#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 0.14 0.53 0.00 4.64 -2.05 -0.14 113.55 116.67 2jpa h SER 2 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2jpa h SER 2 Cb 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2jpa h SER 2 CO 0.00 0.24 0.00 -1.84 -0.87 0.00 0.00 176.83 174.36 2jpa n GLU 3 N -4.37 0.13 -0.18 4.77 0.00 -1.26 -2.61 120.64 117.12 2jpa n GLU 3 Ca -0.01 0.14 0.07 0.00 0.00 0.00 0.00 57.16 57.36 2jpa n GLU 3 Cb 0.20 -1.50 0.10 0.00 0.00 0.00 0.00 31.44 30.24 2jpa n GLU 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2jpa n LYS 4 N -1.40 0.95 -1.75 3.44 4.81 -0.12 -5.09 118.16 119.00 2jpa n LYS 4 Ca 0.07 -2.16 -0.36 0.00 -0.87 0.00 0.00 58.31 54.99 2jpa n LYS 4 Cb 0.19 -1.23 0.06 0.00 0.02 0.00 0.00 35.03 34.07 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 -2.11 2.59 0.94 1.64 1.70 -0.84 -5.02 118.95 117.84 2jpa s ARG 5 Ca 0.23 1.86 -0.12 0.00 -0.47 0.00 0.00 55.73 57.24 2jpa s ARG 5 Cb 0.21 -1.88 0.16 0.00 -0.57 0.00 0.00 34.95 32.86 2jpa s ARG 5 CO 0.02 -1.52 1.11 -1.25 -1.08 0.00 0.00 175.30 172.58 2jpa s PRO 6 N -3.55 0.89 0.69 3.89 0.04 -1.26 -5.08 135.00 130.62 2jpa s PRO 6 Ca 0.78 0.51 -0.02 0.00 0.04 0.00 0.00 61.00 62.31 2jpa s PRO 6 Cb -0.32 -1.79 0.10 0.00 0.04 0.00 0.00 34.50 32.53 2jpa s PRO 6 CO 0.39 -2.42 0.96 -0.06 0.04 0.00 0.00 177.00 175.91 2jpa s PHE 7 N -3.06 2.12 0.09 0.56 0.08 -0.21 -4.91 117.98 112.65 2jpa s PHE 7 Ca 0.64 -0.07 0.02 0.00 0.12 0.00 0.00 56.93 57.64 2jpa s PHE 7 Cb -0.17 -3.02 -0.04 0.00 -0.57 0.00 0.00 43.02 39.22 2jpa s PHE 7 CO 0.56 -1.50 -0.07 -1.64 -0.10 0.00 0.00 175.22 172.48 2jpa s MET 8 N -5.10 0.79 0.19 0.44 -1.94 -1.26 -0.98 119.30 111.44 2jpa s MET 8 Ca 0.63 -1.26 0.07 0.00 -1.71 0.00 0.00 55.69 53.43 2jpa s MET 8 Cb -0.07 -0.19 -0.04 0.00 2.01 0.00 0.00 34.83 36.53 2jpa s MET 8 CO 0.43 -0.01 0.02 0.00 -0.01 0.00 0.00 175.02 175.45 2jpa n ALA 10 N -0.33 2.30 -2.67 0.00 0.00 -1.26 -4.54 120.51 114.02 2jpa n ALA 10 Ca -0.09 -0.90 -0.37 0.00 0.00 0.00 0.00 53.44 52.08 2jpa n ALA 10 Cb 0.56 -0.39 -0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.95 3.35 -1.11 0.00 5.04 -1.26 -5.01 117.35 117.41 2jpa s TYR 11 Ca 0.18 0.42 -0.23 0.00 -2.44 0.00 0.00 57.07 55.01 2jpa s TYR 11 Cb 0.10 -2.39 -0.05 0.00 0.35 0.00 0.00 41.96 39.97 2jpa s TYR 11 CO 0.14 0.04 1.89 -1.25 -1.34 0.00 0.00 175.55 175.03 2jpa s PRO 12 N 1.14 2.74 0.00 4.97 0.04 -1.26 -2.43 135.00 140.20 2jpa s PRO 12 Ca 0.13 -1.00 0.00 0.00 0.04 0.00 0.00 61.00 60.17 2jpa s PRO 12 Cb -0.14 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.17 2jpa s PRO 12 CO 0.06 -3.51 0.00 0.41 0.04 0.00 0.00 177.00 173.99 2jpa n GLY 13 N 6.13 0.15 0.70 0.56 0.00 -1.26 -5.16 105.19 106.31 2jpa n GLY 13 Ca 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.41 2jpa n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jpa h ASN 15 N -0.17 0.71 0.00 0.00 2.35 -1.97 -3.46 115.58 113.05 2jpa h ASN 15 Ca -0.06 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2jpa h ASN 15 Cb 0.22 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2jpa h ASN 15 CO 0.06 0.58 0.00 1.17 -1.65 0.00 0.00 177.43 177.59 2jpa n LYS 16 N -4.39 -0.59 -3.81 0.81 3.00 -1.26 -4.91 118.16 107.00 2jpa n LYS 16 Ca 0.05 0.15 -0.12 0.00 -0.00 0.00 0.00 58.31 58.39 2jpa n LYS 16 Cb 0.10 -3.75 -0.11 0.00 0.00 0.00 0.00 35.03 31.27 2jpa n LYS 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2jpa s ARG 17 N -0.76 0.39 0.22 1.64 1.81 -1.26 -1.80 118.95 119.18 2jpa s ARG 17 Ca 0.00 0.02 -0.06 0.00 -1.72 0.00 0.00 55.73 53.98 2jpa s ARG 17 Cb 0.00 0.18 -0.03 0.00 -0.45 0.00 0.00 34.95 34.65 2jpa s ARG 17 CO 0.00 -0.08 0.27 0.71 -0.68 0.00 0.00 175.30 175.52 2jpa s TYR 18 N -0.55 0.83 -0.06 -0.53 1.51 -0.15 -4.74 117.35 113.66 2jpa s TYR 18 Ca -0.06 -1.11 0.03 0.00 -1.01 0.00 0.00 57.07 54.91 2jpa s TYR 18 Cb -0.04 -0.25 -0.04 0.00 -0.11 0.00 0.00 41.96 41.52 2jpa s TYR 18 CO 0.01 -0.78 0.08 1.19 -1.11 0.00 0.00 175.55 174.94 2jpa n PHE 19 N -0.32 0.00 -4.08 2.71 3.72 -1.26 -1.04 117.46 117.19 2jpa n PHE 19 Ca 0.01 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.16 2jpa n PHE 19 Cb 0.64 -0.04 -0.17 0.00 -0.94 0.00 0.00 39.48 38.98 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 -1.80 1.30 0.20 -1.08 -0.14 -1.26 -4.85 119.74 112.11 2jpa s LYS 20 Ca -0.00 -0.21 -0.13 0.00 -1.36 0.00 0.00 55.97 54.28 2jpa s LYS 20 Cb 0.02 -1.32 0.24 0.00 -1.68 0.00 0.00 37.83 35.09 2jpa s LYS 20 CO 0.11 -0.18 1.65 1.25 -0.76 0.00 0.00 175.35 177.43 2jpa h LEU 21 N 7.76 -0.40 -0.20 3.17 5.85 -1.98 0.18 115.31 129.69 2jpa h LEU 21 Ca -0.30 0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 2jpa h LEU 21 Cb 1.15 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 2jpa h LEU 21 CO 0.41 -0.15 -0.08 0.77 -0.34 0.00 0.00 178.44 179.04 2jpa h SER 22 N 0.05 0.41 0.19 1.25 4.64 -1.98 0.17 113.55 118.29 2jpa h SER 22 Ca 0.30 -0.40 -0.06 0.00 -0.47 0.00 0.00 61.79 61.16 2jpa h SER 22 Cb 0.47 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2jpa h SER 22 CO -0.56 0.72 -0.23 1.12 -0.87 0.00 0.00 176.83 177.01 2jpa h HIS 23 N 0.10 0.09 -0.14 4.77 2.07 -1.83 0.15 115.15 120.37 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 0.32 -0.77 1.25 -3.07 0.00 0.00 177.93 175.72 2jpa h LEU 24 N 0.08 0.87 -0.68 6.12 7.12 -0.61 -1.52 115.31 126.69 2jpa h LEU 24 Ca 0.01 -0.57 0.04 0.00 0.13 0.00 0.00 57.88 57.49 2jpa h LEU 24 Cb 0.46 -0.26 -0.05 0.00 -0.53 0.00 0.00 40.66 40.28 2jpa h LEU 24 CO 0.03 1.36 0.41 -0.61 -0.13 0.00 0.00 178.44 179.50 2jpa h GLN 25 N 0.50 0.77 -0.39 1.25 4.15 0.74 0.69 115.11 122.82 2jpa h GLN 25 Ca -0.05 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 2jpa h GLN 25 Cb 1.39 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.89 2jpa h GLN 25 CO 0.15 0.51 0.18 0.52 -1.93 0.00 0.00 178.83 178.26 2jpa h MET 26 N 0.79 0.57 -0.54 1.69 2.86 -0.78 -2.84 114.93 116.68 2jpa h MET 26 Ca 0.28 -0.09 0.06 0.00 -2.06 0.00 0.00 59.70 57.89 2jpa h MET 26 Cb 0.07 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 2jpa h MET 26 CO -0.13 0.52 0.36 1.25 1.06 0.00 0.00 176.91 179.97 2jpa h HIS 27 N 0.49 0.50 -0.52 -0.22 -0.00 -0.16 -1.58 115.15 113.67 2jpa h HIS 27 Ca 0.13 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.55 2jpa h HIS 27 Cb 0.14 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.36 2jpa h HIS 27 CO -0.01 0.27 0.34 0.66 -0.00 0.00 0.00 177.93 179.19 2jpa h SER 28 N 0.50 0.49 -0.92 3.26 4.64 -0.65 -1.58 113.55 119.28 2jpa h SER 28 Ca 0.24 -0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.67 2jpa h SER 28 Cb 0.29 -0.11 -0.07 0.00 -0.31 0.00 0.00 62.40 62.20 2jpa h SER 28 CO -0.06 0.33 0.59 0.03 -0.87 0.00 0.00 176.83 176.85 2jpa h ARG 29 N 0.56 0.80 -0.38 4.77 2.47 -1.35 0.25 114.38 121.49 2jpa h ARG 29 Ca 0.21 -0.05 0.05 0.00 -1.26 0.00 0.00 59.98 58.93 2jpa h ARG 29 Cb 0.14 -0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 28.23 2jpa h ARG 29 CO -0.05 0.53 0.13 -0.22 0.56 0.00 0.00 179.97 180.91 2jpa h LYS 30 N 0.82 0.27 0.00 0.04 3.64 -1.44 -3.16 116.57 116.75 2jpa h LYS 30 Ca 0.45 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.77 2jpa h LYS 30 Cb 0.57 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2jpa h LYS 30 CO -0.21 0.18 -1.09 0.45 -2.27 0.00 0.00 179.45 176.51 2jpa h HIS 31 N 0.28 0.00 0.00 1.91 3.86 -0.95 -3.33 115.15 116.91 2jpa h HIS 31 Ca 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2jpa