#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 0.56 -1.32 0.00 3.41 -1.26 -3.56 113.62 111.44 2jpa n SER 2 Ca 0.00 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 2jpa n SER 2 Cb 0.00 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 2jpa n SER 2 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jpa n GLU 3 N -2.12 0.86 -3.95 4.33 4.71 -1.26 -4.75 120.64 118.45 2jpa n GLU 3 Ca 0.02 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.88 2jpa n GLU 3 Cb 0.22 -1.07 0.01 0.00 -1.01 0.00 0.00 31.44 29.58 2jpa n GLU 3 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2jpa n LYS 4 N 1.14 -4.41 -0.97 3.49 4.81 -1.23 -4.94 118.16 116.04 2jpa n LYS 4 Ca 0.00 0.51 -0.32 0.00 -0.87 0.00 0.00 58.31 57.63 2jpa n LYS 4 Cb 0.43 -5.14 0.14 0.00 0.02 0.00 0.00 35.03 30.48 2jpa n LYS 4 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2jpa s ARG 5 N -6.56 1.51 -0.95 1.64 1.70 -1.24 -4.89 118.95 110.16 2jpa s ARG 5 Ca 0.42 1.52 -0.24 0.00 -0.47 0.00 0.00 55.73 56.96 2jpa s ARG 5 Cb -0.22 -1.78 -0.03 0.00 -0.57 0.00 0.00 34.95 32.35 2jpa s ARG 5 CO 0.86 -2.26 1.87 -1.25 -1.08 0.00 0.00 175.30 173.44 2jpa s PRO 6 N -4.54 2.73 -1.09 3.89 0.04 -1.26 -4.45 135.00 130.32 2jpa s PRO 6 Ca 0.67 -0.50 -0.22 0.00 0.04 0.00 0.00 61.00 60.99 2jpa s PRO 6 Cb -0.23 -5.13 0.01 0.00 0.04 0.00 0.00 34.50 29.20 2jpa s PRO 6 CO 0.55 -3.22 1.71 -0.06 0.04 0.00 0.00 177.00 176.01 2jpa s PHE 7 N 9.28 2.35 0.19 0.56 0.08 -0.00 -4.76 117.98 125.67 2jpa s PHE 7 Ca 0.66 -0.54 -0.29 0.00 0.12 0.00 0.00 56.93 56.88 2jpa s PHE 7 Cb -0.05 -4.47 -0.08 0.00 -0.57 0.00 0.00 43.02 37.85 2jpa s PHE 7 CO -0.01 -1.75 0.91 0.00 -0.10 0.00 0.00 175.22 174.27 2jpa s MET 8 N 5.44 4.76 0.38 0.44 0.23 -1.26 -0.75 119.30 128.55 2jpa s MET 8 Ca 0.57 1.41 -0.28 0.00 -1.03 0.00 0.00 55.69 56.36 2jpa s MET 8 Cb -0.00 -3.30 -0.11 0.00 -1.53 0.00 0.00 34.83 29.88 2jpa s MET 8 CO 0.00 0.44 1.46 0.00 -2.03 0.00 0.00 175.02 174.90 2jpa h ALA 10 N 2.83 1.00 -2.11 0.00 0.00 -1.94 -3.32 119.26 115.73 2jpa h ALA 10 Ca -0.50 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 53.84 2jpa h ALA 10 Cb 1.25 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2jpa h ALA 10 CO 0.63 0.00 1.00 -0.47 0.00 0.00 0.00 179.25 180.42 2jpa s TYR 11 N -3.38 2.48 -0.28 0.00 5.04 -1.26 -4.94 117.35 115.01 2jpa s TYR 11 Ca 0.05 0.72 -0.28 0.00 -2.44 0.00 0.00 57.07 55.11 2jpa s TYR 11 Cb 0.09 -3.77 -0.03 0.00 0.35 0.00 0.00 41.96 38.60 2jpa s TYR 11 CO 0.51 -2.40 1.89 -1.25 -1.34 0.00 0.00 175.55 172.97 2jpa s PRO 12 N 4.00 3.35 0.00 4.97 0.04 -1.26 -2.03 135.00 144.08 2jpa s PRO 12 Ca 0.62 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2jpa s PRO 12 Cb -0.24 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.08 2jpa s PRO 12 CO 0.22 -1.84 0.00 0.41 0.04 0.00 0.00 177.00 175.84 2jpa n GLY 13 N 5.41 3.32 0.00 0.56 0.00 -1.26 -4.95 105.19 108.27 2jpa n GLY 13 Ca 0.24 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.02 -3.18 -4.77 0.00 5.03 -0.97 -4.93 115.26 105.43 2jpa n ASN 15 Ca 0.00 0.25 -0.34 0.00 0.87 0.00 0.00 54.58 55.36 2jpa n ASN 15 Cb 0.00 -2.82 0.03 0.00 -1.02 0.00 0.00 39.78 35.97 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 -4.41 2.99 -0.21 3.52 1.02 -1.26 -4.15 119.74 117.25 2jpa s LYS 16 Ca 0.00 1.50 -0.12 0.00 0.02 0.00 0.00 55.97 57.37 2jpa s LYS 16 Cb 0.00 -1.97 -0.05 0.00 -0.52 0.00 0.00 37.83 35.30 2jpa s LYS 16 CO 0.00 -1.12 0.21 1.03 -0.92 0.00 0.00 175.35 174.55 2jpa s ARG 17 N -3.76 4.16 0.42 1.68 3.00 -1.26 -0.37 118.95 122.81 2jpa s ARG 17 Ca 0.70 -0.12 0.07 0.00 0.00 0.00 0.00 55.73 56.38 2jpa s ARG 17 Cb -0.22 -3.48 -0.03 0.00 0.00 0.00 0.00 34.95 31.22 2jpa s ARG 17 CO 0.36 0.15 0.31 0.71 0.00 0.00 0.00 175.30 