#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 0.69 -4.55 0.00 3.41 -1.26 -5.09 113.62 106.82 2jpa n SER 2 Ca 0.00 -1.86 -0.25 0.00 -0.26 0.00 0.00 58.87 56.50 2jpa n SER 2 Cb 0.00 -0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 63.71 2jpa n SER 2 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2jpa s GLU 3 N -0.63 1.86 0.38 4.33 8.01 -1.26 -5.12 118.70 126.27 2jpa s GLU 3 Ca 0.05 -1.82 -0.27 0.00 0.01 0.00 0.00 54.97 52.94 2jpa s GLU 3 Cb 0.05 -1.80 -0.09 0.00 -4.31 0.00 0.00 34.13 27.98 2jpa s GLU 3 CO 0.00 0.21 1.29 0.15 0.01 0.00 0.00 175.26 176.92 2jpa s LYS 4 N -3.61 4.13 -0.56 1.61 -0.14 -1.26 -5.01 119.74 114.90 2jpa s LYS 4 Ca 0.32 2.14 0.05 0.00 -1.36 0.00 0.00 55.97 57.12 2jpa s LYS 4 Cb -0.01 -2.87 0.17 0.00 -1.68 0.00 0.00 37.83 33.45 2jpa s LYS 4 CO 0.17 -0.35 0.43 0.54 -0.76 0.00 0.00 175.35 175.37 2jpa n ARG 5 N 0.38 1.06 -0.10 1.68 1.74 -1.26 -4.86 116.66 115.30 2jpa n ARG 5 Ca 0.02 -3.86 -0.06 0.00 -0.77 0.00 0.00 57.85 53.19 2jpa n ARG 5 Cb 0.43 -1.98 0.01 0.00 -1.02 0.00 0.00 32.46 29.90 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 5.46 0.08 -5.53 5.56 0.11 -1.93 -3.44 132.00 132.32 2jpa h PRO 6 Ca 0.21 -0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.83 2jpa h PRO 6 Cb 0.83 -0.02 -0.14 0.00 0.11 0.00 0.00 31.00 31.78 2jpa h PRO 6 CO 0.55 0.05 -0.69 -0.06 -0.21 0.00 0.00 178.00 177.64 2jpa s PHE 7 N -6.19 1.87 0.09 0.65 0.40 -0.29 -5.00 117.98 109.51 2jpa s PHE 7 Ca -0.13 -0.66 0.02 0.00 -0.60 0.00 0.00 56.93 55.55 2jpa s PHE 7 Cb 0.13 -1.01 -0.04 0.00 0.51 0.00 0.00 43.02 42.61 2jpa s PHE 7 CO 0.70 0.30 -0.06 -1.64 0.70 0.00 0.00 175.22 175.22 2jpa s MET 8 N -3.70 0.77 0.35 0.44 -1.94 -1.26 -0.46 119.30 113.50 2jpa s MET 8 Ca 0.27 -1.25 -0.27 0.00 -1.71 0.00 0.00 55.69 52.74 2jpa s MET 8 Cb 0.02 -0.18 -0.09 0.00 2.01 0.00 0.00 34.83 36.60 2jpa s MET 8 CO 0.10 -0.02 1.13 0.00 -0.01 0.00 0.00 175.02 176.23 2jpa n ALA 10 N 0.48 2.72 -2.68 0.00 0.00 -1.26 -3.81 120.51 115.96 2jpa n ALA 10 Ca 0.02 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 2jpa n ALA 10 Cb 0.46 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.17 3.44 0.59 0.00 5.04 -1.26 -4.94 117.35 118.05 2jpa s TYR 11 Ca 0.35 1.49 0.28 0.00 -2.44 0.00 0.00 57.07 56.76 2jpa s TYR 11 Cb 0.21 -3.18 1.62 0.00 0.35 0.00 0.00 41.96 40.96 2jpa s TYR 11 CO 0.40 -0.30 2.07 -1.35 -1.34 0.00 0.00 175.55 175.03 2jpa h PRO 12 N 7.25 0.00 -0.00 4.97 0.11 -2.01 0.84 132.00 143.16 2jpa h PRO 12 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2jpa h PRO 12 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2jpa h PRO 12 CO 0.89 0.00 -0.21 0.41 -0.21 0.00 0.00 178.00 178.88 2jpa n GLY 13 N -1.43 -0.88 0.15 -0.55 0.00 -1.26 -4.64 105.19 96.58 2jpa n GLY 13 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.42 -4.95 -4.87 0.00 3.02 -0.71 -4.96 115.26 101.37 2jpa n ASN 15 Ca 0.00 0.44 -0.30 0.00 -0.03 0.00 0.00 54.58 54.69 2jpa n ASN 15 Cb 0.00 -4.34 0.05 0.00 -0.61 0.00 0.00 39.78 34.88 2jpa n ASN 15 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2jpa s LYS 16 N -3.49 2.77 0.19 3.52 -0.14 -1.26 -4.54 119.74 116.79 2jpa s LYS 16 Ca 0.00 0.49 0.02 0.00 -1.36 0.00 0.00 55.97 55.12 2jpa s LYS 16 Cb 0.00 -2.01 -0.04 0.00 -1.68 0.00 0.00 37.83 34.10 2jpa s LYS 16 CO 0.00 -1.10 0.34 -0.98 -0.76 0.00 0.00 175.35 172.85 2jpa s ARG 17 N -5.33 3.47 0.21 1.68 3.03 -1.26 0.09 118.95 120.83 2jpa s ARG 17 Ca 0.58 -0.53 -0.03 0.00 2.03 0.00 0.00 55.73 57.78 2jpa s ARG 17 Cb -0.11 -2.90 -0.03 0.00 -1.03 0.00 0.00 34.95 30.88 2jpa s ARG 17 CO 0.52 0.45 0.19 0.71 -1.13 0.00 0.00 175.30 176.04 2jpa s TYR 18 N -1.86 1.03 -0.04 5.89 1.51 0.39 -4.90 117.35 119.37 2jpa