#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpa s SER 2 N 0.00 -0.54 0.00 0.00 0.15 -1.26 -5.03 113.70 107.02 2jpa s SER 2 Ca 0.00 0.98 0.27 0.00 0.70 0.00 0.00 55.95 57.90 2jpa s SER 2 Cb 0.00 0.91 0.89 0.00 -1.71 0.00 0.00 66.02 66.11 2jpa s SER 2 CO 0.00 -0.20 1.65 -0.62 1.20 0.00 0.00 173.24 175.27 2jpa n GLU 3 N 4.39 1.39 -1.73 5.44 4.71 -1.26 -4.93 120.64 128.65 2jpa n GLU 3 Ca -0.21 -0.84 -0.19 0.00 -0.01 0.00 0.00 57.16 55.91 2jpa n GLU 3 Cb 0.55 -1.48 -0.07 0.00 -1.01 0.00 0.00 31.44 29.43 2jpa n GLU 3 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2jpa n LYS 4 N -0.07 -1.50 -1.70 3.49 4.01 -1.26 -4.97 118.16 116.16 2jpa n LYS 4 Ca 0.16 1.07 -0.33 0.00 -0.51 0.00 0.00 58.31 58.70 2jpa n LYS 4 Cb 0.36 -5.48 0.05 0.00 -0.51 0.00 0.00 35.03 29.46 2jpa n LYS 4 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 2jpa s ARG 5 N -3.90 2.69 0.09 1.97 3.03 -1.26 -4.98 118.95 116.59 2jpa s ARG 5 Ca 0.00 1.44 -0.25 0.00 2.03 0.00 0.00 55.73 58.95 2jpa s ARG 5 Cb 0.00 -1.93 -0.15 0.00 -1.03 0.00 0.00 34.95 31.84 2jpa s ARG 5 CO 0.00 -1.35 1.71 -1.35 -1.13 0.00 0.00 175.30 173.18 2jpa h PRO 6 N -0.04 -0.21 -4.44 3.89 0.11 -1.93 -3.45 132.00 125.92 2jpa h PRO 6 Ca -0.47 0.01 -0.24 0.00 0.11 0.00 0.00 66.00 65.42 2jpa h PRO 6 Cb 1.25 0.05 -0.20 0.00 0.11 0.00 0.00 31.00 32.21 2jpa h PRO 6 CO 0.53 -0.14 -0.72 -0.06 -0.21 0.00 0.00 178.00 177.40 2jpa s PHE 7 N -6.16 0.61 0.07 0.65 0.08 -0.50 -5.02 117.98 107.71 2jpa s PHE 7 Ca -0.14 -0.58 0.02 0.00 0.12 0.00 0.00 56.93 56.35 2jpa s PHE 7 Cb 0.06 -0.37 -0.03 0.00 -0.57 0.00 0.00 43.02 42.10 2jpa s PHE 7 CO 0.65 -0.13 -0.06 0.00 -0.10 0.00 0.00 175.22 175.58 2jpa s MET 8 N -1.91 0.67 0.12 0.44 0.23 -1.26 0.05 119.30 117.63 2jpa s MET 8 Ca -0.08 -1.07 -0.31 0.00 -1.03 0.00 0.00 55.69 53.20 2jpa s MET 8 Cb -0.07 -0.18 -0.10 0.00 -1.53 0.00 0.00 34.83 32.95 2jpa s MET 8 CO -0.01 -0.00 1.76 0.00 -2.03 0.00 0.00 175.02 174.73 2jpa n ALA 10 N 5.38 2.43 -1.90 0.00 0.00 -1.26 -4.28 120.51 120.89 2jpa n ALA 10 Ca 0.17 -0.81 -0.41 0.00 0.00 0.00 0.00 53.44 52.38 2jpa n ALA 10 Cb 0.38 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.41 3.11 -0.88 0.00 5.04 -1.26 -4.89 117.35 117.05 2jpa s TYR 11 Ca 0.32 1.17 -0.25 0.00 -2.44 0.00 0.00 57.07 55.87 2jpa s TYR 11 Cb 0.17 -3.72 -0.10 0.00 0.35 0.00 0.00 41.96 38.66 2jpa s TYR 11 CO 0.23 -2.24 2.17 -1.25 -1.34 0.00 0.00 175.55 173.12 2jpa s PRO 12 N -0.55 2.02 0.00 4.97 0.04 -1.26 -1.45 135.00 138.76 2jpa s PRO 12 Ca 0.56 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.61 2jpa s PRO 12 Cb -0.40 -4.94 0.00 0.00 0.04 0.00 0.00 34.50 29.20 2jpa s PRO 12 CO 0.43 -4.05 0.00 0.41 0.04 0.00 0.00 177.00 173.83 2jpa n GLY 13 N 6.74 1.83 3.88 0.56 0.00 -1.26 -5.14 105.19 111.80 2jpa n GLY 13 Ca 0.44 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.91 0.00 -4.78 0.00 0.23 -1.26 -4.86 115.26 100.67 2jpa n ASN 15 Ca 0.15 -0.43 -0.36 0.00 -0.53 0.00 0.00 54.58 53.40 2jpa n ASN 15 Cb 0.59 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.24 2jpa n ASN 15 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2jpa s LYS 16 N 0.00 4.30 0.12 -3.83 3.01 -1.26 -4.74 119.74 117.35 2jpa s LYS 16 Ca 0.00 1.43 -0.00 0.00 -1.01 0.00 0.00 55.97 56.38 2jpa s LYS 16 Cb 0.00 -2.60 -0.04 0.00 -1.01 0.00 0.00 37.83 34.18 2jpa s LYS 16 CO 0.00 0.00 0.29 -0.98 0.51 0.00 0.00 175.35 175.17 2jpa s ARG 17 N -2.41 3.48 0.11 1.68 3.03 -1.26 -0.18 118.95 123.40 2jpa s ARG 17 Ca 0.56 -0.41 -0.06 0.00 2.03 0.00 0.00 55.73 57.85 2jpa s ARG 17 Cb -0.20 -2.96 -0.02 0.00 -1.03 0.00 0.00 34.95 30.75 2jpa s ARG 17 CO 0.25 0.53 0.16 0.71 -1.13 0.00 0.00 175.30 175.82 2jpa s TYR 18 N -1.65 0.40 0.00 5.89 2.02 0.11 -4.94 117.35 119.17 