#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpa n SER 2 N 0.00 3.86 -3.55 0.00 3.41 -1.26 -4.84 113.62 111.23 2jpa n SER 2 Ca 0.00 -2.83 -0.11 0.00 -0.26 0.00 0.00 58.87 55.67 2jpa n SER 2 Cb 0.00 -1.61 -0.02 0.00 -0.26 0.00 0.00 64.21 62.32 2jpa n SER 2 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2jpa s GLU 3 N 3.65 1.40 0.14 4.33 -6.30 -1.26 -5.05 118.70 115.60 2jpa s GLU 3 Ca 0.50 -0.63 -0.25 0.00 -2.50 0.00 0.00 54.97 52.09 2jpa s GLU 3 Cb 0.12 0.58 -0.02 0.00 0.00 0.00 0.00 34.13 34.82 2jpa s GLU 3 CO -0.03 -0.62 1.61 -0.22 0.02 0.00 0.00 175.26 176.03 2jpa h LYS 4 N 2.03 -0.36 -1.22 4.30 3.64 -2.04 -3.40 116.57 119.52 2jpa h LYS 4 Ca -0.30 0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 58.97 2jpa h LYS 4 Cb 1.29 0.08 -0.22 0.00 -0.41 0.00 0.00 32.23 32.97 2jpa h LYS 4 CO 0.35 -0.24 -0.50 -0.98 -2.27 0.00 0.00 179.45 175.80 2jpa s ARG 5 N -6.02 0.77 0.00 1.90 1.70 -1.26 -5.12 118.95 110.93 2jpa s ARG 5 Ca -0.15 -0.39 0.00 0.00 -0.47 0.00 0.00 55.73 54.72 2jpa s ARG 5 Cb 0.11 -0.09 0.00 0.00 -0.57 0.00 0.00 34.95 34.39 2jpa s ARG 5 CO 0.66 -1.19 0.00 -0.35 -1.08 0.00 0.00 175.30 173.34 2jpa n PRO 6 N 4.39 0.00 -4.29 3.89 -0.04 -1.26 -5.07 135.00 132.62 2jpa n PRO 6 Ca 0.11 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.38 2jpa n PRO 6 Cb 0.54 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.89 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 0.13 1.60 0.07 0.54 0.40 -0.47 -5.01 117.98 115.25 2jpa s PHE 7 Ca 0.00 -0.53 0.02 0.00 -0.60 0.00 0.00 56.93 55.81 2jpa s PHE 7 Cb 0.00 -0.80 -0.04 0.00 0.51 0.00 0.00 43.02 42.69 2jpa s PHE 7 CO 0.00 0.24 -0.06 0.00 0.70 0.00 0.00 175.22 176.10 2jpa s MET 8 N -2.91 0.70 0.40 0.44 0.23 -1.26 -0.31 119.30 116.59 2jpa s MET 8 Ca 0.14 -1.13 -0.25 0.00 -1.03 0.00 0.00 55.69 53.41 2jpa s MET 8 Cb -0.04 -0.18 -0.08 0.00 -1.53 0.00 0.00 34.83 33.00 2jpa s MET 8 CO 0.05 -0.01 1.19 0.00 -2.03 0.00 0.00 175.02 174.22 2jpa n ALA 10 N 0.07 3.06 -2.60 0.00 0.00 -1.26 -3.91 120.51 115.87 2jpa n ALA 10 Ca 0.04 -0.41 -0.43 0.00 0.00 0.00 0.00 53.44 52.65 2jpa n ALA 10 Cb 0.46 -1.13 -0.02 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 -2.48 3.16 -0.51 0.00 5.04 -1.26 -4.96 117.35 116.33 2jpa s TYR 11 Ca 0.25 1.26 -0.27 0.00 -2.44 0.00 0.00 57.07 55.87 2jpa s TYR 11 Cb 0.19 -3.51 -0.04 0.00 0.35 0.00 0.00 41.96 38.96 2jpa s TYR 11 CO 0.51 -0.84 2.08 -1.25 -1.34 0.00 0.00 175.55 174.71 2jpa s PRO 12 N 3.48 2.55 0.00 4.97 0.04 -1.26 -1.65 135.00 143.14 2jpa s PRO 12 Ca 0.47 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2jpa s PRO 12 Cb -0.15 -4.44 0.00 0.00 0.04 0.00 0.00 34.50 29.96 2jpa s PRO 12 CO 0.12 -2.79 0.00 0.41 0.04 0.00 0.00 177.00 174.78 2jpa n GLY 13 N 5.78 3.83 0.00 0.56 0.00 -1.26 -4.99 105.19 109.11 2jpa n GLY 13 Ca 0.27 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.64 -3.75 -4.84 0.00 5.03 -1.09 -4.96 115.26 105.00 2jpa n ASN 15 Ca 0.00 0.02 -0.29 0.00 0.87 0.00 0.00 54.58 55.18 2jpa n ASN 15 Cb 0.00 -3.17 0.11 0.00 -1.02 0.00 0.00 39.78 35.70 2jpa n ASN 15 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2jpa s LYS 16 N -5.34 1.60 0.12 3.52 3.01 -1.26 -4.40 119.74 116.98 2jpa s LYS 16 Ca 0.13 0.25 -0.00 0.00 -1.01 0.00 0.00 55.97 55.33 2jpa s LYS 16 Cb -0.07 -1.90 -0.04 0.00 -1.01 0.00 0.00 37.83 34.81 2jpa s LYS 16 CO 0.16 -1.87 0.29 1.03 0.51 0.00 0.00 175.35 175.46 2jpa s ARG 17 N -5.39 3.49 0.18 1.68 0.52 -1.26 -0.01 118.95 118.15 2jpa s ARG 17 Ca 0.63 -0.40 0.00 0.00 -0.52 0.00 0.00 55.73 55.44 2jpa s ARG 17 Cb -0.13 -2.95 -0.04 0.00 0.52 0.00 0.00 34.95 32.34 2jpa s ARG 17 CO 0.52 0.53 0.05 0.71 0.02 0.00 0.00 175.30 177.13 2jpa s TYR 18 N -1.65 1.14 -0.03 -0.53 1.51 0.57 -4.56 