h HIS 31 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 2jpa h HIS 31 CO -0.15 0.14 0.00 -2.37 0.86 0.00 0.00 177.93 176.41 2jpa n THR 32 N -2.74 1.04 0.17 2.45 5.66 0.62 -0.19 114.28 121.30 2jpa n THR 32 Ca -0.02 0.60 0.07 0.00 -3.05 0.00 0.00 64.05 61.65 2jpa n THR 32 Cb 0.62 -1.58 0.13 0.00 -1.55 0.00 0.00 70.33 67.94 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 -0.99 1.35 0.36 1.09 0.00 -1.25 -4.60 105.19 101.14 2jpa n GLY 33 Ca -0.00 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 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 0.78 0.33 -3.81 1.61 1.02 0.74 -4.89 120.64 116.43 2jpa n GLU 34 Ca 0.11 0.12 -0.34 0.00 -0.02 0.00 0.00 57.16 57.03 2jpa n GLU 34 Cb 0.41 -1.13 -0.11 0.00 -0.02 0.00 0.00 31.44 30.59 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 -2.28 2.33 0.70 3.49 2.36 0.02 -5.10 119.74 121.25 2jpa s LYS 35 Ca -0.20 -2.53 -0.11 0.00 -2.55 0.00 0.00 55.97 50.57 2jpa s LYS 35 Cb 0.07 -3.58 0.01 0.00 -1.05 0.00 0.00 37.83 33.28 2jpa s LYS 35 CO 0.29 -1.14 1.07 -1.25 1.55 0.00 0.00 175.35 175.87 2jpa s PRO 36 N -0.10 2.91 0.70 4.03 0.04 -1.26 -4.77 135.00 136.55 2jpa s PRO 36 Ca 0.17 0.69 -0.05 0.00 0.04 0.00 0.00 61.00 61.85 2jpa s PRO 36 Cb -0.22 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.38 2jpa s PRO 36 CO -0.02 -1.05 0.99 0.71 0.04 0.00 0.00 177.00 177.67 2jpa s TYR 37 N -3.19 2.68 0.08 0.56 1.51 0.54 -4.87 117.35 114.65 2jpa s TYR 37 Ca 0.58 0.28 0.04 0.00 -1.01 0.00 0.00 57.07 56.96 2jpa s TYR 37 Cb -0.12 -3.16 -0.03 0.00 -0.11 0.00 0.00 41.96 38.53 2jpa s TYR 37 CO 0.54 -1.44 -0.12 -1.14 -1.11 0.00 0.00 175.55 172.28 2jpa s GLN 38 N -5.20 0.78 0.23 -0.62 0.74 -1.26 -0.89 119.66 113.44 2jpa s GLN 38 Ca 0.61 -1.00 -0.31 0.00 0.05 0.00 0.00 55.36 54.71 2jpa s GLN 38 Cb -0.10 -0.62 -0.13 0.00 1.10 0.00 0.00 33.01 33.25 2jpa s GLN 38 CO 0.44 0.12 1.43 0.00 -0.55 0.00 0.00 175.29 176.73 2jpa n ASP 40 N 2.27 3.84 -4.70 0.00 5.75 -1.26 -4.78 116.55 117.66 2jpa n ASP 40 Ca 0.12 -2.00 -0.30 0.00 -0.01 0.00 0.00 54.79 52.60 2jpa n ASP 40 Cb 0.31 -0.47 0.14 0.00 -1.03 0.00 0.00 41.12 40.07 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 -1.06 2.18 0.30 2.11 5.36 -1.26 -4.95 117.98 120.67 2jpa s PHE 41 Ca 0.48 1.42 0.17 0.00 -0.96 0.00 0.00 56.93 58.04 2jpa s PHE 41 Cb 0.25 -3.15 0.81 0.00 -0.34 0.00 0.00 43.02 40.58 2jpa s PHE 41 CO 0.33 -2.43 1.82 -0.22 -1.46 0.00 0.00 175.22 173.25 2jpa h LYS 42 N -1.59 0.00 -2.00 10.12 1.63 -2.02 -3.35 116.57 119.36 2jpa h LYS 42 Ca -0.48 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 58.77 2jpa h LYS 42 Cb 1.27 0.00 -0.38 0.00 -0.60 0.00 0.00 32.23 32.52 2jpa h LYS 42 CO 0.51 0.35 -1.07 -3.47 -3.45 0.00 0.00 179.45 172.31 2jpa n ASP 43 N -3.79 -0.02 -3.85 4.20 2.03 -1.26 -5.11 116.55 108.76 2jpa n ASP 43 Ca -0.01 -2.66 -0.08 0.00 0.52 0.00 0.00 54.79 52.56 2jpa n ASP 43 Cb 0.43 -0.56 -0.03 0.00 -0.72 0.00 0.00 41.12 40.24 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 -0.43 0.00 -2.69 0.00 2.13 -1.26 -4.90 120.64 113.49 2jpa n GLU 45 Ca -0.03 -0.99 -0.31 0.00 0.66 0.00 0.00 57.16 56.49 2jpa n GLU 45 Cb 0.60 0.36 -0.03 0.00 0.27 0.00 0.00 31.44 32.64 2jpa n GLU 45 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2jpa s ARG 46 N 0.00 3.84 0.12 5.31 0.52 -1.26 -4.86 118.95 122.62 2jpa s ARG 46 Ca 0.04 0.65 0.09 0.00 -0.52 0.00 0.00 55.73 55.99 2jpa s ARG 46 Cb 0.05 -2.30 -0.04 0.00 0.52 0.00 0.00 34.95 33.18 2jpa s ARG 46 CO -0.02 -0.12 -0.23 1.03 0.02 0.00 0.00 175.30 175.98 2jpa s ARG 47 N -3.92 1.24 0.20 3.54 3.00 -1.26 -0.22 118.95 121.53 2jpa s ARG 47 Ca 0.54 -1.26 0.03 0.00 0.00 0.00 0.00 55.73 55.04 2jpa s ARG 47 Cb -0.10 -1.56 -0.05 0.00 0.00 0.00 0.00 34.95 