176.84 2jpa s TYR 18 N 0.77 2.64 -0.05 -0.53 1.51 0.07 -4.87 117.35 116.88 2jpa s TYR 18 Ca 0.11 -0.54 0.01 0.00 -1.01 0.00 0.00 57.07 55.64 2jpa s TYR 18 Cb -0.13 -2.09 -0.04 0.00 -0.11 0.00 0.00 41.96 39.59 2jpa s TYR 18 CO 0.03 -0.03 -0.04 1.19 -1.11 0.00 0.00 175.55 175.59 2jpa n PHE 19 N -1.45 0.00 -3.41 2.71 3.72 -1.26 -0.82 117.46 116.94 2jpa n PHE 19 Ca 0.02 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.01 2jpa n PHE 19 Cb 0.63 -0.20 -0.09 0.00 -0.94 0.00 0.00 39.48 38.87 2jpa n PHE 19 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2jpa s LYS 20 N -2.10 3.58 0.26 -1.08 1.02 -1.26 -4.49 119.74 115.67 2jpa s LYS 20 Ca -0.06 -0.42 -0.04 0.00 0.02 0.00 0.00 55.97 55.47 2jpa s LYS 20 Cb 0.02 -3.80 0.53 0.00 -0.52 0.00 0.00 37.83 34.06 2jpa s LYS 20 CO 0.13 -0.50 1.62 1.25 -0.92 0.00 0.00 175.35 176.93 2jpa h LEU 21 N 8.72 -0.36 -0.24 3.17 6.46 -1.93 0.12 115.31 131.25 2jpa h LEU 21 Ca -0.30 0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 57.62 2jpa h LEU 21 Cb 1.15 0.38 -0.01 0.00 -0.73 0.00 0.00 40.66 41.44 2jpa h LEU 21 CO 0.68 -0.22 -0.09 0.77 -0.62 0.00 0.00 178.44 178.97 2jpa h SER 22 N 0.09 0.49 0.11 1.25 4.64 -1.98 0.16 113.55 118.32 2jpa h SER 22 Ca 0.47 -0.39 -0.04 0.00 -0.47 0.00 0.00 61.79 61.35 2jpa h SER 22 Cb 0.87 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 2jpa h SER 22 CO -0.73 0.77 -0.16 1.12 -0.87 0.00 0.00 176.83 176.96 2jpa h HIS 23 N 0.21 0.11 -0.14 4.77 2.07 -1.53 0.24 115.15 120.87 2jpa h HIS 23 Ca 0.06 -0.01 -0.17 0.00 -2.85 0.00 0.00 60.37 57.39 2jpa h HIS 23 Cb 0.57 -0.03 0.01 0.00 2.57 0.00 0.00 27.41 30.53 2jpa h HIS 23 CO 0.06 0.27 -0.59 1.25 -3.07 0.00 0.00 177.93 175.84 2jpa h LEU 24 N 0.10 0.77 -1.13 6.12 7.12 -0.72 -1.69 115.31 125.89 2jpa h LEU 24 Ca 0.02 -0.62 0.05 0.00 0.13 0.00 0.00 57.88 57.46 2jpa h LEU 24 Cb 0.35 -0.23 -0.06 0.00 -0.53 0.00 0.00 40.66 40.19 2jpa h LEU 24 CO 0.02 1.26 0.60 -0.61 -0.13 0.00 0.00 178.44 179.58 2jpa h GLN 25 N 0.32 1.05 -0.25 1.25 5.75 0.46 0.12 115.11 123.82 2jpa h GLN 25 Ca -0.03 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.38 2jpa h GLN 25 Cb 1.23 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 29.53 2jpa h GLN 25 CO 0.12 0.70 0.07 1.98 -2.65 0.00 0.00 178.83 179.05 2jpa h MET 26 N 1.08 0.39 -0.76 1.69 4.05 -0.56 -2.93 114.93 117.90 2jpa h MET 26 Ca 0.38 -0.09 0.06 0.00 -0.28 0.00 0.00 59.70 59.77 2jpa h MET 26 Cb 0.12 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 30.82 2jpa h MET 26 CO -0.13 0.48 0.50 1.25 0.23 0.00 0.00 176.91 179.24 2jpa h HIS 27 N 0.23 0.83 -0.55 1.39 -0.00 -0.13 -1.37 115.15 115.55 2jpa h HIS 27 Ca 0.08 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.50 2jpa h HIS 27 Cb 0.26 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.36 2jpa h HIS 27 CO 0.01 0.45 0.36 0.66 -0.00 0.00 0.00 177.93 179.41 2jpa h SER 28 N 0.83 0.56 -0.91 3.26 4.64 -0.64 -1.22 113.55 120.07 2jpa h SER 28 Ca 0.32 -0.01 0.10 0.00 -0.47 0.00 0.00 61.79 61.73 2jpa h SER 28 Cb 0.20 -0.13 -0.07 0.00 -0.31 0.00 0.00 62.40 62.09 2jpa h SER 28 CO -0.11 0.39 0.58 -0.09 -0.87 0.00 0.00 176.83 176.74 2jpa h ARG 29 N 0.65 0.86 -0.79 4.77 1.12 -1.23 0.61 114.38 120.37 2jpa h ARG 29 Ca 0.22 -0.05 0.07 0.00 -1.11 0.00 0.00 59.98 59.11 2jpa h ARG 29 Cb 0.07 -0.19 -0.06 0.00 -0.01 0.00 0.00 29.97 29.77 2jpa h ARG 29 CO -0.06 0.57 0.47 -0.22 -3.11 0.00 0.00 179.97 177.62 2jpa h LYS 30 N 0.88 0.81 0.00 0.20 1.63 -1.32 -1.99 116.57 116.78 2jpa h LYS 30 Ca 0.43 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 60.15 2jpa h LYS 30 Cb 0.44 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.89 2jpa h LYS 30 CO -0.19 0.53 -0.13 0.45 -3.45 0.00 0.00 179.45 176.67 2jpa h HIS 31 N 0.83 0.00 