117.35 113.81 2jpa s TYR 18 Ca 0.37 -1.17 -0.00 0.00 -1.01 0.00 0.00 57.07 55.25 2jpa s TYR 18 Cb -0.12 -0.64 -0.02 0.00 -0.11 0.00 0.00 41.96 41.07 2jpa s TYR 18 CO 0.28 -0.40 -0.03 0.34 -1.11 0.00 0.00 175.55 174.63 2jpa n PHE 19 N -0.23 0.00 -3.31 2.71 -0.00 -1.26 -1.36 117.46 114.00 2jpa n PHE 19 Ca -0.04 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.01 2jpa n PHE 19 Cb 0.64 -0.10 -0.08 0.00 -0.00 0.00 0.00 39.48 39.93 2jpa n PHE 19 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 2jpa s LYS 20 N -2.05 3.93 0.26 -4.13 3.01 -1.26 -4.77 119.74 114.73 2jpa s LYS 20 Ca -0.04 0.07 -0.03 0.00 -1.01 0.00 0.00 55.97 54.96 2jpa s LYS 20 Cb 0.01 -3.69 0.53 0.00 -1.01 0.00 0.00 37.83 33.67 2jpa s LYS 20 CO 0.06 -0.39 1.65 1.25 0.51 0.00 0.00 175.35 178.43 2jpa h LEU 21 N 8.77 -0.14 -0.20 3.17 6.46 -1.99 0.14 115.31 131.51 2jpa h LEU 21 Ca -0.30 0.18 -0.05 0.00 -0.12 0.00 0.00 57.88 57.59 2jpa h LEU 21 Cb 1.15 0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 41.35 2jpa h LEU 21 CO 0.70 -0.14 -0.07 0.77 -0.62 0.00 0.00 178.44 179.08 2jpa h SER 22 N 0.18 0.42 0.25 1.25 4.64 -1.98 0.54 113.55 118.85 2jpa h SER 22 Ca 0.46 -0.39 -0.05 0.00 -0.47 0.00 0.00 61.79 61.34 2jpa h SER 22 Cb 0.85 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 2jpa h SER 22 CO -0.62 0.71 -0.23 1.12 -0.87 0.00 0.00 176.83 176.94 2jpa h HIS 23 N 0.12 0.00 -0.17 4.77 2.07 -1.64 0.24 115.15 120.54 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 0.54 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.53 2jpa h HIS 23 CO 0.06 0.23 -0.74 1.25 -3.07 0.00 0.00 177.93 175.65 2jpa h LEU 24 N 0.00 0.92 -0.93 6.12 7.12 -0.68 -1.67 115.31 126.19 2jpa h LEU 24 Ca -0.00 -0.59 0.05 0.00 0.13 0.00 0.00 57.88 57.47 2jpa h LEU 24 Cb 0.42 -0.27 -0.06 0.00 -0.53 0.00 0.00 40.66 40.22 2jpa h LEU 24 CO 0.03 1.38 0.60 1.56 -0.13 0.00 0.00 178.44 181.89 2jpa h GLN 25 N 0.54 1.11 -0.16 1.25 1.08 0.50 0.24 115.11 119.68 2jpa h GLN 25 Ca -0.04 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2jpa h GLN 25 Cb 1.37 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 28.54 2jpa h GLN 25 CO 0.15 0.73 0.09 1.98 -0.95 0.00 0.00 178.83 180.84 2jpa h MET 26 N 1.14 0.23 -0.89 1.46 4.05 -0.52 -2.63 114.93 117.76 2jpa h MET 26 Ca 0.38 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.83 2jpa h MET 26 Cb 0.06 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 30.76 2jpa h MET 26 CO -0.14 0.22 0.58 1.25 0.23 0.00 0.00 176.91 179.05 2jpa h HIS 27 N 0.17 1.05 -0.33 1.39 -0.00 -0.28 -1.40 115.15 115.76 2jpa h HIS 27 Ca 0.06 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.48 2jpa h HIS 27 Cb 0.06 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 27.10 2jpa h HIS 27 CO -0.04 0.58 0.22 0.66 -0.00 0.00 0.00 177.93 179.34 2jpa h SER 28 N 1.06 0.28 -0.91 3.26 4.64 -0.20 -1.63 113.55 120.04 2jpa h SER 28 Ca 0.37 -0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.80 2jpa h SER 28 Cb 0.12 -0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 62.07 2jpa h SER 28 CO -0.13 0.19 0.59 -0.09 -0.87 0.00 0.00 176.83 176.52 2jpa h ARG 29 N 0.32 0.83 -0.54 4.77 1.12 -1.05 0.11 114.38 119.94 2jpa h ARG 29 Ca 0.13 -0.05 0.06 0.00 -1.11 0.00 0.00 59.98 59.01 2jpa h ARG 29 Cb 0.13 -0.19 -0.05 0.00 -0.01 0.00 0.00 29.97 29.85 2jpa h ARG 29 CO -0.03 0.55 0.25 0.87 -3.11 0.00 0.00 179.97 178.50 2jpa h LYS 30 N 0.85 0.46 0.00 0.20 1.57 -1.42 -2.70 116.57 115.53 2jpa h LYS 30 Ca 0.44 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.17 2jpa h LYS 30 Cb 0.51 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 2jpa h LYS 30 CO -0.20 0.30 -0.10 0.45 -0.57 0.00 0.00 179.45 179.33 2jpa h HIS 31 N 0.47 0.00 -0.19 -1.35 3.86 -0.92 -2.95 