2jpa s TYR 18 Ca 0.36 -0.82 0.00 0.00 -0.37 0.00 0.00 57.07 56.24 2jpa s TYR 18 Cb -0.12 -0.18 0.00 0.00 -0.40 0.00 0.00 41.96 41.26 2jpa s TYR 18 CO 0.28 -0.56 0.00 1.19 -1.57 0.00 0.00 175.55 174.89 2jpa n PHE 19 N -0.08 0.00 -3.98 2.71 3.01 -1.26 -1.40 117.46 116.46 2jpa n PHE 19 Ca -0.11 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.01 2jpa n PHE 19 Cb 0.63 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.95 2jpa n PHE 19 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2jpa s LYS 20 N -1.90 2.84 0.29 -1.08 3.01 -1.26 -4.83 119.74 116.81 2jpa s LYS 20 Ca 0.00 -0.97 0.03 0.00 -1.01 0.00 0.00 55.97 54.03 2jpa s LYS 20 Cb 0.00 -2.94 0.75 0.00 -1.01 0.00 0.00 37.83 34.63 2jpa s LYS 20 CO 0.00 -0.38 1.65 1.25 0.51 0.00 0.00 175.35 178.38 2jpa h LEU 21 N 8.00 0.09 -0.21 3.17 5.85 -1.98 0.29 115.31 130.53 2jpa h LEU 21 Ca -0.34 0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 2jpa h LEU 21 Cb 1.11 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 2jpa h LEU 21 CO 0.58 -0.13 -0.08 0.77 -0.34 0.00 0.00 178.44 179.23 2jpa h SER 22 N 0.24 0.43 0.28 1.25 4.64 -1.98 0.16 113.55 118.57 2jpa h SER 22 Ca 0.57 -0.40 -0.05 0.00 -0.47 0.00 0.00 61.79 61.44 2jpa h SER 22 Cb 1.16 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 2jpa h SER 22 CO -0.63 0.73 -0.25 1.12 -0.87 0.00 0.00 176.83 176.93 2jpa h HIS 23 N 0.12 0.00 -0.14 4.77 2.07 -1.44 0.27 115.15 120.81 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 0.56 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.55 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 0.00 0.80 -1.15 6.12 7.12 -0.40 -1.73 115.31 126.08 2jpa h LEU 24 Ca -0.00 -0.52 0.02 0.00 0.13 0.00 0.00 57.88 57.51 2jpa h LEU 24 Cb 0.45 -0.24 -0.05 0.00 -0.53 0.00 0.00 40.66 40.30 2jpa h LEU 24 CO 0.03 1.30 0.58 -0.61 -0.13 0.00 0.00 178.44 179.61 2jpa h GLN 25 N 0.47 1.10 -0.07 1.25 4.15 0.60 0.24 115.11 122.85 2jpa h GLN 25 Ca -0.04 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.31 2jpa h GLN 25 Cb 1.35 -0.25 -0.00 0.00 0.21 0.00 0.00 27.48 28.79 2jpa h GLN 25 CO 0.15 0.73 0.04 0.52 -1.93 0.00 0.00 178.83 178.34 2jpa h MET 26 N 1.13 0.09 -1.01 1.69 2.86 -0.39 -1.87 114.93 117.44 2jpa h MET 26 Ca 0.34 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 58.02 2jpa h MET 26 Cb -0.04 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.53 2jpa h MET 26 CO -0.09 0.08 0.66 1.25 1.06 0.00 0.00 176.91 179.87 2jpa h HIS 27 N 0.07 1.22 -0.56 -0.22 -0.00 -0.51 -0.85 115.15 114.31 2jpa h HIS 27 Ca 0.02 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.44 2jpa h HIS 27 Cb 0.01 -0.40 -0.03 0.00 -0.00 0.00 0.00 27.41 26.99 2jpa h HIS 27 CO -0.07 0.67 0.37 0.77 -0.00 0.00 0.00 177.93 179.67 2jpa h SER 28 N 1.23 0.60 -0.92 3.26 0.02 -0.14 -0.37 113.55 117.22 2jpa h SER 28 Ca 0.42 -0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.45 2jpa h SER 28 Cb 0.09 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.42 2jpa h SER 28 CO -0.15 0.43 0.59 -0.09 -1.14 0.00 0.00 176.83 176.47 2jpa h ARG 29 N 0.71 0.92 -0.87 3.45 1.12 -0.34 0.45 114.38 119.82 2jpa h ARG 29 Ca 0.22 -0.06 0.06 0.00 -1.11 0.00 0.00 59.98 59.09 2jpa h ARG 29 Cb -0.00 -0.21 -0.06 0.00 -0.01 0.00 0.00 29.97 29.69 2jpa h ARG 29 CO -0.05 0.61 0.54 -0.22 -3.11 0.00 0.00 179.97 177.73 2jpa h LYS 30 N 0.94 0.95 0.00 0.20 3.64 -1.05 -2.33 116.57 118.93 2jpa h LYS 30 Ca 0.43 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2jpa h LYS 30 Cb 0.38 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2jpa h LYS 30 CO -0.19 0.63 -0.02 0.45 -2.27 0.00 0.00 179.45 178.05 2jpa h HIS 31 N 0.98 0.00 -0.41 1.91 3.86 -0.89 -1.03 115.15 119.56 2jpa h HIS 31 Ca 0.38 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.71 