#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dx9 n LYS 3 N 0.00 1.93 -4.47 0.00 4.81 -1.26 -4.93 118.16 114.25 3dx9 n LYS 3 Ca 0.00 -1.45 -0.30 0.00 -0.87 0.00 0.00 58.31 55.68 3dx9 n LYS 3 Cb 0.00 -1.47 -0.11 0.00 0.02 0.00 0.00 35.03 33.47 3dx9 n LYS 3 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3dx9 s THR 4 N -2.07 3.02 -0.02 3.15 -4.23 -1.26 -4.34 115.64 109.90 3dx9 s THR 4 Ca 0.30 -1.22 0.04 0.00 -1.18 0.00 0.00 61.69 59.63 3dx9 s THR 4 Cb 0.20 -2.33 -0.01 0.00 1.34 0.00 0.00 72.50 71.70 3dx9 s THR 4 CO 0.35 0.24 -0.14 -0.89 -0.54 0.00 0.00 174.62 173.64 3dx9 s THR 5 N -1.04 1.15 0.03 3.99 2.01 0.83 -4.96 115.64 117.64 3dx9 s THR 5 Ca 0.17 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.57 3dx9 s THR 5 Cb -0.11 -0.98 -0.02 0.00 0.01 0.00 0.00 72.50 71.40 3dx9 s THR 5 CO 0.08 0.33 -0.03 -1.10 -0.69 0.00 0.00 174.62 173.21 3dx9 s GLN 6 N -0.15 0.40 0.40 4.92 -0.21 -1.26 -0.90 119.66 122.85 3dx9 s GLN 6 Ca 0.02 -0.75 -0.27 0.00 0.02 0.00 0.00 55.36 54.38 3dx9 s GLN 6 Cb -0.08 0.09 -0.09 0.00 1.00 0.00 0.00 33.01 33.93 3dx9 s GLN 6 CO 0.00 -0.05 1.40 -2.14 -2.12 0.00 0.00 175.29 172.38 3dx9 s PRO 8 N -1.98 3.96 0.18 2.91 0.02 -1.26 -4.88 135.00 133.95 3dx9 s PRO 8 Ca -0.11 2.38 -0.09 0.00 0.02 0.00 0.00 61.00 63.20 3dx9 s PRO 8 Cb -0.06 -2.83 0.07 0.00 0.02 0.00 0.00 34.50 31.70 3dx9 s PRO 8 CO -0.03 -0.58 1.62 1.79 -0.33 0.00 0.00 177.00 179.48 3dx9 h THR 9 N 2.64 1.27 -3.79 0.99 1.35 -1.95 -3.27 112.91 110.13 3dx9 h THR 9 Ca -0.50 -1.21 -0.09 0.00 -0.55 0.00 0.00 66.41 64.05 3dx9 h THR 9 Cb 1.25 0.88 -0.13 0.00 -1.73 0.00 0.00 68.15 68.43 3dx9 h THR 9 CO 0.63 0.44 -0.29 -0.94 -0.25 0.00 0.00 175.52 175.11 3dx9 s SER 10 N -6.62 0.01 -0.28 5.36 1.04 -1.26 -3.91 113.70 108.04 3dx9 s SER 10 Ca -0.11 -0.76 -0.15 0.00 0.48 0.00 0.00 55.95 55.40 3dx9 s SER 10 Cb 0.13 0.43 0.08 0.00 0.10 0.00 0.00 66.02 66.77 3dx9 s SER 10 CO 0.86 -0.87 0.67 -0.32 0.98 0.00 0.00 173.24 174.56 3dx9 s MET 11 N -3.93 0.68 0.34 4.02 0.00 0.13 -5.00 119.30 115.54 3dx9 s MET 11 Ca 0.13 1.23 -0.12 0.00 0.00 0.00 0.00 55.69 56.93 3dx9 s MET 11 Cb 0.03 0.21 -0.08 0.00 0.00 0.00 0.00 34.83 34.99 3dx9 s MET 11 CO -0.03 -0.16 0.72 -0.51 0.00 0.00 0.00 175.02 175.05 3dx9 s ASP 12 N 1.76 6.65 -0.05 1.11 1.11 -1.26 -1.64 116.67 124.35 3dx9 s ASP 12 Ca -0.10 1.17 -0.18 0.00 0.18 0.00 0.00 52.55 53.63 3dx9 s ASP 12 Cb -0.06 -2.33 0.04 0.00 1.07 0.00 0.00 42.92 41.64 3dx9 s ASP 12 CO -0.20 -0.26 0.40 0.00 1.18 0.00 0.00 175.17 176.29 3dx9 s ALA 14 N -0.97 3.42 0.20 0.00 0.00 -1.26 -0.89 121.76 122.26 3dx9 s ALA 14 Ca -0.10 0.56 -0.30 0.00 0.00 0.00 0.00 51.96 52.12 3dx9 s ALA 14 Cb -0.04 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 3dx9 s ALA 14 CO 0.04 -0.63 1.32 -2.00 0.00 0.00 0.00 175.76 174.50 3dx9 s GLU 15 N 1.92 4.37 -0.57 0.00 -6.30 -0.06 -2.59 118.70 115.48 3dx9 s GLU 15 Ca 0.53 2.07 0.05 0.00 -2.50 0.00 0.00 54.97 55.13 3dx9 s GLU 15 Cb -0.23 -3.19 0.20 0.00 0.00 0.00 0.00 34.13 30.91 3dx9 s GLU 15 CO 0.22 -0.28 0.51 0.41 0.02 0.00 0.00 175.26 176.14 3dx9 n GLY 16 N 2.43 3.51 4.03 -1.50 0.00 -1.26 -4.66 105.19 107.75 3dx9 n GLY 16 Ca 0.07 -2.14 -0.20 0.00 0.00 0.00 0.00 46.02 43.75 3dx9 n GLY 16 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dx9 s ARG 17 N -1.22 2.26 0.27 1.61 1.70 -1.07 -4.49 118.95 118.01 3dx9 s ARG 17 Ca 0.32 -1.69 -0.30 0.00 -0.47 0.00 0.00 55.73 53.59 3dx9 s ARG 17 Cb 0.05 -2.62 -0.11 0.00 -0.57 0.00 0.00 34.95 31.70 3dx9 s ARG 17 CO -0.14 -0.91 1.51 0.00 -1.08 0.00 0.00 175.30 174.69 3dx9 s ALA 18 N -2.70 3.68 -0.18 7.88 0.00 -1.06 -2.16 121.76 127.22 3dx9 s ALA 18 Ca 0.62 1.44 -0.07 0.00 0.00 0.00 0.00 51.96 53.95 3dx9 s ALA 18 Cb -0.05 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 3dx9 s ALA 18 CO 0.39 -0.86 0.06 0.00 0.00 0.00 0.00 175.76 175.35 3dx9 s ALA 19 N -0.02 3.39 -0.32 0.00 0.00 -0.47 -4.93 121.76 119.41 3dx9 s ALA 19 Ca 0.61 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.79 3dx9 s ALA 19 Cb -0.45 -1.90 0.05 0.00 0.00 0.00 0.00 23.12 20.83 3dx9 s ALA 19 CO 0.46 0.20 0.05 -0.80 0.00 0.00 0.00 175.76 175.66 3dx9 s ASN 20 N 0.32 5.05 -0.28 0.00 -0.87 -1.26 -1.39 114.94 116.52 3dx9 s ASN 20 Ca 0.03 -1.32 -0.14 0.00 -1.57 0.00 0.00 52.86 49.86 3dx9 s ASN 20 Cb -0.12 -1.77 -0.04 0.00 -0.02 0.00 0.00 41.25 39.30 3dx9 s ASN 20 CO 0.00 -0.31 0.34 -0.76 -2.57 0.00 0.00 177.10 173.80 3dx9 s LEU 21 N 1.28 4.06 0.18 0.60 1.02 0.09 -4.92 118.68 121.00 3dx9 s LEU 21 Ca -0.03 0.21 -0.09 0.00 0.02 0.00 0.00 54.13 54.24 3dx9 s LEU 21 Cb -0.20 -2.37 -0.07 0.00 0.02 0.00 0.00 46.19 43.57 3dx9 s LEU 21 CO -0.00 -0.17 0.49 -2.16 0.02 0.00 0.00 176.35 174.53 3dx9 s PRO 22 N 2.02 3.77 -0.02 1.29 0.04 -1.26 -1.14 135.00 139.69 3dx9 s PRO 22 Ca 0.13 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.38 3dx9 s PRO 22 Cb -0.16 -2.76 0.03 0.00 0.04 0.00 0.00 34.50 31.65 3dx9 s PRO 22 CO 0.10 0.40 0.02 0.00 0.04 0.00 0.00 177.00 177.56 3dx9 s ASN 24 N 1.05 6.28 -0.45 0.00 0.02 -0.08 -1.27 114.94 120.49 3dx9 s ASN 24 Ca -0.09 0.33 0.06 0.00 -1.02 0.00 0.00 52.86 52.14 3dx9 s ASN 24 Cb -0.13 -2.08 0.21 0.00 0.02 0.00 0.00 41.25 39.27 3dx9 s ASN 24 CO -0.03 0.27 0.63 0.00 0.02 0.00 0.00 177.10 177.99 3dx9 n HIS 25 N 2.94 -2.20 0.53 2.20 1.44 -0.65 -0.12 115.22 119.36 3dx9 n HIS 25 Ca -0.17 -2.45 0.13 0.00 -2.01 0.00 0.00 57.72 53.21 3dx9 n HIS 25 Cb 0.53 0.78 0.40 0.00 0.12 0.00 0.00 29.99 31.82 3dx9 n HIS 25 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3dx9 h SER 26 N 4.62 0.00 -0.65 4.39 4.64 -1.77 -3.11 113.55 121.66 3dx9 h SER 26 Ca 0.05 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.06 3dx9 h SER 26 Cb 0.99 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.89 3dx9 h SER 26 CO 0.29 0.00 0.26 0.35 -0.87 0.00 0.00 176.83 176.86 3dx9 n THR 27 N -2.38 2.85 -2.54 2.95 -2.24 -1.26 -4.88 114.28 106.78 3dx9 n THR 27 Ca 0.05 -2.25 -0.41 0.00 -2.27 0.00 0.00 64.05 59.16 3dx9 n THR 27 Cb 0.40 -0.38 -0.04 0.00 -2.10 0.00 0.00 70.33 68.21 3dx9 n THR 27 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3dx9 s ILE 28 N -3.22 4.00 0.86 2.28 2.07 -1.17 -5.06 121.20 120.96 3dx9 s ILE 28 Ca 0.51 1.67 -0.11 0.00 -1.41 0.00 0.00 60.65 61.31 3dx9 s ILE 28 Cb 0.44 -4.07 0.11 0.00 0.13 0.00 0.00 42.46 39.07 3dx9 s ILE 28 CO 0.06 0.26 1.10 -0.44 -1.91 0.00 0.00 174.94 174.01 3dx9 s SER 29 N 0.07 3.65 0.10 4.50 0.01 -1.26 -4.99 113.70 115.78 3dx9 s SER 29 Ca 0.50 1.76 0.00 0.00 1.31 0.00 0.00 55.95 59.52 3dx9 s SER 29 Cb -0.28 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.55 3dx9 s SER 29 CO 0.33 -2.57 0.00 0.61 0.41 0.00 0.00 173.24 172.02 3dx9 n GLY 30 