115.15 114.07 2jpa h HIS 31 Ca 0.25 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.52 2jpa h HIS 31 Cb 0.21 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 2jpa h HIS 31 CO -0.12 0.10 0.26 1.79 0.86 0.00 0.00 177.93 180.82 2jpa h THR 32 N 0.00 0.36 -0.38 2.45 1.35 -1.06 0.14 112.91 115.76 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 0.89 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 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 -1.38 3.53 0.00 5.82 0.00 -1.11 -4.43 105.19 107.62 2jpa n GLY 33 Ca 0.02 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 0.03 0.77 -3.10 1.61 1.02 0.46 -4.68 120.64 116.74 2jpa n GLU 34 Ca 0.22 -0.82 -0.43 0.00 -0.02 0.00 0.00 57.16 56.11 2jpa n GLU 34 Cb 0.89 -0.88 -0.06 0.00 -0.02 0.00 0.00 31.44 31.37 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 -0.38 3.21 0.21 3.49 2.36 -1.08 -5.03 119.74 122.52 2jpa s LYS 35 Ca 0.00 -0.60 -0.30 0.00 -2.55 0.00 0.00 55.97 52.52 2jpa s LYS 35 Cb 0.00 -4.03 -0.08 0.00 -1.05 0.00 0.00 37.83 32.67 2jpa s LYS 35 CO 0.00 -1.16 1.12 -1.25 1.55 0.00 0.00 175.35 175.61 2jpa s PRO 36 N 2.85 4.59 0.24 4.03 0.04 -1.26 -3.53 135.00 141.97 2jpa s PRO 36 Ca 0.20 1.78 0.05 0.00 0.04 0.00 0.00 61.00 63.06 2jpa s PRO 36 Cb -0.16 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.08 2jpa s PRO 36 CO 0.16 0.09 -0.03 0.71 0.04 0.00 0.00 177.00 177.97 2jpa s TYR 37 N -0.51 1.69 0.06 0.56 1.51 0.32 -4.99 117.35 115.99 2jpa s TYR 37 Ca 0.48 -0.84 0.04 0.00 -1.01 0.00 0.00 57.07 55.75 2jpa s TYR 37 Cb -0.31 -0.97 -0.03 0.00 -0.11 0.00 0.00 41.96 40.54 2jpa s TYR 37 CO 0.37 0.08 -0.12 -1.14 -1.11 0.00 0.00 175.55 173.63 2jpa s GLN 38 N -3.81 0.72 0.46 -0.62 0.74 -1.26 -0.61 119.66 115.27 2jpa s GLN 38 Ca 0.28 -0.90 -0.25 0.00 0.05 0.00 0.00 55.36 54.55 2jpa s GLN 38 Cb 0.05 -0.64 -0.08 0.00 1.10 0.00 0.00 33.01 33.44 2jpa s GLN 38 CO 0.09 0.14 1.34 0.00 -0.55 0.00 0.00 175.29 176.31 2jpa n ASP 40 N -0.28 2.45 -4.73 0.00 5.75 -1.26 -4.87 116.55 113.61 2jpa n ASP 40 Ca 0.06 -1.73 -0.42 0.00 -0.01 0.00 0.00 54.79 52.70 2jpa n ASP 40 Cb 0.44 0.25 -0.03 0.00 -1.03 0.00 0.00 41.12 40.75 2jpa n ASP 40 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2jpa s PHE 41 N -2.26 2.90 -2.00 2.11 5.36 -1.26 -4.86 117.98 117.98 2jpa s PHE 41 Ca 0.23 0.49 0.11 0.00 -0.96 0.00 0.00 56.93 56.80 2jpa s PHE 41 Cb 0.19 -4.09 0.67 0.00 -0.34 0.00 0.00 43.02 39.45 2jpa s PHE 41 CO 0.45 -4.00 1.15 1.63 -1.46 0.00 0.00 175.22 172.98 2jpa n LYS 42 N 3.58 0.60 -0.08 10.12 4.76 -1.26 -1.71 118.16 134.18 2jpa n LYS 42 Ca 0.14 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.59 2jpa n LYS 42 Cb 0.36 -1.29 0.01 0.00 -1.84 0.00 0.00 35.03 32.27 2jpa n LYS 42 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2jpa n ASP 43 N -0.79 0.79 -4.97 4.39 9.92 -1.26 -5.09 116.55 119.54 2jpa n ASP 43 Ca 0.08 -1.62 -0.20 0.00 -0.53 0.00 0.00 54.79 52.53 2jpa n ASP 43 Cb 0.04 -0.07 0.01 0.00 -0.64 0.00 0.00 41.12 40.47 2jpa n ASP 43 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jpa n GLU 45 N -1.88 0.00 -4.17 0.00 0.00 -1.26 -4.94 120.64 108.38 2jpa n GLU 45 Ca 0.08 -0.87 -0.28 0.00 0.00 0.00 0.00 57.16 56.09 2jpa n GLU 45 Cb 0.61 0.45 -0.08 0.00 0.00 0.00 0.00 31.44 32.42 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 2.47 0.04 5.31 3.00 -1.26 -5.02 118.95 123.48 2jpa s ARG 46 Ca 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 55.73 54.77 2jpa s ARG 46 Cb 0.00 -2.44 -0.02 0.00 0.00 0.00 0.00 34.95 32.49 2jpa s ARG 46 CO 0.00 0.49 -0.08 -0.98 0.00 0.00 0.00 175.30 174.73 2jpa s ARG 47 N -2.68 0.57 0.27 3.54 1.70 -1.26 -1.52 118.95 119.57 2jpa s ARG 47 Ca 0.27 -0.68 0.06 0.00 -0.47 0.00 0.00 55.73 54.91 2jpa s ARG 47 Cb -0.10 -0.41 -0.06 0.00 -0.57 0.00 0.00 34.95 33.81 2jpa s ARG 47 CO 0.18 0.09 -0.05 -0.06 -1.08 0.00 0.00 175.30 174.38 2jpa s PHE 48 N -1.12 1.88 -1.25 5.89 0.08 0.22 -4.96 117.98 118.71 2jpa s PHE 48 Ca -0.06 -0.73 0.13 0.00 0.12 0.00 0.00 56.93 56.38 2jpa s PHE 48 Cb -0.09 -1.07 0.29 0.00 -0.57 0.00 0.00 43.02 41.59 2jpa s PHE 48 CO 0.01 0.23 1.20 0.45 -0.10 0.00 0.00 175.22 177.00 2jpa n SER 49 N -0.55 2.83 -3.68 1.36 2.88 -1.26 -0.52 113.62 114.67 2jpa n SER 49 Ca -0.05 -1.88 -0.15 0.00 -1.33 0.00 0.00 58.87 55.46 2jpa n SER 49 Cb 0.63 -0.20 -0.08 0.00 -0.75 0.00 0.00 64.21 63.82 2jpa n SER 49 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2jpa s ARG 50 N -1.03 0.79 0.24 -1.46 3.52 -1.23 -2.62 118.95 117.16 2jpa s ARG 50 Ca 0.24 -0.03 -0.06 0.00 -0.13 0.00 0.00 55.73 55.75 2jpa s ARG 50 Cb 0.13 0.36 0.28 0.00 -1.56 0.00 0.00 34.95 34.16 2jpa s ARG 50 CO 0.18 -0.23 1.89 0.66 -0.81 0.00 0.00 175.30 176.99 2jpa h SER 51 N 3.62 0.96 -0.66 -2.12 4.64 -1.84 -1.79 113.55 116.36 2jpa h SER 51 Ca -0.29 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 60.97 2jpa h SER 51 Cb 1.16 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 63.01 2jpa h SER 51 CO 0.39 0.66 0.20 -0.78 -0.87 0.00 0.00 176.83 176.43 2jpa h ASP 52 N 1.12 0.99 -0.06 4.97 3.58 -1.96 0.23 116.42 125.29 2jpa h ASP 52 Ca 0.36 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 2jpa h ASP 52 Cb 0.01 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 40.79 2jpa h ASP 52 CO -0.12 0.93 0.04 1.56 -2.88 0.00 0.00 179.24 178.77 2jpa h GLN 53 N 1.02 0.09 -0.40 0.28 4.20 -1.81 -0.01 115.11 118.46 2jpa h GLN 53 Ca 0.22 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 2jpa h GLN 53 Cb 0.31 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2jpa h GLN 53 CO -0.00 0.13 0.20 1.25 -0.67 0.00 0.00 178.83 179.74 2jpa h LEU 54 N 0.02 0.52 -0.90 1.46 5.85 -1.09 -0.04 115.31 121.13 2jpa h LEU 54 Ca 0.02 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2jpa h LEU 54 Cb 0.07 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 2jpa h LEU 54 CO -0.00 0.49 0.53 0.11 -0.34 0.00 0.00 178.44 179.23 2jpa h LYS 55 N 0.51 1.22 -0.43 1.25 1.57 -0.36 0.19 116.57 120.53 2jpa h LYS 55 Ca 0.14 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 2jpa h LYS 55 Cb 0.10 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 2jpa h LYS 55 CO -0.02 0.86 -0.19 0.00 -0.57 0.00 0.00 179.45 179.53 2jpa h ARG 56 N 1.24 0.89 -0.75 3.15 3.08 -0.85 -3.03 114.38 118.10 2jpa h ARG 56 Ca 0.32 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2jpa h ARG 56 Cb -0.04 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 2jpa h ARG 56 CO -0.06 1.03 0.45 1.25 -1.07 0.00 0.00 179.97 181.57 2jpa h HIS 57 N 0.71 0.98 -0.83 3.04 2.76 -0.28 -1.47 115.15 120.07 2jpa h HIS 57 Ca 0.10 0.00 0.17 0.00 -2.20 0.00 0.00 60.37 58.44 2jpa h HIS 57 Cb 0.76 -0.32 -0.06 0.00 1.55 0.00 0.00 27.41 29.33 2jpa h HIS 57 CO 0.06 0.65 0.55 1.96 -1.30 0.00 0.00 177.93 179.85 2jpa h GLN 58 N 1.03 0.42 -0.66 5.26 1.08 -0.52 -0.29 115.11 121.44 2jpa h GLN 58 Ca 0.27 -0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.58 2jpa h GLN 58 Cb -0.05 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.25 2jpa h GLN 58 CO -0.05 0.28 0.45 0.00 -0.95 0.00 0.00 178.83 178.55 2jpa h ARG 59 N 0.43 0.32 -0.19 1.46 2.47 -1.28 0.14 114.38 117.73 2jpa h ARG 59 Ca 0.42 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 59.12 2jpa h ARG 59 Cb 0.98 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.21 2jpa h ARG 59 CO -0.15 0.21 0.11 -0.09 0.56 0.00 0.00 179.97 180.61 2jpa h ARG 60 N 0.33 0.25 0.02 0.04 2.43 -1.17 0.16 114.38 116.44 2jpa h ARG 60 Ca 0.32 -0.02 -0.37 0.00 -0.81 0.00 0.00 59.98 