#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ad9 s ILE 2 N 0.00 3.92 -0.18 3.84 1.09 -1.26 -4.24 121.20 124.37 1ad9 s ILE 2 Ca 0.00 1.93 -0.30 0.00 -1.10 0.00 0.00 60.65 61.18 1ad9 s ILE 2 Cb 0.00 -4.22 0.13 0.00 -1.06 0.00 0.00 42.46 37.31 1ad9 s ILE 2 CO 0.00 0.45 1.02 0.00 -0.10 0.00 0.00 174.94 176.32 1ad9 s GLN 3 N -1.27 0.55 -0.23 2.79 -2.07 -0.96 -5.00 119.66 113.47 1ad9 s GLN 3 Ca 0.42 0.18 -0.02 0.00 -1.82 0.00 0.00 55.36 54.12 1ad9 s GLN 3 Cb -0.27 0.26 0.01 0.00 -1.09 0.00 0.00 33.01 31.92 1ad9 s GLN 3 CO 0.34 -0.16 -0.08 -0.51 -1.32 0.00 0.00 175.29 173.56 1ad9 s LEU 4 N -0.96 2.92 -0.21 2.60 1.43 -1.26 -2.54 118.68 120.66 1ad9 s LEU 4 Ca -0.01 -0.68 -0.05 0.00 -1.03 0.00 0.00 54.13 52.36 1ad9 s LEU 4 Cb -0.01 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 1ad9 s LEU 4 CO 0.00 -0.07 0.01 -0.69 0.23 0.00 0.00 176.35 175.82 1ad9 s VAL 5 N 1.37 3.95 0.29 -1.59 1.01 0.04 -3.68 120.40 121.79 1ad9 s VAL 5 Ca 0.03 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.72 1ad9 s VAL 5 Cb -0.15 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1ad9 s VAL 5 CO -0.06 0.42 0.46 -1.10 0.00 0.00 0.00 175.10 174.82 1ad9 s GLN 6 N 1.12 3.47 0.88 2.72 -0.21 -1.26 0.15 119.66 126.53 1ad9 s GLN 6 Ca 0.03 -0.52 -0.11 0.00 0.02 0.00 0.00 55.36 54.77 1ad9 s GLN 6 Cb -0.14 -2.77 0.12 0.00 1.00 0.00 0.00 33.01 31.22 1ad9 s GLN 6 CO 0.01 0.28 1.09 -1.54 -2.12 0.00 0.00 175.29 173.02 1ad9 s SER 7 N -3.98 3.56 1.01 5.90 1.04 -0.75 -4.97 113.70 115.51 1ad9 s SER 7 Ca 0.37 1.57 -0.12 0.00 0.48 0.00 0.00 55.95 58.25 1ad9 s SER 7 Cb -0.09 -2.25 0.19 0.00 0.10 0.00 0.00 66.02 63.97 1ad9 s SER 7 CO 0.33 -2.60 1.08 -0.83 0.98 0.00 0.00 173.24 172.20 1ad9 s GLY 8 N -3.36 1.57 0.77 7.32 0.00 -1.26 -4.63 107.32 107.73 1ad9 s GLY 8 Ca 0.63 -0.25 -0.15 0.00 0.00 0.00 0.00 44.72 44.95 1ad9 s GLY 8 CO 0.57 0.35 1.21 0.00 0.00 0.00 0.00 173.10 175.23 1ad9 n ALA 9 N -4.25 0.23 -3.06 3.20 0.00 -1.26 -4.76 120.51 110.61 1ad9 n ALA 9 Ca 0.05 -0.25 -0.12 0.00 0.00 0.00 0.00 53.44 53.13 1ad9 n ALA 9 Cb 0.56 -2.26 -0.11 0.00 0.00 0.00 0.00 19.45 17.64 1ad9 n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ad9 s GLU 10 N -3.89 0.32 -0.18 0.00 2.02 -0.50 -4.98 118.70 111.49 1ad9 s GLU 10 Ca 0.76 -0.11 -0.03 0.00 0.02 0.00 0.00 54.97 55.60 1ad9 s GLU 10 Cb -0.32 0.14 -0.02 0.00 0.10 0.00 0.00 34.13 34.03 1ad9 s GLU 10 CO 0.48 -0.06 -0.05 0.08 0.02 0.00 0.00 175.26 175.73 1ad9 s VAL 11 N -0.67 3.60 0.09 2.63 1.01 -1.26 -1.31 120.40 124.48 1ad9 s VAL 11 Ca -0.08 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.53 1ad9 s VAL 11 Cb -0.05 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 1ad9 s VAL 11 CO 0.01 0.46 -0.17 -0.54 0.00 0.00 0.00 175.10 174.86 1ad9 s LYS 12 N 0.85 0.96 0.35 2.72 -0.14 -0.15 -4.99 119.74 119.34 1ad9 s LYS 12 Ca -0.01 -1.05 -0.18 0.00 -1.36 0.00 0.00 55.97 53.37 1ad9 s LYS 12 Cb -0.15 -1.09 -0.10 0.00 -1.68 0.00 0.00 37.83 34.82 1ad9 s LYS 12 CO 0.01 0.25 0.83 0.15 -0.76 0.00 0.00 175.35 175.83 1ad9 s LYS 13 N -1.82 4.14 0.32 1.68 -0.14 -1.24 -1.03 119.74 121.64 1ad9 s LYS 13 Ca 0.02 0.89 -0.29 0.00 -1.36 0.00 0.00 55.97 55.23 1ad9 s LYS 13 Cb -0.10 -2.39 -0.11 0.00 -1.68 0.00 0.00 37.83 33.55 1ad9 s LYS 13 CO 0.03 0.11 1.49 -2.14 -0.76 0.00 0.00 175.35 174.08 1ad9 s PRO 14 N -2.92 4.18 0.00 -1.68 0.02 -1.26 -2.23 135.00 131.10 1ad9 s PRO 14 Ca 0.56 2.47 0.00 0.00 0.02 0.00 0.00 61.00 64.05 1ad9 s PRO 14 Cb -0.11 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.39 1ad9 s PRO 14 CO 0.16 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 176.75 1ad9 n GLY 15 N 1.38 3.07 3.51 0.52 0.00 0.52 -4.91 105.19 109.28 1ad9 n GLY 15 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 1ad9 n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ad9 n SER 16 N 0.00 0.56 -4.25 1.61 3.41 -0.95 -4.06 113.62 109.94 1ad9 n SER 16 Ca 0.00 -1.68 -0.23 0.00 -0.26 0.00 0.00 58.87 56.69 1ad9 n SER 16 Cb 0.00 -0.79 -0.13 0.00 -0.26 0.00 0.00 64.21 63.03 1ad9 n SER 16 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ad9 s SER 17 N -5.12 2.34 0.06 4.04 0.01 -1.26 -2.06 113.70 111.70 1ad9 s SER 17 Ca 0.65 -0.60 0.06 0.00 1.31 0.00 0.00 55.95 57.37 1ad9 s SER 17 Cb -0.02 -0.15 -0.03 0.00 0.21 0.00 0.00 66.02 66.03 1ad9 s SER 17 CO 0.45 0.07 -0.18 0.54 0.41 0.00 0.00 173.24 174.54 1ad9 s VAL 18 N -1.03 1.41 -0.29 3.43 0.11 -0.95 -5.01 120.40 118.07 1ad9 s VAL 18 Ca 0.05 -1.23 -0.02 0.00 -2.93 0.00 0.00 61.98 57.86 1ad9 s VAL 18 Cb -0.09 -1.27 0.09 0.00 -1.53 0.00 0.00 36.38 33.58 1ad9 s VAL 18 CO 0.03 0.01 0.09 -0.75 -3.33 0.00 0.00 175.10 171.15 1ad9 s LYS 19 N -1.41 0.63 0.27 1.54 2.20 -1.26 -1.54 119.74 120.16 1ad9 s LYS 19 Ca 0.04 -0.89 -0.20 0.00 -0.36 0.00 0.00 55.97 54.56 1ad9 s LYS 19 Cb -0.09 -1.87 -0.09 0.00 -1.51 0.00 0.00 37.83 34.27 1ad9 s LYS 19 CO 0.02 -0.94 0.78 0.08 -0.36 0.00 0.00 175.35 174.93 1ad9 s VAL 20 N 1.73 4.51 0.17 4.02 1.01 -0.10 -4.88 120.40 126.87 1ad9 s VAL 20 Ca 0.08 1.34 0.09 0.00 0.00 0.00 0.00 61.98 63.48 1ad9 s VAL 20 Cb -0.17 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1ad9 s VAL 20 CO -0.25 0.10 -0.09 -0.94 0.00 0.00 0.00 175.10 173.93 1ad9 s SER 21 N -1.77 4.31 -0.28 3.32 1.04 -1.26 -1.52 113.70 117.53 1ad9 s SER 21 Ca 0.47 -0.54 -0.03 0.00 0.48 0.00 0.00 55.95 56.33 1ad9 s SER 21 Cb -0.16 -0.76 0.10 0.00 0.10 0.00 0.00 66.02 65.30 1ad9 s SER 21 CO 0.20 0.11 0.12 0.00 0.98 0.00 0.00 173.24 174.65 1ad9 s LYS 23 N 1.97 4.33 -0.01 0.00 2.36 0.12 -0.54 119.74 127.97 1ad9 s LYS 23 Ca 0.08 0.76 0.01 0.00 -2.55 0.00 0.00 55.97 54.28 1ad9 s LYS 23 Cb -0.16 -3.51 -0.04 0.00 -1.05 0.00 0.00 37.83 33.07 1ad9 s LYS 23 CO -0.31 -0.09 0.01 0.00 1.55 0.00 0.00 175.35 176.50 1ad9 s ALA 24 N 1.38 3.31 0.21 3.13 0.00 -0.01 -0.78 121.76 129.00 1ad9 s ALA 24 Ca 0.33 -0.93 -0.21 0.00 0.00 0.00 0.00 51.96 51.14 1ad9 s ALA 24 Cb -0.17 -1.37 0.05 0.00 0.00 0.00 0.00 23.12 21.63 1ad9 s ALA 24 CO 0.14 0.65 0.63 -1.54 0.00 0.00 0.00 175.76 175.63 1ad9 s SER 25 N -1.53 -0.41 0.00 0.00 1.04 -1.05 -4.82 113.70 106.93 1ad9 s SER 25 Ca 0.19 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1ad9 s SER 25 Cb -0.12 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1ad9 s SER 25 CO 0.10 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.82 1ad9 n GLY 26 N -0.40 0.78 3.72 7.32 0.00 -1.26 -2.27 105.19 113.08 1ad9 n GLY 26 Ca -0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 1ad9 n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ad9 s TYR 27 N -3.01 -0.29 -0.58 1.61 1.13 -1.26 -4.44 117.35 110.50 1ad9 s TYR 27 Ca 0.00 -0.09 -0.28 0.00 -1.41 0.00 0.00 57.07 55.30 1ad9 s TYR 27 Cb 0.00 0.66 0.02 0.00 -1.10 0.00 0.00 41.96 41.54 1ad9 s TYR 27 CO 0.00 -1.09 1.39 0.99 -2.51 0.00 0.00 175.55 174.32 1ad9 s THR 28 N -3.82 3.79 0.25 -3.49 2.01 -1.26 -4.90 115.64 108.22 1ad9 s THR 28 Ca 0.08 0.65 -0.06 0.00 0.31 0.00 0.00 61.69 62.67 1ad9 s THR 28 Cb -0.04 -4.51 0.30 0.00 0.01 0.00 0.00 72.50 68.26 1ad9 s THR 28 CO 0.01 -1.26 1.63 0.15 -0.69 0.00 0.00 174.62 174.46 1ad9 h PHE 29 N 10.91 -0.06 0.00 4.92 3.57 -1.94 -1.78 116.94 132.56 1ad9 h PHE 29 Ca -0.27 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1ad9 h PHE 29 Cb 1.09 