N -0.80 1.22 0.58 3.44 0.00 -1.26 -3.33 105.19 105.03 3dx9 n GLY 30 Ca 0.08 -0.64 0.06 0.00 0.00 0.00 0.00 46.02 45.53 3dx9 n GLY 30 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dx9 n ASN 31 N 2.34 2.59 -4.69 1.61 0.23 -1.26 -4.99 115.26 111.09 3dx9 n ASN 31 Ca 0.00 -1.81 -0.39 0.00 -0.53 0.00 0.00 54.58 51.85 3dx9 n ASN 31 Cb 0.00 -0.15 -0.06 0.00 -2.08 0.00 0.00 39.78 37.49 3dx9 n ASN 31 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3dx9 s GLU 32 N -0.98 4.26 0.50 -3.83 2.02 -1.21 -4.45 118.70 115.01 3dx9 s GLU 32 Ca 0.20 0.47 -0.05 0.00 0.02 0.00 0.00 54.97 55.61 3dx9 s GLU 32 Cb 0.11 -3.51 -0.02 0.00 0.10 0.00 0.00 34.13 30.81 3dx9 s GLU 32 CO 0.15 -0.04 0.80 0.71 0.02 0.00 0.00 175.26 176.90 3dx9 s TYR 33 N 1.27 3.47 -0.11 1.61 1.51 0.94 -4.83 117.35 121.20 3dx9 s TYR 33 Ca 0.26 0.72 -0.03 0.00 -1.01 0.00 0.00 57.07 57.01 3dx9 s TYR 33 Cb -0.15 -2.40 -0.03 0.00 -0.11 0.00 0.00 41.96 39.26 3dx9 s TYR 33 CO 0.10 -0.41 0.02 0.08 -1.11 0.00 0.00 175.55 174.24 3dx9 s VAL 39 N -2.78 4.46 0.02 0.71 1.01 0.56 -1.90 120.40 122.49 3dx9 s VAL 39 Ca 0.49 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.33 3dx9 s VAL 39 Cb -0.10 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 3dx9 s VAL 39 CO 0.44 0.58 -0.13 -0.31 0.00 0.00 0.00 175.10 175.68 3dx9 s TYR 40 N -0.64 1.19 -0.11 5.22 2.02 0.69 -2.69 117.35 123.02 3dx9 s TYR 40 Ca 0.11 -0.31 0.03 0.00 -0.37 0.00 0.00 57.07 56.53 3dx9 s TYR 40 Cb -0.12 -0.72 0.01 0.00 -0.40 0.00 0.00 41.96 40.72 3dx9 s TYR 40 CO 0.02 0.01 -0.22 -1.58 -1.57 0.00 0.00 175.55 172.22 3dx9 s TRP 41 N -0.66 2.51 0.30 2.71 0.52 -0.09 -0.71 118.94 123.53 3dx9 s TRP 41 Ca 0.03 -1.13 0.10 0.00 0.02 0.00 0.00 56.10 55.12 3dx9 s TRP 41 Cb -0.07 -1.70 -0.05 0.00 -1.15 0.00 0.00 33.47 30.50 3dx9 s TRP 41 CO 0.01 -0.49 -0.10 0.71 0.02 0.00 0.00 176.95 177.10 3dx9 s TYR 42 N 0.57 2.44 -0.01 -1.98 2.02 0.35 -1.02 117.35 119.72 3dx9 s TYR 42 Ca -0.14 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.22 3dx9 s TYR 42 Cb -0.17 -1.22 -0.01 0.00 -0.40 0.00 0.00 41.96 40.17 3dx9 s TYR 42 CO 0.04 0.62 -0.09 0.50 -1.57 0.00 0.00 175.55 175.05 3dx9 s ARG 43 N -3.60 0.74 -0.09 -0.62 3.52 -0.09 -0.10 118.95 118.70 3dx9 s ARG 43 Ca 0.32 -0.32 0.01 0.00 -0.13 0.00 0.00 55.73 55.61 3dx9 s ARG 43 Cb -0.03 -0.71 0.02 0.00 -1.56 0.00 0.00 34.95 32.68 3dx9 s ARG 43 CO 0.17 0.19 -0.09 -1.14 -0.81 0.00 0.00 175.30 173.62 3dx9 s GLN 44 N -0.18 1.51 -0.06 5.12 0.74 0.12 -0.19 119.66 126.71 3dx9 s GLN 44 Ca 0.03 -0.29 0.01 0.00 0.05 0.00 0.00 55.36 55.16 3dx9 s GLN 44 Cb -0.04 -1.45 -0.03 0.00 1.10 0.00 0.00 33.01 32.60 3dx9 s GLN 44 CO -0.00 -0.15 -0.07 0.42 -0.55 0.00 0.00 175.29 174.93 3dx9 s ILE 45 N 1.29 3.65 0.00 -2.34 1.01 -1.26 -1.33 121.20 122.22 3dx9 s ILE 45 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.11 3dx9 s ILE 45 Cb -0.14 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.84 3dx9 s ILE 45 CO -0.03 0.59 0.00 1.57 0.00 0.00 0.00 174.94 177.07 3dx9 n HIS 46 N 2.20 -0.09 1.43 3.97 -0.00 -1.26 -1.32 115.22 120.15 3dx9 n HIS 46 Ca -0.18 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.08 3dx9 n HIS 46 Cb 0.53 0.04 0.48 0.00 -0.12 0.00 0.00 29.99 30.91 3dx9 n HIS 46 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 3dx9 n SER 47 N -3.71 0.00 -4.41 0.26 3.41 -1.26 -4.96 113.62 102.96 3dx9 n SER 47 Ca 0.00 -0.93 -0.29 0.00 -0.26 0.00 0.00 58.87 57.39 3dx9 n SER 47 Cb 0.00 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.13 3dx9 n SER 47 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3dx9 s GLN 48 N -2.00 0.23 0.31 4.33 -0.21 -0.43 -4.92 119.66 116.97 3dx9 s GLN 48 Ca 0.24 0.15 -0.29 0.00 0.02 0.00 0.00 55.36 55.47 3dx9 s GLN 48 Cb 0.11 -1.75 -0.12 0.00 1.00 0.00 0.00 33.01 32.26 3dx9 s GLN 48 CO 0.19 -2.79 1.54 0.41 -2.12 0.00 0.00 175.29 172.52 3dx9 n GLY 49 N -1.79 1.23 3.72 3.09 0.00 -1.26 -4.62 105.19 105.55 3dx9 n GLY 49 Ca 0.09 0.42 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 3dx9 n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dx9 s PRO 50 N -0.96 4.26 -0.12 1.61 0.04 -1.26 -4.66 135.00 133.91 3dx9 s PRO 50 Ca 0.61 2.22 -0.10 0.00 0.04 0.00 0.00 61.00 63.78 3dx9 s PRO 50 Cb -0.50 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 30.77 3dx9 s PRO 50 CO 0.53 -0.53 0.21 1.14 0.04 0.00 0.00 177.00 178.39 3dx9 s GLN 51 N 1.21 3.77 0.41 4.56 -2.07 0.73 -4.87 119.66 123.40 3dx9 s GLN 51 Ca 0.68 -0.01 -0.27 0.00 -1.82 0.00 0.00 55.36 53.94 3dx9 s GLN 51 Cb -0.40 -3.27 -0.10 0.00 -1.09 0.00 0.00 33.01 28.15 3dx9 s GLN 51 CO 0.31 0.60 1.45 0.98 -1.32 0.00 0.00 175.29 177.31 3dx9 n TYR 52 N 2.44 2.82 -0.02 9.60 9.36 -1.26 -0.92 117.16 139.18 3dx9 n TYR 52 Ca -0.17 0.45 -0.06 0.00 3.32 0.00 0.00 57.90 61.44 3dx9 n TYR 52 Cb 0.54 -2.49 -0.02 0.00 -0.63 0.00 0.00 39.34 36.73 3dx9 n TYR 52 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 3dx9 n ILE 53 N 0.12 1.23 -3.55 2.97 5.41 -0.19 -4.86 119.36 120.49 3dx9 n ILE 53 Ca 0.03 0.21 -0.08 0.00 1.00 0.00 0.00 62.75 63.91 3dx9 n ILE 53 Cb 0.40 -1.88 -0.03 0.00 -0.71 0.00 0.00 39.64 37.42 3dx9 n ILE 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 3dx9 s ILE 54 N -2.37 0.00 0.16 1.39 2.07 -1.15 -4.83 121.20 116.47 3dx9 s ILE 54 Ca -0.14 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.08 3dx9 s ILE 54 Cb 0.03 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.58 3dx9 s ILE 54 CO 0.20 0.00 0.12 -1.38 -1.91 0.00 0.00 174.94 171.96 3dx9 s HIS 55 N -2.45 0.86 0.00 3.50 -3.43 -1.26 -0.91 115.29 111.60 3dx9 s HIS 55 Ca 0.05 -1.19 0.00 0.00 -0.80 0.00 0.00 55.06 53.11 3dx9 s HIS 55 Cb -0.01 -0.42 0.00 0.00 -1.43 0.00 0.00 32.58 30.72 3dx9 s HIS 55 CO -0.06 -0.59 0.00 0.41 -2.00 0.00 0.00 174.74 172.50 3dx9 n GLY 56 N -0.16 0.85 0.00 -1.38 0.00 -1.10 -4.88 105.19 98.52 3dx9 n GLY 56 Ca -0.04 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3dx9 n GLY 56 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dx9 n LEU 57 N 0.00 2.25 -3.15 0.99 7.94 -1.26 -0.32 117.00 123.44 3dx9 n LEU 57 Ca 0.00 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.95 3dx9 n LEU 57 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 3dx9 n LEU 57 CO 0.00 0.00 0.40 -0.54 -1.11 0.00 0.00 177.39 176.14 3dx9 s LYS 58 N 0.00 0.33 0.00 1.96 1.02 -1.26 -4.57 119.74 117.23 3dx9 s LYS 58 Ca 0.00 0.54 0.00 0.00 0.02 0.00 0.00 55.97 56.53 3dx9 s LYS 58 Cb 0.00 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.60 3dx9 s LYS 58 CO 0.00 -0.42 0.00 0.27 -0.92 0.00 0.00 175.35 174.28 3dx9 n ASN 59 N 5.41 0.00 -4.14 2.83 0.23 -1.25 -5.07 115.26 113.28 3dx9 n ASN 59 Ca -0.02 