59.09 2jpa h ARG 60 Cb 0.78 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.21 2jpa h ARG 60 CO -0.08 0.18 -2.32 0.72 -1.51 0.00 0.00 179.97 176.96 2jpa n HIS 61 N -4.49 0.26 0.08 2.20 8.25 -0.13 -4.46 115.22 116.93 2jpa n HIS 61 Ca -0.00 0.07 -0.09 0.00 -0.26 0.00 0.00 57.72 57.44 2jpa n HIS 61 Cb 0.09 -1.04 -0.10 0.00 1.12 0.00 0.00 29.99 30.07 2jpa n HIS 61 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 2jpa h THR 62 N 0.01 1.64 0.00 1.59 1.35 -0.78 -3.47 112.91 113.25 2jpa h THR 62 Ca -0.53 -3.20 0.00 0.00 -0.55 0.00 0.00 66.41 62.14 2jpa h THR 62 Cb 2.03 2.79 0.00 0.00 -1.73 0.00 0.00 68.15 71.24 2jpa h THR 62 CO -0.02 0.92 0.00 0.61 -0.25 0.00 0.00 175.52 176.78 2jpa n GLY 63 N 1.28 1.01 3.75 5.82 0.00 0.57 -4.98 105.19 112.63 2jpa n GLY 63 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2jpa n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jpa s VAL 64 N -3.31 2.95 -0.53 1.61 0.11 -1.26 -5.00 120.40 114.97 2jpa s VAL 64 Ca 0.00 0.87 0.04 0.00 -2.93 0.00 0.00 61.98 59.96 2jpa s VAL 64 Cb 0.00 -3.55 0.16 0.00 -1.53 0.00 0.00 36.38 31.46 2jpa s VAL 64 CO 0.00 0.17 0.39 -0.54 -3.33 0.00 0.00 175.10 171.78 2jpa s LYS 65 N -0.96 1.54 0.29 1.54 1.02 -1.26 -4.51 119.74 117.41 2jpa s LYS 65 Ca 0.53 -2.56 0.25 0.00 0.02 0.00 0.00 55.97 54.21 2jpa s LYS 65 Cb -0.38 -2.30 0.71 0.00 -0.52 0.00 0.00 37.83 35.34 2jpa s LYS 65 CO 0.45 -1.32 1.73 -1.00 -0.92 0.00 0.00 175.35 174.30 2jpa h PRO 66 N 5.70 0.00 -5.16 -1.68 0.13 -1.86 -3.39 132.00 125.75 2jpa h PRO 66 Ca 0.18 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.65 2jpa h PRO 66 Cb 0.85 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.82 2jpa h PRO 66 CO 0.52 0.00 0.50 -0.06 -0.23 0.00 0.00 178.00 178.72 2jpa s PHE 67 N -3.16 2.85 -0.13 1.56 0.08 -0.55 -4.95 117.98 113.69 2jpa s PHE 67 Ca 0.09 -0.84 -0.06 0.00 0.12 0.00 0.00 56.93 56.24 2jpa s PHE 67 Cb 0.10 -4.22 -0.04 0.00 -0.57 0.00 0.00 43.02 38.29 2jpa s PHE 67 CO 0.60 -1.53 0.09 -1.14 -0.10 0.00 0.00 175.22 173.15 2jpa s GLN 68 N 3.41 3.49 0.32 0.44 0.74 -1.26 -0.02 119.66 126.77 2jpa s GLN 68 Ca 0.22 -0.25 -0.29 0.00 0.05 0.00 0.00 55.36 55.09 2jpa s GLN 68 Cb -0.16 -3.11 -0.10 0.00 1.10 0.00 0.00 33.01 30.74 2jpa s GLN 68 CO 0.05 0.62 1.38 0.00 -0.55 0.00 0.00 175.29 176.80 2jpa h LYS 70 N 3.72 0.00 0.00 0.00 1.57 -1.96 -2.87 116.57 117.03 2jpa h LYS 70 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2jpa h LYS 70 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2jpa h LYS 70 CO 0.68 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.81 2jpa n THR 71 N -3.04 0.00 1.26 -0.16 -2.24 -1.26 -4.69 114.28 104.15 2jpa n THR 71 Ca 0.01 0.23 0.14 0.00 -2.27 0.00 0.00 64.05 62.16 2jpa n THR 71 Cb 0.31 -1.21 0.70 0.00 -2.10 0.00 0.00 70.33 68.04 2jpa n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jpa n GLN 73 N -1.36 -1.17 -2.36 0.00 1.13 -1.08 -4.98 117.38 107.55 2jpa n GLN 73 Ca 0.11 1.05 -0.40 0.00 -1.94 0.00 0.00 57.00 55.82 2jpa n GLN 73 Cb 0.28 -5.28 -0.03 0.00 0.11 0.00 0.00 30.24 25.32 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 -3.58 4.44 -0.04 -1.09 3.52 -1.26 -4.60 118.95 116.34 2jpa s ARG 74 Ca 0.00 1.89 0.01 0.00 -0.13 0.00 0.00 55.73 57.50 2jpa s ARG 74 Cb 0.00 -3.03 -0.03 0.00 -1.56 0.00 0.00 34.95 30.33 2jpa s ARG 74 CO 0.00 0.00 -0.03 0.15 -0.81 0.00 0.00 175.30 174.61 2jpa s LYS 75 N -1.75 2.76 0.18 5.12 3.01 -1.26 -0.07 119.74 127.73 2jpa s LYS 75 Ca 0.49 -0.57 0.03 0.00 -1.01 0.00 0.00 55.97 54.90 2jpa s LYS 75 Cb -0.33 -2.64 -0.05 0.00 -1.01 0.00 0.00 37.83 33.81 2jpa s LYS 75 CO 0.42 0.65 -0.03 -0.06 0.51 0.00 0.00 175.35 176.85 2jpa s PHE 76 N -0.94 1.31 -1.53 3.18 0.08 0.97 -4.98 117.98 116.08 2jpa s PHE 76 Ca 0.15 -0.92 0.13 0.00 0.12 0.00 0.00 56.93 56.41 2jpa s PHE 76 Cb -0.11 -0.74 0.15 0.00 -0.57 0.00 0.00 43.02 41.75 2jpa s PHE 76 CO 0.05 -0.09 0.99 0.43 -0.10 0.00 0.00 175.22 176.50 2jpa n SER 77 N -0.28 2.28 -3.83 1.36 7.64 -1.26 -1.48 113.62 118.05 2jpa n SER 77 Ca -0.07 -1.63 -0.15 0.00 1.01 0.00 0.00 58.87 58.03 2jpa n SER 77 Cb 0.63 -0.05 -0.15 0.00 -1.01 0.00 0.00 64.21 63.62 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 -1.07 0.14 0.36 1.43 0.52 -1.26 -4.90 118.95 114.16 2jpa s ARG 78 Ca 0.17 0.07 0.06 0.00 -0.52 0.00 0.00 55.73 55.52 2jpa s ARG 78 Cb 0.11 -0.30 0.68 0.00 0.52 0.00 0.00 34.95 35.96 2jpa s ARG 78 CO 0.17 -0.10 1.91 0.66 0.02 0.00 0.00 175.30 177.96 2jpa h SER 79 N 6.93 0.44 -0.63 0.23 4.64 -1.97 -1.18 113.55 122.01 2jpa h SER 79 Ca -0.39 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 60.81 2jpa h SER 79 Cb 1.15 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.09 2jpa h SER 79 CO 0.49 0.50 0.21 -2.24 -0.87 0.00 0.00 176.83 174.92 2jpa h ASP 80 N 0.47 0.93 0.32 4.97 3.04 -1.99 0.12 116.42 124.28 2jpa h ASP 80 Ca 0.10 -0.16 -0.21 0.00 -3.24 0.00 0.00 57.03 53.53 2jpa h ASP 80 Cb 0.27 -0.24 -0.00 0.00 -1.04 0.00 0.00 39.33 38.32 2jpa h ASP 80 CO 0.01 0.86 -0.85 0.45 -2.04 0.00 0.00 179.24 177.66 2jpa h HIS 81 N 0.97 0.57 -0.15 4.15 3.86 -1.88 -1.30 115.15 121.36 2jpa h HIS 81 Ca 0.22 -0.29 -0.02 0.00 -1.16 0.00 0.00 60.37 59.12 2jpa h HIS 81 Cb 0.26 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 2jpa h HIS 81 CO 0.02 1.08 0.02 1.25 0.86 0.00 0.00 177.93 181.16 2jpa h LEU 82 N 0.24 0.25 -1.04 2.43 6.46 -0.85 0.33 115.31 123.13 2jpa h LEU 82 Ca -0.06 -0.27 -0.01 0.00 -0.12 0.00 0.00 57.88 57.42 2jpa h LEU 82 Cb 1.47 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 41.29 2jpa h LEU 82 CO 0.15 0.46 0.49 0.11 -0.62 0.00 0.00 178.44 179.02 2jpa h LYS 83 N 0.03 1.15 -0.04 1.25 1.57 -0.81 0.41 116.57 120.13 2jpa h LYS 83 Ca 0.05 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2jpa h LYS 83 Cb 0.32 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 2jpa h LYS 83 CO 0.00 0.82 0.01 1.15 -0.57 0.00 0.00 179.45 180.87 2jpa h THR 84 N 1.16 1.17 -0.62 -0.16 2.02 -1.01 -2.67 112.91 112.81 2jpa h THR 84 Ca 0.30 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 2jpa h THR 84 Cb -0.02 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 2jpa h THR 84 CO -0.05 0.14 0.33 -0.74 0.37 0.00 0.00 175.52 175.56 2jpa h HIS 85 N -0.13 0.84 -0.92 3.16 -0.00 -0.06 -1.67 115.15 116.38 2jpa h HIS 85 Ca 0.01 -0.02 0.12 0.00 -0.00 0.00 0.00 60.37 60.48 2jpa h HIS 85 Cb 0.21 -0.27 -0.08 0.00 -0.00 0.00 0.00 27.41 27.27 2jpa h HIS 85 CO -0.00 0.60 0.55 1.15 -0.00 0.00 0.00 177.93 180.22 2jpa h THR 86 N 0.86 0.88 0.00 6.26 2.02 0.08 -0.73 112.91 122.29 2jpa h THR 86 Ca 0.22 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 2jpa h THR 86 Cb 0.04 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.40 2jpa h THR 86 CO -0.03 0.16 -0.05 0.03 0.37 0.00 0.00 175.52 175.99 2jpa h ARG 87 N 0.86 0.00 0.00 6.66 3.08 -0.97 -0.10 114.38 123.92 2jpa h ARG 87 Ca 0.46 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.51 2jpa h ARG 87 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 2jpa h ARG 87 CO -0.28 0.05 -0.01 1.79 -1.07 0.00 0.00 179.97 180.46 2jpa h THR 88 N 0.00 0.71 0.00 2.04 1.35 -1.18 0.10 112.91 115.93 2jpa h THR 88 Ca -0.00 -0.03 -0.20 0.00 -0.55 0.00 0.00 66.41 65.63 2jpa h THR 88 Cb 0.23 1.02 -0.04 0.00 -1.73 0.00 0.00 68.15 67.63 2jpa h THR 88 CO 0.01 0.01 -1.72 1.41 -0.25 0.00 0.00 175.52 174.98 2jpa n HIS 89 N -4.10 0.65 1.15 4.73 8.25 -0.08 -4.24 115.22 121.58 2jpa n HIS 89 Ca -0.03 0.22 0.12 0.00 -0.26 0.00 0.00 57.72 57.77 2jpa n HIS 89 Cb 0.09 -1.00 