#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 0.78 0.00 0.02 -2.02 -0.60 113.55 111.74 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 0.02 -0.12 -1.84 -1.14 0.00 0.00 176.83 173.75 2jpa n GLU 3 N -3.71 0.11 -0.02 3.45 0.00 -1.26 -3.79 120.64 115.42 2jpa n GLU 3 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.11 2jpa n GLU 3 Cb 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.06 2jpa n GLU 3 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 2jpa n LYS 4 N -1.42 1.35 -1.05 3.44 -0.00 -0.35 -3.68 118.16 116.45 2jpa n LYS 4 Ca 0.08 -1.01 -0.30 0.00 -0.00 0.00 0.00 58.31 57.08 2jpa n LYS 4 Cb 0.32 -0.75 0.13 0.00 -0.00 0.00 0.00 35.03 34.74 2jpa n LYS 4 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2jpa s ARG 5 N -0.51 1.44 -0.00 -1.58 1.70 -0.50 -4.91 118.95 114.58 2jpa s ARG 5 Ca 0.01 1.15 -0.30 0.00 -0.47 0.00 0.00 55.73 56.12 2jpa s ARG 5 Cb 0.01 -1.80 -0.06 0.00 -0.57 0.00 0.00 34.95 32.52 2jpa s ARG 5 CO 0.00 -2.21 1.48 -1.25 -1.08 0.00 0.00 175.30 172.24 2jpa s PRO 6 N -4.81 4.25 0.28 3.89 0.04 -1.26 -4.62 135.00 132.76 2jpa s PRO 6 Ca 0.64 2.06 0.09 0.00 0.04 0.00 0.00 61.00 63.82 2jpa s PRO 6 Cb -0.19 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 2jpa s PRO 6 CO 0.57 -0.66 0.05 -0.06 0.04 0.00 0.00 177.00 176.95 2jpa s PHE 7 N 2.76 2.77 0.08 0.56 0.40 -0.46 -4.97 117.98 119.11 2jpa s PHE 7 Ca 0.67 -0.23 0.02 0.00 -0.60 0.00 0.00 56.93 56.78 2jpa s PHE 7 Cb -0.33 -1.30 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 2jpa s PHE 7 CO 0.27 0.56 -0.06 -1.64 0.70 0.00 0.00 175.22 175.05 2jpa s MET 8 N -3.73 0.71 0.50 0.44 -1.94 -1.26 -0.23 119.30 113.80 2jpa s MET 8 Ca 0.33 -1.15 -0.19 0.00 -1.71 0.00 0.00 55.69 52.97 2jpa s MET 8 Cb -0.06 -0.18 -0.08 0.00 2.01 0.00 0.00 34.83 36.52 2jpa s MET 8 CO 0.21 -0.01 1.02 0.00 -0.01 0.00 0.00 175.02 176.23 2jpa n ALA 10 N -1.25 2.74 -2.66 0.00 0.00 -1.26 -4.04 120.51 114.03 2jpa n ALA 10 Ca 0.08 -0.67 -0.42 0.00 0.00 0.00 0.00 53.44 52.43 2jpa n ALA 10 Cb 0.53 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 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 -2.12 3.47 0.58 0.00 5.04 -1.26 -4.91 117.35 118.15 2jpa s TYR 11 Ca 0.26 1.55 0.28 0.00 -2.44 0.00 0.00 57.07 56.72 2jpa s TYR 11 Cb 0.20 -3.22 1.58 0.00 0.35 0.00 0.00 41.96 40.87 2jpa s TYR 11 CO 0.37 -0.36 2.05 -1.35 -1.34 0.00 0.00 175.55 174.92 2jpa h PRO 12 N 7.14 0.00 -0.05 4.97 0.11 -2.00 0.24 132.00 142.40 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 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2jpa h PRO 12 CO 0.86 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.06 2jpa n GLY 13 N -1.45 -0.15 0.00 -0.55 0.00 -1.26 -4.70 105.19 97.08 2jpa n GLY 13 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.91 -4.05 -4.92 0.00 4.05 -0.49 -4.97 115.26 103.98 2jpa n ASN 15 Ca 0.00 -0.03 -0.27 0.00 0.45 0.00 0.00 54.58 54.73 2jpa n ASN 15 Cb 0.00 -3.39 0.06 0.00 1.23 0.00 0.00 39.78 37.68 2jpa n ASN 15 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 2jpa s LYS 16 N -5.40 2.34 0.25 1.20 1.02 -1.26 -4.47 119.74 113.42 2jpa s LYS 16 Ca 0.15 -0.06 0.04 0.00 0.02 0.00 0.00 55.97 56.12 2jpa s LYS 16 Cb -0.08 -2.13 -0.03 0.00 -0.52 0.00 0.00 37.83 35.07 2jpa s LYS 16 CO 0.19 -1.20 0.39 -0.98 -0.92 0.00 0.00 175.35 172.83 2jpa s ARG 17 N -5.28 3.45 0.21 1.68 1.04 -1.26 -0.00 118.95 118.79 2jpa s ARG 17 Ca 0.59 -0.64 -0.04 0.00 -1.04 0.00 0.00 55.73 54.61 2jpa s ARG 17 Cb -0.11 -2.85 -0.03 0.00 -2.04 0.00 0.00 34.95 29.92 2jpa s ARG 17 CO 0.46 0.38 0.21 0.71 -0.04 0.00 0.00 175.30 177.03 2jpa s TYR 18 N -2.01 0.98 0.00 5.89 2.02 0.69 -4.92 117.35 119.99 2jpa s TYR 18 Ca 0.35 -1.23 0.00 0.00 -0.37 0.00 0.00 