#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dp2 s GLN 11 N 0.00 4.13 -0.02 -1.46 -0.21 -1.26 -3.30 119.66 117.54 3dp2 s GLN 11 Ca 0.00 0.46 0.05 0.00 0.02 0.00 0.00 55.36 55.89 3dp2 s GLN 11 Cb 0.00 -3.31 -0.01 0.00 1.00 0.00 0.00 33.01 30.69 3dp2 s GLN 11 CO 0.00 0.46 -0.16 -0.06 -2.12 0.00 0.00 175.29 173.41 3dp2 s PHE 12 N -0.38 1.49 0.51 0.91 0.40 -0.57 -4.99 117.98 115.35 3dp2 s PHE 12 Ca 0.25 -0.29 0.07 0.00 -0.60 0.00 0.00 56.93 56.36 3dp2 s PHE 12 Cb -0.16 -0.97 0.04 0.00 0.51 0.00 0.00 43.02 42.44 3dp2 s PHE 12 CO 0.13 -0.04 0.51 -0.06 0.70 0.00 0.00 175.22 176.46 3dp2 s PHE 13 N -0.35 1.90 0.28 0.36 0.40 -1.26 -1.24 117.98 118.07 3dp2 s PHE 13 Ca 0.06 -0.70 0.02 0.00 -0.60 0.00 0.00 56.93 55.70 3dp2 s PHE 13 Cb -0.07 -2.08 0.68 0.00 0.51 0.00 0.00 43.02 42.06 3dp2 s PHE 13 CO -0.00 -0.57 1.67 0.97 0.70 0.00 0.00 175.22 177.99 3dp2 h ILE 14 N 0.66 0.40 -0.89 0.64 6.09 -1.88 -0.32 117.51 122.22 3dp2 h ILE 14 Ca -0.36 -0.10 0.05 0.00 -1.37 0.00 0.00 64.86 63.08 3dp2 h ILE 14 Cb 1.29 0.09 -0.06 0.00 0.47 0.00 0.00 36.82 38.61 3dp2 h ILE 14 CO 0.52 0.05 0.57 -0.33 -3.07 0.00 0.00 178.15 175.89 3dp2 h GLU 15 N 0.29 1.04 -0.34 2.19 3.07 -1.95 0.81 114.58 119.70 3dp2 h GLU 15 Ca 0.53 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 59.25 3dp2 h GLU 15 Cb 1.03 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.70 3dp2 h GLU 15 CO -0.59 0.69 -0.11 0.45 -1.40 0.00 0.00 179.01 178.06 3dp2 h HIS 16 N 1.08 0.75 -0.76 4.33 3.86 -1.48 -3.04 115.15 119.90 3dp2 h HIS 16 Ca 0.37 -0.17 0.03 0.00 -1.16 0.00 0.00 60.37 59.44 3dp2 h HIS 16 Cb 0.07 -0.18 -0.05 0.00 1.06 0.00 0.00 27.41 28.32 3dp2 h HIS 16 CO -0.02 0.84 0.48 0.82 0.86 0.00 0.00 177.93 180.91 3dp2 h ILE 17 N 0.44 1.12 0.00 2.45 2.04 -0.54 -1.70 117.51 121.32 3dp2 h ILE 17 Ca 0.08 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 3dp2 h ILE 17 Cb 0.62 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3dp2 h ILE 17 CO 0.04 0.17 -0.01 -0.07 0.00 0.00 0.00 178.15 178.28 3dp2 h LEU 18 N 0.94 0.00 0.00 1.44 3.38 -0.75 -1.15 115.31 119.16 3dp2 h LEU 18 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3dp2 h LEU 18 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3dp2 h LEU 18 CO -0.11 0.01 -0.37 0.00 0.09 0.00 0.00 178.44 178.07 3dp2 n GLN 19 N -3.87 0.17 -0.09 1.13 6.02 -0.65 -4.39 117.38 115.70 3dp2 n GLN 19 Ca -0.03 0.08 -0.17 0.00 -0.01 0.00 0.00 57.00 56.87 3dp2 n GLN 19 Cb 0.09 -1.63 -0.06 0.00 1.02 0.00 0.00 30.24 29.66 3dp2 n GLN 19 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3dp2 n ILE 20 N -1.89 1.29 -2.87 5.09 2.08 -0.55 -4.48 119.36 118.03 3dp2 n ILE 20 Ca 0.05 -0.10 -0.40 0.00 0.56 0.00 0.00 62.75 62.86 3dp2 n ILE 20 Cb 0.40 -1.95 -0.06 0.00 -0.75 0.00 0.00 39.64 37.28 3dp2 n ILE 20 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3dp2 s LEU 21 N -7.39 4.60 0.08 1.39 1.43 -0.55 -4.87 118.68 113.37 3dp2 s LEU 21 Ca -0.27 1.76 0.28 0.00 -1.03 0.00 0.00 54.13 54.87 3dp2 s LEU 21 Cb 0.08 -3.43 1.07 0.00 0.03 0.00 0.00 46.19 43.94 3dp2 s LEU 21 CO 0.36 0.16 1.87 -0.81 0.23 0.00 0.00 176.35 178.16 3dp2 n PRO 22 N 1.72 0.10 -2.03 1.29 -0.04 -1.26 -4.73 135.00 130.05 3dp2 n PRO 22 Ca -0.03 0.08 -0.41 0.00 -0.04 0.00 0.00 63.50 63.09 3dp2 n PRO 22 Cb 0.48 -1.61 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 3dp2 n PRO 22 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3dp2 s HIS 23 N -3.04 2.99 0.33 0.54 3.76 -1.26 -5.03 115.29 113.58 3dp2 s HIS 23 Ca 0.13 1.16 0.03 0.00 -0.15 0.00 0.00 55.06 56.23 3dp2 s HIS 23 Cb 0.17 -3.79 -0.01 0.00 1.11 0.00 0.00 32.58 30.05 3dp2 s HIS 23 CO 0.56 -2.44 0.12 0.54 -0.85 0.00 0.00 174.74 172.66 3dp2 n ARG 24 N 1.72 0.64 -1.97 1.40 5.12 -1.26 -4.63 116.66 117.68 3dp2 n ARG 24 Ca 0.04 -2.78 -0.40 0.00 -1.93 0.00 0.00 57.85 52.78 3dp2 n ARG 24 Cb 0.41 1.53 -0.01 0.00 -1.16 0.00 0.00 32.46 33.23 3dp2 n ARG 24 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 3dp2 s TYR 25 N -2.79 2.79 -0.70 -1.55 6.14 -1.26 0.43 117.35 120.41 3dp2 s TYR 25 Ca 0.17 1.32 -0.01 0.00 0.64 0.00 0.00 57.07 59.18 3dp2 s TYR 25 Cb 0.01 -3.82 0.42 0.00 0.42 0.00 0.00 41.96 38.99 3dp2 s TYR 25 CO 0.12 -2.39 1.96 -0.35 0.64 0.00 0.00 175.55 175.53 3dp2 n PRO 26 N 0.47 2.78 -0.07 4.97 -0.04 -1.26 -4.92 135.00 136.94 3dp2 n PRO 26 Ca 0.01 -3.44 0.03 0.00 -0.04 0.00 0.00 63.50 60.06 3dp2 n PRO 26 Cb 0.41 -2.28 0.04 0.00 -0.04 0.00 0.00 33.50 31.63 3dp2 n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3dp2 n MET 27 N -0.78 1.75 -3.23 0.54 2.81 0.17 -4.94 117.12 113.44 3dp2 n MET 27 Ca 0.58 -1.55 -0.44 0.00 -1.81 0.00 0.00 57.70 54.48 3dp2 n MET 27 Cb 0.54 -0.99 -0.06 0.00 -0.71 0.00 0.00 33.22 32.00 3dp2 n MET 27 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3dp2 s LEU 28 N -1.21 5.29 -0.50 4.03 2.96 -0.78 -4.64 118.68 123.82 3dp2 s LEU 28 Ca 0.08 -1.16 0.02 0.00 -0.22 0.00 0.00 54.13 52.86 3dp2 s LEU 28 Cb 0.07 -2.33 0.51 0.00 0.50 0.00 0.00 46.19 44.93 3dp2 s LEU 28 CO 0.01 -0.84 1.77 0.18 -1.32 0.00 0.00 176.35 176.14 3dp2 n LEU 29 N 5.85 6.45 -3.67 -0.68 4.77 -1.26 -4.89 117.00 123.57 3dp2 n LEU 29 Ca -0.09 -4.16 -0.20 0.00 -0.03 0.00 0.00 56.01 51.53 3dp2 n LEU 29 Cb 0.44 -0.78 -0.18 0.00 -2.33 0.00 0.00 43.42 40.57 3dp2 n LEU 29 CO 0.53 1.47 -0.34 -0.69 -1.33 0.00 0.00 177.39 177.03 3dp2 s VAL 30 N -4.24 -0.09 -0.15 4.08 1.01 -1.26 -4.65 120.40 115.11 3dp2 s VAL 30 Ca 0.58 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.98 3dp2 s VAL 30 Cb 0.47 -0.17 -0.23 0.00 0.00 0.00 0.00 36.38 36.45 3dp2 s VAL 30 CO 0.02 0.18 0.24 0.47 0.00 0.00 0.00 175.10 176.02 3dp2 n ASP 31 N 5.29 1.73 -3.68 3.32 8.00 -0.16 -4.93 116.55 126.13 3dp2 n ASP 31 Ca -0.03 0.14 -0.15 0.00 0.71 0.00 0.00 54.79 55.46 3dp2 n ASP 31 Cb 0.50 -0.49 -0.08 0.00 -0.02 0.00 0.00 41.12 41.04 3dp2 n ASP 31 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3dp2 s ARG 32 N -2.55 0.80 -0.26 -1.24 3.52 -0.98 -2.81 118.95 115.44 3dp2 s ARG 32 Ca -0.22 -0.08 -0.02 0.00 -0.13 0.00 0.00 55.73 55.27 3dp2 s ARG 32 Cb 0.07 0.36 0.03 0.00 -1.56 0.00 0.00 34.95 33.85 3dp2 s ARG 32 CO 0.74 -0.24 -0.04 0.42 -0.81 0.00 0.00 175.30 175.38 3dp2 s ILE 33 N -1.41 3.03 -0.29 4.11 1.01 -0.37 -1.14 121.20 126.14 3dp2 s ILE 33 Ca -0.12 -1.02 0.22 0.00 0.00 0.00 0.00 60.65 59.74 3dp2 s ILE 33 Cb -0.03 -2.56 -0.13 0.00 0.01 0.00 0.00 42.46 39.75 3dp2 s ILE 33 CO 0.05 0.15 0.89 0.35 0.00 0.00 0.00 174.94 176.38 3dp2 n THR 34 N 4.69 0.32 -3.73 2.92 -2.24 -0.22 -1.52 114.28 114.50 3dp2 n THR 34 Ca -0.16 -0.44 -0.12 0.00 -2.27 0.00 0.00 64.05 61.05 3dp2 n THR 34 Cb 0.47 -0.08 -0.10 0.00 -2.10 0.00 0.00 70.33 68.51 3dp2 n THR 34 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3dp2 s GLU 35 N -3.36 0.44 -0.20 -0.78 2.12 -0.73 -4.58 118.70 111.61 3dp2 s GLU 35 Ca -0.01 0.61 -0.06 0.00 0.36 0.00 0.00 54.97 55.87 3dp2 s GLU 35 Cb 0.12 0.16 0.10 0.00 0.26 0.00 0.00 34.13 34.77 3dp2 s GLU 35 CO 0.83 -0.08 0.40 -1.17 -0.54 0.00 0.00 175.26 174.70 3dp2 s LEU 36 N 0.52 -0.63 -0.20 2.70 2.96 -1.25 -0.93 118.68 121.85 3dp2 s LEU 36 Ca -0.03 0.83 0.01 0.00 -0.22 0.00 0.00 54.13 54.73 3dp2 s LEU 36 Cb -0.04 1.27 0.04 0.00 0.50 0.00 0.00 46.19 47.96 3dp2 s LEU 36 CO -0.03 -0.24 -0.14 -1.10 -1.32 0.00 0.00 176.35 173.52 3dp2 s GLN 37 N 2.59 2.38 0.14 1.98 -0.21 0.62 -4.89 119.66 122.28 3dp2 s GLN 37 Ca 0.01 -0.93 -0.35 0.00 0.02 0.00 0.00 55.36 54.11 3dp2 s GLN 37 Cb -0.13 -2.54 -0.15 0.00 1.00 0.00 0.00 33.01 31.19 3dp2 s GLN 37 CO -0.13 -0.38 1.41 0.00 -2.12 0.00 0.00 175.29 174.07 3dp2 n ALA 38 N 4.61 0.14 -0.80 6.09 0.00 -1.26 -1.21 120.51 128.09 3dp2 n ALA 38 Ca -0.17 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3dp2 n ALA 38 Cb 0.47 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.72 3dp2 n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dp2 n ASN 39 N 2.74 -2.76 0.00 0.00 4.13 -1.26 -4.74 115.26 113.38 3dp2 n ASN 39 Ca 0.17 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.43 3dp2 n ASN 39 Cb 0.25 -2.51 0.00 0.00 -1.54 0.00 0.00 39.78 35.97 3dp2 n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3dp2 n GLN 40 N -0.85 0.00 -3.90 3.52 6.02 -0.35 -4.63 117.38 117.19 3dp2 n GLN 40 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 3dp2 n GLN 40 Cb 0.21 -0.05 -0.03 0.00 1.02 0.00 0.00 30.24 31.39 3dp2 n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3dp2 s LYS 41 N -1.10 1.76 -0.01 -1.09 -2.85 -0.61 -0.41 119.74 115.44 3dp2 s LYS 41 Ca 0.00 -1.11 -0.11 0.00 -1.00 0.00 0.00 55.97 53.75 3dp2 s LYS 41 Cb 0.00 0.57 0.01 0.00 -2.06 0.00 0.00 37.83 36.35 3dp2 s LYS 41 CO 0.00 -0.79 0.22 -1.50 0.10 0.00 0.00 175.35 173.38 3dp2 s ILE 42 N -3.81 0.07 -0.06 3.79 2.07 -0.34 -0.27 121.20 122.65 3dp2 s ILE 42 Ca 0.15 -0.58 -0.00 0.00 -1.41 0.00 0.00 60.65 58.80 3dp2 s ILE 42 Cb -0.04 -0.52 0.03 0.00 0.13 0.00 0.00 42.46 42.05 3dp2 s ILE 42 CO 0.08 -0.32 -0.01 -0.69 -1.91 0.00 0.00 174.94 172.09 3dp2 s VAL 43 N -1.35 0.38 0.28 4.00 1.01 -0.11 -2.30 120.40 122.32 3dp2 s VAL 43 Ca -0.14 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 3dp2 s VAL 43 Cb -0.06 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 3dp2 s VAL 43 CO 0.03 0.23 0.33 0.00 0.00 0.00 0.00 175.10 175.69 3dp2 s ALA 44 N 1.56 0.89 0.16 5.51 0.00 -0.60 -1.05 121.76 128.23 3dp2 s ALA 44 Ca -0.01 -1.55 -0.15 0.00 0.00 0.00 0.00 51.96 50.25 3dp2 s ALA 44 Cb -0.13 1.27 0.02 0.00 0.00 0.00 0.00 23.12 24.28 3dp2 s ALA 44 CO -0.03 -0.72 0.42 1.52 0.00 0.00 0.00 175.76 176.95 3dp2 s TYR 45 N -3.67 -0.04 -0.05 0.00 1.13 -0.29 0.21 117.35 114.65 3dp2 s TYR 45 Ca 0.33 -0.31 0.01 0.00 -1.41 0.00 0.00 57.07 55.69 3dp2 s TYR 45 Cb 0.02 0.25 0.02 0.00 -1.10 0.00 0.00 41.96 41.15 3dp2 s TYR 45 CO 0.17 -0.80 -0.04 0.21 -2.51 0.00 0.00 175.55 172.58 3dp2 s LYS 46 N -3.87 0.83 0.27 -3.49 2.20 -0.03 -0.99 119.74 114.66 3dp2 s LYS 46 Ca 0.09 -0.09 -0.29 0.00 -0.36 0.00 0.00 55.97 55.32 3dp2 s LYS 46 Cb 0.01 -0.87 -0.09 0.00 -1.51 0.00 0.00 37.83 35.37 3dp2 s LYS 46 CO -0.06 -0.10 0.94 -0.80 -0.36 0.00 0.00 175.35 174.98 3dp2 s ASN 47 N 1.02 7.53 -0.26 1.43 0.01 -1.26 -0.75 114.94 122.65 3dp2 s ASN 47 Ca -0.09 1.91 -0.06 0.00 -0.71 0.00 0.00 52.86 53.90 3dp2 s ASN 47 Cb -0.14 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 