#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cd9 s GLY 2 N 0.00 0.29 0.09 0.00 0.00 -1.26 -4.71 107.32 101.74 1cd9 s GLY 2 Ca 0.00 3.49 0.06 0.00 0.00 0.00 0.00 44.72 48.27 1cd9 s GLY 2 CO 0.00 2.79 -0.15 -0.19 0.00 0.00 0.00 173.10 175.55 1cd9 s TYR 3 N 1.35 1.36 0.49 1.90 2.02 -0.96 -5.06 117.35 118.46 1cd9 s TYR 3 Ca -0.07 -0.49 -0.19 0.00 -0.37 0.00 0.00 57.07 55.95 1cd9 s TYR 3 Cb -0.03 -0.74 -0.08 0.00 -0.40 0.00 0.00 41.96 40.70 1cd9 s TYR 3 CO -0.13 0.11 1.00 -1.25 -1.57 0.00 0.00 175.55 173.71 1cd9 s PRO 4 N -2.11 3.90 0.49 -1.71 0.04 -1.26 -4.77 135.00 129.58 1cd9 s PRO 4 Ca 0.03 1.16 -0.21 0.00 0.04 0.00 0.00 61.00 62.02 1cd9 s PRO 4 Cb -0.08 -2.12 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 1cd9 s PRO 4 CO 0.03 -0.32 0.75 -2.30 0.04 0.00 0.00 177.00 175.20 1cd9 n PRO 5 N -1.16 0.85 -4.00 0.56 -0.02 -1.26 -5.02 135.00 124.94 1cd9 n PRO 5 Ca 0.08 0.31 -0.34 0.00 -2.02 0.00 0.00 63.50 61.54 1cd9 n PRO 5 Cb 0.53 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 32.12 1cd9 n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cd9 s ALA 6 N -1.48 3.77 -0.11 3.55 0.00 -1.26 -4.65 121.76 121.57 1cd9 s ALA 6 Ca 0.67 -0.80 -0.29 0.00 0.00 0.00 0.00 51.96 51.54 1cd9 s ALA 6 Cb -0.52 -1.75 -0.05 0.00 0.00 0.00 0.00 23.12 20.80 1cd9 s ALA 6 CO 0.55 0.70 1.79 -1.12 0.00 0.00 0.00 175.76 177.68 1cd9 s SER 7 N -1.70 6.36 0.56 0.00 0.01 -1.26 -4.83 113.70 112.83 1cd9 s SER 7 Ca 0.23 2.10 -0.19 0.00 1.31 0.00 0.00 55.95 59.40 1cd9 s SER 7 Cb -0.12 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.51 1cd9 s SER 7 CO 0.14 -1.20 0.81 -2.65 0.41 0.00 0.00 173.24 170.75 1cd9 n PRO 8 N 7.62 0.82 -3.61 12.44 -0.02 -1.26 -4.91 135.00 146.08 1cd9 n PRO 8 Ca 0.20 0.31 -0.16 0.00 -2.02 0.00 0.00 63.50 61.83 1cd9 n PRO 8 Cb 0.43 -1.97 -0.05 0.00 -0.02 0.00 0.00 33.50 31.89 1cd9 n PRO 8 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1cd9 n SER 9 N -0.09 0.53 -4.33 2.55 3.41 -0.81 -4.43 113.62 110.46 1cd9 n SER 9 Ca 0.12 -2.50 -0.32 0.00 -0.26 0.00 0.00 58.87 55.91 1cd9 n SER 9 Cb 0.46 0.87 -0.10 0.00 -0.26 0.00 0.00 64.21 65.19 1cd9 n SER 9 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1cd9 n ASN 10 N -1.84 0.66 -4.70 4.04 5.15 -1.26 -1.22 115.26 116.09 1cd9 n ASN 10 Ca -0.01 -1.27 -0.42 0.00 -0.60 0.00 0.00 54.58 52.29 1cd9 n ASN 10 Cb 0.42 -1.63 -0.03 0.00 -0.53 0.00 0.00 39.78 38.00 1cd9 n ASN 10 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1cd9 s LEU 11 N -7.37 4.32 0.05 1.20 2.96 -1.26 -4.36 118.68 114.22 1cd9 s LEU 11 Ca 0.08 1.57 -0.03 0.00 -0.22 0.00 0.00 54.13 55.54 1cd9 s LEU 11 Cb -0.05 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 1cd9 s LEU 11 CO 1.00 -0.33 0.02 -0.94 -1.32 0.00 0.00 176.35 174.78 1cd9 s SER 12 N 1.04 0.38 0.02 3.68 1.04 -0.77 -5.01 113.70 114.08 1cd9 s SER 12 Ca 0.49 -0.86 -0.01 0.00 0.48 0.00 0.00 55.95 56.06 1cd9 s SER 12 Cb -0.20 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.12 1cd9 s SER 12 CO 0.23 -0.59 -0.02 0.00 0.98 0.00 0.00 173.24 173.84 1cd9 s LEU 14 N -1.44 2.03 -0.27 0.00 1.43 -0.01 -4.89 118.68 115.53 1cd9 s LEU 14 Ca -0.16 -0.07 -0.19 0.00 -1.03 0.00 0.00 54.13 52.68 1cd9 s LEU 14 Cb -0.10 -0.02 -0.02 0.00 0.03 0.00 0.00 46.19 46.08 1cd9 s LEU 14 CO -0.01 -0.03 0.57 -0.32 0.23 0.00 0.00 176.35 176.79 1cd9 s MET 15 N -0.19 4.04 -0.36 1.70 -2.45 0.58 -0.79 119.30 121.83 1cd9 s MET 15 Ca -0.02 0.37 -0.15 0.00 -1.25 0.00 0.00 55.69 54.64 1cd9 s MET 15 Cb -0.01 -3.67 -0.01 0.00 1.25 0.00 0.00 34.83 32.39 1cd9 s MET 15 CO -0.00 -0.42 0.33 -1.01 1.05 0.00 0.00 175.02 174.97 1cd9 s HIS 16 N 2.42 3.21 -0.00 4.11 3.76 -0.47 -1.11 115.29 127.21 1cd9 s HIS 16 Ca 0.23 -0.16 0.25 0.00 -0.15 0.00 0.00 55.06 55.23 1cd9 s HIS 16 Cb -0.15 -2.63 0.82 0.00 1.11 0.00 0.00 32.58 31.72 1cd9 s HIS 16 CO 0.09 -0.45 1.78 -0.07 -0.85 0.00 0.00 174.74 175.24 1cd9 h LEU 17 N 8.70 0.00 -0.09 0.89 3.38 -1.87 0.61 115.31 126.92 1cd9 h LEU 17 Ca -0.30 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 1cd9 h LEU 17 Cb 1.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1cd9 h LEU 17 CO 0.69 0.17 -0.01 0.71 0.09 0.00 0.00 178.44 180.09 1cd9 h THR 18 N 0.00 1.28 0.00 0.22 1.35 -1.94 -3.27 112.91 110.55 1cd9 h THR 18 Ca -0.00 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 1cd9 h THR 18 Cb 0.81 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 1cd9 h THR 18 CO 0.02 0.25 -1.16 0.35 -0.25 0.00 0.00 175.52 174.73 1cd9 n THR 19 N -4.79 0.03 -3.42 6.82 -2.24 -1.21 -5.00 114.28 104.47 1cd9 n THR 19 Ca -0.06 -0.14 -0.20 0.00 -2.27 0.00 0.00 64.05 61.37 1cd9 n THR 19 Cb 0.22 0.60 0.05 0.00 -2.10 0.00 0.00 70.33 69.10 1cd9 n THR 19 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1cd9 n ASN 20 N -1.74 -6.21 -3.56 3.42 4.05 0.21 -4.88 115.26 106.55 1cd9 n ASN 20 Ca 0.02 -0.78 -0.17 0.00 0.45 0.00 0.00 54.58 54.11 1cd9 n ASN 20 Cb 0.40 -4.40 -0.06 0.00 1.23 0.00 0.00 39.78 36.94 1cd9 n ASN 20 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1cd9 s SER 21 N -3.37 -0.62 -0.23 1.20 1.04 -1.00 -2.31 113.70 108.40 1cd9 s SER 21 Ca 0.41 0.77 -0.22 0.00 0.48 0.00 0.00 55.95 57.39 1cd9 s SER 21 Cb -0.10 0.66 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 1cd9 s SER 21 CO 0.79 -0.53 0.70 -0.22 0.98 0.00 0.00 173.24 174.96 1cd9 s LEU 22 N -0.94 4.09 -0.17 2.42 2.96 -0.13 -1.37 118.68 125.54 1cd9 s LEU 22 Ca -0.09 0.86 -0.04 0.00 -0.22 0.00 0.00 54.13 54.64 1cd9 s LEU 22 Cb -0.01 -2.98 -0.02 0.00 0.50 0.00 0.00 46.19 43.67 1cd9 s LEU 22 CO 0.08 -0.39 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.99 1cd9 s VAL 23 N 2.46 3.74 -0.03 1.68 1.01 0.03 -0.39 120.40 128.89 1cd9 s VAL 23 Ca 0.30 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.95 1cd9 s VAL 23 Cb -0.16 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 1cd9 s VAL 23 CO 0.09 0.47 -0.25 0.00 0.00 0.00 0.00 175.10 175.41 1cd9 s GLN 25 N -0.43 1.02 0.33 0.00 -2.07 -0.64 -1.47 119.66 116.40 1cd9 s GLN 25 Ca 0.05 -1.31 -0.05 0.00 -1.82 0.00 0.00 55.36 52.23 1cd9 s GLN 25 Cb -0.11 -0.77 0.00 0.00 -1.09 0.00 0.00 33.01 31.05 1cd9 s GLN 25 CO 0.01 0.13 0.49 1.67 -1.32 0.00 0.00 175.29 176.27 1cd9 s TRP 26 N -2.59 0.90 -0.30 9.60 -2.14 -0.89 -1.85 118.94 121.67 1cd9 s TRP 26 Ca 0.11 -1.18 -0.02 0.00 2.66 0.00 0.00 56.10 57.67 1cd9 s TRP 26 Cb -0.02 0.01 0.05 0.00 -3.10 0.00 0.00 33.47 30.41 1cd9 s TRP 26 CO 0.02 -1.14 -0.01 -2.00 -2.66 0.00 0.00 176.95 171.16 1cd9 s GLU 27 N -3.14 2.43 0.23 3.25 2.56 -0.35 -4.86 118.70 118.81 1cd9 s GLU 27 Ca 0.28 -1.26 0.25 0.00 0.00 0.00 0.00 54.97 54.24 1cd9 s GLU 27 Cb -0.01 -3.16 0.90 0.00 2.00 0.00 0.00 34.13 33.86 1cd9 s GLU 27 CO 0.18 -0.61 1.74 -0.35 -0.56 0.00 0.00 175.26 175.66 1cd9 n PRO 28 N 4.62 0.22 0.00 4.30 -0.04 -1.26 -1.92 135.00 