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1ad9 h PHE 29 CO 1.05 -0.26 0.00 0.25 -2.23 0.00 0.00 178.31 177.11 1ad9 n THR 30 N -5.36 0.86 0.18 4.41 -2.24 -1.26 -3.29 114.28 107.56 1ad9 n THR 30 Ca 0.15 0.22 0.08 0.00 -2.27 0.00 0.00 64.05 62.23 1ad9 n THR 30 Cb 0.50 -1.11 0.10 0.00 -2.10 0.00 0.00 70.33 67.72 1ad9 n THR 30 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ad9 h ASP 31 N 0.00 0.00 -4.05 3.42 3.32 -1.73 -3.36 116.42 114.02 1ad9 h ASP 31 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 1ad9 h ASP 31 Cb 0.35 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 39.67 1ad9 h ASP 31 CO 0.00 0.22 -0.87 -0.31 -1.72 0.00 0.00 179.24 176.56 1ad9 s TYR 32 N -3.11 2.23 0.52 4.55 1.51 -1.21 -4.69 117.35 117.16 1ad9 s TYR 32 Ca 0.05 -0.39 -0.14 0.00 -1.01 0.00 0.00 57.07 55.58 1ad9 s TYR 32 Cb 0.06 -1.25 -0.07 0.00 -0.11 0.00 0.00 41.96 40.60 1ad9 s TYR 32 CO 0.71 0.26 0.96 0.71 -1.11 0.00 0.00 175.55 177.09 1ad9 s TYR 33 N -1.00 3.49 -0.23 2.71 1.51 -1.24 -4.46 117.35 118.14 1ad9 s TYR 33 Ca 0.12 1.36 -0.00 0.00 -1.01 0.00 0.00 57.07 57.54 1ad9 s TYR 33 Cb -0.10 -2.72 0.03 0.00 -0.11 0.00 0.00 41.96 39.05 1ad9 s TYR 33 CO 0.05 -0.40 -0.11 0.42 -1.11 0.00 0.00 175.55 174.40 1ad9 s ILE 34 N -2.71 2.57 0.17 2.71 -1.09 -0.84 -1.14 121.20 120.87 1ad9 s ILE 34 Ca 0.57 -1.04 0.03 0.00 -2.23 0.00 0.00 60.65 57.98 1ad9 s ILE 34 Cb -0.10 -2.26 -0.03 0.00 -1.58 0.00 0.00 42.46 38.49 1ad9 s ILE 34 CO 0.36 0.29 0.29 0.20 -1.23 0.00 0.00 174.94 174.86 1ad9 s ASN 35 N 1.30 6.28 -0.10 3.58 0.01 0.16 -1.65 114.94 124.51 1ad9 s ASN 35 Ca 0.01 0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.29 1ad9 s ASN 35 Cb -0.16 -1.87 0.02 0.00 0.41 0.00 0.00 41.25 39.66 1ad9 s ASN 35 CO -0.07 0.02 -0.09 0.26 -1.51 0.00 0.00 177.10 175.71 1ad9 s TRP 36 N -1.80 1.50 0.42 2.20 0.52 0.18 -0.24 118.94 121.72 1ad9 s TRP 36 Ca 0.34 -0.71 0.07 0.00 0.02 0.00 0.00 56.10 55.82 1ad9 s TRP 36 Cb -0.10 -1.20 -0.06 0.00 -1.15 0.00 0.00 33.47 30.95 1ad9 s TRP 36 CO 0.28 -0.46 0.08 -1.64 0.02 0.00 0.00 176.95 175.24 1ad9 s MET 37 N 1.42 2.08 -0.03 4.98 -1.94 0.15 0.07 119.30 126.02 1ad9 s MET 37 Ca -0.00 -2.03 -0.13 0.00 -1.71 0.00 0.00 55.69 51.82 1ad9 s MET 37 Cb -0.13 -1.77 0.02 0.00 2.01 0.00 0.00 34.83 34.96 1ad9 s MET 37 CO -0.05 -0.10 0.30 -0.98 -0.01 0.00 0.00 175.02 174.17 1ad9 s ARG 38 N -3.80 0.59 -0.14 2.03 1.70 0.26 -0.62 118.95 118.97 1ad9 s ARG 38 Ca 0.36 -0.08 -0.04 0.00 -0.47 0.00 0.00 55.73 55.50 1ad9 s ARG 38 Cb 0.07 0.27 0.05 0.00 -0.57 0.00 0.00 34.95 34.77 1ad9 s ARG 38 CO 0.19 -0.15 0.06 -1.14 -1.08 0.00 0.00 175.30 173.18 1ad9 s GLN 39 N -1.03 0.20 0.99 3.89 0.74 0.10 -1.56 119.66 122.99 1ad9 s GLN 39 Ca -0.11 -0.04 -0.12 0.00 0.05 0.00 0.00 55.36 55.14 1ad9 s GLN 39 Cb -0.05 -1.55 0.18 0.00 1.10 0.00 0.00 33.01 32.69 1ad9 s GLN 39 CO 0.03 -0.56 1.08 0.00 -0.55 0.00 0.00 175.29 175.29 1ad9 s ALA 40 N 2.07 0.92 0.00 1.58 0.00 -1.26 -0.55 121.76 124.53 1ad9 s ALA 40 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1ad9 s ALA 40 Cb -0.15 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1ad9 s ALA 40 CO -0.07 -2.85 0.75 -2.30 0.00 0.00 0.00 175.76 171.29 1ad9 n PRO 41 N -4.21 0.00 -1.53 0.00 -0.02 -1.26 -3.09 135.00 124.88 1ad9 n PRO 41 Ca 0.06 0.61 -0.32 0.00 -2.02 0.00 0.00 63.50 61.82 1ad9 n PRO 41 Cb 0.56 -1.25 0.02 0.00 -0.02 0.00 0.00 33.50 32.81 1ad9 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ad9 n GLY 42 N -0.93 5.07 3.29 -1.23 0.00 -1.26 -4.94 105.19 105.18 1ad9 n GLY 42 Ca 0.00 -2.09 -0.18 0.00 0.00 0.00 0.00 46.02 43.76 1ad9 n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ad9 s GLN 43 N -3.04 1.68 0.61 1.61 1.11 -1.18 -5.17 119.66 115.27 1ad9 s GLN 43 Ca 0.54 -1.92 -0.01 0.00 0.01 0.00 0.00 55.36 53.97 1ad9 s GLN 43 Cb 0.41 0.33 0.12 0.00 -1.01 0.00 0.00 33.01 32.86 1ad9 s GLN 43 CO -0.22 -0.62 0.83 0.41 0.01 0.00 0.00 175.29 175.70 1ad9 n GLY 44 N -0.56 0.47 3.80 3.09 0.00 -1.26 -4.62 105.19 106.11 1ad9 n GLY 44 Ca 0.06 -1.99 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 1ad9 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ad9 s LEU 45 N 0.00 3.42 -0.12 0.99 2.01 -1.26 -4.36 118.68 119.37 1ad9 s LEU 45 Ca 0.54 1.84 -0.09 0.00 0.01 0.00 0.00 54.13 56.43 1ad9 s LEU 45 Cb -0.03 -4.53 0.04 0.00 0.01 0.00 0.00 46.19 41.67 1ad9 s LEU 45 CO 0.36 -1.33 0.30 -0.70 1.01 0.00 0.00 176.35 175.99 1ad9 s GLU 46 N -4.21 0.32 -0.10 1.70 2.12 -0.60 -4.99 118.70 112.94 1ad9 s GLU 46 Ca 0.64 0.47 -0.23 0.00 0.36 0.00 0.00 54.97 56.21 1ad9 s GLU 46 Cb -0.17 0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.28 1ad9 s GLU 46 CO 0.40 -0.08 0.70 -0.46 -0.54 0.00 0.00 175.26 175.29 1ad9 s TRP 47 N 0.52 3.52 -0.19 5.30 -0.00 -1.26 -0.58 118.94 126.25 1ad9 s TRP 47 Ca -0.03 1.19 -0.17 0.00 -0.00 0.00 0.00 56.10 57.09 1ad9 s TRP 47 Cb -0.04 -2.83 -0.13 0.00 -0.00 0.00 0.00 33.47 30.47 1ad9 s TRP 47 CO -0.03 0.00 0.02 -0.89 -0.00 0.00 0.00 176.95 176.06 1ad9 n ILE 48 N 4.06 1.49 0.00 5.86 5.41 0.11 -4.74 119.36 131.55 1ad9 n ILE 48 Ca -0.01 0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1ad9 n ILE 48 Cb 0.51 -2.16 0.00 0.00 -0.71 0.00 0.00 39.64 37.28 1ad9 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ad9 n GLY 49 N 1.48 -0.07 3.42 7.39 0.00 -1.11 -1.60 105.19 114.71 1ad9 n GLY 49 Ca -0.25 -1.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.45 1ad9 n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1ad9 s TRP 50 N -2.00 1.79 -0.18 1.61 1.48 -0.47 -0.65 118.94 120.53 1ad9 s TRP 50 Ca 0.00 -1.11 -0.15 0.00 -1.06 0.00 0.00 56.10 53.78 1ad9 s TRP 50 Cb 0.00 -1.13 0.05 0.00 -1.16 0.00 0.00 33.47 31.23 1ad9 s TRP 50 CO 0.00 -0.18 0.46 -1.50 -4.06 0.00 0.00 176.95 171.67 1ad9 s ILE 51 N -3.42 -0.00 -0.58 0.66 2.07 -0.66 -1.73 121.20 117.54 1ad9 s ILE 51 Ca 0.34 0.02 -0.23 0.00 -1.41 0.00 0.00 60.65 59.37 1ad9 s ILE 51 Cb 0.07 -0.65 0.05 0.00 0.13 0.00 0.00 42.46 42.06 1ad9 s ILE 51 CO 0.15 0.01 0.90 -0.62 -1.91 0.00 0.00 174.94 173.46 1ad9 s ASP 52 N 0.52 6.27 0.44 4.50 2.15 0.11 -1.99 116.67 128.68 1ad9 s ASP 52 Ca -0.02 -0.65 0.20 0.00 0.43 0.00 0.00 52.55 52.51 1ad9 s ASP 52 Cb -0.04 -2.41 1.16 0.00 -0.30 0.00 0.00 42.92 41.33 1ad9 s ASP 52 CO -0.03 -1.24 1.87 -0.65 -0.17 0.00 0.00 175.17 174.96 1ad9 h PRO 52 N 9.34 0.31 0.00 4.34 0.11 -1.86 0.94 132.00 145.18 1ad9 h PRO 52 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1ad9 h PRO 52 Cb 1.08 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1ad9 h PRO 52 CO 1.10 0.21 0.00 0.41 -0.21 0.00 0.00 178.00 179.50 1ad9 n GLY 53 N -1.55 -0.84 0.00 -0.55 0.00 -1.26 -4.13 105.19 96.86 1ad9 n GLY 53 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ad9 n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ad9 n SER 54 N -0.57 0.00 0.00 1.61 3.41 -0.31 -5.01 113.62 112.75 1ad9 n SER 54 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1ad9 n SER 54 Cb 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1ad9 n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ad9 n GLY 55 N -0.32 0.75 3.74 5.00 0.00 0.31 -5.03 105.19 109.64 1ad9 n GLY 55 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ad9 n GLY 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ad9 s ASN 56 N -2.20 6.97 0.33 