -3.31 114.58 113.77 2jpa h GLU 3 Ca 0.01 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.67 2jpa h GLU 3 Cb 0.04 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.88 2jpa h GLU 3 CO -0.00 0.17 -0.35 1.63 -1.40 0.00 0.00 179.01 179.07 2jpa n LYS 4 N -3.26 1.98 -3.38 2.33 5.02 -0.37 -4.60 118.16 115.88 2jpa n LYS 4 Ca 0.01 -1.01 -0.19 0.00 -2.02 0.00 0.00 58.31 55.10 2jpa n LYS 4 Cb 0.45 -1.97 -0.08 0.00 -0.02 0.00 0.00 35.03 33.41 2jpa n LYS 4 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2jpa s ARG 5 N 0.86 0.61 0.19 1.97 3.00 -1.25 -4.56 118.95 119.77 2jpa s ARG 5 Ca 0.64 -0.89 0.25 0.00 0.00 0.00 0.00 55.73 55.73 2jpa s ARG 5 Cb 0.31 -0.80 0.90 0.00 0.00 0.00 0.00 34.95 35.35 2jpa s ARG 5 CO -0.01 -1.19 1.76 -0.35 0.00 0.00 0.00 175.30 175.51 2jpa n PRO 6 N 4.27 0.20 -3.85 3.54 -0.04 -1.14 -4.53 135.00 133.45 2jpa n PRO 6 Ca 0.10 0.26 -0.27 0.00 -0.04 0.00 0.00 63.50 63.56 2jpa n PRO 6 Cb 0.44 -1.78 -0.03 0.00 -0.04 0.00 0.00 33.50 32.09 2jpa n PRO 6 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2jpa s PHE 7 N -3.15 3.48 0.08 0.54 0.08 -0.53 -4.97 117.98 113.51 2jpa s PHE 7 Ca 0.09 0.20 0.01 0.00 0.12 0.00 0.00 56.93 57.35 2jpa s PHE 7 Cb 0.12 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 2jpa s PHE 7 CO 0.51 0.46 -0.06 0.00 -0.10 0.00 0.00 175.22 176.03 2jpa s MET 8 N -3.28 0.75 0.37 0.44 0.23 -1.26 -0.28 119.30 116.27 2jpa s MET 8 Ca 0.36 -1.23 -0.26 0.00 -1.03 0.00 0.00 55.69 53.53 2jpa s MET 8 Cb -0.11 -0.14 -0.09 0.00 -1.53 0.00 0.00 34.83 32.96 2jpa s MET 8 CO 0.29 -0.03 1.08 0.00 -2.03 0.00 0.00 175.02 174.33 2jpa n ALA 10 N 0.29 2.85 -2.65 0.00 0.00 -1.26 -3.97 120.51 115.77 2jpa n ALA 10 Ca 0.03 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 2jpa n ALA 10 Cb 0.48 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.28 3.55 -0.73 0.00 5.04 -1.26 -4.92 117.35 116.75 2jpa s TYR 11 Ca 0.30 1.58 0.19 0.00 -2.44 0.00 0.00 57.07 56.71 2jpa s TYR 11 Cb 0.20 -3.20 0.81 0.00 0.35 0.00 0.00 41.96 40.12 2jpa s TYR 11 CO 0.44 -0.32 1.60 -0.35 -1.34 0.00 0.00 175.55 175.57 2jpa n PRO 12 N 4.40 0.10 -0.20 4.97 -0.04 -1.26 -0.89 135.00 142.08 2jpa n PRO 12 Ca 0.08 0.34 0.10 0.00 -0.04 0.00 0.00 63.50 63.97 2jpa n PRO 12 Cb 0.49 -1.70 0.26 0.00 -0.04 0.00 0.00 33.50 32.52 2jpa n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jpa n GLY 13 N 0.01 1.21 1.35 0.55 0.00 -1.26 -4.71 105.19 102.35 2jpa n GLY 13 Ca 0.03 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.17 -2.46 -4.37 0.00 6.94 -0.07 -4.94 115.26 108.18 2jpa n ASN 15 Ca 0.00 0.05 -0.30 0.00 -0.02 0.00 0.00 54.58 54.32 2jpa n ASN 15 Cb 0.00 -2.14 0.16 0.00 -2.36 0.00 0.00 39.78 35.44 2jpa n ASN 15 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2jpa s LYS 16 N -5.45 1.03 0.13 -3.83 1.02 -1.26 -4.62 119.74 106.76 2jpa s LYS 16 Ca 0.17 -0.23 0.08 0.00 0.02 0.00 0.00 55.97 56.00 2jpa s LYS 16 Cb -0.09 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 2jpa s LYS 16 CO 0.21 -2.18 -0.11 1.03 -0.92 0.00 0.00 175.35 173.38 2jpa s ARG 17 N -5.78 2.06 0.07 1.68 0.52 -1.26 -0.12 118.95 116.13 2jpa s ARG 17 Ca 0.70 -1.12 -0.01 0.00 -0.52 0.00 0.00 55.73 54.79 2jpa s ARG 17 Cb -0.06 -2.24 -0.04 0.00 0.52 0.00 0.00 34.95 33.13 2jpa s ARG 17 CO 0.52 0.48 -0.01 0.71 0.02 0.00 0.00 175.30 177.02 2jpa s TYR 18 N -1.35 0.63 -0.16 -0.53 1.51 0.62 -4.93 117.35 113.14 2jpa s TYR 18 Ca 0.22 -1.09 -0.04 0.00 -1.01 0.00 0.00 57.07 55.15 2jpa s TYR 18 Cb -0.10 -0.42 -0.09 0.00 -0.11 0.00 0.00 41.96 41.24 2jpa s TYR 18 CO 0.14 -0.39 -0.18 0.34 -1.11 0.00 0.00 175.55 174.35 2jpa n PHE 19 N 0.05 0.00 -3.24 2.71 7.35 -1.26 -1.46 117.46 121.61 2jpa n PHE 19 Ca -0.12 