140.92 1cd9 n PRO 28 Ca -0.13 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1cd9 n PRO 28 Cb 0.43 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 1cd9 n PRO 28 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cd9 n GLY 29 N 0.63 -1.40 3.48 0.55 0.00 -1.26 -4.48 105.19 102.71 1cd9 n GLY 29 Ca 0.04 -1.28 -0.53 0.00 0.00 0.00 0.00 46.02 44.25 1cd9 n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1cd9 n PRO 30 N -0.10 0.27 -1.99 1.61 -0.02 -1.26 -4.92 135.00 128.59 1cd9 n PRO 30 Ca 0.00 0.09 -0.37 0.00 -2.02 0.00 0.00 63.50 61.20 1cd9 n PRO 30 Cb 0.00 -1.41 0.02 0.00 -0.02 0.00 0.00 33.50 32.09 1cd9 n PRO 30 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1cd9 s GLU 31 N -0.46 3.29 -0.16 -0.52 2.56 -1.26 -4.86 118.70 117.29 1cd9 s GLU 31 Ca 0.77 1.99 0.16 0.00 0.00 0.00 0.00 54.97 57.88 1cd9 s GLU 31 Cb -1.05 -2.22 -0.22 0.00 2.00 0.00 0.00 34.13 32.64 1cd9 s GLU 31 CO 0.56 -1.00 0.09 0.25 -0.56 0.00 0.00 175.26 174.60 1cd9 n THR 32 N -1.01 1.06 -0.68 -1.70 -2.24 -1.26 -4.86 114.28 103.60 1cd9 n THR 32 Ca 0.10 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1cd9 n THR 32 Cb 0.47 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 1cd9 n THR 32 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1cd9 n HIS 33 N -2.59 0.00 -4.25 4.78 8.25 -1.26 -2.26 115.22 117.89 1cd9 n HIS 33 Ca -0.26 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 56.90 1cd9 n HIS 33 Cb 1.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 32.02 1cd9 n HIS 33 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1cd9 s LEU 34 N 0.00 3.21 -0.41 2.41 1.43 -1.26 -4.94 118.68 119.12 1cd9 s LEU 34 Ca 0.00 -0.26 -0.27 0.00 -1.03 0.00 0.00 54.13 52.57 1cd9 s LEU 34 Cb 0.00 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1cd9 s LEU 34 CO 0.00 0.20 2.12 -2.84 0.23 0.00 0.00 176.35 176.06 1cd9 s PRO 35 N -2.06 2.73 0.13 1.29 0.02 -1.26 -4.92 135.00 130.93 1cd9 s PRO 35 Ca 0.22 1.43 0.05 0.00 0.02 0.00 0.00 61.00 62.72 1cd9 s PRO 35 Cb -0.11 -4.41 -0.04 0.00 0.02 0.00 0.00 34.50 29.96 1cd9 s PRO 35 CO 0.14 -2.56 0.05 -0.08 -0.33 0.00 0.00 177.00 174.21 1cd9 s THR 36 N 9.45 4.14 -0.01 0.99 -1.32 -1.26 -4.43 115.64 123.19 1cd9 s THR 36 Ca 0.89 -1.10 0.04 0.00 -1.21 0.00 0.00 61.69 60.30 1cd9 s THR 36 Cb -0.22 -3.04 -0.01 0.00 -1.51 0.00 0.00 72.50 67.72 1cd9 s THR 36 CO 0.29 -0.01 -0.13 -0.94 -2.21 0.00 0.00 174.62 171.63 1cd9 s SER 37 N -2.71 1.49 -0.06 8.08 1.04 0.31 -4.98 113.70 116.86 1cd9 s SER 37 Ca 0.28 -0.23 0.05 0.00 0.48 0.00 0.00 55.95 56.53 1cd9 s SER 37 Cb -0.11 -0.17 -0.01 0.00 0.10 0.00 0.00 66.02 65.83 1cd9 s SER 37 CO 0.20 0.16 -0.21 -0.36 0.98 0.00 0.00 173.24 174.00 1cd9 s PHE 38 N -0.30 2.53 -0.09 5.02 0.40 -1.26 -0.02 117.98 124.27 1cd9 s PHE 38 Ca 0.05 -0.59 -0.00 0.00 -0.60 0.00 0.00 56.93 55.79 1cd9 s PHE 38 Cb -0.05 -1.63 0.02 0.00 0.51 0.00 0.00 43.02 41.87 1cd9 s PHE 38 CO -0.00 -0.13 -0.05 0.42 0.70 0.00 0.00 175.22 176.16 1cd9 s ILE 39 N -0.23 0.75 -0.34 0.64 1.01 -0.52 -1.81 121.20 120.69 1cd9 s ILE 39 Ca -0.01 -0.14 -0.28 0.00 0.00 0.00 0.00 60.65 60.22 1cd9 s ILE 39 Cb -0.13 -0.80 0.02 0.00 0.01 0.00 0.00 42.46 41.55 1cd9 s ILE 39 CO 0.03 0.31 1.05 -0.22 0.00 0.00 0.00 174.94 176.11 1cd9 s LEU 40 N 1.59 3.92 0.08 2.97 2.96 0.15 -1.48 118.68 128.87 1cd9 s LEU 40 Ca 0.01 0.91 0.05 0.00 -0.22 0.00 0.00 54.13 54.89 1cd9 s LEU 40 Cb -0.13 -3.48 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 1cd9 s LEU 40 CO -0.05 -0.90 -0.06 -0.54 -1.32 0.00 0.00 176.35 173.48 1cd9 s LYS 41 N 3.68 2.37 0.12 1.98 1.02 0.10 -0.81 119.74 128.20 1cd9 s LYS 41 Ca 0.44 -0.89 -0.25 0.00 0.02 0.00 0.00 55.97 55.29 1cd9 s LYS 41 Cb -0.12 -2.43 0.07 0.00 -0.52 0.00 0.00 37.83 34.83 1cd9 s LYS 41 CO 0.17 0.54 0.83 -1.54 -0.92 0.00 0.00 175.35 174.43 1cd9 s SER 42 N -2.07 -0.34 -0.05 2.83 1.04 -1.26 -1.76 113.70 112.10 1cd9 s SER 42 Ca 0.22 -0.21 -0.14 0.00 0.48 0.00 0.00 55.95 56.31 1cd9 s SER 42 Cb -0.11 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.54 1cd9 s SER 42 CO 0.14 -0.88 0.32 0.72 0.98 0.00 0.00 173.24 174.51 1cd9 s PHE 43 N -3.41 -0.23 0.40 5.02 -0.12 -0.86 -1.95 117.98 116.82 1cd9 s PHE 43 Ca 0.07 0.45 -0.25 0.00 -0.05 0.00 0.00 56.93 57.15 1cd9 s PHE 43 Cb -0.02 0.10 -0.08 0.00 -0.63 0.00 0.00 43.02 42.39 1cd9 s PHE 43 CO -0.04 -0.32 1.18 1.03 -0.05 0.00 0.00 175.22 177.02 1cd9 s ARG 44 N -0.87 4.03 0.00 1.99 0.52 0.86 -1.19 118.95 124.29 1cd9 s ARG 44 Ca -0.10 1.87 0.00 0.00 -0.52 0.00 0.00 55.73 56.99 1cd9 s ARG 44 Cb -0.04 -2.68 0.00 0.00 0.52 0.00 0.00 34.95 32.75 1cd9 s ARG 44 CO 0.03 -0.35 0.00 0.45 0.02 0.00 0.00 175.30 175.45 1cd9 n SER 45 N 0.06 0.00 -3.70 0.23 2.88 -0.66 -0.96 113.62 111.47 1cd9 n SER 45 Ca 0.04 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.35 1cd9 n SER 45 Cb 0.46 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.84 1cd9 n SER 45 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1cd9 s ARG 46 N 1.85 1.88 0.60 -1.46 1.81 -1.26 -4.31 118.95 118.06 1cd9 s ARG 46 Ca 0.00 -2.13 -0.18 0.00 -1.72 0.00 0.00 55.73 51.70 1cd9 s ARG 46 Cb 0.00 -0.13 -0.05 0.00 -0.45 0.00 0.00 34.95 34.31 1cd9 s ARG 46 CO 0.00 -0.59 0.87 0.00 -0.68 0.00 0.00 175.30 174.90 1cd9 n ALA 47 N -0.79 -0.11 -0.62 2.13 0.00 -1.26 -1.29 120.51 118.56 1cd9 n ALA 47 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cd9 n ALA 47 Cb 0.63 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1cd9 n ALA 47 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1cd9 n ASP 48 N -0.54 0.00 -2.59 0.00 8.00 -1.26 -4.07 116.55 116.09 1cd9 n ASP 48 Ca 0.13 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.54 1cd9 n ASP 48 Cb 0.47 -0.97 -0.00 0.00 -0.02 0.00 0.00 41.12 40.60 1cd9 n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cd9 h GLN 50 N -0.11 0.38 -6.28 0.00 1.08 -1.77 -3.45 115.11 104.95 1cd9 h GLN 50 Ca -0.21 -0.57 -0.54 0.00 -1.45 0.00 0.00 58.65 55.87 1cd9 h GLN 50 Cb 1.15 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.79 1cd9 h GLN 50 CO 0.26 1.25 1.19 -0.47 -0.95 0.00 0.00 178.83 180.11 1cd9 s TYR 51 N -2.68 1.60 -1.24 2.96 5.04 -1.26 -4.94 117.35 116.83 1cd9 s TYR 51 Ca -0.13 -0.05 -0.13 0.00 -2.44 0.00 0.00 57.07 54.33 1cd9 s TYR 51 Cb 0.02 -4.08 0.16 0.00 0.35 0.00 0.00 41.96 38.42 1cd9 s TYR 51 CO 0.85 -4.59 1.59 0.94 -1.34 0.00 0.00 175.55 173.00 1cd9 n GLN 52 N 7.51 3.43 0.00 4.97 -0.06 -1.26 -4.06 117.38 127.90 1cd9 n GLN 52 Ca 0.20 -3.72 0.00 0.00 -2.00 0.00 0.00 57.00 51.48 1cd9 n GLN 52 Cb 0.42 -3.03 0.00 0.00 -4.06 0.00 0.00 30.24 23.58 1cd9 n GLN 52 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1cd9 n GLY 53 N 3.74 -1.01 3.75 1.69 0.00 -0.13 -5.01 105.19 108.24 1cd9 n GLY 53 Ca 0.38 -1.