#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpa h SER 2 N 0.00 0.00 -0.10 0.00 4.64 -2.05 -1.12 113.55 114.93 2jpa h SER 2 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jpa h SER 2 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2jpa h SER 2 CO 0.00 0.07 0.00 -1.84 -0.87 0.00 0.00 176.83 174.19 2jpa n GLU 3 N -3.53 1.48 -3.48 4.77 0.00 -1.26 -4.57 120.64 114.04 2jpa n GLU 3 Ca -0.02 -0.72 -0.41 0.00 0.00 0.00 0.00 57.16 56.01 2jpa n GLU 3 Cb 0.20 -1.37 -0.03 0.00 0.00 0.00 0.00 31.44 30.23 2jpa n GLU 3 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2jpa s LYS 4 N -1.88 3.66 0.23 3.44 2.20 -0.43 -1.49 119.74 125.47 2jpa s LYS 4 Ca 0.32 -3.11 -0.14 0.00 -0.36 0.00 0.00 55.97 52.68 2jpa s LYS 4 Cb 0.16 -4.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.24 2jpa s LYS 4 CO 0.26 -1.25 0.48 -0.98 -0.36 0.00 0.00 175.35 173.50 2jpa s ARG 5 N -1.05 1.48 -0.19 4.03 1.04 -0.80 -4.99 118.95 118.47 2jpa s ARG 5 Ca 0.27 -1.12 -0.28 0.00 -1.04 0.00 0.00 55.73 53.55 2jpa s ARG 5 Cb -0.10 0.48 -0.05 0.00 -2.04 0.00 0.00 34.95 33.24 2jpa s ARG 5 CO -0.09 -0.62 2.10 -1.25 -0.04 0.00 0.00 175.30 175.40 2jpa s PRO 6 N -3.97 3.35 0.56 3.89 0.04 -1.26 -4.19 135.00 133.42 2jpa s PRO 6 Ca 0.18 2.04 0.07 0.00 0.04 0.00 0.00 61.00 63.32 2jpa s PRO 6 Cb -0.01 -4.30 0.06 0.00 0.04 0.00 0.00 34.50 30.29 2jpa s PRO 6 CO 0.05 -1.86 0.52 -0.06 0.04 0.00 0.00 177.00 175.69 2jpa s PHE 7 N 7.38 1.52 0.08 0.56 0.08 0.11 -4.95 117.98 122.76 2jpa s PHE 7 Ca 0.95 -0.82 0.02 0.00 0.12 0.00 0.00 56.93 57.20 2jpa s PHE 7 Cb -0.33 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.09 2jpa s PHE 7 CO 0.36 -0.69 -0.07 -1.64 -0.10 0.00 0.00 175.22 173.08 2jpa s MET 8 N -4.40 0.72 0.00 0.44 -1.94 -1.26 -1.01 119.30 111.85 2jpa s MET 8 Ca 0.42 -1.15 -0.18 0.00 -1.71 0.00 0.00 55.69 53.07 2jpa s MET 8 Cb -0.03 -0.21 -0.06 0.00 2.01 0.00 0.00 34.83 36.55 2jpa s MET 8 CO 0.26 -0.00 0.51 0.00 -0.01 0.00 0.00 175.02 175.77 2jpa n ALA 10 N 2.27 2.29 -2.42 0.00 0.00 -1.26 -4.67 120.51 116.72 2jpa n ALA 10 Ca -0.10 -0.05 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 2jpa n ALA 10 Cb 0.51 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 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 -3.07 3.75 0.28 0.00 5.04 -1.26 -4.97 117.35 117.12 2jpa s TYR 11 Ca 0.12 1.75 0.03 0.00 -2.44 0.00 0.00 57.07 56.53 2jpa s TYR 11 Cb 0.15 -3.09 0.41 0.00 0.35 0.00 0.00 41.96 39.78 2jpa s TYR 11 CO 0.57 0.09 1.71 -1.00 -1.34 0.00 0.00 175.55 175.59 2jpa h PRO 12 N 6.01 0.45 -2.70 4.97 0.13 -2.01 -3.29 132.00 135.55 2jpa h PRO 12 Ca -0.42 -0.18 -0.76 0.00 -0.87 0.00 0.00 66.00 63.77 2jpa h PRO 12 Cb 1.21 -0.02 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 2jpa h PRO 12 CO 0.73 0.69 1.99 0.41 -0.23 0.00 0.00 178.00 181.59 2jpa n GLY 13 N -0.33 5.33 3.45 1.56 0.00 -1.26 -4.91 105.19 109.02 2jpa n GLY 13 Ca -0.01 -2.20 -0.15 0.00 0.00 0.00 0.00 46.02 43.66 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 2.15 0.00 -1.34 0.00 7.08 -1.91 -3.47 115.58 118.10 2jpa h ASN 15 Ca -0.28 0.00 -0.33 0.00 -3.08 0.00 0.00 56.30 52.61 2jpa h ASN 15 Cb 1.24 0.00 -0.09 0.00 -2.08 0.00 0.00 38.32 37.39 2jpa h ASN 15 CO 0.39 0.24 -0.34 0.29 -2.08 0.00 0.00 177.43 175.92 2jpa n LYS 16 N -3.46 -1.19 -3.87 4.14 5.02 -1.26 -4.92 118.16 112.62 2jpa n LYS 16 Ca -0.00 0.97 -0.12 0.00 -2.02 0.00 0.00 58.31 57.14 2jpa n LYS 16 Cb 0.41 -5.24 -0.13 0.00 -0.02 0.00 0.00 35.03 30.06 2jpa n LYS 16 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2jpa s ARG 17 N -3.90 0.15 0.22 1.97 0.52 -1.26 -2.09 118.95 114.56 2jpa s ARG 17 Ca 0.00 -0.05 -0.06 0.00 -0.52 0.00 0.00 55.73 55.10 2jpa s ARG 17 Cb 0.00 0.06 -0.02 0.00 0.52 0.00 0.00 34.95 35.51 