s TYR 18 Ca 0.36 -1.27 -0.01 0.00 -1.01 0.00 0.00 57.07 55.14 2jpa s TYR 18 Cb -0.11 -0.43 -0.02 0.00 -0.11 0.00 0.00 41.96 41.29 2jpa s TYR 18 CO 0.29 -0.70 -0.05 0.34 -1.11 0.00 0.00 175.55 174.32 2jpa n PHE 19 N -0.29 0.00 -3.17 2.71 -0.00 -1.26 -1.14 117.46 114.31 2jpa n PHE 19 Ca 0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.05 2jpa n PHE 19 Cb 0.65 -0.15 -0.07 0.00 -0.00 0.00 0.00 39.48 39.91 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 -2.08 3.79 0.28 -4.13 1.02 -1.26 -4.72 119.74 112.65 2jpa s LYS 20 Ca -0.06 0.10 0.02 0.00 0.02 0.00 0.00 55.97 56.06 2jpa s LYS 20 Cb 0.02 -3.76 0.68 0.00 -0.52 0.00 0.00 37.83 34.25 2jpa s LYS 20 CO 0.08 -0.60 1.70 1.37 -0.92 0.00 0.00 175.35 176.98 2jpa h LEU 21 N 9.13 0.28 -0.20 3.17 -0.00 -1.99 0.17 115.31 125.88 2jpa h LEU 21 Ca -0.27 0.15 -0.05 0.00 -0.00 0.00 0.00 57.88 57.71 2jpa h LEU 21 Cb 1.12 0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.92 2jpa h LEU 21 CO 0.79 -0.00 -0.08 0.77 -0.00 0.00 0.00 178.44 179.92 2jpa h SER 22 N 0.39 0.41 0.18 0.17 4.64 -1.98 0.15 113.55 117.50 2jpa h SER 22 Ca 0.54 -0.40 -0.05 0.00 -0.47 0.00 0.00 61.79 61.41 2jpa h SER 22 Cb 0.99 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 2jpa h SER 22 CO -0.52 0.72 -0.20 1.12 -0.87 0.00 0.00 176.83 177.07 2jpa h HIS 23 N 0.10 0.05 -0.17 4.77 2.07 -1.55 0.22 115.15 120.65 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 0.55 -0.01 0.01 0.00 2.57 0.00 0.00 27.41 30.53 2jpa h HIS 23 CO 0.06 0.25 -0.75 1.25 -3.07 0.00 0.00 177.93 175.67 2jpa h LEU 24 N 0.05 0.94 -0.91 6.12 7.12 -0.65 -1.61 115.31 126.37 2jpa h LEU 24 Ca 0.01 -0.60 0.04 0.00 0.13 0.00 0.00 57.88 57.46 2jpa h LEU 24 Cb 0.38 -0.28 -0.06 0.00 -0.53 0.00 0.00 40.66 40.18 2jpa h LEU 24 CO 0.03 1.40 0.58 -0.61 -0.13 0.00 0.00 178.44 179.71 2jpa h GLN 25 N 0.55 1.07 -0.17 1.25 -0.00 0.61 0.28 115.11 118.71 2jpa h GLN 25 Ca -0.04 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 58.54 2jpa h GLN 25 Cb 1.37 -0.24 -0.01 0.00 0.00 0.00 0.00 27.48 28.60 2jpa h GLN 25 CO 0.16 0.71 0.09 1.98 0.00 0.00 0.00 178.83 181.77 2jpa h MET 26 N 1.10 0.23 -0.91 1.69 4.05 -0.57 -2.50 114.93 118.02 2jpa h MET 26 Ca 0.37 -0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.81 2jpa h MET 26 Cb 0.06 -0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 30.76 2jpa h MET 26 CO -0.14 0.24 0.59 1.25 0.23 0.00 0.00 176.91 179.07 2jpa h HIS 27 N 0.17 1.09 -0.51 1.39 -0.00 -0.24 -0.89 115.15 116.16 2jpa h HIS 27 Ca 0.06 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.49 2jpa h HIS 27 Cb 0.07 -0.36 -0.03 0.00 -0.00 0.00 0.00 27.41 27.09 2jpa h HIS 27 CO -0.04 0.60 0.34 0.66 -0.00 0.00 0.00 177.93 179.49 2jpa h SER 28 N 1.10 0.51 -0.92 3.26 4.64 -0.18 -1.37 113.55 120.59 2jpa h SER 28 Ca 0.38 -0.01 0.11 0.00 -0.47 0.00 0.00 61.79 61.80 2jpa h SER 28 Cb 0.08 -0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 61.98 2jpa h SER 28 CO -0.14 0.35 0.59 -0.09 -0.87 0.00 0.00 176.83 176.67 2jpa h ARG 29 N 0.59 0.85 -0.56 4.77 1.12 -0.72 -0.00 114.38 120.43 2jpa h ARG 29 Ca 0.21 -0.05 0.06 0.00 -1.11 0.00 0.00 59.98 59.08 2jpa h ARG 29 Cb 0.08 -0.19 -0.05 0.00 -0.01 0.00 0.00 29.97 29.80 2jpa h ARG 29 CO -0.05 0.57 0.27 -0.22 -3.11 0.00 0.00 179.97 177.43 2jpa h LYS 30 N 0.88 0.50 0.00 0.20 1.63 -1.30 -2.68 116.57 115.81 2jpa h LYS 30 Ca 0.44 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.20 2jpa h LYS 30 Cb 0.48 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.00 2jpa h LYS 30 CO -0.20 0.33 -0.06 0.45 -3.45 0.00 0.00 179.45 176.52 2jpa h HIS 31 N 0.51 0.00 -0.03 1.91 3.86 -1.08 -2.86 115.15 117.47 2jpa h HIS 31 Ca 0.26 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.48 