33.24 2jpa s ARG 47 CO 0.31 0.36 -0.01 -0.06 0.00 0.00 0.00 175.30 175.90 2jpa s PHE 48 N -1.24 1.42 -2.01 -0.53 0.08 -0.07 -4.95 117.98 110.67 2jpa s PHE 48 Ca 0.10 -0.94 0.18 0.00 0.12 0.00 0.00 56.93 56.39 2jpa s PHE 48 Cb -0.09 -0.81 0.08 0.00 -0.57 0.00 0.00 43.02 41.63 2jpa s PHE 48 CO 0.05 -0.09 1.01 0.45 -0.10 0.00 0.00 175.22 176.54 2jpa n SER 49 N -0.34 2.20 -3.65 1.36 2.88 -1.26 -0.34 113.62 114.47 2jpa n SER 49 Ca -0.06 -1.60 -0.14 0.00 -1.33 0.00 0.00 58.87 55.74 2jpa n SER 49 Cb 0.63 0.19 -0.07 0.00 -0.75 0.00 0.00 64.21 64.22 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 -1.73 0.91 0.42 -1.46 3.52 -1.26 -4.72 118.95 114.62 2jpa s ARG 50 Ca 0.19 -0.21 0.10 0.00 -0.13 0.00 0.00 55.73 55.68 2jpa s ARG 50 Cb 0.15 0.41 0.93 0.00 -1.56 0.00 0.00 34.95 34.88 2jpa s ARG 50 CO 0.31 -0.30 2.00 1.03 -0.81 0.00 0.00 175.30 177.54 2jpa h SER 51 N 3.16 0.44 -0.37 -2.12 0.87 -1.99 -1.42 113.55 112.11 2jpa h SER 51 Ca -0.30 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.16 2jpa h SER 51 Cb 1.19 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 2jpa h SER 51 CO 0.42 0.29 -0.15 -0.78 -0.53 0.00 0.00 176.83 176.08 2jpa h ASP 52 N 0.50 0.78 -0.64 6.23 3.58 -1.98 0.93 116.42 125.82 2jpa h ASP 52 Ca 0.24 -0.39 -0.01 0.00 0.42 0.00 0.00 57.03 57.29 2jpa h ASP 52 Cb 0.30 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.10 2jpa h ASP 52 CO -0.07 0.99 0.36 1.56 -2.88 0.00 0.00 179.24 179.20 2jpa h GLN 53 N 0.56 0.90 -0.16 0.28 4.20 -1.74 0.32 115.11 119.46 2jpa h GLN 53 Ca 0.09 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2jpa h GLN 53 Cb 0.68 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 2jpa h GLN 53 CO 0.05 0.67 0.05 1.25 -0.67 0.00 0.00 178.83 180.18 2jpa h LEU 54 N 0.88 0.23 -0.85 1.46 5.85 -1.19 0.75 115.31 122.45 2jpa h LEU 54 Ca 0.23 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 2jpa h LEU 54 Cb 0.04 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2jpa h LEU 54 CO -0.04 0.38 0.28 0.11 -0.34 0.00 0.00 178.44 178.84 2jpa h LYS 55 N 0.07 1.13 -0.44 1.25 1.79 -0.53 0.07 116.57 119.91 2jpa h LYS 55 Ca 0.05 -0.21 0.02 0.00 -2.18 0.00 0.00 60.65 58.33 2jpa h LYS 55 Cb 0.23 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.67 2jpa h LYS 55 CO -0.00 0.93 0.26 0.00 -1.08 0.00 0.00 179.45 179.56 2jpa h ARG 56 N 1.10 0.51 -0.83 3.15 3.08 -0.27 -2.77 114.38 118.35 2jpa h ARG 56 Ca 0.25 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 2jpa h ARG 56 Cb 0.23 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 2jpa h ARG 56 CO -0.02 0.34 0.51 1.25 -1.07 0.00 0.00 179.97 180.99 2jpa h HIS 57 N 0.53 1.08 -0.95 3.04 2.76 -0.01 -0.94 115.15 120.66 2jpa h HIS 57 Ca 0.18 0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.50 2jpa h HIS 57 Cb 0.01 -0.36 -0.08 0.00 1.55 0.00 0.00 27.41 28.53 2jpa h HIS 57 CO -0.07 0.71 0.60 1.96 -1.30 0.00 0.00 177.93 179.83 2jpa h GLN 58 N 1.14 0.77 -0.49 5.26 1.08 -0.74 -0.21 115.11 121.92 2jpa h GLN 58 Ca 0.30 -0.05 0.06 0.00 -1.45 0.00 0.00 58.65 57.52 2jpa h GLN 58 Cb -0.07 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.16 2jpa h GLN 58 CO -0.06 0.51 0.33 0.00 -0.95 0.00 0.00 178.83 178.66 2jpa h ARG 59 N 0.79 0.38 -0.68 1.46 3.08 -0.96 0.18 114.38 118.63 2jpa h ARG 59 Ca 0.49 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.48 2jpa h ARG 59 Cb 0.69 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 2jpa h ARG 59 CO -0.25 0.25 0.28 -0.09 -1.07 0.00 0.00 179.97 179.10 2jpa h ARG 60 N 0.39 1.00 0.24 0.04 2.43 -1.03 0.20 114.38 117.64 2jpa h ARG 60 Ca 0.21 -0.16 -0.34 0.00 -0.81 0.00 0.00 59.98 58.88 2jpa h ARG 60 Cb 0.34 -0.17 0.03 0.00 -0.42 0.00 0.00 29.97 29.75 2jpa h ARG 60 CO -0.05 