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 1cd9 n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cd9 s ASP 54 N -1.24 5.49 -0.05 1.61 1.11 -1.24 -4.48 116.67 117.87 1cd9 s ASP 54 Ca 0.00 2.62 -0.29 0.00 0.18 0.00 0.00 52.55 55.05 1cd9 s ASP 54 Cb 0.00 -2.62 -0.02 0.00 1.07 0.00 0.00 42.92 41.34 1cd9 s ASP 54 CO 0.00 -1.41 0.97 -0.89 1.18 0.00 0.00 175.17 175.02 1cd9 s THR 55 N -1.39 4.84 -0.07 -1.27 2.01 -1.26 -0.10 115.64 118.41 1cd9 s THR 55 Ca 0.70 2.00 -0.14 0.00 0.31 0.00 0.00 61.69 64.56 1cd9 s THR 55 Cb -0.37 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 67.80 1cd9 s THR 55 CO 0.43 0.10 0.36 -0.63 -0.69 0.00 0.00 174.62 174.19 1cd9 s ILE 56 N 1.45 5.17 0.08 1.82 1.01 -0.82 -4.94 121.20 124.97 1cd9 s ILE 56 Ca 0.49 0.71 -0.37 0.00 0.00 0.00 0.00 60.65 61.49 1cd9 s ILE 56 Cb -0.20 -3.67 -0.17 0.00 0.01 0.00 0.00 42.46 38.43 1cd9 s ILE 56 CO 0.23 0.50 1.27 -2.65 0.00 0.00 0.00 174.94 174.29 1cd9 n PRO 57 N 2.52 0.94 -1.69 2.79 -0.02 -1.26 -4.41 135.00 133.86 1cd9 n PRO 57 Ca -0.13 0.34 -0.39 0.00 -2.02 0.00 0.00 63.50 61.29 1cd9 n PRO 57 Cb 0.52 -1.94 0.03 0.00 -0.02 0.00 0.00 33.50 32.10 1cd9 n PRO 57 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1cd9 n ASP 58 N 2.30 2.08 -4.19 2.55 8.00 -1.26 -4.85 116.55 121.17 1cd9 n ASP 58 Ca 0.18 0.98 -0.35 0.00 0.71 0.00 0.00 54.79 56.32 1cd9 n ASP 58 Cb 0.18 -1.49 -0.14 0.00 -0.02 0.00 0.00 41.12 39.65 1cd9 n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cd9 s VAL 60 N 1.28 5.12 0.12 0.00 -7.23 -1.26 0.34 120.40 118.77 1cd9 s VAL 60 Ca -0.03 0.92 -0.30 0.00 -1.81 0.00 0.00 61.98 60.76 1cd9 s VAL 60 Cb -0.19 -3.79 -0.06 0.00 0.56 0.00 0.00 36.38 32.91 1cd9 s VAL 60 CO -0.02 0.41 1.01 0.00 -0.31 0.00 0.00 175.10 176.19 1cd9 s ALA 61 N 0.06 3.28 0.76 1.32 0.00 -0.75 -4.99 121.76 121.43 1cd9 s ALA 61 Ca 0.25 0.65 -0.14 0.00 0.00 0.00 0.00 51.96 52.72 1cd9 s ALA 61 Cb -0.16 -3.31 0.06 0.00 0.00 0.00 0.00 23.12 19.71 1cd9 s ALA 61 CO 0.11 -0.11 1.17 0.15 0.00 0.00 0.00 175.76 177.08 1cd9 s LYS 62 N 0.03 2.02 0.42 0.00 -0.14 -1.26 -4.77 119.74 116.04 1cd9 s LYS 62 Ca 0.49 1.61 -0.26 0.00 -1.36 0.00 0.00 55.97 56.45 1cd9 s LYS 62 Cb -0.25 -1.83 -0.10 0.00 -1.68 0.00 0.00 37.83 33.97 1cd9 s LYS 62 CO 0.31 -1.90 1.35 0.36 -0.76 0.00 0.00 175.35 174.71 1cd9 n LYS 63 N -3.06 2.13 -0.21 1.68 2.85 -1.26 -2.31 118.16 117.98 1cd9 n LYS 63 Ca 0.12 0.76 0.00 0.00 -1.05 0.00 0.00 58.31 58.14 1cd9 n LYS 63 Cb 0.51 -2.49 0.00 0.00 -0.65 0.00 0.00 35.03 32.40 1cd9 n LYS 63 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1cd9 n ARG 64 N 0.05 0.00 -3.18 -1.58 1.85 -1.26 -4.91 116.66 107.63 1cd9 n ARG 64 Ca 0.05 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.51 1cd9 n ARG 64 Cb 0.40 -3.99 -0.06 0.00 -1.05 0.00 0.00 32.46 27.76 1cd9 n ARG 64 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1cd9 s GLN 65 N -0.35 4.34 -0.66 2.89 -1.52 -0.98 -4.97 119.66 118.41 1cd9 s GLN 65 Ca 0.00 0.63 -0.00 0.00 -1.95 0.00 0.00 55.36 54.04 1cd9 s GLN 65 Cb 0.00 -3.48 0.41 0.00 -0.22 0.00 0.00 33.01 29.73 1cd9 s GLN 65 CO 0.00 0.03 1.85 0.09 -0.25 0.00 0.00 175.29 177.01 1cd9 n ASN 66 N 4.05 7.05 -3.46 5.90 3.02 -1.26 -4.60 115.26 125.97 1cd9 n ASN 66 Ca -0.04 -3.80 -0.14 0.00 -0.03 0.00 0.00 54.58 50.58 1cd9 n ASN 66 Cb 0.51 -0.89 -0.03 0.00 -0.61 0.00 0.00 39.78 38.76 1cd9 n ASN 66 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1cd9 s ASN 67 N -1.94 -0.60 0.03 6.41 2.20 -1.26 -2.10 114.94 117.68 1cd9 s ASN 67 Ca 0.57 0.25 -0.06 0.00 -0.94 0.00 0.00 52.86 52.69 1cd9 s ASN 67 Cb 0.46 0.57 -0.01 0.00 -2.00 0.00 0.00 41.25 40.28 1cd9 s ASN 67 CO -0.16 -0.84 0.10 0.00 -2.94 0.00 0.00 177.10 173.27 1cd9 s SER 69 N -2.03 2.96 -0.31 0.00 0.15 -1.26 -1.39 113.70 111.81 1cd9 s SER 69 Ca -0.06 -0.52 -0.11 0.00 0.70 0.00 0.00 55.95 55.96 1cd9 s SER 69 Cb -0.02 -1.21 -0.02 0.00 -1.71 0.00 0.00 66.02 63.06 1cd9 s SER 69 CO -0.04 0.17 0.19 -0.63 1.20 0.00 0.00 173.24 174.13 1cd9 s ILE 70 N 0.24 4.98 0.51 6.45 1.01 0.47 -4.94 121.20 129.93 1cd9 s ILE 70 Ca -0.15 -0.21 -0.21 0.00 0.00 0.00 0.00 60.65 60.08 1cd9 s ILE 70 Cb -0.17 -3.50 -0.06 0.00 0.01 0.00 0.00 42.46 38.74 1cd9 s ILE 70 CO 0.07 0.09 1.17 -2.16 0.00 0.00 0.00 174.94 174.11 1cd9 s PRO 71 N 1.68 3.48 0.43 2.79 0.04 -1.26 -0.96 135.00 141.21 1cd9 s PRO 71 Ca 0.06 1.74 0.21 0.00 0.04 0.00 0.00 61.00 63.05 1cd9 s PRO 71 Cb -0.17 -2.19 1.18 0.00 0.04 0.00 0.00 34.50 33.36 1cd9 s PRO 71 CO 0.09 -0.77 1.81 -0.09 0.04 0.00 0.00 177.00 178.08 1cd9 h ARG 72 N 1.55 0.31 0.00 4.56 1.12 -1.80 0.15 114.38 120.28 1cd9 h ARG 72 Ca -0.50 -0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 58.35 1cd9 h ARG 72 Cb 1.26 -0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 31.15 1cd9 h ARG 72 CO 0.58 0.21 -0.00 1.57 -3.11 0.00 0.00 179.97 179.21 1cd9 h LYS 73 N 0.32 0.00 0.00 0.20 2.10 -1.91 -1.92 116.57 115.37 1cd9 h LYS 73 Ca 0.54 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.19 1cd9 h LYS 73 Cb 1.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.82 1cd9 h LYS 73 CO -0.20 0.00 -0.93 0.09 -2.00 0.00 0.00 179.45 176.41 1cd9 n ASN 74 N -3.39 0.82 -4.90 7.07 5.03 0.51 -4.97 115.26 115.43 1cd9 n ASN 74 Ca -0.03 -0.74 -0.31 0.00 0.87 0.00 0.00 54.58 54.37 1cd9 n ASN 74 Cb 0.09 0.86 -0.04 0.00 -1.02 0.00 0.00 39.78 39.66 1cd9 n ASN 74 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1cd9 s LEU 75 N -3.13 4.30 -0.44 3.41 1.43 -0.72 -4.91 118.68 118.62 1cd9 s LEU 75 Ca 0.08 0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 53.64 1cd9 s LEU 75 Cb 0.16 -3.15 0.12 0.00 0.03 0.00 0.00 46.19 43.35 1cd9 s LEU 75 CO 0.83 0.10 0.23 -0.22 0.23 0.00 0.00 176.35 177.52 1cd9 s LEU 76 N -2.56 5.12 0.50 1.79 2.96 -1.26 -4.97 118.68 120.27 1cd9 s LEU 76 Ca 0.38 -2.26 -0.22 0.00 -0.22 0.00 0.00 54.13 51.81 1cd9 s LEU 76 Cb -0.12 -1.79 -0.06 0.00 0.50 0.00 0.00 46.19 44.71 1cd9 s LEU 76 CO 0.25 -0.47 1.24 -0.76 -1.32 0.00 0.00 176.35 175.29 1cd9 s LEU 77 N 0.80 3.94 -0.75 -0.68 1.43 -1.26 -3.59 118.68 118.57 1cd9 s LEU 77 Ca 0.11 2.48 -0.01 0.00 -1.03 0.00 0.00 54.13 55.68 1cd9 s LEU 77 Cb -0.22 -4.27 0.00 0.00 0.03 0.00 0.00 46.19 41.73 1cd9 s LEU 77 CO -0.04 -1.19 0.09 -1.22 0.23 0.00 0.00 176.35 174.21 1cd9 n TYR 78 N -0.74 -0.57 -3.72 0.29 4.01 -1.26 -5.04 117.16 110.13 1cd9 n TYR 78 Ca 0.09 0.07 -0.14 0.00 -0.16 0.00 0.00 57.90 57.76 1cd9 n TYR 78 Cb 0.47 -2.37 -0.09 0.00 -0.31 0.00 0.00 39.34 37.04 1cd9 n TYR 78 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1cd9 s GLN 79 N -4.64 0.62 0.70 -0.72 2.00 -1.24 -5.11 119.66 111.27 1cd9 s GLN 79 Ca 0.04 0.23 -0.13 0.00 -2.00 0.00 0.00 55.36 53.50 1cd9 s GLN 79 Cb -0.02 0.29 0.02 0.00 0.80 0.00 0.00 33.01 34.10 1cd9 s GLN 79 CO 0.05 -0.14 1.10 0.71 -0.50 0.00 0.00 175.29 176.51 1cd9 s TYR 80 N -0.56 2.65 -0.04 1.67 1.51 -1.26 -4.37 