0.28 0.00 1.12 0.00 0.00 29.99 30.49 2jpa n HIS 89 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2jpa n THR 90 N -2.79 0.00 -1.02 1.59 -2.24 -0.80 -4.94 114.28 104.08 2jpa n THR 90 Ca -0.14 -0.11 -0.01 0.00 -2.27 0.00 0.00 64.05 61.52 2jpa n THR 90 Cb 0.89 0.48 -0.00 0.00 -2.10 0.00 0.00 70.33 69.60 2jpa n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jpa n GLY 91 N 1.39 0.18 3.55 3.38 0.00 -0.04 -4.91 105.19 108.74 2jpa n GLY 91 Ca 0.10 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.67 2.69 -0.63 1.61 2.12 -1.18 -4.92 118.70 116.72 2jpa s GLU 92 Ca 0.00 0.54 0.05 0.00 0.36 0.00 0.00 54.97 55.91 2jpa s GLU 92 Cb 0.00 -4.37 0.16 0.00 0.26 0.00 0.00 34.13 30.18 2jpa s GLU 92 CO 0.00 -2.67 0.43 0.15 -0.54 0.00 0.00 175.26 172.63 2jpa s LYS 93 N 6.90 2.18 0.18 4.30 1.02 -1.26 -4.35 119.74 128.71 2jpa s LYS 93 Ca 0.64 -3.05 0.25 0.00 0.02 0.00 0.00 55.97 53.83 2jpa s LYS 93 Cb -0.12 -3.17 0.50 0.00 -0.52 0.00 0.00 37.83 34.51 2jpa s LYS 93 CO 0.20 -1.26 1.49 -1.00 -0.92 0.00 0.00 175.35 173.87 2jpa h PRO 94 N 5.68 0.00 -5.12 -1.68 0.13 -1.83 -3.39 132.00 125.79 2jpa h PRO 94 Ca 0.11 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.52 2jpa h PRO 94 Cb 0.80 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.79 2jpa h PRO 94 CO 0.67 0.00 1.72 1.19 -0.23 0.00 0.00 178.00 181.35 2jpa n PHE 95 N -2.27 4.79 -2.99 1.56 3.72 -0.36 -4.91 117.46 117.00 2jpa n PHE 95 Ca 0.04 -3.15 -0.37 0.00 -0.05 0.00 0.00 57.45 53.92 2jpa n PHE 95 Cb 0.45 -2.35 -0.06 0.00 -0.94 0.00 0.00 39.48 36.57 2jpa n PHE 95 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2jpa s SER 96 N 3.29 7.20 0.71 4.37 1.04 -1.26 -0.91 113.70 128.14 2jpa s SER 96 Ca 0.47 1.58 -0.13 0.00 0.48 0.00 0.00 55.95 58.35 2jpa s SER 96 Cb 0.00 -2.48 0.03 0.00 0.10 0.00 0.00 66.02 63.67 2jpa s SER 96 CO 0.03 0.03 1.09 0.00 0.98 0.00 0.00 173.24 175.38 2jpa n ARG 98 N -2.97 0.43 -1.35 0.00 0.00 -1.26 -4.41 116.66 107.09 2jpa n ARG 98 Ca 0.09 -1.11 -0.36 0.00 -0.00 0.00 0.00 57.85 56.48 2jpa n ARG 98 Cb 0.53 -0.68 0.09 0.00 0.00 0.00 0.00 32.46 32.39 2jpa n ARG 98 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 2jpa n TRP 99 N -0.24 0.76 0.57 -0.14 7.02 -1.26 -4.82 117.44 119.32 2jpa n TRP 99 Ca 0.02 0.40 0.00 0.00 -1.02 0.00 0.00 57.50 56.90 2jpa n TRP 99 Cb 0.59 -2.09 0.00 0.00 -2.42 0.00 0.00 31.31 27.39 2jpa n TRP 99 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 2jpa n PRO 100 N -1.95 0.57 -0.81 -0.99 -0.04 -1.26 -2.13 135.00 128.39 2jpa n PRO 100 Ca 0.13 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.55 2jpa n PRO 100 Cb 0.49 -1.27 -0.05 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.35 -0.65 -4.06 3.54 7.64 -1.26 -5.15 113.62 114.03 2jpa n SER 101 Ca 0.00 -1.49 -0.09 0.00 1.01 0.00 0.00 58.87 58.30 2jpa n SER 101 Cb 0.18 0.19 -0.09 0.00 -1.01 0.00 0.00 64.21 63.49 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 -0.12 0.00 -2.00 0.00 7.27 -1.26 -4.50 117.38 116.76 2jpa n GLN 103 Ca -0.07 -0.64 -0.33 0.00 0.07 0.00 0.00 57.00 56.03 2jpa n GLN 103 Cb 0.63 0.37 0.02 0.00 2.41 0.00 0.00 30.24 33.67 2jpa n GLN 103 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2jpa s LYS 104 N 0.00 3.25 0.07 3.69 1.02 -1.26 -4.67 119.74 121.84 2jpa s LYS 104 Ca 0.00 1.22 0.07 0.00 0.02 0.00 0.00 55.97 57.28 2jpa s LYS 104 Cb 0.00 -2.