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.17 2jpa n PHE 19 Cb 0.62 -0.60 -0.08 0.00 0.35 0.00 0.00 39.48 39.76 2jpa n PHE 19 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2jpa s LYS 20 N -2.31 3.89 0.25 -4.13 1.02 -1.26 -4.74 119.74 112.46 2jpa s LYS 20 Ca -0.22 0.12 -0.07 0.00 0.02 0.00 0.00 55.97 55.82 2jpa s LYS 20 Cb 0.07 -3.71 0.46 0.00 -0.52 0.00 0.00 37.83 34.13 2jpa s LYS 20 CO 0.33 -0.47 1.62 1.25 -0.92 0.00 0.00 175.35 177.16 2jpa h LEU 21 N 8.92 -0.44 -0.21 3.17 5.85 -1.99 0.82 115.31 131.43 2jpa h LEU 21 Ca -0.29 0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 2jpa h LEU 21 Cb 1.13 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 2jpa h LEU 21 CO 0.74 -0.22 -0.07 -1.28 -0.34 0.00 0.00 178.44 177.27 2jpa h SER 22 N 0.07 0.43 0.11 1.25 0.87 -1.98 0.10 113.55 114.41 2jpa h SER 22 Ca 0.43 -0.39 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 2jpa h SER 22 Cb 0.77 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 2jpa h SER 22 CO -0.73 0.72 -0.13 1.12 -0.53 0.00 0.00 176.83 177.29 2jpa h HIS 23 N 0.14 0.05 -0.16 2.24 2.07 -1.66 0.23 115.15 118.06 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 0.55 -0.02 0.01 0.00 2.57 0.00 0.00 27.41 30.52 2jpa h HIS 23 CO 0.06 0.18 -0.76 1.25 -3.07 0.00 0.00 177.93 175.59 2jpa h LEU 24 N 0.05 0.91 -1.13 6.12 7.12 -0.75 -1.59 115.31 126.05 2jpa h LEU 24 Ca 0.01 -0.59 0.05 0.00 0.13 0.00 0.00 57.88 57.48 2jpa h LEU 24 Cb 0.26 -0.27 -0.06 0.00 -0.53 0.00 0.00 40.66 40.06 2jpa h LEU 24 CO 0.02 1.38 0.60 0.06 -0.13 0.00 0.00 178.44 180.37 2jpa h GLN 25 N 0.53 1.06 -0.31 1.25 3.07 0.10 0.23 115.11 121.04 2jpa h GLN 25 Ca -0.05 -0.06 -0.06 0.00 0.09 0.00 0.00 58.65 58.57 2jpa h GLN 25 Cb 1.38 -0.24 -0.01 0.00 0.08 0.00 0.00 27.48 28.69 2jpa h GLN 25 CO 0.15 0.70 -0.03 1.98 0.09 0.00 0.00 178.83 181.73 2jpa h MET 26 N 1.09 0.57 -1.00 0.06 4.05 -0.57 -2.82 114.93 116.31 2jpa h MET 26 Ca 0.38 -0.20 0.05 0.00 -0.28 0.00 0.00 59.70 59.65 2jpa h MET 26 Cb 0.10 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 30.80 2jpa h MET 26 CO -0.13 0.73 0.65 1.25 0.23 0.00 0.00 176.91 179.64 2jpa h HIS 27 N 0.36 1.21 -0.55 1.39 -0.00 -0.23 -0.89 115.15 116.44 2jpa h HIS 27 Ca 0.08 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.51 2jpa h HIS 27 Cb 0.49 -0.40 -0.03 0.00 -0.00 0.00 0.00 27.41 27.47 2jpa h HIS 27 CO 0.04 0.66 0.36 0.66 -0.00 0.00 0.00 177.93 179.66 2jpa h SER 28 N 1.22 0.57 -0.91 3.26 4.64 -0.38 -0.94 113.55 121.00 2jpa h SER 28 Ca 0.41 -0.01 0.10 0.00 -0.47 0.00 0.00 61.79 61.83 2jpa h SER 28 Cb 0.09 -0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 61.97 2jpa h SER 28 CO -0.15 0.40 0.58 0.08 -0.87 0.00 0.00 176.83 176.88 2jpa h ARG 29 N 0.67 0.86 -0.55 4.77 -0.00 -0.92 0.67 114.38 119.87 2jpa h ARG 29 Ca 0.21 -0.05 0.06 0.00 -0.00 0.00 0.00 59.98 60.20 2jpa h ARG 29 Cb 0.03 -0.19 -0.05 0.00 -0.00 0.00 0.00 29.97 29.76 2jpa h ARG 29 CO -0.05 0.57 0.26 -0.22 -0.00 0.00 0.00 179.97 180.53 2jpa h LYS 30 N 0.88 0.49 0.00 0.08 3.11 -1.19 -2.83 116.57 117.11 2jpa h LYS 30 Ca 0.43 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 58.22 2jpa h LYS 30 Cb 0.45 -0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 31.57 2jpa h LYS 30 CO -0.19 0.32 -0.10 0.45 -2.81 0.00 0.00 179.45 177.12 2jpa h HIS 31 N 0.50 0.00 -0.94 1.91 3.86 -0.92 -3.00 115.15 116.57 2jpa h HIS 31 Ca 0.25 0.00 0.24 0.00 -1.16 0.00 0.00 60.37 59.70 2jpa h HIS 31 Cb 0.20 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.61 2jpa h HIS 31 CO -0.11 0.10 0.63 1.79 0.86 0.00 0.00 177.93 181.20 2jpa h THR 32 N 0.00 0.60 -0.88 2.45 1.35 -1.14 0.15 112.91 115.44 2jpa h THR 32 Ca -0.00 -0.09 -0.47 0.00 -0.55 0.00 0.00 