117.35 116.95 1cd9 s TYR 80 Ca -0.07 1.54 -0.13 0.00 -1.01 0.00 0.00 57.07 57.41 1cd9 s TYR 80 Cb -0.04 -3.10 0.02 0.00 -0.11 0.00 0.00 41.96 38.74 1cd9 s TYR 80 CO 0.03 -1.67 0.29 0.00 -1.11 0.00 0.00 175.55 173.09 1cd9 s MET 81 N -4.43 0.55 -0.17 -0.62 0.23 0.12 -1.66 119.30 113.32 1cd9 s MET 81 Ca 0.64 -0.04 -0.13 0.00 -1.03 0.00 0.00 55.69 55.13 1cd9 s MET 81 Cb -0.19 0.25 -0.05 0.00 -1.53 0.00 0.00 34.83 33.31 1cd9 s MET 81 CO 0.47 -0.13 0.25 0.00 -2.03 0.00 0.00 175.02 173.58 1cd9 s ALA 82 N -0.91 3.62 -0.02 3.16 0.00 -0.33 -2.16 121.76 125.12 1cd9 s ALA 82 Ca -0.10 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.37 1cd9 s ALA 82 Cb -0.05 -2.33 -0.00 0.00 0.00 0.00 0.00 23.12 20.74 1cd9 s ALA 82 CO 0.03 0.11 -0.10 0.42 0.00 0.00 0.00 175.76 176.21 1cd9 s ILE 83 N 0.44 0.87 0.08 0.00 1.01 -0.11 -2.03 121.20 121.46 1cd9 s ILE 83 Ca 0.14 -0.42 -0.17 0.00 0.00 0.00 0.00 60.65 60.20 1cd9 s ILE 83 Cb -0.12 -0.76 0.04 0.00 0.01 0.00 0.00 42.46 41.62 1cd9 s ILE 83 CO 0.02 0.26 0.41 -1.66 0.00 0.00 0.00 174.94 173.97 1cd9 s TRP 84 N 0.07 -0.24 0.02 3.97 -2.14 -0.72 -0.40 118.94 119.51 1cd9 s TRP 84 Ca -0.01 0.07 0.06 0.00 2.66 0.00 0.00 56.10 58.87 1cd9 s TRP 84 Cb -0.08 0.24 -0.03 0.00 -3.10 0.00 0.00 33.47 30.50 1cd9 s TRP 84 CO 0.00 -0.63 -0.14 0.54 -2.66 0.00 0.00 176.95 174.06 1cd9 s VAL 85 N -3.11 3.08 -0.11 -0.66 0.11 -1.26 -0.72 120.40 117.74 1cd9 s VAL 85 Ca -0.01 -1.01 0.02 0.00 -2.93 0.00 0.00 61.98 58.04 1cd9 s VAL 85 Cb 0.01 -2.31 0.01 0.00 -1.53 0.00 0.00 36.38 32.56 1cd9 s VAL 85 CO -0.07 0.38 -0.16 -1.58 -3.33 0.00 0.00 175.10 170.33 1cd9 s GLN 86 N -1.37 2.32 -0.26 1.54 0.74 -0.55 -1.35 119.66 120.72 1cd9 s GLN 86 Ca 0.15 -0.60 -0.10 0.00 0.05 0.00 0.00 55.36 54.86 1cd9 s GLN 86 Cb -0.11 -1.92 -0.05 0.00 1.10 0.00 0.00 33.01 32.03 1cd9 s GLN 86 CO 0.06 -0.02 0.16 0.00 -0.55 0.00 0.00 175.29 174.94 1cd9 s ALA 87 N 0.86 3.48 -0.24 1.58 0.00 -0.59 -1.44 121.76 125.41 1cd9 s ALA 87 Ca -0.09 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 50.82 1cd9 s ALA 87 Cb -0.15 -2.37 0.03 0.00 0.00 0.00 0.00 23.12 20.63 1cd9 s ALA 87 CO 0.00 -0.45 -0.08 -2.00 0.00 0.00 0.00 175.76 173.23 1cd9 s GLU 88 N 1.56 2.80 0.26 0.00 2.12 0.97 -2.01 118.70 124.39 1cd9 s GLU 88 Ca 0.07 -1.00 0.10 0.00 0.36 0.00 0.00 54.97 54.50 1cd9 s GLU 88 Cb -0.15 -2.93 -0.05 0.00 0.26 0.00 0.00 34.13 31.25 1cd9 s GLU 88 CO 0.08 -0.40 -0.17 1.21 -0.54 0.00 0.00 175.26 175.45 1cd9 s ASN 89 N 1.30 3.22 0.00 -1.70 2.47 -0.27 -0.53 114.94 119.43 1cd9 s ASN 89 Ca -0.00 -1.04 0.01 0.00 0.42 0.00 0.00 52.86 52.25 1cd9 s ASN 89 Cb -0.17 -0.24 0.05 0.00 -1.45 0.00 0.00 41.25 39.44 1cd9 s ASN 89 CO -0.05 -0.05 0.98 0.80 -3.72 0.00 0.00 177.10 175.05 1cd9 n MET 90 N -0.54 0.00 -0.10 0.43 0.00 -1.26 -1.91 117.12 113.74 1cd9 n MET 90 Ca -0.06 0.43 0.05 0.00 -0.00 0.00 0.00 57.70 58.12 1cd9 n MET 90 Cb 0.60 -1.50 0.07 0.00 0.00 0.00 0.00 33.22 32.40 1cd9 n MET 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1cd9 n LEU 91 N -1.44 1.78 0.00 -0.89 4.77 -1.26 -5.11 117.00 114.85 1cd9 n LEU 91 Ca 0.00 -2.31 0.00 0.00 -0.03 0.00 0.00 56.01 53.68 1cd9 n LEU 91 Cb 0.01 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1cd9 n LEU 91 CO 0.01 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1cd9 n GLY 92 N -0.90 -0.32 3.08 -0.72 0.00 -0.80 -4.57 105.19 100.96 1cd9 n GLY 92 Ca 0.08 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 1cd9 n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cd9 s SER 93 N 0.00 0.12 0.12 1.61 0.01 -1.26 -1.11 113.70 113.19 1cd9 s SER 93 Ca 0.00 -0.36 -0.06 0.00 1.31 0.00 0.00 55.95 56.84 1cd9 s SER 93 Cb 0.00 0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.39 1cd9 s SER 93 CO 0.00 -0.38 0.17 -0.94 0.41 0.00 0.00 173.24 172.50 1cd9 s SER 94 N -1.57 0.18 0.02 2.44 1.04 -0.85 -4.91 113.70 110.05 1cd9 s SER 94 Ca -0.13 -0.90 -0.06 0.00 0.48 0.00 0.00 55.95 55.34 1cd9 s SER 94 Cb -0.07 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 1cd9 s SER 94 CO -0.00 -0.78 0.10 -1.61 0.98 0.00 0.00 173.24 171.93 1cd9 s GLU 95 N -3.95 0.50 0.46 4.02 2.02 -1.26 -1.54 118.70 118.94 1cd9 s GLU 95 Ca 0.14 -0.55 -0.05 0.00 0.02 0.00 0.00 54.97 54.54 1cd9 s GLU 95 Cb 0.05 0.20 -0.04 0.00 0.10 0.00 0.00 34.13 34.44 1cd9 s GLU 95 CO -0.04 -0.12 0.75 -1.54 0.02 0.00 0.00 175.26 174.34 1cd9 s SER 96 N -1.64 6.28 0.71 -0.19 1.04 -0.46 -4.46 113.70 114.98 1cd9 s SER 96 Ca -0.12 0.87 -0.15 0.00 0.48 0.00 0.00 55.95 57.04 1cd9 s SER 96 Cb -0.06 -2.22 0.03 0.00 0.10 0.00 0.00 66.02 63.87 1cd9 s SER 96 CO -0.01 -0.53 1.17 -2.16 0.98 0.00 0.00 173.24 172.69 1cd9 s PRO 97 N -4.64 2.32 0.11 4.02 0.04 -1.26 -4.64 135.00 130.95 1cd9 s PRO 97 Ca 0.47 1.62 -0.30 0.00 0.04 0.00 0.00 61.00 62.83 1cd9 s PRO 97 Cb -0.10 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 1cd9 s PRO 97 CO 0.43 -1.67 1.05 0.15 0.04 0.00 0.00 177.00 177.00 1cd9 s LYS 98 N -4.00 4.60 -0.04 4.56 1.02 -1.26 -4.73 119.74 119.88 1cd9 s LYS 98 Ca 0.71 1.60 -0.04 0.00 0.02 0.00 0.00 55.97 58.27 1cd9 s LYS 98 Cb -0.26 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 1cd9 s LYS 98 CO 0.44 0.05 0.17 -1.17 -0.92 0.00 0.00 175.35 173.92 1cd9 s LEU 99 N 0.19 4.36 -0.26 3.17 2.96 0.46 -4.92 118.68 124.64 1cd9 s LEU 99 Ca 0.50 0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.80 1cd9 s LEU 99 Cb -0.26 -2.48 0.07 0.00 0.50 0.00 0.00 46.19 44.02 1cd9 s LEU 99 CO 0.31 0.30 -0.03 0.00 -1.32 0.00 0.00 176.35 175.61 1cd9 s LEU 101 N 1.31 0.96 -0.19 0.00 0.05 -0.92 -4.91 118.68 114.99 1cd9 s LEU 101 Ca -0.02 -1.29 -0.01 0.00 0.05 0.00 0.00 54.13 52.86 1cd9 s LEU 101 Cb -0.19 0.69 0.00 0.00 -2.05 0.00 0.00 46.19 44.64 1cd9 s LEU 101 CO -0.08 -0.91 -0.12 -0.62 -0.55 0.00 0.00 176.35 174.07 1cd9 s ASP 102 N -3.13 3.79 0.34 1.48 -1.08 -1.26 0.11 116.67 116.92 1cd9 s ASP 102 Ca 0.35 -0.48 0.15 0.00 -0.52 0.00 0.00 52.55 52.05 1cd9 s ASP 102 Cb 0.05 -1.61 1.12 0.00 -1.46 0.00 0.00 42.92 41.02 1cd9 s ASP 102 CO 0.11 0.02 1.62 -0.65 0.52 0.00 0.00 175.17 176.80 1cd9 h PRO 103 N 7.79 0.16 0.00 4.34 0.11 -1.87 0.37 132.00 142.90 1cd9 h PRO 103 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1cd9 h PRO 103 Cb 1.16 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1cd9 h PRO 103 CO 0.60 0.11 0.00 -1.33 -0.21 0.00 0.00 178.00 177.17 1cd9 n MET 104 N -5.18 0.05 0.00 1.05 2.81 -1.26 -2.36 117.12 112.24 1cd9 n MET 104 Ca 0.32 0.24 0.12 0.00 -1.81 0.00 0.00 57.70 56.58 1cd9 n MET 104 Cb 1.05 -1.50 0.33 0.00 -0.71 0.00 0.00 33.22 32.38 1cd9 n MET 104 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1cd9 n ASP 105 N -1.45 0.41 -1.92 7.83 8.00 0.13 -4.00 116.55 125.55 1cd9 n ASP 105 Ca 0.04 -0.07 -0.10 0.00 0.71 0.00 0.00 54.79 55.37 1cd9 n ASP 105 Cb 0.15 0.08 0.06 0.00 -0.02 0.00 0.00 41.12 41.39 1cd9 n ASP 105 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1cd9 n VAL 106 N -1.53 1.95 -2.25 2.53 0.24 -0.99 -3.75 118.33 114.53 1cd9 n VAL 106 Ca 0.06 -3.46 -0.41 0.00 -2.04 0.00 0.00 64.34 58.49 1cd9 n VAL 106 Cb 0.34 -0.21 -0.03 0.00 -1.47 0.00 0.00 33.84 32.47 1cd9 n VAL 106 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1cd9 s VAL 107 N -3.77 3.21 -0.42 3.34 1.01 -1.25 -0.31 120.40 122.21 1cd9 s VAL 107 Ca 0.41 1.05 -0.20 0.00 0.00 0.00 0.00 61.98 63.24 1cd9 s VAL 107 Cb 0.38 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 33.11 1cd9 s VAL 107 CO -0.02 0.18 0.63 -0.75 0.00 0.00 0.00 175.10 175.15 1cd9 s LYS 108 N -0.53 3.36 0.19 2.72 2.20 -0.27 -4.50 119.74 122.91 1cd9 s LYS 108 Ca 0.54 -0.30 -0.10 0.00 -0.36 0.00 0.00 55.97 55.75 1cd9 s LYS 108 Cb -0.36 -3.92 -0.07 0.00 -1.51 0.00 0.00 37.83 31.97 1cd9 s LYS 108 CO 0.41 -0.94 0.51 -1.17 -0.36 0.00 0.00 175.35 173.79 1cd9 s LEU 109 N 2.77 4.23 0.07 5.43 2.96 -1.26 -4.65 118.68 128.22 1cd9 s LEU 109 Ca 0.22 0.88 0.07 0.00 -0.22 0.00 0.00 54.13 55.08 1cd9 s LEU 109 Cb -0.14 -3.49 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 1cd9 s LEU 109 CO 0.18 -0.00 -0.14 -1.61 -1.32 0.00 0.00 176.35 173.46 1cd9 s GLU 110 N -2.57 2.11 0.74 1.98 2.02 -1.26 -4.42 118.70 117.30 1cd9 s GLU 110 Ca 0.43 -0.99 -0.16 0.00 0.02 0.00 0.00 54.97 54.28 1cd9 s GLU 110 Cb -0.12 -2.26 -0.01 0.00 0.10 0.00 0.00 34.13 31.84 1cd9 s GLU 110 CO 0.21 0.53 0.76 -0.35 0.02 0.00 0.00 175.26 176.43 1cd9 n PRO 111 N 1.14 0.34 -1.68 0.39 -0.04 -1.26 -4.59 135.00 129.30 1cd9 n PRO 111 Ca -0.15 0.17 -0.32 0.00 -0.04 0.00 0.00 63.50 63.16 1cd9 n PRO 111 Cb 0.52 -2.04 0.04 0.00 -0.04 0.00 0.00 33.50 31.99 1cd9 n PRO 111 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1cd9 s PRO 112 N -3.15 2.93 -0.75 0.54 0.04 -1.26 -4.43 135.00 128.93 1cd9 s PRO 112 Ca 0.69 1.10 -0.22 0.00 0.04 0.00 0.00 61.00 62.60 1cd9 s PRO 112 Cb -0.34 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.30 1cd9 s PRO 112 CO 0.55 -1.11 1.06 -1.64 0.04 0.00 0.00 177.00 175.90 1cd9 s MET 113 N -4.66 3.25 -0.19 4.56 -1.94 -0.50 -4.83 119.30 114.98 1cd9 s MET 113 Ca 0.61 -0.98 -0.08 0.00 -1.71 0.00 0.00 55.69 53.53 1cd9 s MET 113 Cb -0.16 -4.44 -0.04 0.00 2.01 0.00 0.00 34.83 32.20 1cd9 s MET 113 CO 0.49 -1.87 0.07 -1.17 -0.01 0.00 0.00 175.02 172.53 1cd9 s LEU 114 N 4.02 3.83 0.03 -0.03 2.96 -1.26 -2.41 118.68 125.81 1cd9 s LEU 114 Ca 0.27 0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 54.23 1cd9 s LEU 114 Cb -0.12 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 1cd9 s LEU 114 CO 0.05 0.14 0.00 0.00 -1.32 0.00 0.00 176.35 175.23 1cd9 s GLN 115 N 0.55 0.47 0.69 1.98 -2.07 -0.81 -5.03 119.66 115.44 1cd9 s GLN 115 Ca 0.04 -0.84 -0.11 0.00 -1.82 0.00 0.00 55.36 52.63 1cd9 s GLN 115 Cb -0.13 0.17 0.00 0.00 -1.09 0.00 0.00 33.01 31.97 1cd9 s GLN 115 CO 0.01 -0.09 1.07 0.00 -1.32 0.00 0.00 175.29 174.96 1cd9 s ALA 116 N -2.52 2.87 -0.18 2.60 0.00 -1.26 -2.43 121.76 120.84 1cd9 s ALA 116 Ca -0.06 -0.21 -0.05 0.00 0.00 0.00 0.00 51.96 51.64 1cd9 s ALA 116 Cb -0.02 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 1cd9 s ALA 116 CO -0.05 -1.06 -0.01 -0.51 0.00 0.00 0.00 175.76 174.13 1cd9 s LEU 117 N -5.36 3.29 -1.25 0.00 1.43 -0.73 -4.86 118.68 111.20 1cd9 s LEU 117 Ca 0.57 -0.16 -0.20 0.00 -1.03 0.00 0.00 54.13 53.32 1cd9 s LEU 117 Cb -0.12 -1.82 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 1cd9 s LEU 117 CO 0.53 0.11 1.85 -0.67 0.23 0.00 0.00 176.35 178.39 1cd9 n ASP 118 N 3.97 4.09 0.00 2.29 4.64 -1.26 -4.77 116.55 125.51 1cd9 n ASP 118 Ca -0.17 -2.82 0.00 0.00 -1.38 0.00 0.00 54.79 50.41 1cd9 n ASP 118 Cb 0.52 -1.72 0.00 0.00 -1.04 0.00 0.00 41.12 38.88 1cd9 n ASP 118 CO 0.00 0.00 0.00 -0.38 -0.82 0.00 0.00 177.20 176.00 1cd9 n ILE 119 N 6.83 0.00 -1.59 5.18 2.08 -1.26 -5.23 119.36 125.38 1cd9 n ILE 119 Ca 0.48 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.79 1cd9 n ILE 119 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.35 1cd9 n ILE 119 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 1cd9 n GLN 127 N 0.00 -3.71 -3.96 0.38 7.27 -1.26 -5.28 117.38 110.83 1cd9 n GLN 127 Ca 0.00 2.75 -0.32 0.00 0.07 0.00 0.00 57.00 59.50 1cd9 n GLN 127 Cb 0.00 -3.22 -0.05 0.00 2.41 0.00 0.00 30.24 29.38 1cd9 n GLN 127 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1cd9 s PRO 128 N -3.19 3.32 0.00 3.69 0.04 -1.26 -4.66 135.00 132.93 1cd9 s PRO 128 Ca 0.00 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.61 1cd9 s PRO 128 Cb 0.00 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.54 1cd9 s PRO 128 CO 0.00 0.64 0.00 0.41 0.04 0.00 0.00 177.00 178.09 1cd9 n GLY 129 N 0.69 0.78 3.55 0.56 0.00 -1.10 -4.59 105.19 105.08 1cd9 n GLY 129 Ca -0.09 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 1cd9 n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cd9 s LEU 131 N -3.45 1.15 -0.07 0.00 1.43 -0.67 -2.29 118.68 114.78 1cd9 s LEU 131 Ca 0.29 0.04 0.05 0.00 -1.03 0.00 0.00 54.13 53.49 1cd9 s LEU 131 Cb -0.06 0.97 -0.00 0.00 0.03 0.00 0.00 46.19 47.13 1cd9 s LEU 131 CO 0.17 -0.36 -0.23 0.26 0.23 0.00 0.00 176.35 176.42 1cd9 s TRP 132 N -1.11 2.32 0.35 0.29 0.51 -1.26 -1.58 118.94 118.47 1cd9 s TRP 132 Ca -0.12 -0.79 0.07 0.00 -2.12 0.00 0.00 56.10 53.14 1cd9 s TRP 132 Cb -0.06 -1.54 -0.07 0.00 -0.81 0.00 0.00 33.47 30.99 1cd9 s TRP 132 CO 0.03 -0.28 -0.03 -0.51 -0.51 0.00 0.00 176.95 175.64 1cd9 s LEU 133 N 0.08 2.66 -0.15 2.99 1.43 -0.35 -1.77 118.68 123.58 1cd9 s LEU 133 Ca -0.09 -1.28 -0.14 0.00 -1.03 0.00 0.00 54.13 51.58 1cd9 s LEU 133 Cb -0.15 -0.81 0.04 0.00 0.03 0.00 0.00 46.19 45.30 1cd9 s LEU 133 CO 0.05 -0.37 0.40 -0.55 0.23 0.00 0.00 176.35 176.11 1cd9 s SER 134 N -3.60 -0.42 -0.04 2.29 0.15 -1.02 -1.14 113.70 109.93 1cd9 s SER 134 Ca 0.33 0.80 -0.15 0.00 0.70 0.00 0.00 55.95 57.64 1cd9 s SER 134 Cb 0.06 0.81 0.03 0.00 -1.71 0.00 0.00 66.02 65.21 1cd9 s SER 134 CO 0.16 -0.14 0.33 -1.66 1.20 0.00 0.00 173.24 173.13 1cd9 s TRP 135 N 0.20 -0.25 0.09 3.44 -2.14 -0.89 -1.92 118.94 117.46 1cd9 s TRP 135 Ca -0.00 0.46 0.04 0.00 2.66 0.00 0.00 56.10 59.26 1cd9 s TRP 135 Cb -0.03 0.12 -0.03 0.00 -3.10 0.00 0.00 33.47 30.42 1cd9 s TRP 135 CO 0.01 -0.35 -0.11 0.15 -2.66 0.00 0.00 176.95 173.98 1cd9 s LYS 136 N -0.97 0.83 0.82 3.25 1.02 -1.01 -1.95 119.74 121.73 1cd9 s LYS 136 Ca -0.10 -1.08 -0.12 0.00 0.02 0.00 0.00 55.97 54.69 1cd9 s LYS 136 Cb -0.04 -0.63 0.11 0.00 -0.52 0.00 0.00 37.83 36.74 1cd9 s LYS 136 CO 0.04 0.12 1.18 -1.25 -0.92 0.00 0.00 175.35 174.51 1cd9 s PRO 137 N -2.39 1.68 -0.11 -1.68 0.04 -1.24 -1.42 135.00 129.88 1cd9 s PRO 137 Ca 0.02 -0.12 -0.29 0.00 0.04 0.00 0.00 61.00 60.65 1cd9 s PRO 137 Cb -0.06 