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 2jpa s LYS 104 CO 0.00 -0.87 -0.18 0.15 -0.92 0.00 0.00 175.35 173.53 2jpa s LYS 105 N -4.10 1.05 0.12 1.68 1.02 -1.26 -0.01 119.74 118.24 2jpa s LYS 105 Ca 0.64 -0.98 0.03 0.00 0.02 0.00 0.00 55.97 55.68 2jpa s LYS 105 Cb -0.17 -1.17 -0.04 0.00 -0.52 0.00 0.00 37.83 35.94 2jpa s LYS 105 CO 0.38 0.28 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.94 2jpa s PHE 106 N -1.06 1.09 -2.72 3.18 0.08 -0.09 -4.95 117.98 113.50 2jpa s PHE 106 Ca 0.03 -0.79 0.24 0.00 0.12 0.00 0.00 56.93 56.53 2jpa s PHE 106 Cb -0.09 -0.58 0.39 0.00 -0.57 0.00 0.00 43.02 42.17 2jpa s PHE 106 CO 0.03 -0.02 1.38 0.00 -0.10 0.00 0.00 175.22 176.51 2jpa n ALA 107 N 0.01 2.46 -2.76 5.36 0.00 -1.26 -1.22 120.51 123.09 2jpa n ALA 107 Ca -0.12 -0.77 -0.16 0.00 0.00 0.00 0.00 53.44 52.39 2jpa n ALA 107 Cb 0.60 -0.89 -0.14 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.80 0.49 0.12 0.00 0.52 -1.26 -4.88 118.95 112.13 2jpa s ARG 108 Ca 0.33 -0.30 -0.21 0.00 -0.52 0.00 0.00 55.73 55.04 2jpa s ARG 108 Cb 0.21 -0.44 -0.06 0.00 0.52 0.00 0.00 34.95 35.18 2jpa s ARG 108 CO 0.31 0.12 1.72 0.66 0.02 0.00 0.00 175.30 178.12 2jpa h SER 109 N 5.76 -0.09 -0.17 0.23 4.64 -1.96 -1.91 113.55 120.05 2jpa h SER 109 Ca -0.30 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.02 2jpa h SER 109 Cb 1.19 0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 2jpa h SER 109 CO 0.49 -0.03 -0.02 -2.24 -0.87 0.00 0.00 176.83 174.16 2jpa h ASP 110 N 0.03 0.41 -0.59 4.97 2.03 -1.98 0.92 116.42 122.20 2jpa h ASP 110 Ca 0.07 -0.07 -0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2jpa h ASP 110 Cb 0.10 -0.11 -0.03 0.00 -0.83 0.00 0.00 39.33 38.46 2jpa h ASP 110 CO -0.13 0.49 0.37 -0.33 -1.03 0.00 0.00 179.24 178.60 2jpa h GLU 111 N 0.42 0.79 -0.60 4.15 5.08 -1.87 0.11 114.58 122.67 2jpa h GLU 111 Ca 0.09 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 2jpa h GLU 111 Cb 0.31 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2jpa h GLU 111 CO 0.01 0.56 0.00 1.25 -1.00 0.00 0.00 179.01 179.83 2jpa h LEU 112 N 0.80 1.03 -0.42 1.33 5.85 -0.55 0.85 115.31 124.20 2jpa h LEU 112 Ca 0.21 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.67 2jpa h LEU 112 Cb -0.04 -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 0.22 0.58 -0.34 0.00 0.00 178.44 179.94 2jpa h VAL 113 N 0.96 0.99 -0.30 1.05 2.07 -0.37 0.11 116.25 120.77 2jpa h VAL 113 Ca 0.17 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2jpa h VAL 113 Cb 0.55 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2jpa h VAL 113 CO 0.03 0.08 0.14 -0.09 0.02 0.00 0.00 177.57 177.75 2jpa h ARG 114 N 0.44 0.43 -0.37 1.57 2.43 -0.62 -2.61 114.38 115.65 2jpa h ARG 114 Ca 0.18 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.33 2jpa h ARG 114 Cb 0.06 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 2jpa h ARG 114 CO -0.11 0.42 0.09 1.25 -1.51 0.00 0.00 179.97 180.11 2jpa h HIS 115 N 0.34 0.15 -0.59 2.20 2.76 -0.25 0.42 115.15 120.18 2jpa h HIS 115 Ca 0.10 0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.38 2jpa h HIS 115 Cb 0.14 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.05 2jpa h HIS 115 CO -0.01 0.03 0.39 0.45 -1.30 0.00 0.00 177.93 177.49 2jpa h HIS 116 N 0.22 0.45 0.00 5.26 3.86 -0.70 0.93 115.15 125.16 2jpa h HIS 116 Ca 0.17 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2jpa h HIS 116 Cb 0.19 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.52 2jpa h HIS 116 CO -0.18 0.22 0.00 -0.97 0.86 0.00 0.00 177.93 177.86 2jpa h ASN 117 N 0.43 0.00 1.50 2.45 -0.00 -0.53 -1.54 115.58 117.89 2jpa h ASN 117 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.57 2jpa h ASN 117 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.81 2jpa h ASN 117 CO -0.07 0.00 0.00 0.24 -0.00 0.00 0.00 177.43 177.60 2jpa h MET 118 N 0.00 0.00 -0.01 6.67 2.86 -0.41 -3.51 114.93 120.52 2jpa h MET 118 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2jpa h MET 118 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 2jpa h MET 118 CO 0.00 0.00 0.00 0.72 1.06 0.00 0.00 176.91 178.69