#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cd9 n TYR 3 N 0.00 0.00 -2.23 1.61 4.01 -1.26 -4.93 117.16 114.36 1cd9 n TYR 3 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1cd9 n TYR 3 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 1cd9 n TYR 3 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1cd9 s PRO 4 N -0.20 4.34 0.25 -0.72 0.02 -1.26 -4.78 135.00 132.65 1cd9 s PRO 4 Ca 0.00 2.01 -0.30 0.00 0.02 0.00 0.00 61.00 62.72 1cd9 s PRO 4 Cb 0.00 -3.28 -0.11 0.00 0.02 0.00 0.00 34.50 31.13 1cd9 s PRO 4 CO 0.00 -0.40 1.51 -1.25 -0.33 0.00 0.00 177.00 176.53 1cd9 s PRO 5 N 1.15 4.21 0.28 5.54 0.04 -1.26 -5.00 135.00 139.96 1cd9 s PRO 5 Ca 0.63 2.41 0.01 0.00 0.04 0.00 0.00 61.00 64.09 1cd9 s PRO 5 Cb -0.35 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1cd9 s PRO 5 CO 0.30 -0.52 0.47 0.00 0.04 0.00 0.00 177.00 177.29 1cd9 s ALA 6 N 0.15 3.78 -0.13 8.56 0.00 -1.26 -4.42 121.76 128.44 1cd9 s ALA 6 Ca 0.62 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 51.34 1cd9 s ALA 6 Cb -0.44 -2.00 -0.07 0.00 0.00 0.00 0.00 23.12 20.61 1cd9 s ALA 6 CO 0.43 0.16 2.12 -1.13 0.00 0.00 0.00 175.76 177.35 1cd9 n SER 7 N -1.38 3.51 -4.70 0.00 3.41 -1.26 -4.83 113.62 108.37 1cd9 n SER 7 Ca -0.06 0.49 -0.31 0.00 -0.26 0.00 0.00 58.87 58.73 1cd9 n SER 7 Cb 0.56 -1.52 0.15 0.00 -0.26 0.00 0.00 64.21 63.14 1cd9 n SER 7 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1cd9 s PRO 8 N 5.59 1.32 0.19 4.33 0.02 -1.26 -4.95 135.00 140.24 1cd9 s PRO 8 Ca 0.97 1.49 0.04 0.00 0.02 0.00 0.00 61.00 63.52 1cd9 s PRO 8 Cb -0.42 -1.77 -0.02 0.00 0.02 0.00 0.00 34.50 32.32 1cd9 s PRO 8 CO 0.39 -2.39 0.16 -1.13 -0.33 0.00 0.00 177.00 173.70 1cd9 n SER 9 N -4.01 -0.34 -4.20 2.53 3.41 -0.82 -4.53 113.62 105.66 1cd9 n SER 9 Ca 0.11 -2.24 -0.29 0.00 -0.26 0.00 0.00 58.87 56.19 1cd9 n SER 9 Cb 0.52 0.94 -0.07 0.00 -0.26 0.00 0.00 64.21 65.33 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 -2.23 0.46 -4.69 4.04 5.15 -1.26 -1.06 115.26 115.67 1cd9 n ASN 10 Ca 0.04 -1.19 -0.42 0.00 -0.60 0.00 0.00 54.58 52.41 1cd9 n ASN 10 Cb 0.34 -2.09 -0.03 0.00 -0.53 0.00 0.00 39.78 37.48 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 -7.25 4.25 0.07 1.20 2.96 -1.26 -4.41 118.68 114.24 1cd9 s LEU 11 Ca 0.02 1.52 0.01 0.00 -0.22 0.00 0.00 54.13 55.47 1cd9 s LEU 11 Cb -0.01 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 1cd9 s LEU 11 