0.00 1.91 3.86 -1.00 -1.96 115.15 118.80 2jpa h HIS 31 Ca 0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 2jpa h HIS 31 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 2jpa h HIS 31 CO -0.05 0.13 0.01 -2.37 0.86 0.00 0.00 177.93 176.50 2jpa n THR 32 N -3.15 1.03 -2.47 2.45 5.66 -0.61 -0.64 114.28 116.54 2jpa n THR 32 Ca 0.03 0.74 -0.11 0.00 -3.05 0.00 0.00 64.05 61.66 2jpa n THR 32 Cb 0.55 -1.74 0.04 0.00 -1.55 0.00 0.00 70.33 67.62 2jpa n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jpa n GLY 33 N -1.30 3.87 0.36 1.09 0.00 -0.76 -4.06 105.19 104.39 2jpa n GLY 33 Ca -0.01 -1.79 0.11 0.00 0.00 0.00 0.00 46.02 44.33 2jpa n GLY 33 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2jpa h GLU 34 N 2.42 0.80 -3.84 1.61 9.09 -0.57 -3.45 114.58 120.65 2jpa h GLU 34 Ca 0.09 -0.05 -0.09 0.00 0.05 0.00 0.00 59.36 59.36 2jpa h GLU 34 Cb 1.38 -0.18 -0.14 0.00 -1.65 0.00 0.00 28.75 28.17 2jpa h GLU 34 CO 0.45 0.53 -0.38 0.15 0.05 0.00 0.00 179.01 179.81 2jpa s LYS 35 N -5.88 0.86 -0.89 1.06 1.02 -1.26 -5.01 119.74 109.64 2jpa s LYS 35 Ca -0.11 -0.99 -0.25 0.00 0.02 0.00 0.00 55.97 54.64 2jpa s LYS 35 Cb 0.24 0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 37.85 2jpa s LYS 35 CO 0.80 -0.27 1.92 -1.25 -0.92 0.00 0.00 175.35 175.63 2jpa s PRO 36 N -3.88 2.59 -0.21 -1.68 0.04 -1.26 -4.62 135.00 126.00 2jpa s PRO 36 Ca 0.06 -0.27 -0.29 0.00 0.04 0.00 0.00 61.00 60.55 2jpa s PRO 36 Cb 0.05 -5.04 -0.05 0.00 0.04 0.00 0.00 34.50 29.51 2jpa s PRO 36 CO -0.10 -3.30 2.01 0.71 0.04 0.00 0.00 177.00 176.36 2jpa s TYR 37 N 9.86 1.45 0.26 0.56 2.02 0.41 -4.57 117.35 127.32 2jpa s TYR 37 Ca 0.69 0.41 -0.14 0.00 -0.37 0.00 0.00 57.07 57.67 2jpa s TYR 37 Cb -0.07 -4.02 -0.08 0.00 -0.40 0.00 0.00 41.96 37.39 2jpa s TYR 37 CO 0.00 -3.91 0.65 1.14 -1.57 0.00 0.00 175.55 171.86 2jpa s GLN 38 N 5.70 3.97 0.64 -0.62 -2.07 -1.26 -0.82 119.66 125.20 2jpa s GLN 38 Ca 0.90 0.54 -0.16 0.00 -1.82 0.00 0.00 55.36 54.82 2jpa s GLN 38 Cb -0.31 -2.62 -0.01 0.00 -1.09 0.00 0.00 33.01 28.98 2jpa s GLN 38 CO 0.35 0.28 1.15 0.00 -1.32 0.00 0.00 175.29 175.75 2jpa n ASP 40 N -2.13 1.22 -4.60 0.00 5.75 -1.26 -4.17 116.55 111.35 2jpa n ASP 40 Ca 0.12 -1.07 -0.43 0.00 -0.01 0.00 0.00 54.79 53.40 2jpa n ASP 40 Cb 0.51 0.79 -0.03 0.00 -1.03 0.00 0.00 41.12 41.36 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 -2.86 1.83 0.59 2.11 5.36 -1.26 -4.87 117.98 118.88 2jpa s PHE 41 Ca 0.11 0.60 0.29 0.00 -0.96 0.00 0.00 56.93 56.97 2jpa s PHE 41 Cb 0.17 -4.12 1.78 0.00 -0.34 0.00 0.00 43.02 40.51 2jpa s PHE 41 CO 0.77 -2.99 2.25 -0.22 -1.46 0.00 0.00 175.22 173.57 2jpa h LYS 42 N 12.62 0.00 -0.13 10.12 1.63 -2.02 0.16 116.57 138.96 2jpa h LYS 42 Ca -0.34 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 2jpa h LYS 42 Cb 1.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 2jpa h LYS 42 CO 1.02 0.00 0.00 -0.25 -3.45 0.00 0.00 179.45 176.77 2jpa n ASP 43 N -3.90 0.73 0.00 4.20 8.00 -1.26 -4.59 116.55 119.73 2jpa n ASP 43 Ca -0.03 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.56 2jpa n ASP 43 Cb 0.09 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 -0.86 -3.85 -1.40 0.00 1.02 -0.43 -4.99 120.64 110.14 2jpa n GLU 45 Ca 0.00 0.68 -0.31 0.00 -0.02 0.00 0.00 57.16 57.51 2jpa n GLU 45 Cb 0.00 -5.44 0.08 0.00 -0.02 0.00 0.00 31.44 26.05 2jpa n GLU 45 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2jpa s ARG 46 N -5.76 2.45 -0.04 3.49 3.00 -1.26 -4.46 118.95 116.37 2jpa s ARG 46 Ca 0.31 1.19 0.04 0.00 0.00 0.00 0.00 55.73 57.26 2jpa s ARG 46 Cb -0.15 -1.92 -0.03 0.00 0.00 0.00 0.00 34.95 32.85 2jpa s ARG 46 CO 0.38 -1.50 -0.13 1.03 0.00 0.00 0.00 175.30 175.08 2jpa s ARG 47 N -4.76 2.49 0.06 3.54 3.00 -1.26 -0.22 