38.91 3dp2 s ASN 47 CO -0.00 0.07 0.04 -0.63 -1.51 0.00 0.00 177.10 175.07 3dp2 s ILE 48 N -1.35 3.92 0.17 0.60 -1.09 0.22 -4.92 121.20 118.76 3dp2 s ILE 48 Ca 0.45 -0.45 0.08 0.00 -2.23 0.00 0.00 60.65 58.50 3dp2 s ILE 48 Cb -0.23 -2.89 -0.04 0.00 -1.58 0.00 0.00 42.46 37.71 3dp2 s ILE 48 CO 0.29 0.27 -0.17 0.28 -1.23 0.00 0.00 174.94 174.37 3dp2 s THR 49 N 1.53 1.80 0.39 2.92 -1.32 -1.26 0.76 115.64 120.45 3dp2 s THR 49 Ca 0.05 -1.98 0.20 0.00 -1.21 0.00 0.00 61.69 58.76 3dp2 s THR 49 Cb -0.16 -1.88 0.21 0.00 -1.51 0.00 0.00 72.50 69.17 3dp2 s THR 49 CO 0.01 -0.38 1.97 0.15 -2.21 0.00 0.00 174.62 174.17 3dp2 h PHE 50 N 3.11 0.00 0.00 9.09 3.57 -1.96 -3.24 116.94 127.51 3dp2 h PHE 50 Ca -0.41 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.09 3dp2 h PHE 50 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 3dp2 h PHE 50 CO 0.69 0.21 0.00 -1.71 -2.23 0.00 0.00 178.31 175.27 3dp2 n ASN 51 N -3.88 2.43 -4.29 0.41 4.05 -1.26 -4.74 115.26 107.97 3dp2 n ASN 51 Ca -0.02 -1.52 -0.32 0.00 0.45 0.00 0.00 54.58 53.17 3dp2 n ASN 51 Cb 0.30 -0.49 -0.16 0.00 1.23 0.00 0.00 39.78 40.66 3dp2 n ASN 51 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3dp2 s GLU 52 N 0.78 3.00 0.43 1.20 2.02 -1.22 -5.02 118.70 119.89 3dp2 s GLU 52 Ca 0.00 -0.82 0.20 0.00 0.02 0.00 0.00 54.97 54.37 3dp2 s GLU 52 Cb 0.00 -2.37 1.14 0.00 0.10 0.00 0.00 34.13 33.00 3dp2 s GLU 52 CO 0.00 0.26 1.82 0.22 0.02 0.00 0.00 175.26 177.59 3dp2 h ASP 53 N 6.47 0.37 -0.86 -0.19 3.58 -1.94 -1.72 116.42 122.14 3dp2 h ASP 53 Ca -0.26 0.05 0.22 0.00 0.42 0.00 0.00 57.03 57.47 3dp2 h ASP 53 Cb 1.21 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 42.20 3dp2 h ASP 53 CO 0.50 0.12 0.59 -0.37 -2.88 0.00 0.00 179.24 177.19 3dp2 h VAL 54 N 0.35 0.64 0.00 2.25 -1.51 -1.95 -1.05 116.25 114.99 3dp2 h VAL 54 Ca 0.52 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.92 3dp2 h VAL 54 Cb 1.40 0.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 3dp2 h VAL 54 CO -0.20 0.04 0.00 -0.26 -1.23 0.00 0.00 177.57 175.92 3dp2 h PHE 55 N 0.22 0.00 0.00 5.19 0.05 -1.59 -2.18 116.94 118.63 3dp2 h PHE 55 Ca 0.43 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 62.19 3dp2 h PHE 55 Cb 1.35 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 39.29 3dp2 h PHE 55 CO -0.00 0.00 -0.15 -0.91 -0.18 0.00 0.00 178.31 177.07 3dp2 h ASN 56 N 0.00 0.00 0.00 2.17 2.35 -1.35 -3.26 115.58 115.48 3dp2 h ASN 56 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dp2 h ASN 56 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 3dp2 h ASN 56 CO 0.00 0.15 0.00 0.61 -1.65 0.00 0.00 177.43 176.54 3dp2 n GLY 57 N -1.06 0.46 2.20 2.83 0.00 -1.00 -4.10 105.19 104.52 3dp2 n GLY 57 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 3dp2 n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3dp2 n HIS 58 N -0.21 -0.34 -4.28 1.61 -0.00 -0.85 -4.45 115.22 106.70 3dp2 n HIS 58 Ca 0.00 -3.56 -0.15 0.00 -0.00 0.00 0.00 57.72 54.01 3dp2 n HIS 58 Cb 0.19 -0.33 -0.10 0.00 -0.00 0.00 0.00 29.99 29.75 3dp2 n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3dp2 s PHE 59 N -1.14 1.39 0.28 1.57 0.40 0.14 -1.00 117.98 119.62 3dp2 s PHE 59 Ca 0.35 -0.80 -0.30 0.00 -0.60 0.00 0.00 56.93 55.57 3dp2 s PHE 59 Cb 0.16 -0.74 -0.12 0.00 0.51 0.00 0.00 43.02 42.84 3dp2 s PHE 59 CO -0.11 0.06 1.56 -0.35 0.70 0.00 0.00 175.22 177.07 3dp2 n PRO 60 N -0.28 2.57 -0.85 0.24 -0.04 -1.26 -0.81 135.00 134.57 3dp2 n PRO 60 Ca -0.08 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 3dp2 n PRO 60 Cb 0.62 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 3dp2 n PRO 60 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3dp2 n ASN 61 N 2.21 -2.07 -2.82 3.54 3.02 -1.26 -4.86 115.26 113.02 3dp2 n ASN 61 Ca 0.09 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.60 3dp2 n ASN 61 Cb 0.36 -1.71 0.01 0.00 -0.61 0.00 0.00 39.78 37.82 3dp2 n ASN 61 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3dp2 s LYS 62 N -0.79 1.05 -0.16 3.52 2.20 0.01 -5.14 119.74 120.43 3dp2 s LYS 62 Ca 0.00 -1.02 -0.29 0.00 -0.36 0.00 0.00 55.97 54.30 3dp2 s LYS 62 Cb 0.00 -0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.20 3dp2 s LYS 62 CO 0.00 -1.32 1.77 -1.25 -0.36 0.00 0.00 175.35 174.19 3dp2 s PRO 63 N 0.94 3.80 -0.06 4.03 0.04 -1.21 -0.68 135.00 141.86 3dp2 s PRO 63 Ca 0.29 1.94 -0.01 0.00 0.04 0.00 0.00 61.00 63.25 3dp2 s PRO 63 Cb -0.00 -4.10 0.03 0.00 0.04 0.00 0.00 34.50 30.46 3dp2 s PRO 63 CO -0.06 -1.31 0.02 0.42 0.04 0.00 0.00 177.00 176.12 3dp2 s ILE 64 N 5.40 0.25 0.08 0.56 1.01 -0.17 -4.58 121.20 123.76 3dp2 s ILE 64 Ca 0.79 0.20 -0.31 0.00 0.00 0.00 0.00 60.65 61.33 3dp2 s ILE 64 Cb -0.30 -0.43 -0.09 0.00 0.01 0.00 0.00 42.46 41.66 3dp2 s ILE 64 CO 0.32 0.24 1.65 0.12 0.00 0.00 0.00 174.94 177.27 3dp2 s PHE 65 N 1.98 2.47 0.12 3.97 5.36 -0.03 -4.57 117.98 127.28 3dp2 s PHE 65 Ca 0.04 0.33 -0.35 0.00 -0.96 0.00 0.00 56.93 56.00 3dp2 s PHE 65 Cb -0.12 -3.97 -0.15 0.00 -0.34 0.00 0.00 43.02 38.44 3dp2 s PHE 65 CO -0.04 -3.88 1.53 -2.30 -1.46 0.00 0.00 175.22 169.07 3dp2 n PRO 66 N 5.44 1.84 -0.30 10.12 -0.02 -1.26 -4.59 