2jpa h HIS 31 Cb 0.18 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 2jpa h HIS 31 CO -0.03 0.02 0.48 1.79 0.86 0.00 0.00 177.93 181.05 2jpa h THR 32 N 0.00 0.32 -0.21 2.45 1.35 -1.39 0.83 112.91 116.26 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 0.23 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 67.25 2jpa h THR 32 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2jpa n GLY 33 N -1.48 1.17 0.14 5.82 0.00 -0.39 -4.27 105.19 106.18 2jpa n GLY 33 Ca 0.07 -0.50 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 2jpa n GLY 33 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jpa h GLU 34 N 3.09 0.45 -1.77 1.61 4.22 -0.90 -3.42 114.58 117.86 2jpa h GLU 34 Ca 0.00 -0.57 -0.37 0.00 0.08 0.00 0.00 59.36 58.51 2jpa h GLU 34 Cb 0.74 0.18 -0.29 0.00 0.50 0.00 0.00 28.75 29.89 2jpa h GLU 34 CO 0.00 1.21 -0.72 0.21 -2.18 0.00 0.00 179.01 177.54 2jpa s LYS 35 N -2.97 0.86 0.64 1.92 2.20 -1.24 -5.14 119.74 116.00 2jpa s LYS 35 Ca -0.12 -1.30 -0.16 0.00 -0.36 0.00 0.00 55.97 54.03 2jpa s LYS 35 Cb 0.03 -0.72 -0.01 0.00 -1.51 0.00 0.00 37.83 35.62 2jpa s LYS 35 CO 0.86 -1.30 1.14 -1.25 -0.36 0.00 0.00 175.35 174.43 2jpa s PRO 36 N 0.85 2.83 1.04 4.03 0.04 -1.26 -5.01 135.00 137.51 2jpa s PRO 36 Ca 0.26 1.52 -0.16 0.00 0.04 0.00 0.00 61.00 62.66 2jpa s PRO 36 Cb -0.04 -1.94 0.21 0.00 0.04 0.00 0.00 34.50 32.77 2jpa s PRO 36 CO -0.09 -1.25 1.18 0.71 0.04 0.00 0.00 177.00 177.59 2jpa s TYR 37 N -2.11 1.47 0.12 0.56 1.51 0.49 -4.80 117.35 114.59 2jpa s TYR 37 Ca 0.70 0.56 0.04 0.00 -1.01 0.00 0.00 57.07 57.36 2jpa s TYR 37 Cb -0.23 -3.63 -0.04 0.00 -0.11 0.00 0.00 41.96 37.94 2jpa s TYR 37 CO 0.38 -3.03 -0.10 1.14 -1.11 0.00 0.00 175.55 172.83 2jpa s GLN 38 N -5.51 0.95 0.14 -0.62 -2.07 -1.26 -1.20 119.66 110.10 2jpa s GLN 38 Ca 0.70 -1.31 -0.34 0.00 -1.82 0.00 0.00 55.36 52.58 2jpa s GLN 38 Cb -0.10 -0.57 -0.15 0.00 -1.09 0.00 0.00 33.01 31.10 2jpa s GLN 38 CO 0.54 0.07 1.35 0.00 -1.32 0.00 0.00 175.29 175.94 2jpa n ASP 40 N 2.52 0.00 0.27 0.00 5.75 -1.26 -3.41 116.55 120.42 2jpa n ASP 40 Ca 0.16 -0.30 0.15 0.00 -0.01 0.00 0.00 54.79 54.79 2jpa n ASP 40 Cb 0.24 -0.23 0.71 0.00 -1.03 0.00 0.00 41.12 40.81 2jpa n ASP 40 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2jpa h PHE 41 N 0.00 0.00 0.00 2.11 3.57 -1.89 -3.46 116.94 117.26 2jpa h PHE 41 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2jpa h PHE 41 Cb 0.23 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.97 2jpa h PHE 41 CO 0.00 0.09 0.00 1.17 -2.23 0.00 0.00 178.31 177.34 2jpa n LYS 42 N -3.31 0.00 0.25 1.11 3.00 -1.22 -4.30 118.16 113.69 2jpa n LYS 42 Ca -0.01 0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.47 2jpa n LYS 42 Cb 0.29 -0.13 0.77 0.00 0.00 0.00 0.00 35.03 35.96 2jpa n LYS 42 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2jpa h ASP 43 N 0.00 0.00 -3.34 3.14 3.58 -1.91 -3.41 116.42 114.48 2jpa h ASP 43 Ca 0.00 0.00 -0.65 0.00 0.42 0.00 0.00 57.03 56.80 2jpa h ASP 43 Cb 0.00 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 40.93 2jpa h ASP 43 CO 0.00 0.00 -0.66 0.00 -2.88 0.00 0.00 179.24 175.70 2jpa n GLU 45 N 0.55 0.49 -2.11 0.00 4.07 -1.26 -4.52 120.64 117.85 2jpa n GLU 45 Ca -0.11 -1.67 -0.40 0.00 -0.06 0.00 0.00 57.16 54.92 2jpa n GLU 45 Cb 0.52 -0.86 -0.02 0.00 -0.06 0.00 0.00 31.44 31.03 2jpa n GLU 45 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2jpa s ARG 46 N -1.10 4.27 0.04 5.31 0.52 -1.26 -4.63 118.95 122.10 2jpa s ARG 46 Ca 0.14 2.18 0.03 0.00 -0.52 0.00 0.00 55.73 57.56 2jpa s ARG 46 Cb 0.13 -2.99 -0.04 0.00 0.52 0.00 0.00 34.95 32.57 2jpa s ARG 46 CO -0.00 -0.25 0.02 1.03 0.02 0.00 0.00 175.30 176.12 2jpa s ARG 47 N -1.90 2.74 -0.01 3.54 