118.95 121.80 2jpa s ARG 47 Ca 0.62 -0.71 0.05 0.00 0.00 0.00 0.00 55.73 55.69 2jpa s ARG 47 Cb -0.17 -2.40 -0.03 0.00 0.00 0.00 0.00 34.95 32.35 2jpa s ARG 47 CO 0.53 0.62 -0.14 -0.06 0.00 0.00 0.00 175.30 176.24 2jpa s PHE 48 N -0.80 1.24 -0.30 -0.53 0.08 -0.00 -4.92 117.98 112.76 2jpa s PHE 48 Ca 0.13 -0.43 0.12 0.00 0.12 0.00 0.00 56.93 56.86 2jpa s PHE 48 Cb -0.11 -0.71 0.77 0.00 -0.57 0.00 0.00 43.02 42.40 2jpa s PHE 48 CO 0.02 0.06 1.74 -1.13 -0.10 0.00 0.00 175.22 175.81 2jpa n SER 49 N 1.44 5.25 -3.52 1.36 3.41 -1.26 -0.45 113.62 119.85 2jpa n SER 49 Ca -0.20 -3.02 -0.16 0.00 -0.26 0.00 0.00 58.87 55.23 2jpa n SER 49 Cb 0.54 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.73 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 -2.79 0.98 0.17 4.33 3.52 -1.26 -3.91 118.95 119.99 2jpa s ARG 50 Ca 0.53 0.18 -0.12 0.00 -0.13 0.00 0.00 55.73 56.20 2jpa s ARG 50 Cb 0.41 0.46 0.06 0.00 -1.56 0.00 0.00 34.95 34.33 2jpa s ARG 50 CO 0.14 -0.32 1.70 0.66 -0.81 0.00 0.00 175.30 176.68 2jpa h SER 51 N 2.84 0.83 0.04 -2.12 4.64 -1.91 -1.48 113.55 116.40 2jpa h SER 51 Ca -0.26 -0.20 -0.11 0.00 -0.47 0.00 0.00 61.79 60.76 2jpa h SER 51 Cb 1.16 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 2jpa h SER 51 CO 0.37 0.81 -0.33 -2.24 -0.87 0.00 0.00 176.83 174.58 2jpa h ASP 52 N 0.81 0.42 -0.10 4.97 2.03 -1.97 -1.16 116.42 121.42 2jpa h ASP 52 Ca 0.19 -0.16 -0.00 0.00 -0.73 0.00 0.00 57.03 56.32 2jpa h ASP 52 Cb 0.27 -0.12 -0.00 0.00 -0.83 0.00 0.00 39.33 38.65 2jpa h ASP 52 CO -0.01 0.73 0.06 1.56 -1.03 0.00 0.00 179.24 180.55 2jpa h GLN 53 N 0.36 0.14 -0.01 4.15 4.20 -1.86 0.32 115.11 122.41 2jpa h GLN 53 Ca 0.04 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2jpa h GLN 53 Cb 0.75 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 2jpa h GLN 53 CO 0.06 0.16 0.01 1.25 -0.67 0.00 0.00 178.83 179.64 2jpa h LEU 54 N 0.08 0.02 -0.48 1.46 5.85 -1.14 0.19 115.31 121.29 2jpa h LEU 54 Ca 0.04 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2jpa h LEU 54 Cb 0.06 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2jpa h LEU 54 CO -0.01 0.03 0.21 0.50 -0.34 0.00 0.00 178.44 178.83 2jpa h LYS 55 N 0.00 0.71 -0.37 1.25 1.63 -1.08 0.16 116.57 118.87 2jpa h LYS 55 Ca 0.00 -0.12 0.03 0.00 -0.85 0.00 0.00 60.65 59.72 2jpa h LYS 55 Cb 0.02 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.49 2jpa h LYS 55 CO -0.00 0.62 0.17 -0.09 -3.45 0.00 0.00 179.45 176.70 2jpa h ARG 56 N 0.63 0.34 -0.05 1.90 2.43 -0.25 -0.70 114.38 118.69 2jpa h ARG 56 Ca 0.16 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2jpa h ARG 56 Cb 0.17 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2jpa h ARG 56 CO -0.02 0.23 0.03 1.25 -1.51 0.00 0.00 179.97 179.95 2jpa h HIS 57 N 0.35 0.07 -0.92 2.20 2.76 -0.11 -0.97 115.15 118.52 2jpa h HIS 57 Ca 0.16 0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.46 2jpa h HIS 57 Cb 0.09 -0.02 -0.07 0.00 1.55 0.00 0.00 27.41 28.96 2jpa h HIS 57 CO -0.11 0.07 0.59 1.96 -1.30 0.00 0.00 177.93 179.14 2jpa h GLN 58 N 0.05 0.81 -0.64 5.26 4.20 -0.48 0.35 115.11 124.65 2jpa h GLN 58 Ca 0.02 -0.05 0.12 0.00 0.06 0.00 0.00 58.65 58.80 2jpa h GLN 58 Cb 0.02 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.58 2jpa h GLN 58 CO -0.00 0.53 0.43 -0.09 -0.67 0.00 0.00 178.83 179.03 2jpa h ARG 59 N 0.83 0.34 -0.25 1.46 1.12 0.28 0.48 114.38 118.64 2jpa h ARG 59 Ca 0.45 -0.02 0.03 0.00 -1.11 0.00 0.00 59.98 59.34 2jpa h ARG 59 Cb 0.57 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.44 2jpa h ARG 59 CO -0.22 0.22 0.17 0.07 -3.11 0.00 0.00 179.97 177.11 2jpa h ARG 60 N 0.35 0.20 -0.00 0.20 -0.00 -0.71 0.21 114.38 114.62 2jpa h ARG 60 Ca 0.31 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 