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.92 3dx9 n ASN 59 Cb 0.53 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.13 3dx9 n ASN 59 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3dx9 s ASN 66 N -4.00 1.01 0.15 0.53 2.20 -1.26 -1.35 114.94 112.22 3dx9 s ASN 66 Ca 0.00 -0.91 -0.10 0.00 -0.94 0.00 0.00 52.86 50.91 3dx9 s ASN 66 Cb 0.00 0.09 -0.00 0.00 -2.00 0.00 0.00 41.25 39.34 3dx9 s ASN 66 CO 0.00 -0.43 0.30 -1.61 -2.94 0.00 0.00 177.10 172.42 3dx9 s GLU 67 N -3.37 1.13 -0.01 3.55 0.41 0.13 -4.99 118.70 115.56 3dx9 s GLU 67 Ca 0.07 -1.10 -0.19 0.00 -0.41 0.00 0.00 54.97 53.34 3dx9 s GLU 67 Cb 0.02 0.39 0.04 0.00 -1.78 0.00 0.00 34.13 32.80 3dx9 s GLU 67 CO -0.04 -0.41 0.41 0.99 -0.49 0.00 0.00 175.26 175.71 3dx9 s THR 68 N -3.94 0.05 0.36 3.63 2.01 -1.26 -0.53 115.64 115.96 3dx9 s THR 68 Ca 0.14 -0.38 -0.09 0.00 0.31 0.00 0.00 61.69 61.68 3dx9 s THR 68 Cb 0.03 -0.77 0.04 0.00 0.01 0.00 0.00 72.50 71.80 3dx9 s THR 68 CO -0.02 -0.21 0.64 -0.46 -0.69 0.00 0.00 174.62 173.88 3dx9 n ASN 69 N 1.02 -1.83 -0.00 3.53 2.04 -0.32 -5.01 115.26 114.69 3dx9 n ASN 69 Ca -0.20 -2.68 0.21 0.00 -0.44 0.00 0.00 54.58 51.47 3dx9 n ASN 69 Cb 0.57 3.16 0.71 0.00 -2.53 0.00 0.00 39.78 41.69 3dx9 n ASN 69 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 3dx9 h GLU 70 N 0.00 0.00 0.00 -3.83 5.08 -2.02 -2.61 114.58 111.19 3dx9 h GLU 70 Ca -0.30 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.00 3dx9 h GLU 70 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3dx9 h GLU 70 CO 0.39 0.00 -1.15 -0.12 -1.00 0.00 0.00 179.01 177.12 3dx9 n MET 78 N -4.25 0.61 0.00 2.33 1.56 -1.26 -5.05 117.12 111.06 3dx9 n MET 78 Ca 0.10 0.16 0.00 0.00 -0.27 0.00 0.00 57.70 57.69 3dx9 n MET 78 Cb 0.64 -1.82 0.00 0.00 2.15 0.00 0.00 33.22 34.19 3dx9 n MET 78 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3dx9 n ALA 79 N -2.26 0.00 -2.50 -5.12 0.00 -0.99 -4.79 120.51 104.85 3dx9 n ALA 79 Ca -0.04 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.23 3dx9 n ALA 79 Cb 0.66 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.00 3dx9 n ALA 79 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dx9 s SER 80 N 0.00 1.90 -0.08 0.00 0.15 -0.36 -1.17 113.70 114.13 3dx9 s SER 80 Ca 0.00 -0.80 -0.02 0.00 0.70 0.00 0.00 55.95 55.83 3dx9 s SER 80 Cb 0.00 -0.06 0.03 0.00 -1.71 0.00 0.00 66.02 64.29 3dx9 s SER 80 CO 0.00 -0.16 0.04 -0.22 1.20 0.00 0.00 173.24 174.10 3dx9 s LEU 81 N -2.42 0.42 -0.14 3.45 1.98 0.31 -0.59 118.68 121.69 3dx9 s LEU 81 Ca 0.08 -0.13 -0.02 0.00 -2.89 0.00 0.00 54.13 51.17 3dx9 s LEU 81 Cb -0.05 -0.30 -0.02 0.00 0.66 0.00 0.00 46.19 46.48 3dx9 s LEU 81 CO 0.02 -0.24 -0.08 -0.63 -1.89 0.00 0.00 176.35 173.53 3dx9 s ILE 82 N 2.07 3.52 -0.07 6.68 1.01 -0.35 -0.69 121.20 133.35 3dx9 s ILE 82 Ca 0.04 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.24 3dx9 s ILE 82 Cb -0.13 -2.51 -0.00 0.00 0.01 0.00 0.00 42.46 39.83 3dx9 s ILE 82 CO -0.05 0.51 -0.23 -0.63 0.00 0.00 0.00 174.94 174.54 3dx9 s ILE 83 N 0.29 1.95 1.09 2.92 1.01 -0.46 -0.08 121.20 127.92 3dx9 s ILE 83 Ca -0.06 -0.98 -0.13 0.00 0.00 0.00 0.00 60.65 59.47 3dx9 s ILE 83 Cb -0.15 -1.67 0.24 0.00 0.01 0.00 0.00 42.46 40.89 3dx9 s ILE 83 CO 0.04 0.54 1.07 0.42 0.00 0.00 0.00 174.94 177.01 3dx9 s THR 84 N 0.10 1.96 0.10 2.92 -4.23 -0.90 -3.87 115.64 111.72 3dx9 s THR 84 Ca -0.10 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.27 3dx9 s THR 84 Cb -0.15 -2.33 -0.13 0.00 1.34 0.00 0.00 72.50 71.22 3dx9 s THR 84 CO 0.06 0.00 1.34 1.05 -0.54 0.00 0.00 174.62 176.52 3dx9 h GLU 84 N -2.27 0.75 -0.86 3.99 9.09 -1.95 -2.56 114.58 120.78 3dx9 h GLU 84 Ca -0.57 -0.54 0.32 0.00 0.05 0.00 0.00 59.36 58.62 3dx9 h GLU 84 Cb 1.33 0.09 -0.16 0.00 -1.65 0.00 0.00 28.75 28.37 3dx9 h GLU 84 CO 0.54 1.16 0.30 -0.25 0.05 0.00 0.00 179.01 180.81 3dx9 n ASP 84 N -4.07 0.16 0.00 3.06 8.00 -1.26 -4.82 116.55 117.62 3dx9 n ASP 84 Ca -0.06 1.44 0.00 0.00 0.71 0.00 0.00 54.79 56.87 3dx9 n ASP 84 Cb 0.64 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3dx9 n ASP 84 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3dx9 n ARG 84 N -5.05 0.00 0.00 -1.24 1.74 -0.97 -4.91 116.66 106.24 3dx9 n ARG 84 Ca 0.28 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.50 3dx9 n ARG 84 Cb 0.95 -1.96 0.58 0.00 -1.02 0.00 0.00 32.46 31.01 3dx9 n ARG 84 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3dx9 n LYS 85 N -2.00 0.89 -3.57 5.56 5.02 -1.26 -4.79 118.16 118.02 3dx9 n LYS 85 Ca 0.00 -0.38 -0.11 0.00 -2.02 0.00 0.00 58.31 55.80 3dx9 n LYS 85 Cb 0.00 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.48 3dx9 n LYS 85 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3dx9 s SER 86 N -2.37 -0.34 0.15 4.39 1.04 -1.26 -1.64 113.70 113.68 3dx9 s SER 86 Ca 0.31 -0.22 -0.07 0.00 0.48 0.00 0.00 55.95 56.45 3dx9 s SER 86 Cb 0.20 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.82 3dx9 s SER 86 CO 0.45 -0.90 0.24 -0.94 0.98 0.00 0.00 173.24 173.07 3dx9 s SER 87 N -2.79 0.10 -0.03 7.02 1.04 -0.39 -2.11 113.70 116.53 3dx9 s SER 87 Ca 0.02 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.53 3dx9 s SER 87 Cb 0.01 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.56 3dx9 s SER 87 CO -0.12 -0.85 0.01 -0.89 0.98 0.00 0.00 173.24 172.36 3dx9 s THR 88 N -3.98 0.16 -0.13 2.02 2.01 0.88 -2.04 115.64 114.56 3dx9 s THR 88 Ca 0.18 0.12 -0.16 0.00 0.31 0.00 0.00 61.69 62.13 3dx9 s THR 88 Cb 0.04 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 3dx9 s THR 88 CO -0.00 0.15 0.39 -0.22 -0.69 0.00 0.00 174.62 174.25 3dx9 s LEU 89 N 1.16 4.27 -0.25 4.42 2.96 -0.29 -1.22 118.68 129.73 3dx9 s LEU 89 Ca -0.08 0.69 -0.02 0.00 -0.22 0.00 0.00 54.13 54.50 3dx9 s LEU 89 Cb -0.13 -2.55 0.02 0.00 0.50 0.00 0.00 46.19 44.03 3dx9 s LEU 89 CO -0.02 0.06 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.40 3dx9 s ILE 90 N 0.45 3.04 -0.48 6.68 1.01 0.24 -0.73 121.20 131.41 3dx9 s ILE 90 Ca 0.22 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 59.79 3dx9 s ILE 90 Cb -0.14 -2.52 0.08 0.00 0.01 0.00 0.00 42.46 39.89 3dx9 s ILE 90 CO 0.08 0.22 0.41 -0.76 0.00 0.00 0.00 174.94 174.88 3dx9 s LEU 91 N 1.36 5.69 0.42 2.97 1.43 -0.49 -1.22 118.68 128.84 3dx9 s LEU 91 Ca 0.01 -1.40 0.09 0.00 -1.03 0.00 0.00 54.13 51.80 3dx9 s LEU 91 Cb -0.16 -2.18 0.89 0.00 0.03 0.00 0.00 46.19 44.76 3dx9 s LEU 91 CO -0.04 -0.67 2.02 1.55 0.23 0.00 0.00 176.35 179.44 3dx9 h PRO 92 N 8.76 0.36 -2.49 1.29 0.13 -1.86 -1.24 132.00 136.95 3dx9 h PRO 92 Ca -0.28 -0.04 -0.57 0.00 -0.87 0.00 0.00 66.00 64.24 3dx9 h PRO 92 Cb 1.11 -0.07 -0.38 0.00 0.13 0.00 0.00 31.00 31.79 3dx9 h PRO 92 CO 0.90 0.32 -0.87 -1.01 -0.23 