1.61 2.47 -1.24 -4.74 114.94 118.13 1ad9 s ASN 56 Ca 0.00 2.37 0.06 0.00 0.42 0.00 0.00 52.86 55.71 1ad9 s ASN 56 Cb 0.00 -2.61 -0.07 0.00 -1.45 0.00 0.00 41.25 37.12 1ad9 s ASN 56 CO 0.00 -0.46 -0.00 0.42 -3.72 0.00 0.00 177.10 173.34 1ad9 s THR 57 N -0.14 1.59 -0.13 -5.21 -4.23 -1.26 0.05 115.64 106.31 1ad9 s THR 57 Ca 0.54 -2.06 -0.06 0.00 -1.18 0.00 0.00 61.69 58.93 1ad9 s THR 57 Cb -0.35 -2.71 0.06 0.00 1.34 0.00 0.00 72.50 70.84 1ad9 s THR 57 CO 0.39 -0.12 0.30 -0.75 -0.54 0.00 0.00 174.62 173.90 1ad9 s LYS 58 N -3.78 0.23 0.29 3.99 2.36 -0.70 -4.99 119.74 117.14 1ad9 s LYS 58 Ca 0.33 0.70 0.10 0.00 -2.55 0.00 0.00 55.97 54.55 1ad9 s LYS 58 Cb 0.07 -0.03 -0.05 0.00 -1.05 0.00 0.00 37.83 36.77 1ad9 s LYS 58 CO 0.15 -0.21 -0.05 0.71 1.55 0.00 0.00 175.35 177.49 1ad9 s TYR 59 N 1.81 2.54 0.08 4.03 2.02 -1.26 -1.37 117.35 125.20 1ad9 s TYR 59 Ca -0.05 -0.31 -0.22 0.00 -0.37 0.00 0.00 57.07 56.12 1ad9 s TYR 59 Cb -0.11 -1.22 -0.07 0.00 -0.40 0.00 0.00 41.96 40.16 1ad9 s TYR 59 CO -0.10 0.61 0.66 1.21 -1.57 0.00 0.00 175.55 176.36 1ad9 s ASN 60 N -3.64 7.16 0.37 2.29 3.84 -0.63 -4.95 114.94 119.37 1ad9 s ASN 60 Ca 0.32 1.37 0.14 0.00 0.21 0.00 0.00 52.86 54.90 1ad9 s ASN 60 Cb -0.04 -2.42 0.97 0.00 -0.55 0.00 0.00 41.25 39.21 1ad9 s ASN 60 CO 0.18 0.18 1.80 -0.33 -2.79 0.00 0.00 177.10 176.15 1ad9 h GLU 61 N 4.90 0.51 0.00 0.43 4.39 -1.95 -0.56 114.58 122.30 1ad9 h GLU 61 Ca -0.47 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1ad9 h GLU 61 Cb 1.21 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1ad9 h GLU 61 CO 0.67 0.34 0.00 0.87 -1.16 0.00 0.00 179.01 179.73 1ad9 h LYS 62 N 0.53 0.00 -0.03 2.33 6.56 -1.96 -3.09 116.57 120.91 1ad9 h LYS 62 Ca 0.54 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.13 1ad9 h LYS 62 Cb 1.17 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 1ad9 h LYS 62 CO -0.28 0.00 0.00 1.19 -2.06 0.00 0.00 179.45 178.30 1ad9 n PHE 63 N -2.82 0.02 -2.01 -1.35 3.72 -0.28 -4.91 117.46 109.82 1ad9 n PHE 63 Ca 0.01 -0.02 -0.41 0.00 -0.05 0.00 0.00 57.45 56.97 1ad9 n PHE 63 Cb 0.27 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.78 1ad9 n PHE 63 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1ad9 s LYS 64 N -0.80 4.26 0.00 -1.08 2.47 -0.80 0.04 119.74 123.83 1ad9 s LYS 64 Ca 0.11 2.30 0.00 0.00 -1.56 0.00 0.00 55.97 56.82 1ad9 s LYS 64 Cb 0.08 -3.12 0.00 0.00 -1.46 0.00 0.00 37.83 33.33 1ad9 s LYS 64 CO 0.12 -0.44 0.00 0.41 0.16 0.00 0.00 175.35 175.60 1ad9 n GLY 65 N 2.45 2.16 0.17 5.54 0.00 -1.26 -4.67 105.19 109.58 1ad9 n GLY 65 Ca 0.08 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 1ad9 n GLY 65 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ad9 h ARG 66 N 0.00 -0.33 -6.38 1.61 2.47 -1.85 -3.45 114.38 106.46 1ad9 h ARG 66 Ca 0.00 0.02 -0.55 0.00 -1.26 0.00 0.00 59.98 58.19 1ad9 h ARG 66 Cb 0.00 0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.36 1ad9 h ARG 66 CO 0.00 -0.03 0.03 0.00 0.56 0.00 0.00 179.97 180.53 1ad9 s ALA 67 N -3.71 3.52 -0.07 0.04 0.00 0.11 -4.31 121.76 117.34 1ad9 s ALA 67 Ca -0.10 0.10 -0.02 0.00 0.00 0.00 0.00 51.96 51.94 1ad9 s ALA 67 Cb 0.01 -2.72 0.04 0.00 0.00 0.00 0.00 23.12 20.44 1ad9 s ALA 67 CO 0.35 0.37 0.06 0.99 0.00 0.00 0.00 175.76 177.52 1ad9 s THR 68 N -1.26 -0.00 -0.12 0.00 2.01 -0.04 -4.75 115.64 111.47 1ad9 s THR 68 Ca 0.35 0.23 -0.06 0.00 0.31 0.00 0.00 61.69 62.52 1ad9 s THR 68 Cb -0.19 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 1ad9 s THR 68 CO 0.21 0.09 0.09 -0.76 -0.69 0.00 0.00 174.62 173.56 1ad9 s LEU 69 N 2.12 4.08 0.22 4.42 1.43 -1.26 -0.91 118.68 128.78 1ad9 s LEU 69 Ca 0.04 0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 53.40 1ad9 s LEU 69 Cb -0.13 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 1ad9 s LEU 69 CO -0.05 0.37 0.28 0.42 0.23 0.00 0.00 176.35 177.60 1ad9 s THR 70 N -0.78 0.01 0.11 5.49 -4.23 -0.93 -5.00 115.64 110.31 1ad9 s THR 70 Ca 0.13 -1.73 -0.03 0.00 -1.18 0.00 0.00 61.69 58.89 1ad9 s THR 70 Cb -0.12 -2.33 -0.03 0.00 1.34 0.00 0.00 72.50 71.36 1ad9 s THR 70 CO 0.03 -0.03 0.08 0.68 -0.54 0.00 0.00 174.62 174.83 1ad9 s VAL 71 N -4.09 0.13 -0.35 2.29 -7.23 -1.26 -0.38 120.40 109.52 1ad9 s VAL 71 Ca 0.31 -1.77 -0.00 0.00 -1.81 0.00 0.00 61.98 58.70 1ad9 s VAL 71 Cb 0.04 -1.85 0.13 0.00 0.56 0.00 0.00 36.38 35.26 1ad9 s VAL 71 CO 0.10 -0.58 0.20 -0.62 -0.31 0.00 0.00 175.10 173.89 1ad9 s ASP 72 N -3.00 3.07 0.64 4.85 -1.08 0.84 -4.96 116.67 117.04 1ad9 s ASP 72 Ca 0.18 -2.08 0.40 0.00 -0.52 0.00 0.00 52.55 50.53 1ad9 s ASP 72 Cb 0.07 -0.41 2.24 0.00 -1.46 0.00 0.00 42.92 43.36 1ad9 s ASP 72 CO -0.02 -0.33 2.33 0.71 0.52 0.00 0.00 175.17 178.39 1ad9 h THR 73 N 5.22 0.15 0.00 1.71 1.35 -1.89 0.10 112.91 119.55 1ad9 h THR 73 Ca 0.02 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1ad9 h THR 73 Cb 0.97 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1ad9 h THR 73 CO 0.29 0.00 0.00 0.77 -0.25 0.00 0.00 175.52 176.34 1ad9 h SER 74 N 0.00 0.00 0.00 5.36 4.64 -1.96 -3.18 113.55 118.41 1ad9 h SER 74 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ad9 h SER 74 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1ad9 h SER 74 CO 0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 1ad9 n THR 75 N -2.50 0.02 -3.74 2.95 -2.24 -0.72 -5.02 114.28 103.03 1ad9 n THR 75 Ca 0.04 -0.39 -0.26 0.00 -2.27 0.00 0.00 64.05 61.16 1ad9 n THR 75 Cb 0.36 1.21 0.05 0.00 -2.10 0.00 0.00 70.33 69.86 1ad9 n THR 75 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ad9 n ASN 76 N -0.01 -4.74 -4.26 3.42 3.02 0.27 -4.74 115.26 108.23 1ad9 n ASN 76 Ca 0.00 -0.69 -0.32 0.00 -0.03 0.00 0.00 54.58 53.54 1ad9 n ASN 76 Cb 0.06 -4.41 -0.16 0.00 -0.61 0.00 0.00 39.78 34.66 1ad9 n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ad9 s THR 77 N -3.36 2.20 -0.09 3.41 2.01 -0.84 -0.83 115.64 118.15 1ad9 s THR 77 Ca 0.51 -0.98 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 1ad9 s THR 77 Cb -0.24 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 1ad9 s THR 77 CO 0.79 0.56 0.07 0.00 -0.69 0.00 0.00 174.62 175.34 1ad9 s ALA 78 N 0.18 3.57 0.17 7.40 0.00 0.30 -0.11 121.76 133.26 1ad9 s ALA 78 Ca -0.13 -0.75 0.10 0.00 0.00 0.00 0.00 51.96 51.17 1ad9 s ALA 78 Cb -0.16 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 1ad9 s ALA 78 CO 0.07 0.62 -0.21 0.71 0.00 0.00 0.00 175.76 176.95 1ad9 s TYR 79 N -0.99 2.00 -0.15 0.00 2.02 0.49 0.17 117.35 120.89 1ad9 s TYR 79 Ca 0.16 -0.42 -0.04 0.00 -0.37 0.00 0.00 57.07 56.39 1ad9 s TYR 79 Cb -0.12 -1.00 0.06 0.00 -0.40 0.00 0.00 41.96 40.51 1ad9 s TYR 79 CO 0.05 0.39 0.14 1.41 -1.57 0.00 0.00 175.55 175.96 1ad9 s MET 80 N -2.68 0.07 -0.21 -0.62 -2.45 -0.58 -2.19 119.30 110.65 1ad9 s MET 80 Ca 0.17 0.19 -0.02 0.00 -1.25 0.00 0.00 55.69 54.78 1ad9 s MET 80 Cb -0.07 -1.18 0.00 0.00 1.25 0.00 0.00 34.83 34.84 1ad9 s MET 80 CO 0.08 -0.55 -0.10 -2.00 1.05 0.00 0.00 175.02 173.49 1ad9 s GLU 81 N 2.23 3.22 0.42 4.11 2.12 -0.09 -0.92 118.70 129.79 1ad9 s GLU 81 Ca 0.04 -0.71 0.08 0.00 0.36 0.00 0.00 54.97 54.74 1ad9 s GLU 81 Cb -0.15 -2.85 -0.03 0.00 0.26 0.00 0.00 34.13 31.37 1ad9 s GLU 81 CO -0.08 -0.21 0.30 -1.17 -0.54 0.00 0.00 175.26 173.56 1ad9 s LEU 82 N 1.41 3.29 0.00 2.70 0.20 -0.59 -0.86 