1.81 -1.26 0.19 118.95 124.06 2jpa s ARG 47 Ca 0.51 -0.69 0.02 0.00 -1.72 0.00 0.00 55.73 53.85 2jpa s ARG 47 Cb -0.39 -2.65 -0.00 0.00 -0.45 0.00 0.00 34.95 31.46 2jpa s ARG 47 CO 0.51 0.59 -0.07 -0.06 -0.68 0.00 0.00 175.30 175.60 2jpa s PHE 48 N -1.21 0.63 -1.53 -0.53 0.08 -0.34 -4.96 117.98 110.12 2jpa s PHE 48 Ca 0.23 -0.12 0.28 0.00 0.12 0.00 0.00 56.93 57.44 2jpa s PHE 48 Cb -0.12 -0.42 1.08 0.00 -0.57 0.00 0.00 43.02 42.99 2jpa s PHE 48 CO 0.15 -0.02 1.78 -1.13 -0.10 0.00 0.00 175.22 175.89 2jpa n SER 49 N 2.99 0.51 -3.93 1.36 3.41 -1.26 -0.38 113.62 116.32 2jpa n SER 49 Ca -0.14 -0.48 -0.13 0.00 -0.26 0.00 0.00 58.87 57.86 2jpa n SER 49 Cb 0.57 -0.05 -0.14 0.00 -0.26 0.00 0.00 64.21 64.33 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 -2.59 0.23 0.32 4.33 0.52 -1.26 -4.60 118.95 115.90 2jpa s ARG 50 Ca 0.25 -0.16 0.01 0.00 -0.52 0.00 0.00 55.73 55.30 2jpa s ARG 50 Cb 0.20 -0.18 0.56 0.00 0.52 0.00 0.00 34.95 36.05 2jpa s ARG 50 CO 0.51 0.05 1.95 1.03 0.02 0.00 0.00 175.30 178.86 2jpa h SER 51 N 5.89 0.85 0.08 0.23 0.87 -2.00 -1.09 113.55 118.39 2jpa h SER 51 Ca -0.27 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.18 2jpa h SER 51 Cb 1.20 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 2jpa h SER 51 CO 0.49 0.58 -0.36 -2.24 -0.53 0.00 0.00 176.83 174.78 2jpa h ASP 52 N 0.98 0.40 0.05 6.23 3.04 -1.98 0.76 116.42 125.91 2jpa h ASP 52 Ca 0.33 -0.16 -0.14 0.00 -3.24 0.00 0.00 57.03 53.82 2jpa h ASP 52 Cb 0.07 -0.11 -0.01 0.00 -1.04 0.00 0.00 39.33 38.24 2jpa h ASP 52 CO -0.10 0.73 -0.46 1.56 -2.04 0.00 0.00 179.24 178.93 2jpa h GLN 53 N 0.33 0.49 -0.32 4.15 1.08 -1.66 0.36 115.11 119.54 2jpa h GLN 53 Ca 0.04 -0.27 -0.08 0.00 -1.45 0.00 0.00 58.65 56.89 2jpa h GLN 53 Cb 0.79 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.22 2jpa h GLN 53 CO 0.06 0.85 -0.12 1.25 -0.95 0.00 0.00 178.83 179.93 2jpa h LEU 54 N 0.39 0.66 -0.90 1.46 5.85 -1.01 0.12 115.31 121.88 2jpa h LEU 54 Ca 0.02 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 2jpa h LEU 54 Cb 0.96 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 2jpa h LEU 54 CO 0.09 0.90 0.44 0.50 -0.34 0.00 0.00 178.44 180.02 2jpa h LYS 55 N 0.42 1.22 -0.23 1.25 1.63 -0.61 0.19 116.57 120.45 2jpa h LYS 55 Ca 0.08 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 2jpa h LYS 55 Cb 0.63 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 2jpa h LYS 55 CO 0.04 0.92 0.12 -0.09 -3.45 0.00 0.00 179.45 176.98 2jpa h ARG 56 N 1.22 0.32 -0.92 1.90 2.43 -0.20 -2.99 114.38 116.14 2jpa h ARG 56 Ca 0.30 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2jpa h ARG 56 Cb 0.08 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 2jpa h ARG 56 CO -0.04 0.31 0.56 1.25 -1.51 0.00 0.00 179.97 180.54 2jpa h HIS 57 N 0.24 1.21 -0.96 2.20 2.76 -0.13 -1.55 115.15 118.93 2jpa h HIS 57 Ca 0.08 0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.41 2jpa h HIS 57 Cb 0.09 -0.40 -0.08 0.00 1.55 0.00 0.00 27.41 28.57 2jpa h HIS 57 CO -0.03 0.80 0.61 0.37 -1.30 0.00 0.00 177.93 178.37 2jpa h GLN 58 N 1.27 0.73 -0.65 5.26 4.15 -0.49 -0.58 115.11 124.80 2jpa h GLN 58 Ca 0.33 -0.04 0.12 0.00 0.77 0.00 0.00 58.65 59.83 2jpa h GLN 58 Cb -0.06 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 27.42 2jpa h GLN 58 CO -0.06 0.49 0.44 -0.09 -1.93 0.00 0.00 178.83 177.67 2jpa h ARG 59 N 0.76 0.35 -0.56 1.69 9.65 -1.21 0.65 114.38 125.70 2jpa h ARG 59 Ca 0.50 -0.02 0.07 0.00 -1.10 0.00 0.00 59.98 59.43 2jpa h ARG 59 Cb 0.77 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 29.22 2jpa h ARG 59 CO -0.27 0.23 0.25 -0.09 2.80 0.00 0.00 179.97 182.90 2jpa h ARG 60 N 0.36 0.46 0.00 0.20 2.43 -1.20 -0.03 114.38 116.60 2jpa h ARG 60 Ca 0.31 