0.00 0.00 178.00 177.11 3dx9 s HIS 93 N -5.15 0.71 -0.09 1.56 3.76 -1.26 -2.57 115.29 112.25 3dx9 s HIS 93 Ca -0.07 -1.71 -0.30 0.00 -0.15 0.00 0.00 55.06 52.83 3dx9 s HIS 93 Cb 0.17 -0.87 -0.04 0.00 1.11 0.00 0.00 32.58 32.95 3dx9 s HIS 93 CO 0.72 -0.84 1.44 0.00 -0.85 0.00 0.00 174.74 175.22 3dx9 s ALA 94 N 0.88 3.63 0.50 -1.40 0.00 -0.92 -4.94 121.76 119.50 3dx9 s ALA 94 Ca 0.21 0.73 0.06 0.00 0.00 0.00 0.00 51.96 52.96 3dx9 s ALA 94 Cb -0.17 -3.67 0.01 0.00 0.00 0.00 0.00 23.12 19.30 3dx9 s ALA 94 CO -0.04 -1.21 0.34 0.95 0.00 0.00 0.00 175.76 175.80 3dx9 s THR 95 N 3.50 1.93 0.38 0.00 -4.23 -1.26 -4.08 115.64 111.88 3dx9 s THR 95 Ca 0.64 -1.53 0.06 0.00 -1.18 0.00 0.00 61.69 59.68 3dx9 s THR 95 Cb -0.28 -2.45 0.28 0.00 1.34 0.00 0.00 72.50 71.38 3dx9 s THR 95 CO 0.23 0.00 2.01 -0.07 -0.54 0.00 0.00 174.62 176.25 3dx9 h LEU 96 N 0.95 0.59 -2.56 4.79 4.07 -1.95 -1.69 115.31 119.51 3dx9 h LEU 96 Ca -0.39 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.56 3dx9 h LEU 96 Cb 1.29 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.89 3dx9 h LEU 96 CO 0.60 0.41 -0.01 0.03 -1.08 0.00 0.00 178.44 178.39 3dx9 h ARG 97 N 0.69 0.00 0.00 1.13 3.08 -1.98 -2.32 114.38 114.98 3dx9 h ARG 97 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3dx9 h ARG 97 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3dx9 h ARG 97 CO -0.06 0.01 0.00 -0.25 -1.07 0.00 0.00 179.97 178.60 3dx9 n ASP 98 N -3.23 0.00 -4.68 7.04 8.00 -0.64 -4.82 116.55 118.22 3dx9 n ASP 98 Ca -0.02 -0.31 -0.42 0.00 0.71 0.00 0.00 54.79 54.75 3dx9 n ASP 98 Cb 0.13 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 3dx9 n ASP 98 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3dx9 s THR 99 N -2.44 4.85 0.04 -3.53 -4.23 -0.87 -4.92 115.64 104.54 3dx9 s THR 99 Ca 0.31 1.78 -0.20 0.00 -1.18 0.00 0.00 61.69 62.40 3dx9 s THR 99 Cb 0.20 -4.20 0.07 0.00 1.34 0.00 0.00 72.50 69.90 3dx9 s THR 99 CO 0.42 0.03 0.92 0.00 -0.54 0.00 0.00 174.62 175.45 3dx9 n ALA 100 N 5.08 -2.54 -2.57 3.99 0.00 -1.05 -4.97 120.51 118.46 3dx9 n ALA 100 Ca 0.06 -0.69 -0.38 0.00 0.00 0.00 0.00 53.44 52.43 3dx9 n ALA 100 Cb 0.49 0.24 -0.06 0.00 0.00 0.00 0.00 19.45 20.12 3dx9 n ALA 100 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dx9 s VAL 101 N -2.09 5.07 -0.18 0.00 1.01 -0.44 -1.36 120.40 122.40 3dx9 s VAL 101 Ca 0.21 0.92 0.01 0.00 0.00 0.00 0.00 61.98 63.12 3dx9 s VAL 101 Cb -0.01 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.62 3dx9 s VAL 101 CO 0.01 0.46 -0.19 -0.31 0.00 0.00 0.00 175.10 175.07 3dx9 s TYR 102 N -0.32 2.79 -0.17 5.22 1.51 1.20 0.14 117.35 127.72 3dx9 s TYR 102 Ca 0.25 -1.67 -0.07 0.00 -1.01 0.00 0.00 57.07 54.57 3dx9 s TYR 102 Cb -0.16 -1.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 3dx9 s TYR 102 CO 0.12 -0.81 0.06 0.71 -1.11 0.00 0.00 175.55 174.52 3dx9 s TYR 103 N 1.29 3.26 -0.28 2.71 2.02 0.86 -1.60 117.35 125.60 3dx9 s TYR 103 Ca 0.04 0.10 -0.07 0.00 -0.37 0.00 0.00 57.07 56.78 3dx9 s TYR 103 Cb -0.13 -2.04 -0.00 0.00 -0.40 0.00 0.00 41.96 39.39 3dx9 s TYR 103 CO -0.13 0.21 0.07 0.00 -1.57 0.00 0.00 175.55 174.13 3dx9 s ILE 105 N 1.53 1.65 -0.03 0.00 -4.36 0.11 -4.76 121.20 115.33 3dx9 s ILE 105 Ca 0.04 -1.87 0.06 0.00 -0.26 0.00 0.00 60.65 58.62 3dx9 s ILE 105 Cb -0.16 -1.75 -0.01 0.00 1.25 0.00 0.00 42.46 41.78 3dx9 s ILE 105 CO 0.02 -0.36 -0.20 0.68 0.24 0.00 0.00 174.94 175.31 3dx9 s VAL 106 N -2.13 1.65 -0.11 8.37 -7.23 -1.26 -0.22 120.40 119.47 3dx9 s VAL 106 Ca 0.14 -0.87 -0.14 0.00 -1.81 0.00 0.00 61.98 59.30 3dx9 s VAL 106 Cb -0.05 -1.39 0.04 0.00 0.56 0.00 0.00 36.38 35.53 3dx9 s VAL 106 CO 0.05 0.47 0.38 0.86 -0.31 0.00 0.00 175.10 176.55 3dx9 s TRP 107 N -0.25 -0.37 0.00 2.82 -0.00 -0.80 -4.81 118.94 115.53 3dx9 s TRP 107 Ca 0.02 0.84 0.00 0.00 -0.00 0.00 0.00 56.10 56.96 3dx9 s TRP 107 Cb -0.10 0.14 0.00 0.00 -0.00 0.00 0.00 33.47 33.51 3dx9 s TRP 107 CO 0.01 -0.27 0.78 0.41 -0.00 0.00 0.00 176.95 177.88 3dx9 n GLY 108 N 2.39 0.54 0.00 5.86 0.00 -1.26 -0.04 105.19 112.67 3dx9 n GLY 108 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3dx9 n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dx9 n GLY 109 N -0.29 2.98 5.00 -0.02 0.00 -1.26 -4.80 105.19 106.80 3dx9 n GLY 109 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.09 3dx9 n GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3dx9 n TYR 110 N -0.16 0.00 -0.91 1.61 9.36 -1.26 -4.84 117.16 120.96 3dx9 n TYR 110 Ca 0.00 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.93 3dx9 n TYR 110 Cb 0.00 0.00 0.22 0.00 -0.63 0.00 0.00 39.34 38.93 3dx9 n TYR 110 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 3dx9 s GLN 111 N 0.00 -0.65 1.11 2.98 -1.52 -1.26 -5.03 119.66 115.29 3dx9 s GLN 111 Ca 0.00 0.42 -0.14 0.00 -1.95 0.00 0.00 55.36 53.69 3dx9 s GLN 111 Cb 0.00 -1.62 0.25 0.00 -0.22 0.00 0.00 33.01 31.42 3dx9 s GLN 111 CO 0.00 -3.44 1.06 -1.59 -0.25 0.00 0.00 175.29 171.07 3dx9 s LYS 112 N -4.93 -0.49 -0.07 2.91 -2.85 -1.26 -5.03 119.74 108.01 3dx9 s LYS 112 Ca 0.68 0.56 0.02 0.00 -1.00 0.00 0.00 55.97 56.22 3dx9 s LYS 112 Cb -0.18 -1.63 -0.02 0.00 -2.06 0.00 0.00 37.83 33.94 3dx9 s LYS 112 CO 0.59 -3.36 -0.12 0.08 0.10 0.00 0.00 175.35 172.63 3dx9 s VAL 113 N -2.73 3.19 -0.03 1.79 1.01 -1.26 -4.99 120.40 117.38 3dx9 s VAL 113 Ca 0.67 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 62.06 3dx9 s VAL 113 Cb -0.20 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 3dx9 s VAL 113 CO 0.61 0.58 -0.23 -0.89 0.00 0.00 0.00 175.10 175.16 3dx9 s THR 114 N -0.49 1.85 -0.07 3.92 2.01 -1.26 -5.13 115.64 116.48 3dx9 s THR 114 Ca 0.06 -0.98 -0.02 0.00 0.31 0.00 0.00 61.69 61.06 3dx9 s THR 114 Cb -0.12 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 3dx9 s THR 114 CO 0.02 0.52 0.05 -0.36 -0.69 0.00 0.00 174.62 174.16 3dx9 s PHE 115 N -0.37 3.29 0.00 4.92 0.40 -1.26 -4.37 117.98 120.59 3dx9 s PHE 115 Ca 0.04 0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.64 3dx9 s PHE 115 Cb -0.11 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.62 3dx9 s PHE 115 CO 0.01 0.55 0.00 0.41 0.70 0.00 0.00 175.22 176.89 3dx9 n GLY 116 N 1.81 0.97 0.12 4.36 0.00 -1.26 -4.67 105.19 106.53 3dx9 n GLY 116 Ca -0.17 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.05 3dx9 n GLY 116 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3dx9 n THR 117 N 0.00 1.61 0.00 2.61 5.66 -1.26 -5.06 114.28 117.84 3dx9 n THR 117 Ca 0.00 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 3dx9 n THR 117 Cb 0.00 -1.88 0.00 0.00 -1.55 0.00 0.00 70.33 66.90 3dx9 n THR 117 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3dx9 n GLY 118 N 1.64 0.40 