66.41 65.29 2jpa h THR 32 Cb 0.88 0.31 -0.27 0.00 -1.73 0.00 0.00 68.15 67.33 2jpa h THR 32 CO 0.01 0.05 0.52 0.61 -0.25 0.00 0.00 175.52 176.46 2jpa n GLY 33 N -1.58 4.74 0.17 5.82 0.00 -1.13 -4.28 105.19 108.93 2jpa n GLY 33 Ca 0.20 -1.26 0.05 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.12 1.08 -3.18 1.61 -0.58 0.51 -4.81 120.64 114.16 2jpa n GLU 34 Ca 0.55 -1.90 -0.44 0.00 -0.42 0.00 0.00 57.16 54.96 2jpa n GLU 34 Cb 1.45 -1.11 -0.07 0.00 -0.57 0.00 0.00 31.44 31.15 2jpa n GLU 34 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2jpa s LYS 35 N -1.70 3.14 -1.19 3.49 2.36 -0.88 -5.00 119.74 119.96 2jpa s LYS 35 Ca 0.17 -0.81 -0.21 0.00 -2.55 0.00 0.00 55.97 52.57 2jpa s LYS 35 Cb 0.15 -4.06 -0.03 0.00 -1.05 0.00 0.00 37.83 32.85 2jpa s LYS 35 CO 0.02 -1.14 1.85 -1.25 1.55 0.00 0.00 175.35 176.37 2jpa s PRO 36 N 2.57 3.04 0.65 4.03 0.04 -1.26 -3.83 135.00 140.25 2jpa s PRO 36 Ca 0.16 -1.36 -0.11 0.00 0.04 0.00 0.00 61.00 59.72 2jpa s PRO 36 Cb -0.18 -5.33 -0.02 0.00 0.04 0.00 0.00 34.50 29.01 2jpa s PRO 36 CO 0.13 -3.29 1.04 0.71 0.04 0.00 0.00 177.00 175.64 2jpa s TYR 37 N 8.44 3.35 0.06 0.56 2.02 -0.02 -4.86 117.35 126.90 2jpa s TYR 37 Ca 0.63 1.36 0.04 0.00 -0.37 0.00 0.00 57.07 58.73 2jpa s TYR 37 Cb 0.00 -2.81 -0.03 0.00 -0.40 0.00 0.00 41.96 38.73 2jpa s TYR 37 CO 0.09 -0.96 -0.12 -0.65 -1.57 0.00 0.00 175.55 172.34 2jpa s GLN 38 N -5.05 0.71 0.35 -0.62 1.11 -1.26 -0.64 119.66 114.25 2jpa s GLN 38 Ca 0.57 -0.89 -0.29 0.00 0.01 0.00 0.00 55.36 54.77 2jpa s GLN 38 Cb -0.13 -0.63 -0.12 0.00 -1.01 0.00 0.00 33.01 31.13 2jpa s GLN 38 CO 0.53 0.13 1.47 0.00 0.01 0.00 0.00 175.29 177.44 2jpa n ASP 40 N 0.96 3.61 -4.78 0.00 2.03 -1.26 -4.75 116.55 112.36 2jpa n ASP 40 Ca 0.04 -1.99 -0.31 0.00 0.52 0.00 0.00 54.79 53.05 2jpa n ASP 40 Cb 0.37 -0.41 0.08 0.00 -0.72 0.00 0.00 41.12 40.45 2jpa n ASP 40 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2jpa s PHE 41 N -1.19 2.68 0.27 -0.67 5.36 -1.26 -4.96 117.98 118.21 2jpa s PHE 41 Ca 0.44 1.53 -0.02 0.00 -0.96 0.00 0.00 56.93 57.93 2jpa s PHE 41 Cb 0.24 -3.03 0.37 0.00 -0.34 0.00 0.00 43.02 40.26 2jpa s PHE 41 CO 0.32 -1.68 1.81 -0.22 -1.46 0.00 0.00 175.22 173.99 2jpa h LYS 42 N -0.93 0.85 -2.15 10.12 1.63 -2.02 -3.31 116.57 120.76 2jpa h LYS 42 Ca -0.44 -0.18 -0.55 0.00 -0.85 0.00 0.00 60.65 58.63 2jpa h LYS 42 Cb 1.23 -0.12 -0.41 0.00 -0.60 0.00 0.00 32.23 32.32 2jpa h LYS 42 CO 0.53 0.77 -0.86 -0.25 -3.45 0.00 0.00 179.45 176.18 2jpa n ASP 43 N -4.27 2.74 -3.91 4.20 8.00 -1.26 -5.07 116.55 116.99 2jpa n ASP 43 Ca 0.04 -3.33 -0.11 0.00 0.71 0.00 0.00 54.79 52.10 2jpa n ASP 43 Cb 0.24 -0.60 -0.06 0.00 -0.02 0.00 0.00 41.12 40.67 2jpa n ASP 43 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jpa n GLU 45 N -0.39 0.00 -2.61 0.00 -0.00 -1.26 -4.88 120.64 111.49 2jpa n GLU 45 Ca 0.00 -0.09 -0.37 0.00 -0.00 0.00 0.00 57.16 56.70 2jpa n GLU 45 Cb 0.63 -0.06 -0.05 0.00 -0.00 0.00 0.00 31.44 31.96 2jpa n GLU 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2jpa s ARG 46 N 0.00 4.28 0.11 3.44 0.52 -1.26 -4.78 118.95 121.26 2jpa s ARG 46 Ca 0.00 1.46 0.09 0.00 -0.52 0.00 0.00 55.73 56.76 2jpa s ARG 46 Cb 0.00 -2.61 -0.04 0.00 0.52 0.00 0.00 34.95 32.83 2jpa s ARG 46 CO 0.00 -0.02 -0.19 1.03 0.02 0.00 0.00 175.30 176.14 2jpa s ARG 47 N -2.39 1.79 0.22 3.54 0.52 -1.26 -0.20 118.95 121.16 2jpa s ARG 47 Ca 0.56 -1.17 0.04 0.00 -0.52 0.00 0.00 55.73 54.64 2jpa s ARG 47 Cb -0.21 -2.10 -0.05 0.00 0.52 0.00 0.00 34.95 33.11 2jpa s ARG 47 CO 0.26 0.49 -0.02 -0.06 0.02 0.00 0.00 175.30 175.99 2jpa s PHE 48 N -1.10 1.53 -0.83 -0.53 0.08 0.18 -4.97 117.98 112.35 2jpa s PHE 48 Ca 0.17 -0.89 0.17 0.00 0.12 0.00 