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.37 2jpa h ARG 60 Cb 0.71 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2jpa h ARG 60 CO -0.08 0.31 -0.38 0.45 -1.51 0.00 0.00 179.97 178.76 2jpa h HIS 61 N 0.48 0.00 0.00 2.20 3.86 -1.00 -2.95 115.15 117.74 2jpa h HIS 61 Ca 0.26 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.32 2jpa h HIS 61 Cb 0.24 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 2jpa h HIS 61 CO -0.13 0.38 -0.72 1.79 0.86 0.00 0.00 177.93 180.11 2jpa h THR 62 N 0.00 1.48 0.00 2.45 1.35 -0.71 -3.47 112.91 114.01 2jpa h THR 62 Ca -0.00 -2.49 0.00 0.00 -0.55 0.00 0.00 66.41 63.36 2jpa h THR 62 Cb 1.18 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.96 2jpa h THR 62 CO 0.05 0.70 0.00 0.61 -0.25 0.00 0.00 175.52 176.63 2jpa n GLY 63 N 0.61 2.14 3.75 5.82 0.00 -0.08 -4.99 105.19 112.45 2jpa n GLY 63 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.82 3.35 -0.53 1.61 1.01 -1.25 -5.01 120.40 116.75 2jpa s VAL 64 Ca 0.00 1.23 0.04 0.00 0.00 0.00 0.00 61.98 63.25 2jpa s VAL 64 Cb 0.00 -3.78 0.15 0.00 0.00 0.00 0.00 36.38 32.74 2jpa s VAL 64 CO 0.00 0.24 0.33 -0.54 0.00 0.00 0.00 175.10 175.13 2jpa s LYS 65 N -0.85 1.75 0.45 2.72 1.02 -1.26 -4.70 119.74 118.87 2jpa s LYS 65 Ca 0.50 -2.56 0.24 0.00 0.02 0.00 0.00 55.97 54.17 2jpa s LYS 65 Cb -0.34 -2.78 0.44 0.00 -0.52 0.00 0.00 37.83 34.63 2jpa s LYS 65 CO 0.41 -1.21 1.65 -1.00 -0.92 0.00 0.00 175.35 174.27 2jpa h PRO 66 N 6.16 0.00 -5.90 -1.68 0.13 -1.83 -3.38 132.00 125.50 2jpa h PRO 66 Ca 0.05 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.54 2jpa h PRO 66 Cb 0.87 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.91 2jpa h PRO 66 CO 0.59 0.00 1.96 -0.06 -0.23 0.00 0.00 178.00 180.26 2jpa s PHE 67 N -3.25 2.67 -0.15 1.56 0.08 -0.40 -4.91 117.98 113.58 2jpa s PHE 67 Ca 0.06 -1.31 -0.19 0.00 0.12 0.00 0.00 56.93 55.62 2jpa s PHE 67 Cb 0.05 -4.70 -0.04 0.00 -0.57 0.00 0.00 43.02 37.77 2jpa s PHE 67 CO 0.66 -1.82 0.52 -1.14 -0.10 0.00 0.00 175.22 173.34 2jpa s GLN 68 N 4.56 4.29 0.15 0.44 2.00 -1.26 -0.61 119.66 129.23 2jpa s GLN 68 Ca 0.53 0.48 -0.31 0.00 -2.00 0.00 0.00 55.36 54.06 2jpa s GLN 68 Cb 0.03 -3.49 -0.08 0.00 0.80 0.00 0.00 33.01 30.27 2jpa s GLN 68 CO 0.04 0.03 1.38 0.00 -0.50 0.00 0.00 175.29 176.23 2jpa n LYS 70 N 3.48 0.18 0.00 0.00 0.00 -1.26 -2.53 118.16 118.03 2jpa n LYS 70 Ca 0.10 0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.63 2jpa n LYS 70 Cb 0.42 -1.74 0.00 0.00 -0.00 0.00 0.00 35.03 33.71 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 -2.06 0.00 1.38 0.58 -1.04 -1.26 -4.60 114.28 107.28 2jpa n THR 71 Ca 0.05 0.47 0.13 0.00 -2.04 0.00 0.00 64.05 62.67 2jpa n THR 71 Cb 0.35 -1.45 0.44 0.00 -1.82 0.00 0.00 70.33 67.85 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 -1.58 -1.60 0.00 1.13 -1.05 -5.00 117.38 109.69 2jpa n GLN 73 Ca 0.18 0.97 -0.31 0.00 -1.94 0.00 0.00 57.00 55.90 2jpa n GLN 73 Cb 0.40 -5.57 0.06 0.00 0.11 0.00 0.00 30.24 25.24 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 -4.95 2.77 -0.05 -1.09 1.81 -1.25 -4.78 118.95 111.40 2jpa s ARG 74 Ca 0.00 0.85 0.01 0.00 -1.72 0.00 0.00 55.73 54.87 2jpa s ARG 74 Cb 0.00 -1.98 0.02 0.00 -0.45 0.00 0.00 34.95 32.54 2jpa s ARG 74 CO 0.00 -1.19 -0.05 0.15 -0.68 0.00 0.00 175.30 173.53 2jpa s LYS 75 N -5.09 0.95 0.29 3.54 1.02 -1.26 -0.10 119.74 119.08 2jpa s LYS 75 Ca 0.58 -0.13 0.10 0.00 0.02 0.00 0.00 55.97 56.54 2jpa s LYS 75 Cb -0.14 -0.96 -0.06 0.00 -0.52 0.00 0.00 37.83 36.16 2jpa s LYS 75 CO 0.55 -0.10 -0.13 -0.06 -0.92 0.00 0.00 175.35 174.68 2jpa s PHE 76 N 1.03 2.18 -1.38 3.18 0.08 0.22 -4.95 117.98 118.35 2jpa s PHE 76 Ca -0.09 -0.48 0.15 0.00 0.12 0.00 0.00 56.93 56.62 2jpa s PHE 76 Cb -0.14 -1.10 0.01 0.00 -0.57 0.00 0.00 43.02 41.21 2jpa s PHE 76 CO -0.00 0.55 0.81 -1.13 -0.10 0.00 0.00 175.22 175.35 2jpa n SER 77 N -0.63 1.58 -3.87 1.36 3.41 -1.26 -1.27 113.62 112.94 2jpa n SER 77 Ca -0.06 -1.29 -0.16 0.00 -0.26 0.00 0.00 58.87 57.11 2jpa n SER 77 Cb 0.62 0.43 -0.15 0.00 -0.26 0.00 0.00 64.21 64.84 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 -1.71 0.28 0.39 4.33 0.52 -1.26 -4.90 118.95 116.59 2jpa s ARG 78 Ca 0.12 -0.01 0.09 0.00 -0.52 0.00 0.00 55.73 55.41 2jpa s ARG 78 Cb 0.12 -0.37 0.78 0.00 0.52 0.00 0.00 34.95 36.00 2jpa s ARG 78 CO 0.35 -0.04 1.93 0.66 0.02 0.00 0.00 175.30 178.22 2jpa h SER 79 N 6.70 0.27 -0.29 0.23 4.64 -1.98 -1.40 113.55 121.72 2jpa h SER 79 Ca -0.35 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 60.87 2jpa h SER 79 Cb 1.16 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 2jpa h SER 79 CO 0.49 0.39 0.03 -2.24 -0.87 0.00 0.00 176.83 174.64 2jpa h ASP 80 N 0.28 0.55 0.24 4.97 3.04 -1.98 0.19 116.42 123.71 2jpa h ASP 80 Ca 0.06 -0.10 -0.27 0.00 -3.24 0.00 0.00 57.03 53.48 2jpa h ASP 80 Cb 0.32 -0.14 0.02 0.00 -1.04 0.00 0.00 39.33 38.48 2jpa h ASP 80 CO 0.02 0.60 -1.12 0.45 -2.04 0.00 0.00 179.24 177.14 2jpa h HIS 81 N 0.57 0.82 -0.19 4.15 3.86 -1.84 -1.28 115.15 121.24 2jpa h HIS 81 Ca 0.12 -0.50 -0.01 0.00 -1.16 0.00 0.00 60.37 58.83 2jpa h HIS 81 Cb 0.31 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 2jpa h HIS 81 CO 0.01 1.34 0.07 1.25 0.86 0.00 0.00 177.93 181.46 2jpa h LEU 82 N 0.25 0.26 -1.05 2.43 6.46 -0.93 0.29 115.31 123.03 2jpa h LEU 82 Ca -0.14 -0.17 -0.05 0.00 -0.12 0.00 0.00 57.88 57.40 2jpa h LEU 82 Cb 1.78 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 41.62 2jpa h LEU 82 CO 0.21 0.37 0.14 0.50 -0.62 0.00 0.00 178.44 179.03 2jpa h LYS 83 N 0.15 0.82 -0.02 1.25 3.64 -0.70 0.42 116.57 122.13 2jpa h LYS 83 Ca 0.06 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2jpa h LYS 83 Cb 0.19 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2jpa h LYS 83 CO -0.00 0.73 0.00 1.15 -2.27 0.00 0.00 179.45 179.06 2jpa h THR 84 N 0.79 1.19 -0.22 1.00 2.02 -0.99 -2.92 112.91 113.77 2jpa h THR 84 Ca 0.18 -0.55 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 2jpa h THR 84 Cb 0.28 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 2jpa h THR 84 CO -0.00 0.15 -0.05 -0.74 0.37 0.00 0.00 175.52 175.24 2jpa h HIS 85 N -0.20 0.34 -0.95 3.16 -0.00 -0.13 -1.86 115.15 115.52 2jpa h HIS 85 Ca 0.01 -0.03 0.12 0.00 -0.00 0.00 0.00 60.37 60.47 2jpa h HIS 85 Cb 0.23 -0.10 -0.08 0.00 -0.00 0.00 0.00 27.41 27.46 2jpa h HIS 85 CO 0.00 0.40 0.58 1.15 -0.00 0.00 0.00 177.93 180.06 2jpa h THR 86 N 0.32 0.89 0.00 6.26 2.02 0.02 -0.13 112.91 122.28 2jpa h THR 86 Ca 0.07 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 2jpa h THR 86 Cb 0.31 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.62 2jpa h THR 86 CO 0.01 0.16 -0.03 0.03 0.37 0.00 0.00 175.52 176.07 2jpa h ARG 87 N 0.90 0.00 -0.96 6.66 3.08 -1.22 -0.12 114.38 122.73 2jpa h ARG 87 Ca 0.48 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.66 2jpa h ARG 87 Cb 0.50 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.47 2jpa h ARG 87 CO -0.28 0.03 0.61 1.15 -1.07 0.00 0.00 179.97 180.41 2jpa h THR 88 N 0.00 0.88 0.00 2.04 2.02 -1.11 0.13 112.91 116.87 2jpa h THR 88 Ca -0.00 -0.30 -0.18 0.00 0.77 0.00 0.00 66.41 66.70 2jpa h THR 88 Cb 0.12 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.44 2jpa h THR 88 CO 0.00 0.16 -1.03 0.45 0.37 0.00 0.00 175.52 175.47 2jpa h HIS 89 N 0.87 0.00 -0.01 3.16 3.86 -1.14 -3.33 115.15 118.56 2jpa h HIS 89 Ca 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.69 2jpa h HIS 89 Cb 0.59 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.06 