57.07 55.82 2jpa s TYR 18 Cb -0.09 -0.39 0.00 0.00 -0.40 0.00 0.00 41.96 41.08 2jpa s TYR 18 CO 0.30 -0.73 0.00 0.34 -1.57 0.00 0.00 175.55 173.89 2jpa n PHE 19 N -0.30 0.00 -3.19 2.71 7.35 -1.26 -1.36 117.46 121.41 2jpa n PHE 19 Ca 0.01 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.30 2jpa n PHE 19 Cb 0.65 0.03 -0.07 0.00 0.35 0.00 0.00 39.48 40.43 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 -1.97 3.89 0.28 -4.13 -0.14 -1.26 -4.23 119.74 112.18 2jpa s LYS 20 Ca 0.00 0.18 0.02 0.00 -1.36 0.00 0.00 55.97 54.82 2jpa s LYS 20 Cb 0.00 -3.72 0.65 0.00 -1.68 0.00 0.00 37.83 33.08 2jpa s LYS 20 CO 0.00 -0.52 1.75 1.37 -0.76 0.00 0.00 175.35 177.19 2jpa h LEU 21 N 9.02 0.54 -0.20 3.17 -0.00 -1.90 0.10 115.31 126.04 2jpa h LEU 21 Ca -0.28 0.11 -0.05 0.00 -0.00 0.00 0.00 57.88 57.66 2jpa h LEU 21 Cb 1.13 0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.81 2jpa h LEU 21 CO 0.76 0.17 -0.08 0.77 -0.00 0.00 0.00 178.44 180.06 2jpa h SER 22 N 0.59 0.42 0.09 0.17 4.64 -1.93 0.11 113.55 117.65 2jpa h SER 22 Ca 0.52 -0.40 -0.04 0.00 -0.47 0.00 0.00 61.79 61.41 2jpa h SER 22 Cb 0.85 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 2jpa h SER 22 CO -0.42 0.73 -0.14 1.12 -0.87 0.00 0.00 176.83 177.25 2jpa h HIS 23 N 0.12 0.10 -0.17 4.77 2.07 -1.58 0.22 115.15 120.68 2jpa h HIS 23 Ca 0.05 -0.01 -0.22 0.00 -2.85 0.00 0.00 60.37 57.34 2jpa h HIS 23 Cb 0.56 -0.03 0.01 0.00 2.57 0.00 0.00 27.41 30.52 2jpa h HIS 23 CO 0.06 0.24 -0.74 1.25 -3.07 0.00 0.00 177.93 175.67 2jpa h LEU 24 N 0.10 0.94 -1.08 6.12 7.12 -0.77 -1.55 115.31 126.18 2jpa h LEU 24 Ca 0.02 -0.60 0.05 0.00 0.13 0.00 0.00 57.88 57.48 2jpa h LEU 24 Cb 0.31 -0.28 -0.06 0.00 -0.53 0.00 0.00 40.66 40.10 2jpa h LEU 24 CO 0.02 1.40 0.62 -0.61 -0.13 0.00 0.00 178.44 179.74 2jpa h GLN 25 N 0.56 1.12 -0.32 1.25 -0.00 0.77 0.17 115.11 118.64 2jpa h GLN 25 Ca -0.04 -0.07 -0.06 0.00 -0.00 0.00 0.00 58.65 58.48 2jpa h GLN 25 Cb 1.37 -0.25 -0.01 0.00 0.00 0.00 0.00 27.48 28.59 2jpa h GLN 25 CO 0.15 0.74 -0.03 1.98 0.00 0.00 0.00 178.83 181.67 2jpa h MET 26 N 1.15 0.60 -0.81 1.69 4.05 -0.59 -2.92 114.93 118.10 2jpa h MET 26 Ca 0.39 -0.21 0.05 0.00 -0.28 0.00 0.00 59.70 59.66 2jpa h MET 26 Cb 0.09 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.80 2jpa h MET 26 CO -0.14 0.75 0.53 1.25 0.23 0.00 0.00 176.91 179.53 2jpa h HIS 27 N 0.39 0.91 -0.52 1.39 -0.00 -0.19 -1.22 115.15 115.91 2jpa h HIS 27 Ca 0.09 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.51 2jpa h HIS 27 Cb 0.50 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 27.58 2jpa h HIS 27 CO 0.04 0.50 0.35 0.66 -0.00 0.00 0.00 177.93 179.48 2jpa h SER 28 N 0.92 0.53 -0.92 3.26 4.64 -0.53 -1.52 113.55 119.93 2jpa h SER 28 Ca 0.34 -0.01 0.11 0.00 -0.47 0.00 0.00 61.79 61.76 2jpa h SER 28 Cb 0.17 -0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 62.06 2jpa h SER 28 CO -0.11 0.37 0.59 0.03 -0.87 0.00 0.00 176.83 176.83 2jpa h ARG 29 N 0.61 0.86 -0.68 4.77 2.47 -1.17 -0.42 114.38 120.81 2jpa h ARG 29 Ca 0.21 -0.05 0.07 0.00 -1.26 0.00 0.00 59.98 58.94 2jpa h ARG 29 Cb 0.07 -0.19 -0.06 0.00 -1.65 0.00 0.00 29.97 28.14 2jpa h ARG 29 CO -0.05 0.57 0.37 -0.22 0.56 0.00 0.00 179.97 181.20 2jpa h LYS 30 N 0.89 0.65 0.00 0.04 3.64 -1.37 -2.55 116.57 117.86 2jpa h LYS 30 Ca 0.44 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.76 2jpa h LYS 30 Cb 0.47 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2jpa h LYS 30 CO -0.20 0.43 -0.11 0.45 -2.27 0.00 0.00 179.45 177.76 2jpa h HIS 31 N 0.67 0.00 -0.20 1.91 3.86 -1.18 -2.97 115.15 117.25 2jpa h HIS 31 Ca 0.31 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.58 2jpa h HIS 31 Cb 0.23 