60.27 2jpa h ARG 60 Cb 0.72 -0.05 0.00 0.00 -0.00 0.00 0.00 29.97 30.64 2jpa h ARG 60 CO -0.08 0.13 -0.12 -2.39 -0.00 0.00 0.00 179.97 177.51 2jpa n HIS 61 N -4.49 0.00 -0.07 4.08 1.44 -0.56 -4.61 115.22 111.00 2jpa n HIS 61 Ca 0.02 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.68 2jpa n HIS 61 Cb 0.18 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.14 2jpa n HIS 61 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2jpa n THR 62 N -0.42 0.96 -3.65 0.61 -2.24 0.05 -4.88 114.28 104.72 2jpa n THR 62 Ca 0.02 -0.69 -0.28 0.00 -2.27 0.00 0.00 64.05 60.83 2jpa n THR 62 Cb 0.11 -0.39 -0.16 0.00 -2.10 0.00 0.00 70.33 67.78 2jpa n THR 62 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jpa s GLY 63 N -5.00 0.62 0.00 3.38 0.00 0.72 -5.03 107.32 102.00 2jpa s GLY 63 Ca -0.08 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.78 2jpa s GLY 63 CO 0.75 1.71 0.55 3.33 0.00 0.00 0.00 173.10 179.44 2jpa n VAL 64 N 5.13 0.00 -3.27 1.40 0.24 -1.26 -4.47 118.33 116.09 2jpa n VAL 64 Ca -0.07 1.05 -0.22 0.00 -2.04 0.00 0.00 64.34 63.06 2jpa n VAL 64 Cb 0.45 -1.71 -0.08 0.00 -1.47 0.00 0.00 33.84 31.03 2jpa n VAL 64 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2jpa s LYS 65 N -1.19 0.91 0.32 7.34 -0.14 -1.26 -4.39 119.74 121.33 2jpa s LYS 65 Ca 0.00 -1.85 0.20 0.00 -1.36 0.00 0.00 55.97 52.96 2jpa s LYS 65 Cb 0.00 -1.13 0.16 0.00 -1.68 0.00 0.00 37.83 35.19 2jpa s LYS 65 CO 0.00 -1.37 1.41 -1.00 -0.76 0.00 0.00 175.35 173.64 2jpa h PRO 66 N 5.60 0.00 -5.83 -1.68 0.13 -1.73 -3.39 132.00 125.10 2jpa h PRO 66 Ca 0.22 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.74 2jpa h PRO 66 Cb 0.95 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.97 2jpa h PRO 66 CO 0.29 0.19 1.07 -0.06 -0.23 0.00 0.00 178.00 179.26 2jpa s PHE 67 N -3.13 2.61 -0.06 1.56 0.08 -0.41 -4.91 117.98 113.72 2jpa s PHE 67 Ca 0.04 -0.69 -0.13 0.00 0.12 0.00 0.00 56.93 56.27 2jpa s PHE 67 Cb 0.07 -4.52 -0.05 0.00 -0.57 0.00 0.00 43.02 37.94 2jpa s PHE 67 CO 0.72 -1.83 0.34 -1.14 -0.10 0.00 0.00 175.22 173.21 2jpa s GLN 68 N 4.55 3.91 0.53 0.44 0.74 -1.26 -0.20 119.66 128.37 2jpa s GLN 68 Ca 0.36 0.24 -0.21 0.00 0.05 0.00 0.00 55.36 55.80 2jpa s GLN 68 Cb -0.06 -3.27 -0.05 0.00 1.10 0.00 0.00 33.01 30.73 2jpa s GLN 68 CO 0.00 0.59 1.26 0.00 -0.55 0.00 0.00 175.29 176.59 2jpa n LYS 70 N -1.03 0.25 0.00 0.00 -0.00 -1.26 -3.34 118.16 112.78 2jpa n LYS 70 Ca 0.10 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 2jpa n LYS 70 Cb 0.47 -1.70 0.00 0.00 -0.00 0.00 0.00 35.03 33.80 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 -2.08 0.00 1.45 0.58 -1.04 -1.26 -4.64 114.28 107.28 2jpa n THR 71 Ca 0.04 0.35 0.14 0.00 -2.04 0.00 0.00 64.05 62.54 2jpa n THR 71 Cb 0.42 -1.28 0.56 0.00 -1.82 0.00 0.00 70.33 68.21 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 -0.55 -1.43 -0.89 0.00 1.13 -1.21 -4.99 117.38 109.43 2jpa n GLN 73 Ca 0.16 1.07 -0.30 0.00 -1.94 0.00 0.00 57.00 55.99 2jpa n GLN 73 Cb 0.30 -5.50 0.17 0.00 0.11 0.00 0.00 30.24 25.33 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 -4.23 0.73 -0.02 -1.09 1.81 -1.26 -4.65 118.95 110.23 2jpa s ARG 74 Ca 0.00 1.07 0.03 0.00 -1.72 0.00 0.00 55.73 55.12 2jpa s ARG 74 Cb 0.00 -1.73 -0.00 0.00 -0.45 0.00 0.00 34.95 32.77 2jpa s ARG 74 CO 0.00 -2.68 -0.12 0.15 -0.68 0.00 0.00 175.30 171.98 2jpa s LYS 75 N -4.73 1.07 0.21 3.54 1.02 -1.26 -0.11 119.74 119.48 2jpa s LYS 75 Ca 0.65 -0.41 0.01 0.00 0.02 0.00 0.00 55.97 56.24 2jpa s LYS 75 Cb -0.21 -1.00 -0.05 0.00 -0.52 0.00 0.00 37.83 36.05 2jpa s LYS 75 CO 0.59 0.21 0.05 -0.06 -0.92 0.00 0.00 175.35 175.22 2jpa s PHE 76 N -0.09 1.34 -0.44 3.18 0.08 0.71 -4.97 117.98 117.79 2jpa s PHE 76 Ca 0.01 -1.12 