0.00 56.93 56.51 2jpa s PHE 48 Cb -0.10 -0.87 -0.18 0.00 -0.57 0.00 0.00 43.02 41.29 2jpa s PHE 48 CO 0.09 -0.01 0.74 -1.13 -0.10 0.00 0.00 175.22 174.81 2jpa n SER 49 N -0.39 0.83 -4.07 1.36 3.41 -1.25 -0.84 113.62 112.67 2jpa n SER 49 Ca -0.06 -0.92 -0.09 0.00 -0.26 0.00 0.00 58.87 57.55 2jpa n SER 49 Cb 0.63 0.99 -0.10 0.00 -0.26 0.00 0.00 64.21 65.47 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 -2.62 0.55 0.25 4.33 0.52 -1.25 -2.07 118.95 118.66 2jpa s ARG 50 Ca 0.07 -1.01 -0.06 0.00 -0.52 0.00 0.00 55.73 54.21 2jpa s ARG 50 Cb 0.13 0.06 0.29 0.00 0.52 0.00 0.00 34.95 35.95 2jpa s ARG 50 CO 0.71 -0.06 1.90 0.77 0.02 0.00 0.00 175.30 178.64 2jpa h SER 51 N 3.70 1.06 0.07 0.23 0.02 -1.88 -1.73 113.55 115.03 2jpa h SER 51 Ca -0.34 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.47 2jpa h SER 51 Cb 1.17 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 2jpa h SER 51 CO 0.56 0.74 -0.41 -2.24 -1.14 0.00 0.00 176.83 174.34 2jpa h ASP 52 N 1.24 0.46 -0.24 3.07 3.04 -1.97 0.22 116.42 122.23 2jpa h ASP 52 Ca 0.37 -0.20 -0.03 0.00 -3.24 0.00 0.00 57.03 53.94 2jpa h ASP 52 Cb -0.05 -0.13 -0.01 0.00 -1.04 0.00 0.00 39.33 38.10 2jpa h ASP 52 CO -0.11 0.82 0.05 1.56 -2.04 0.00 0.00 179.24 179.52 2jpa h GLN 53 N 0.36 0.39 -0.31 4.15 4.20 -1.85 0.19 115.11 122.25 2jpa h GLN 53 Ca 0.03 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2jpa h GLN 53 Cb 0.87 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2jpa h GLN 53 CO 0.07 0.51 0.15 1.25 -0.67 0.00 0.00 178.83 180.14 2jpa h LEU 54 N 0.21 0.39 -0.78 1.46 5.85 -1.18 0.15 115.31 121.41 2jpa h LEU 54 Ca 0.07 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.71 2jpa h LEU 54 Cb 0.30 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 2jpa h LEU 54 CO 0.00 0.40 0.50 0.11 -0.34 0.00 0.00 178.44 179.11 2jpa h LYS 55 N 0.36 0.94 -0.24 1.25 1.57 -0.40 0.28 116.57 120.34 2jpa h LYS 55 Ca 0.11 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2jpa h LYS 55 Cb 0.10 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2jpa h LYS 55 CO -0.01 0.62 0.14 -0.09 -0.57 0.00 0.00 179.45 179.54 2jpa h ARG 56 N 0.97 0.32 -0.46 3.15 2.43 -0.45 -2.12 114.38 118.23 2jpa h ARG 56 Ca 0.31 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2jpa h ARG 56 Cb 0.02 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2jpa h ARG 56 CO -0.11 0.27 0.28 1.25 -1.51 0.00 0.00 179.97 180.15 2jpa h HIS 57 N 0.29 0.59 -0.95 2.20 2.76 -0.09 -0.25 115.15 119.70 2jpa h HIS 57 Ca 0.08 0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.41 2jpa h HIS 57 Cb 0.03 -0.20 -0.08 0.00 1.55 0.00 0.00 27.41 28.71 2jpa h HIS 57 CO -0.04 0.41 0.60 1.96 -1.30 0.00 0.00 177.93 179.55 2jpa h GLN 58 N 0.61 0.74 -0.55 5.26 1.08 -0.39 -0.13 115.11 121.74 2jpa h GLN 58 Ca 0.16 -0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.41 2jpa h GLN 58 Cb -0.02 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.21 2jpa h GLN 58 CO -0.03 0.49 0.37 -0.09 -0.95 0.00 0.00 178.83 178.62 2jpa h ARG 59 N 0.77 0.37 -0.53 1.46 9.65 -0.33 0.17 114.38 125.93 2jpa h ARG 59 Ca 0.49 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 59.30 2jpa h ARG 59 Cb 0.73 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.20 2jpa h ARG 59 CO -0.25 0.24 0.14 -0.09 2.80 0.00 0.00 179.97 182.81 2jpa h ARG 60 N 0.38 0.80 0.07 0.20 2.43 -0.89 0.14 114.38 117.51 2jpa h ARG 60 Ca 0.25 -0.15 -0.28 0.00 -0.81 0.00 0.00 59.98 58.99 2jpa h ARG 60 Cb 0.49 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2jpa h ARG 60 CO -0.06 0.71 -1.43 0.45 -1.51 0.00 0.00 179.97 178.13 2jpa h HIS 61 N 0.77 0.27 0.00 2.20 3.86 -0.97 -3.35 115.15 117.92 2jpa h HIS 61 Ca 0.17 -0.19 -0.11 0.00 -1.16 0.00 0.00 60.37 59.08 2jpa h HIS 61 Cb 0.26 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 2jpa h HIS 61 CO 0.01 1.22 -1.09 1.79 0.86 0.00 0.00 177.93 180.72 2jpa h THR 62 N 0.04 0.40 0.00 2.45 1.35 -0.71 -3.48 112.91 112.96 2jpa h THR 62 Ca -0.19 -1.72 0.00 0.00 -0.55 0.00 0.00 66.41 63.95 2jpa h THR 62 Cb 1.95 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 70.33 2jpa h THR 62 CO 0.14 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 2jpa n GLY 63 N 1.30 0.37 0.18 5.82 0.00 0.49 -4.90 105.19 108.45 2jpa n GLY 63 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 2jpa n GLY 63 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2jpa h VAL 64 N 0.00 0.58 -6.07 1.61 2.07 -1.93 -3.47 116.25 109.03 2jpa h VAL 64 Ca 0.00 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.22 2jpa h VAL 64 Cb 0.31 0.58 0.04 0.00 -1.52 0.00 0.00 31.29 30.70 2jpa h VAL 64 CO 0.00 0.00 -0.68 0.29 0.02 0.00 0.00 177.57 177.20 2jpa n LYS 65 N -5.31 -1.37 0.25 1.57 5.02 -1.26 -4.89 118.16 112.17 2jpa n LYS 65 Ca 0.01 0.89 0.16 0.00 -2.02 0.00 0.00 58.31 57.34 2jpa n LYS 65 Cb 0.22 -4.18 0.53 0.00 -0.02 0.00 0.00 35.03 31.58 2jpa n LYS 65 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2jpa h PRO 66 N -0.65 0.00 -5.94 1.97 0.13 -1.84 -3.34 132.00 122.33 2jpa h PRO 66 Ca -0.44 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.08 2jpa h PRO 66 Cb 1.25 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.27 2jpa h PRO 66 CO 0.39 0.00 1.30 -0.06 -0.23 0.00 0.00 178.00 179.40 2jpa s PHE 67 N -3.52 2.60 -0.03 1.56 0.08 -0.34 -4.92 117.98 113.41 2jpa s PHE 67 Ca 0.03 -0.81 -0.17 0.00 0.12 0.00 0.00 56.93 56.10 2jpa s PHE 67 Cb 0.08 -4.61 -0.05 0.00 -0.57 0.00 0.00 43.02 37.87 2jpa s PHE 67 CO 0.57 -1.87 0.47 -1.14 -0.10 0.00 0.00 175.22 173.14 2jpa s GLN 68 N 4.67 4.14 0.26 0.44 0.74 -1.26 -0.40 119.66 128.26 2jpa s GLN 68 Ca 0.41 0.49 -0.30 0.00 0.05 0.00 0.00 55.36 56.01 2jpa s GLN 68 Cb -0.02 -3.31 -0.10 0.00 1.10 0.00 0.00 33.01 30.67 2jpa s GLN 68 CO -0.06 0.47 1.46 0.00 -0.55 0.00 0.00 175.29 176.60 2jpa h LYS 70 N 4.90 0.00 0.00 0.00 -0.00 -1.96 -2.73 116.57 116.78 2jpa h LYS 70 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.19 2jpa h LYS 70 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.45 2jpa h LYS 70 CO 0.77 0.00 0.00 2.41 -0.00 0.00 0.00 179.45 182.63 2jpa n THR 71 N -3.04 0.00 1.33 0.07 -1.04 -1.26 -4.71 114.28 105.63 2jpa n THR 71 Ca -0.01 0.17 0.14 0.00 -2.04 0.00 0.00 64.05 62.31 2jpa n THR 71 Cb 0.22 -1.13 0.52 0.00 -1.82 0.00 0.00 70.33 68.12 2jpa n THR 71 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jpa n GLN 73 N -0.86 -0.97 -1.89 0.00 1.13 -1.03 -4.98 117.38 108.78 2jpa n GLN 73 Ca 0.13 0.95 -0.41 0.00 -1.94 0.00 0.00 57.00 55.74 2jpa n GLN 73 Cb 0.31 -5.03 -0.00 0.00 0.11 0.00 0.00 30.24 25.63 2jpa n GLN 73 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2jpa s ARG 74 N -3.07 4.11 -0.15 -1.09 1.81 -1.26 -4.50 118.95 114.80 2jpa s ARG 74 Ca 0.00 2.45 -0.05 0.00 -1.72 0.00 0.00 55.73 56.40 2jpa s ARG 74 Cb 0.00 -2.94 -0.04 0.00 -0.45 0.00 0.00 34.95 31.52 2jpa s ARG 74 CO 0.00 -0.49 0.03 0.15 -0.68 0.00 0.00 175.30 174.31 2jpa s LYS 75 N -2.08 3.67 0.14 3.54 -0.14 -1.26 -0.00 119.74 123.61 2jpa s LYS 75 Ca 0.53 -0.39 0.06 0.00 -1.36 0.00 0.00 55.97 54.82 2jpa s LYS 75 Cb -0.44 -3.05 -0.04 0.00 -1.68 0.00 0.00 37.83 32.62 2jpa s LYS 75 CO 0.59 0.38 -0.14 -0.06 -0.76 0.00 0.00 175.35 175.37 2jpa s PHE 76 N 0.03 1.47 -2.84 3.18 0.08 0.47 -4.97 117.98 115.40 2jpa s PHE 76 Ca 0.04 -0.58 0.24 0.00 0.12 0.00 0.00 56.93 56.75 2jpa s PHE 76 Cb -0.13 -0.75 0.16 0.00 -0.57 0.00 0.00 43.02 41.73 2jpa s PHE 76 CO 0.01 0.19 