2.92 1.09 0.00 -1.26 -4.98 105.19 105.00 3dx9 n GLY 118 Ca -0.36 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 3dx9 n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dx9 s THR 119 N 0.57 1.24 -1.03 2.61 2.01 -0.63 -3.93 115.64 116.49 3dx9 s THR 119 Ca 0.00 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.01 3dx9 s THR 119 Cb 0.00 -1.37 0.04 0.00 0.01 0.00 0.00 72.50 71.18 3dx9 s THR 119 CO 0.00 0.17 0.57 0.29 -0.69 0.00 0.00 174.62 174.96 3dx9 n LYS 120 N 4.83 -0.34 -3.57 4.92 5.02 -1.14 0.38 118.16 128.26 3dx9 n LYS 120 Ca -0.13 -0.03 -0.37 0.00 -2.02 0.00 0.00 58.31 55.76 3dx9 n LYS 120 Cb 0.48 -1.91 -0.06 0.00 -0.02 0.00 0.00 35.03 33.51 3dx9 n LYS 120 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3dx9 s LEU 121 N -7.09 4.37 -0.19 -0.35 2.96 -0.47 0.18 118.68 118.10 3dx9 s LEU 121 Ca 0.42 0.71 -0.02 0.00 -0.22 0.00 0.00 54.13 55.02 3dx9 s LEU 121 Cb -0.23 -2.43 0.05 0.00 0.50 0.00 0.00 46.19 44.08 3dx9 s LEU 121 CO 0.83 0.24 -0.00 -1.10 -1.32 0.00 0.00 176.35 175.00 3dx9 s GLN 122 N -0.45 0.99 -0.03 1.98 -0.21 -0.65 -2.52 119.66 118.76 3dx9 s GLN 122 Ca 0.20 -0.51 -0.28 0.00 0.02 0.00 0.00 55.36 54.79 3dx9 s GLN 122 Cb -0.14 -2.11 -0.03 0.00 1.00 0.00 0.00 33.01 31.73 3dx9 s GLN 122 CO 0.08 -0.57 0.88 0.08 -2.12 0.00 0.00 175.29 173.64 3dx9 s VAL 123 N 1.73 4.93 -0.14 1.09 1.01 -1.26 -1.71 120.40 126.05 3dx9 s VAL 123 Ca -0.01 1.83 -0.02 0.00 0.00 0.00 0.00 61.98 63.78 3dx9 s VAL 123 Cb -0.17 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 3dx9 s VAL 123 CO -0.07 0.18 -0.09 -0.63 0.00 0.00 0.00 175.10 174.49 3dx9 s ILE 124 N 1.02 3.43 0.35 2.22 -1.09 -0.07 -4.87 121.20 122.20 3dx9 s ILE 124 Ca 0.46 -0.52 -0.11 0.00 -2.23 0.00 0.00 60.65 58.25 3dx9 s ILE 124 Cb -0.20 -2.48 -0.07 0.00 -1.58 0.00 0.00 42.46 38.14 3dx9 s ILE 124 CO 0.24 0.51 0.70 -2.16 -1.23 0.00 0.00 174.94 173.00 3dx9 s PRO 125 N 0.39 3.82 -0.05 2.79 0.04 -1.26 -0.88 135.00 139.85 3dx9 s PRO 125 Ca -0.07 0.44 -0.17 0.00 0.04 0.00 0.00 61.00 61.23 3dx9 s PRO 125 Cb -0.15 -2.47 -0.05 0.00 0.04 0.00 0.00 34.50 31.87 3dx9 s PRO 125 CO 0.04 0.09 0.48 0.42 0.04 0.00 0.00 177.00 178.07 3dx9 s ILE 126 N -2.16 5.05 0.32 0.56 1.09 -1.26 -4.66 121.20 120.14 3dx9 s ILE 126 Ca 0.51 0.97 0.07 0.00 -1.10 0.00 0.00 60.65 61.10 3dx9 s ILE 126 Cb -0.10 -3.80 -0.03 0.00 -1.06 0.00 0.00 42.46 37.47 3dx9 s ILE 126 CO 0.26 0.45 0.29 -1.10 -0.10 0.00 0.00 174.94 174.74 3dx9 s GLN 127 N -0.22 2.81 -0.63 2.79 -1.52 -1.26 -4.95 119.66 116.68 3dx9 s GLN 127 Ca 0.26 -1.21 0.02 0.00 -1.95 0.00 0.00 55.36 52.47 3dx9 s GLN 127 Cb -0.16 -2.53 0.16 0.00 -0.22 0.00 0.00 33.01 30.25 3dx9 s GLN 127 CO 0.13 0.16 0.42 1.21 -0.25 0.00 0.00 175.29 176.95 3dx9 s ASN 128 N -3.98 4.87 0.66 5.90 2.47 -1.26 -5.02 114.94 118.57 3dx9 s ASN 128 Ca 0.40 -3.21 -0.12 0.00 0.42 0.00 0.00 52.86 50.34 3dx9 s ASN 128 Cb -0.07 -1.73 -0.01 0.00 -1.45 0.00 0.00 41.25 37.99 3dx9 s ASN 128 CO 0.27 -0.24 1.05 -2.16 -3.72 0.00 0.00 177.10 172.30 3dx9 s PRO 129 N -0.58 3.16 -0.43 0.43 0.05 -1.26 -5.06 135.00 131.31 3dx9 s PRO 129 Ca 0.20 0.97 0.08 0.00 0.05 0.00 0.00 61.00 62.29 3dx9 s PRO 129 Cb -0.18 -2.02 0.28 0.00 0.05 0.00 0.00 34.50 32.63 3dx9 s PRO 129 CO -0.05 -0.92 0.79 -3.47 0.05 0.00 0.00 177.00 173.40 3dx9 n ASP 130 N -2.79 -1.14 -4.74 6.66 4.64 -0.17 -5.04 116.55 113.96 3dx9 n ASP 130 Ca 0.07 -3.14 -0.42 0.00 -1.38 0.00 0.00 54.79 49.93 3dx9 n ASP 130 Cb 0.53 0.63 -0.02 0.00 -1.04 0.00 0.00 41.12 41.23 3dx9 n ASP 130 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3dx9 s PRO 131 N -0.56 4.19 0.06 -0.67 0.04 -1.14 -4.61 135.00 132.32 3dx9 s PRO 131 Ca 0.32 2.44 -0.14 0.00 0.04 0.00 0.00 61.00 63.66 3dx9 s PRO 131 Cb 0.25 -3.08 0.02 0.00 0.04 0.00 0.00 34.50 31.72 3dx9 s PRO 131 CO -0.14 -0.56 0.32 0.00 0.04 0.00 0.00 177.00 176.66 3dx9 s ALA 132 N 0.31 -0.70 -0.26 8.56 0.00 -0.67 -0.03 121.76 128.98 3dx9 s ALA 132 Ca 0.64 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.57 3dx9 s ALA 132 Cb -0.45 0.41 0.06 0.00 0.00 0.00 0.00 23.12 23.14 3dx9 s ALA 132 CO 0.42 -0.47 -0.11 0.08 0.00 0.00 0.00 175.76 175.67 3dx9 s VAL 133 N -2.95 2.13 0.18 0.00 1.01 -0.69 -0.77 120.40 119.31 3dx9 s VAL 133 Ca -0.02 -1.59 0.06 0.00 0.00 0.00 0.00 61.98 60.44 3dx9 s VAL 133 Cb 0.00 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3dx9 s VAL 133 CO -0.06 -0.01 0.08 -0.31 0.00 0.00 0.00 175.10 174.80 3dx9 s TYR 134 N 1.13 3.00 -0.19 5.22 2.02 0.41 -4.41 117.35 124.52 3dx9 s TYR 134 Ca -0.08 -0.08 -0.08 0.00 -0.37 0.00 0.00 57.07 56.45 3dx9 s TYR 134 Cb -0.20 -1.43 -0.04 0.00 -0.40 0.00 0.00 41.96 39.89 3dx9 s TYR 134 CO -0.05 0.53 0.08 -1.14 -1.57 0.00 0.00 175.55 173.39 3dx9 s GLN 135 N -3.16 4.03 -0.07 -0.62 0.74 -1.26 0.09 119.66 119.42 3dx9 s GLN 135 Ca 0.30 -0.31 0.02 0.00 0.05 0.00 0.00 55.36 55.42 3dx9 s GLN 135 Cb -0.09 -3.28 -0.02 0.00 1.10 0.00 0.00 33.01 30.71 3dx9 s GLN 135 CO 0.21 0.27 -0.12 -0.51 -0.55 0.00 0.00 175.29 174.59 3dx9 s LEU 136 N 0.40 2.82 0.01 3.68 1.02 0.00 -4.97 118.68 121.64 3dx9 s LEU 136 Ca 0.05 -0.19 -0.03 0.00 0.02 0.00 0.00 54.13 53.97 3dx9 s LEU 136 Cb -0.12 -1.60 -0.04 0.00 0.02 0.00 0.00 46.19 44.45 3dx9 s LEU 136 CO -0.00 0.31 0.21 -0.13 0.02 0.00 0.00 176.35 176.75 3dx9 s ARG 137 N -0.49 3.47 0.54 1.70 1.81 -1.26 -1.34 118.95 123.39 3dx9 s ARG 137 Ca 0.06 -0.28 -0.21 0.00 -1.72 0.00 0.00 55.73 53.58 3dx9 s ARG 137 Cb -0.12 -3.07 -0.05 0.00 -0.45 0.00 0.00 34.95 31.26 3dx9 s ARG 137 CO 0.02 0.65 1.28 0.34 -0.68 0.00 0.00 175.30 176.91 3dx9 s ASP 138 N -2.00 5.42 0.27 0.23 -1.08 -1.04 -4.95 116.67 113.53 3dx9 s ASP 138 Ca 0.29 2.59 0.06 0.00 -0.52 0.00 0.00 52.55 54.97 3dx9 s ASP 138 Cb -0.13 -2.62 0.38 0.00 -1.46 0.00 0.00 42.92 39.09 3dx9 s ASP 138 CO 0.20 -1.45 1.65 -1.28 0.52 0.00 0.00 175.17 174.80 3dx9 h SER 139 N 1.44 0.25 0.63 -0.34 0.87 -1.95 -3.39 113.55 111.06 3dx9 h SER 139 Ca -0.50 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 59.91 3dx9 h SER 139 Cb 1.29 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 63.19 3dx9 h SER 139 CO 0.57 0.70 -0.30 0.11 -0.53 0.00 0.00 176.83 177.37 3dx9 h LYS 140 N 0.18 -0.82 0.00 2.24 1.57 -1.99 -3.48 116.57 114.27 3dx9 h LYS 140 Ca 0.01 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3dx9 h LYS 140 Cb 0.93 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3dx9 h LYS 140 CO 0.07 -0.55 0.00 0.45 -0.57 0.00 0.00 179.45 178.86 3dx9 n SER 141 N -4.89 0.00 -3.03 0.86 2.88 -1.26 -5.12 113.62 103.05 3dx9 n SER 141 Ca -0.11 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.26 3dx9 n SER 141 Cb 0.34 0.18 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 