0.19 0.00 0.12 0.00 0.00 56.93 56.13 2jpa s PHE 76 Cb -0.07 -0.77 -0.25 0.00 -0.57 0.00 0.00 43.02 41.37 2jpa s PHE 76 CO 0.00 -0.30 0.60 -1.13 -0.10 0.00 0.00 175.22 174.29 2jpa n SER 77 N -0.34 0.75 -4.08 1.36 3.41 -1.26 -1.29 113.62 112.18 2jpa n SER 77 Ca -0.03 -0.45 -0.12 0.00 -0.26 0.00 0.00 58.87 58.01 2jpa n SER 77 Cb 0.65 1.45 -0.11 0.00 -0.26 0.00 0.00 64.21 65.94 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 -3.04 0.57 0.19 4.33 0.52 -1.26 -4.83 118.95 115.43 2jpa s ARG 78 Ca -0.00 -0.89 -0.00 0.00 -0.52 0.00 0.00 55.73 54.31 2jpa s ARG 78 Cb 0.13 -0.19 0.10 0.00 0.52 0.00 0.00 34.95 35.52 2jpa s ARG 78 CO 0.78 0.01 1.47 0.66 0.02 0.00 0.00 175.30 178.24 2jpa h SER 79 N 4.10 0.44 -0.27 0.23 4.64 -1.97 -1.26 113.55 119.45 2jpa h SER 79 Ca -0.35 -0.28 -0.05 0.00 -0.47 0.00 0.00 61.79 60.64 2jpa h SER 79 Cb 1.19 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 2jpa h SER 79 CO 0.48 1.00 -0.00 -2.24 -0.87 0.00 0.00 176.83 175.19 2jpa h ASP 80 N 0.26 0.55 -0.22 4.97 2.03 -1.98 0.21 116.42 122.25 2jpa h ASP 80 Ca -0.02 -0.11 -0.07 0.00 -0.73 0.00 0.00 57.03 56.10 2jpa h ASP 80 Cb 1.24 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 39.59 2jpa h ASP 80 CO 0.12 0.62 -0.12 0.45 -1.03 0.00 0.00 179.24 179.28 2jpa h HIS 81 N 0.56 0.54 -0.18 4.15 3.86 -1.94 -1.25 115.15 120.89 2jpa h HIS 81 Ca 0.12 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 2jpa h HIS 81 Cb 0.36 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 2jpa h HIS 81 CO 0.01 0.76 0.05 1.25 0.86 0.00 0.00 177.93 180.86 2jpa h LEU 82 N 0.17 0.26 -1.25 2.43 6.46 -0.82 0.30 115.31 122.85 2jpa h LEU 82 Ca 0.05 -0.21 -0.00 0.00 -0.12 0.00 0.00 57.88 57.59 2jpa h LEU 82 Cb 0.62 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 2jpa h LEU 82 CO 0.03 0.40 0.41 0.50 -0.62 0.00 0.00 178.44 179.16 2jpa h LYS 83 N 0.10 0.92 -0.03 1.25 3.64 -0.66 0.41 116.57 122.21 2jpa h LYS 83 Ca 0.06 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2jpa h LYS 83 Cb 0.23 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2jpa h LYS 83 CO -0.00 0.64 0.00 1.15 -2.27 0.00 0.00 179.45 178.97 2jpa h THR 84 N 0.93 1.23 -0.42 1.00 2.02 -0.86 -2.93 112.91 113.89 2jpa h THR 84 Ca 0.24 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 2jpa h THR 84 Cb -0.04 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 2jpa h THR 84 CO -0.05 0.19 0.19 -0.74 0.37 0.00 0.00 175.52 175.48 2jpa h HIS 85 N -0.24 0.57 -0.92 3.16 -0.00 -0.05 -1.81 115.15 115.86 2jpa h HIS 85 Ca 0.01 -0.01 0.12 0.00 -0.00 0.00 0.00 60.37 60.48 2jpa h HIS 85 Cb 0.30 -0.18 -0.08 0.00 -0.00 0.00 0.00 27.41 27.45 2jpa h HIS 85 CO 0.03 0.44 0.55 1.15 -0.00 0.00 0.00 177.93 180.09 2jpa h THR 86 N 0.58 0.88 0.00 6.26 2.02 -0.01 -0.15 112.91 122.49 2jpa h THR 86 Ca 0.15 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 2jpa h THR 86 Cb 0.09 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.44 2jpa h THR 86 CO -0.02 0.16 -0.03 0.03 0.37 0.00 0.00 175.52 176.03 2jpa h ARG 87 N 0.87 0.00 -0.83 6.66 3.08 -1.20 0.02 114.38 122.97 2jpa h ARG 87 Ca 0.46 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.64 2jpa h ARG 87 Cb 0.48 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.47 2jpa h ARG 87 CO -0.28 0.03 0.54 1.15 -1.07 0.00 0.00 179.97 180.35 2jpa h THR 88 N 0.00 0.85 0.00 2.04 2.02 -1.11 0.12 112.91 116.83 2jpa h THR 88 Ca -0.00 -0.21 -0.23 0.00 0.77 0.00 0.00 66.41 66.73 2jpa h THR 88 Cb 0.14 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 66.68 2jpa h THR 88 CO 0.00 0.11 -1.38 0.45 0.37 0.00 0.00 175.52 175.08 2jpa h HIS 89 N 0.62 0.00 -0.01 3.16 3.86 -1.12 -3.36 115.15 118.31 2jpa h HIS 89 Ca 0.41 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 