2jpa s ARG 17 CO 0.00 -0.02 0.28 0.71 0.02 0.00 0.00 175.30 176.29 2jpa s TYR 18 N -0.30 0.84 0.00 -0.53 2.02 -0.18 -4.76 117.35 114.43 2jpa s TYR 18 Ca -0.04 -1.11 0.00 0.00 -0.37 0.00 0.00 57.07 55.55 2jpa s TYR 18 Cb -0.02 -0.24 0.00 0.00 -0.40 0.00 0.00 41.96 41.29 2jpa s TYR 18 CO 0.00 -0.80 0.00 0.34 -1.57 0.00 0.00 175.55 173.52 2jpa n PHE 19 N -0.32 0.00 -4.39 2.71 7.35 -1.26 -0.71 117.46 120.84 2jpa n PHE 19 Ca 0.01 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.48 2jpa n PHE 19 Cb 0.64 0.00 -0.16 0.00 0.35 0.00 0.00 39.48 40.31 2jpa n PHE 19 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2jpa s LYS 20 N -1.19 1.13 0.14 -4.13 2.47 -1.26 -1.90 119.74 115.00 2jpa s LYS 20 Ca 0.00 -0.28 -0.23 0.00 -1.56 0.00 0.00 55.97 53.90 2jpa s LYS 20 Cb 0.00 -1.02 -0.00 0.00 -1.46 0.00 0.00 37.83 35.34 2jpa s LYS 20 CO 0.00 0.04 1.64 1.25 0.16 0.00 0.00 175.35 178.44 2jpa h LEU 21 N 6.76 -0.70 -0.20 5.43 5.85 -1.56 0.38 115.31 131.26 2jpa h LEU 21 Ca -0.34 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 2jpa h LEU 21 Cb 1.17 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 2jpa h LEU 21 CO 0.48 -0.27 -0.07 0.77 -0.34 0.00 0.00 178.44 179.00 2jpa h SER 22 N -0.28 0.41 0.23 1.25 4.64 -1.97 0.13 113.55 117.97 2jpa h SER 22 Ca 0.11 -0.39 -0.05 0.00 -0.47 0.00 0.00 61.79 60.98 2jpa h SER 22 Cb 0.44 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2jpa h SER 22 CO -0.31 0.71 -0.24 1.12 -0.87 0.00 0.00 176.83 177.24 2jpa h HIS 23 N 0.11 0.02 -0.15 4.77 2.07 -1.93 0.22 115.15 120.27 2jpa h HIS 23 Ca 0.05 -0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.36 2jpa h HIS 23 Cb 0.54 -0.01 0.01 0.00 2.57 0.00 0.00 27.41 30.53 2jpa h HIS 23 CO 0.06 0.26 -0.72 1.25 -3.07 0.00 0.00 177.93 175.71 2jpa h LEU 24 N 0.02 0.89 -0.90 6.12 7.12 -0.81 -0.87 115.31 126.87 2jpa h LEU 24 Ca 0.00 -0.63 0.04 0.00 0.13 0.00 0.00 57.88 57.43 2jpa h LEU 24 Cb 0.44 -0.26 -0.06 0.00 -0.53 0.00 0.00 40.66 40.25 2jpa h LEU 24 CO 0.03 1.38 0.58 -0.61 -0.13 0.00 0.00 178.44 179.69 2jpa h GLN 25 N 0.47 1.07 -0.29 1.25 5.75 0.34 0.25 115.11 123.94 2jpa h GLN 25 Ca -0.05 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.33 2jpa h GLN 25 Cb 1.35 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 29.65 2jpa h GLN 25 CO 0.15 0.71 -0.05 1.98 -2.65 0.00 0.00 178.83 178.96 2jpa h MET 26 N 1.10 0.55 -0.99 1.69 4.05 -0.62 -3.10 114.93 117.62 2jpa h MET 26 Ca 0.37 -0.20 0.05 0.00 -0.28 0.00 0.00 59.70 59.64 2jpa h MET 26 Cb 0.05 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 30.75 2jpa h MET 26 CO -0.13 0.74 0.65 1.25 0.23 0.00 0.00 176.91 179.64 2jpa h HIS 27 N 0.32 1.20 -0.54 1.39 -0.00 -0.32 -1.46 115.15 115.75 2jpa h HIS 27 Ca 0.08 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.50 2jpa h HIS 27 Cb 0.52 -0.40 -0.03 0.00 -0.00 0.00 0.00 27.41 27.51 2jpa h HIS 27 CO 0.05 0.65 0.36 0.77 -0.00 0.00 0.00 177.93 179.76 2jpa h SER 28 N 1.20 0.56 -0.92 3.26 0.02 -0.47 -0.67 113.55 116.54 2jpa h SER 28 Ca 0.41 -0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.45 2jpa h SER 28 Cb 0.10 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.44 2jpa h SER 28 CO -0.15 0.39 0.59 -0.09 -1.14 0.00 0.00 176.83 176.43 2jpa h ARG 29 N 0.65 0.89 -0.39 3.45 2.43 -1.24 -1.30 114.38 118.87 2jpa h ARG 29 Ca 0.21 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 2jpa h ARG 29 Cb 0.04 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 2jpa h ARG 29 CO -0.05 0.59 0.26 1.57 -1.51 0.00 0.00 179.97 180.83 2jpa h LYS 30 N 0.92 0.48 0.00 0.20 5.09 -1.19 -2.29 116.57 119.78 2jpa h LYS 30 Ca 0.43 -0.03 -0.02 0.00 0.09 0.00 0.00 60.65 61.12 2jpa h LYS 30 Cb 0.41 -0.11 -0.00 0.00 0.10 0.00 0.00 32.23 32.63 2jpa h LYS 30 CO -0.19 0.32 -0.08 0.45 -2.09 0.00 0.00 179.45 177.85 2jpa h HIS 31 N 0.49 0.00 -1.09 0.07 3.86 -1.32 -3.30 115.15 113.86 2jpa h HIS 31 Ca 0.15 0.00 0.30 0.00 -1.16 0.00 0.00 60.37 59.66 2jpa h HIS 31 Cb -0.01 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.39 2jpa h HIS 31 CO -0.00 0.08 0.75 1.79 0.86 0.00 0.00 177.93 181.41 2jpa h THR 32 N 0.00 0.47 -0.08 2.45 1.35 -1.35 0.32 112.91 116.07 2jpa h THR 32 Ca -0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2jpa h THR 32 Cb 1.04 0.