2jpa h HIS 31 Cb 0.20 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.67 2jpa h HIS 31 CO -0.11 0.06 0.39 1.79 0.86 0.00 0.00 177.93 180.91 2jpa h THR 32 N 0.00 0.02 -0.15 2.45 1.35 -1.28 0.22 112.91 115.53 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 0.63 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 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 -1.26 4.12 0.29 5.82 0.00 -1.08 -4.59 105.19 108.49 2jpa n GLY 33 Ca -0.01 -0.90 0.03 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.74 0.49 -3.97 1.61 -0.58 0.77 -4.78 120.64 113.43 2jpa n GLU 34 Ca 0.16 -1.07 -0.32 0.00 -0.42 0.00 0.00 57.16 55.51 2jpa n GLU 34 Cb 0.69 -1.13 -0.14 0.00 -0.57 0.00 0.00 31.44 30.28 2jpa n GLU 34 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2jpa s LYS 35 N -0.64 1.59 0.69 3.49 -2.85 -1.22 -5.08 119.74 115.72 2jpa s LYS 35 Ca 0.09 -1.86 -0.11 0.00 -1.00 0.00 0.00 55.97 53.09 2jpa s LYS 35 Cb 0.06 -3.28 0.00 0.00 -2.06 0.00 0.00 37.83 32.55 2jpa s LYS 35 CO 0.09 -0.96 1.07 -1.25 0.10 0.00 0.00 175.35 174.40 2jpa s PRO 36 N 0.95 3.03 0.38 1.78 0.04 -1.26 -4.51 135.00 135.40 2jpa s PRO 36 Ca 0.10 0.61 0.05 0.00 0.04 0.00 0.00 61.00 61.80 2jpa s PRO 36 Cb -0.20 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 2jpa s PRO 36 CO -0.07 -0.95 0.18 0.71 0.04 0.00 0.00 177.00 176.92 2jpa s TYR 37 N -3.26 1.76 0.09 0.56 1.51 0.89 -4.97 117.35 113.93 2jpa s TYR 37 Ca 0.57 -1.43 0.05 0.00 -1.01 0.00 0.00 57.07 55.25 2jpa s TYR 37 Cb -0.12 -0.99 -0.03 0.00 -0.11 0.00 0.00 41.96 40.71 2jpa s TYR 37 CO 0.53 -0.52 -0.12 -1.14 -1.11 0.00 0.00 175.55 173.19 2jpa s GLN 38 N -3.62 0.86 0.13 -0.62 0.74 -1.26 -1.10 119.66 114.78 2jpa s GLN 38 Ca 0.30 -1.07 -0.35 0.00 0.05 0.00 0.00 55.36 54.28 2jpa s GLN 38 Cb 0.02 -0.72 -0.16 0.00 1.10 0.00 0.00 33.01 33.25 2jpa s GLN 38 CO 0.19 0.14 1.37 0.00 -0.55 0.00 0.00 175.29 176.44 2jpa n ASP 40 N 2.60 0.00 0.06 0.00 2.03 -1.26 -3.29 116.55 116.69 2jpa n ASP 40 Ca 0.17 -1.00 0.08 0.00 0.52 0.00 0.00 54.79 54.56 2jpa n ASP 40 Cb 0.23 0.00 0.36 0.00 -0.72 0.00 0.00 41.12 40.98 2jpa n ASP 40 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2jpa n PHE 41 N -0.96 0.35 0.00 -0.67 7.35 -1.26 -4.87 117.46 117.39 2jpa n PHE 41 Ca 0.21 0.15 0.00 0.00 -0.76 0.00 0.00 57.45 57.04 2jpa n PHE 41 Cb 0.09 -0.74 0.00 0.00 0.35 0.00 0.00 39.48 39.19 2jpa n PHE 41 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2jpa n LYS 42 N -1.83 0.00 0.00 -4.13 4.76 -1.21 -4.32 118.16 111.43 2jpa n LYS 42 Ca 0.02 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.60 2jpa n LYS 42 Cb 0.15 0.00 0.77 0.00 -1.84 0.00 0.00 35.03 34.11 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 2.06 0.00 -4.89 4.39 2.03 -1.26 -4.81 116.55 114.06 2jpa n ASP 43 Ca 0.00 -0.54 -0.32 0.00 0.52 0.00 0.00 54.79 54.45 2jpa n ASP 43 Cb 0.00 -0.13 -0.05 0.00 -0.72 0.00 0.00 41.12 40.23 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 0.59 1.32 -3.13 0.00 -0.58 -1.26 -4.67 120.64 112.90 2jpa n GLU 45 Ca -0.08 -2.78 -0.39 0.00 -0.42 0.00 0.00 57.16 53.49 2jpa n GLU 45 Cb 0.52 -1.47 -0.05 0.00 -0.57 0.00 0.00 31.44 29.86 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 -2.84 4.39 0.07 3.49 3.00 -1.26 -4.96 118.95 120.83 2jpa s ARG 46 Ca 0.33 0.83 0.07 0.00 0.00 0.00 0.00 55.73 56.96 2jpa s ARG 46 Cb 0.31 -3.37 -0.04 0.00 0.00 0.00 0.00 34.95 31.85 2jpa s ARG 46 CO -0.01 0.27 -0.15 1.03 0.00 0.00 0.00 175.30 176.44 2jpa s ARG 47 N 0.09 2.09 -0.01 3.54 3.00 -1.26 -0.79 118.95 125.61 2jpa s ARG 47 Ca 0.34 -1.00 0.04 0.00 0.00 0.00 0.00 55.73 55.11 2jpa s ARG 47 Cb -0.18 -2.24 -0.01 0.00 0.00 0.00 0.00 34.95 32.51 2jpa s ARG 47 CO 0.18 