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 2jpa h HIS 31 CO -0.08 0.11 0.19 1.79 0.86 0.00 0.00 177.93 180.79 2jpa h THR 32 N 0.00 0.59 -0.68 2.45 1.35 -1.21 0.97 112.91 116.37 2jpa h THR 32 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2jpa h THR 32 Cb 0.90 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 2jpa h THR 32 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 2jpa n GLY 33 N -1.45 2.60 0.00 5.82 0.00 -1.12 -4.26 105.19 106.78 2jpa n GLY 33 Ca 0.02 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 1.43 0.18 -2.11 1.61 1.02 0.31 -4.53 120.64 118.55 2jpa n GLU 34 Ca 0.24 -0.75 -0.43 0.00 -0.02 0.00 0.00 57.16 56.20 2jpa n GLU 34 Cb 0.68 -0.96 -0.03 0.00 -0.02 0.00 0.00 31.44 31.11 2jpa n GLU 34 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2jpa s LYS 35 N -0.28 3.64 -0.17 3.49 2.47 -0.18 -4.94 119.74 123.77 2jpa s LYS 35 Ca 0.00 1.51 -0.29 0.00 -1.56 0.00 0.00 55.97 55.63 2jpa s LYS 35 Cb 0.00 -4.08 -0.01 0.00 -1.46 0.00 0.00 37.83 32.28 2jpa s LYS 35 CO 0.00 -1.49 1.23 -1.25 0.16 0.00 0.00 175.35 174.00 2jpa s PRO 36 N 4.99 4.24 0.18 4.03 0.04 -1.26 -3.10 135.00 144.12 2jpa s PRO 36 Ca 0.73 1.62 0.07 0.00 0.04 0.00 0.00 61.00 63.46 2jpa s PRO 36 Cb -0.23 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 2jpa s PRO 36 CO 0.31 -0.68 -0.14 0.71 0.04 0.00 0.00 177.00 177.23 2jpa s TYR 37 N 3.39 1.62 0.12 0.56 2.02 -0.22 -5.01 117.35 119.83 2jpa s TYR 37 Ca 0.53 -0.58 0.04 0.00 -0.37 0.00 0.00 57.07 56.69 2jpa s TYR 37 Cb -0.21 -0.78 -0.04 0.00 -0.40 0.00 0.00 41.96 40.53 2jpa s TYR 37 CO 0.14 0.29 -0.10 1.14 -1.57 0.00 0.00 175.55 175.44 2jpa s GLN 38 N -3.37 0.94 0.43 -0.62 -2.07 -1.26 -0.70 119.66 113.01 2jpa s GLN 38 Ca 0.19 -1.30 -0.22 0.00 -1.82 0.00 0.00 55.36 52.21 2jpa s GLN 38 Cb -0.02 -0.55 -0.10 0.00 -1.09 0.00 0.00 33.01 31.26 2jpa s GLN 38 CO 0.05 0.07 1.00 0.00 -1.32 0.00 0.00 175.29 175.09 2jpa n ASP 40 N -0.54 0.66 -4.70 0.00 5.75 -1.26 -4.24 116.55 112.22 2jpa n ASP 40 Ca 0.07 -0.02 -0.42 0.00 -0.01 0.00 0.00 54.79 54.41 2jpa n ASP 40 Cb 0.52 0.48 -0.03 0.00 -1.03 0.00 0.00 41.12 41.06 2jpa n ASP 40 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2jpa s PHE 41 N -3.19 2.79 0.53 2.11 0.40 -1.26 -4.89 117.98 114.47 2jpa s PHE 41 Ca 0.05 0.66 0.30 0.00 -0.60 0.00 0.00 56.93 57.34 2jpa s PHE 41 Cb 0.14 -3.79 1.74 0.00 0.51 0.00 0.00 43.02 41.62 2jpa s PHE 41 CO 0.76 -2.98 2.20 0.87 0.70 0.00 0.00 175.22 176.78 2jpa h LYS 42 N 7.74 0.00 -0.01 0.44 1.79 -2.02 0.47 116.57 124.98 2jpa h LYS 42 Ca -0.41 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 2jpa h LYS 42 Cb 1.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2jpa h LYS 42 CO 0.91 0.04 -0.27 -0.40 -1.08 0.00 0.00 179.45 178.65 2jpa n ASP 43 N -3.72 0.92 0.00 0.86 5.75 -1.26 -4.58 116.55 114.53 2jpa n ASP 43 Ca -0.03 -0.79 0.00 0.00 -0.01 0.00 0.00 54.79 53.96 2jpa n ASP 43 Cb 0.13 0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 2jpa n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jpa n GLU 45 N -1.68 -3.29 -2.40 0.00 -0.58 -0.44 -4.99 120.64 107.26 2jpa n GLU 45 Ca 0.00 0.54 -0.24 0.00 -0.42 0.00 0.00 57.16 57.05 2jpa n GLU 45 Cb 0.00 -5.24 0.05 0.00 -0.57 0.00 0.00 31.44 25.68 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 -5.73 2.39 0.08 3.49 3.00 -1.26 -4.84 118.95 116.07 2jpa s ARG 46 Ca 0.29 -0.45 0.05 0.00 0.00 0.00 0.00 55.73 55.62 2jpa s ARG 46 Cb -0.15 -2.31 -0.03 0.00 0.00 0.00 0.00 34.95 32.46 2jpa s ARG 46 CO 0.36 -0.98 -0.14 1.03 0.00 0.00 0.00 175.30 175.56 2jpa s ARG 47 N -5.03 0.84 0.12 3.54 3.00 -1.26 -0.95 118.95 119.21 2jpa s ARG 47 Ca 0.58 -0.98 0.02 0.00 0.00 0.00 0.00 55.73 55.35 2jpa s ARG 47 Cb -0.11 -0.85 -0.04 0.00 0.00 0.00 0.00 