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 2jpa h THR 32 CO 0.01 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 2jpa n GLY 33 N -1.63 0.88 0.93 5.82 0.00 -1.24 -4.11 105.19 105.84 2jpa n GLY 33 Ca 0.25 -0.64 0.10 0.00 0.00 0.00 0.00 46.02 45.73 2jpa n GLY 33 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jpa n GLU 34 N 1.11 2.15 -3.74 1.61 1.02 0.11 -4.61 120.64 118.29 2jpa n GLU 34 Ca 0.16 -1.99 -0.34 0.00 -0.02 0.00 0.00 57.16 54.97 2jpa n GLU 34 Cb 0.54 -1.42 -0.09 0.00 -0.02 0.00 0.00 31.44 30.45 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 -1.44 2.85 0.94 3.49 2.20 -1.09 -5.09 119.74 121.59 2jpa s LYS 35 Ca 0.30 -3.11 -0.13 0.00 -0.36 0.00 0.00 55.97 52.67 2jpa s LYS 35 Cb 0.19 -3.74 0.16 0.00 -1.51 0.00 0.00 37.83 32.92 2jpa s LYS 35 CO 0.26 -1.24 1.15 -1.25 -0.36 0.00 0.00 175.35 173.92 2jpa s PRO 36 N -1.05 0.91 0.31 4.03 0.04 -1.26 -4.67 135.00 133.31 2jpa s PRO 36 Ca 0.24 0.18 0.04 0.00 0.04 0.00 0.00 61.00 61.50 2jpa s PRO 36 Cb -0.10 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 2jpa s PRO 36 CO -0.11 -2.33 0.19 0.71 0.04 0.00 0.00 177.00 175.50 2jpa s TYR 37 N -3.33 1.63 0.12 0.56 1.51 0.13 -4.97 117.35 112.99 2jpa s TYR 37 Ca 0.65 -1.46 0.04 0.00 -1.01 0.00 0.00 57.07 55.29 2jpa s TYR 37 Cb -0.13 -0.81 -0.04 0.00 -0.11 0.00 0.00 41.96 40.87 2jpa s TYR 37 CO 0.53 -0.63 -0.10 1.14 -1.11 0.00 0.00 175.55 175.39 2jpa s GLN 38 N -3.72 0.93 0.47 -0.62 -2.07 -1.26 -0.41 119.66 112.98 2jpa s GLN 38 Ca 0.36 -1.30 -0.23 0.00 -1.82 0.00 0.00 55.36 52.38 2jpa s GLN 38 Cb 0.04 -0.54 -0.07 0.00 -1.09 0.00 0.00 33.01 31.35 2jpa s GLN 38 CO 0.20 0.07 1.18 0.00 -1.32 0.00 0.00 175.29 175.42 2jpa n ASP 40 N -0.57 0.52 -4.60 0.00 2.03 -1.26 -4.40 116.55 108.28 2jpa n ASP 40 Ca 0.08 -0.28 -0.43 0.00 0.52 0.00 0.00 54.79 54.68 2jpa n ASP 40 Cb 0.48 0.27 -0.02 0.00 -0.72 0.00 0.00 41.12 41.12 2jpa n ASP 40 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2jpa s PHE 41 N -2.99 2.19 -0.61 -0.67 5.36 -1.26 -4.87 117.98 115.12 2jpa s PHE 41 Ca 0.11 0.65 0.20 0.00 -0.96 0.00 0.00 56.93 56.93 2jpa s PHE 41 Cb 0.17 -4.25 0.85 0.00 -0.34 0.00 0.00 43.02 39.45 2jpa s PHE 41 CO 0.70 -2.33 1.60 1.63 -1.46 0.00 0.00 175.22 175.36 2jpa n LYS 42 N 8.21 0.13 0.00 10.12 4.76 -1.26 -0.67 118.16 139.45 2jpa n LYS 42 Ca 0.19 0.41 0.14 0.00 -2.87 0.00 0.00 58.31 56.17 2jpa n LYS 42 Cb 0.48 -1.76 0.52 0.00 -1.84 0.00 0.00 35.03 32.42 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 -2.00 1.20 0.01 4.39 8.00 -1.26 -4.55 116.55 122.34 2jpa n ASP 43 Ca 0.02 -1.24 -0.00 0.00 0.71 0.00 0.00 54.79 54.28 2jpa n ASP 43 Cb 0.18 0.03 -0.00 0.00 -0.02 0.00 0.00 41.12 41.30 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 -2.90 -2.94 -1.86 0.00 -0.58 -0.32 -4.96 120.64 107.08 2jpa n GLU 45 Ca -0.00 0.64 -0.33 0.00 -0.42 0.00 0.00 57.16 57.04 2jpa n GLU 45 Cb 0.02 -5.31 0.03 0.00 -0.57 0.00 0.00 31.44 25.61 2jpa n GLU 45 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2jpa s ARG 46 N -5.43 3.03 0.04 3.49 3.00 -1.26 -4.71 118.95 117.11 2jpa s ARG 46 Ca 0.16 1.28 0.06 0.00 0.00 0.00 0.00 55.73 57.23 2jpa s ARG 46 Cb -0.08 -1.99 -0.03 0.00 0.00 0.00 0.00 34.95 32.84 2jpa s ARG 46 CO 0.20 -1.05 -0.12 1.03 0.00 0.00 0.00 175.30 175.36 2jpa s ARG 47 N -4.16 2.26 0.26 3.54 3.00 -1.26 -0.18 118.95 122.41 2jpa s ARG 47 Ca 0.65 -0.89 0.06 0.00 0.00 0.00 0.00 55.73 55.54 2jpa s ARG 47 Cb -0.18 -2.33 -0.05 0.00 0.00 0.00 0.00 34.95 32.39 2jpa s ARG 47 CO 0.40 0.56 -0.05 -0.06 0.00 0.00 0.00 175.30 176.15 2jpa s PHE 48 N -1.01 1.79 -0.10 -0.53 0.08 0.45 -4.97 117.98 113.69 2jpa s PHE 48 Ca 0.17 -0.77 0.15 0.00 0.12 0.00 0.00 56.93 56.60 2jpa s PHE 48 Cb -0.11 -1.02 -0.21 0.00 -0.57 0.00 0.00 43.02 41.11 2jpa s PHE 48 CO 0.08 0.18 0.17 -1.13 -0.10 0.00 0.00 175.22 174.42 2jpa n SER 49 N -0.51 1.29 -4.20 1.36 3.41 -1.26 -0.70 113.62 113.01 2jpa n SER 49 Ca -0.06 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.35 2jpa n SER 49 Cb 0.63 1.22 -0.12 0.00 -0.26 0.00 0.00 64.21 65.68 2jpa n SER 49 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2jpa s ARG 50 N -2.67 0.91 0.25 4.33 0.52 -1.26 -4.19 118.95 116.84 2jpa s ARG 50 Ca -0.07 -1.01 -0.06 0.00 -0.52 0.00 0.00 55.73 54.08 2jpa s ARG 50 Cb 0.07 -1.00 0.27 0.00 0.52 0.00 0.00 34.95 34.81 2jpa s ARG 50 CO 0.64 0.23 1.87 1.03 0.02 0.00 0.00 175.30 179.09 2jpa h SER 51 N 4.25 1.08 0.05 0.23 0.87 -1.87 -1.22 113.55 116.93 2jpa h SER 51 Ca -0.42 -0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 59.94 2jpa h SER 51 Cb 1.19 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 2jpa h SER 51 CO 0.40 0.86 -0.32 -2.24 -0.53 0.00 0.00 176.83 175.00 2jpa h ASP 52 N 1.21 0.40 -0.46 6.23 2.03 -1.98 0.87 116.42 124.73 2jpa h ASP 52 Ca 0.31 -0.15 -0.01 0.00 -0.73 0.00 0.00 57.03 56.45 2jpa h ASP 52 Cb 0.02 -0.11 -0.02 0.00 -0.83 0.00 0.00 39.33 38.39 2jpa h ASP 52 CO -0.05 0.70 0.25 -0.61 -1.03 0.00 0.00 179.24 178.51 2jpa h GLN 53 N 0.34 0.64 -0.21 4.15 4.15 -1.69 0.26 115.11 122.75 2jpa h GLN 53 Ca 0.04 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 2jpa h GLN 53 Cb 0.73 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 2jpa h GLN 53 CO 0.06 0.51 -0.03 1.25 -1.93 0.00 0.00 178.83 178.69 2jpa h LEU 54 N 0.61 0.39 -0.79 -2.39 5.85 -0.99 -0.37 115.31 117.61 2jpa h LEU 54 Ca 0.16 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 2jpa h LEU 54 Cb 0.05 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2jpa h LEU 54 CO -0.03 0.64 0.42 0.11 -0.34 0.00 0.00 178.44 179.25 2jpa h LYS 55 N 0.13 1.11 -0.24 1.25 1.57 -0.66 0.25 116.57 119.98 2jpa h LYS 55 Ca 0.06 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2jpa h LYS 55 Cb 0.45 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2jpa h LYS 55 CO 0.02 0.83 0.15 -0.09 -0.57 0.00 0.00 179.45 179.79 2jpa h ARG 56 N 1.10 0.33 -0.79 3.15 2.43 -0.44 -2.94 114.38 117.22 2jpa h ARG 56 Ca 0.28 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2jpa h ARG 56 Cb 0.05 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 2jpa h ARG 56 CO -0.04 0.25 0.48 1.25 -1.51 0.00 0.00 179.97 180.40 2jpa h HIS 57 N 0.31 1.04 -0.64 2.20 2.76 -0.41 -1.78 115.15 118.62 2jpa h HIS 57 Ca 0.09 0.00 0.19 0.00 -2.20 0.00 0.00 60.37 58.44 2jpa h HIS 57 Cb 0.00 -0.34 -0.03 0.00 1.55 0.00 0.00 27.41 28.59 2jpa h HIS 57 CO -0.05 0.69 0.47 1.96 -1.30 0.00 0.00 177.93 179.70 2jpa h GLN 58 N 1.08 0.00 -0.64 5.26 1.08 -0.35 0.77 115.11 122.31 2jpa h GLN 58 Ca 0.28 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.62 2jpa h GLN 58 Cb -0.05 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.34 2jpa h GLN 58 CO -0.05 0.00 0.44 0.00 -0.95 0.00 0.00 178.83 178.26 2jpa h ARG 59 N 0.00 0.28 -0.90 1.46 3.08 -1.27 0.20 114.38 117.24 2jpa h ARG 59 Ca 0.31 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.44 2jpa h ARG 59 Cb 1.24 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 31.16 2jpa h ARG 59 CO -0.00 0.19 0.58 -0.09 -1.07 0.00 0.00 179.97 179.58 2jpa h ARG 60 N 0.29 0.85 0.01 0.04 2.43 -0.99 0.00 114.38 117.02 2jpa h ARG 60 Ca 0.31 -0.05 -0.38 0.00 -0.81 0.00 0.00 59.98 59.04 2jpa h ARG 60 Cb 0.81 -0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 30.10 2jpa h ARG 60 CO -0.07 0.56 -2.42 0.72 -1.51 0.00 0.00 179.97 177.25 2jpa n HIS 61 N -4.54 0.12 0.15 2.20 8.25 -0.10 -4.38 115.22 116.92 2jpa n HIS 61 Ca 0.16 0.03 0.01 0.00 -0.26 0.00 0.00 57.72 57.65 2jpa n HIS 61 Cb 0.33 -1.02 0.22 0.00 1.12 0.00 0.00 29.99 30.64 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 1.28 0.00 1.59 1.35 -0.73 -3.47 112.91 112.93 2jpa h THR 62 Ca -0.56 -1.93 0.00 0.00 -0.55 0.00 0.00 66.41 63.37 2jpa h THR 62 Cb 1.96 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 70.46 2jpa h THR 62 CO -0.06 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 2jpa n GLY 63 N 0.23 0.79 3.60 5.82 0.00 -0.01 -5.01 105.19 110.61 2jpa n GLY 63 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.08 4.00 -0.74 1.61 -7.23 -1.24 -4.96 120.40 108.75 2jpa s VAL 64 Ca 0.00 1.03 0.01 0.00 -1.81 0.00 0.00 61.98 61.21 2jpa s VAL 64 Cb 0.00 -4.28 0.18 0.00 0.56 0.00 0.00 36.38 32.85 2jpa s VAL 64 CO 0.00 -0.77 0.56 -0.54 -0.31 0.00 0.00 175.10 174.05 2jpa s LYS 65 N 4.73 2.74 0.36 4.82 3.01 -1.26 -4.72 119.74 129.42 2jpa s LYS 65 Ca 0.58 -3.08 0.25 0.00 -1.01 0.00 0.00 55.97 52.71 2jpa s LYS 65 Cb -0.13 -3.68 0.67 0.00 -1.01 0.00 0.00 37.83 33.69 2jpa s LYS 65 CO 0.31 -1.24 1.72 -1.00 0.51 0.00 0.00 175.35 175.65 2jpa h PRO 66 N 6.08 0.00 -5.21 -1.68 0.13 -1.85 -3.38 132.00 126.08 2jpa h PRO 66 Ca 0.09 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.54 2jpa h PRO 66 Cb 0.83 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.80 2jpa h PRO 66 CO 0.76 0.00 1.01 -0.06 -0.23 0.00 0.00 178.00 179.48 2jpa s PHE 67 N -3.23 3.03 -0.19 1.56 0.08 -0.46 -4.93 117.98 113.85 2jpa s PHE 67 Ca 0.07 -1.34 -0.11 0.00 0.12 0.00 0.00 56.93 55.67 2jpa s PHE 67 Cb 0.08 -4.37 -0.05 0.00 -0.57 0.00 0.00 43.02 38.12 2jpa s PHE 67 CO 0.61 -1.57 0.19 -1.14 -0.10 0.00 0.00 175.22 173.21 2jpa s GLN 68 N 3.05 4.21 0.11 0.44 0.74 -1.26 -0.17 119.66 126.78 2jpa s GLN 68 Ca 0.36 -0.11 -0.31 0.00 0.05 0.00 0.00 55.36 55.35 2jpa s GLN 68 Cb -0.04 -3.42 -0.08 0.00 1.10 0.00 0.00 33.01 30.57 2jpa s GLN 68 CO -0.09 0.28 1.48 0.00 -0.55 0.00 0.00 175.29 176.41 2jpa n LYS 70 N 4.41 0.52 -0.01 0.00 4.76 -1.26 -1.42 118.16 125.15 2jpa n LYS 70 Ca 0.13 -0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.56 2jpa n LYS 70 Cb 0.41 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 32.10 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 -1.24 0.25 1.25 -0.18 -1.04 -1.26 -4.59 114.28 107.48 2jpa n THR 71 Ca 0.16 0.45 0.13 0.00 -2.04 0.00 0.00 64.05 62.75 2jpa n THR 71 Cb 0.22 -1.66 0.35 0.00 -1.82 0.00 0.00 70.33 67.43 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 -0.41 -0.95 -2.31 0.00 1.13 -0.51 -4.99 117.38 109.34 2jpa n GLN 73 Ca 0.13 0.44 -0.36 0.00 -1.94 0.00 0.00 57.00 55.26 2jpa n GLN 73 Cb 0.37 -4.26 -0.01 0.00 0.11 0.00 0.00 30.24 26.44 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 -1.58 3.71 -0.15 -1.09 0.52 -1.24 -4.69 118.95 114.44 2jpa s ARG 74 Ca 0.00 1.67 -0.01 0.00 -0.52 0.00 0.00 55.73 56.88 2jpa s ARG 74 Cb 0.00 -2.30 -0.01 0.00 0.52 0.00 0.00 34.95 33.16 2jpa s ARG 74 CO 0.00 -0.57 -0.12 0.15 0.02 0.00 0.00 175.30 174.78 2jpa s LYS 75 N -2.86 3.36 0.28 3.54 1.02 -1.26 0.03 119.74 123.84 2jpa s LYS 75 Ca 0.65 -0.68 0.11 0.00 0.02 0.00 0.00 55.97 56.07 2jpa s LYS 75 Cb -0.26 -2.68 -0.05 0.00 -0.52 0.00 0.00 37.83 34.32 2jpa s LYS 75 CO 0.31 0.13 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.63 2jpa s PHE 76 N 0.57 2.21 -1.86 