CO 0.96 -0.43 -0.06 -0.94 -1.32 0.00 0.00 176.35 174.56 1cd9 s SER 12 N 1.09 0.91 0.01 3.68 1.04 -0.77 -5.01 113.70 114.64 1cd9 s SER 12 Ca 0.48 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1cd9 s SER 12 Cb -0.18 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.02 1cd9 s SER 12 CO 0.18 -0.38 -0.01 0.00 0.98 0.00 0.00 173.24 174.02 1cd9 s LEU 14 N -0.44 1.78 -0.35 0.00 1.43 -0.28 -4.88 118.68 115.95 1cd9 s LEU 14 Ca -0.05 -0.14 -0.24 0.00 -1.03 0.00 0.00 54.13 52.67 1cd9 s LEU 14 Cb -0.03 -0.42 0.01 0.00 0.03 0.00 0.00 46.19 45.78 1cd9 s LEU 14 CO -0.00 0.04 0.85 -0.32 0.23 0.00 0.00 176.35 177.15 1cd9 s MET 15 N 0.20 3.85 -0.39 1.70 -2.45 0.13 -0.88 119.30 121.46 1cd9 s MET 15 Ca -0.02 0.51 -0.18 0.00 -1.25 0.00 0.00 55.69 54.74 1cd9 s MET 15 Cb -0.07 -3.78 0.01 0.00 1.25 0.00 0.00 34.83 32.23 1cd9 s MET 15 CO 0.00 -0.84 0.50 -1.01 1.05 0.00 0.00 175.02 174.72 1cd9 s HIS 16 N 3.22 3.15 -0.05 4.11 3.76 -0.19 -1.66 115.29 127.63 1cd9 s HIS 16 Ca 0.35 -0.06 0.31 0.00 -0.15 0.00 0.00 55.06 55.50 1cd9 s HIS 16 Cb -0.13 -2.98 1.12 0.00 1.11 0.00 0.00 32.58 31.70 1cd9 s HIS 16 CO 0.16 -0.65 1.89 -0.07 -0.85 0.00 0.00 174.74 175.23 1cd9 h LEU 17 N 9.17 0.00 -0.13 0.89 3.38 -1.86 0.43 115.31 127.19 1cd9 h LEU 17 Ca -0.27 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.56 1cd9 h LEU 17 Cb 1.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.87 1cd9 h LEU 17 CO 0.80 0.00 -0.47 0.71 0.09 0.00 0.00 178.44 179.57 1cd9 h THR 18 N 0.00 1.36 -0.01 0.22 1.35 -1.94 -3.29 112.91 110.59 1cd9 h THR 18 Ca 0.00 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 1cd9 h THR 18 Cb 0.62 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 1cd9 h THR 18 CO 0.00 0.54 -0.39 0.35 -0.25 0.00 0.00 175.52 175.77 1cd9 n THR 19 N -4.24 0.00 -3.74 6.82 -2.24 -1.21 -5.00 114.28 104.67 1cd9 n THR 19 Ca -0.07 -0.31 -0.31 0.00 -2.27 0.00 0.00 64.05 61.08 1cd9 n THR 19 Cb 0.58 1.25 0.03 0.00 -2.10 0.00 0.00 70.33 70.09 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 0.05 -4.45 -3.71 3.42 4.05 0.14 -4.84 115.26 109.91 1cd9 n ASN 20 Ca 0.09 -1.03 -0.14 0.00 0.45 0.00 0.00 54.58 53.95 1cd9 n ASN 20 Cb 0.43 -3.25 -0.09 0.00 1.23 0.00 0.00 39.78 38.10 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 -3.62 -0.38 -0.35 1.20 1.04 -0.89 -1.84 113.70 108.86 1cd9 s SER 21 Ca 0.40 0.53 -0.25 0.00 0.48 0.00 0.00 55.95 57.11 1cd9 s SER 21 Cb -0.15 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.58 1cd9 s SER 21 CO 0.87 -0.35 0.86 -0.22 0.98 0.00 0.00 173.24 175.38 1cd9 s LEU 22 N -0.63 4.06 -0.23 2.42 2.96 -0.42 -1.03 118.68 125.81 1cd9 s LEU 22 Ca -0.07 0.57 -0.08 0.00 -0.22 0.00 0.00 54.13 54.33 1cd9 s LEU 22 Cb -0.04 -3.16 -0.03 0.00 0.50 0.00 0.00 46.19 43.46 1cd9 s LEU 22 CO 0.04 -0.76 0.08 -0.69 -1.32 0.00 0.00 176.35 173.70 1cd9 s VAL 23 N 3.24 4.53 -0.06 1.68 1.01 -0.05 -0.49 120.40 130.25 1cd9 s VAL 23 Ca 0.35 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.27 1cd9 s VAL 23 Cb -0.13 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 1cd9 s VAL 23 CO 0.16 0.36 -0.20 0.00 0.00 0.00 0.00 175.10 175.42 1cd9 s GLN 25 N -0.38 0.80 0.33 0.00 -2.07 -0.46 -1.50 119.66 116.37 1cd9 s GLN 25 Ca 0.03 -0.96 0.03 0.00 -1.82 0.00 0.00 55.36 52.65 1cd9 s GLN 25 Cb -0.12 -0.77 -0.02 0.00 -1.09 0.00 0.00 33.01 31.01 1cd9 s GLN 25 CO 0.02 0.17 0.34 1.67 -1.32 0.00 0.00 175.29 176.17 1cd9 s TRP 26 N -1.36 1.47 -0.28 9.60 -2.14 -1.20 -1.85 118.94 123.17 1cd9 s TRP 26 Ca -0.02 -1.51 -0.00 0.00 2.66 0.00 0.00 56.10 57.22 1cd9 s TRP 26 Cb -0.10 -0.48 0.05 0.00 -3.10 0.00 0.00 33.47 29.85 1cd9 s TRP 26 CO 0.02 -0.95 -0.04 -2.00 -2.66 0.00 0.00 176.95 171.32 1cd9 s GLU 27 N -3.35 2.44 0.06 3.25 2.56 -0.22 -4.90 118.70 118.53 1cd9 s GLU 27 Ca 0.37 -1.24 -0.17 0.00 0.00 0.00 0.00 54.97 53.92 1cd9 s GLU 27 Cb 0.02 -3.07 -0.15 0.00 2.00 0.00 0.00 34.13 32.93 1cd9 s GLU 27 CO 0.24 -0.57 1.29 -1.00 -0.56 0.00 0.00 175.26 174.66 1cd9 h PRO 28 N 7.94 0.54 0.00 4.30 0.13 -1.97 -2.19 132.00 140.76 1cd9 h PRO 28 Ca -0.22 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 1cd9 h PRO 28 Cb 1.06 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1cd9 h PRO 28 CO 0.52 0.99 0.00 0.41 -0.23 0.00 0.00 178.00 179.69 1cd9 n GLY 29 N 0.50 0.90 3.56 1.56 0.00 -1.26 -4.68 105.19 105.77 1cd9 n GLY 29 Ca -0.07 -1.43 -0.64 0.00 0.00 0.00 0.00 46.02 43.88 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 3.05 0.00 -2.26 1.61 -0.02 -1.26 -4.83 135.00 131.29 1cd9 n PRO 30 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.13 1cd9 n PRO 30 Cb 0.00 -1.44 -0.04 0.00 -0.02 0.00 0.00 33.50 32.01 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 2.48 2.94 0.69 -0.52 2.56 -1.26 -4.97 118.70 120.61 1cd9 s GLU 31 Ca 0.99 -0.31 -0.14 0.00 0.00 0.00 0.00 54.97 55.51 1cd9 s GLU 31 Cb -1.41 -4.86 0.01 0.00 2.00 0.00 0.00 34.13 29.88 1cd9 s GLU 31 CO 0.75 -2.75 1.10 0.99 -0.56 0.00 0.00 175.26 174.80 1cd9 s THR 32 N 7.87 3.32 -0.26 -1.70 2.01 -1.26 -4.95 115.64 120.66 1cd9 s THR 32 Ca 0.58 0.55 0.13 0.00 0.31 0.00 0.00 61.69 63.26 1cd9 s THR 32 Cb -0.06 -3.07 0.81 0.00 0.01 0.00 0.00 72.50 70.18 1cd9 s THR 32 CO 0.04 -0.44 1.76 1.57 -0.69 0.00 0.00 174.62 176.87 1cd9 n HIS 33 N -2.73 2.17 -4.27 4.92 -0.00 -1.26 -4.97 115.22 109.08 1cd9 n HIS 33 Ca 0.10 -0.84 -0.21 0.00 0.46 0.00 0.00 57.72 57.22 1cd9 n HIS 33 Cb 0.52 -0.55 -0.12 0.00 -0.12 0.00 0.00 29.99 29.72 1cd9 n HIS 33 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1cd9 s LEU 34 N -2.83 2.35 -0.83 0.27 1.43 -1.26 -5.07 118.68 112.74 1cd9 s LEU 34 Ca 0.55 -0.74 -0.22 0.00 -1.03 0.00 0.00 54.13 52.69 1cd9 s LEU 34 Cb 0.42 -0.74 -0.18 0.00 0.03 0.00 0.00 46.19 45.72 1cd9 s LEU 34 CO 0.15 -0.03 2.36 -2.65 0.23 0.00 0.00 176.35 176.42 1cd9 n PRO 35 N 0.84 0.45 -3.27 1.29 -0.02 -1.26 -4.92 135.00 128.11 1cd9 n PRO 35 Ca -0.18 -0.64 -0.20 0.00 -2.02 0.00 0.00 63.50 60.46 1cd9 n PRO 35 Cb 0.55 -3.10 0.01 0.00 -0.02 0.00 0.00 33.50 30.94 1cd9 n PRO 35 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1cd9 s THR 36 N 11.60 2.50 -0.16 3.45 -1.32 -1.26 -4.30 115.64 126.15 1cd9 s THR 36 Ca 1.02 -1.15 -0.22 0.00 -1.21 0.00 0.00 61.69 60.13 1cd9 s THR 36 Cb -0.30 -2.65 0.06 0.00 -1.51 0.00 0.00 72.50 68.10 1cd9 s THR 36 CO 0.19 0.00 0.58 -0.94 -2.21 0.00 0.00 174.62 172.25 1cd9 s SER 37 N -4.38 -0.58 -0.10 8.08 1.04 -0.72 -5.01 113.70 112.03 1cd9 s SER 37 Ca 0.53 0.97 0.02 0.00 0.48 0.00 0.00 55.95 57.95 1cd9 s SER 37 Cb -0.06 0.97 -0.01 0.00 0.10 0.00 0.00 66.02 67.01 1cd9 s SER 37 CO 0.32 -0.32 -0.17 -0.36 0.98 0.00 0.00 173.24 173.69 1cd9 s PHE 38 N -0.19 2.69 -0.13 5.02 0.40 -1.26 -1.37 117.98 123.13 1cd9 s PHE 38 Ca -0.04 -0.67 -0.00 0.00 -0.60 0.00 0.00 56.93 55.62 1cd9 s PHE 38 Cb -0.03 -1.75 0.03 0.00 0.51 0.00 0.00 43.02 41.78 1cd9 s PHE 38 CO 0.03 -0.20 -0.10 0.42 0.70 0.00 0.00 175.22 176.08 1cd9 s ILE 39 N 0.11 1.22 -0.45 0.64 1.01 -0.62 -2.05 121.20 121.06 1cd9 s ILE 39 Ca -0.08 -0.44 -0.29 0.00 0.00 0.00 0.00 60.65 59.83 1cd9 s ILE 39 Cb -0.15 -1.22 0.03 0.00 0.01 0.00 0.00 42.46 41.12 1cd9 s ILE 39 CO 0.05 0.37 1.16 -0.22 0.00 0.00 0.00 174.94 176.30 1cd9 s LEU 40 N 1.62 3.67 0.14 2.97 2.96 0.83 -1.62 118.68 129.26 1cd9 s LEU 40 Ca 0.04 0.58 0.05 