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 1cd9 s PRO 137 CO 0.01 -1.72 1.92 -0.46 0.04 0.00 0.00 177.00 176.78 1cd9 s TRP 138 N -3.58 1.52 0.27 0.56 -0.00 -1.26 -4.63 118.94 111.82 1cd9 s TRP 138 Ca 0.65 0.13 -0.07 0.00 -0.00 0.00 0.00 56.10 56.81 1cd9 s TRP 138 Cb -0.09 -4.06 0.47 0.00 -0.00 0.00 0.00 33.47 29.79 1cd9 s TRP 138 CO 0.49 -4.33 1.58 -0.22 -0.00 0.00 0.00 176.95 174.47 1cd9 h LYS 139 N 11.76 0.01 -0.01 5.86 3.64 -1.94 0.14 116.57 136.03 1cd9 h LYS 139 Ca -0.42 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1cd9 h LYS 139 Cb 1.21 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1cd9 h LYS 139 CO 0.96 0.01 0.13 -1.35 -2.27 0.00 0.00 179.45 176.94 1cd9 h PRO 140 N 0.01 0.00 -0.36 1.90 0.11 -1.97 -1.39 132.00 130.30 1cd9 h PRO 140 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1cd9 h PRO 140 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1cd9 h PRO 140 CO -0.90 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 175.76 1cd9 n SER 141 N -3.08 3.24 0.33 -2.05 3.41 0.48 -4.70 113.62 111.25 1cd9 n SER 141 Ca -0.02 -2.22 0.17 0.00 -0.26 0.00 0.00 58.87 56.54 1cd9 n SER 141 Cb 0.20 -0.32 0.88 0.00 -0.26 0.00 0.00 64.21 64.71 1cd9 n SER 141 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1cd9 h GLU 142 N 2.16 0.00 -0.00 4.33 4.11 -1.15 -0.83 114.58 123.21 1cd9 h GLU 142 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1cd9 h GLU 142 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1cd9 h GLU 142 CO 0.05 0.00 -0.06 2.48 0.07 0.00 0.00 179.01 181.55 1cd9 n TYR 143 N -2.97 0.00 -3.54 2.06 4.11 -1.26 -4.76 117.16 110.80 1cd9 n TYR 143 Ca -0.02 0.00 -0.37 0.00 -0.00 0.00 0.00 57.90 57.51 1cd9 n TYR 143 Cb 0.34 -0.32 -0.07 0.00 -0.00 0.00 0.00 39.34 39.30 1cd9 n TYR 143 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.86 178.27 1cd9 s MET 144 N -2.69 4.15 -0.13 -3.48 1.75 -0.32 -5.05 119.30 113.53 1cd9 s MET 144 Ca 0.24 0.15 -0.29 0.00 -1.25 0.00 0.00 55.69 54.54 1cd9 s MET 144 Cb 0.20 -3.38 -0.01 0.00 2.84 0.00 0.00 34.83 34.48 1cd9 s MET 144 CO 0.50 0.34 1.09 -2.00 -0.65 0.00 0.00 175.02 174.30 1cd9 s GLU 145 N 0.14 4.34 0.34 4.11 2.56 -1.26 -4.98 118.70 123.96 1cd9 s GLU 145 Ca 0.18 1.49 0.07 0.00 0.00 0.00 0.00 54.97 56.71 1cd9 s GLU 145 Cb -0.14 -3.60 -0.07 0.00 2.00 0.00 0.00 34.13 32.33 1cd9 s GLU 145 CO 0.06 -0.47 -0.04 -0.65 -0.56 0.00 0.00 175.26 173.60 1cd9 s GLN 146 N 2.52 1.77 -0.02 4.30 -0.21 -1.26 -0.48 119.66 126.27 1cd9 s GLN 146 Ca 0.50 -1.94 0.03 0.00 0.02 0.00 0.00 55.36 53.97 1cd9 s GLN 146 Cb -0.20 -1.45 -0.00 0.00 1.00 0.00 0.00 33.01 32.36 1cd9 s GLN 146 CO 0.16 0.03 -0.11 -2.00 -2.12 0.00 0.00 175.29 171.25 1cd9 s GLU 147 N -3.70 1.03 0.13 2.91 2.12 -0.52 -3.49 118.70 117.18 1cd9 s GLU 147 Ca 0.33 -0.37 0.08 0.00 0.36 0.00 0.00 54.97 55.37 1cd9 s GLU 147 Cb 0.05 -0.96 -0.04 0.00 0.26 0.00 0.00 34.13 33.45 1cd9 s GLU 147 CO 0.16 0.18 -0.20 0.00 -0.54 0.00 0.00 175.26 174.86 1cd9 s GLU 149 N -2.26 2.49 -0.06 0.00 2.02 -0.86 -0.33 118.70 119.71 1cd9 s GLU 149 Ca 0.10 -0.76 0.05 0.00 0.02 0.00 0.00 54.97 54.38 1cd9 s GLU 149 Cb -0.08 -2.31 -0.01 0.00 0.10 0.00 0.00 34.13 31.82 1cd9 s GLU 149 CO 0.05 0.56 -0.22 -1.17 0.02 0.00 0.00 175.26 174.50 1cd9 s LEU 150 N -0.58 2.23 -0.04 1.80 2.96 -0.72 -2.24 118.68 122.09 1cd9 s LEU 150 Ca 0.08 -0.44 0.06 0.00 -0.22 0.00 0.00 54.13 53.61 1cd9 s LEU 150 Cb -0.11 -1.42 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 1cd9 s LEU 150 CO 0.01 0.26 -0.21 0.00 -1.32 0.00 0.00 176.35 175.09 1cd9 s ARG 151 N -0.27 2.03 0.01 1.98 1.70 -0.18 -1.97 118.95 122.26 1cd9 s ARG 151 Ca 0.00 -0.76 0.01 0.00 -0.47 0.00 0.00 55.73 54.51 1cd9 s ARG 151 Cb -0.13 -1.80 -0.01 0.00 -0.57 0.00 0.00 34.95 32.44 1cd9 s ARG 151 CO 0.03 0.35 -0.03 1.52 -1.08 0.00 0.00 175.30 176.09 1cd9 s TYR 152 N -0.19 0.27 -0.03 5.89 1.13 -0.64 -1.68 117.35 122.10 1cd9 s TYR 152 Ca -0.00 -0.31 -0.15 0.00 -1.41 0.00 0.00 57.07 55.20 1cd9 s TYR 152 Cb -0.11 -0.18 0.02 0.00 -1.10 0.00 0.00 41.96 40.59 1cd9 s TYR 152 CO 0.02 -0.10 0.32 1.14 -2.51 0.00 0.00 175.55 174.42 1cd9 s GLN 153 N -0.89 0.64 0.36 -3.49 -2.07 -0.87 -1.35 119.66 111.99 1cd9 s GLN 153 Ca -0.08 -0.11 -0.25 0.00 -1.82 0.00 0.00 55.36 53.10 1cd9 s GLN 153 Cb -0.06 0.29 -0.10 0.00 -1.09 0.00 0.00 33.01 32.05 1cd9 s GLN 153 CO -0.00 -0.17 0.96 -1.25 -1.32 0.00 0.00 175.29 173.51 1cd9 s PRO 154 N -1.16 4.44 -0.63 9.60 0.04 -1.26 -0.86 135.00 145.16 1cd9 s PRO 154 Ca -0.12 1.32 -0.27 0.00 0.04 0.00 0.00 61.00 61.97 1cd9 s PRO 154 Cb -0.05 -2.62 -0.00 0.00 0.04 0.00 0.00 34.50 31.86 1cd9 s PRO 154 CO 0.04 0.14 1.65 -0.65 0.04 0.00 0.00 177.00 178.22 1cd9 s GLN 155 N -2.37 2.87 0.03 4.56 -0.21 0.61 -4.70 119.66 120.45 1cd9 s GLN 155 Ca 0.54 0.38 -0.00 0.00 0.02 0.00 0.00 55.36 56.30 1cd9 s GLN 155 Cb -0.17 -4.30 0.00 0.00 1.00 0.00 0.00 33.01 29.54 1cd9 s GLN 155 CO 0.22 -2.47 0.04 1.28 -2.12 0.00 0.00 175.29 172.25 1cd9 n LEU 156 N 11.43 0.00 -4.55 2.90 4.77 -1.26 -4.89 117.00 125.39 1cd9 n LEU 156 Ca 0.15 -0.23 -0.37 0.00 -0.03 0.00 0.00 56.01 55.53 1cd9 n LEU 156 Cb 0.51 0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.78 1cd9 n LEU 156 CO 0.71 -0.05 1.76 -0.75 -1.33 0.00 0.00 177.39 177.72 1cd9 s LYS 157 N -2.06 2.40 -0.97 3.23 2.20 -1.26 -3.41 119.74 119.87 1cd9 s LYS 157 Ca 0.02 0.89 -0.11 0.00 -0.36 0.00 0.00 55.97 56.42 1cd9 s LYS 157 Cb -0.00 -4.48 -0.01 0.00 -1.51 0.00 0.00 37.83 31.83 1cd9 s LYS 157 CO 0.02 -2.99 0.74 0.41 -0.36 0.00 0.00 175.35 173.17 1cd9 n GLY 158 N 5.86 -1.13 3.76 5.54 0.00 -1.26 -4.90 105.19 113.06 1cd9 n GLY 158 Ca 0.27 0.50 -0.34 0.00 0.00 0.00 0.00 46.02 46.45 1cd9 n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cd9 s ALA 159 N -3.25 2.48 -0.13 4.61 0.00 -1.22 -5.02 121.76 119.23 1cd9 s ALA 159 Ca 0.26 0.78 -0.04 0.00 0.00 0.00 0.00 51.96 52.96 1cd9 s ALA 159 Cb -0.09 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 1cd9 s ALA 159 CO 0.84 -1.22 0.01 1.21 0.00 0.00 0.00 175.76 176.59 1cd9 s ASN 160 N -2.07 5.23 0.13 0.00 2.47 -1.26 -5.04 114.94 114.40 1cd9 s ASN 160 Ca 0.72 0.06 -0.31 0.00 0.42 0.00 0.00 52.86 53.75 1cd9 s ASN 160 Cb -0.25 -1.70 -0.08 0.00 -1.45 0.00 0.00 41.25 37.77 1cd9 s ASN 160 CO 0.37 0.27 1.36 0.26 -3.72 0.00 0.00 177.10 175.63 1cd9 s TRP 161 N -0.22 3.26 -0.15 0.43 0.23 -1.26 -4.67 118.94 116.55 1cd9 s TRP 161 Ca 0.06 1.04 -0.04 0.00 -2.03 0.00 0.00 56.10 55.13 1cd9 s TRP 161 Cb -0.12 -3.65 -0.03 0.00 0.03 0.00 0.00 33.47 29.70 1cd9 s TRP 161 CO 0.02 -2.19 -0.01 0.99 0.96 0.00 0.00 176.95 176.71 1cd9 s THR 162 N 0.85 4.12 0.14 2.01 2.01 -0.46 -4.95 115.64 119.36 1cd9 s THR 162 Ca 0.62 -0.28 0.07 0.00 0.31 0.00 0.00 61.69 62.41 1cd9 s THR 162 Cb -0.36 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 1cd9 s THR 162 CO 