3.18 0.08 0.77 -4.95 117.98 117.99 2jpa s PHE 76 Ca -0.08 -0.39 0.15 0.00 0.12 0.00 0.00 56.93 56.73 2jpa s PHE 76 Cb -0.16 -1.01 0.14 0.00 -0.57 0.00 0.00 43.02 41.43 2jpa s PHE 76 CO 0.03 0.64 1.01 -1.13 -0.10 0.00 0.00 175.22 175.67 2jpa n SER 77 N -0.60 2.33 -3.77 1.36 3.41 -1.26 -1.35 113.62 113.73 2jpa n SER 77 Ca -0.05 -1.66 -0.16 0.00 -0.26 0.00 0.00 58.87 56.74 2jpa n SER 77 Cb 0.61 -0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.25 0.03 0.39 4.33 0.52 -1.26 -4.89 118.95 116.83 2jpa s ARG 78 Ca 0.19 0.18 0.07 0.00 -0.52 0.00 0.00 55.73 55.65 2jpa s ARG 78 Cb 0.13 -0.32 0.81 0.00 0.52 0.00 0.00 34.95 36.09 2jpa s ARG 78 CO 0.19 -0.17 1.99 0.66 0.02 0.00 0.00 175.30 177.99 2jpa h SER 79 N 7.36 0.39 -0.19 0.23 4.64 -1.97 -1.08 113.55 122.93 2jpa h SER 79 Ca -0.43 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 60.76 2jpa h SER 79 Cb 1.12 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 2jpa h SER 79 CO 0.46 0.38 -0.15 -2.24 -0.87 0.00 0.00 176.83 174.41 2jpa h ASP 80 N 0.44 0.59 0.25 4.97 3.04 -1.98 0.14 116.42 123.86 2jpa h ASP 80 Ca 0.11 -0.17 -0.25 0.00 -3.24 0.00 0.00 57.03 53.48 2jpa h ASP 80 Cb 0.13 -0.16 0.01 0.00 -1.04 0.00 0.00 39.33 38.27 2jpa h ASP 80 CO -0.01 0.76 -1.01 0.45 -2.04 0.00 0.00 179.24 177.39 2jpa h HIS 81 N 0.54 0.75 -0.31 4.15 3.86 -1.84 -0.79 115.15 121.50 2jpa h HIS 81 Ca 0.09 -0.42 -0.03 0.00 -1.16 0.00 0.00 60.37 58.85 2jpa h HIS 81 Cb 0.57 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 2jpa h HIS 81 CO 0.02 1.25 0.06 1.25 0.86 0.00 0.00 177.93 181.38 2jpa h LEU 82 N 0.27 0.49 -1.09 2.43 6.46 -0.98 0.31 115.31 123.19 2jpa h LEU 82 Ca -0.10 -0.25 -0.07 0.00 -0.12 0.00 0.00 57.88 57.34 2jpa h LEU 82 Cb 1.66 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 41.44 2jpa h LEU 82 CO 0.18 0.61 -0.13 0.50 -0.62 0.00 0.00 178.44 178.98 2jpa h LYS 83 N 0.34 0.49 -0.04 1.25 3.64 -0.77 0.46 116.57 121.94 2jpa h LYS 83 Ca 0.10 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2jpa h LYS 83 Cb 0.32 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2jpa h LYS 83 CO 0.00 0.61 0.01 1.15 -2.27 0.00 0.00 179.45 178.95 2jpa h THR 84 N 0.45 1.22 -0.08 1.00 2.02 -0.88 -2.85 112.91 113.78 2jpa h THR 84 Ca 0.08 -0.65 -0.05 0.00 0.77 0.00 0.00 66.41 66.56 2jpa h THR 84 Cb 0.50 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 2jpa h THR 84 CO 0.03 0.18 -0.17 -0.74 0.37 0.00 0.00 175.52 175.18 2jpa h HIS 85 N -0.19 0.14 -0.91 3.16 -0.00 -0.11 -1.32 115.15 115.92 2jpa h HIS 85 Ca 0.01 -0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.46 2jpa h HIS 85 Cb 0.28 -0.04 -0.07 0.00 -0.00 0.00 0.00 27.41 27.57 2jpa h HIS 85 CO 0.02 0.31 0.56 1.15 -0.00 0.00 0.00 177.93 179.96 2jpa h THR 86 N 0.13 0.97 0.00 6.26 2.02 0.10 0.28 112.91 122.66 2jpa h THR 86 Ca 0.02 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 2jpa h THR 86 Cb 0.39 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 2jpa h THR 86 CO 0.03 0.17 -0.08 0.03 0.37 0.00 0.00 175.52 176.03 2jpa h ARG 87 N 0.95 0.00 -0.44 6.66 3.08 -1.01 0.10 114.38 123.72 2jpa h ARG 87 Ca 0.43 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.39 2jpa h ARG 87 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2jpa h ARG 87 CO -0.23 0.08 -0.09 1.15 -1.07 0.00 0.00 179.97 179.81 2jpa h THR 88 N 0.00 1.25 0.00 2.04 2.02 -0.94 0.16 112.91 117.44 2jpa h THR 88 Ca -0.00 -1.14 -0.05 0.00 0.77 0.00 0.00 66.41 65.99 2jpa h THR 88 Cb 0.22 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2jpa h THR 88 CO 0.01 0.39 -0.43 0.45 0.37 0.00 0.00 175.52 176.32 2jpa h HIS 89 N 0.71 0.00 -0.01 3.16 3.86 -1.01 -3.26 115.15 118.60 2jpa h HIS 89 Ca 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2jpa h HIS 89 