0.53 -0.12 -0.06 0.00 0.00 0.00 175.30 175.83 2jpa s PHE 48 N -1.05 1.09 -1.36 -0.53 0.08 -0.26 -4.96 117.98 110.98 2jpa s PHE 48 Ca 0.17 -0.22 0.28 0.00 0.12 0.00 0.00 56.93 57.28 2jpa s PHE 48 Cb -0.11 -0.71 1.08 0.00 -0.57 0.00 0.00 43.02 42.71 2jpa s PHE 48 CO 0.08 -0.03 1.78 -1.13 -0.10 0.00 0.00 175.22 175.82 2jpa n SER 49 N 2.86 0.37 -3.97 1.36 3.41 -1.26 -0.08 113.62 116.32 2jpa n SER 49 Ca -0.15 -0.26 -0.09 0.00 -0.26 0.00 0.00 58.87 58.12 2jpa n SER 49 Cb 0.56 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.29 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 -2.70 0.41 0.22 4.33 3.52 -1.26 -4.03 118.95 119.43 2jpa s ARG 50 Ca 0.22 -0.66 -0.08 0.00 -0.13 0.00 0.00 55.73 55.08 2jpa s ARG 50 Cb 0.19 0.15 0.24 0.00 -1.56 0.00 0.00 34.95 33.97 2jpa s ARG 50 CO 0.53 -0.08 1.86 0.77 -0.81 0.00 0.00 175.30 177.57 2jpa h SER 51 N 4.29 0.80 -0.83 -2.12 0.02 -1.87 -1.76 113.55 112.07 2jpa h SER 51 Ca -0.32 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.61 2jpa h SER 51 Cb 1.20 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.53 2jpa h SER 51 CO 0.45 0.54 0.42 -0.78 -1.14 0.00 0.00 176.83 176.33 2jpa h ASP 52 N 0.94 1.07 -0.28 3.07 3.58 -1.97 1.00 116.42 123.83 2jpa h ASP 52 Ca 0.32 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 2jpa h ASP 52 Cb 0.05 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.81 2jpa h ASP 52 CO -0.12 0.88 0.16 1.56 -2.88 0.00 0.00 179.24 178.83 2jpa h GLN 53 N 1.18 0.39 -0.48 0.28 1.08 -1.78 0.21 115.11 115.99 2jpa h GLN 53 Ca 0.29 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.44 2jpa h GLN 53 Cb 0.08 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 2jpa h GLN 53 CO -0.04 0.34 0.29 1.25 -0.95 0.00 0.00 178.83 179.72 2jpa h LEU 54 N 0.34 0.57 -0.50 1.46 5.85 -0.97 0.13 115.31 122.20 2jpa h LEU 54 Ca 0.10 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2jpa h LEU 54 Cb 0.06 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2jpa h LEU 54 CO -0.02 0.46 0.31 0.11 -0.34 0.00 0.00 178.44 178.96 2jpa h LYS 55 N 0.64 0.67 -0.43 1.25 6.56 -0.43 -0.04 116.57 124.78 2jpa h LYS 55 Ca 0.17 -0.05 0.04 0.00 -1.06 0.00 0.00 60.65 59.75 2jpa h LYS 55 Cb -0.01 -0.14 -0.04 0.00 -0.57 0.00 0.00 32.23 31.46 2jpa h LYS 55 CO -0.03 0.47 0.20 0.00 -2.06 0.00 0.00 179.45 178.03 2jpa h ARG 56 N 0.67 0.39 -0.66 3.15 3.08 -0.39 -2.70 114.38 117.93 2jpa h ARG 56 Ca 0.18 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 2jpa h ARG 56 Cb -0.03 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 2jpa h ARG 56 CO -0.04 0.26 0.39 1.25 -1.07 0.00 0.00 179.97 180.76 2jpa h HIS 57 N 0.41 0.87 -0.94 3.04 2.76 -0.24 -1.41 115.15 119.64 2jpa h HIS 57 Ca 0.19 -0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.51 2jpa h HIS 57 Cb 0.11 -0.28 -0.08 0.00 1.55 0.00 0.00 27.41 28.71 2jpa h HIS 57 CO -0.11 0.59 0.60 1.96 -1.30 0.00 0.00 177.93 179.66 2jpa h GLN 58 N 0.91 0.73 -0.64 5.26 1.08 -0.68 0.38 115.11 122.15 2jpa h GLN 58 Ca 0.24 -0.04 0.12 0.00 -1.45 0.00 0.00 58.65 57.51 2jpa h GLN 58 Cb -0.02 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.21 2jpa h GLN 58 CO -0.04 0.48 0.43 0.00 -0.95 0.00 0.00 178.83 178.75 2jpa h ARG 59 N 0.75 0.34 -0.13 1.46 2.47 -1.26 0.16 114.38 118.18 2jpa h ARG 59 Ca 0.49 -0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 59.14 2jpa h ARG 59 Cb 0.74 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.98 2jpa h ARG 59 CO -0.25 0.23 -0.13 -0.09 0.56 0.00 0.00 179.97 180.29 2jpa h ARG 60 N 0.35 0.21 0.05 0.04 2.43 -1.01 0.97 114.38 117.42 2jpa h ARG 60 Ca 0.30 -0.04 -0.36 0.00 -0.81 0.00 0.00 59.98 59.07 2jpa h ARG 60 Cb 0.71 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.18 