118.68 124.83 1ad9 s LEU 82 Ca 0.05 -0.87 0.00 0.00 0.69 0.00 0.00 54.13 54.00 1ad9 s LEU 82 Cb -0.14 -1.82 0.00 0.00 -0.43 0.00 0.00 46.19 43.80 1ad9 s LEU 82 CO -0.07 -0.62 0.00 -1.20 -0.29 0.00 0.00 176.35 174.17 1ad9 n SER 82 N -1.43 0.00 -4.77 3.68 7.64 -1.14 -2.24 113.62 115.36 1ad9 n SER 82 Ca 0.02 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.49 1ad9 n SER 82 Cb 0.63 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.80 1ad9 n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ad9 s LEU 82 N -1.17 4.45 0.42 -3.43 1.43 -0.87 -4.66 118.68 114.85 1ad9 s LEU 82 Ca 0.00 2.61 0.04 0.00 -1.03 0.00 0.00 54.13 55.75 1ad9 s LEU 82 Cb 0.00 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 1ad9 s LEU 82 CO 0.00 -0.47 0.04 -0.13 0.23 0.00 0.00 176.35 176.02 1ad9 s ARG 83 N -1.66 1.96 0.42 1.70 0.52 -1.26 -0.36 118.95 120.27 1ad9 s ARG 83 Ca 0.48 -2.17 0.11 0.00 -0.52 0.00 0.00 55.73 53.64 1ad9 s ARG 83 Cb -0.38 -1.29 0.91 0.00 0.52 0.00 0.00 34.95 34.71 1ad9 s ARG 83 CO 0.50 -0.24 1.98 0.66 0.02 0.00 0.00 175.30 178.22 1ad9 h SER 84 N 1.72 0.15 0.54 0.23 4.64 -1.98 -2.01 113.55 116.85 1ad9 h SER 84 Ca -0.42 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1ad9 h SER 84 Cb 1.27 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1ad9 h SER 84 CO 0.73 0.28 0.00 1.05 -0.87 0.00 0.00 176.83 178.02 1ad9 h GLU 85 N 0.16 0.00 0.00 4.77 9.09 -1.96 -1.76 114.58 124.89 1ad9 h GLU 85 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.45 1ad9 h GLU 85 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 1ad9 h GLU 85 CO 0.02 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.83 1ad9 n ASP 86 N -2.85 0.00 -4.62 3.06 8.00 -0.75 -4.78 116.55 114.60 1ad9 n ASP 86 Ca -0.01 0.08 -0.43 0.00 0.71 0.00 0.00 54.79 55.15 1ad9 n ASP 86 Cb 0.19 -0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 40.90 1ad9 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ad9 s THR 87 N -2.72 3.28 0.01 -3.53 2.01 -0.66 -4.87 115.64 109.16 1ad9 s THR 87 Ca 0.23 0.32 -0.28 0.00 0.31 0.00 0.00 61.69 62.27 1ad9 s THR 87 Cb 0.19 -3.30 0.09 0.00 0.01 0.00 0.00 72.50 69.49 1ad9 s THR 87 CO 0.47 -0.14 1.25 0.00 -0.69 0.00 0.00 174.62 175.52 1ad9 s ALA 88 N 6.20 -2.35 -0.00 7.40 0.00 -0.95 -4.44 121.76 127.62 1ad9 s ALA 88 Ca 0.86 0.01 -0.17 0.00 0.00 0.00 0.00 51.96 52.66 1ad9 s ALA 88 Cb -0.32 0.85 -0.06 0.00 0.00 0.00 0.00 23.12 23.60 1ad9 s ALA 88 CO 0.35 -1.13 0.48 -0.06 0.00 0.00 0.00 175.76 175.39 1ad9 s PHE 89 N -2.06 3.71 -0.19 0.00 0.08 0.29 -1.38 117.98 118.43 1ad9 s PHE 89 Ca 0.28 1.07 -0.02 0.00 0.12 0.00 0.00 56.93 58.38 1ad9 s PHE 89 Cb -0.01 -2.43 -0.00 0.00 -0.57 0.00 0.00 43.02 40.01 1ad9 s PHE 89 CO -0.00 0.51 -0.10 0.71 -0.10 0.00 0.00 175.22 176.24 1ad9 s TYR 90 N -0.68 2.89 0.09 0.36 1.51 0.00 -0.73 117.35 120.79 1ad9 s TYR 90 Ca 0.26 -1.07 0.07 0.00 -1.01 0.00 0.00 57.07 55.32 1ad9 s TYR 90 Cb -0.17 -2.01 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 1ad9 s TYR 90 CO 0.15 -0.56 -0.10 -0.06 -1.11 0.00 0.00 175.55 173.88 1ad9 s PHE 91 N 1.24 2.76 -0.03 2.71 0.08 0.21 -1.69 117.98 123.26 1ad9 s PHE 91 Ca 0.03 -0.14 0.05 0.00 0.12 0.00 0.00 56.93 56.99 1ad9 s PHE 91 Cb -0.14 -1.46 -0.01 0.00 -0.57 0.00 0.00 43.02 40.84 1ad9 s PHE 91 CO -0.04 0.41 -0.18 0.00 -0.10 0.00 0.00 175.22 175.31 1ad9 s ALA 93 N -0.26 -0.01 0.32 0.00 0.00 0.67 -0.85 121.76 121.63 1ad9 s ALA 93 Ca 0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 1ad9 s ALA 93 Cb -0.09 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1ad9 s ALA 93 CO 0.00 -0.15 0.55 -0.98 0.00 0.00 0.00 175.76 175.18 1ad9 s ARG 94 N -1.26 3.54 -0.34 0.00 1.70 -0.64 0.35 118.95 122.32 1ad9 s ARG 94 Ca -0.14 -0.17 0.01 0.00 -0.47 0.00 0.00 55.73 54.96 1ad9 s ARG 94 Cb -0.08 -2.65 0.11 0.00 -0.57 0.00 0.00 34.95 31.75 1ad9 s ARG 94 CO -0.00 0.17 0.11 -2.00 -1.08 0.00 0.00 175.30 172.49 1ad9 s GLU 95 N -3.98 0.97 0.32 3.89 2.12 -0.29 -3.46 118.70 118.26 1ad9 s GLU 95 Ca 0.42 -1.39 -0.29 0.00 0.36 0.00 0.00 54.97 54.06 1ad9 s GLU 95 Cb -0.10 -2.31 -0.12 0.00 0.26 0.00 0.00 34.13 31.86 1ad9 s GLU 95 CO 0.34 -1.00 1.51 1.17 -0.54 0.00 0.00 175.26 176.74 1ad9 n LYS 96 N 4.52 2.55 0.00 4.30 4.81 -0.19 -3.59 118.16 130.57 1ad9 n LYS 96 Ca 0.01 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 1ad9 n LYS 96 Cb 0.41 -2.63 0.00 0.00 0.02 0.00 0.00 35.03 32.82 1ad9 n LYS 96 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ad9 n THR 97 N 1.44 0.07 0.17 3.15 -2.24 -1.26 -1.48 114.28 114.13 1ad9 n THR 97 Ca 0.06 -0.07 -0.07 0.00 -2.27 0.00 0.00 64.05 61.70 1ad9 n THR 97 Cb 0.37 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.61 1ad9 n THR 97 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1ad9 h THR 98 N 2.61 0.00 -0.19 4.28 2.02 -1.91 -3.44 112.91 116.28 1ad9 h THR 98 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1ad9 h THR 98 Cb 0.92 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1ad9 h THR 98 CO 0.00 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.67 1ad9 n TYR 99 N -3.24 0.23 -4.06 3.16 4.01 -1.26 -5.23 117.16 110.78 1ad9 n TYR 99 Ca -0.05 -0.15 -0.35 0.00 -0.16 0.00 0.00 57.90 57.19 1ad9 n TYR 99 Cb 0.17 -0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.09 1ad9 n TYR 99 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1ad9 s TYR 100 N -1.36 3.18 -0.25 -0.72 1.51 -1.25 -5.28 117.35 113.18 1ad9 s TYR 100 Ca 0.26 -0.08 -0.07 0.00 -1.01 0.00 0.00 57.07 56.18 1ad9 s TYR 100 Cb 0.17 -2.08 0.12 0.00 -0.11 0.00 0.00 41.96 40.06 1ad9 s TYR 100 CO 0.24 0.04 0.51 0.00 -1.11 0.00 0.00 175.55 175.23 1ad9 s ALA 100 N 0.56 -1.57 -1.31 3.71 0.00 -0.55 -4.99 121.76 117.60 1ad9 s ALA 100 Ca 0.02 1.78 -0.11 0.00 0.00 0.00 0.00 51.96 53.65 1ad9 s ALA 100 Cb -0.13 -1.60 0.13 0.00 0.00 0.00 0.00 23.12 21.52 1ad9 s ALA 100 CO 0.01 -0.92 1.89 -0.12 0.00 0.00 0.00 175.76 176.62 1ad9 n MET 100 N 5.41 3.40 0.02 0.00 1.56 -1.26 -1.02 117.12 125.23 1ad9 n MET 100 Ca -0.09 -3.35 -0.12 0.00 -0.27 0.00 0.00 57.70 53.87 1ad9 n MET 100 Cb 0.49 -3.05 -0.09 0.00 2.15 0.00 0.00 33.22 32.72 1ad9 n MET 100 CO 0.00 0.00 0.00 0.38 -0.73 0.00 0.00 175.97 175.62 1ad9 h ASP 101 N 6.07 -0.09 -3.46 6.12 2.03 -1.95 -3.46 116.42 121.69 1ad9 h ASP 101 Ca 0.43 -0.48 -0.61 0.00 -0.73 0.00 0.00 57.03 55.64 1ad9 h ASP 101 Cb 0.67 0.02 -0.14 0.00 -0.83 0.00 0.00 39.33 39.06 1ad9 h ASP 101 CO 1.63 0.47 -0.51 -0.31 -1.03 0.00 0.00 179.24 179.49 1ad9 s TYR 102 N -3.74 3.34 0.16 4.15 1.51 -1.26 -5.01 117.35 116.49 1ad9 s TYR 102 Ca -0.15 0.24 0.09 0.00 -1.01 0.00 0.00 57.07 56.23 1ad9 s TYR 102 Cb 0.01 -2.22 -0.04 0.00 -0.11 0.00 0.00 41.96 39.60 1ad9 s TYR 102 CO 0.60 0.14 -0.11 -1.58 -1.11 0.00 0.00 175.55 173.49 1ad9 s TRP 103 N 0.79 2.63 0.56 2.71 0.52 -1.26 -1.62 118.94 123.27 1ad9 s TRP 103 Ca 0.07 -0.22 -0.10 0.00 0.02 0.00 0.00 56.10 55.87 1ad9 s TRP 103 Cb -0.13 -1.31 -0.05 0.00 -1.15 0.00 0.00 33.47 30.84 1ad9 s TRP 103 CO 0.02 0.49 0.95 0.20 0.02 0.00 0.00 176.95 178.63 1ad9 s GLY 104 N -2.68 1.70 0.65 0.98 0.00 -0.03 -4.47 107.32 103.47 1ad9 s GLY 104 Ca 0.24 -0.16 0.43 0.00 0.00 0.00 0.00 44.72 45.23 1ad9 s GLY 104 CO 0.14 0.08 2.32 0.06 0.00 0.00 0.00 173.10 175.71 1ad9 h GLN 105 N 0.08 0.00 0.00 2.90 -0.00 -1.90 -3.43 115.11 112.75 1ad9 h GLN 105 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 1ad9 h GLN 105 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.67 1ad9 h GLN 105 CO 0.62 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.86 1ad9 n GLY 106 N -0.92 2.44 2.69 0.06 0.00 -1.26 -5.06 105.19 103.14 1ad9 n GLY 106 Ca -0.02 -1.75 -0.25 0.00 0.00 0.00 0.00 46.02 43.99 1ad9 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ad9 s THR 107 N -2.05 0.20 0.09 2.61 2.01 -0.68 -4.86 115.64 112.95 1ad9 s THR 107 Ca 0.00 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 1ad9 s THR 107 Cb 0.00 -0.67 -0.06 0.00 0.01 0.00 0.00 72.50 71.78 1ad9 s THR 107 CO 0.00 -0.11 1.09 -0.22 -0.69 0.00 0.00 174.62 174.69 1ad9 s LEU 108 N 2.02 4.42 -0.31 4.42 2.96 -1.26 -0.82 118.68 130.11 1ad9 s LEU 108 Ca 0.02 1.93 0.02 0.00 -0.22 0.00 0.00 54.13 55.88 1ad9 s LEU 108 Cb -0.15 -3.59 0.09 0.00 0.50 0.00 0.00 46.19 43.04 1ad9 s LEU 108 CO -0.07 -0.29 0.03 -0.69 -1.32 0.00 0.00 176.35 174.01 1ad9 s VAL 109 N 0.50 1.78 -0.38 1.68 1.01 -0.48 -1.41 120.40 123.11 1ad9 s VAL 109 Ca 0.53 -1.86 -0.18 0.00 0.00 0.00 0.00 61.98 60.46 1ad9 s VAL 109 Cb -0.27 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 33.87 1ad9 s VAL 109 CO 0.31 -0.50 0.52 -0.89 0.00 0.00 0.00 175.10 174.54 1ad9 s THR 110 N 1.18 5.00 -0.64 3.92 2.01 -0.43 -2.25 115.64 124.44 1ad9 s THR 110 Ca 0.06 0.18 -0.17 0.00 0.31 0.00 0.00 61.69 62.08 1ad9 s THR 110 Cb -0.19 -4.02 0.14 0.00 0.01 0.00 0.00 72.50 68.45 1ad9 s THR 110 CO -0.12 -0.32 0.65 -0.69 -0.69 0.00 0.00 174.62 173.45 1ad9 s VAL 111 N 2.42 5.16 0.12 3.82 1.01 -1.26 -0.98 120.40 130.68 1ad9 s VAL 111 Ca 0.18 -1.56 0.04 0.00 0.00 0.00 0.00 61.98 60.64 1ad9 s VAL 111 Cb -0.15 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 1ad9 s VAL 111 CO 0.14 -1.01 -0.11 -0.55 0.00 0.00 0.00 175.10 173.57 1ad9 s SER 112 N 3.31 1.64 0.00 3.32 0.15 -0.20 -4.42 113.70 117.50 1ad9 s SER 112 Ca 0.10 -0.87 0.12 0.00 0.70 0.00 0.00 55.95 56.00 1ad9 s SER 112 Cb -0.23 -0.01 0.02 0.00 -1.71 0.00 0.00 66.02 64.09 1ad9 s SER 112 CO 0.01 -0.26 0.75 -0.24 1.20 0.00 0.00 173.24 174.69 1ad9 n SER 113 N 0.33 1.51 -4.44 5.45 2.88 -1.26 -3.69 113.62 114.40 1ad9 n SER 113 Ca -0.14 -1.26 -0.29 0.00 -1.33 0.00 0.00 58.87 55.85 1ad9 n SER 113 Cb 0.58 0.35 0.16 0.00 -0.75 0.00 0.00 64.21 64.56 1ad9 n SER 113 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ad9 s ALA 114 N -1.41 1.80 0.08 -1.46 0.00 -1.26 -5.08 121.76 114.44 1ad9 s ALA 114 Ca 0.11 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.30 1ad9 s ALA 114 Cb 0.10 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 1ad9 s ALA 114 CO 0.26 -2.49 -0.10 0.45 0.00 0.00 0.00 175.76 173.88 1ad9 s SER 115 N -4.32 1.38 -0.25 0.00 0.15 -1.26 -5.09 113.70 104.31 1ad9 s SER 115 Ca 0.68 -0.72 -0.40 0.00 0.70 0.00 0.00 55.95 56.20 1ad9 s SER 115 Cb -0.10 0.00 -0.16 0.00 -1.71 0.00 0.00 66.02 64.05 1ad9 s SER 115 CO 0.53 -0.21 1.68 0.41 1.20 0.00 0.00 173.24 176.85 1ad9 n THR 116 N 0.88 0.25 -3.75 6.45 -1.04 -1.26 -4.69 114.28 111.12 1ad9 n THR 116 Ca -0.18 -0.04 -0.15 0.00 -2.04 0.00 0.00 64.05 61.63 1ad9 n THR 116 Cb 0.56 -1.11 -0.16 0.00 -1.82 0.00 0.00 70.33 67.80 1ad9 n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1ad9 s LYS 117 N 3.13 0.01 0.66 -2.82 2.20 -0.20 -4.94 119.74 117.78 1ad9 s LYS 117 Ca 0.97 0.29 -0.14 0.00 -0.36 0.00 0.00 55.97 56.73 1ad9 s LYS 117 Cb -1.09 -0.24 -0.00 0.00 -1.51 0.00 0.00 37.83 34.99 1ad9 s LYS 117 CO 0.65 -0.19 1.10 0.20 -0.36 0.00 0.00 175.35 176.75 1ad9 s GLY 118 N 1.26 2.08 0.69 5.54 0.00 -1.26 -1.34 107.32 114.28 1ad9 s GLY 118 Ca -0.07 0.46 -0.06 0.00 0.00 0.00 0.00 44.72 45.06 1ad9 s GLY 118 CO -0.04 0.81 0.99 2.56 0.00 0.00 0.00 173.10 177.41 1ad9 s PRO 119 N -4.22 2.20 -0.23 2.90 0.04 -1.25 -4.61 135.00 129.82 1ad9 s PRO 119 Ca 0.65 -0.36 -0.03 0.00 0.04 0.00 0.00 61.00 61.30 1ad9 s PRO 119 Cb -0.19 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 32.14 1ad9 s PRO 119 CO 0.43 -1.20 -0.05 -1.12 0.04 0.00 0.00 177.00 175.11 1ad9 s SER 120 N -4.52 4.30 -0.20 6.66 0.01 -0.64 -4.96 113.70 114.35 1ad9 s SER 120 Ca 0.60 -0.59 -0.19 0.00 1.31 0.00 0.00 55.95 57.09 1ad9 s SER 120 Cb -0.10 -1.71 -0.03 0.00 0.21 0.00 0.00 66.02 64.38 1ad9 s SER 120 CO 0.44 -0.07 0.53 -0.69 0.41 0.00 0.00 173.24 173.86 1ad9 s VAL 121 N 1.42 5.10 0.03 3.43 1.01 -1.26 -1.73 120.40 128.39 1ad9 s VAL 121 Ca 0.04 0.96 0.08 0.00 0.00 0.00 0.00 61.98 63.06 1ad9 s VAL 121 Cb -0.15 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1ad9 s VAL 121 CO -0.04 0.17 -0.22 -0.36 0.00 0.00 0.00 175.10 174.65 1ad9 s PHE 122 N 1.70 2.46 0.14 5.22 0.08 0.18 -4.95 117.98 122.82 1ad9 s PHE 122 Ca 0.24 -0.32 -0.30 0.00 0.12 0.00 0.00 56.93 56.67 1ad9 s PHE 122 Cb -0.15 -1.46 -0.07 0.00 -0.57 0.00 0.00 43.02 40.77 1ad9 s PHE 122 CO 0.10 0.17 1.02 -1.25 -0.10 0.00 0.00 175.22 175.16 1ad9 s PRO 123 N -1.21 4.66 -0.36 0.24 0.04 -1.26 0.53 135.00 137.64 1ad9 s PRO 123 Ca 0.13 1.57 -0.05 0.00 0.04 0.00 0.00 61.00 62.68 1ad9 s PRO 123 Cb -0.10 -3.33 0.06 0.00 0.04 0.00 0.00 34.50 31.17 1ad9 s PRO 123 CO 0.03 0.16 0.13 -0.51 0.04 0.00 0.00 177.00 176.85 1ad9 s LEU 124 N -0.19 4.57 -0.00 -3.56 1.02 0.15 -4.82 118.68 115.85 1ad9 s LEU 124 Ca 0.48 -1.41 -0.11 0.00 0.02 0.00 0.00 54.13 53.11 1ad9 s LEU 124 Cb -0.26 -1.85 0.01 0.00 0.02 0.00 0.00 46.19 44.11 1ad9 s LEU 124 CO 0.32 -0.40 0.22 0.00 0.02 0.00 0.00 176.35 176.51 1ad9 s ALA 125 N 1.32 -0.53 0.78 4.21 0.00 -1.26 0.40 121.76 126.68 1ad9 s ALA 125 Ca 0.00 0.07 -0.14 0.00 0.00 0.00 0.00 51.96 51.90 1ad9 s ALA 125 Cb -0.21 0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.08 1ad9 s ALA 125 CO 0.00 -0.23 1.23 -1.25 0.00 0.00 0.00 175.76 175.51 1ad9 s PRO 126 N -1.36 1.76 0.15 0.00 0.04 -1.26 -4.93 135.00 129.40 1ad9 s PRO 126 Ca -0.14 1.83 -0.21 0.00 0.04 0.00 0.00 61.00 62.52 1ad9 s PRO 126 Cb -0.07 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.73 1ad9 s PRO 126 CO 0.03 -2.14 1.65 0.00 0.04 0.00 0.00 177.00 176.58 1ad9 s SER 128 N -5.10 0.07 0.07 0.00 1.04 -1.26 -5.12 113.70 103.39 1ad9 s SER 128 Ca -0.14 0.03 -0.32 0.00 0.48 0.00 0.00 55.95 56.00 1ad9 s SER 128 Cb 0.12 -0.06 -0.11 0.00 0.10 0.00 0.00 66.02 66.07 1ad9 s SER 128 CO 0.69 -0.11 1.83 -1.14 0.98 0.00 0.00 173.24 175.49 1ad9 n ARG 129 N 4.02 2.57 -4.89 4.02 0.63 -1.26 -4.99 116.66 116.75 1ad9 n ARG 129 Ca -0.25 0.94 -0.33 0.00 -0.92 0.00 0.00 57.85 57.29 1ad9 n ARG 129 Cb 0.52 -2.81 -0.14 0.00 0.45 0.00 0.00 32.46 30.47 1ad9 n ARG 129 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1ad9 s SER 130 N 3.02 3.90 0.00 6.15 0.01 -1.26 -5.00 113.70 120.52 1ad9 s SER 130 Ca 0.85 -0.29 0.25 0.00 1.31 0.00 0.00 55.95 58.07 1ad9 s SER 130 Cb -0.55 -1.18 0.49 0.00 0.21 0.00 0.00 66.02 64.99 1ad9 s SER 130 CO 0.41 0.25 1.40 0.41 0.41 0.00 0.00 173.24 176.13 1ad9 n THR 131 N 2.92 0.00 -0.27 1.44 -1.04 -1.26 -4.28 114.28 111.78 1ad9 n THR 131 Ca -0.18 -0.15 -0.04 0.00 -2.04 0.00 0.00 64.05 61.65 1ad9 n THR 131 Cb 0.52 0.63 0.08 0.00 -1.82 0.00 0.00 70.33 69.74 1ad9 n THR 131 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1ad9 h SER 132 N 1.37 0.83 -3.33 8.00 4.64 -2.01 -3.43 113.55 119.61 1ad9 h SER 132 Ca 0.00 -0.01 -0.51 0.00 -0.47 0.00 0.00 61.79 60.80 1ad9 h SER 132 Cb 0.57 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1ad9 h SER 132 CO 0.00 0.58 -0.05 -0.70 -0.87 0.00 0.00 176.83 175.79 1ad9 s GLU 133 N -6.12 3.65 -0.03 4.77 2.56 -1.26 -5.03 118.70 117.23 1ad9 s GLU 133 Ca -0.13 0.11 -0.22 0.00 0.00 0.00 0.00 54.97 54.73 1ad9 s GLU 133 Cb 0.15 -2.55 -0.25 0.00 2.00 0.00 0.00 34.13 33.48 1ad9 s GLU 133 CO 0.78 0.10 1.02 1.03 -0.56 0.00 0.00 175.26 177.62 1ad9 h SER 134 N 1.33 0.40 -4.06 -1.70 0.87 -1.93 -3.44 113.55 105.02 1ad9 h SER 134 Ca -0.48 -0.82 -0.69 0.00 -1.23 0.00 0.00 61.79 58.57 1ad9 h SER 134 Cb 1.19 -0.12 -0.24 0.00 -0.44 0.00 0.00 62.40 62.79 1ad9 h SER 134 CO 0.65 1.17 -0.78 0.42 -0.53 0.00 0.00 176.83 177.76 1ad9 s THR 135 N -2.96 3.01 0.13 2.23 -4.23 -1.26 -1.73 115.64 110.83 1ad9 s THR 135 Ca -0.14 -0.75 0.08 0.00 -1.18 0.00 0.00 61.69 59.69 1ad9 s THR 135 Cb 0.02 -2.17 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 1ad9 s THR 135 CO 0.79 0.58 -0.10 0.00 -0.54 0.00 0.00 174.62 175.36 1ad9 s ALA 136 N -0.73 2.94 0.02 3.99 0.00 0.12 -4.79 121.76 123.31 1ad9 s ALA 136 Ca 0.11 -1.34 0.08 0.00 0.00 0.00 0.00 51.96 50.81 1ad9 s ALA 136 Cb -0.11 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 1ad9 s ALA 136 CO 0.01 0.57 -0.22 0.00 0.00 0.00 0.00 175.76 176.12 1ad9 s ALA 137 N -1.40 2.41 0.08 0.00 0.00 -1.26 -0.25 121.76 121.34 1ad9 s ALA 137 Ca 0.22 -1.17 -0.18 0.00 0.00 0.00 0.00 51.96 50.83 1ad9 s ALA 137 Cb -0.10 -0.65 0.04 0.00 0.00 0.00 0.00 23.12 22.41 1ad9 s ALA 137 CO 0.14 0.55 0.42 -0.48 0.00 0.00 0.00 175.76 176.39 1ad9 s LEU 138 N -1.11 0.35 0.00 0.00 0.05 -0.61 -4.51 118.68 112.85 1ad9 s LEU 138 Ca 0.12 -0.13 0.00 0.00 0.05 0.00 0.00 54.13 54.17 1ad9 s LEU 138 Cb -0.10 1.83 0.00 0.00 -2.05 0.00 0.00 46.19 45.87 1ad9 s LEU 138 CO 0.02 -0.76 0.00 0.61 -0.55 0.00 0.00 176.35 175.67 1ad9 n GLY 139 N 0.15 2.90 2.80 -3.48 0.00 0.16 -0.09 105.19 107.62 1ad9 n GLY 139 Ca -0.17 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.03 1ad9 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ad9 s LEU 141 N 1.15 4.70 -0.76 0.00 2.96 0.19 -1.19 118.68 125.74 1ad9 s LEU 141 Ca -0.08 -0.50 -0.17 0.00 -0.22 0.00 0.00 54.13 53.16 1ad9 s LEU 141 Cb -0.13 -2.41 0.15 0.00 0.50 0.00 0.00 46.19 44.31 1ad9 s LEU 141 CO -0.04 -0.52 0.83 -0.69 -1.32 0.00 0.00 176.35 174.61 1ad9 s VAL 142 N 2.16 5.06 0.24 1.68 1.01 0.64 -0.64 120.40 130.54 1ad9 s VAL 142 Ca 0.13 -1.64 0.03 0.00 0.00 0.00 0.00 61.98 60.50 1ad9 s VAL 142 Cb -0.17 -4.56 -0.03 0.00 0.00 0.00 0.00 36.38 31.62 1ad9 s VAL 142 CO 0.13 -1.19 0.38 -0.75 0.00 0.00 0.00 175.10 173.68 1ad9 s LYS 143 N 1.85 3.45 -0.21 2.72 2.20 -0.71 -1.74 119.74 127.31 1ad9 s LYS 143 Ca 0.19 -0.63 -0.18 0.00 -0.36 0.00 0.00 55.97 54.99 1ad9 s LYS 143 Cb -0.15 -2.86 0.03 0.00 -1.51 0.00 0.00 37.83 33.34 1ad9 s LYS 143 CO -0.03 0.39 0.31 -0.25 -0.36 0.00 0.00 175.35 175.41 1ad9 n ASP 144 N -1.28 -6.07 -3.95 1.43 8.00 -0.88 -1.61 116.55 112.19 1ad9 n ASP 144 Ca -0.08 0.15 -0.09 0.00 0.71 0.00 0.00 54.79 55.48 1ad9 n ASP 144 Cb 0.56 -1.61 -0.08 0.00 -0.02 0.00 0.00 41.12 39.98 1ad9 n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1ad9 s TYR 145 N -1.21 0.37 -0.28 1.24 1.13 -0.76 -3.96 117.35 113.87 1ad9 s TYR 145 Ca 0.18 -0.78 -0.22 0.00 -1.41 0.00 0.00 57.07 54.84 1ad9 s TYR 145 Cb -0.02 -0.14 0.10 0.00 -1.10 0.00 0.00 41.96 40.80 1ad9 s TYR 145 CO 0.41 -0.59 0.88 0.12 -2.51 0.00 0.00 175.55 173.86 1ad9 s PHE 146 N -3.93 -0.68 0.00 -3.49 2.19 -0.45 -0.25 117.98 111.37 1ad9 s PHE 146 Ca 0.12 1.53 0.00 0.00 0.33 0.00 0.00 56.93 58.91 1ad9 s PHE 146 Cb 0.05 0.38 0.00 0.00 -1.31 0.00 0.00 43.02 42.14 1ad9 s PHE 146 CO -0.05 -0.33 0.00 -0.35 1.83 0.00 0.00 175.22 176.32 1ad9 n PRO 147 N 2.94 3.58 -3.49 10.12 -0.04 -1.26 -1.03 135.00 145.81 1ad9 n PRO 147 Ca -0.15 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.03 1ad9 n PRO 147 Cb 0.56 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.99 1ad9 n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ad9 s GLU 148 N 2.93 3.58 0.06 0.54 0.41 -1.26 -4.80 118.70 120.15 1ad9 s GLU 148 Ca 0.00 -0.16 0.00 0.00 -0.41 0.00 0.00 54.97 54.40 1ad9 s GLU 148 Cb 0.00 -2.73 -0.00 0.00 -1.78 0.00 0.00 34.13 29.62 1ad9 s GLU 148 CO 0.00 0.29 0.00 -0.35 -0.49 0.00 0.00 175.26 174.71 1ad9 n PRO 149 N -0.87 1.61 -4.59 0.39 -0.04 -1.26 -4.98 135.00 125.26 1ad9 n PRO 149 Ca -0.03 -0.44 -0.22 0.00 -0.04 0.00 0.00 63.50 62.76 1ad9 n PRO 149 Cb 0.54 0.15 -0.15 0.00 -0.04 0.00 0.00 33.50 34.00 1ad9 n PRO 149 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ad9 s VAL 150 N -1.35 1.19 -0.30 0.52 -7.23 -1.26 -4.49 120.40 107.48 1ad9 s VAL 150 Ca 0.01 -0.78 -0.04 0.00 -1.81 0.00 0.00 61.98 59.36 1ad9 s VAL 150 Cb 0.00 -1.02 0.04 0.00 0.56 0.00 0.00 36.38 35.96 1ad9 s VAL 150 CO 0.00 0.23 0.03 0.42 -0.31 0.00 0.00 175.10 175.47 1ad9 s THR 151 N -0.52 3.33 -0.08 5.32 -4.23 -0.25 -4.92 115.64 114.29 1ad9 s THR 151 Ca 0.05 -1.16 -0.09 0.00 -1.18 0.00 0.00 61.69 59.31 1ad9 s THR 151 Cb -0.07 -2.84 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 1ad9 s THR 151 CO 0.00 -0.05 0.22 -0.69 -0.54 0.00 0.00 174.62 173.56 1ad9 s VAL 152 N 1.34 5.37 0.25 2.29 1.01 -1.26 -1.90 120.40 127.50 1ad9 s VAL 152 Ca -0.02 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.32 1ad9 s VAL 152 Cb -0.19 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1ad9 s VAL 152 CO -0.00 0.58 0.20 -0.94 0.00 0.00 0.00 175.10 174.94 1ad9 s SER 153 N -1.13 0.68 -0.04 3.32 1.04 -1.09 -4.96 113.70 111.52 1ad9 s SER 153 Ca 0.19 -1.50 0.02 0.00 0.48 0.00 0.00 55.95 55.14 1ad9 s SER 153 Cb -0.13 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.45 1ad9 s SER 153 CO 0.08 -0.94 -0.08 0.26 0.98 0.00 0.00 173.24 173.53 1ad9 s TRP 154 N -3.88 0.98 -1.57 5.02 0.52 -1.26 -0.97 118.94 117.79 1ad9 s TRP 154 Ca 0.39 -0.28 -0.14 0.00 0.02 0.00 0.00 56.10 56.08 1ad9 s TRP 154 Cb 0.05 -0.74 0.10 0.00 -1.15 0.00 0.00 33.47 31.73 1ad9 s TRP 154 CO 0.17 -0.16 0.91 0.09 0.02 0.00 0.00 176.95 177.99 1ad9 n ASN 155 N 3.60 -4.19 -3.12 2.95 3.02 0.23 -0.91 115.26 116.85 1ad9 n ASN 155 Ca -0.21 -0.85 -0.22 0.00 -0.03 0.00 0.00 54.58 53.27 1ad9 n ASN 155 Cb 0.53 -3.58 0.01 0.00 -0.61 0.00 0.00 39.78 36.13 1ad9 n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ad9 n SER 156 N -2.80 -4.91 0.00 6.41 7.64 -1.26 -1.54 113.62 117.16 1ad9 n SER 156 Ca 0.03 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.61 1ad9 n SER 156 Cb 0.53 -4.02 0.00 0.00 -1.01 0.00 0.00 64.21 59.71 1ad9 n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ad9 n GLY 157 N -1.31 0.64 0.16 0.23 0.00 -0.08 -4.93 105.19 99.89 1ad9 n GLY 157 Ca -0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.96 1ad9 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ad9 h ALA 158 N 0.00 1.00 -3.43 4.61 0.00 -1.17 -3.40 119.26 116.88 1ad9 h ALA 158 Ca 0.00 -0.47 -0.69 0.00 0.00 0.00 0.00 54.91 53.75 1ad9 h ALA 158 Cb 0.00 -0.08 -0.32 0.00 0.00 0.00 0.00 17.79 17.39 1ad9 h ALA 158 CO 0.00 0.65 -0.68 -1.17 0.00 0.00 0.00 179.25 178.05 1ad9 s LEU 159 N -7.43 4.03 0.00 0.00 2.96 -1.09 -4.92 118.68 112.23 1ad9 s LEU 159 Ca -0.01 -1.28 0.00 0.00 -0.22 0.00 0.00 54.13 52.62 1ad9 