34.95 33.96 2jpa s ARG 47 CO 0.42 0.19 -0.05 -0.06 0.00 0.00 0.00 175.30 175.80 2jpa s PHE 48 N -1.35 1.00 -1.58 -0.53 0.08 0.12 -4.99 117.98 110.74 2jpa s PHE 48 Ca -0.01 -0.94 0.15 0.00 0.12 0.00 0.00 56.93 56.24 2jpa s PHE 48 Cb -0.10 -0.57 0.27 0.00 -0.57 0.00 0.00 43.02 42.05 2jpa s PHE 48 CO 0.02 -0.17 1.16 -1.13 -0.10 0.00 0.00 175.22 175.01 2jpa n SER 49 N -0.11 2.75 -3.73 1.36 3.41 -1.26 -1.05 113.62 115.00 2jpa n SER 49 Ca -0.10 -1.81 -0.14 0.00 -0.26 0.00 0.00 58.87 56.56 2jpa n SER 49 Cb 0.62 -0.16 -0.09 0.00 -0.26 0.00 0.00 64.21 64.32 2jpa n SER 49 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2jpa s ARG 50 N -1.13 0.67 0.24 4.33 3.52 -1.18 -1.01 118.95 124.39 2jpa s ARG 50 Ca 0.24 0.01 -0.06 0.00 -0.13 0.00 0.00 55.73 55.79 2jpa s ARG 50 Cb 0.14 0.30 0.34 0.00 -1.56 0.00 0.00 34.95 34.18 2jpa s ARG 50 CO 0.20 -0.17 1.82 0.77 -0.81 0.00 0.00 175.30 177.11 2jpa h SER 51 N 4.11 0.70 -0.79 -2.12 0.02 -1.84 -1.78 113.55 111.85 2jpa h SER 51 Ca -0.29 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.65 2jpa h SER 51 Cb 1.17 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 2jpa h SER 51 CO 0.37 0.43 0.33 -0.78 -1.14 0.00 0.00 176.83 176.04 2jpa h ASP 52 N 0.83 1.09 -0.05 3.07 3.58 -1.96 0.21 116.42 123.18 2jpa h ASP 52 Ca 0.37 -0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 2jpa h ASP 52 Cb 0.26 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 2jpa h ASP 52 CO -0.21 0.96 0.03 1.56 -2.88 0.00 0.00 179.24 178.70 2jpa h GLN 53 N 1.16 0.07 -0.75 0.28 4.20 -1.76 0.16 115.11 118.46 2jpa h GLN 53 Ca 0.27 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.92 2jpa h GLN 53 Cb 0.20 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 2jpa h GLN 53 CO -0.02 0.12 0.28 1.25 -0.67 0.00 0.00 178.83 179.78 2jpa h LEU 54 N 0.01 1.06 -0.38 1.46 5.85 -1.09 -0.28 115.31 121.94 2jpa h LEU 54 Ca 0.02 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 2jpa h LEU 54 Cb 0.06 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2jpa h LEU 54 CO -0.00 0.96 0.04 0.11 -0.34 0.00 0.00 178.44 179.20 2jpa h LYS 55 N 1.10 0.65 -0.60 1.25 1.57 -0.32 0.06 116.57 120.27 2jpa h LYS 55 Ca 0.25 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2jpa h LYS 55 Cb 0.24 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 2jpa h LYS 55 CO -0.02 0.72 0.33 0.00 -0.57 0.00 0.00 179.45 179.92 2jpa h ARG 56 N 0.48 0.85 -0.62 3.15 3.08 -0.60 -2.78 114.38 117.94 2jpa h ARG 56 Ca 0.11 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2jpa h ARG 56 Cb 0.41 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 2jpa h ARG 56 CO 0.01 0.65 0.37 1.25 -1.07 0.00 0.00 179.97 181.18 2jpa h HIS 57 N 0.82 0.81 -0.80 3.04 2.76 -0.73 -1.76 115.15 119.29 2jpa h HIS 57 Ca 0.21 0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.57 2jpa h HIS 57 Cb 0.05 -0.27 -0.05 0.00 1.55 0.00 0.00 27.41 28.69 2jpa h HIS 57 CO -0.01 0.54 0.54 1.96 -1.30 0.00 0.00 177.93 179.66 2jpa h GLN 58 N 0.85 0.31 -0.66 5.26 1.08 -0.69 0.38 115.11 121.63 2jpa h GLN 58 Ca 0.22 -0.02 0.14 0.00 -1.45 0.00 0.00 58.65 57.54 2jpa h GLN 58 Cb -0.03 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.29 2jpa h GLN 58 CO -0.04 0.20 0.45 0.00 -0.95 0.00 0.00 178.83 178.49 2jpa h ARG 59 N 0.32 0.31 -0.31 1.46 2.47 -1.38 0.47 114.38 117.72 2jpa h ARG 59 Ca 0.40 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 59.07 2jpa h ARG 59 Cb 1.09 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.33 2jpa h ARG 59 CO -0.11 0.20 0.06 -0.09 0.56 0.00 0.00 179.97 180.59 2jpa h ARG 60 N 0.32 0.45 0.13 0.04 2.43 -1.07 0.14 114.38 116.81 2jpa h ARG 60 Ca 0.32 -0.07 -0.23 0.00 -0.81 0.00 0.00 59.98 59.19 2jpa h ARG 60 Cb 0.81 