0.00 -0.22 0.00 0.00 54.13 54.58 1cd9 s LEU 40 Cb -0.13 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1cd9 s LEU 40 CO -0.09 -1.22 0.08 -0.54 -1.32 0.00 0.00 176.35 173.26 1cd9 s LYS 41 N 4.40 2.77 0.07 1.98 1.02 0.18 -0.72 119.74 129.43 1cd9 s LYS 41 Ca 0.49 -0.86 -0.27 0.00 0.02 0.00 0.00 55.97 55.35 1cd9 s LYS 41 Cb -0.08 -2.60 0.09 0.00 -0.52 0.00 0.00 37.83 34.71 1cd9 s LYS 41 CO 0.30 0.51 0.84 -1.54 -0.92 0.00 0.00 175.35 174.54 1cd9 s SER 42 N -2.81 -0.36 -0.12 2.83 1.04 -1.26 -1.82 113.70 111.20 1cd9 s SER 42 Ca 0.29 -0.10 -0.13 0.00 0.48 0.00 0.00 55.95 56.49 1cd9 s SER 42 Cb -0.11 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.50 1cd9 s SER 42 CO 0.22 -0.77 0.36 0.72 0.98 0.00 0.00 173.24 174.75 1cd9 s PHE 43 N -3.30 -0.37 0.49 5.02 -0.12 -1.03 -0.56 117.98 118.12 1cd9 s PHE 43 Ca 0.06 0.87 -0.23 0.00 -0.05 0.00 0.00 56.93 57.59 1cd9 s PHE 43 Cb -0.01 0.13 -0.06 0.00 -0.63 0.00 0.00 43.02 42.45 1cd9 s PHE 43 CO -0.07 -0.23 1.26 1.03 -0.05 0.00 0.00 175.22 177.15 1cd9 s ARG 44 N -0.07 3.50 0.00 1.99 0.52 0.55 -2.21 118.95 123.23 1cd9 s ARG 44 Ca -0.02 1.99 0.00 0.00 -0.52 0.00 0.00 55.73 57.18 1cd9 s ARG 44 Cb -0.03 -2.36 0.00 0.00 0.52 0.00 0.00 34.95 33.08 1cd9 s ARG 44 CO 0.01 -0.82 0.00 0.45 0.02 0.00 0.00 175.30 174.96 1cd9 n SER 45 N -0.69 0.00 -4.01 0.23 2.88 -0.95 -1.60 113.62 109.48 1cd9 n SER 45 Ca 0.08 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.40 1cd9 n SER 45 Cb 0.46 0.00 -0.09 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 1.38 1.79 0.47 -1.46 1.81 -1.26 -4.45 118.95 117.23 1cd9 s ARG 46 Ca 0.00 -2.06 -0.21 0.00 -1.72 0.00 0.00 55.73 51.74 1cd9 s ARG 46 Cb 0.00 -0.36 -0.11 0.00 -0.45 0.00 0.00 34.95 34.04 1cd9 s ARG 46 CO 0.00 -0.47 0.67 0.00 -0.68 0.00 0.00 175.30 174.82 1cd9 n ALA 47 N -0.76 -0.93 -0.70 2.13 0.00 -1.26 -1.10 120.51 117.89 1cd9 n ALA 47 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1cd9 n ALA 47 Cb 0.65 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 0.78 0.00 -3.67 0.00 8.00 -1.26 -4.08 116.55 116.32 1cd9 n ASP 48 Ca 0.11 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.33 1cd9 n ASP 48 Cb 0.42 -0.86 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 1cd9 n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cd9 s GLN 50 N -6.36 2.07 0.00 0.00 -0.21 -1.26 -4.80 119.66 109.10 1cd9 s GLN 50 Ca 0.54 -2.41 0.00 0.00 0.02 0.00 0.00 55.36 