2jpa h HIS 89 Cb 0.70 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.17 2jpa h HIS 89 CO -0.00 0.88 -0.37 0.25 0.86 0.00 0.00 177.93 179.54 2jpa n THR 90 N -3.10 0.00 -0.98 2.45 -2.24 -0.74 -4.94 114.28 104.73 2jpa n THR 90 Ca -0.10 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2jpa n THR 90 Cb 0.96 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 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 0.21 3.56 3.38 0.00 0.35 -4.92 105.19 109.15 2jpa n GLY 91 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 2jpa n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jpa s GLU 92 N -1.19 2.69 -0.66 1.61 2.02 -1.18 -4.88 118.70 117.11 2jpa s GLU 92 Ca 0.00 0.02 0.05 0.00 0.02 0.00 0.00 54.97 55.06 2jpa s GLU 92 Cb 0.00 -4.76 0.18 0.00 0.10 0.00 0.00 34.13 29.64 2jpa s GLU 92 CO 0.00 -2.97 0.51 1.63 0.02 0.00 0.00 175.26 174.44 2jpa n LYS 93 N 9.02 1.70 0.18 1.61 5.02 -1.26 -4.41 118.16 130.03 2jpa n LYS 93 Ca 0.30 -4.34 0.12 0.00 -2.02 0.00 0.00 58.31 52.37 2jpa n LYS 93 Cb 0.49 -2.20 0.22 0.00 -0.02 0.00 0.00 35.03 33.53 2jpa n LYS 93 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2jpa h PRO 94 N 5.26 0.00 -5.29 1.97 0.13 -1.84 -3.38 132.00 128.86 2jpa h PRO 94 Ca 0.17 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.59 2jpa h PRO 94 Cb 0.76 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.76 2jpa h PRO 94 CO 0.69 0.00 1.69 -0.06 -0.23 0.00 0.00 178.00 180.08 2jpa s PHE 95 N -3.19 3.14 0.12 1.56 0.08 -0.37 -4.91 117.98 114.40 2jpa s PHE 95 Ca 0.08 -1.83 -0.17 0.00 0.12 0.00 0.00 56.93 55.13 2jpa s PHE 95 Cb 0.07 -4.51 -0.07 0.00 -0.57 0.00 0.00 43.02 37.94 2jpa s PHE 95 CO 0.66 -1.60 0.56 0.45 -0.10 0.00 0.00 175.22 175.19 2jpa s SER 96 N 3.55 6.93 0.20 1.36 0.15 -1.26 -0.78 113.70 123.86 2jpa s SER 96 Ca 0.47 1.17 -0.30 0.00 0.70 0.00 0.00 55.95 57.99 2jpa s SER 96 Cb 0.00 -2.32 -0.09 0.00 -1.71 0.00 0.00 66.02 61.90 2jpa s SER 96 CO 0.02 0.18 1.27 0.00 1.20 0.00 0.00 173.24 175.91 2jpa n ARG 98 N 2.45 2.49 -1.54 0.00 3.00 -1.26 -4.11 116.66 117.69 2jpa n ARG 98 Ca 0.05 -2.09 -0.36 0.00 -0.01 0.00 0.00 57.85 55.43 2jpa n ARG 98 Cb 0.43 -1.36 0.08 0.00 0.00 0.00 0.00 32.46 31.62 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 0.90 1.48 0.67 -1.55 7.02 -1.26 -4.85 117.44 119.86 2jpa n TRP 99 Ca 0.15 0.41 0.00 0.00 -1.02 0.00 0.00 57.50 57.04 2jpa n TRP 99 Cb 0.47 -2.19 0.00 0.00 -2.42 0.00 0.00 31.31 27.17 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 -2.07 0.67 -0.42 -0.99 -0.04 -1.26 -2.21 135.00 128.69 2jpa n PRO 100 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2jpa n PRO 100 Cb 0.49 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 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 0.00 -3.75 3.54 7.64 -1.26 -5.14 113.62 115.00 2jpa n SER 101 Ca 0.00 -0.99 -0.12 0.00 1.01 0.00 0.00 58.87 58.77 2jpa n SER 101 Cb 0.23 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.35 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 0.88 1.01 -1.29 0.00 1.13 -1.26 -3.99 117.38 113.86 2jpa n GLN 103 Ca -0.20 -2.39 -0.29 0.00 -1.94 0.00 0.00 57.00 52.18 2jpa n GLN 103 Cb 0.58 -0.56 0.14 0.00 0.11 0.00 0.00 30.24 30.51 2jpa n GLN 103 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2jpa s LYS 104 N -1.63 1.22 0.03 -1.09 1.02 -1.26 -4.69 119.74 113.34 2jpa s LYS 104 Ca 0.22 0.68 0.05 0.00 0.02 0.00 0.00 55.97 56.94 2jpa s LYS 104 Cb 0.33 -1.82 -0.02 0.00 -0.52 0.00 0.00 37.83 35.80 2jpa s LYS 104 CO -0.09 -2.23 -0.15 0.15 -0.92 0.00 0.00 175.35 172.11 2jpa s LYS 105 N -5.01 1.06 0.09 1.68 1.02 -1.26 -0.40 119.74 116.92 2jpa s LYS 105 Ca 0.63 -0.76 0.03 0.00 0.02 0.00 0.00 55.97 55.89 2jpa s LYS 105 Cb -0.17 -1.08 -0.04 0.00 -0.52 0.00 0.00 