s LEU 159 Cb 0.12 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 45.07 1ad9 s LEU 159 CO 0.73 -0.28 0.00 0.35 -1.32 0.00 0.00 176.35 175.83 1ad9 n THR 160 N 4.66 0.00 -2.27 3.68 -2.24 -1.26 -4.09 114.28 112.76 1ad9 n THR 160 Ca -0.13 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 1ad9 n THR 160 Cb 0.43 -0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 1ad9 n THR 160 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ad9 s SER 161 N -3.42 6.93 0.00 3.42 1.04 -1.26 -2.83 113.70 117.57 1ad9 s SER 161 Ca 0.00 2.23 0.00 0.00 0.48 0.00 0.00 55.95 58.66 1ad9 s SER 161 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1ad9 s SER 161 CO 0.00 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1ad9 n GLY 162 N 3.20 1.17 3.76 7.32 0.00 -1.26 -4.84 105.19 114.54 1ad9 n GLY 162 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1ad9 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ad9 s VAL 163 N -2.95 3.67 -0.29 1.61 1.01 -1.13 -3.68 120.40 118.65 1ad9 s VAL 163 Ca 0.00 1.68 -0.03 0.00 0.00 0.00 0.00 61.98 63.63 1ad9 s VAL 163 Cb 0.00 -4.07 0.10 0.00 0.00 0.00 0.00 36.38 32.41 1ad9 s VAL 163 CO 0.00 0.40 0.12 -1.00 0.00 0.00 0.00 175.10 174.62 1ad9 s HIS 164 N -1.15 0.65 -0.44 5.22 3.76 0.24 -5.00 115.29 118.57 1ad9 s HIS 164 Ca 0.43 -1.05 -0.17 0.00 -0.15 0.00 0.00 55.06 54.12 1ad9 s HIS 164 Cb -0.30 -1.08 0.03 0.00 1.11 0.00 0.00 32.58 32.34 1ad9 s HIS 164 CO 0.38 -0.82 0.45 0.99 -0.85 0.00 0.00 174.74 174.89 1ad9 s THR 165 N 1.98 5.08 0.65 1.30 2.01 -1.26 -1.55 115.64 123.85 1ad9 s THR 165 Ca 0.09 -0.44 -0.14 0.00 0.31 0.00 0.00 61.69 61.50 1ad9 s THR 165 Cb -0.16 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.26 1ad9 s THR 165 CO -0.32 -0.48 1.08 -0.36 -0.69 0.00 0.00 174.62 173.85 1ad9 s PHE 166 N 2.13 2.85 0.38 4.92 0.40 -0.84 -5.01 117.98 122.81 1ad9 s PHE 166 Ca 0.11 1.52 -0.26 0.00 -0.60 0.00 0.00 56.93 57.70 1ad9 s PHE 166 Cb -0.18 -3.05 -0.09 0.00 0.51 0.00 0.00 43.02 40.22 1ad9 s PHE 166 CO 0.13 -1.38 1.15 -1.25 0.70 0.00 0.00 175.22 174.57 1ad9 s PRO 167 N -4.29 4.18 0.64 0.24 0.04 -1.26 -4.59 135.00 129.96 1ad9 s PRO 167 Ca 0.64 1.82 -0.18 0.00 0.04 0.00 0.00 61.00 63.32 1ad9 s PRO 167 Cb -0.17 -2.77 -0.02 0.00 0.04 0.00 0.00 34.50 31.58 1ad9 s PRO 167 CO 0.43 -0.20 1.24 0.00 0.04 0.00 0.00 177.00 178.50 1ad9 n ALA 168 N 0.29 0.98 -2.56 8.56 0.00 -1.26 -4.82 120.51 121.70 1ad9 n ALA 168 Ca 0.03 -0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.15 1ad9 n ALA 168 Cb 0.46 -2.29 -0.16 0.00 0.00 0.00 0.00 19.45 17.46 1ad9 n ALA 168 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ad9 s VAL 169 N -1.41 2.15 -0.28 0.00 1.01 -0.81 -4.93 120.40 116.13 1ad9 s VAL 169 Ca 0.82 -1.05 -0.24 0.00 0.00 0.00 0.00 61.98 61.51 1ad9 s VAL 169 Cb -0.38 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.22 1ad9 s VAL 169 CO 0.41 0.57 0.80 -0.22 0.00 0.00 0.00 175.10 176.67 1ad9 s LEU 170 N -0.36 4.08 0.57 3.92 2.96 -1.26 -2.07 118.68 126.51 1ad9 s LEU 170 Ca 0.02 0.80 -0.09 0.00 -0.22 0.00 0.00 54.13 54.65 1ad9 s LEU 170 Cb -0.12 -3.12 -0.04 0.00 0.50 0.00 0.00 46.19 43.42 1ad9 s LEU 170 CO 0.02 -0.58 0.93 -1.10 -1.32 0.00 0.00 176.35 174.30 1ad9 s GLN 171 N 2.92 3.54 0.66 1.98 -0.21 -0.47 -4.94 119.66 123.15 1ad9 s GLN 171 Ca 0.33 0.50 0.39 0.00 0.02 0.00 0.00 55.36 56.61 1ad9 s GLN 171 Cb -0.14 -2.20 2.13 0.00 1.00 0.00 0.00 33.01 33.79 1ad9 s GLN 171 CO 0.11 -0.44 2.21 0.66 -2.12 0.00 0.00 175.29 175.71 1ad9 h SER 172 N -0.11 0.00 0.88 5.90 4.64 -1.96 0.51 113.55 123.40 1ad9 h SER 172 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1ad9 h SER 172 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ad9 h SER 172 CO 0.62 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.04 1ad9 n SER 173 N -3.06 0.34 0.00 4.97 3.41 -1.26 -4.86 113.62 113.16 1ad9 n SER 173 Ca -0.02 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1ad9 n SER 173 Cb 0.19 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 1ad9 n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ad9 n GLY 174 N 0.62 0.72 3.49 5.00 0.00 0.17 -4.92 105.19 110.27 1ad9 n GLY 174 Ca 0.04 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1ad9 n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ad9 s LEU 175 N 0.00 2.74 0.60 0.99 1.43 -1.25 -4.73 118.68 118.45 1ad9 s LEU 175 Ca 0.00 -0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 52.65 1ad9 s LEU 175 Cb 0.00 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 1ad9 s LEU 175 CO 0.00 0.26 0.98 -0.31 0.23 0.00 0.00 176.35 177.51 1ad9 s TYR 176 N -0.94 3.57 -0.30 0.29 2.02 0.65 -1.37 117.35 121.28 1ad9 s TYR 176 Ca 0.15 1.13 -0.12 0.00 -0.37 0.00 0.00 57.07 57.86 1ad9 s TYR 176 Cb -0.11 -2.67 0.13 0.00 -0.40 0.00 0.00 41.96 38.91 1ad9 s TYR 176 CO 0.06 -0.66 0.74 0.45 -1.57 0.00 0.00 175.55 174.57 1ad9 s SER 177 N -4.19 -0.96 0.17 2.29 0.15 -0.88 -1.82 113.70 108.46 1ad9 s SER 177 Ca 0.54 1.37 0.00 0.00 0.70 0.00 0.00 55.95 58.56 1ad9 s SER 177 Cb -0.11 1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 66.10 1ad9 s SER 177 CO 0.51 -0.20 0.06 -1.48 1.20 0.00 0.00 173.24 173.33 1ad9 s LEU 178 N 2.47 1.77 0.03 3.45 0.05 -0.71 -1.93 118.68 123.82 1ad9 s LEU 178 Ca -0.06 -1.25 0.04 0.00 0.05 0.00 0.00 54.13 52.92 1ad9 s LEU 178 Cb -0.09 0.17 -0.02 0.00 -2.05 0.00 0.00 46.19 44.20 1ad9 s LEU 178 CO -0.19 -0.70 -0.13 -0.94 -0.55 0.00 0.00 176.35 173.84 1ad9 s SER 179 N -3.13 1.55 -0.07 1.48 1.04 -1.26 -0.26 113.70 113.05 1ad9 s SER 179 Ca 0.28 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.34 1ad9 s SER 179 Cb 0.07 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.07 1ad9 s SER 179 CO 0.05 0.04 -0.22 -0.55 0.98 0.00 0.00 173.24 173.54 1ad9 s SER 180 N -1.00 3.30 0.14 7.02 0.15 -0.33 -1.98 113.70 120.99 1ad9 s SER 180 Ca 0.01 -0.45 0.04 0.00 0.70 0.00 0.00 55.95 56.25 1ad9 s SER 180 Cb -0.07 -0.94 -0.04 0.00 -1.71 0.00 0.00 66.02 63.25 1ad9 s SER 180 CO 0.01 0.25 -0.08 0.68 1.20 0.00 0.00 173.24 175.29 1ad9 s VAL 181 N -0.17 1.02 -0.12 4.45 -7.23 -0.60 -0.25 120.40 117.50 1ad9 s VAL 181 Ca -0.03 -2.03 -0.08 0.00 -1.81 0.00 0.00 61.98 58.03 1ad9 s VAL 181 Cb -0.14 -1.85 0.04 0.00 0.56 0.00 0.00 36.38 34.99 1ad9 s VAL 181 CO 0.04 -0.74 0.31 -0.69 -0.31 0.00 0.00 175.10 173.71 1ad9 s VAL 182 N -3.42 -0.02 -0.18 1.32 1.01 0.86 -0.59 120.40 119.38 1ad9 s VAL 182 Ca 0.17 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.13 1ad9 s VAL 182 Cb 0.04 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 1ad9 s VAL 182 CO -0.00 0.03 0.14 0.42 0.00 0.00 0.00 175.10 175.69 1ad9 s THR 183 N 0.85 5.42 0.14 3.92 -4.23 -1.24 -1.58 115.64 118.93 1ad9 s THR 183 Ca -0.06 0.21 0.01 0.00 -1.18 0.00 0.00 61.69 60.68 1ad9 s THR 183 Cb -0.07 -3.47 -0.04 0.00 1.34 0.00 0.00 72.50 70.26 1ad9 s THR 183 CO -0.06 0.47 -0.00 0.68 -0.54 0.00 0.00 174.62 175.17 1ad9 s VAL 184 N 0.11 0.51 -0.12 2.29 -7.23 0.65 -4.84 120.40 111.77 1ad9 s VAL 184 Ca 0.10 -1.94 -0.29 0.00 -1.81 0.00 0.00 61.98 58.03 1ad9 s VAL 184 Cb -0.11 -1.96 -0.05 0.00 0.56 0.00 0.00 36.38 34.81 1ad9 s VAL 184 CO -0.01 -0.60 1.76 -2.84 -0.31 0.00 0.00 175.10 173.11 1ad9 s PRO 185 N -3.93 3.91 0.60 4.82 0.02 -1.26 0.15 135.00 139.31 1ad9 s PRO 185 Ca 0.20 2.05 0.31 