2jpa h ARG 60 CO -0.08 0.34 -2.13 0.72 -1.51 0.00 0.00 179.97 177.31 2jpa n HIS 61 N -4.29 0.68 0.17 2.20 8.25 -0.30 -4.30 115.22 117.64 2jpa n HIS 61 Ca -0.01 0.17 0.06 0.00 -0.26 0.00 0.00 57.72 57.69 2jpa n HIS 61 Cb 0.26 -1.10 0.14 0.00 1.12 0.00 0.00 29.99 30.41 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 0.03 0.59 0.00 1.59 1.35 -0.72 -3.47 112.91 112.28 2jpa h THR 62 Ca -0.46 -1.72 0.00 0.00 -0.55 0.00 0.00 66.41 63.69 2jpa h THR 62 Cb 2.03 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 70.64 2jpa h THR 62 CO 0.03 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 2jpa n GLY 63 N 0.99 2.17 3.76 5.82 0.00 0.33 -4.98 105.19 113.28 2jpa n GLY 63 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2jpa n GLY 63 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jpa s VAL 64 N -3.00 3.00 -0.52 1.61 -7.23 -1.25 -5.01 120.40 107.99 2jpa s VAL 64 Ca 0.00 0.94 0.04 0.00 -1.81 0.00 0.00 61.98 61.15 2jpa s VAL 64 Cb 0.00 -3.60 0.16 0.00 0.56 0.00 0.00 36.38 33.49 2jpa s VAL 64 CO 0.00 0.20 0.35 -0.54 -0.31 0.00 0.00 175.10 174.80 2jpa s LYS 65 N -1.23 1.59 0.41 4.82 1.02 -1.26 -4.66 119.74 120.44 2jpa s LYS 65 Ca 0.50 -2.49 0.24 0.00 0.02 0.00 0.00 55.97 54.25 2jpa s LYS 65 Cb -0.37 -2.48 0.50 0.00 -0.52 0.00 0.00 37.83 34.95 2jpa s LYS 65 CO 0.46 -1.26 1.66 -1.00 -0.92 0.00 0.00 175.35 174.30 2jpa h PRO 66 N 6.01 0.00 -5.73 -1.68 0.13 -1.86 -3.38 132.00 125.49 2jpa h PRO 66 Ca 0.11 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.63 2jpa h PRO 66 Cb 0.87 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.87 2jpa h PRO 66 CO 0.54 0.00 0.97 -0.06 -0.23 0.00 0.00 178.00 179.22 2jpa s PHE 67 N -3.23 2.65 -0.14 1.56 0.08 -0.52 -4.92 117.98 113.45 2jpa s PHE 67 Ca 0.07 -0.71 -0.10 0.00 0.12 0.00 0.00 56.93 56.32 2jpa s PHE 67 Cb 0.06 -4.47 -0.05 0.00 -0.57 0.00 0.00 43.02 38.00 2jpa s PHE 67 CO 0.65 -1.79 0.18 -1.14 -0.10 0.00 0.00 175.22 173.02 2jpa s GLN 68 N 4.36 3.85 0.52 0.44 0.74 -1.26 -0.08 119.66 128.23 2jpa s GLN 68 Ca 0.34 -0.08 -0.22 0.00 0.05 0.00 0.00 55.36 55.45 2jpa s GLN 68 Cb -0.08 -3.30 -0.06 0.00 1.10 0.00 0.00 33.01 30.67 2jpa s GLN 68 CO 0.01 0.53 1.26 0.00 -0.55 0.00 0.00 175.29 176.54 2jpa n LYS 70 N -0.89 0.14 0.00 0.00 4.76 -1.26 -3.14 118.16 117.77 2jpa n LYS 70 Ca 0.10 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 2jpa n LYS 70 Cb 0.47 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 2jpa n LYS 70 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2jpa n THR 71 N -1.35 0.00 1.16 -0.18 -1.04 -1.26 -4.63 114.28 106.97 2jpa n THR 71 Ca 0.07 0.47 0.13 0.00 -2.04 0.00 0.00 64.05 62.68 2jpa n THR 71 Cb 0.34 -1.46 0.48 0.00 -1.82 0.00 0.00 70.33 67.86 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 -1.24 -1.12 -1.75 0.00 1.13 -1.19 -4.99 117.38 108.22 2jpa n GLN 73 Ca 0.09 0.94 -0.32 0.00 -1.94 0.00 0.00 57.00 55.77 2jpa n GLN 73 Cb 0.32 -5.07 0.04 0.00 0.11 0.00 0.00 30.24 25.63 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 -3.01 3.08 0.01 -1.09 3.52 -1.26 -4.66 118.95 115.53 2jpa s ARG 74 Ca 0.00 1.05 0.08 0.00 -0.13 0.00 0.00 55.73 56.73 2jpa s ARG 74 Cb 0.00 -2.01 -0.02 0.00 -1.56 0.00 0.00 34.95 31.36 2jpa s ARG 74 CO 0.00 -0.99 -0.25 0.15 -0.81 0.00 0.00 175.30 173.39 2jpa s LYS 75 N -4.68 2.01 0.13 5.12 1.02 -1.26 0.07 119.74 122.16 2jpa s LYS 75 Ca 0.60 -0.99 0.03 0.00 0.02 0.00 0.00 55.97 55.63 2jpa s LYS 75 Cb -0.15 -2.04 -0.04 0.00 -0.52 0.00 0.00 37.83 35.08 2jpa s LYS 75 CO 0.48 0.54 -0.08 -0.06 -0.92 0.00 0.00 175.35 175.31 2jpa s PHE 76 N -0.70 1.15 -1.71 3.18 0.08 0.88 -4.98 117.98 115.87 2jpa s PHE 76 Ca 0.11 -0.82 0.17 0.00 0.12 0.00 0.00 56.93 56.51 2jpa s PHE 76 Cb -0.10 -0.61 0.03 0.00 -0.57 0.00 0.00 43.02 41.77 2jpa s PHE 76 CO 0.00 -0.01 0.93 -1.13 -0.10 0.00 0.00 175.22 174.92 2jpa n SER 77 N -0.16 1.87 -3.87 1.36 3.41 -1.26 -1.43 113.62 113.54 2jpa n SER 77 Ca -0.11 -1.44 -0.19 0.00 -0.26 0.00 0.00 58.87 56.88 2jpa n SER 77 Cb 0.61 0.36 -0.16 0.00 -0.26 0.00 0.00 64.21 64.76 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 -1.87 0.62 0.41 4.33 0.52 -1.26 -4.89 118.95 116.82 2jpa s ARG 78 Ca 0.16 -0.04 0.08 0.00 -0.52 0.00 0.00 55.73 55.40 2jpa s ARG 78 Cb 0.14 -0.69 0.88 0.00 0.52 0.00 0.00 34.95 35.80 2jpa s ARG 78 CO 0.38 -0.09 2.05 0.66 0.02 0.00 0.00 175.30 178.32 2jpa h SER 79 N 7.16 0.43 -0.17 0.23 4.64 -1.97 -1.19 113.55 122.68 2jpa h SER 79 Ca -0.40 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 60.82 2jpa h SER 79 Cb 1.15 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 2jpa h SER 79 CO 0.48 0.33 -0.14 -2.24 -0.87 0.00 0.00 176.83 174.39 2jpa h ASP 80 N 0.50 0.54 0.49 4.97 3.04 -1.98 0.17 116.42 124.16 2jpa h ASP 80 Ca 0.13 -0.15 -0.22 0.00 -3.24 0.00 0.00 57.03 53.56 2jpa h ASP 80 Cb -0.03 -0.14 -0.00 0.00 -1.04 0.00 0.00 39.33 38.11 2jpa h ASP 80 CO -0.03 0.70 -0.95 0.45 -2.04 0.00 0.00 179.24 177.38 2jpa h HIS 81 N 0.51 0.44 -0.12 4.15 3.86 -1.78 -0.95 115.15 121.26 2jpa h HIS 81 Ca 0.09 -0.25 -0.03 0.00 -1.16 0.00 0.00 60.37 59.02 2jpa h HIS 81 Cb 0.54 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.96 2jpa h HIS 81 CO 0.02 1.08 -0.03 1.25 0.86 0.00 0.00 177.93 181.11 2jpa h LEU 82 N 0.15 0.24 -1.32 2.43 6.46 -0.93 0.34 115.31 122.68 2jpa h LEU 82 Ca -0.07 -0.37 -0.03 0.00 -0.12 0.00 0.00 57.88 57.29 2jpa h LEU 82 Cb 1.59 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 41.44 2jpa h LEU 82 CO 0.15 0.55 0.08 0.50 -0.62 0.00 0.00 178.44 179.10 2jpa h LYS 83 N -0.08 0.54 -0.03 1.25 3.64 -0.71 0.41 116.57 121.59 2jpa h LYS 83 Ca 0.03 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2jpa h LYS 83 Cb 0.45 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2jpa h LYS 83 CO 0.01 0.51 -0.01 1.15 -2.27 0.00 0.00 179.45 178.84 2jpa h THR 84 N 0.53 1.29 -0.05 1.00 2.02 -1.03 -3.12 112.91 113.55 2jpa h THR 84 Ca 0.12 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 66.38 2jpa h THR 84 Cb 0.22 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 2jpa h THR 84 CO -0.00 0.24 -0.14 -0.74 0.37 0.00 0.00 175.52 175.24 2jpa h HIS 85 N -0.29 0.07 -0.94 3.16 -0.00 0.14 -1.48 115.15 115.81 2jpa h HIS 85 Ca 0.01 -0.01 0.12 0.00 -0.00 0.00 0.00 60.37 60.49 2jpa h HIS 85 Cb 0.38 -0.02 -0.08 0.00 -0.00 0.00 0.00 27.41 27.69 2jpa h HIS 85 CO 0.05 0.22 0.56 1.15 -0.00 0.00 0.00 177.93 179.91 2jpa h THR 86 N 0.07 0.88 0.00 6.26 2.02 -0.12 -0.02 112.91 122.00 2jpa h THR 86 Ca 0.01 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 2jpa h THR 86 Cb 0.30 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 2jpa h THR 86 CO 0.02 0.16 -0.06 0.03 0.37 0.00 0.00 175.52 176.04 2jpa h ARG 87 N 0.89 0.00 0.00 6.66 3.08 -1.26 0.01 114.38 123.76 2jpa h ARG 87 Ca 0.47 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.47 2jpa h ARG 87 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2jpa h ARG 87 CO -0.28 0.06 -0.24 1.79 -1.07 0.00 0.00 179.97 180.23 2jpa h THR 88 N 0.00 1.08 0.00 2.04 1.35 -1.08 0.16 112.91 116.46 2jpa h THR 88 Ca -0.00 -0.83 -0.21 0.00 -0.55 0.00 0.00 66.41 64.82 2jpa h THR 88 Cb 0.15 1.46 -0.04 0.00 -1.73 0.00 0.00 68.15 68.00 2jpa h THR 88 CO 0.01 0.23 -1.67 1.41 -0.25 0.00 0.00 175.52 175.25 2jpa n HIS 89 N -4.13 0.74 1.15 4.73 8.25 -0.44 -4.30 115.22 121.22 2jpa n HIS 89 Ca -0.02 0.25 0.12 0.00 -0.26 0.00 0.00 57.72 57.81 2jpa n HIS 89 Cb 0.30 -1.04 0.28 0.00 1.12 0.00 0.00 