3dx9 n SER 141 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3dx9 n SER 142 N -1.67 -0.87 0.00 -3.46 3.41 -1.26 -5.06 113.62 104.71 3dx9 n SER 142 Ca 0.00 -2.97 0.00 0.00 -0.26 0.00 0.00 58.87 55.64 3dx9 n SER 142 Cb 0.00 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 3dx9 n SER 142 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3dx9 n ASP 143 N 1.33 0.00 -3.02 4.04 5.75 -1.26 -4.53 116.55 118.86 3dx9 n ASP 143 Ca 0.17 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.94 3dx9 n ASP 143 Cb 0.58 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.67 3dx9 n ASP 143 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3dx9 n LYS 144 N 0.00 -1.69 -4.02 0.11 5.02 -1.26 -5.10 118.16 111.21 3dx9 n LYS 144 Ca 0.00 1.53 -0.10 0.00 -2.02 0.00 0.00 58.31 57.72 3dx9 n LYS 144 Cb 0.00 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.46 3dx9 n LYS 144 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3dx9 s SER 145 N -0.21 0.03 0.03 4.39 1.04 -1.26 -2.49 113.70 115.23 3dx9 s SER 145 Ca -0.04 -1.04 -0.08 0.00 0.48 0.00 0.00 55.95 55.28 3dx9 s SER 145 Cb 0.00 0.58 -0.00 0.00 0.10 0.00 0.00 66.02 66.70 3dx9 s SER 145 CO 0.12 -1.14 0.15 -0.69 0.98 0.00 0.00 173.24 172.67 3dx9 s VAL 146 N -3.90 0.11 -0.14 5.02 1.01 -0.45 -4.75 120.40 117.30 3dx9 s VAL 146 Ca 0.25 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 3dx9 s VAL 146 Cb 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 3dx9 s VAL 146 CO 0.10 -0.50 -0.07 0.00 0.00 0.00 0.00 175.10 174.64 3dx9 s LEU 148 N 0.23 3.24 -0.31 0.00 2.96 0.11 -0.98 118.68 123.95 3dx9 s LEU 148 Ca -0.04 -0.92 -0.13 0.00 -0.22 0.00 0.00 54.13 52.82 3dx9 s LEU 148 Cb -0.14 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 3dx9 s LEU 148 CO 0.04 -0.14 0.27 0.12 -1.32 0.00 0.00 176.35 175.32 3dx9 s PHE 149 N 1.31 3.22 0.18 5.38 5.36 -0.45 -0.45 117.98 132.54 3dx9 s PHE 149 Ca -0.01 0.06 -0.09 0.00 -0.96 0.00 0.00 56.93 55.94 3dx9 s PHE 149 Cb -0.17 -2.50 -0.01 0.00 -0.34 0.00 0.00 43.02 40.00 3dx9 s PHE 149 CO -0.04 -0.28 0.30 -0.08 -1.46 0.00 0.00 175.22 173.67 3dx9 s THR 150 N 1.86 0.05 -1.23 0.12 -1.32 0.05 -1.04 115.64 114.13 3dx9 s THR 150 Ca 0.09 -1.45 0.00 0.00 -1.21 0.00 0.00 61.69 59.12 3dx9 s THR 150 Cb -0.16 -1.98 0.00 0.00 -1.51 0.00 0.00 72.50 68.85 3dx9 s THR 150 CO 0.11 -0.21 0.00 0.47 -2.21 0.00 0.00 174.62 172.78 3dx9 n ASP 151 N -0.25 -4.60 -4.88 8.08 9.92 -0.70 -1.67 116.55 122.45 3dx9 n ASP 151 Ca -0.05 0.29 -0.30 0.00 -0.53 0.00 0.00 54.79 54.20 3dx9 n ASP 151 Cb 0.63 -3.12 -0.01 0.00 -0.64 0.00 0.00 41.12 37.98 3dx9 n ASP 151 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3dx9 s PHE 152 N -2.36 3.54 0.62 1.24 -0.71 -1.26 -1.00 117.98 118.06 3dx9 s PHE 152 Ca 0.00 1.07 -0.14 0.00 -1.04 0.00 0.00 56.93 56.83 3dx9 s PHE 152 Cb 0.00 -2.51 -0.03 0.00 -1.21 0.00 0.00 43.02 39.28 3dx9 s PHE 152 CO 0.00 -0.35 1.04 0.16 -1.34 0.00 0.00 175.22 174.73 3dx9 s ASP 153 N -3.76 5.82 0.00 1.98 1.47 -1.26 -4.49 116.67 116.43 3dx9 s ASP 153 Ca 0.52 1.67 0.21 0.00 1.18 0.00 0.00 52.55 56.12 3dx9 s ASP 153 Cb -0.10 -2.51 1.03 0.00 -0.34 0.00 0.00 42.92 41.00 3dx9 s ASP 153 CO 0.42 -1.14 1.67 -1.20 0.68 0.00 0.00 175.17 175.60 3dx9 n SER 154 N -2.43 0.00 0.19 2.11 7.64 -1.26 -1.38 113.62 118.50 3dx9 n SER 154 Ca 0.08 0.06 0.07 0.00 1.01 0.00 0.00 58.87 60.09 3dx9 n SER 154 Cb 0.53 -0.32 0.28 0.00 -1.01 0.00 0.00 64.21 63.69 3dx9 n SER 154 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3dx9 h GLN 155 N 0.00 0.00 -6.53 1.43 1.08 -1.94 -3.45 115.11 105.69 3dx9 h GLN 155 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 3dx9 h GLN 155 Cb 0.22 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.66 3dx9 h GLN 155 CO 0.00 0.31 0.59 0.99 -0.95 0.00 0.00 178.83 179.77 3dx9 s THR 156 N -3.37 3.80 -0.09 -0.54 2.01 -0.48 -5.04 115.64 111.94 3dx9 s THR 156 Ca 0.02 1.34 0.02 0.00 0.31 0.00 0.00 61.69 63.38 3dx9 s THR 156 Cb 0.09 -3.86 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 3dx9 s THR 156 CO 0.68 0.13 -0.12 0.20 -0.69 0.00 0.00 174.62 174.81 3dx9 s ASN 157 N 0.86 4.14 -0.15 3.53 0.01 -1.26 -4.95 114.94 117.11 3dx9 s ASN 157 Ca 0.58 -0.22 -0.16 0.00 -0.71 0.00 0.00 52.86 52.36 3dx9 s ASN 157 Cb -0.31 -1.20 -0.04 0.00 0.41 0.00 0.00 41.25 40.10 3dx9 s ASN 157 CO 0.31 0.28 0.40 0.54 -1.51 0.00 0.00 177.10 177.11 3dx9 s VAL 158 N -0.31 5.23 0.38 1.60 0.11 -1.26 -4.40 120.40 121.75 3dx9 s VAL 158 Ca 0.03 0.76 -0.01 0.00 -2.93 0.00 0.00 61.98 59.83 3dx9 s VAL 158 Cb -0.13 -3.74 -0.03 0.00 -1.53 0.00 0.00 36.38 30.95 3dx9 s VAL 158 CO 0.03 0.33 0.60 -0.55 -3.33 0.00 0.00 175.10 172.18 3dx9 s SER 159 N 0.66 6.29 0.08 3.54 0.15 -1.26 -4.83 113.70 118.33 3dx9 s SER 159 Ca 0.21 0.56 -0.30 0.00 0.70 0.00 0.00 55.95 57.12 3dx9 s SER 159 Cb -0.14 -2.08 -0.05 0.00 -1.71 0.00 0.00 66.02 62.04 3dx9 s SER 159 CO 0.07 -0.36 1.00 -1.10 1.20 0.00 0.00 173.24 174.06 3dx9 s GLN 160 N -4.41 4.62 0.18 5.44 -1.52 -1.26 -4.84 119.66 117.87 3dx9 s GLN 160 Ca 0.42 1.50 -0.31 0.00 -1.95 0.00 0.00 55.36 55.01 3dx9 s GLN 160 Cb -0.10 -3.39 -0.10 0.00 -0.22 0.00 0.00 33.01 29.21 3dx9 s GLN 160 CO 0.38 0.07 1.49 -1.54 -0.25 0.00 0.00 175.29 175.45 3dx9 s SER 161 N 0.40 6.66 0.00 5.90 1.04 -1.26 -4.90 113.70 121.54 3dx9 s SER 161 Ca 0.50 2.57 0.26 0.00 0.48 0.00 0.00 55.95 59.76 3dx9 s SER 161 Cb -0.24 -2.60 0.73 0.00 0.10 0.00 0.00 66.02 64.01 3dx9 s SER 161 CO 0.30 -0.75 1.55 0.29 0.98 0.00 0.00 173.24 175.61 3dx9 n LYS 162 N 3.49 0.38 -2.37 4.02 5.02 -1.26 -4.66 118.16 122.78 3dx9 n LYS 162 Ca 0.11 -0.21 -0.43 0.00 -2.02 0.00 0.00 58.31 55.77 3dx9 n LYS 162 Cb 0.40 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.89 3dx9 n LYS 162 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3dx9 s ASP 163 N -2.76 6.56 0.30 4.39 -1.08 -1.26 -4.93 116.67 117.89 3dx9 s ASP 163 Ca 0.18 1.17 0.05 0.00 -0.52 0.00 0.00 52.55 53.43 3dx9 s ASP 163 Cb 0.19 -2.54 0.46 0.00 -1.46 0.00 0.00 42.92 39.57 3dx9 s ASP 163 CO 0.60 -1.18 1.72 0.28 0.52 0.00 0.00 175.17 177.11 3dx9 h SER 164 N 9.77 0.35 0.61 -0.34 0.02 -2.03 -2.23 113.55 119.70 3dx9 h SER 164 Ca -0.27 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.50 3dx9 h SER 164 Cb 1.11 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 3dx9 h SER 164 CO 1.04 0.66 -0.24 0.44 -1.14 0.00 0.00 176.83 177.59 3dx9 h ASP 165 N 0.30 0.00 -3.35 3.07 5.19 -1.96 -3.42 116.42 116.24 3dx9 h ASP 165 Ca 0.04 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.89 3dx9 h ASP 165 Cb 0.72 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.18 3dx9 h ASP 165 CO 0.06 0.24 0.05 -0.69 -3.12 0.00 0.00 179.24 175.78 3dx9 s VAL 