37.83 36.02 2jpa s LYS 105 CO 0.56 0.27 -0.09 -0.06 -0.92 0.00 0.00 175.35 175.11 2jpa s PHE 106 N -0.77 1.00 -2.59 3.18 0.08 0.04 -4.95 117.98 113.97 2jpa s PHE 106 Ca 0.03 -0.69 0.23 0.00 0.12 0.00 0.00 56.93 56.63 2jpa s PHE 106 Cb -0.08 -0.55 0.37 0.00 -0.57 0.00 0.00 43.02 42.19 2jpa s PHE 106 CO 0.01 -0.03 1.37 0.00 -0.10 0.00 0.00 175.22 176.47 2jpa n ALA 107 N 0.52 2.43 -3.18 5.36 0.00 -1.26 -1.24 120.51 123.13 2jpa n ALA 107 Ca -0.16 -0.93 -0.19 0.00 0.00 0.00 0.00 53.44 52.16 2jpa n ALA 107 Cb 0.58 -0.85 -0.15 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 -1.60 0.73 0.21 0.00 0.52 -1.26 -4.90 118.95 112.65 2jpa s ARG 108 Ca 0.36 -0.19 -0.09 0.00 -0.52 0.00 0.00 55.73 55.29 2jpa s ARG 108 Cb 0.22 -0.72 0.24 0.00 0.52 0.00 0.00 34.95 35.21 2jpa s ARG 108 CO 0.31 0.04 1.82 1.03 0.02 0.00 0.00 175.30 178.52 2jpa h SER 109 N 6.57 0.59 0.05 0.23 0.87 -1.95 -1.60 113.55 118.31 2jpa h SER 109 Ca -0.34 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.15 2jpa h SER 109 Cb 1.17 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 2jpa h SER 109 CO 0.49 0.39 -0.28 -2.24 -0.53 0.00 0.00 176.83 174.66 2jpa h ASP 110 N 0.73 0.36 -0.77 6.23 2.03 -1.98 0.13 116.42 123.15 2jpa h ASP 110 Ca 0.30 -0.12 -0.00 0.00 -0.73 0.00 0.00 57.03 56.47 2jpa h ASP 110 Cb 0.16 -0.10 -0.04 0.00 -0.83 0.00 0.00 39.33 38.52 2jpa h ASP 110 CO -0.17 0.64 0.47 -0.33 -1.03 0.00 0.00 179.24 178.83 2jpa h GLU 111 N 0.32 1.03 -0.48 4.15 5.08 -1.74 0.25 114.58 123.20 2jpa h GLU 111 Ca 0.05 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2jpa h GLU 111 Cb 0.66 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2jpa h GLU 111 CO 0.05 0.72 0.04 1.25 -1.00 0.00 0.00 179.01 180.07 2jpa h LEU 112 N 1.05 0.79 -0.35 1.33 5.85 -0.83 0.89 115.31 124.04 2jpa h LEU 112 Ca 0.28 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.74 2jpa h LEU 112 Cb -0.06 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 2jpa h LEU 112 CO -0.05 0.88 0.17 0.58 -0.34 0.00 0.00 178.44 179.67 2jpa h VAL 113 N 0.68 0.97 -0.30 1.05 2.07 -0.61 -0.22 116.25 119.89 2jpa h VAL 113 Ca 0.14 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 2jpa h VAL 113 Cb 0.45 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2jpa h VAL 113 CO 0.02 0.06 0.17 -0.09 0.02 0.00 0.00 177.57 177.74 2jpa h ARG 114 N 0.34 0.41 -0.22 1.57 2.43 -0.34 -1.03 114.38 117.54 2jpa h ARG 114 Ca 0.15 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.31 2jpa h ARG 114 Cb 0.07 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 2jpa h ARG 114 CO -0.11 0.35 -0.04 1.25 -1.51 0.00 0.00 179.97 179.91 2jpa h HIS 115 N 0.36 -0.09 -0.88 2.20 2.76 -0.45 0.41 115.15 119.45 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 0.05 0.08 -0.06 0.00 1.55 0.00 0.00 27.41 29.03 2jpa h HIS 115 CO -0.03 -0.08 0.57 0.45 -1.30 0.00 0.00 177.93 177.54 2jpa h HIS 116 N 0.02 0.98 0.00 5.26 3.86 -0.85 -0.10 115.15 124.31 2jpa h HIS 116 Ca 0.11 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2jpa h HIS 116 Cb 0.16 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.31 2jpa h HIS 116 CO -0.22 0.48 0.00 -0.97 0.86 0.00 0.00 177.93 178.08 2jpa h ASN 117 N 0.94 0.00 -0.02 2.45 -0.00 0.41 -1.76 115.58 117.60 2jpa h ASN 117 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.69 2jpa h ASN 117 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.62 2jpa h ASN 117 CO -0.16 0.00 -0.13 0.23 -0.00 0.00 0.00 177.43 177.37 2jpa n MET 118 N -2.88 1.64 0.00 6.67 2.81 -0.20 -5.09 117.12 120.08 2jpa n MET 118 Ca 0.01 -1.40 0.09 0.00 -1.81 0.00 0.00 57.70 54.59 2jpa n MET 118 Cb 0.27 -1.36 0.51 0.00 -0.71 0.00 0.00 33.22 31.93 2jpa n MET 118 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06