1.23 0.43 -0.10 0.00 0.00 175.22 176.98 2jpa n SER 77 N 0.27 2.84 -3.85 1.36 7.64 -1.26 -1.20 113.62 119.41 2jpa n SER 77 Ca -0.13 -1.92 -0.14 0.00 1.01 0.00 0.00 58.87 57.68 2jpa n SER 77 Cb 0.58 0.08 -0.15 0.00 -1.01 0.00 0.00 64.21 63.71 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 -2.08 0.13 0.39 1.43 0.52 -1.26 -4.87 118.95 113.21 2jpa s ARG 78 Ca 0.26 0.02 0.09 0.00 -0.52 0.00 0.00 55.73 55.59 2jpa s ARG 78 Cb 0.20 -0.23 0.79 0.00 0.52 0.00 0.00 34.95 36.22 2jpa s ARG 78 CO 0.35 -0.04 1.92 0.66 0.02 0.00 0.00 175.30 178.20 2jpa h SER 79 N 6.60 0.23 -0.04 0.23 4.64 -1.97 -1.43 113.55 121.81 2jpa h SER 79 Ca -0.33 -0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 60.83 2jpa h SER 79 Cb 1.17 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 2jpa h SER 79 CO 0.50 0.38 -0.31 -2.24 -0.87 0.00 0.00 176.83 174.29 2jpa h ASP 80 N 0.23 0.51 -0.35 4.97 3.04 -1.98 0.21 116.42 123.05 2jpa h ASP 80 Ca 0.05 -0.19 -0.15 0.00 -3.24 0.00 0.00 57.03 53.50 2jpa h ASP 80 Cb 0.37 -0.14 -0.01 0.00 -1.04 0.00 0.00 39.33 38.51 2jpa h ASP 80 CO 0.02 0.80 -0.35 0.45 -2.04 0.00 0.00 179.24 178.12 2jpa h HIS 81 N 0.43 1.04 -0.31 4.15 3.86 -1.86 -0.86 115.15 121.60 2jpa h HIS 81 Ca 0.05 -0.31 -0.06 0.00 -1.16 0.00 0.00 60.37 58.90 2jpa h HIS 81 Cb 0.76 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 2jpa h HIS 81 CO 0.03 1.12 -0.02 1.25 0.86 0.00 0.00 177.93 181.16 2jpa h LEU 82 N 0.66 0.56 -1.23 2.43 6.46 -0.96 0.32 115.31 123.56 2jpa h LEU 82 Ca 0.06 -0.33 -0.02 0.00 -0.12 0.00 0.00 57.88 57.47 2jpa h LEU 82 Cb 0.94 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.70 2jpa h LEU 82 CO 0.09 0.75 0.25 0.11 -0.62 0.00 0.00 178.44 179.02 2jpa h LYS 83 N 0.36 0.78 -0.02 1.25 1.79 -0.62 0.35 116.57 120.45 2jpa h LYS 83 Ca 0.09 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 2jpa h LYS 83 Cb 0.48 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2jpa h LYS 83 CO 0.02 0.62 -0.01 1.15 -1.08 0.00 0.00 179.45 180.15 2jpa h THR 84 N 0.78 1.33 -0.01 -0.16 2.02 -0.86 -3.11 112.91 112.90 2jpa h THR 84 Ca 0.19 -0.99 -0.05 0.00 0.77 0.00 0.00 66.41 66.33 2jpa h THR 84 Cb 0.11 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 2jpa h THR 84 CO -0.02 0.26 -0.23 -0.74 0.37 0.00 0.00 175.52 175.16 2jpa h HIS 85 N -0.35 0.01 -0.95 3.16 -0.00 -0.13 -1.70 115.15 115.19 2jpa h HIS 85 Ca 0.01 -0.00 0.12 0.00 -0.00 0.00 0.00 60.37 60.50 2jpa h HIS 85 Cb 0.43 -0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 27.75 2jpa h HIS 85 CO 0.07 0.24 0.58 1.15 -0.00 0.00 0.00 177.93 179.96 2jpa h THR 86 N 0.01 0.88 0.00 6.26 2.02 -0.24 -0.04 112.91 121.80 2jpa h THR 86 Ca 0.00 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 2jpa h THR 86 Cb 0.41 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 2jpa h THR 86 CO 0.03 0.16 -0.03 0.03 0.37 0.00 0.00 175.52 176.08 2jpa h ARG 87 N 0.90 0.00 -0.75 6.66 3.08 -1.29 -0.01 114.38 122.97 2jpa h ARG 87 Ca 0.48 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.57 2jpa h ARG 87 Cb 0.51 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.51 2jpa h ARG 87 CO -0.28 0.03 0.47 1.15 -1.07 0.00 0.00 179.97 180.27 2jpa h THR 88 N 0.00 1.07 0.00 2.04 2.02 -1.10 0.12 112.91 117.06 2jpa h THR 88 Ca -0.00 -0.31 -0.11 0.00 0.77 0.00 0.00 66.41 66.76 2jpa h THR 88 Cb 0.12 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 2jpa h THR 88 CO 0.00 0.16 -1.02 0.45 0.37 0.00 0.00 175.52 175.49 2jpa h HIS 89 N 0.89 0.00 -0.01 3.16 3.86 -1.20 -3.35 115.15 118.50 2jpa h HIS 89 Ca 0.31 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 2jpa h HIS 89 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 2jpa h HIS 89 CO -0.04 0.43 -0.36 