135.00 146.22 3dp2 n PRO 66 Ca 0.16 0.66 0.06 0.00 -2.02 0.00 0.00 63.50 62.36 3dp2 n PRO 66 Cb 0.40 -2.40 0.27 0.00 -0.02 0.00 0.00 33.50 31.75 3dp2 n PRO 66 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3dp2 h GLY 67 N 5.73 1.34 1.96 -1.23 0.00 -1.99 -0.02 103.07 108.86 3dp2 h GLY 67 Ca -0.46 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.42 3dp2 h GLY 67 CO 0.86 0.24 -0.27 -0.39 0.00 0.00 0.00 176.54 176.99 3dp2 h VAL 68 N 0.96 1.20 0.00 4.60 -1.51 -2.00 -1.60 116.25 117.90 3dp2 h VAL 68 Ca 0.41 -0.96 -0.02 0.00 -1.23 0.00 0.00 66.70 64.90 3dp2 h VAL 68 Cb 0.33 1.48 -0.00 0.00 -2.13 0.00 0.00 31.29 30.97 3dp2 h VAL 68 CO -0.17 0.28 -0.10 -0.07 -1.23 0.00 0.00 177.57 176.27 3dp2 h LEU 69 N 0.04 0.00 -0.19 4.19 3.38 -1.39 -0.99 115.31 120.35 3dp2 h LEU 69 Ca 0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3dp2 h LEU 69 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3dp2 h LEU 69 CO 0.04 0.10 -0.39 0.40 0.09 0.00 0.00 178.44 178.68 3dp2 h ILE 70 N 0.00 1.33 -0.56 1.22 2.04 -0.64 -1.99 117.51 118.91 3dp2 h ILE 70 Ca -0.00 -1.62 -0.06 0.00 1.00 0.00 0.00 64.86 64.18 3dp2 h ILE 70 Cb 0.89 1.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.84 3dp2 h ILE 70 CO 0.01 0.50 0.12 0.58 0.00 0.00 0.00 178.15 179.36 3dp2 h VAL 71 N 0.25 1.23 -0.63 1.67 2.07 -1.20 -1.63 116.25 118.02 3dp2 h VAL 71 Ca 0.00 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 3dp2 h VAL 71 Cb 0.99 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 3dp2 h VAL 71 CO 0.09 0.32 0.11 -0.08 0.02 0.00 0.00 177.57 178.03 3dp2 h GLU 72 N 0.83 1.01 -0.09 1.57 4.57 -1.08 -0.63 114.58 120.77 3dp2 h GLU 72 Ca 0.18 -0.25 -0.10 0.00 -1.18 0.00 0.00 59.36 58.00 3dp2 h GLU 72 Cb 0.32 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 3dp2 h GLU 72 CO 0.00 0.93 -0.42 0.78 -1.18 0.00 0.00 179.01 179.12 3dp2 h GLY 73 N 1.04 0.21 1.47 1.92 0.00 -0.89 -0.59 103.07 106.23 3dp2 h GLY 73 Ca 0.20 -0.20 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 3dp2 h GLY 73 CO 0.01 0.18 -0.59 -0.33 0.00 0.00 0.00 176.54 175.80 3dp2 h MET 74 N 0.16 0.55 -0.06 4.80 2.86 -0.83 -2.27 114.93 120.14 3dp2 h MET 74 Ca 0.01 -0.37 -0.00 0.00 -2.06 0.00 0.00 59.70 57.28 3dp2 h MET 74 Cb 0.81 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 3dp2 h MET 74 CO 0.06 0.98 0.02 0.00 1.06 0.00 0.00 176.91 179.03 3dp2 h ALA 75 N 0.94 0.07 -0.91 6.32 0.00 -0.69 -0.54 119.26 124.45 3dp2 h ALA 75 Ca -0.00 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3dp2 h ALA 75 Cb 1.15 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 3dp2 h ALA 75 CO 0.11 -0.31 0.60 1.96 0.00 0.00 0.00 179.25 181.61 3dp2 h GLN 76 N -0.12 1.17 -0.47 0.00 4.20 -1.09 0.27 115.11 119.07 3dp2 h GLN 76 Ca 0.02 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 3dp2 h GLN 76 Cb 0.22 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 3dp2 h GLN 76 CO -0.00 0.77 0.02 0.77 -0.67 0.00 0.00 178.83 179.72 3dp2 h SER 77 N 1.21 0.79 -0.61 1.46 0.02 -1.23 -1.34 113.55 113.85 3dp2 h SER 77 Ca 0.34 -0.30 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 3dp2 h SER 77 Cb -0.10 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.20 3dp2 h SER 77 CO -0.08 0.89 0.11 1.23 -1.14 0.00 0.00 176.83 177.84 3dp2 h GLY 78 N 0.67 1.08 1.59 -3.77 0.00 -0.17 -0.84 103.07 101.63 3dp2 h GLY 78 Ca 0.13 -0.71 -0.07 0.00 0.00 0.00 0.00 47.33 46.69 3dp2 h GLY 78 CO 0.02 0.66 -0.11 -1.33 0.00 0.00 0.00 176.54 175.78 3dp2 h GLY 79 N 0.91 0.54 1.17 4.60 0.00 -0.36 0.53 103.07 110.46 3dp2 h GLY 79 Ca 0.19 -0.36 -0.13 0.00 0.00 0.00 0.00 47.33 47.02 3dp2 h GLY 79 CO 0.01 0.34 -0.21 -2.75 0.00 0.00 0.00 176.54 173.93 3dp2 h PHE 80 N 0.47 1.08 0.12 5.60 3.57 -0.85 -0.08 116.94 126.85 3dp2 h PHE 80 Ca 0.09 -0.26 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 3dp2 h PHE 80 Cb 0.47 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.96 3dp2 h PHE 80 CO 0.02 1.06 -0.06 1.25 -2.23 0.00 0.00 178.31 178.35 3dp2 h LEU 81 N 0.82 -0.13 -0.43 0.59 5.85 -0.58 -1.55 115.31 119.88 3dp2 h LEU 81 Ca 0.11 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.69 3dp2 h LEU 81 Cb 0.78 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 3dp2 h LEU 81 CO 0.06 0.07 0.28 0.00 -0.34 0.00 0.00 178.44 178.51 3dp2 h ALA 82 N 0.53 0.54 0.62 1.25 0.00 -0.80 -1.40 119.26 120.01 3dp2 h ALA 82 Ca -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3dp2 h ALA 82 Cb 0.27 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.91 3dp2 h ALA 82 CO 0.03 -0.02 -0.30 0.35 0.00 0.00 0.00 179.25 179.30 3dp2 h PHE 83 N 0.56 -0.78 0.00 0.00 3.57 -0.96 -3.08 116.94 116.25 3dp2 h PHE 83 Ca 0.16 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 3dp2 h PHE 83 Cb -0.05 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 3dp2 h PHE 83 CO -0.05 -0.45 -0.08 1.79 -2.23 0.00 0.00 178.31 177.29 3dp2 h THR 84 N -0.97 1.03 -0.72 4.41 1.35 -1.28 -1.04 112.91 115.68 3dp2 h THR 84 Ca -0.09 -0.29 0.03 0.00 -0.55 0.00 0.00 66.41 65.51 3dp2 h THR 84 Cb 0.68 1.16 -0.04 0.00 -1.73 0.00 0.00 68.15 68.22 3dp2 h THR 84 CO 0.14 0.08 0.45 0.28 -0.25 0.00 0.00 175.52 176.23 