0.80 -1.54 0.45 -1.51 0.00 0.00 179.97 178.12 2jpa h HIS 61 N 0.98 0.93 0.00 2.20 3.86 -0.99 -3.32 115.15 118.81 2jpa h HIS 61 Ca 0.23 -0.68 -0.04 0.00 -1.16 0.00 0.00 60.37 58.73 2jpa h HIS 61 Cb 0.17 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 2jpa h HIS 61 CO 0.01 1.59 -0.18 1.79 0.86 0.00 0.00 177.93 182.00 2jpa h THR 62 N 0.14 0.31 -0.00 2.45 1.35 -0.73 -3.47 112.91 112.96 2jpa h THR 62 Ca -0.28 -1.44 -0.00 0.00 -0.55 0.00 0.00 66.41 64.14 2jpa h THR 62 Cb 2.16 2.15 -0.00 0.00 -1.73 0.00 0.00 68.15 70.73 2jpa h THR 62 CO 0.26 0.18 -0.00 0.61 -0.25 0.00 0.00 175.52 176.31 2jpa n GLY 63 N 1.15 0.47 3.56 5.82 0.00 0.67 -4.97 105.19 111.88 2jpa n GLY 63 Ca 0.03 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.94 3.43 -0.70 1.61 1.01 -1.03 -4.92 120.40 117.86 2jpa s VAL 64 Ca 0.00 0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.34 2jpa s VAL 64 Cb 0.00 -3.96 0.17 0.00 0.00 0.00 0.00 36.38 32.58 2jpa s VAL 64 CO 0.00 -0.87 0.48 -0.54 0.00 0.00 0.00 175.10 174.17 2jpa s LYS 65 N 6.61 2.45 0.39 2.72 1.02 -1.26 -4.58 119.74 127.09 2jpa s LYS 65 Ca 0.67 -3.29 0.23 0.00 0.02 0.00 0.00 55.97 53.60 2jpa s LYS 65 Cb -0.14 -3.43 0.33 0.00 -0.52 0.00 0.00 37.83 34.07 2jpa s LYS 65 CO 0.23 -1.27 1.56 -1.00 -0.92 0.00 0.00 175.35 173.95 2jpa h PRO 66 N 5.50 0.00 -4.96 -1.68 0.13 -1.84 -3.38 132.00 125.77 2jpa h PRO 66 Ca 0.13 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.56 2jpa h PRO 66 Cb 0.77 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.83 2jpa h PRO 66 CO 0.72 0.00 2.65 1.19 -0.23 0.00 0.00 178.00 182.33 2jpa n PHE 67 N -2.98 4.13 -3.28 1.56 3.72 -0.29 -4.90 117.46 115.42 2jpa n PHE 67 Ca 0.04 -2.91 -0.38 0.00 -0.05 0.00 0.00 57.45 54.15 2jpa n PHE 67 Cb 0.52 -2.60 -0.06 0.00 -0.94 0.00 0.00 39.48 36.41 2jpa n PHE 67 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2jpa s GLN 68 N 3.72 4.35 0.15 -1.08 0.74 -1.26 -0.65 119.66 125.62 2jpa s GLN 68 Ca 0.51 0.51 -0.31 0.00 0.05 0.00 0.00 55.36 56.11 2jpa s GLN 68 Cb 0.09 -3.44 -0.10 0.00 1.10 0.00 0.00 33.01 30.66 2jpa s GLN 68 CO -0.00 0.13 1.57 0.00 -0.55 0.00 0.00 175.29 176.44 2jpa n LYS 70 N 4.18 0.81 -0.05 0.00 4.76 -1.26 -3.22 118.16 123.38 2jpa n LYS 70 Ca 0.14 -0.49 -0.16 0.00 -2.87 0.00 0.00 58.31 54.94 2jpa n LYS 70 Cb 0.39 -1.49 -0.13 0.00 -1.84 0.00 0.00 35.03 31.96 2jpa n LYS 70 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2jpa h THR 71 N 1.18 1.70 0.00 -0.18 2.02 -1.99 -3.47 112.91 112.18 2jpa h THR 71 Ca 0.00 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.80 2jpa h THR 71 Cb 0.51 3.31 0.00 0.00 -1.74 0.00 0.00 68.15 70.23 2jpa h THR 71 CO 0.00 0.62 0.00 0.00 0.37 0.00 0.00 175.52 176.51 2jpa n GLN 73 N 0.00 0.00 -1.77 0.00 -0.00 -1.20 -4.94 117.38 109.48 2jpa n GLN 73 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.58 2jpa n GLN 73 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 30.24 30.21 2jpa n GLN 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2jpa s ARG 74 N 0.00 4.15 -0.25 2.61 1.81 -1.26 -4.55 118.95 121.46 2jpa s ARG 74 Ca 0.00 2.50 -0.13 0.00 -1.72 0.00 0.00 55.73 56.38 2jpa s ARG 74 Cb 0.00 -4.11 -0.04 0.00 -0.45 0.00 0.00 34.95 30.35 2jpa s ARG 74 CO 0.00 -0.92 0.27 0.15 -0.68 0.00 0.00 175.30 174.11 2jpa s LYS 75 N 4.33 4.05 0.23 3.54 1.02 -1.26 -0.30 119.74 131.34 2jpa s LYS 75 Ca 0.84 -0.12 0.10 0.00 0.02 0.00 0.00 55.97 56.81 2jpa s LYS 75 Cb -0.40 -3.60 -0.04 0.00 -0.52 0.00 0.00 37.83 33.27 2jpa s LYS 75 CO 0.38 -0.10 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.58 2jpa s PHE 76 N 1.53 2.61 -2.01 3.18 0.08 0.17 -4.93 117.98 118.62 2jpa s PHE 76 Ca 0.11 -0.24 0.16 0.00 0.12 0.00 0.00 56.93 57.09 2jpa s PHE 76 Cb -0.15 -1.21 0.16 