29.99 30.65 2jpa n HIS 89 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2jpa n THR 90 N -2.84 0.00 -1.17 1.59 -1.04 -0.14 -4.93 114.28 105.76 2jpa n THR 90 Ca -0.14 -0.11 -0.06 0.00 -2.04 0.00 0.00 64.05 61.70 2jpa n THR 90 Cb 0.90 0.49 -0.02 0.00 -1.82 0.00 0.00 70.33 69.88 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 0.61 3.55 3.41 0.00 0.51 -4.91 105.19 109.76 2jpa n GLY 91 Ca 0.10 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.28 2.93 -0.71 1.61 2.12 -1.09 -4.91 118.70 116.37 2jpa s GLU 92 Ca 0.00 -0.11 0.05 0.00 0.36 0.00 0.00 54.97 55.26 2jpa s GLU 92 Cb 0.00 -4.64 0.17 0.00 0.26 0.00 0.00 34.13 29.92 2jpa s GLU 92 CO 0.00 -2.62 0.50 0.15 -0.54 0.00 0.00 175.26 172.74 2jpa s LYS 93 N 6.33 2.48 0.36 4.30 1.02 -1.26 -4.34 119.74 128.62 2jpa s LYS 93 Ca 0.55 -3.33 0.22 0.00 0.02 0.00 0.00 55.97 53.43 2jpa s LYS 93 Cb -0.08 -3.44 0.22 0.00 -0.52 0.00 0.00 37.83 34.01 2jpa s LYS 93 CO 0.09 -1.28 1.45 -1.00 -0.92 0.00 0.00 175.35 173.69 2jpa h PRO 94 N 5.45 0.00 -5.28 -1.68 0.13 -1.83 -3.39 132.00 125.41 2jpa h PRO 94 Ca 0.14 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.60 2jpa h PRO 94 Cb 0.76 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.83 2jpa h PRO 94 CO 0.72 0.07 2.41 1.19 -0.23 0.00 0.00 178.00 182.16 2jpa n PHE 95 N -3.02 4.16 -2.90 1.56 3.72 -0.33 -4.89 117.46 115.76 2jpa n PHE 95 Ca 0.02 -2.77 -0.38 0.00 -0.05 0.00 0.00 57.45 54.27 2jpa n PHE 95 Cb 0.57 -2.59 -0.06 0.00 -0.94 0.00 0.00 39.48 36.46 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 4.09 7.35 0.57 4.37 0.01 -1.26 -0.99 113.70 127.84 2jpa s SER 96 Ca 0.53 1.72 -0.18 0.00 1.31 0.00 0.00 55.95 59.32 2jpa s SER 96 Cb 0.07 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.72 2jpa s SER 96 CO 0.04 0.07 1.11 0.00 0.41 0.00 0.00 173.24 174.87 2jpa n ARG 98 N -1.57 1.51 -2.00 0.00 -4.01 -1.26 -3.70 116.66 105.63 2jpa n ARG 98 Ca 0.11 -1.22 -0.35 0.00 -1.04 0.00 0.00 57.85 55.35 2jpa n ARG 98 Cb 0.51 -1.31 0.03 0.00 -3.04 0.00 0.00 32.46 28.66 2jpa n ARG 98 CO 0.00 0.00 0.00 -1.58 -3.04 0.00 0.00 177.63 173.01 2jpa s TRP 99 N -1.64 2.51 0.14 2.89 0.52 -1.26 -4.94 118.94 117.16 2jpa s TRP 99 Ca 0.17 1.54 -0.31 0.00 0.02 0.00 0.00 56.10 57.52 2jpa s TRP 99 Cb 0.14 -3.35 -0.09 0.00 -1.15 0.00 0.00 33.47 29.02 2jpa s TRP 99 CO 0.30 -1.91 1.53 -1.25 0.02 0.00 0.00 176.95 175.64 2jpa s PRO 100 N -3.53 4.24 -0.79 4.98 0.04 -1.26 -2.67 135.00 136.02 2jpa s PRO 100 Ca 0.73 2.28 0.00 0.00 0.04 0.00 0.00 61.00 64.05 2jpa s PRO 100 Cb -0.26 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.05 2jpa s PRO 100 CO 0.34 -0.58 0.00 -1.13 0.04 0.00 0.00 177.00 175.67 2jpa n SER 101 N 4.17 -5.27 0.00 6.66 3.41 -1.26 -4.88 113.62 116.44 2jpa n SER 101 Ca 0.13 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 2jpa n SER 101 Cb 0.40 -3.43 0.00 0.00 -0.26 0.00 0.00 64.21 60.92 2jpa n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jpa n GLN 103 N -0.92 -2.38 -1.86 0.00 3.00 -1.24 -4.95 117.38 109.03 2jpa n GLN 103 Ca 0.00 0.83 -0.41 0.00 -0.01 0.00 0.00 57.00 57.41 2jpa n GLN 103 Cb 0.00 -5.51 -0.01 0.00 0.00 0.00 0.00 30.24 24.72 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 -5.18 4.16 -0.06 -1.09 3.01 -1.26 -4.33 119.74 114.99 2jpa s LYS 104 Ca 0.06 2.50 0.01 0.00 -1.01 0.00 0.00 55.97 57.53 2jpa s LYS 104 Cb -0.03 -3.02 -0.03 0.00 -1.01 0.00 0.00 37.83 33.75 2jpa s LYS 104 CO 0.08 -0.51 -0.08 0.15 0.51 0.00 0.00 175.35 175.50 2jpa s LYS 105 N -1.35 2.69 0.16 1.68 1.02 -1.26 0.05 119.74 122.73 2jpa s LYS 105 Ca 0.56 -0.59 0.05 0.00 0.02 0.00 0.00 55.97 56.02 2jpa s LYS 105 Cb -0.45 -2.55 -0.04 0.00 -0.52 0.00 0.00 37.83 34.27 2jpa s LYS 105 CO 0.55 