2jpa h HIS 89 CO -0.00 0.77 -0.37 0.25 0.86 0.00 0.00 177.93 179.44 2jpa n THR 90 N -3.18 0.00 -0.98 2.45 -2.24 -0.70 -4.93 114.28 104.69 2jpa n THR 90 Ca -0.04 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2jpa n THR 90 Cb 0.88 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 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 0.13 3.55 3.38 0.00 0.38 -4.91 105.19 109.11 2jpa n GLY 91 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 2jpa n GLY 91 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jpa s GLU 92 N -1.48 2.68 -0.62 1.61 2.12 -1.14 -4.92 118.70 116.96 2jpa s GLU 92 Ca 0.00 0.57 0.04 0.00 0.36 0.00 0.00 54.97 55.95 2jpa s GLU 92 Cb 0.00 -4.37 0.15 0.00 0.26 0.00 0.00 34.13 30.17 2jpa s GLU 92 CO 0.00 -2.67 0.39 0.15 -0.54 0.00 0.00 175.26 172.59 2jpa s LYS 93 N 6.92 2.21 0.15 4.30 1.02 -1.26 -4.44 119.74 128.63 2jpa s LYS 93 Ca 0.65 -3.00 0.25 0.00 0.02 0.00 0.00 55.97 53.89 2jpa s LYS 93 Cb -0.12 -3.32 0.48 0.00 -0.52 0.00 0.00 37.83 34.35 2jpa s LYS 93 CO 0.21 -1.21 1.46 -0.35 -0.92 0.00 0.00 175.35 174.53 2jpa n PRO 94 N 2.49 0.28 -2.62 -1.68 -0.04 -1.03 -4.42 135.00 127.97 2jpa n PRO 94 Ca 0.14 0.13 -0.43 0.00 -0.04 0.00 0.00 63.50 63.29 2jpa n PRO 94 Cb 0.34 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 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 -2.15 4.48 -2.73 0.54 3.72 -0.38 -4.91 117.46 116.03 2jpa n PHE 95 Ca 0.04 -3.06 -0.36 0.00 -0.05 0.00 0.00 57.45 54.02 2jpa n PHE 95 Cb 0.44 -2.36 -0.06 0.00 -0.94 0.00 0.00 39.48 36.55 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 3.15 7.10 0.80 4.37 0.15 -1.26 -0.82 113.70 127.18 2jpa s SER 96 Ca 0.47 1.86 -0.11 0.00 0.70 0.00 0.00 55.95 58.87 2jpa s SER 96 Cb 0.03 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.84 2jpa s SER 96 CO 0.02 -0.24 1.09 0.00 1.20 0.00 0.00 173.24 175.31 2jpa n ARG 98 N -3.57 0.35 -1.86 0.00 3.00 -1.26 -4.69 116.66 108.62 2jpa n ARG 98 Ca 0.08 -0.63 -0.37 0.00 -0.01 0.00 0.00 57.85 56.93 2jpa n ARG 98 Cb 0.54 -0.81 0.05 0.00 0.00 0.00 0.00 32.46 32.23 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 -0.24 2.27 -0.75 -1.55 0.52 -1.26 -4.86 118.94 113.07 2jpa s TRP 99 Ca 0.00 1.46 0.00 0.00 0.02 0.00 0.00 56.10 57.58 2jpa s TRP 99 Cb 0.00 -3.65 0.00 0.00 -1.15 0.00 0.00 33.47 28.67 2jpa s TRP 99 CO 0.00 -2.64 0.40 -0.35 0.02 0.00 0.00 176.95 174.38 2jpa n PRO 100 N -1.48 0.63 -0.46 4.98 -0.04 -1.26 -2.09 135.00 135.29 2jpa n PRO 100 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2jpa n PRO 100 Cb 0.48 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 2jpa n PRO 100 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jpa n SER 101 N 0.31 0.00 -3.94 3.54 2.88 -1.26 -5.14 113.62 110.01 2jpa n SER 101 Ca 0.00 -1.25 -0.10 0.00 -1.33 0.00 0.00 58.87 56.20 2jpa n SER 101 Cb 0.20 -0.05 -0.10 0.00 -0.75 0.00 0.00 64.21 63.51 2jpa n SER 101 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jpa n GLN 103 N 1.27 0.00 -2.49 0.00 1.13 -1.26 -4.48 117.38 111.55 2jpa n GLN 103 Ca -0.22 -1.27 -0.37 0.00 -1.94 0.00 0.00 57.00 53.20 2jpa n GLN 103 Cb 0.56 -0.14 -0.04 0.00 0.11 0.00 0.00 30.24 30.73 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 0.00 4.12 -0.04 -1.09 1.02 -1.26 -4.72 119.74 117.77 2jpa s LYS 104 Ca 0.13 1.57 0.03 0.00 0.02 0.00 0.00 55.97 57.72 2jpa s LYS 104 Cb 0.15 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.92 2jpa s LYS 104 CO -0.07 -0.19 -0.14 0.15 -0.92 0.00 0.00 175.35 174.19 2jpa s LYS 105 N -2.49 1.54 0.34 1.68 1.02 -1.26 -0.19 119.74 120.38 2jpa s LYS 105 Ca 0.58 -0.47 0.08 0.00 0.02 0.00 0.00 55.97 56.18 2jpa s LYS 105 Cb -0.23 -1.33 -0.05 0.00 -0.52 0.00 0.00 37.83 35.70 2jpa s LYS 105 CO 0.29 0.15 0.09 -0.06 -0.92 0.00 0.00 175.35 174.91 2jpa s PHE 106 N 0.25 2.64 -2.51 3.18 0.08 -0.01 -4.90 117.98 116.72 2jpa s PHE 106 Ca -0.07 -0.41 0.22 0.00 0.12 0.00 0.00 56.93 56.80 2jpa s PHE 106 Cb -0.12 -1.59 0.31 0.00 -0.57 0.00 0.00 43.02 41.05 2jpa s PHE 106 CO 0.02 0.39 1.30 0.00 -0.10 0.00 0.00 175.22 176.83 2jpa n ALA 107 N -1.08 2.43 -2.78 5.36 0.00 -1.26 -1.25 120.51 121.94 2jpa n ALA 107 Ca -0.03 -0.87 -0.15 0.00 0.00 0.00 0.00 53.44 52.39 2jpa n ALA 107 Cb 0.62 -0.79 -0.14 0.00 0.00 0.00 0.00 19.45 19.13 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 0.41 0.12 0.00 0.52 -1.26 -4.88 118.95 112.26 2jpa s ARG 108 Ca 0.32 -0.24 -0.21 0.00 -0.52 0.00 0.00 55.73 55.08 2jpa s ARG 108 Cb 0.20 -0.37 -0.07 0.00 0.52 0.00 0.00 34.95 35.24 2jpa s ARG 108 CO 0.29 0.10 1.71 0.66 0.02 0.00 0.00 175.30 178.08 2jpa h SER 109 N 5.86 -0.17 -0.19 0.23 4.64 -1.96 -1.93 113.55 120.03 2jpa h SER 109 Ca -0.28 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.04 2jpa h SER 109 Cb 1.19 0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 2jpa h SER 109 CO 0.49 -0.07 0.02 -2.24 -0.87 0.00 0.00 176.83 174.16 2jpa h ASP 110 N -0.03 0.40 -0.61 4.97 2.03 -1.98 0.79 116.42 121.98 2jpa h ASP 110 Ca 0.06 -0.06 -0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2jpa h ASP 110 Cb 0.13 -0.10 -0.03 0.00 -0.83 0.00 0.00 39.33 38.49 2jpa h ASP 110 CO -0.14 0.45 0.38 -0.33 -1.03 0.00 0.00 179.24 178.57 2jpa h GLU 111 N 0.42 0.83 -0.61 4.15 5.08 -1.85 0.18 114.58 122.77 2jpa h GLU 111 Ca 0.10 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 2jpa h GLU 111 Cb 0.26 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2jpa h GLU 111 CO 0.00 0.58 0.04 1.25 -1.00 0.00 0.00 179.01 179.89 2jpa h LEU 112 N 0.83 1.03 -0.43 1.33 5.85 -0.57 -0.01 115.31 123.33 2jpa h LEU 112 Ca 0.22 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.68 2jpa h LEU 112 Cb -0.04 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 2jpa h LEU 112 CO -0.04 1.06 0.23 0.58 -0.34 0.00 0.00 178.44 179.93 2jpa h VAL 113 N 0.96 1.00 -0.32 1.05 2.07 -0.41 -0.34 116.25 120.26 2jpa h VAL 113 Ca 0.18 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 2jpa h VAL 113 Cb 0.51 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2jpa h VAL 113 CO 0.02 0.08 0.19 -0.09 0.02 0.00 0.00 177.57 177.80 2jpa h ARG 114 N 0.46 0.44 -0.31 1.57 2.43 -0.47 -1.58 114.38 116.92 2jpa h ARG 114 Ca 0.18 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.37 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 0.34 -0.04 1.25 -1.51 0.00 0.00 179.97 179.90 2jpa h HIS 115 N 0.41 -0.09 -0.99 2.20 2.76 -0.44 0.12 115.15 119.11 2jpa h HIS 115 Ca 0.11 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.39 2jpa h HIS 115 Cb 0.02 0.09 -0.07 0.00 1.55 0.00 0.00 27.41 29.00 2jpa h HIS 115 CO -0.04 -0.10 0.64 0.45 -1.30 0.00 0.00 177.93 177.58 2jpa h HIS 116 N 0.04 1.16 0.00 5.26 3.86 -0.91 -0.04 115.15 124.53 2jpa h HIS 116 Ca 0.15 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2jpa h HIS 116 Cb 0.22 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.31 2jpa h HIS 116 CO -0.26 0.57 0.00 -0.97 0.86 0.00 0.00 177.93 178.13 2jpa h ASN 117 N 1.11 0.00 -0.18 2.45 -0.00 0.22 -1.85 115.58 117.32 2jpa h ASN 117 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.74 2jpa h ASN 117 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.57 2jpa h ASN 117 CO -0.19 0.00 0.00 0.23 -0.00 0.00 0.00 177.43 177.47 2jpa n MET 118 N -2.43 2.72 0.00 6.67 2.81 -0.18 -5.08 117.12 121.63 2jpa n MET 118 Ca 0.01 -2.10 0.14 0.00 -1.81 0.00 0.00 57.70 53.95 2jpa n MET 118 Cb 0.22 -1.32 0.85 0.00 -0.71 0.00 0.00 33.22 32.26 2jpa n MET 118 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06