0.00 -0.57 0.00 0.00 43.02 41.25 2jpa s PHE 76 CO 0.08 0.58 1.05 -1.13 -0.10 0.00 0.00 175.22 175.71 2jpa n SER 77 N -0.42 2.46 -3.81 1.36 3.41 -1.26 -1.14 113.62 114.21 2jpa n SER 77 Ca -0.08 -1.71 -0.17 0.00 -0.26 0.00 0.00 58.87 56.64 2jpa n SER 77 Cb 0.57 -0.03 -0.16 0.00 -0.26 0.00 0.00 64.21 64.33 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 -1.35 0.32 0.53 4.33 0.52 -1.26 -4.91 118.95 117.13 2jpa s ARG 78 Ca 0.21 0.08 0.23 0.00 -0.52 0.00 0.00 55.73 55.73 2jpa s ARG 78 Cb 0.14 -0.52 1.43 0.00 0.52 0.00 0.00 34.95 36.53 2jpa s ARG 78 CO 0.21 -0.15 2.12 0.66 0.02 0.00 0.00 175.30 178.17 2jpa h SER 79 N 7.33 0.00 -0.16 0.23 4.64 -1.97 -1.30 113.55 122.32 2jpa h SER 79 Ca -0.40 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.81 2jpa h SER 79 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 2jpa h SER 79 CO 0.45 0.08 -0.26 -2.24 -0.87 0.00 0.00 176.83 174.00 2jpa h ASP 80 N 0.00 0.63 0.23 4.97 3.04 -1.98 0.24 116.42 123.55 2jpa h ASP 80 Ca -0.00 -0.23 -0.26 0.00 -3.24 0.00 0.00 57.03 53.30 2jpa h ASP 80 Cb 0.18 -0.17 0.01 0.00 -1.04 0.00 0.00 39.33 38.31 2jpa h ASP 80 CO 0.01 0.86 -1.08 0.45 -2.04 0.00 0.00 179.24 177.45 2jpa h HIS 81 N 0.54 0.81 -0.17 4.15 3.86 -1.79 -1.52 115.15 121.03 2jpa h HIS 81 Ca 0.07 -0.47 -0.02 0.00 -1.16 0.00 0.00 60.37 58.79 2jpa h HIS 81 Cb 0.72 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.11 2jpa h HIS 81 CO 0.03 1.31 0.04 1.25 0.86 0.00 0.00 177.93 181.42 2jpa h LEU 82 N 0.27 0.26 -0.88 2.43 6.46 -1.11 0.22 115.31 122.96 2jpa h LEU 82 Ca -0.13 -0.23 -0.02 0.00 -0.12 0.00 0.00 57.88 57.38 2jpa h LEU 82 Cb 1.74 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 41.56 2jpa h LEU 82 CO 0.20 0.42 0.46 0.50 -0.62 0.00 0.00 178.44 179.40 2jpa h LYS 83 N 0.08 1.25 -0.03 1.25 3.64 -0.59 0.53 116.57 122.70 2jpa h LYS 83 Ca 0.05 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2jpa h LYS 83 Cb 0.27 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2jpa h LYS 83 CO 0.00 0.93 0.01 1.15 -2.27 0.00 0.00 179.45 179.27 2jpa h THR 84 N 1.24 1.08 -0.32 1.00 2.02 -1.10 -2.14 112.91 114.69 2jpa h THR 84 Ca 0.31 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 67.20 2jpa h THR 84 Cb 0.06 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2jpa h THR 84 CO -0.05 0.06 -0.08 -0.74 0.37 0.00 0.00 175.52 175.09 2jpa h HIS 85 N -0.05 0.57 -0.87 3.16 -0.00 -0.22 -1.32 115.15 116.43 2jpa h HIS 85 Ca 0.01 -0.08 0.05 0.00 -0.00 0.00 0.00 60.37 60.35 2jpa h HIS 85 Cb 0.09 -0.16 -0.06 0.00 -0.00 0.00 0.00 27.41 27.28 2jpa h HIS 85 CO -0.05 0.61 0.55 1.15 -0.00 0.00 0.00 177.93 180.19 2jpa h THR 86 N 0.50 1.08 0.00 6.26 2.02 0.28 0.73 112.91 123.78 2jpa h THR 86 Ca 0.10 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 2jpa h THR 86 Cb 0.45 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 2jpa h THR 86 CO 0.02 0.19 -0.17 0.03 0.37 0.00 0.00 175.52 175.96 2jpa h ARG 87 N 1.02 0.00 -0.01 6.66 3.08 -0.59 0.17 114.38 124.71 2jpa h ARG 87 Ca 0.37 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.36 2jpa h ARG 87 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2jpa h ARG 87 CO -0.15 0.17 -0.25 1.15 -1.07 0.00 0.00 179.97 179.82 2jpa h THR 88 N 0.00 1.18 0.00 2.04 2.02 -0.20 0.11 112.91 118.06 2jpa h THR 88 Ca -0.00 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.32 2jpa h THR 88 Cb 0.72 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 2jpa h THR 88 CO 0.02 0.25 -0.90 0.45 0.37 0.00 0.00 175.52 175.71 2jpa h HIS 89 N 0.01 0.00 -0.01 3.16 3.86 -0.57 -3.34 115.15 118.27 2jpa h HIS 89 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2jpa h HIS 89 Cb 0.44 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.91 2jpa