0.32 0.50 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.93 1cd9 s LEU 163 N 0.16 3.13 -0.12 4.42 1.02 -1.26 -1.63 118.68 124.40 1cd9 s LEU 163 Ca -0.00 -0.43 -0.00 0.00 0.02 0.00 0.00 54.13 53.72 1cd9 s LEU 163 Cb -0.13 -1.85 0.03 0.00 0.02 0.00 0.00 46.19 44.25 1cd9 s LEU 163 CO 0.02 0.13 -0.08 -0.69 0.02 0.00 0.00 176.35 175.75 1cd9 s VAL 164 N -1.50 1.10 0.35 -1.59 1.01 -0.83 -5.02 120.40 113.92 1cd9 s VAL 164 Ca 0.24 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.94 1cd9 s VAL 164 Cb -0.10 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1cd9 s VAL 164 CO 0.16 0.36 0.32 -0.36 0.00 0.00 0.00 175.10 175.57 1cd9 s PHE 165 N 1.67 2.86 -1.38 5.22 0.08 -1.26 -1.75 117.98 123.42 1cd9 s PHE 165 Ca 0.05 -0.34 -0.02 0.00 0.12 0.00 0.00 56.93 56.73 1cd9 s PHE 165 Cb -0.13 -1.89 0.01 0.00 -0.57 0.00 0.00 43.02 40.45 1cd9 s PHE 165 CO -0.08 0.11 0.62 0.72 -0.10 0.00 0.00 175.22 176.49 1cd9 n HIS 166 N -1.42 -1.84 -3.30 0.36 8.25 -1.20 -4.97 115.22 111.08 1cd9 n HIS 166 Ca -0.00 0.81 -0.32 0.00 -0.26 0.00 0.00 57.72 57.94 1cd9 n HIS 166 Cb 0.60 -4.06 -0.06 0.00 1.12 0.00 0.00 29.99 27.59 1cd9 n HIS 166 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1cd9 s LEU 167 N -6.86 4.13 0.86 2.41 1.43 0.55 -4.86 118.68 116.34 1cd9 s LEU 167 Ca 0.09 1.07 -0.11 0.00 -1.03 0.00 0.00 54.13 54.15 1cd9 s LEU 167 Cb -0.05 -3.83 0.11 0.00 0.03 0.00 0.00 46.19 42.45 1cd9 s LEU 167 CO 0.85 -0.12 1.10 -2.16 0.23 0.00 0.00 176.35 176.24 1cd9 s PRO 168 N -2.86 1.54 0.48 1.29 0.04 -1.26 -0.21 135.00 134.02 1cd9 s PRO 168 Ca 0.50 1.09 0.22 0.00 0.04 0.00 0.00 61.00 62.85 1cd9 s PRO 168 Cb -0.11 -1.82 1.22 0.00 0.04 0.00 0.00 34.50 33.84 1cd9 s PRO 168 CO 0.20 -2.12 2.01 1.03 0.04 0.00 0.00 177.00 178.15 1cd9 h SER 169 N -1.48 0.00 -4.89 6.66 0.87 -1.93 -3.40 113.55 109.39 1cd9 h SER 169 Ca -0.46 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 59.97 1cd9 h SER 169 Cb 1.26 0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 63.02 1cd9 h SER 169 CO 0.51 0.17 -0.31 -0.94 -0.53 0.00 0.00 176.83 175.73 1cd9 s SER 170 N -6.46 -0.17 -0.10 6.23 1.04 -1.26 -3.59 113.70 109.39 1cd9 s SER 170 Ca -0.03 0.09 -0.05 0.00 0.48 0.00 0.00 55.95 56.44 1cd9 s SER 170 Cb 0.14 0.32 0.05 0.00 0.10 0.00 0.00 66.02 66.63 1cd9 s SER 170 CO 0.63 -0.41 0.23 -0.54 0.98 0.00 0.00 173.24 174.14 1cd9 s LYS 171 N -1.21 0.19 -0.00 4.02 -0.14 -0.82 -4.98 119.74 116.80 1cd9 s LYS 171 Ca -0.13 0.51 -0.22 0.00 -1.36 0.00 0.00 55.97 54.78 1cd9 s LYS 171 Cb -0.05 -0.13 -0.19 0.00 -1.68 0.00 0.00 37.83 35.77 1cd9 s LYS 171 CO 0.04 -0.17 1.19 -0.44 -0.76 0.00 0.00 175.35 175.21 1cd9 h ASP 172 N 7.23 0.31 -3.17 2.83 3.32 -1.86 -2.37 116.42 122.70 1cd9 h ASP 172 Ca -0.40 -0.62 -0.16 0.00 0.02 0.00 0.00 57.03 55.86 1cd9 h ASP 172 Cb 1.15 -0.09 -0.29 0.00 0.22 0.00 0.00 39.33 40.33 1cd9 h ASP 172 CO 0.38 0.88 -0.41 0.00 -1.72 0.00 0.00 179.24 178.36 1cd9 s GLN 173 N -3.74 0.28 -0.15 3.56 -2.07 -1.25 -4.48 119.66 111.81 1cd9 s GLN 173 Ca -0.15 0.70 -0.01 0.00 -1.82 0.00 0.00 55.36 54.08 1cd9 s GLN 173 Cb 0.03 -0.04 0.04 0.00 -1.09 0.00 0.00 33.01 31.96 1cd9 s GLN 173 CO 0.75 -0.18 -0.03 0.12 -1.32 0.00 0.00 175.29 174.62 1cd9 s PHE 174 N 1.58 1.45 -0.19 9.60 5.36 -0.29 -4.94 117.98 130.55 1cd9 s PHE 174 Ca -0.07 -0.91 -0.21 0.00 -0.96 0.00 0.00 56.93 54.78 1cd9 s PHE 174 Cb -0.10 -1.20 -0.03 0.00 -0.34 0.00 0.00 43.02 41.36 1cd9 s PHE 174 CO -0.11 -0.57 0.63 -2.00 -1.46 0.00 0.00 175.22 171.71 1cd9 s GLU 175 N 1.72 4.23 -0.18 10.12 2.12 -1.26 -1.21 118.70 134.22 1cd9 s GLU 175 Ca 0.01 0.63 0.01 0.00 0.36 0.00 0.00 54.97 55.98 1cd9 s GLU 175 Cb -0.15 -3.57 0.02 0.00 0.26 0.00 0.00 34.13 30.69 1cd9 s GLU 175 CO -0.07 -0.21 -0.19 -1.17 -0.54 0.00 0.00 175.26 173.07 1cd9 s LEU 176 N 1.81 2.20 0.00 2.70 2.96 -0.61 -5.01 118.68 122.73 1cd9 s LEU 176 Ca 0.29 -0.66 0.03 0.00 -0.22 0.00 0.00 54.13 53.57 1cd9 s LEU 176 Cb -0.16 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 1cd9 s LEU 176 CO 0.11 -0.01 0.11 0.00 -1.32 0.00 0.00 176.35 175.24 1cd9 n GLY 178 N -0.05 0.41 3.46 0.00 0.00 -0.91 -4.98 105.19 103.12 1cd9 n GLY 178 Ca -0.05 -1.06 -0.44 0.00 0.00 0.00 0.00 46.02 44.47 1cd9 n GLY 178 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cd9 s LEU 179 N -0.09 5.06 0.00 0.99 1.43 -0.41 -4.78 118.68 120.88 1cd9 s LEU 179 Ca 0.00 -2.65 0.12 0.00 -1.03 0.00 0.00 54.13 50.57 1cd9 s LEU 179 Cb 0.00 -2.40 0.12 0.00 0.03 0.00 0.00 46.19 43.94 1cd9 s LEU 179 CO 0.00 -0.86 0.93 1.41 0.23 0.00 0.00 176.35 178.07 1cd9 n HIS 180 N 5.96 0.05 0.72 0.29 8.25 -1.26 -4.55 115.22 124.69 1cd9 n HIS 180 Ca 0.32 -0.05 0.13 0.00 -0.26 0.00 0.00 57.72 57.86 1cd9 n HIS 180 Cb 0.45 -0.00 0.48 0.00 1.12 0.00 0.00 29.99 32.04 1cd9 n HIS 180 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1cd9 n GLN 181 N 0.69 0.15 -3.64 -0.41 6.02 -1.26 -4.95 117.38 113.99 1cd9 n GLN 181 Ca 0.08 0.17 -0.04 0.00 -0.01 0.00 0.00 57.00 57.20 1cd9 n GLN 181 Cb 0.33 -1.69 -0.01 0.00 1.02 0.00 0.00 30.24 29.88 1cd9 n GLN 181 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cd9 s ALA 182 N -3.08 -1.88 -0.54 -1.58 0.00 -1.26 -4.96 121.76 108.45 1cd9 s ALA 182 Ca 0.11 0.67 0.26 0.00 0.00 0.00 0.00 51.96 52.99 1cd9 s ALA 182 Cb 0.14 0.42 0.84 0.00 0.00 0.00 0.00 23.12 24.52 1cd9 s ALA 182 CO 0.53 -0.90 1.75 -1.00 0.00 0.00 0.00 175.76 176.15 1cd9 h PRO 183 N 2.00 0.00 -3.64 0.00 0.13 -1.92 -3.45 132.00 125.13 1cd9 h PRO 183 Ca -0.23 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.65 1cd9 h PRO 183 Cb 1.22 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.05 1cd9 h PRO 183 CO 0.27 0.00 -0.71 0.08 -0.23 0.00 0.00 178.00 177.41 1cd9 s VAL 184 N -3.23 -0.02 0.13 1.56 1.01 -1.26 -3.90 120.40 114.69 1cd9 s VAL 184 Ca 0.07 0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.22 1cd9 s VAL 184 Cb 0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 36.38 36.40 1cd9 s VAL 184 CO 0.55 0.03 -0.24 -0.31 0.00 0.00 0.00 175.10 175.13 1cd9 s TYR 185 N 0.37 2.08 -0.11 5.22 1.51 -0.62 -0.29 117.35 125.51 1cd9 s TYR 185 Ca -0.03 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.62 1cd9 s TYR 185 Cb -0.04 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.67 1cd9 s TYR 185 CO -0.01 0.31 -0.05 0.99 -1.11 0.00 0.00 175.55 175.69 1cd9 s THR 186 N -1.27 3.87 0.05 -0.71 2.01 -0.04 -1.26 115.64 118.28 1cd9 s THR 186 Ca 0.12 -0.40 0.04 0.00 0.31 0.00 0.00 61.69 61.77 1cd9 s THR 186 Cb -0.09 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.76 1cd9 s THR 186 CO 0.06 0.56 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.66 1cd9 s LEU 187 N -0.34 2.21 0.09 4.42 1.02 0.94 -2.06 118.68 124.96 1cd9 s LEU 187 Ca 0.06 -0.51 -0.10 0.00 0.02 0.00 0.00 54.13 53.60 1cd9 s LEU 187 Cb -0.12 -0.49 0.00 0.00 0.02 