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 2jpa h HIS 89 CO 0.03 0.24 -0.37 2.41 0.86 0.00 0.00 177.93 181.10 2jpa n THR 90 N -3.08 0.00 -1.40 2.45 -1.04 0.21 -4.94 114.28 106.48 2jpa n THR 90 Ca 0.02 -0.11 -0.14 0.00 -2.04 0.00 0.00 64.05 61.78 2jpa n THR 90 Cb 0.64 0.50 -0.06 0.00 -1.82 0.00 0.00 70.33 69.59 2jpa n THR 90 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jpa n GLY 91 N 1.39 1.32 3.64 3.41 0.00 0.46 -4.93 105.19 110.48 2jpa n GLY 91 Ca 0.10 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2jpa n GLY 91 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jpa s GLU 92 N -3.13 4.06 -0.55 1.61 2.56 -0.60 -4.99 118.70 117.66 2jpa s GLU 92 Ca 0.00 1.01 0.04 0.00 0.00 0.00 0.00 54.97 56.02 2jpa s GLU 92 Cb 0.00 -3.73 0.16 0.00 2.00 0.00 0.00 34.13 32.56 2jpa s GLU 92 CO 0.00 -0.85 0.37 0.15 -0.56 0.00 0.00 175.26 174.37 2jpa s LYS 93 N 3.51 1.76 0.27 4.30 1.02 -1.26 -4.40 119.74 124.94 2jpa s LYS 93 Ca 0.43 -2.64 0.23 0.00 0.02 0.00 0.00 55.97 54.01 2jpa s LYS 93 Cb -0.13 -2.69 0.25 0.00 -0.52 0.00 0.00 37.83 34.74 2jpa s LYS 93 CO 0.14 -1.26 1.35 -1.00 -0.92 0.00 0.00 175.35 173.67 2jpa h PRO 94 N 5.93 0.00 -5.41 -1.68 0.13 -1.81 -3.40 132.00 125.76 2jpa h PRO 94 Ca 0.11 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.55 2jpa h PRO 94 Cb 0.85 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.90 2jpa h PRO 94 CO 0.58 0.00 2.36 1.19 -0.23 0.00 0.00 178.00 181.89 2jpa n PHE 95 N -2.70 4.43 -2.70 1.56 3.72 -0.30 -4.90 117.46 116.59 2jpa n PHE 95 Ca 0.02 -2.89 -0.40 0.00 -0.05 0.00 0.00 57.45 54.14 2jpa n PHE 95 Cb 0.51 -2.60 -0.06 0.00 -0.94 0.00 0.00 39.48 36.40 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 3.92 7.51 0.50 4.37 0.01 -1.26 -0.90 113.70 127.85 2jpa s SER 96 Ca 0.52 2.00 -0.21 0.00 1.31 0.00 0.00 55.95 59.56 2jpa s SER 96 Cb 0.06 -2.61 -0.07 0.00 0.21 0.00 0.00 66.02 63.61 2jpa s SER 96 CO 0.04 0.06 1.13 0.00 0.41 0.00 0.00 173.24 174.88 2jpa n ARG 98 N -0.88 0.10 -2.45 0.00 3.00 -1.26 -4.39 116.66 110.77 2jpa n ARG 98 Ca 0.09 0.03 -0.42 0.00 -0.01 0.00 0.00 57.85 57.55 2jpa n ARG 98 Cb 0.50 -1.56 -0.03 0.00 0.00 0.00 0.00 32.46 31.36 2jpa n ARG 98 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2jpa s TRP 99 N -3.06 3.49 0.03 -1.55 0.52 -1.26 -4.97 118.94 112.15 2jpa s TRP 99 Ca 0.10 1.43 -0.22 0.00 0.02 0.00 0.00 56.10 57.42 2jpa s TRP 99 Cb 0.16 -3.37 -0.15 0.00 -1.15 0.00 0.00 33.47 28.96 2jpa s TRP 99 CO 0.69 -1.02 1.40 -1.00 0.02 0.00 0.00 176.95 177.03 2jpa h PRO 100 N 5.98 0.22 -2.58 4.98 0.13 -2.03 -2.84 132.00 135.84 2jpa h PRO 100 Ca -0.43 -0.09 -0.32 0.00 -0.87 0.00 0.00 66.00 64.29 2jpa h PRO 100 Cb 1.21 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2jpa h PRO 100 CO 0.77 0.55 1.24 -1.13 -0.23 0.00 0.00 178.00 179.20 2jpa n SER 101 N -4.73 5.53 0.00 1.44 3.41 -1.26 -4.16 113.62 113.85 2jpa n SER 101 Ca -0.06 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.17 2jpa n SER 101 Cb 0.26 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 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 -0.48 -2.34 -1.84 0.00 1.13 -1.08 -4.98 117.38 107.79 2jpa n GLN 103 Ca 0.00 0.71 -0.33 0.00 -1.94 0.00 0.00 57.00 55.44 2jpa n GLN 103 Cb 0.00 -5.35 0.04 0.00 0.11 0.00 0.00 30.24 25.04 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 -5.14 2.95 -0.08 -1.09 3.01 -1.26 -4.63 119.74 113.49 2jpa s LYS 104 Ca 0.05 1.34 0.02 0.00 -1.01 0.00 0.00 55.97 56.37 2jpa s LYS 104 Cb -0.02 -1.97 0.02 0.00 -1.01 0.00 0.00 37.83 34.84 2jpa s LYS 104 CO 0.06 -1.12 -0.12 0.15 0.51 0.00 0.00 175.35 174.83 2jpa s LYS 105 N -4.08 1.73 0.31 1.68 1.02 -1.26 -0.21 119.74 118.93 2jpa s LYS 105 Ca 0.66 -0.40 0.09 0.00 0.02 0.00 0.00 55.97 56.34 2jpa s