2.41 0.86 0.00 0.00 177.93 181.23 2jpa n THR 90 N -2.96 0.00 -1.71 2.45 -1.04 -0.18 -4.94 114.28 105.90 2jpa n THR 90 Ca -0.04 -0.11 -0.21 0.00 -2.04 0.00 0.00 64.05 61.65 2jpa n THR 90 Cb 0.75 0.49 -0.08 0.00 -1.82 0.00 0.00 70.33 69.67 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 1.63 3.55 3.41 0.00 -0.01 -4.93 105.19 110.24 2jpa n GLY 91 Ca 0.10 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.94 3.47 -0.51 1.61 2.12 -1.10 -4.97 118.70 115.38 2jpa s GLU 92 Ca 0.00 0.04 0.03 0.00 0.36 0.00 0.00 54.97 55.40 2jpa s GLU 92 Cb 0.00 -3.97 0.15 0.00 0.26 0.00 0.00 34.13 30.57 2jpa s GLU 92 CO 0.00 -1.32 0.33 0.15 -0.54 0.00 0.00 175.26 173.88 2jpa s LYS 93 N 3.86 1.56 0.25 4.30 3.01 -1.26 -4.32 119.74 127.14 2jpa s LYS 93 Ca 0.35 -2.41 0.23 0.00 -1.01 0.00 0.00 55.97 53.13 2jpa s LYS 93 Cb -0.11 -2.51 0.25 0.00 -1.01 0.00 0.00 37.83 34.45 2jpa s LYS 93 CO 0.24 -1.23 1.33 -1.00 0.51 0.00 0.00 175.35 175.20 2jpa h PRO 94 N 6.16 0.00 -5.44 -1.68 0.13 -1.80 -3.40 132.00 125.97 2jpa h PRO 94 Ca 0.08 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.51 2jpa h PRO 94 Cb 0.88 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.89 2jpa h PRO 94 CO 0.54 0.00 1.91 1.19 -0.23 0.00 0.00 178.00 181.41 2jpa n PHE 95 N -2.62 4.77 -2.73 1.56 3.72 -0.22 -4.89 117.46 117.04 2jpa n PHE 95 Ca 0.02 -3.03 -0.36 0.00 -0.05 0.00 0.00 57.45 54.04 2jpa n PHE 95 Cb 0.51 -2.48 -0.06 0.00 -0.94 0.00 0.00 39.48 36.51 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 3.70 7.10 0.79 4.37 0.15 -1.26 -0.78 113.70 127.78 2jpa s SER 96 Ca 0.50 1.85 -0.11 0.00 0.70 0.00 0.00 55.95 58.89 2jpa s SER 96 Cb 0.02 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.82 2jpa s SER 96 CO 0.05 -0.24 1.09 0.00 1.20 0.00 0.00 173.24 175.34 2jpa n ARG 98 N -3.56 -0.29 -1.83 0.00 5.12 -1.26 -4.83 116.66 110.01 2jpa n ARG 98 Ca 0.08 -0.54 -0.38 0.00 -1.93 0.00 0.00 57.85 55.08 2jpa n ARG 98 Cb 0.54 -0.90 0.04 0.00 -1.16 0.00 0.00 32.46 30.98 2jpa n ARG 98 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2jpa s TRP 99 N -0.13 2.31 -0.29 -1.55 0.52 -1.26 -4.86 118.94 113.67 2jpa s TRP 99 Ca 0.00 1.41 0.00 0.00 0.02 0.00 0.00 56.10 57.53 2jpa s TRP 99 Cb 0.00 -3.73 0.00 0.00 -1.15 0.00 0.00 33.47 28.59 2jpa s TRP 99 CO 0.00 -2.75 0.62 -0.35 0.02 0.00 0.00 176.95 174.49 2jpa n PRO 100 N -1.16 0.73 -1.79 4.98 -0.04 -1.26 -2.57 135.00 133.90 2jpa n PRO 100 Ca 0.11 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.54 2jpa n PRO 100 Cb 0.46 -1.20 0.04 0.00 -0.04 0.00 0.00 33.50 32.75 2jpa n PRO 100 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2jpa n SER 101 N 0.49 -0.99 -4.26 3.54 7.64 -1.26 -5.16 113.62 113.63 2jpa n SER 101 Ca 0.00 -1.78 -0.14 0.00 1.01 0.00 0.00 58.87 57.96 2jpa n SER 101 Cb 0.31 0.41 -0.10 0.00 -1.01 0.00 0.00 64.21 63.82 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 -0.34 0.00 -3.52 0.00 -0.00 -1.26 -4.88 117.38 107.37 2jpa n GLN 103 Ca -0.01 -0.39 -0.33 0.00 -0.00 0.00 0.00 57.00 56.27 2jpa n GLN 103 Cb 0.65 0.21 -0.05 0.00 -0.00 0.00 0.00 30.24 31.05 2jpa n GLN 103 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2jpa s LYS 104 N 0.00 3.76 0.11 2.61 3.01 -1.26 -4.93 119.74 123.03 2jpa s LYS 104 Ca 0.00 0.17 0.06 0.00 -1.01 0.00 0.00 55.97 55.19 2jpa s LYS 104 Cb 0.00 -2.82 -0.04 0.00 -1.01 0.00 0.00 37.83 33.97 2jpa s LYS 104 CO 0.00 0.43 -0.16 0.15 0.51 0.00 0.00 175.35 176.29 2jpa s LYS 105 N -2.47 1.01 0.15 1.68 1.02 -1.26 -0.70 119.74 119.17 2jpa s LYS 105 Ca 0.41 -1.16 0.05 0.00 0.02 0.00 0.00 55.97 55.28 2jpa s LYS 105 Cb -0.12 -1.01 -0.04 0.00 -0.52 0.00 0.00 37.83 36.13 2jpa s LYS 105 CO 0.21 0.21 -0.11 -0.06 -0.92 0.00 0.00 175.35 174.69 