53.51 1cd9 s GLN 50 Cb -0.28 -3.44 0.00 0.00 1.00 0.00 0.00 33.01 30.28 1cd9 s GLN 50 CO 0.67 -1.10 0.00 0.98 -2.12 0.00 0.00 175.29 173.72 1cd9 n TYR 51 N 3.52 0.00 -2.54 0.91 9.36 -1.26 -4.79 117.16 122.36 1cd9 n TYR 51 Ca 0.05 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.86 1cd9 n TYR 51 Cb 0.36 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.04 1cd9 n TYR 51 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 1cd9 s GLN 52 N 0.00 3.33 0.00 2.98 0.74 -1.26 -4.42 119.66 121.02 1cd9 s GLN 52 Ca 0.00 -0.55 0.00 0.00 0.05 0.00 0.00 55.36 54.86 1cd9 s GLN 52 Cb 0.00 -4.62 0.00 0.00 1.10 0.00 0.00 33.01 29.49 1cd9 s GLN 52 CO 0.00 -2.19 0.00 0.41 -0.55 0.00 0.00 175.29 172.96 1cd9 n GLY 53 N 5.94 0.03 3.72 2.59 0.00 -0.63 -5.00 105.19 111.84 1cd9 n GLY 53 Ca 0.14 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1cd9 n GLY 53 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cd9 s ASP 54 N -1.00 6.41 0.10 1.61 2.15 -1.24 -4.50 116.67 120.20 1cd9 s ASP 54 Ca 0.00 2.82 -0.31 0.00 0.43 0.00 0.00 52.55 55.49 1cd9 s ASP 54 Cb 0.00 -2.59 -0.08 0.00 -0.30 0.00 0.00 42.92 39.95 1cd9 s ASP 54 CO 0.00 -0.96 1.47 -0.89 -0.17 0.00 0.00 175.17 174.62 1cd9 s THR 55 N 1.41 3.20 -0.01 1.71 2.01 -1.26 -0.33 115.64 122.37 1cd9 s THR 55 Ca 0.75 0.79 -0.18 0.00 0.31 0.00 0.00 61.69 63.36 1cd9 s THR 55 Cb -0.48 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 1cd9 s THR 55 CO 0.32 0.04 0.51 -0.63 -0.69 0.00 0.00 174.62 174.17 1cd9 s ILE 56 N 1.62 4.97 0.14 1.82 1.01 0.28 -4.91 121.20 126.11 1cd9 s ILE 56 Ca 0.67 1.05 -0.34 0.00 0.00 0.00 0.00 60.65 62.03 1cd9 s ILE 56 Cb -0.38 -3.83 -0.16 0.00 0.01 0.00 0.00 42.46 38.10 1cd9 s ILE 56 CO 0.30 0.48 1.14 -2.65 0.00 0.00 0.00 174.94 174.21 1cd9 n PRO 57 N 2.44 0.95 -1.86 2.79 -0.02 -1.26 -4.23 135.00 133.81 1cd9 n PRO 57 Ca -0.10 0.34 -0.39 0.00 -2.02 0.00 0.00 63.50 61.33 1cd9 n PRO 57 Cb 0.51 -1.83 0.02 0.00 -0.02 0.00 0.00 33.50 32.19 1cd9 n PRO 57 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1cd9 s ASP 58 N 0.02 5.72 -0.33 2.55 1.01 -1.26 -4.79 116.67 119.59 1cd9 s ASP 58 Ca 0.77 2.78 -0.05 0.00 0.71 0.00 0.00 52.55 56.76 1cd9 s ASP 58 Cb -0.92 -2.64 0.04 0.00 1.01 0.00 0.00 42.92 40.41 1cd9 s ASP 58 CO 0.52 -1.27 0.07 0.00 0.21 0.00 0.00 175.17 174.71 1cd9 s VAL 60 N 1.36 4.88 0.42 0.00 -7.23 -1.26 -0.12 120.40 118.45 1cd9 s VAL 60 Ca -0.03 1.43 -0.26 0.00 -1.81 