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.29 2jpa h ARG 60 CO -0.08 0.43 -1.11 0.45 -1.51 0.00 0.00 179.97 178.15 2jpa h HIS 61 N 0.44 0.51 0.00 2.20 -0.00 -1.09 -3.38 115.15 113.84 2jpa h HIS 61 Ca 0.10 -0.37 -0.06 0.00 -0.00 0.00 0.00 60.37 60.04 2jpa h HIS 61 Cb 0.20 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.58 2jpa h HIS 61 CO 0.01 1.43 -0.41 1.79 -0.00 0.00 0.00 177.93 180.75 2jpa h THR 62 N -0.33 0.47 0.00 2.45 1.35 -1.06 -3.47 112.91 112.33 2jpa h THR 62 Ca -0.22 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.95 2jpa h THR 62 Cb 1.71 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 70.32 2jpa h THR 62 CO 0.11 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.26 2jpa n GLY 63 N 1.19 0.49 3.70 5.82 0.00 0.47 -4.96 105.19 111.90 2jpa n GLY 63 Ca 0.02 0.00 -0.42 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 -2.46 3.45 -0.53 1.61 1.01 -1.25 -4.99 120.40 117.24 2jpa s VAL 64 Ca 0.00 0.95 0.04 0.00 0.00 0.00 0.00 61.98 62.96 2jpa s VAL 64 Cb 0.00 -3.61 0.14 0.00 0.00 0.00 0.00 36.38 32.91 2jpa s VAL 64 CO 0.00 0.03 0.31 -0.54 0.00 0.00 0.00 175.10 174.90 2jpa s LYS 65 N 1.85 1.80 0.28 2.72 1.02 -1.26 -4.65 119.74 121.50 2jpa s LYS 65 Ca 0.65 -2.56 0.25 0.00 0.02 0.00 0.00 55.97 54.33 2jpa s LYS 65 Cb -0.35 -2.91 0.55 0.00 -0.52 0.00 0.00 37.83 34.60 2jpa s LYS 65 CO 0.29 -1.18 1.63 -1.00 -0.92 0.00 0.00 175.35 174.16 2jpa h PRO 66 N 6.27 0.00 -4.98 -1.68 0.13 -1.83 -3.39 132.00 126.52 2jpa h PRO 66 Ca 0.01 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.45 2jpa h PRO 66 Cb 0.87 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.82 2jpa h PRO 66 CO 0.61 0.00 0.79 -0.06 -0.23 0.00 0.00 178.00 179.10 2jpa s PHE 67 N -3.16 3.14 0.06 1.56 0.08 -0.48 -4.94 117.98 114.24 2jpa s PHE 67 Ca 0.08 -1.39 -0.16 0.00 0.12 0.00 0.00 56.93 55.58 2jpa s PHE 67 Cb 0.10 -4.26 -0.06 0.00 -0.57 0.00 0.00 43.02 38.23 2jpa s PHE 67 CO 0.65 -1.47 0.49 1.14 -0.10 0.00 0.00 175.22 175.93 2jpa s GLN 68 N 2.61 4.02 0.50 0.44 -2.07 -1.26 -0.16 119.66 123.74 2jpa s GLN 68 Ca 0.31 0.52 -0.22 0.00 -1.82 0.00 0.00 55.36 54.15 2jpa s GLN 68 Cb -0.06 -3.15 -0.06 0.00 -1.09 0.00 0.00 33.01 28.66 2jpa s GLN 68 CO -0.09 0.62 1.28 0.00 -1.32 0.00 0.00 175.29 175.78 2jpa n LYS 70 N -0.74 0.27 0.00 0.00 -0.00 -1.26 -3.04 118.16 113.39 2jpa n LYS 70 Ca 0.09 0.24 0.00 0.00 -0.00 0.00 0.00 58.31 58.64 2jpa n LYS 70 Cb 0.46 -1.82 0.00 0.00 -0.00 0.00 0.00 35.03 33.67 2jpa n LYS 70 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2jpa n THR 71 N -2.29 0.00 1.28 0.58 -1.04 -1.26 -4.68 114.28 106.86 2jpa n THR 71 Ca 0.05 0.25 0.14 0.00 -2.04 0.00 0.00 64.05 62.45 2jpa n THR 71 Cb 0.42 -1.25 0.60 0.00 -1.82 0.00 0.00 70.33 68.28 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 -1.20 -1.25 -2.21 0.00 1.13 -1.17 -4.97 117.38 107.71 2jpa n GLN 73 Ca 0.12 0.79 -0.40 0.00 -1.94 0.00 0.00 57.00 55.57 2jpa n GLN 73 Cb 0.29 -4.94 -0.02 0.00 0.11 0.00 0.00 30.24 25.68 2jpa n GLN 73 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2jpa s ARG 74 N -2.61 4.28 -0.11 -1.09 3.52 -1.26 -4.48 118.95 117.19 2jpa s ARG 74 Ca 0.00 2.05 -0.08 0.00 -0.13 0.00 0.00 55.73 57.57 2jpa s ARG 74 Cb 0.00 -2.95 -0.04 0.00 -1.56 0.00 0.00 34.95 30.39 2jpa s ARG 74 CO 0.00 -0.19 0.17 0.15 -0.81 0.00 0.00 175.30 174.62 2jpa s LYS 75 N -1.92 3.50 0.12 5.12 -0.14 -1.26 -0.05 119.74 125.11 2jpa s LYS 75 Ca 0.51 -0.07 0.05 0.00 -1.36 0.00 0.00 55.97 55.11 2jpa s LYS 75 Cb -0.36 -3.20 -0.04 0.00 -1.68 0.00 0.00 37.83 32.56 2jpa s LYS 75 CO 0.47 0.77 -0.13 -0.06 -0.76 0.00 0.00 175.35 175.64 2jpa s PHE 76 N -1.02 1.30 -1.20 3.18 0.08 0.78 -4.97 117.98 116.12 2jpa s PHE 76 Ca 0.16 -0.59 0.22 0.00 0.12 0.00 0.00 