3dp2 h SER 85 N 0.00 0.75 0.19 5.36 0.02 -1.18 1.09 113.55 119.78 3dp2 h SER 85 Ca -0.00 -0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.63 3dp2 h SER 85 Cb 0.15 -0.16 0.02 0.00 0.14 0.00 0.00 62.40 62.55 3dp2 h SER 85 CO 0.01 0.52 -1.49 -0.07 -1.14 0.00 0.00 176.83 174.65 3dp2 h LEU 86 N 0.89 0.64 -0.97 5.07 3.38 -1.34 -3.41 115.31 119.57 3dp2 h LEU 86 Ca 0.29 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.34 3dp2 h LEU 86 Cb 0.02 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3dp2 h LEU 86 CO -0.11 1.69 -0.00 0.79 0.09 0.00 0.00 178.44 180.90 3dp2 n TRP 87 N -3.76 0.00 -4.75 1.13 8.01 -0.45 -5.12 117.44 112.50 3dp2 n TRP 87 Ca -0.21 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.98 3dp2 n TRP 87 Cb 1.02 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.32 3dp2 n TRP 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dp2 n GLY 88 N 0.11 0.36 3.55 6.99 0.00 0.38 -4.08 105.19 112.50 3dp2 n GLY 88 Ca 0.00 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 3dp2 n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3dp2 s PHE 89 N 0.00 2.73 -0.39 1.61 5.36 -1.26 -4.35 117.98 121.68 3dp2 s PHE 89 Ca 0.00 -1.26 0.02 0.00 -0.96 0.00 0.00 56.93 54.74 3dp2 s PHE 89 Cb 0.00 -4.66 0.11 0.00 -0.34 0.00 0.00 43.02 38.13 3dp2 s PHE 89 CO 0.00 -1.82 0.15 0.34 -1.46 0.00 0.00 175.22 172.42 3dp2 s ASP 90 N 4.46 4.21 0.20 6.13 -1.08 -1.26 -4.99 116.67 124.35 3dp2 s ASP 90 Ca 0.48 -2.28 -0.11 0.00 -0.52 0.00 0.00 52.55 50.11 3dp2 s ASP 90 Cb 0.01 -1.28 0.16 0.00 -1.46 0.00 0.00 42.92 40.35 3dp2 s ASP 90 CO -0.03 -0.34 1.85 -0.65 0.52 0.00 0.00 175.17 176.53 3dp2 h PRO 91 N 7.33 0.82 -0.16 4.34 0.11 -1.91 -0.88 132.00 141.65 3dp2 h PRO 91 Ca -0.07 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.02 3dp2 h PRO 91 Cb 0.97 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 3dp2 h PRO 91 CO 0.53 0.54 0.02 0.93 -0.21 0.00 0.00 178.00 179.81 3dp2 h GLU 92 N 0.85 0.08 -0.14 1.05 5.08 -1.94 -2.28 114.58 117.28 3dp2 h GLU 92 Ca 0.26 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.50 3dp2 h GLU 92 Cb -0.02 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3dp2 h GLU 92 CO -0.09 0.06 -0.43 0.82 -1.00 0.00 0.00 179.01 178.36 3dp2 h ILE 93 N 0.09 1.32 -0.75 3.13 1.08 -1.95 -3.00 117.51 117.42 3dp2 h ILE 93 Ca 0.07 -1.60 0.13 0.00 -0.39 0.00 0.00 64.86 63.08 3dp2 h ILE 93 Cb 0.07 1.69 -0.05 0.00 -3.07 0.00 0.00 36.82 35.46 3dp2 h ILE 93 CO -0.11 0.48 0.50 0.00 -0.69 0.00 0.00 178.15 178.34 3dp2 h ALA 94 N 1.27 2.01 0.00 1.87 0.00 -0.59 0.22 119.26 124.05 3dp2 h ALA 94 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dp2 h ALA 94 Cb 0.88 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3dp2 h ALA 94 CO 0.07 -0.20 0.00 0.87 0.00 0.00 0.00 179.25 179.99 3dp2 h LYS 95 N 0.49 0.00 -0.06 0.00 1.57 -1.33 -3.00 116.57 114.24 3dp2 h LYS 95 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 3dp2 h LYS 95 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 3dp2 h LYS 95 CO -0.12 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.01 3dp2 n THR 96 N -2.72 0.05 -4.23 -0.16 -2.24 0.05 -4.78 114.28 100.24 3dp2 n THR 96 Ca 0.02 -0.49 -0.19 0.00 -2.27 0.00 0.00 64.05 61.12 3dp2 n THR 96 Cb 0.32 1.32 -0.12 0.00 -2.10 0.00 0.00 70.33 69.75 3dp2 n THR 96 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dp2 s LYS 97 N -1.95 0.99 -0.01 -0.78 -0.14 -1.13 -0.27 119.74 116.44 3dp2 s LYS 97 Ca 0.30 -1.16 0.01 0.00 -1.36 0.00 0.00 55.97 53.76 3dp2 s LYS 97 Cb 0.20 -0.97 0.01 0.00 -1.68 0.00 0.00 37.83 35.39 3dp2 s LYS 97 CO 0.31 0.20 -0.02 -1.50 -0.76 0.00 0.00 175.35 173.57 3dp2 s ILE 98 N -1.77 0.25 -0.38 2.17 1.10 0.81 -4.66 121.20 118.72 3dp2 s ILE 98 Ca 0.06 -0.07 -0.05 0.00 -0.51 0.00 0.00 60.65 60.08 3dp2 s ILE 98 Cb -0.07 -0.26 0.08 0.00 0.15 0.00 0.00 42.46 42.37 3dp2 s ILE 98 CO 0.03 0.10 0.17 -0.69 -2.11 0.00 0.00 174.94 172.44 3dp2 s VAL 99 N 0.30 3.54 0.15 4.00 1.01 -1.26 -0.93 120.40 127.21 3dp2 s VAL 99 Ca -0.03 -1.63 0.08 0.00 0.00 0.00 0.00 61.98 60.40 3dp2 s VAL 99 Cb -0.06 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 3dp2 s VAL 99 CO -0.01 -0.46 -0.07 -0.72 0.00 0.00 0.00 175.10 173.84 3dp2 s TYR 100 N 1.27 2.74 -0.06 5.22 1.13 -1.16 -4.95 117.35 121.55 3dp2 s TYR 100 Ca 0.03 -0.17 -0.16 0.00 -1.41 0.00 0.00 57.07 55.36 3dp2 s TYR 100 Cb -0.22 -1.37 -0.05 0.00 -1.10 0.00 0.00 41.96 39.22 3dp2 s TYR 100 CO -0.01 0.48 0.42 -0.06 -2.51 0.00 0.00 175.55 173.87 3dp2 s PHE 101 N -1.51 3.63 -0.20 -3.49 0.40 -1.26 -2.08 117.98 113.47 3dp2 s PHE 101 Ca 0.24 0.92 -0.16 0.00 -0.60 0.00 0.00 56.93 57.34 3dp2 s PHE 101 Cb -0.10 -2.39 -0.20 0.00 0.51 0.00 0.00 43.02 40.84 3dp2 s PHE 101 CO 0.16 0.43 0.16 -1.33 0.70 0.00 0.00 175.22 175.34 3dp2 n MET 102 N 2.65 0.63 -4.16 0.44 2.81 -0.34 -4.99 117.12 114.15 3dp2 n MET 102 Ca -0.11 0.43 -0.10 0.00 -1.81 0.00 0.00 57.70 56.11 3dp2 n MET 102 Cb 0.52 -1.70 -0.10 0.00 -0.71 0.00 0.00 33.22 31.23 3dp2 n MET 102 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3dp2 s THR 103 N -2.44 0.17 -0.12 2.03 -4.23 -1.19 -5.02 115.64 104.85 3dp2 s THR 103 Ca -0.29 -1.92 -0.08 0.00 -1.18 0.00 0.00 61.69 58.22 3dp2 s THR 103 Cb 0.07 -2.08 0.04 0.00 1.34 0.00 0.00 72.50 71.88 3dp2 s THR 103 CO 0.63 -0.44 0.31 -0.63 -0.54 0.00 0.00 174.62 173.94 3dp2 s ILE 104 N -4.00 -0.02 0.26 2.99 1.01 -1.26 -1.88 121.20 118.30 3dp2 s ILE 104 Ca 0.25 0.08 -0.08 0.00 0.00 0.00 0.00 60.65 60.90 3dp2 s ILE 104 Cb 0.07 -0.46 -0.01 0.00 0.01 0.00 0.00 42.46 42.08 3dp2 s ILE 104 CO 0.03 0.03 0.40 -0.62 0.00 0.00 0.00 174.94 174.78 3dp2 s ASP 105 N 0.90 0.17 -1.56 3.58 3.68 0.13 -4.94 116.67 118.63 3dp2 s ASP 105 Ca -0.06 -1.15 -0.11 0.00 2.13 0.00 0.00 52.55 53.36 3dp2 s ASP 105 Cb -0.07 0.56 0.09 0.00 -1.45 0.00 0.00 42.92 42.05 3dp2 s ASP 105 CO -0.06 -1.11 0.71 0.29 0.13 0.00 0.00 175.17 175.13 3dp2 n LYS 106 N -0.40 -3.81 -3.20 4.34 4.76 -1.26 -0.61 118.16 117.99 3dp2 n LYS 106 Ca -0.00 0.44 -0.39 0.00 -2.87 0.00 0.00 58.31 55.49 3dp2 n LYS 106 Cb 0.63 -5.02 -0.05 0.00 -1.84 0.00 0.00 35.03 28.75 3dp2 n LYS 106 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3dp2 s VAL 107 N -3.51 5.07 -0.02 -0.18 1.01 -1.26 -3.74 120.40 117.77 3dp2 s VAL 107 Ca 0.47 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.64 3dp2 s VAL 107 Cb -0.25 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.23 3dp2 s VAL 107 CO 0.89 0.33 0.02 -0.54 0.00 0.00 0.00 175.10 175.80 3dp2 s LYS 108 N 0.46 -0.01 -0.20 2.72 1.02 -0.58 -4.98 119.74 118.17 3dp2 s LYS 108 Ca 0.31 0.13 -0.05 0.00 0.02 0.00 0.00 55.97 56.38 3dp2 s LYS 108 Cb -0.17 -0.20 -0.03 0.00 -0.52 0.00 0.00 37.83 36.92 3dp2 s LYS 108 CO 0.15 -0.12 0.00 -0.06 -0.92 0.00 0.00 175.35 174.40 3dp2 s PHE 109 N 0.80 3.05 -0.12 3.18 0.40 -1.26 -1.69 117.98 122.33 3dp2 s PHE 109 Ca -0.07 -0.42 -0.00 0.00 -0.60 0.00 0.00 56.93 55.84 3dp2 s PHE 109 Cb -0.10 -2.08 -0.07 0.00 0.51 0.00 0.00 43.02 41.28 3dp2 s PHE 109 CO -0.02 -0.21 -0.11 0.54 0.70 0.00 0.00 175.22 176.12 3dp2 n ARG 110 N 4.18 0.29 -4.52 0.44 1.74 0.04 -4.99 116.66 113.83 3dp2 n ARG 110 Ca -0.17 0.08 -0.22 0.00 -0.77 0.00 0.00 57.85 56.76 3dp2 n ARG 110 Cb 0.52 -1.19 -0.16 0.00 -1.02 0.00 0.00 32.46 30.62 3dp2 n ARG 110 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dp2 s ILE 111 N -2.23 0.98 0.22 0.55 1.01 -1.05 -5.04 121.20 115.64 3dp2 s ILE 111 Ca -0.16 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 59.73 3dp2 s ILE 111 Cb 0.04 -0.87 -0.09 0.00 0.01 0.00 0.00 42.46 41.56 3dp2 s ILE 111 CO 0.26 0.30 1.25 -2.16 0.00 0.00 0.00 174.94 174.59 3dp2 s PRO 112 N 0.22 4.44 -0.13 2.79 0.04 -1.26 -4.79 135.00 136.31 3dp2 s PRO 112 Ca -0.05 1.99 -0.12 0.00 0.04 0.00 0.00 61.00 62.86 3dp2 s PRO 112 Cb -0.10 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.20 3dp2 s PRO 112 CO 0.01 -0.14 0.26 0.08 0.04 0.00 0.00 177.00 177.25 3dp2 s VAL 113 N -0.24 5.31 0.22 -0.36 1.01 -1.26 -5.03 120.40 120.06 3dp2 s VAL 113 Ca 0.53 0.49 0.01 0.00 0.00 0.00 0.00 61.98 63.01 3dp2 s VAL 113 Cb -0.35 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 3dp2 s VAL 113 CO 0.40 0.47 0.09 0.42 0.00 0.00 0.00 175.10 176.47 3dp2 s THR 114 N -0.09 0.42 0.11 3.92 -4.23 -1.26 -0.85 115.64 113.66 3dp2 s THR 114 Ca 0.16 -1.99 -0.36 0.00 -1.18 0.00 0.00 61.69 58.33 3dp2 s THR 114 Cb -0.13 -2.48 -0.16 0.00 1.34 0.00 0.00 72.50 71.08 3dp2 s THR 114 CO 0.05 -0.11 1.42 -2.65 -0.54 0.00 0.00 174.62 172.79 3dp2 n PRO 115 N -0.36 1.50 0.00 3.99 -0.02 -1.26 -1.56 135.00 137.29 3dp2 n PRO 115 Ca -0.01 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3dp2 n PRO 115 Cb 0.65 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3dp2 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dp2 n GLY 116 N 2.84 2.46 3.80 -1.23 0.00 0.23 -4.92 105.19 108.37 3dp2 n GLY 116 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3dp2 n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dp2 s ASP 117 N -1.64 7.15 -0.47 1.61 -0.00 -0.60 -4.89 116.67 117.83 3dp2 s ASP 117 Ca 0.00 1.58 -0.12 0.00 -0.00 0.00 0.00 52.55 54.01 3dp2 s ASP 117 Cb 0.00 -2.48 0.10 0.00 -0.00 0.00 0.00 42.92 40.54 3dp2 s ASP 117 CO 0.00 -0.03 0.37 -0.60 -0.00 0.00 0.00 175.17 174.91 3dp2 s ARG 118 N -2.08 2.73 -0.70 8.23 3.52 -1.26 -0.61 118.95 128.78 3dp2 s ARG 118 Ca 0.47 -1.58 -0.27 0.00 -0.13 0.00 0.00 55.73 54.22 3dp2 s ARG 118 Cb -0.17 -4.01 0.03 0.00 -1.56 0.00 0.00 34.95 29.24 3dp2 s ARG 118 CO 0.22 -1.12 1.26 -1.17 -0.81 0.00 0.00 175.30 173.67 3dp2 s LEU 119 N 1.49 3.24 -0.09 -0.88 2.96 0.07 -4.44 118.68 121.03 3dp2 s LEU 119 Ca 0.04 -0.31 -0.19 0.00 -0.22 0.00 0.00 54.13 53.45 3dp2 s LEU 119 Cb -0.26 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.67 3dp2 s LEU 119 CO 0.02 -1.75 0.51 -0.70 -1.32 0.00 0.00 176.35 173.12 3dp2 s GLU 120 N 5.53 4.32 -0.19 1.98 2.12 0.43 -0.85 118.70 132.03 3dp2 s GLU 120 Ca 0.37 0.54 -0.07 0.00 0.36 0.00 0.00 54.97 56.17 3dp2 s GLU 120 Cb -0.08 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 3dp2 s GLU 120 CO 0.18 0.22 0.05 0.71 -0.54 0.00 0.00 175.26 175.88 3dp2 s TYR 121 N 0.39 3.19 -0.35 5.30 1.51 0.57 0.35 117.35 128.29 3dp2 s TYR 121 Ca 0.28 -0.06 0.03 0.00 -1.01 0.00 0.00 57.07 56.31 3dp2 s TYR 121 Cb -0.16 -2.09 0.10 0.00 -0.11 0.00 0.00 41.96 39.70 3dp2 s TYR 121 CO 0.12 0.04 0.07 -1.01 -1.11 0.00 0.00 175.55 173.66 3dp2 s HIS 122 N 0.60 3.39 -0.01 2.71 3.76 0.33 -1.56 115.29 124.50 3dp2 s HIS 122 Ca 0.02 -2.82 0.07 0.00 -0.15 0.00 0.00 55.06 52.18 3dp2 s HIS 122 Cb -0.13 -2.72 -0.02 0.00 1.11 0.00 0.00 32.58 30.81 3dp2 s HIS 122 CO 0.02 -0.92 -0.21 -0.51 -0.85 0.00 0.00 174.74 172.26 3dp2 s LEU 123 N 0.92 2.38 0.13 0.89 2.01 -0.97 -0.91 118.68 123.12 3dp2 s LEU 123 Ca 0.11 -0.39 0.06 0.00 0.01 0.00 0.00 54.13 53.93 3dp2 s LEU 123 Cb -0.19 -1.43 -0.04 0.00 0.01 0.00 0.00 46.19 44.53 3dp2 s LEU 123 CO -0.10 0.31 -0.14 -1.83 1.01 0.00 0.00 176.35 175.61 3dp2 s GLU 124 N -0.86 1.05 -0.41 1.70 -1.05 0.44 -1.20 118.70 118.37 3dp2 s GLU 124 Ca 0.11 -1.29 -0.28 0.00 -0.15 0.00 0.00 54.97 53.36 3dp2 s GLU 124 Cb -0.10 -0.89 0.02 0.00 -0.44 0.00 0.00 34.13 32.72 3dp2 s GLU 124 CO 0.01 0.16 1.07 0.08 0.95 0.00 0.00 175.26 177.53 3dp2 s VAL 125 N -2.35 4.38 0.10 1.83 1.01 0.45 -1.39 120.40 124.44 3dp2 s VAL 125 Ca 0.11 1.33 -0.13 0.00 0.00 0.00 0.00 61.98 63.29 3dp2 s VAL 125 Cb -0.04 -4.49 -0.16 0.00 0.00 0.00 0.00 36.38 31.69 3dp2 s VAL 125 CO 0.03 -0.76 1.30 -0.07 0.00 0.00 0.00 175.10 175.60 3dp2 h LEU 126 N 10.64 0.95 -7.00 3.92 3.38 -0.23 -3.48 115.31 123.49 3dp2 h LEU 126 Ca -0.22 -0.63 0.28 0.00 0.09 0.00 0.00 57.88 57.40 3dp2 h LEU 126 Cb 1.06 -0.28 -0.21 0.00 0.09 0.00 0.00 40.66 41.33 3dp2 h LEU 126 CO 1.07 1.43 0.89 -1.59 0.09 0.00 0.00 178.44 180.34 3dp2 s LYS 127 N -3.72 0.17 -0.10 1.13 -2.85 -1.03 -5.02 119.74 108.32 3dp2 s LYS 127 Ca -0.10 -0.05 -0.19 0.00 -1.00 0.00 0.00 55.97 54.63 3dp2 s LYS 127 Cb 0.08 0.08 0.04 0.00 -2.06 0.00 0.00 37.83 35.97 3dp2 s LYS 127 CO 0.91 -0.07 0.46 -3.38 0.10 0.00 0.00 175.35 173.37 3dp2 s HIS 128 N -2.07 -0.43 -0.20 1.78 -3.43 -1.26 -0.15 115.29 109.53 3dp2 s HIS 128 Ca 0.10 0.90 -0.04 0.00 -0.80 0.00 0.00 55.06 55.22 3dp2 s HIS 128 Cb -0.01 0.20 0.10 0.00 -1.43 0.00 0.00 32.58 31.44 3dp2 s HIS 128 CO -0.04 -0.37 0.31 0.21 -2.00 0.00 0.00 174.74 172.85 3dp2 s LYS 129 N -0.58 0.25 7.53 -0.38 2.20 0.07 -5.01 119.74 123.82 3dp2 s LYS 129 Ca -0.07 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 3dp2 s LYS 129 Cb -0.03 -0.55 0.00 0.00 -1.51 0.00 0.00 37.83 35.73 3dp2 s LYS 129 CO 0.04 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 174.90 3dp2 n GLY 130 N 5.35 2.84 0.84 5.54 0.00 -1.26 -1.76 105.19 116.74 3dp2 n GLY 130 Ca -0.05 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.81 3dp2 n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3dp2 n MET 131 N 13.52 2.06 -3.68 1.61 2.81 -1.26 -4.80 117.12 127.37 3dp2 n MET 131 Ca 0.00 -1.64 -0.38 0.00 -1.81 0.00 0.00 57.70 53.87 3dp2 n MET 131 Cb 0.00 -1.37 -0.12 0.00 -0.71 0.00 0.00 33.22 31.02 3dp2 n MET 131 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3dp2 s ILE 132 N -1.42 4.54 -0.04 2.02 1.01 -0.72 -0.81 121.20 125.77 3dp2 s ILE 132 Ca 0.31 -0.32 0.06 0.00 0.00 0.00 0.00 60.65 60.70 3dp2 s ILE 132 Cb 0.17 -3.25 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 3dp2 s ILE 132 CO 0.22 0.16 -0.22 0.26 0.00 0.00 0.00 174.94 175.35 3dp2 s TRP 133 N 1.62 2.14 -0.22 3.97 0.52 -0.33 -0.75 118.94 125.88 3dp2 s TRP 133 Ca 0.05 -0.57 -0.00 0.00 0.02 0.00 0.00 56.10 55.60 3dp2 s TRP 133 Cb -0.16 -1.40 0.02 0.00 -1.15 0.00 0.00 33.47 30.78 3dp2 s TRP 133 CO 0.06 -0.15 -0.12 -0.65 0.02 0.00 0.00 176.95 176.10 3dp2 s GLN 134 N -0.22 2.87 0.25 4.98 -0.21 0.79 0.01 119.66 128.13 3dp2 s GLN 134 Ca -0.00 -0.93 0.10 0.00 0.02 0.00 0.00 55.36 54.55 3dp2 s GLN 134 Cb -0.12 -2.80 -0.04 0.00 1.00 0.00 0.00 33.01 31.04 3dp2 s GLN 134 CO 0.02 -0.33 -0.09 0.14 -2.12 0.00 0.00 175.29 172.91 3dp2 s VAL 135 N 1.29 3.06 0.16 1.09 -7.23 0.04 0.54 120.40 119.35 3dp2 s VAL 135 Ca 0.01 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.00 3dp2 s VAL 135 Cb -0.15 -2.59 0.04 0.00 0.56 0.00 0.00 36.38 34.24 3dp2 s VAL 135 CO -0.08 -0.31 0.50 -0.83 -0.31 0.00 0.00 175.10 174.08 3dp2 s GLY 136 N -3.37 -0.33 0.00 2.32 0.00 -0.49 -0.84 107.32 104.60 3dp2 s GLY 136 Ca 0.29 0.07 0.00 0.00 0.00 0.00 0.00 44.72 45.08 3dp2 s GLY 136 CO 0.17 -0.14 0.00 0.61 0.00 0.00 0.00 173.10 173.74 3dp2 n GLY 137 N -0.31 -0.54 3.22 0.20 0.00 -0.88 -0.42 105.19 106.46 3dp2 n GLY 137 Ca -0.15 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 3dp2 n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dp2 s THR 138 N -4.00 0.00 -0.11 2.61 -4.23 -0.09 -2.19 115.64 107.62 3dp2 s THR 138 Ca 0.00 -1.98 0.02 0.00 -1.18 0.00 0.00 61.69 58.55 3dp2 s THR 138 Cb 0.00 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.34 3dp2 s THR 138 CO 0.00 0.00 -0.18 0.00 -0.54 0.00 0.00 174.62 173.90 3dp2 s ALA 139 N -4.11 2.44 0.06 3.99 0.00 0.01 -0.51 121.76 123.64 3dp2 s ALA 139 Ca 0.38 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.47 3dp2 s ALA 139 Cb 0.06 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 3dp2 s ALA 139 CO 0.13 0.29 -0.16 -0.65 0.00 0.00 0.00 175.76 175.37 3dp2 s GLN 140 N 0.26 0.96 -0.08 0.00 -0.21 0.15 -0.64 119.66 120.10 3dp2 s GLN 140 Ca -0.12 -0.90 -0.01 0.00 0.02 0.00 