h HIS 89 CO 0.00 0.00 -0.47 2.41 0.86 0.00 0.00 177.93 180.73 2jpa n THR 90 N -2.54 0.00 -0.80 2.45 -1.04 -0.08 -4.95 114.28 107.32 2jpa n THR 90 Ca 0.01 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 2jpa n THR 90 Cb 0.52 0.80 0.00 0.00 -1.82 0.00 0.00 70.33 69.84 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 1.41 0.44 3.58 3.41 0.00 0.33 -4.94 105.19 109.42 2jpa n GLY 91 Ca 0.09 0.00 -0.41 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 -0.61 3.10 -0.58 1.61 2.56 -0.95 -4.94 118.70 118.89 2jpa s GLU 92 Ca 0.00 0.95 0.04 0.00 0.00 0.00 0.00 54.97 55.96 2jpa s GLU 92 Cb 0.00 -4.24 0.15 0.00 2.00 0.00 0.00 34.13 32.04 2jpa s GLU 92 CO 0.00 -2.15 0.35 0.15 -0.56 0.00 0.00 175.26 173.05 2jpa s LYS 93 N 6.06 2.06 0.00 4.30 1.02 -1.26 -4.53 119.74 127.38 2jpa s LYS 93 Ca 0.69 -2.83 0.27 0.00 0.02 0.00 0.00 55.97 54.12 2jpa s LYS 93 Cb -0.16 -3.18 0.84 0.00 -0.52 0.00 0.00 37.83 34.81 2jpa s LYS 93 CO 0.28 -1.20 1.64 -0.35 -0.92 0.00 0.00 175.35 174.80 2jpa n PRO 94 N 2.69 0.11 -2.93 -1.68 -0.04 -1.03 -4.36 135.00 127.76 2jpa n PRO 94 Ca 0.12 -0.05 -0.44 0.00 -0.04 0.00 0.00 63.50 63.10 2jpa n PRO 94 Cb 0.34 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 2jpa n PRO 94 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2jpa n PHE 95 N -1.40 4.81 -2.73 0.54 3.72 -0.23 -4.92 117.46 117.25 2jpa n PHE 95 Ca 0.07 -3.35 -0.36 0.00 -0.05 0.00 0.00 57.45 53.76 2jpa n PHE 95 Cb 0.33 -2.13 -0.06 0.00 -0.94 0.00 0.00 39.48 36.68 2jpa n PHE 95 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2jpa s SER 96 N 2.52 7.10 0.80 4.37 0.15 -1.26 -0.77 113.70 126.60 2jpa s SER 96 Ca 0.42 1.86 -0.11 0.00 0.70 0.00 0.00 55.95 58.82 2jpa s SER 96 Cb -0.02 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.78 2jpa s SER 96 CO -0.00 -0.24 1.09 0.00 1.20 0.00 0.00 173.24 175.29 2jpa n ARG 98 N -3.58 1.38 -2.13 0.00 1.74 -1.26 -4.84 116.66 107.97 2jpa n ARG 98 Ca 0.08 -0.96 -0.36 0.00 -0.77 0.00 0.00 57.85 55.84 2jpa n ARG 98 Cb 0.54 -0.81 0.01 0.00 -1.02 0.00 0.00 32.46 31.18 2jpa n ARG 98 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2jpa s TRP 99 N -0.50 2.61 0.00 -1.55 0.52 -1.26 -4.88 118.94 113.88 2jpa s TRP 99 Ca 0.00 1.51 0.00 0.00 0.02 0.00 0.00 56.10 57.63 2jpa s TRP 99 Cb 0.00 -3.44 0.00 0.00 -1.15 0.00 0.00 33.47 28.88 2jpa s TRP 99 CO 0.00 -1.90 0.98 -0.35 0.02 0.00 0.00 176.95 175.70 2jpa n PRO 100 N -1.08 0.73 0.00 4.98 -0.04 -1.26 -2.08 135.00 136.25 2jpa n PRO 100 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2jpa n PRO 100 Cb 0.49 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 2jpa n PRO 100 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2jpa n SER 101 N 0.97 0.00 -4.98 3.54 3.41 -1.26 -5.16 113.62 110.13 2jpa n SER 101 Ca 0.00 -0.78 -0.18 0.00 -0.26 0.00 0.00 58.87 57.65 2jpa n SER 101 Cb 0.37 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.33 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 -1.85 0.00 -4.01 0.00 0.00 -1.26 -4.92 117.38 105.34 2jpa n GLN 103 Ca 0.08 -0.20 -0.32 0.00 0.00 0.00 0.00 57.00 56.55 2jpa n GLN 103 Cb 0.60 0.14 -0.06 0.00 0.00 0.00 0.00 30.24 30.92 2jpa n GLN 103 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2jpa s LYS 104 N 0.00 3.20 0.08 2.61 3.01 -1.26 -4.98 119.74 122.40 2jpa s LYS 104 Ca 0.00 -0.46 0.06 0.00 -1.01 0.00 0.00 55.97 54.56 2jpa s LYS 104 Cb 0.00 -2.94 -0.03 0.00 -1.01 0.00 0.00 37.83 33.85 2jpa s LYS 104 CO 0.00 0.64 -0.17 0.15 0.51 0.00 0.00 175.35 176.48 2jpa s LYS 105 N -2.00 0.94 0.21 1.68 1.02 -1.26 -0.94 119.74 119.39 2jpa s LYS 105 Ca 0.27 -1.01 0.06 0.00 0.02 0.00 0.00 55.97 55.30 2jpa s LYS 105 Cb -0.12 -1.04 -0.05 0.00 -0.52 0.00 0.00 37.83 36.09 2jpa s LYS 