LYS 105 Cb -0.19 -1.50 -0.05 0.00 -0.52 0.00 0.00 37.83 35.57 2jpa s LYS 105 CO 0.40 -0.04 0.03 -0.06 -0.92 0.00 0.00 175.35 174.76 2jpa s PHE 106 N 0.89 2.64 -2.95 3.18 0.08 -0.08 -4.91 117.98 116.85 2jpa s PHE 106 Ca -0.10 -0.32 0.24 0.00 0.12 0.00 0.00 56.93 56.87 2jpa s PHE 106 Cb -0.15 -1.38 0.24 0.00 -0.57 0.00 0.00 43.02 41.16 2jpa s PHE 106 CO 0.01 0.51 1.29 0.00 -0.10 0.00 0.00 175.22 176.93 2jpa n ALA 107 N -0.97 2.46 -2.97 5.36 0.00 -1.26 -1.14 120.51 121.98 2jpa n ALA 107 Ca -0.05 -0.70 -0.15 0.00 0.00 0.00 0.00 53.44 52.54 2jpa n ALA 107 Cb 0.60 -0.83 -0.15 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.97 0.33 0.17 0.00 0.52 -1.26 -4.87 118.95 111.87 2jpa s ARG 108 Ca 0.29 -0.10 -0.15 0.00 -0.52 0.00 0.00 55.73 55.25 2jpa s ARG 108 Cb 0.20 -0.35 0.09 0.00 0.52 0.00 0.00 34.95 35.41 2jpa s ARG 108 CO 0.30 0.04 1.77 0.66 0.02 0.00 0.00 175.30 178.09 2jpa h SER 109 N 6.29 0.24 -0.22 0.23 4.64 -1.96 -1.83 113.55 120.95 2jpa h SER 109 Ca -0.30 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.02 2jpa h SER 109 Cb 1.18 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 2jpa h SER 109 CO 0.50 0.18 0.04 -2.24 -0.87 0.00 0.00 176.83 174.44 2jpa h ASP 110 N 0.38 0.42 -0.55 4.97 3.04 -1.98 0.16 116.42 122.86 2jpa h ASP 110 Ca 0.19 -0.06 -0.00 0.00 -3.24 0.00 0.00 57.03 53.92 2jpa h ASP 110 Cb 0.13 -0.11 -0.03 0.00 -1.04 0.00 0.00 39.33 38.29 2jpa h ASP 110 CO -0.16 0.45 0.34 -0.33 -2.04 0.00 0.00 179.24 177.50 2jpa h GLU 111 N 0.44 0.74 -0.37 4.15 5.08 -1.78 0.18 114.58 123.02 2jpa h GLU 111 Ca 0.10 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 2jpa h GLU 111 Cb 0.23 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2jpa h GLU 111 CO 0.00 0.52 -0.28 1.25 -1.00 0.00 0.00 179.01 179.50 2jpa h LEU 112 N 0.73 0.81 -0.33 1.33 5.85 -0.56 0.89 115.31 124.04 2jpa h LEU 112 Ca 0.20 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.62 2jpa h LEU 112 Cb -0.03 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 2jpa h LEU 112 CO -0.04 1.04 0.15 0.58 -0.34 0.00 0.00 178.44 179.84 2jpa h VAL 113 N 0.67 0.97 -0.33 1.05 2.07 -0.33 0.44 116.25 120.80 2jpa h VAL 113 Ca 0.08 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 2jpa h VAL 113 Cb 0.81 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 2jpa h VAL 113 CO 0.07 0.06 0.19 -0.09 0.02 0.00 0.00 177.57 177.82 2jpa h ARG 114 N 0.32 0.45 -0.29 1.57 2.43 -0.47 -1.68 114.38 116.71 2jpa h ARG 114 Ca 0.14 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.32 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 -0.10 0.37 -0.06 1.25 -1.51 0.00 0.00 179.97 179.92 2jpa h HIS 115 N 0.42 -0.12 -0.81 2.20 2.76 -0.33 0.71 115.15 119.98 2jpa h HIS 115 Ca 0.12 0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.38 2jpa h HIS 115 Cb 0.04 0.10 -0.05 0.00 1.55 0.00 0.00 27.41 29.04 2jpa h HIS 115 CO -0.03 -0.11 0.53 0.45 -1.30 0.00 0.00 177.93 177.47 2jpa h HIS 116 N 0.02 0.88 0.00 5.26 3.86 -0.76 -0.31 115.15 124.10 2jpa h HIS 116 Ca 0.14 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2jpa h HIS 116 Cb 0.21 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.39 2jpa h HIS 116 CO -0.27 0.45 0.00 -0.97 0.86 0.00 0.00 177.93 178.01 2jpa h ASN 117 N 0.86 0.00 -0.17 2.45 -0.00 0.08 -1.79 115.58 117.02 2jpa h ASN 117 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.65 2jpa h ASN 117 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.59 2jpa h ASN 117 CO -0.13 0.00 0.00 0.23 -0.00 0.00 0.00 177.43 177.53 2jpa n MET 118 N -2.40 2.24 0.00 6.67 2.81 -0.24 -5.09 117.12 121.12 2jpa n MET 118 Ca 0.01 -1.63 0.09 0.00 -1.81 0.00 0.00 57.70 54.36 2jpa n MET 118 Cb 0.21 -1.16 0.55 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