0.00 0.02 0.00 0.00 61.00 63.58 1ad9 s PRO 185 Cb 0.06 -4.08 1.84 0.00 0.02 0.00 0.00 34.50 32.34 1ad9 s PRO 185 CO 0.01 -1.18 2.20 0.66 -0.33 0.00 0.00 177.00 178.36 1ad9 h SER 186 N 10.80 0.00 0.00 2.53 4.64 -1.63 -2.84 113.55 127.05 1ad9 h SER 186 Ca -0.39 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.80 1ad9 h SER 186 Cb 1.19 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 1ad9 h SER 186 CO 0.97 0.00 -0.26 -1.54 -0.87 0.00 0.00 176.83 175.13 1ad9 n SER 187 N -3.70 5.15 -0.01 4.97 3.41 -1.26 -1.90 113.62 120.28 1ad9 n SER 187 Ca -0.01 -2.43 0.00 0.00 -0.26 0.00 0.00 58.87 56.16 1ad9 n SER 187 Cb 0.18 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 62.82 1ad9 n SER 187 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ad9 n SER 188 N 2.22 0.00 -4.51 4.04 3.41 -1.07 -5.08 113.62 112.63 1ad9 n SER 188 Ca 0.30 -0.11 -0.43 0.00 -0.26 0.00 0.00 58.87 58.37 1ad9 n SER 188 Cb 0.78 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.72 1ad9 n SER 188 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ad9 s LEU 189 N 0.00 4.45 0.00 1.04 2.96 -0.80 -2.92 118.68 123.41 1ad9 s LEU 189 Ca 0.00 -2.47 0.00 0.00 -0.22 0.00 0.00 54.13 51.44 1ad9 s LEU 189 Cb 0.00 -2.48 0.00 0.00 0.50 0.00 0.00 46.19 44.21 1ad9 s LEU 189 CO 0.00 -1.03 0.00 0.61 -1.32 0.00 0.00 176.35 174.61 1ad9 n GLY 190 N 5.10 0.52 0.15 7.98 0.00 -1.26 -4.93 105.19 112.75 1ad9 n GLY 190 Ca 0.38 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.64 1ad9 n GLY 190 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ad9 h THR 191 N 0.00 0.00 -3.31 2.61 1.35 -2.00 -3.43 112.91 108.13 1ad9 h THR 191 Ca 0.00 -0.69 -0.64 0.00 -0.55 0.00 0.00 66.41 64.53 1ad9 h THR 191 Cb 0.00 1.66 -0.22 0.00 -1.73 0.00 0.00 68.15 67.86 1ad9 h THR 191 CO 0.00 0.00 -0.68 -0.75 -0.25 0.00 0.00 175.52 173.84 1ad9 s LYS 192 N -3.15 3.63 -0.06 4.72 2.47 -1.15 -5.11 119.74 121.09 1ad9 s LYS 192 Ca 0.09 -0.54 -0.16 0.00 -1.56 0.00 0.00 55.97 53.80 1ad9 s LYS 192 Cb 0.09 -2.87 -0.05 0.00 -1.46 0.00 0.00 37.83 33.54 1ad9 s LYS 192 CO 0.63 0.23 0.41 0.95 0.16 0.00 0.00 175.35 177.74 1ad9 s THR 193 N 0.37 5.12 -0.17 3.43 -4.23 -1.26 -4.82 115.64 114.09 1ad9 s THR 193 Ca -0.05 0.82 0.01 0.00 -1.18 0.00 0.00 61.69 61.29 1ad9 s THR 193 Cb -0.14 -3.73 0.02 0.00 1.34 0.00 0.00 72.50 69.99 1ad9 s THR 193 CO 0.03 0.47 -0.20 -0.31 -0.54 0.00 0.00 174.62 174.08 1ad9 s TYR 194 N -0.32 2.71 -0.03 3.99 2.02 -1.26 -4.99 117.35 119.46 1ad9 s TYR 194 Ca 0.23 -1.55 0.01 0.00 -0.37 0.00 0.00 57.07 55.39 1ad9 s TYR 194 Cb -0.16 -1.87 0.02 0.00 -0.40 0.00 0.00 41.96 39.55 1ad9 s TYR 194 CO 0.11 -0.75 -0.03 -0.08 -1.57 0.00 0.00 175.55 173.23 1ad9 s THR 195 N 1.19 0.38 -0.12 -0.71 -1.32 -1.26 -0.31 115.64 113.50 1ad9 s THR 195 Ca 0.02 -0.05 -0.14 0.00 -1.21 0.00 0.00 61.69 60.31 1ad9 s THR 195 Cb -0.14 -0.43 -0.05 0.00 -1.51 0.00 0.00 72.50 70.38 1ad9 s THR 195 CO -0.10 0.18 0.32 0.00 -2.21 0.00 0.00 174.62 172.81 1ad9 s ASN 197 N 0.00 5.89 0.03 0.00 0.02 -0.14 -1.69 114.94 119.06 1ad9 s ASN 197 Ca 0.19 -2.47 -0.24 0.00 -1.02 0.00 0.00 52.86 49.32 1ad9 s ASN 197 Cb -0.14 -2.03 -0.05 0.00 0.02 0.00 0.00 41.25 39.05 1ad9 s ASN 197 CO 0.06 -0.55 0.73 -0.69 0.02 0.00 0.00 177.10 176.68 1ad9 s VAL 198 N 0.52 4.77 -0.09 1.60 1.01 0.12 -2.66 120.40 125.68 1ad9 s VAL 198 Ca 0.13 1.56 -0.00 0.00 0.00 0.00 0.00 61.98 63.67 1ad9 s VAL 198 Cb -0.19 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.13 1ad9 s VAL 198 CO -0.04 0.37 -0.05 -0.62 0.00 0.00 0.00 175.10 174.76 1ad9 s ASP 199 N -0.04 1.82 -0.50 3.32 2.15 -0.80 -0.77 116.67 121.86 1ad9 s ASP 199 Ca 0.37 -0.21 0.04 0.00 0.43 0.00 0.00 52.55 53.18 1ad9 s ASP 199 Cb -0.20 -0.67 0.13 0.00 -0.30 0.00 0.00 42.92 41.88 1ad9 s ASP 199 CO 0.22 -0.12 0.25 -2.28 -0.17 0.00 0.00 175.17 173.07 1ad9 s HIS 200 N 1.62 2.94 0.28 -5.34 5.65 -0.48 -1.09 115.29 118.87 1ad9 s HIS 200 Ca 0.02 -3.02 0.01 0.00 0.25 0.00 0.00 55.06 52.31 1ad9 s HIS 200 Cb -0.13 -2.63 0.54 0.00 -1.18 0.00 0.00 32.58 29.18 1ad9 s HIS 200 CO -0.05 -0.75 1.83 0.87 -0.65 0.00 0.00 174.74 175.98 1ad9 h LYS 201 N 6.56 0.94 -0.70 2.88 1.57 -1.80 -1.94 116.57 124.07 1ad9 h LYS 201 Ca -0.07 -0.06 0.16 0.00 -1.87 0.00 0.00 60.65 58.82 1ad9 h LYS 201 Cb 0.90 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 1ad9 h LYS 201 CO 0.65 0.62 0.48 -1.35 -0.57 0.00 0.00 179.45 179.28 1ad9 h PRO 202 N 0.96 0.23 -0.32 3.15 0.11 -1.94 -0.99 132.00 133.22 1ad9 h PRO 202 Ca 0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1ad9 h PRO 202 Cb 0.48 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.54 1ad9 h PRO 202 CO -0.27 0.16 0.00 -1.13 -0.21 0.00 0.00 178.00 176.55 1ad9 n SER 203 N -4.43 2.84 -2.59 -2.05 3.41 -0.94 -4.97 113.62 104.89 1ad9 n SER 203 Ca 0.14 -1.93 -0.14 0.00 -0.26 0.00 0.00 58.87 56.68 1ad9 n SER 203 Cb 0.61 -0.21 -0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1ad9 n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ad9 n ASN 204 N 0.58 -4.00 -4.75 4.04 5.15 -0.38 -4.88 115.26 111.02 1ad9 n ASN 204 Ca 0.11 0.10 -0.38 0.00 -0.60 0.00 0.00 54.58 53.81 1ad9 n ASN 204 Cb 0.42 -3.38 -0.06 0.00 -0.53 0.00 0.00 39.78 36.23 1ad9 n ASN 204 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1ad9 s THR 205 N -2.69 5.14 -0.20 -0.44 2.01 -1.00 -4.99 115.64 113.48 1ad9 s THR 205 Ca 0.06 0.91 -0.02 0.00 0.31 0.00 0.00 61.69 62.95 1ad9 s THR 205 Cb -0.03 -3.78 0.06 0.00 0.01 0.00 0.00 72.50 68.75 1ad9 s THR 205 CO 0.08 0.40 0.02 -0.54 -0.69 0.00 0.00 174.62 173.89 1ad9 s LYS 206 N 0.12 0.86 -0.04 4.92 1.02 -1.26 -1.38 119.74 123.97 1ad9 s LYS 206 Ca 0.25 -0.51 0.06 0.00 0.02 0.00 0.00 55.97 55.79 1ad9 s LYS 206 Cb -0.16 -2.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.98 1ad9 s LYS 206 CO 0.11 -0.62 -0.23 0.08 -0.92 0.00 0.00 175.35 173.77 1ad9 s VAL 207 N 1.77 1.90 -0.14 3.17 1.01 0.05 -5.00 120.40 123.16 1ad9 s VAL 207 Ca -0.02 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1ad9 s VAL 207 Cb -0.17 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.62 1ad9 s VAL 207 CO -0.08 0.53 -0.21 -1.81 0.00 0.00 0.00 175.10 173.54 1ad9 s ASP 208 N -0.27 3.16 -0.21 3.32 1.01 -1.26 0.15 116.67 122.58 1ad9 s ASP 208 Ca 0.01 -0.59 0.00 0.00 0.71 0.00 0.00 52.55 52.68 1ad9 s ASP 208 Cb -0.12 -1.46 0.05 0.00 1.01 0.00 0.00 42.92 42.40 1ad9 s ASP 208 CO 0.02 0.08 -0.07 -0.75 0.21 0.00 0.00 175.17 174.66 1ad9 s LYS 209 N 0.83 1.72 -0.04 8.23 2.47 -0.68 -4.96 119.74 127.30 1ad9 s LYS 209 Ca -0.06 -0.83 -0.30 0.00 -1.56 0.00 0.00 55.97 53.21 1ad9 s LYS 209 Cb -0.15 -2.40 -0.04 0.00 -1.46 0.00 0.00 37.83 33.77 1ad9 s LYS 209 CO -0.02 -0.50 1.36 0.50 0.16 0.00 0.00 175.35 176.84 1ad9 s ARG 210 N 1.45 4.28 -0.18 4.03 3.52 -1.26 -2.48 118.95 128.31 1ad9 s ARG 210 Ca -0.03 1.87 -0.09 0.00 -0.13 0.00 0.00 55.73 57.36 1ad9 s ARG 210 Cb -0.17 -3.63 -0.05 0.00 -1.56 0.00 0.00 34.95 29.54 1ad9 s ARG 210 CO -0.07 -0.59 0.12 0.08 -0.81 0.00 0.00 175.30 174.03 1ad9 s VAL 211 N 2.64 5.33 0.00 7.11 1.01 0.58 -4.97 120.40 132.10 1ad9 s VAL 211 Ca 0.61 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1ad9 s VAL 211 Cb -0.29 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1ad9 s VAL 211 CO 0.24 0.49 0.00 1.21 0.00 0.00 0.00 175.10 177.04