56.93 56.84 2jpa s PHE 76 Cb -0.13 -0.68 -0.05 0.00 -0.57 0.00 0.00 43.02 41.59 2jpa s PHE 76 CO 0.05 0.10 1.03 -1.13 -0.10 0.00 0.00 175.22 175.18 2jpa n SER 77 N 0.51 1.10 -3.95 1.36 3.41 -1.26 -1.38 113.62 113.41 2jpa n SER 77 Ca -0.15 -0.97 -0.17 0.00 -0.26 0.00 0.00 58.87 57.31 2jpa n SER 77 Cb 0.57 0.77 -0.15 0.00 -0.26 0.00 0.00 64.21 65.15 2jpa n SER 77 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2jpa s ARG 78 N -2.89 0.56 0.44 4.33 0.52 -1.26 -4.81 118.95 115.84 2jpa s ARG 78 Ca 0.11 -0.18 0.12 0.00 -0.52 0.00 0.00 55.73 55.26 2jpa s ARG 78 Cb 0.17 -0.56 0.98 0.00 0.52 0.00 0.00 34.95 36.06 2jpa s ARG 78 CO 0.78 0.07 2.03 0.66 0.02 0.00 0.00 175.30 178.86 2jpa h SER 79 N 6.34 0.17 -0.25 0.23 4.64 -1.96 -1.35 113.55 121.37 2jpa h SER 79 Ca -0.32 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 60.89 2jpa h SER 79 Cb 1.18 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 2jpa h SER 79 CO 0.49 0.22 -0.17 -2.24 -0.87 0.00 0.00 176.83 174.27 2jpa h ASP 80 N 0.19 0.68 0.48 4.97 3.04 -1.98 0.22 116.42 124.03 2jpa h ASP 80 Ca 0.05 -0.22 -0.23 0.00 -3.24 0.00 0.00 57.03 53.39 2jpa h ASP 80 Cb 0.16 -0.19 -0.00 0.00 -1.04 0.00 0.00 39.33 38.26 2jpa h ASP 80 CO 0.00 0.86 -1.00 0.45 -2.04 0.00 0.00 179.24 177.51 2jpa h HIS 81 N 0.62 0.49 -0.15 4.15 3.86 -1.85 -0.84 115.15 121.43 2jpa h HIS 81 Ca 0.10 -0.29 -0.02 0.00 -1.16 0.00 0.00 60.37 59.00 2jpa h HIS 81 Cb 0.63 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 2jpa h HIS 81 CO 0.03 1.14 0.01 1.25 0.86 0.00 0.00 177.93 181.22 2jpa h LEU 82 N 0.16 0.25 -1.35 2.43 6.46 -1.06 0.24 115.31 122.43 2jpa h LEU 82 Ca -0.08 -0.28 -0.03 0.00 -0.12 0.00 0.00 57.88 57.37 2jpa h LEU 82 Cb 1.66 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 41.51 2jpa h LEU 82 CO 0.17 0.46 0.10 0.50 -0.62 0.00 0.00 178.44 179.05 2jpa h LYS 83 N 0.02 0.53 -0.03 1.25 3.64 -0.60 0.43 116.57 121.81 2jpa h LYS 83 Ca 0.04 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2jpa h LYS 83 Cb 0.33 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2jpa h LYS 83 CO 0.00 0.49 -0.00 1.15 -2.27 0.00 0.00 179.45 178.82 2jpa h THR 84 N 0.53 1.26 0.00 1.00 2.02 -0.93 -3.07 112.91 113.73 2jpa h THR 84 Ca 0.12 -0.79 -0.06 0.00 0.77 0.00 0.00 66.41 66.46 2jpa h THR 84 Cb 0.19 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 2jpa h THR 84 CO -0.01 0.21 -0.27 -0.74 0.37 0.00 0.00 175.52 175.08 2jpa h HIS 85 N -0.26 0.00 -0.92 3.16 -0.00 -0.09 -1.44 115.15 115.60 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 0.34 0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 27.67 2jpa h HIS 85 CO 0.04 0.27 0.54 1.15 -0.00 0.00 0.00 177.93 179.94 2jpa h THR 86 N 0.00 0.88 0.00 6.26 2.02 -0.05 0.16 112.91 122.18 2jpa h THR 86 Ca -0.00 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 2jpa h THR 86 Cb 0.49 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 2jpa h THR 86 CO 0.04 0.16 -0.07 0.03 0.37 0.00 0.00 175.52 176.05 2jpa h ARG 87 N 0.86 0.00 -0.49 6.66 2.47 -1.18 0.71 114.38 123.41 2jpa h ARG 87 Ca 0.46 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 59.10 2jpa h ARG 87 Cb 0.48 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.78 2jpa h ARG 87 CO -0.28 0.07 -0.00 1.15 0.56 0.00 0.00 179.97 181.47 2jpa h THR 88 N 0.00 1.24 0.00 2.04 2.02 -1.02 0.77 112.91 117.97 2jpa h THR 88 Ca -0.00 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 2jpa h THR 88 Cb 0.15 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 2jpa h THR 88 CO 0.01 0.36 -0.51 0.45 0.37 0.00 0.00 175.52 176.20 2jpa h HIS 89 N 0.75 0.00 -0.01 3.16 3.86 -1.12 -3.29 115.15 118.51 2jpa h HIS 89 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2jpa h HIS 89 