166 N -3.93 4.83 -0.18 -1.35 1.01 -0.84 -4.42 120.40 115.52 3dx9 s VAL 166 Ca -0.01 1.39 -0.00 0.00 0.00 0.00 0.00 61.98 63.36 3dx9 s VAL 166 Cb 0.12 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.51 3dx9 s VAL 166 CO 0.64 0.41 -0.15 -0.31 0.00 0.00 0.00 175.10 175.68 3dx9 s TYR 167 N -0.19 2.82 -0.12 5.22 2.02 0.04 -4.78 117.35 122.36 3dx9 s TYR 167 Ca 0.34 -1.34 0.03 0.00 -0.37 0.00 0.00 57.07 55.72 3dx9 s TYR 167 Cb -0.19 -1.96 -0.00 0.00 -0.40 0.00 0.00 41.96 39.41 3dx9 s TYR 167 CO 0.20 -0.67 -0.21 0.42 -1.57 0.00 0.00 175.55 173.71 3dx9 s ILE 168 N 1.23 2.30 0.70 2.71 1.01 -1.26 -1.25 121.20 126.64 3dx9 s ILE 168 Ca 0.03 -0.92 -0.10 0.00 0.00 0.00 0.00 60.65 59.66 3dx9 s ILE 168 Cb -0.14 -1.92 0.03 0.00 0.01 0.00 0.00 42.46 40.45 3dx9 s ILE 168 CO -0.08 0.55 1.06 0.42 0.00 0.00 0.00 174.94 176.89 3dx9 s THR 169 N 0.48 3.14 0.77 2.92 -4.23 0.02 -4.71 115.64 114.04 3dx9 s THR 169 Ca -0.14 0.21 -0.11 0.00 -1.18 0.00 0.00 61.69 60.47 3dx9 s THR 169 Cb -0.17 -3.34 0.06 0.00 1.34 0.00 0.00 72.50 70.39 3dx9 s THR 169 CO 0.05 -0.42 1.09 -0.62 -0.54 0.00 0.00 174.62 174.18 3dx9 s ASP 170 N -4.40 4.68 0.49 3.99 -1.08 -1.26 -4.52 116.67 114.57 3dx9 s ASP 170 Ca 0.58 1.40 -0.19 0.00 -0.52 0.00 0.00 52.55 53.82 3dx9 s ASP 170 Cb -0.11 -2.16 -0.08 0.00 -1.46 0.00 0.00 42.92 39.10 3dx9 s ASP 170 CO 0.49 -1.86 0.99 -1.59 0.52 0.00 0.00 175.17 173.72 3dx9 s LYS 171 N -5.12 3.93 -0.07 4.34 -2.85 -1.26 -4.62 119.74 114.09 3dx9 s LYS 171 Ca 0.60 1.12 -0.03 0.00 -1.00 0.00 0.00 55.97 56.66 3dx9 s LYS 171 Cb -0.14 -2.13 0.04 0.00 -2.06 0.00 0.00 37.83 33.54 3dx9 s LYS 171 CO 0.54 -0.29 0.15 0.00 0.10 0.00 0.00 175.35 175.85 3dx9 s VAL 173 N 1.19 5.34 0.12 0.00 1.01 -1.26 -1.32 120.40 125.48 3dx9 s VAL 173 Ca -0.09 0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.14 3dx9 s VAL 173 Cb -0.12 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3dx9 s VAL 173 CO -0.06 0.31 -0.04 -1.48 0.00 0.00 0.00 175.10 173.84 3dx9 s LEU 174 N 1.28 3.27 -0.24 3.92 0.05 0.72 -4.95 118.68 122.73 3dx9 s LEU 174 Ca 0.08 -0.31 0.02 0.00 0.05 0.00 0.00 54.13 53.97 3dx9 s LEU 174 Cb -0.14 -2.01 0.06 0.00 -2.05 0.00 0.00 46.19 42.05 3dx9 s LEU 174 CO 0.06 0.15 -0.11 -0.62 -0.55 0.00 0.00 176.35 175.29 3dx9 s ASP 175 N -2.45 4.17 -1.00 1.48 2.15 -1.26 -1.04 116.67 118.72 3dx9 s ASP 175 Ca 0.25 -1.26 -0.22 0.00 0.43 0.00 0.00 52.55 51.75 3dx9 s ASP 175 Cb -0.11 -1.47 0.07 0.00 -0.30 0.00 0.00 42.92 41.11 3dx9 s ASP 175 CO 0.17 -0.18 1.37 -0.04 -0.17 0.00 0.00 175.17 176.32 3dx9 s MET 176 N 1.18 3.60 0.51 4.34 -1.94 0.05 -4.82 119.30 122.22 3dx9 s MET 176 Ca -0.07 -1.31 0.24 0.00 -1.71 0.00 0.00 55.69 52.85 3dx9 s MET 176 Cb -0.19 -5.25 1.36 0.00 2.01 0.00 0.00 34.83 32.76 3dx9 s MET 176 CO -0.06 -2.09 2.06 0.00 -0.01 0.00 0.00 175.02 174.92 3dx9 h ARG 177 N 9.50 0.00 -0.83 2.03 3.08 -1.97 -1.68 114.38 124.51 3dx9 h ARG 177 Ca 0.19 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.28 3dx9 h ARG 177 Cb 1.01 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.01 3dx9 h ARG 177 CO 1.35 0.13 0.54 1.03 -1.07 0.00 0.00 179.97 181.95 3dx9 h SER 178 N 0.00 0.87 -0.09 7.04 0.87 -1.96 -3.15 113.55 117.12 3dx9 h SER 178 Ca -0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3dx9 h SER 178 Cb 0.32 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 3dx9 h SER 178 CO 0.02 0.59 0.00 0.23 -0.53 0.00 0.00 176.83 177.14 3dx9 n MET 179 N -4.45 1.42 -3.46 2.24 2.81 -0.86 -5.02 117.12 109.80 3dx9 n MET 179 Ca 0.11 -1.32 -0.20 0.00 -1.81 0.00 0.00 57.70 54.48 3dx9 n MET 179 Cb 0.13 -1.12 0.03 0.00 -0.71 0.00 0.00 33.22 31.55 3dx9 n MET 179 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3dx9 n ASP 180 N 0.15 -6.16 -3.67 7.83 -0.08 -0.69 -5.01 116.55 108.93 3dx9 n ASP 180 Ca 0.05 -0.72 -0.13 0.00 -1.51 0.00 0.00 54.79 52.47 3dx9 n ASP 180 Cb 0.24 -4.00 -0.13 0.00 2.34 0.00 0.00 41.12 39.57 3dx9 n ASP 180 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 3dx9 s PHE 181 N -3.27 -0.42 0.11 -0.67 5.36 -1.11 -5.04 117.98 112.95 3dx9 s PHE 181 Ca 0.30 0.96 0.03 0.00 -0.96 0.00 0.00 56.93 57.26 3dx9 s PHE 181 Cb -0.08 -0.04 -0.04 0.00 -0.34 0.00 0.00 43.02 42.52 3dx9 s PHE 181 CO 0.81 -0.35 0.13 0.15 -1.46 0.00 0.00 175.22 174.51 3dx9 s LYS 182 N 2.36 3.01 -0.05 10.12 -0.14 -1.26 -0.77 119.74 133.01 3dx9 s LYS 182 Ca 0.01 -0.70 -0.19 0.00 -1.36 0.00 0.00 55.97 53.72 3dx9 s LYS 182 Cb -0.12 -2.77 0.04 0.00 -1.68 0.00 0.00 37.83 33.30 3dx9 s LYS 182 CO -0.08 0.54 0.44 -1.54 -0.76 0.00 0.00 175.35 173.94 3dx9 s SER 183 N -2.69 -0.37 0.17 2.83 1.04 -0.21 -4.99 113.70 109.49 3dx9 s SER 183 Ca 0.31 0.41 0.01 0.00 0.48 0.00 0.00 55.95 57.17 3dx9 s SER 183 Cb -0.12 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 3dx9 s SER 183 CO 0.24 -0.43 0.33 0.20 0.98 0.00 0.00 173.24 174.55 3dx9 s ASN 184 N -0.99 6.35 -0.27 7.02 0.01 -1.26 -0.20 114.94 125.61 3dx9 s ASN 184 Ca -0.10 0.25 -0.25 0.00 -0.71 0.00 0.00 52.86 52.05 3dx9 s ASN 184 Cb -0.03 -1.95 0.11 0.00 0.41 0.00 0.00 41.25 39.79 3dx9 s ASN 184 CO 0.05 0.01 0.95 -0.94 -1.51 0.00 0.00 177.10 175.66 3dx9 s SER 185 N -3.25 -0.52 0.26 -1.22 1.04 -0.43 -1.71 113.70 107.86 3dx9 s SER 185 Ca 0.36 0.97 0.11 0.00 0.48 0.00 0.00 55.95 57.87 3dx9 s SER 185 Cb -0.11 0.98 -0.05 0.00 0.10 0.00 0.00 66.02 66.94 3dx9 s SER 185 CO 0.29 -0.20 -0.15 0.00 0.98 0.00 0.00 173.24 174.16 3dx9 s ALA 186 N 0.15 2.84 -0.03 5.32 0.00 -0.20 -0.56 121.76 129.28 3dx9 s ALA 186 Ca 0.02 -1.76 0.05 0.00 0.00 0.00 0.00 51.96 50.27 3dx9 s ALA 186 Cb -0.05 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 3dx9 s ALA 186 CO -0.04 0.31 -0.16 0.08 0.00 0.00 0.00 175.76 175.95 3dx9 s VAL 187 N -2.28 1.34 0.02 0.00 1.01 -1.26 -1.35 120.40 117.87 3dx9 s VAL 187 Ca 0.29 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.63 3dx9 s VAL 187 Cb -0.06 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 3dx9 s VAL 187 CO 0.16 0.38 -0.15 0.00 0.00 0.00 0.00 175.10 175.49 3dx9 s ALA 188 N -0.13 1.29 0.21 5.51 0.00 -0.15 -0.80 121.76 127.69 3dx9 s ALA 188 Ca 0.00 -0.78 -0.14 0.00 0.00 0.00 0.00 51.96 51.05 3dx9 s ALA 188 Cb -0.09 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.77 3dx9 s ALA 188 CO 0.01 0.29 0.47 1.67 0.00 0.00 0.00 175.76 178.19 3dx9 s TRP 189 N -0.61 0.16 0.16 0.00 -2.14 -0.38 -0.42 118.94 115.70 3dx9 s TRP 189 Ca 0.04 -0.52 -0.25 0.00 2.66 0.00 0.00 56.10 58.04 3dx9 s TRP 189 Cb -0.07 0.24 0.06 0.00 -3.10 0.00 0.00 33.47 30.60 3dx9 s TRP 189 CO 0.00 -0.92 0.96 0.45 -2.66 0.00 0.00 176.95 174.79 3dx9 s SER 190 N -2.95 -0.16 -0.01 -2.66 0.15 -1.26 -0.78 113.70 106.03 3dx9 s SER 190 Ca 0.16 -0.43 0.18 