0.65 -0.11 -0.06 -0.92 0.00 0.00 175.35 175.46 2jpa s PHE 106 N -0.81 1.37 -2.73 3.18 0.08 -0.16 -4.96 117.98 113.96 2jpa s PHE 106 Ca 0.13 -0.70 0.24 0.00 0.12 0.00 0.00 56.93 56.72 2jpa s PHE 106 Cb -0.11 -0.68 0.27 0.00 -0.57 0.00 0.00 43.02 41.93 2jpa s PHE 106 CO 0.02 0.15 1.29 0.00 -0.10 0.00 0.00 175.22 176.58 2jpa n ALA 107 N -0.17 2.70 -2.75 5.36 0.00 -1.26 -1.19 120.51 123.19 2jpa n ALA 107 Ca -0.10 -0.65 -0.16 0.00 0.00 0.00 0.00 53.44 52.53 2jpa n ALA 107 Cb 0.60 -0.86 -0.14 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.10 0.53 0.15 0.00 0.52 -1.26 -4.87 118.95 111.91 2jpa s ARG 108 Ca 0.27 -0.33 -0.17 0.00 -0.52 0.00 0.00 55.73 54.98 2jpa s ARG 108 Cb 0.20 -0.48 0.03 0.00 0.52 0.00 0.00 34.95 35.21 2jpa s ARG 108 CO 0.36 0.13 1.75 0.66 0.02 0.00 0.00 175.30 178.22 2jpa h SER 109 N 5.72 0.10 -0.10 0.23 4.64 -1.96 -1.88 113.55 120.28 2jpa h SER 109 Ca -0.30 0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.00 2jpa h SER 109 Cb 1.19 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2jpa h SER 109 CO 0.48 0.09 -0.09 -2.24 -0.87 0.00 0.00 176.83 174.20 2jpa h ASP 110 N 0.23 0.39 -0.65 4.97 2.03 -1.98 0.70 116.42 122.11 2jpa h ASP 110 Ca 0.14 -0.09 -0.00 0.00 -0.73 0.00 0.00 57.03 56.35 2jpa h ASP 110 Cb 0.12 -0.10 -0.03 0.00 -0.83 0.00 0.00 39.33 38.48 2jpa h ASP 110 CO -0.15 0.53 0.40 -0.33 -1.03 0.00 0.00 179.24 178.66 2jpa h GLU 111 N 0.39 0.88 -0.56 4.15 5.08 -1.83 0.18 114.58 122.87 2jpa h GLU 111 Ca 0.08 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2jpa h GLU 111 Cb 0.41 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2jpa h GLU 111 CO 0.02 0.62 -0.06 1.25 -1.00 0.00 0.00 179.01 179.84 2jpa h LEU 112 N 0.88 1.01 -0.50 1.33 5.85 -0.62 -0.20 115.31 123.07 2jpa h LEU 112 Ca 0.23 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.67 2jpa h LEU 112 Cb -0.04 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.68 2jpa h LEU 112 CO -0.05 1.10 0.28 0.58 -0.34 0.00 0.00 178.44 180.02 2jpa h VAL 113 N 0.92 1.02 -0.32 1.05 2.07 -0.40 -0.17 116.25 120.42 2jpa h VAL 113 Ca 0.15 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 2jpa h VAL 113 Cb 0.62 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2jpa h VAL 113 CO 0.04 0.10 0.18 -0.09 0.02 0.00 0.00 177.57 177.82 2jpa h ARG 114 N 0.56 0.44 -0.33 1.57 2.43 -0.44 -1.38 114.38 117.23 2jpa h ARG 114 Ca 0.21 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.39 2jpa h ARG 114 Cb 0.06 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 2jpa h ARG 114 CO -0.11 0.36 -0.02 1.25 -1.51 0.00 0.00 179.97 179.94 2jpa h HIS 115 N 0.40 -0.06 -0.78 2.20 2.76 -0.48 0.10 115.15 119.29 2jpa h HIS 115 Ca 0.11 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.36 2jpa h HIS 115 Cb 0.05 0.08 -0.05 0.00 1.55 0.00 0.00 27.41 29.04 2jpa h HIS 115 CO -0.03 -0.08 0.51 0.45 -1.30 0.00 0.00 177.93 177.48 2jpa h HIS 116 N 0.07 0.89 0.00 5.26 3.86 -0.87 -0.13 115.15 124.22 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 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.40 2jpa h HIS 116 CO -0.25 0.49 0.00 -0.97 0.86 0.00 0.00 177.93 178.06 2jpa h ASN 117 N 0.90 0.00 -0.18 2.45 -0.00 0.31 -1.78 115.58 117.28 2jpa h ASN 117 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.63 2jpa h ASN 117 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.47 2jpa h ASN 117 CO -0.11 0.00 0.00 0.23 -0.00 0.00 0.00 177.43 177.55 2jpa n MET 118 N -2.59 1.71 0.00 6.67 2.81 -0.19 -5.08 117.12 120.44 2jpa n MET 118 Ca 0.01 -1.70 0.10 0.00 -1.81 0.00 0.00 57.70 54.31 2jpa n MET 118 Cb 0.25 -1.31 0.62 0.00 -0.71 0.00 0.00 33.22 32.06 2jpa n MET 118 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06