0.00 55.36 54.34 3dp2 s GLN 140 Cb -0.16 -1.01 0.03 0.00 1.00 0.00 0.00 33.01 32.86 3dp2 s GLN 140 CO 0.06 0.24 -0.02 0.08 -2.12 0.00 0.00 175.29 173.54 3dp2 s VAL 141 N -1.04 0.54 -1.52 1.09 1.01 -0.80 -0.43 120.40 119.25 3dp2 s VAL 141 Ca 0.01 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.88 3dp2 s VAL 141 Cb -0.09 -0.66 0.08 0.00 0.00 0.00 0.00 36.38 35.71 3dp2 s VAL 141 CO 0.02 0.28 0.96 0.47 0.00 0.00 0.00 175.10 176.83 3dp2 n ASP 142 N 5.03 -4.46 0.00 3.32 8.00 -1.26 -1.87 116.55 125.31 3dp2 n ASP 142 Ca -0.09 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.62 3dp2 n ASP 142 Cb 0.50 -3.87 0.00 0.00 -0.02 0.00 0.00 41.12 37.73 3dp2 n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dp2 n GLY 143 N -1.69 2.16 3.90 0.44 0.00 -1.26 -5.03 105.19 103.71 3dp2 n GLY 143 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3dp2 n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dp2 s LYS 144 N -0.08 3.35 -0.31 1.61 1.02 -0.78 -5.06 119.74 119.49 3dp2 s LYS 144 Ca 0.00 -0.47 -0.28 0.00 0.02 0.00 0.00 55.97 55.24 3dp2 s LYS 144 Cb 0.00 -3.00 0.01 0.00 -0.52 0.00 0.00 37.83 34.33 3dp2 s LYS 144 CO 0.00 0.61 1.01 0.08 -0.92 0.00 0.00 175.35 176.13 3dp2 s VAL 145 N -1.48 4.58 -0.06 3.17 1.01 -1.26 -1.91 120.40 124.45 3dp2 s VAL 145 Ca 0.34 1.64 0.22 0.00 0.00 0.00 0.00 61.98 64.17 3dp2 s VAL 145 Cb -0.13 -4.36 -0.33 0.00 0.00 0.00 0.00 36.38 31.56 3dp2 s VAL 145 CO 0.26 -0.42 0.49 1.33 0.00 0.00 0.00 175.10 176.76 3dp2 n VAL 146 N 5.77 0.00 -3.51 2.92 0.24 0.18 -4.49 118.33 119.44 3dp2 n VAL 146 Ca 0.10 -0.48 -0.10 0.00 -2.04 0.00 0.00 64.34 61.83 3dp2 n VAL 146 Cb 0.47 0.04 -0.02 0.00 -1.47 0.00 0.00 33.84 32.86 3dp2 n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dp2 s ALA 147 N -3.48 -1.64 0.02 2.33 0.00 -1.12 -0.78 121.76 117.09 3dp2 s ALA 147 Ca -0.07 0.55 -0.13 0.00 0.00 0.00 0.00 51.96 52.31 3dp2 s ALA 147 Cb 0.14 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.99 3dp2 s ALA 147 CO 0.90 -0.79 0.28 -1.83 0.00 0.00 0.00 175.76 174.32 3dp2 s GLU 148 N -3.53 0.73 -0.09 0.00 -1.05 -0.68 -0.81 118.70 113.26 3dp2 s GLU 148 Ca 0.04 -0.41 -0.32 0.00 -0.15 0.00 0.00 54.97 54.13 3dp2 s GLU 148 Cb -0.02 0.32 0.12 0.00 -0.44 0.00 0.00 34.13 34.11 3dp2 s GLU 148 CO -0.09 -0.22 1.10 0.00 0.95 0.00 0.00 175.26 177.00 3dp2 s ALA 149 N -2.08 -1.98 -0.04 -0.84 0.00 -0.93 -1.52 121.76 114.36 3dp2 s ALA 149 Ca -0.08 1.21 0.04 0.00 0.00 0.00 0.00 51.96 53.13 3dp2 s ALA 149 Cb -0.03 0.16 -0.00 0.00 0.00 0.00 0.00 23.12 23.25 3dp2 s ALA 149 CO -0.01 -0.71 -0.16 -1.21 0.00 0.00 0.00 175.76 173.68 3dp2 s GLU 150 N -2.70 1.67 0.05 0.00 2.02 0.22 -2.08 118.70 117.88 3dp2 s GLU 150 Ca 0.09 -0.56 0.03 0.00 0.02 0.00 0.00 54.97 54.54 3dp2 s GLU 150 Cb -0.00 -1.46 -0.02 0.00 0.10 0.00 0.00 34.13 32.74 3dp2 s GLU 150 CO -0.05 0.22 -0.09 -0.51 0.02 0.00 0.00 175.26 174.84 3dp2 s LEU 151 N 0.08 2.25 -0.12 1.80 1.02 -0.02 0.23 118.68 123.92 3dp2 s LEU 151 Ca -0.04 -0.54 0.02 0.00 0.02 0.00 0.00 54.13 53.59 3dp2 s LEU 151 Cb -0.11 -0.25 0.01 0.00 0.02 0.00 0.00 46.19 45.86 3dp2 s LEU 151 CO 0.02 -0.16 -0.19 -0.75 0.02 0.00 0.00 176.35 175.29 3dp2 s LYS 152 N -1.53 2.64 0.29 1.70 2.20 -0.79 -0.78 119.74 123.47 3dp2 s LYS 152 Ca -0.08 -0.72 0.11 0.00 -0.36 0.00 0.00 55.97 54.92 3dp2 s LYS 152 Cb -0.10 -2.14 -0.05 0.00 -1.51 0.00 0.00 37.83 34.03 3dp2 s LYS 152 CO 0.01 0.00 -0.16 0.00 -0.36 0.00 0.00 175.35 174.84 3dp2 s ALA 153 N 0.79 2.73 -0.06 3.13 0.00 0.10 -1.19 121.76 127.25 3dp2 s ALA 153 Ca -0.09 -1.92 0.01 0.00 0.00 0.00 0.00 51.96 49.95 3dp2 s ALA 153 Cb -0.16 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.82 3dp2 s ALA 153 CO 0.00 0.19 -0.06 1.41 0.00 0.00 0.00 175.76 177.31 3dp2 s MET 154 N -3.56 1.06 -0.22 0.00 1.75 -0.88 -1.19 119.30 116.26 3dp2 s MET 154 Ca 0.30 -0.15 -0.19 0.00 -1.25 0.00 0.00 55.69 54.40 3dp2 s MET 154 Cb -0.02 -1.08 -0.03 0.00 2.84 0.00 0.00 34.83 36.54 3dp2 s MET 154 CO 0.15 -0.12 0.57 0.42 -0.65 0.00 0.00 175.02 175.38 3dp2 s ILE 155 N 1.16 5.06 0.25 10.11 1.01 0.01 -2.96 121.20 135.84 3dp2 s ILE 155 Ca -0.07 1.04 0.02 0.00 0.00 0.00 0.00 60.65 61.64 3dp2 s ILE 155 Cb -0.14 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 3dp2 s ILE 155 CO -0.01 0.12 0.06 0.00 0.00 0.00 0.00 174.94 175.11 3dp2 s ALA 156 N 1.94 1.76 0.17 9.38 0.00 -0.10 -4.80 121.76 130.11 3dp2 s ALA 156 Ca 0.25 -1.83 -0.30 0.00 0.00 0.00 0.00 51.96 50.08 3dp2 s ALA 156 Cb -0.16 0.83 -0.08 0.00 0.00 0.00 0.00 23.12 23.72 3dp2 s ALA 156 CO 0.10 -0.38 1.18 -1.21 0.00 0.00 0.00 175.76 175.44 3dp2 s GLU 157 N -3.97 4.50 0.64 0.00 0.41 -1.26 -0.14 118.70 118.89 3dp2 s GLU 157 Ca 0.34 1.83 -0.17 0.00 -0.41 0.00 0.00 54.97 56.57 3dp2 s GLU 157 Cb 0.07 -3.26 -0.01 0.00 -1.78 0.00 0.00 34.13 29.16 3dp2 s GLU 157 CO 0.12 -0.07 1.17 0.50 -0.49 0.00 0.00 175.26 176.48 3dp2 s ARG 158 N -0.14 2.75 0.00 1.61 6.06 0.62 -4.70 118.95 125.15 3dp2 s ARG 158 Ca 0.53 1.66 0.00 0.00 -2.50 0.00 0.00 55.73 55.42 3dp2 s ARG 158 Cb -0.32 -1.92 0.00 0.00 0.06 0.00 0.00 34.95 32.77 3dp2 s ARG 158 CO 0.36 -1.34 0.00 0.39 -2.50 0.00 0.00 175.30 172.20