Cb 0.46 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.93 2jpa h HIS 89 CO 0.02 0.04 -0.36 2.41 0.86 0.00 0.00 177.93 180.90 2jpa n THR 90 N -2.91 0.00 -1.47 2.45 -1.04 0.10 -4.94 114.28 106.47 2jpa n THR 90 Ca 0.02 -0.11 -0.16 0.00 -2.04 0.00 0.00 64.05 61.75 2jpa n THR 90 Cb 0.56 0.50 -0.07 0.00 -1.82 0.00 0.00 70.33 69.50 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 1.58 3.53 3.41 0.00 0.19 -4.93 105.19 110.36 2jpa n GLY 91 Ca 0.10 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.36 3.34 -0.64 1.61 2.12 -0.74 -4.96 118.70 116.06 2jpa s GLU 92 Ca 0.00 -0.21 0.05 0.00 0.36 0.00 0.00 54.97 55.16 2jpa s GLU 92 Cb 0.00 -4.07 0.16 0.00 0.26 0.00 0.00 34.13 30.49 2jpa s GLU 92 CO 0.00 -1.59 0.45 0.15 -0.54 0.00 0.00 175.26 173.72 2jpa s LYS 93 N 4.26 2.18 0.33 4.30 1.02 -1.26 -4.32 119.74 126.25 2jpa s LYS 93 Ca 0.32 -3.08 0.21 0.00 0.02 0.00 0.00 55.97 53.45 2jpa s LYS 93 Cb -0.12 -3.12 0.17 0.00 -0.52 0.00 0.00 37.83 34.24 2jpa s LYS 93 CO 0.19 -1.28 1.37 -1.00 -0.92 0.00 0.00 175.35 173.72 2jpa h PRO 94 N 5.57 0.00 -5.36 -1.68 0.13 -1.83 -3.39 132.00 125.44 2jpa h PRO 94 Ca 0.13 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.61 2jpa h PRO 94 Cb 0.79 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.86 2jpa h PRO 94 CO 0.66 0.08 2.31 1.19 -0.23 0.00 0.00 178.00 182.01 2jpa n PHE 95 N -2.98 4.13 -2.81 1.56 3.72 -0.27 -4.88 117.46 115.93 2jpa n PHE 95 Ca 0.02 -2.70 -0.36 0.00 -0.05 0.00 0.00 57.45 54.36 2jpa n PHE 95 Cb 0.58 -2.59 -0.07 0.00 -0.94 0.00 0.00 39.48 36.47 2jpa n PHE 95 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2jpa s SER 96 N 4.25 7.21 0.77 4.37 0.01 -1.26 -0.97 113.70 128.08 2jpa s SER 96 Ca 0.54 1.77 -0.11 0.00 1.31 0.00 0.00 55.95 59.46 2jpa s SER 96 Cb 0.06 -2.56 0.06 0.00 0.21 0.00 0.00 66.02 63.79 2jpa s SER 96 CO 0.05 -0.15 1.08 0.00 0.41 0.00 0.00 173.24 174.64 2jpa n ARG 98 N -3.46 -0.87 -1.36 0.00 3.00 -1.26 -4.82 116.66 107.89 2jpa n ARG 98 Ca 0.08 -0.52 -0.33 0.00 -0.01 0.00 0.00 57.85 57.07 2jpa n ARG 98 Cb 0.54 -0.99 0.09 0.00 0.00 0.00 0.00 32.46 32.10 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 -0.03 2.20 0.08 -1.55 0.52 -1.26 -4.90 118.94 113.99 2jpa s TRP 99 Ca 0.00 1.62 -0.31 0.00 0.02 0.00 0.00 56.10 57.43 2jpa s TRP 99 Cb 0.00 -3.31 -0.09 0.00 -1.15 0.00 0.00 33.47 28.92 2jpa s TRP 99 CO 0.00 -2.28 1.86 -1.25 0.02 0.00 0.00 176.95 175.30 2jpa s PRO 100 N -4.24 4.15 -1.37 4.98 0.04 -1.26 -1.91 135.00 135.38 2jpa s PRO 100 Ca 0.69 2.56 0.00 0.00 0.04 0.00 0.00 61.00 64.29 2jpa s PRO 100 Cb -0.24 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.47 2jpa s PRO 100 CO 0.48 -0.88 0.00 0.45 0.04 0.00 0.00 177.00 177.09 2jpa n SER 101 N 6.46 -4.76 -4.89 6.66 2.88 -1.26 -5.01 113.62 113.70 2jpa n SER 101 Ca 0.18 0.32 -0.25 0.00 -1.33 0.00 0.00 58.87 57.79 2jpa n SER 101 Cb 0.40 -3.40 0.07 0.00 -0.75 0.00 0.00 64.21 60.53 2jpa n SER 101 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jpa n GLN 103 N -2.89 0.00 -3.28 0.00 0.00 -1.26 -4.95 117.38 105.01 2jpa n GLN 103 Ca 0.09 -0.14 -0.39 0.00 0.00 0.00 0.00 57.00 56.56 2jpa n GLN 103 Cb 0.60 0.09 -0.06 0.00 0.00 0.00 0.00 30.24 30.88 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 4.20 0.07 2.61 3.01 -1.26 -4.92 119.74 123.44 2jpa s LYS 104 Ca 0.00 0.73 0.06 0.00 -1.01 0.00 0.00 55.97 55.75 2jpa s LYS 104 Cb 0.00 -3.24 -0.03 0.00 -1.01 0.00 0.00 37.83 33.55 2jpa s LYS 104 CO 0.00 0.64 -0.16 0.15 0.51 0.00 0.00 175.35 176.48 2jpa s LYS 105 N -1.10 0.97 0.11 1.68 1.02 -1.26 -0.39 119.74 120.78 2jpa s LYS 105 Ca 0.29 -0.96 0.03 0.00 0.02 0.00 0.00 55.97 55.34 2jpa s LYS 105 Cb -0.19 -1.06 -0.04 0.00 -0.52 0.00 0.00 37.83 36.02 2jpa s LYS 105 CO 