2jpa s PHE 106 N -1.72 1.28 -1.78 3.18 0.08 0.04 -4.94 117.98 114.12 2jpa s PHE 106 Ca 0.06 -0.74 0.25 0.00 0.12 0.00 0.00 56.93 56.63 2jpa s PHE 106 Cb -0.07 -0.65 0.52 0.00 -0.57 0.00 0.00 43.02 42.25 2jpa s PHE 106 CO 0.03 0.10 1.42 0.00 -0.10 0.00 0.00 175.22 176.67 2jpa n ALA 107 N -0.14 3.27 -2.79 5.36 0.00 -1.26 -1.06 120.51 123.88 2jpa n ALA 107 Ca -0.11 -0.47 -0.15 0.00 0.00 0.00 0.00 53.44 52.71 2jpa n ALA 107 Cb 0.60 -1.03 -0.13 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.53 0.50 0.14 0.00 0.52 -1.26 -4.84 118.95 111.48 2jpa s ARG 108 Ca 0.22 -0.46 -0.18 0.00 -0.52 0.00 0.00 55.73 54.79 2jpa s ARG 108 Cb 0.19 -0.39 -0.01 0.00 0.52 0.00 0.00 34.95 35.26 2jpa s ARG 108 CO 0.55 0.09 1.76 0.66 0.02 0.00 0.00 175.30 178.38 2jpa h SER 109 N 5.32 0.15 -0.15 0.23 4.64 -1.96 -1.90 113.55 119.88 2jpa h SER 109 Ca -0.32 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 60.97 2jpa h SER 109 Cb 1.20 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 2jpa h SER 109 CO 0.46 0.12 -0.04 -2.24 -0.87 0.00 0.00 176.83 174.26 2jpa h ASP 110 N 0.25 0.41 -0.60 4.97 2.03 -1.98 0.13 116.42 121.63 2jpa h ASP 110 Ca 0.12 -0.08 -0.00 0.00 -0.73 0.00 0.00 57.03 56.33 2jpa h ASP 110 Cb 0.06 -0.11 -0.03 0.00 -0.83 0.00 0.00 39.33 38.42 2jpa h ASP 110 CO -0.10 0.51 0.37 -0.33 -1.03 0.00 0.00 179.24 178.66 2jpa h GLU 111 N 0.42 0.81 -0.63 4.15 5.08 -1.87 0.13 114.58 122.67 2jpa h GLU 111 Ca 0.09 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 2jpa h GLU 111 Cb 0.35 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2jpa h GLU 111 CO 0.01 0.58 0.04 1.25 -1.00 0.00 0.00 179.01 179.89 2jpa h LEU 112 N 0.81 1.06 -0.47 1.33 5.85 -0.54 0.28 115.31 123.63 2jpa h LEU 112 Ca 0.22 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.68 2jpa h LEU 112 Cb -0.03 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 2jpa h LEU 112 CO -0.04 1.08 0.26 0.58 -0.34 0.00 0.00 178.44 179.98 2jpa h VAL 113 N 1.00 1.01 -0.31 1.05 2.07 -0.35 -0.35 116.25 120.38 2jpa h VAL 113 Ca 0.19 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2jpa h VAL 113 Cb 0.51 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2jpa h VAL 113 CO 0.02 0.09 0.17 -0.09 0.02 0.00 0.00 177.57 177.78 2jpa h ARG 114 N 0.52 0.44 -0.28 1.57 2.43 -0.51 -1.83 114.38 116.71 2jpa h ARG 114 Ca 0.19 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.37 2jpa h ARG 114 Cb 0.06 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 2jpa h ARG 114 CO -0.11 0.38 -0.07 1.25 -1.51 0.00 0.00 179.97 179.91 2jpa h HIS 115 N 0.38 -0.16 -0.91 2.20 2.76 -0.41 0.98 115.15 119.99 2jpa h HIS 115 Ca 0.11 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.38 2jpa h HIS 115 Cb 0.07 0.11 -0.06 0.00 1.55 0.00 0.00 27.41 29.08 2jpa h HIS 115 CO -0.03 -0.12 0.59 0.45 -1.30 0.00 0.00 177.93 177.52 2jpa h HIS 116 N -0.00 1.03 0.00 5.26 3.86 -0.95 0.10 115.15 124.44 2jpa h HIS 116 Ca 0.14 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2jpa h HIS 116 Cb 0.21 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.35 2jpa h HIS 116 CO -0.28 0.50 0.00 -0.97 0.86 0.00 0.00 177.93 178.05 2jpa h ASN 117 N 0.98 0.00 -0.20 2.45 -0.00 0.02 -1.81 115.58 117.01 2jpa h ASN 117 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.71 2jpa h ASN 117 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.61 2jpa h ASN 117 CO -0.17 0.00 0.00 0.23 -0.00 0.00 0.00 177.43 177.49 2jpa n MET 118 N -2.72 1.80 0.00 6.67 2.81 -0.13 -5.09 117.12 120.47 2jpa n MET 118 Ca 0.01 -1.75 0.11 0.00 -1.81 0.00 0.00 57.70 54.26 2jpa n MET 118 Cb 0.26 -1.32 0.62 0.00 -0.71 0.00 0.00 33.22 32.07 2jpa n MET 118 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06