105 CO 0.19 0.24 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.71 2jpa s PHE 106 N -1.19 1.60 -2.32 3.18 0.08 0.05 -4.94 117.98 114.44 2jpa s PHE 106 Ca 0.01 -0.73 0.24 0.00 0.12 0.00 0.00 56.93 56.57 2jpa s PHE 106 Cb -0.10 -0.84 0.26 0.00 -0.57 0.00 0.00 43.02 41.77 2jpa s PHE 106 CO 0.03 0.18 1.27 0.00 -0.10 0.00 0.00 175.22 176.60 2jpa n ALA 107 N -0.38 3.08 -2.72 5.36 0.00 -1.26 -1.06 120.51 123.53 2jpa n ALA 107 Ca -0.07 -0.60 -0.17 0.00 0.00 0.00 0.00 53.44 52.59 2jpa n ALA 107 Cb 0.62 -0.88 -0.14 0.00 0.00 0.00 0.00 19.45 19.04 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 -2.30 0.63 0.14 0.00 0.52 -1.26 -4.84 118.95 111.84 2jpa s ARG 108 Ca 0.24 -0.36 -0.18 0.00 -0.52 0.00 0.00 55.73 54.91 2jpa s ARG 108 Cb 0.19 -0.59 0.01 0.00 0.52 0.00 0.00 34.95 35.08 2jpa s ARG 108 CO 0.46 0.16 1.74 0.66 0.02 0.00 0.00 175.30 178.34 2jpa h SER 109 N 5.72 0.05 -0.13 0.23 4.64 -1.96 -1.65 113.55 120.44 2jpa h SER 109 Ca -0.31 0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.00 2jpa h SER 109 Cb 1.19 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 2jpa h SER 109 CO 0.48 0.06 -0.05 -2.24 -0.87 0.00 0.00 176.83 174.22 2jpa h ASP 110 N 0.18 0.39 -0.55 4.97 2.03 -1.98 0.19 116.42 121.65 2jpa h ASP 110 Ca 0.12 -0.07 -0.00 0.00 -0.73 0.00 0.00 57.03 56.35 2jpa h ASP 110 Cb 0.11 -0.10 -0.03 0.00 -0.83 0.00 0.00 39.33 38.49 2jpa h ASP 110 CO -0.15 0.49 0.34 -0.33 -1.03 0.00 0.00 179.24 178.55 2jpa h GLU 111 N 0.39 0.74 -0.61 4.15 5.08 -1.83 0.83 114.58 123.33 2jpa h GLU 111 Ca 0.08 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 2jpa h GLU 111 Cb 0.34 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2jpa h GLU 111 CO 0.01 0.52 0.04 1.25 -1.00 0.00 0.00 179.01 179.84 2jpa h LEU 112 N 0.74 1.01 -0.54 1.33 5.85 -0.44 -0.17 115.31 123.09 2jpa h LEU 112 Ca 0.20 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.69 2jpa h LEU 112 Cb -0.03 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 2jpa h LEU 112 CO -0.04 1.04 0.31 0.58 -0.34 0.00 0.00 178.44 179.99 2jpa h VAL 113 N 0.96 1.03 -0.29 1.05 2.07 -0.25 0.08 116.25 120.92 2jpa h VAL 113 Ca 0.18 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2jpa h VAL 113 Cb 0.50 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2jpa h VAL 113 CO 0.02 0.11 0.14 -0.09 0.02 0.00 0.00 177.57 177.77 2jpa h ARG 114 N 0.62 0.41 -0.28 1.57 2.43 -0.58 -1.58 114.38 116.97 2jpa h ARG 114 Ca 0.22 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.39 2jpa h ARG 114 Cb 0.05 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 2jpa h ARG 114 CO -0.11 0.39 -0.07 1.25 -1.51 0.00 0.00 179.97 179.92 2jpa h HIS 115 N 0.33 -0.15 -0.92 2.20 2.76 -0.46 0.12 115.15 119.03 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 0.11 0.11 -0.06 0.00 1.55 0.00 0.00 27.41 29.12 2jpa h HIS 115 CO -0.02 -0.12 0.59 0.45 -1.30 0.00 0.00 177.93 177.53 2jpa h HIS 116 N -0.00 1.03 0.00 5.26 3.86 -0.88 0.03 115.15 124.45 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 0.20 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.34 2jpa h HIS 116 CO -0.27 0.51 0.00 -0.97 0.86 0.00 0.00 177.93 178.06 2jpa h ASN 117 N 0.99 0.00 -0.18 2.45 -0.00 0.21 -1.81 115.58 117.24 2jpa h ASN 117 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.71 2jpa h ASN 117 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.61 2jpa h ASN 117 CO -0.17 0.00 0.00 0.23 -0.00 0.00 0.00 177.43 177.49 2jpa n MET 118 N -2.77 1.73 0.00 6.67 2.81 -0.15 -5.08 117.12 120.33 2jpa n MET 118 Ca 0.01 -1.72 0.11 0.00 -1.81 0.00 0.00 57.70 54.29 2jpa n MET 118 Cb 0.25 -1.32 0.66 0.00 -0.71 0.00 0.00 33.22 32.10 2jpa n MET 118 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06