0.00 0.70 0.00 0.00 55.95 56.56 3dx9 s SER 190 Cb -0.00 0.49 -0.24 0.00 -1.71 0.00 0.00 66.02 64.56 3dx9 s SER 190 CO 0.02 -0.92 0.60 0.59 1.20 0.00 0.00 173.24 174.74 3dx9 n ASN 191 N -0.52 0.79 -4.56 5.45 4.13 -1.26 -4.96 115.26 114.33 3dx9 n ASN 191 Ca -0.06 -0.49 -0.35 0.00 1.68 0.00 0.00 54.58 55.37 3dx9 n ASN 191 Cb 0.61 1.41 0.10 0.00 -1.54 0.00 0.00 39.78 40.35 3dx9 n ASN 191 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3dx9 n LYS 192 N -1.77 0.18 0.17 3.52 5.02 -1.26 -4.96 118.16 119.06 3dx9 n LYS 192 Ca 0.00 0.12 -0.08 0.00 -2.02 0.00 0.00 58.31 56.33 3dx9 n LYS 192 Cb 0.38 -2.12 -0.04 0.00 -0.02 0.00 0.00 35.03 33.23 3dx9 n LYS 192 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3dx9 h SER 193 N -0.76 -0.44 -0.45 4.39 0.02 -2.05 -3.29 113.55 110.97 3dx9 h SER 193 Ca -0.46 -0.00 0.16 0.00 -0.84 0.00 0.00 61.79 60.65 3dx9 h SER 193 Cb 1.32 0.11 -0.08 0.00 0.14 0.00 0.00 62.40 63.89 3dx9 h SER 193 CO 0.43 -0.00 0.15 -0.67 -1.14 0.00 0.00 176.83 175.60 3dx9 n ASP 194 N -5.12 0.07 -4.77 3.07 -0.08 -1.26 -4.62 116.55 103.84 3dx9 n ASP 194 Ca -0.07 0.75 -0.41 0.00 -1.51 0.00 0.00 54.79 53.56 3dx9 n ASP 194 Cb 0.21 -0.33 -0.02 0.00 2.34 0.00 0.00 41.12 43.33 3dx9 n ASP 194 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 3dx9 s PHE 195 N -4.91 2.93 0.32 -0.67 5.36 -1.24 -5.02 117.98 114.75 3dx9 s PHE 195 Ca -0.05 1.30 -0.16 0.00 -0.96 0.00 0.00 56.93 57.06 3dx9 s PHE 195 Cb 0.14 -3.78 0.03 0.00 -0.34 0.00 0.00 43.02 39.07 3dx9 s PHE 195 CO 0.35 -2.24 0.68 0.00 -1.46 0.00 0.00 175.22 172.55 3dx9 s ALA 196 N -0.98 -0.70 0.19 11.12 0.00 -1.26 -4.99 121.76 125.15 3dx9 s ALA 196 Ca 0.51 -0.67 0.06 0.00 0.00 0.00 0.00 51.96 51.86 3dx9 s ALA 196 Cb -0.42 0.86 0.08 0.00 0.00 0.00 0.00 23.12 23.64 3dx9 s ALA 196 CO 0.54 -0.97 1.44 0.00 0.00 0.00 0.00 175.76 176.77 3dx9 h ALA 198 N 1.12 2.07 -0.01 0.00 0.00 -1.97 -2.88 119.26 117.58 3dx9 h ALA 198 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dx9 h ALA 198 Cb 1.41 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3dx9 h ALA 198 CO 0.11 -0.36 -0.08 0.27 0.00 0.00 0.00 179.25 179.19 3dx9 n ASN 199 N -4.55 1.58 0.10 0.00 0.23 -1.18 -4.59 115.26 106.84 3dx9 n ASN 199 Ca 0.19 -1.29 -0.13 0.00 -0.53 0.00 0.00 54.58 52.83 3dx9 n ASN 199 Cb 0.63 0.20 -0.06 0.00 -2.08 0.00 0.00 39.78 38.47 3dx9 n ASN 199 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3dx9 h ALA 200 N 1.88 -0.21 -0.46 -2.53 0.00 -0.99 -3.10 119.26 113.85 3dx9 h ALA 200 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3dx9 h ALA 200 Cb 0.39 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3dx9 h ALA 200 CO 0.00 -0.63 0.00 1.19 0.00 0.00 0.00 179.25 179.81 3dx9 n PHE 201 N -5.22 1.66 0.54 0.00 3.72 -1.26 -4.49 117.46 112.41 3dx9 n PHE 201 Ca -0.07 -0.78 0.13 0.00 -0.05 0.00 0.00 57.45 56.67 3dx9 n PHE 201 Cb 0.15 -0.44 0.38 0.00 -0.94 0.00 0.00 39.48 38.62 3dx9 n PHE 201 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3dx9 h ASN 202 N 3.20 0.00 1.64 4.37 4.21 -1.79 -3.16 115.58 124.04 3dx9 h ASN 202 Ca 0.00 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.43 3dx9 h ASN 202 Cb 1.78 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.97 3dx9 h ASN 202 CO 0.39 0.00 -0.36 -0.55 -1.29 0.00 0.00 177.43 175.62 3dx9 h ASN 203 N 0.00 0.00 -4.09 5.81 7.08 -1.79 -3.44 115.58 119.15 3dx9 h ASN 203 Ca 0.00 0.00 -0.45 0.00 -3.08 0.00 0.00 56.30 52.77 3dx9 h ASN 203 Cb 0.76 0.00 0.15 0.00 -2.08 0.00 0.00 38.32 37.15 3dx9 h ASN 203 CO 0.00 0.36 0.34 -0.44 -2.08 0.00 0.00 177.43 175.62 3dx9 s SER 204 N -6.39 3.08 -0.90 6.14 0.01 -1.19 -4.89 113.70 109.56 3dx9 s SER 204 Ca 0.05 0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.90 3dx9 s SER 204 Cb 0.07 -0.87 0.28 0.00 0.21 0.00 0.00 66.02 65.71 3dx9 s SER 204 CO 0.72 -2.78 1.18 -0.38 0.41 0.00 0.00 173.24 172.39 3dx9 n ILE 205 N -3.86 4.10 -1.66 1.44 5.41 -1.26 -5.02 119.36 118.52 3dx9 n ILE 205 Ca 0.12 -5.64 -0.35 0.00 1.00 0.00 0.00 62.75 57.88 3dx9 n ILE 205 Cb 0.60 -2.09 0.07 0.00 -0.71 0.00 0.00 39.64 37.51 3dx9 n ILE 205 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 3dx9 s ILE 206 N -2.66 2.57 0.71 1.39 -4.36 -1.26 -4.85 121.20 112.74 3dx9 s ILE 206 Ca 0.35 0.30 -0.11 0.00 -0.26 0.00 0.00 60.65 60.92 3dx9 s ILE 206 Cb 0.09 -2.92 0.02 0.00 1.25 0.00 0.00 42.46 40.90 3dx9 s ILE 206 CO 0.06 -0.13 1.07 -2.16 0.24 0.00 0.00 174.94 174.02 3dx9 s PRO 207 N -3.78 2.77 0.43 0.37 0.04 -1.26 -4.93 135.00 128.64 3dx9 s PRO 207 Ca 0.74 1.06 0.10 0.00 0.04 0.00 0.00 61.00 62.94 3dx9 s PRO 207 Cb -0.28 -1.96 0.94 0.00 0.04 0.00 0.00 34.50 33.23 3dx9 s PRO 207 CO 0.41 -1.24 2.03 0.93 0.04 0.00 0.00 177.00 179.17 3dx9 h GLU 208 N -0.70 0.30 -0.42 4.56 5.08 -2.03 -2.63 114.58 118.75 3dx9 h GLU 208 Ca -0.44 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3dx9 h GLU 208 Cb 1.22 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3dx9 h GLU 208 CO 0.55 0.27 0.00 -0.40 -1.00 0.00 0.00 179.01 178.43 3dx9 n ASP 209 N -4.42 2.08 -4.67 1.42 5.75 -1.26 -4.96 116.55 110.49 3dx9 n ASP 209 Ca 0.00 -2.07 -0.45 0.00 -0.01 0.00 0.00 54.79 52.27 3dx9 n ASP 209 Cb 0.14 -0.29 -0.03 0.00 -1.03 0.00 0.00 41.12 39.91 3dx9 n ASP 209 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3dx9 n THR 210 N 0.50 0.81 -3.01 2.12 -1.04 -0.99 -4.81 114.28 107.85 3dx9 n THR 210 Ca 0.12 -0.20 -0.41 0.00 -2.04 0.00 0.00 64.05 61.52 3dx9 n THR 210 Cb 0.36 -1.47 -0.05 0.00 -1.82 0.00 0.00 70.33 67.34 3dx9 n THR 210 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3dx9 s PHE 211 N 0.08 3.31 -0.38 -1.42 5.36 0.95 -4.95 117.98 120.93 3dx9 s PHE 211 Ca 0.70 0.98 0.04 0.00 -0.96 0.00 0.00 56.93 57.69 3dx9 s PHE 211 Cb -0.66 -2.93 0.11 0.00 -0.34 0.00 0.00 43.02 39.20 3dx9 s PHE 211 CO 0.48 -0.33 0.10 -0.06 -1.46 0.00 0.00 175.22 173.95 3dx9 s PHE 212 N 2.55 3.63 0.49 10.12 0.08 -1.26 -1.70 117.98 131.89 3dx9 s PHE 212 Ca 0.31 -3.04 -0.21 0.00 0.12 0.00 0.00 56.93 54.11 3dx9 s PHE 212 Cb -0.15 -2.91 -0.10 0.00 -0.57 0.00 0.00 43.02 39.28 3dx9 s PHE 212 CO 0.08 -0.90 0.66 -2.30 -0.10 0.00 0.00 175.22 172.66 3dx9 n PRO 213 N 3.99 0.73 -3.33 0.24 -0.02 -1.26 -5.02 135.00 130.33 3dx9 n PRO 213 Ca 0.04 0.27 -0.13 0.00 -2.02 0.00 0.00 63.50 61.66 3dx9 n PRO 213 Cb 0.40 -1.73 -0.07 0.00 -0.02 0.00 0.00 33.50 32.08 3dx9 n PRO 213 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3dx9 s SER 214 N -1.01 0.69 0.00 2.55 1.04 -1.26 -5.08 113.70 110.64 3dx9 s SER 214 Ca 0.66 -1.22 0.31 0.00 0.48 0.00 0.00 55.95 56.19 3dx9 s SER 214 Cb -0.52 0.85 1.80 0.00 0.10 0.00 0.00 66.02 68.24 3dx9 s SER 214 CO 0.56 -0.27 2.17 -2.65 0.98 0.00 0.00 173.24 174.02