0.00 0.00 46.19 45.61 1cd9 s LEU 187 CO 0.02 -0.04 0.22 -1.10 0.02 0.00 0.00 176.35 175.48 1cd9 s GLN 188 N -1.36 0.88 -0.05 1.70 -0.21 -0.68 -0.55 119.66 119.38 1cd9 s GLN 188 Ca -0.01 -0.91 -0.12 0.00 0.02 0.00 0.00 55.36 54.33 1cd9 s GLN 188 Cb -0.09 0.36 0.02 0.00 1.00 0.00 0.00 33.01 34.31 1cd9 s GLN 188 CO 0.01 -0.29 0.29 1.41 -2.12 0.00 0.00 175.29 174.59 1cd9 s MET 189 N -3.83 0.52 0.05 2.91 1.75 -1.26 -1.01 119.30 118.43 1cd9 s MET 189 Ca 0.04 0.03 0.00 0.00 -1.25 0.00 0.00 55.69 54.51 1cd9 s MET 189 Cb 0.04 0.24 -0.03 0.00 2.84 0.00 0.00 34.83 37.91 1cd9 s MET 189 CO -0.11 -0.12 -0.05 -0.98 -0.65 0.00 0.00 175.02 173.11 1cd9 s ARG 190 N -0.74 0.58 0.18 4.11 1.70 -0.95 -0.82 118.95 123.01 1cd9 s ARG 190 Ca -0.08 -1.04 0.02 0.00 -0.47 0.00 0.00 55.73 54.16 1cd9 s ARG 190 Cb -0.04 0.01 -0.05 0.00 -0.57 0.00 0.00 34.95 34.30 1cd9 s ARG 190 CO 0.02 -0.05 0.00 0.00 -1.08 0.00 0.00 175.30 174.19 1cd9 s ILE 192 N -3.62 0.13 0.23 0.00 2.07 -0.43 -0.54 121.20 119.05 1cd9 s ILE 192 Ca 0.25 -1.07 -0.30 0.00 -1.41 0.00 0.00 60.65 58.12 1cd9 s ILE 192 Cb 0.06 -1.14 -0.10 0.00 0.13 0.00 0.00 42.46 41.41 1cd9 s ILE 192 CO 0.05 -0.59 1.46 -0.60 -1.91 0.00 0.00 174.94 173.35 1cd9 s ARG 193 N -3.26 4.26 -0.10 3.50 3.52 -1.26 -1.44 118.95 124.17 1cd9 s ARG 193 Ca 0.00 2.30 -0.23 0.00 -0.13 0.00 0.00 55.73 57.67 1cd9 s ARG 193 Cb 0.02 -3.12 -0.03 0.00 -1.56 0.00 0.00 34.95 30.26 1cd9 s ARG 193 CO -0.08 -0.45 0.70 0.45 -0.81 0.00 0.00 175.30 175.11 1cd9 s SER 194 N 0.52 6.93 0.00 -2.12 0.15 0.36 -4.19 113.70 115.36 1cd9 s SER 194 Ca 0.61 1.13 0.00 0.00 0.70 0.00 0.00 55.95 58.39 1cd9 s SER 194 Cb -0.42 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 1cd9 s SER 194 CO 0.41 -0.18 0.00 -1.20 1.20 0.00 0.00 173.24 173.47 1cd9 n SER 195 N 4.17 -0.43 -4.26 5.45 7.64 -1.26 -4.87 113.62 120.04 1cd9 n SER 195 Ca -0.01 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 1cd9 n SER 195 Cb 0.51 -1.80 -0.10 0.00 -1.01 0.00 0.00 64.21 61.81 1cd9 n SER 195 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1cd9 s LEU 196 N 0.00 1.72 0.22 -3.43 1.43 -1.26 -5.12 118.68 112.24 1cd9 s LEU 196 Ca 0.00 -1.43 -0.31 0.00 -1.03 0.00 0.00 54.13 51.36 1cd9 s LEU 196 Cb 0.00 0.00 -0.11 0.00 0.03 0.00 0.00 46.19 46.12 1cd9 s LEU 196 CO 0.00 -0.76 1.55 -2.84 0.23 0.00 0.00 176.35 174.54 1cd9 s PRO 197 N -3.96 4.20 0.00 1.29 0.02 -1.26 -4.79 135.00 130.49 1cd9 s PRO 197 Ca 0.37 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.80 1cd9 s PRO 197 Cb 0.07 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.49 1cd9 s PRO 197 CO 0.15 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.65 1cd9 n GLY 198 N 2.98 0.81 3.95 0.52 0.00 -1.25 -4.53 105.19 107.67 1cd9 n GLY 198 Ca 0.11 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 1cd9 n GLY 198 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cd9 s PHE 199 N -2.00 3.44 0.60 1.61 0.08 -1.26 -4.81 117.98 115.63 1cd9 s PHE 199 Ca 0.00 0.28 -0.16 0.00 0.12 0.00 0.00 56.93 57.17 1cd9 s PHE 199 Cb 0.00 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.48 1cd9 s PHE 199 CO 0.00 0.07 1.06 -1.58 -0.10 0.00 0.00 175.22 174.67 1cd9 s TRP 200 N -2.32 2.95 0.73 0.36 0.52 -1.26 -4.55 118.94 115.36 1cd9 s TRP 200 Ca 0.41 1.51 -0.08 0.00 0.02 0.00 0.00 56.10 57.96 1cd9 s TRP 200 Cb -0.10 -3.03 0.07 0.00 -1.15 0.00 0.00 33.47 29.26 1cd9 s TRP 200 CO 0.36 -1.18 1.06 -1.54 0.02 0.00 0.00 176.95 175.66 1cd9 s SER 201 N -2.76 4.73 0.78 2.95 1.04 0.30 -4.85 113.70 115.89 1cd9 s SER 201 Ca 0.64 0.54 -0.11 0.00 0.48 0.00 0.00 55.95 57.49 1cd9 s SER 201 Cb -0.17 -1.15 0.06 0.00 0.10 0.00 0.00 66.02 64.87 1cd9 s SER 201 CO 0.37 -1.68 1.09 -2.84 0.98 0.00 0.00 173.24 171.17 1cd9 s PRO 202 N -5.33 2.22 0.31 4.02 0.02 -1.26 -4.61 135.00 130.37 1cd9 s PRO 202 Ca 0.61 0.69 -0.28 0.00 0.02 0.00 0.00 61.00 62.03 1cd9 s PRO 202 Cb -0.11 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.39 1cd9 s PRO 202 CO 0.46 -1.54 1.07 -1.58 -0.33 0.00 0.00 177.00 175.08 1cd9 s TRP 203 N -3.14 3.54 0.78 6.54 0.52 -1.26 -4.25 118.94 121.68 1cd9 s TRP 203 Ca 0.60 1.71 -0.13 0.00 0.02 0.00 0.00 56.10 58.30 1cd9 s TRP 203 Cb -0.14 -3.22 0.07 0.00 -1.15 0.00 0.00 33.47 29.03 1cd9 s TRP 203 CO 0.54 -0.47 1.17 -1.54 0.02 0.00 0.00 176.95 176.67 1cd9 s SER 204 N -1.08 3.92 0.30 2.95 1.04 0.00 -4.92 113.70 115.91 1cd9 s SER 204 Ca 0.47 2.23 -0.30 0.00 0.48 0.00 0.00 55.95 58.83 1cd9 s SER 204 Cb -0.29 -2.57 -0.12 0.00 0.10 0.00 0.00 66.02 63.14 1cd9 s SER 204 CO 0.37 -2.44 1.61 -0.81 0.98 0.00 0.00 173.24 172.94 1cd9 n PRO 205 N -3.23 2.73 -1.62 4.02 -0.04 -1.26 -4.55 135.00 131.06 1cd9 n PRO 205 Ca 0.12 0.97 -0.50 0.00 -0.04 0.00 0.00 63.50 64.06 1cd9 n PRO 205 Cb 0.51 -2.76 -0.05 0.00 -0.04 0.00 0.00 33.50 31.16 1cd9 n PRO 205 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cd9 n GLY 206 N 2.18 0.70 3.81 0.55 0.00 -1.26 -4.84 105.19 106.32 1cd9 n GLY 206 Ca 0.08 0.67 -0.36 0.00 0.00 0.00 0.00 46.02 46.42 1cd9 n GLY 206 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cd9 s LEU 207 N 0.63 4.31 -0.35 0.99 1.43 0.28 -4.89 118.68 121.08 1cd9 s LEU 207 Ca 0.82 0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 54.29 1cd9 s LEU 207 Cb -0.85 -2.11 0.09 0.00 0.03 0.00 0.00 46.19 43.35 1cd9 s LEU 207 CO 0.44 0.29 0.10 -1.10 0.23 0.00 0.00 176.35 176.31 1cd9 s GLN 208 N -0.35 2.08 0.06 1.70 -0.21 -1.26 -0.04 119.66 121.64 1cd9 s GLN 208 Ca 0.12 -1.62 0.08 0.00 0.02 0.00 0.00 55.36 53.97 1cd9 s GLN 208 Cb -0.12 -3.36 -0.03 0.00 1.00 0.00 0.00 33.01 30.50 1cd9 s GLN 208 CO 0.02 -0.87 -0.20 -0.51 -2.12 0.00 0.00 175.29 171.60 1cd9 s LEU 209 N 1.14 2.53 -0.20 2.90 1.43 -0.39 -4.95 118.68 121.14 1cd9 s LEU 209 Ca 0.03 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.52 1cd9 s LEU 209 Cb -0.21 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 1cd9 s LEU 209 CO -0.04 0.24 0.20 -0.13 0.23 0.00 0.00 176.35 176.85 1cd9 s ARG 210 N -1.58 4.17 0.70 1.70 0.52 -1.26 -1.58 118.95 121.62 1cd9 s ARG 210 Ca 0.15 -0.12 -0.12 0.00 -0.52 0.00 0.00 55.73 55.12 1cd9 s ARG 210 Cb -0.10 -3.47 0.17 0.00 0.52 0.00 0.00 34.95 32.07 1cd9 s ARG 210 CO 0.06 0.18 0.70 -2.30 0.02 0.00 0.00 175.30 173.96 1cd9 n PRO 211 N 3.86 -1.90 -2.41 3.54 -0.02 -1.25 -4.92 135.00 131.89 1cd9 n PRO 211 Ca -0.14 -1.11 -0.32 0.00 -2.02 0.00 0.00 63.50 59.91 1cd9 n PRO 211 Cb 0.52 -0.95 -0.03 0.00 -0.02 0.00 0.00 33.50 33.02 1cd9 n PRO 211 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1cd9 s THR 212 N -2.35 4.37 0.00 3.45 2.01 -0.97 -4.85 115.64 117.30 1cd9 s THR 212 Ca 0.44 1.20 0.00 0.00 0.31 0.00 0.00 61.69 63.64 1cd9 s THR 212 Cb -0.03 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.84 1cd9 s THR 212 CO 0.33 -0.59 0.00 0.80 -0.69 0.00 0.00 174.62 174.47