0.19 0.25 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.73 2jpa s PHE 106 N -1.10 1.01 -2.45 3.18 0.08 -0.14 -4.95 117.98 113.60 2jpa s PHE 106 Ca 0.02 -0.82 0.25 0.00 0.12 0.00 0.00 56.93 56.49 2jpa s PHE 106 Cb -0.09 -0.55 0.39 0.00 -0.57 0.00 0.00 43.02 42.19 2jpa s PHE 106 CO 0.02 -0.06 1.36 0.00 -0.10 0.00 0.00 175.22 176.44 2jpa n ALA 107 N 0.04 2.88 -2.66 5.36 0.00 -1.26 -1.11 120.51 123.75 2jpa n ALA 107 Ca -0.12 -0.59 -0.19 0.00 0.00 0.00 0.00 53.44 52.54 2jpa n ALA 107 Cb 0.60 -0.92 -0.14 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.20 0.81 0.15 0.00 0.52 -1.26 -4.88 118.95 112.09 2jpa s ARG 108 Ca 0.27 -0.42 -0.16 0.00 -0.52 0.00 0.00 55.73 54.89 2jpa s ARG 108 Cb 0.20 -0.78 0.05 0.00 0.52 0.00 0.00 34.95 34.93 2jpa s ARG 108 CO 0.41 0.21 1.76 0.66 0.02 0.00 0.00 175.30 178.36 2jpa h SER 109 N 5.72 0.16 -0.04 0.23 4.64 -1.96 -1.84 113.55 120.46 2jpa h SER 109 Ca -0.32 0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 60.96 2jpa h SER 109 Cb 1.18 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2jpa h SER 109 CO 0.48 0.13 -0.18 -2.24 -0.87 0.00 0.00 176.83 174.15 2jpa h ASP 110 N 0.29 0.39 -0.83 4.97 2.03 -1.98 0.35 116.42 121.64 2jpa h ASP 110 Ca 0.16 -0.11 -0.00 0.00 -0.73 0.00 0.00 57.03 56.35 2jpa h ASP 110 Cb 0.12 -0.10 -0.04 0.00 -0.83 0.00 0.00 39.33 38.47 2jpa h ASP 110 CO -0.15 0.59 0.51 -0.33 -1.03 0.00 0.00 179.24 178.84 2jpa h GLU 111 N 0.36 1.12 -0.49 4.15 5.08 -1.84 0.26 114.58 123.22 2jpa h GLU 111 Ca 0.06 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 2jpa h GLU 111 Cb 0.54 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2jpa h GLU 111 CO 0.04 0.77 -0.10 1.25 -1.00 0.00 0.00 179.01 179.97 2jpa h LEU 112 N 1.13 0.94 -0.67 1.33 5.85 -0.63 0.11 115.31 123.36 2jpa h LEU 112 Ca 0.30 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.70 2jpa h LEU 112 Cb -0.07 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.66 2jpa h LEU 112 CO -0.06 1.07 0.41 0.58 -0.34 0.00 0.00 178.44 180.10 2jpa h VAL 113 N 0.79 1.06 -0.29 1.05 2.07 -0.49 -0.47 116.25 119.97 2jpa h VAL 113 Ca 0.13 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2jpa h VAL 113 Cb 0.65 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2jpa h VAL 113 CO 0.05 0.14 0.13 -0.09 0.02 0.00 0.00 177.57 177.82 2jpa h ARG 114 N 0.79 0.42 -0.27 1.57 2.43 -0.27 -1.38 114.38 117.66 2jpa h ARG 114 Ca 0.28 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.44 2jpa h ARG 114 Cb 0.06 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 2jpa h ARG 114 CO -0.12 0.41 -0.07 1.25 -1.51 0.00 0.00 179.97 179.92 2jpa h HIS 115 N 0.32 -0.16 -0.95 2.20 2.76 -0.44 0.64 115.15 119.52 2jpa h HIS 115 Ca 0.10 0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.37 2jpa h HIS 115 Cb 0.13 0.11 -0.07 0.00 1.55 0.00 0.00 27.41 29.14 2jpa h HIS 115 CO -0.02 -0.12 0.61 0.45 -1.30 0.00 0.00 177.93 177.55 2jpa h HIS 116 N -0.01 1.10 0.00 5.26 3.86 -0.94 -0.20 115.15 124.22 2jpa h HIS 116 Ca 0.13 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2jpa h HIS 116 Cb 0.21 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.32 2jpa h HIS 116 CO -0.27 0.53 0.00 -0.97 0.86 0.00 0.00 177.93 178.08 2jpa h ASN 117 N 1.04 0.00 -0.15 2.45 -0.00 0.24 -1.84 115.58 117.32 2jpa h ASN 117 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.73 2jpa h ASN 117 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.60 2jpa h ASN 117 CO -0.18 0.00 0.00 0.23 -0.00 0.00 0.00 177.43 177.48 2jpa n MET 118 N -2.39 1.56 0.00 6.67 2.81 -0.25 -5.08 117.12 120.44 2jpa n MET 118 Ca 0.02 -1.51 0.09 0.00 -1.81 0.00 0.00 57.70 54.49 2jpa n MET 118 Cb 0.23 -1.21 0.53 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