0.00 0.00 61.98 61.32 1cd9 s VAL 60 Cb -0.19 -4.06 -0.09 0.00 0.56 0.00 0.00 36.38 32.59 1cd9 s VAL 60 CO 0.02 -0.04 1.41 0.00 -0.31 0.00 0.00 175.10 176.18 1cd9 s ALA 61 N 2.71 3.34 0.72 1.32 0.00 -0.87 -4.98 121.76 124.00 1cd9 s ALA 61 Ca 0.32 1.43 -0.14 0.00 0.00 0.00 0.00 51.96 53.57 1cd9 s ALA 61 Cb -0.15 -3.57 0.03 0.00 0.00 0.00 0.00 23.12 19.43 1cd9 s ALA 61 CO 0.08 -1.05 1.15 0.15 0.00 0.00 0.00 175.76 176.09 1cd9 s LYS 62 N -2.28 2.35 0.06 0.00 3.01 -1.26 -4.83 119.74 116.79 1cd9 s LYS 62 Ca 0.57 1.54 -0.11 0.00 -1.01 0.00 0.00 55.97 56.97 1cd9 s LYS 62 Cb -0.43 -1.88 -0.02 0.00 -1.01 0.00 0.00 37.83 34.49 1cd9 s LYS 62 CO 0.56 -1.62 0.98 1.63 0.51 0.00 0.00 175.35 177.40 1cd9 n LYS 63 N -2.75 -0.15 0.03 1.68 4.01 -1.26 -3.36 118.16 116.36 1cd9 n LYS 63 Ca 0.12 0.97 -0.22 0.00 -0.51 0.00 0.00 58.31 58.66 1cd9 n LYS 63 Cb 0.51 -1.44 -0.14 0.00 -0.51 0.00 0.00 35.03 33.45 1cd9 n LYS 63 CO 0.00 0.00 0.00 0.07 -1.11 0.00 0.00 177.40 176.36 1cd9 h ARG 64 N 0.00 0.31 -6.70 1.97 -0.00 -2.02 -3.47 114.38 104.47 1cd9 h ARG 64 Ca 0.06 -0.53 -0.52 0.00 -0.00 0.00 0.00 59.98 58.98 1cd9 h ARG 64 Cb 0.14 0.20 0.06 0.00 -0.00 0.00 0.00 29.97 30.38 1cd9 h ARG 64 CO -0.33 1.26 0.93 -0.65 -0.00 0.00 0.00 179.97 181.18 1cd9 s GLN 65 N -2.54 4.15 -0.95 0.08 -1.52 -1.21 -4.95 119.66 112.71 1cd9 s GLN 65 Ca -0.19 2.54 -0.01 0.00 -1.95 0.00 0.00 55.36 55.75 1cd9 s GLN 65 Cb 0.06 -3.07 0.30 0.00 -0.22 0.00 0.00 33.01 30.07 1cd9 s GLN 65 CO 0.80 -0.67 1.33 0.09 -0.25 0.00 0.00 175.29 176.59 1cd9 n ASN 66 N 3.27 5.84 -3.58 5.90 3.02 -1.26 -4.13 115.26 124.32 1cd9 n ASN 66 Ca 0.12 -3.47 -0.06 0.00 -0.03 0.00 0.00 54.58 51.14 1cd9 n ASN 66 Cb 0.37 -1.08 -0.03 0.00 -0.61 0.00 0.00 39.78 38.43 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 -2.00 -0.23 0.04 6.41 2.20 -1.26 -3.25 114.94 116.85 1cd9 s ASN 67 Ca 0.35 0.10 -0.09 0.00 -0.94 0.00 0.00 52.86 52.28 1cd9 s ASN 67 Cb 0.10 0.22 0.00 0.00 -2.00 0.00 0.00 41.25 39.58 1cd9 s ASN 67 CO 0.04 -0.32 0.19 0.00 -2.94 0.00 0.00 177.10 174.07 1cd9 s SER 69 N -2.12 3.26 -0.34 0.00 0.15 -1.26 -1.47 113.70 111.92 1cd9 s SER 69 Ca -0.05 -0.54 -0.15 0.00 0.70 0.00 0.00 55.95 55.91 1cd9 s SER 69 Cb -0.01 -1.46 -0.01 0.00 -1.71 0.00 0.00 66.02 62.83 1cd9 s SER 69 CO -0.04 0.12 0.37 -0.63 1.20 0.00 0.00 173.24 174.26 1cd9 s ILE 70 N 0.58 5.16 0.50 6.45 1.01 0.36 -4.92 121.20 130.33 1cd9 s ILE 70 Ca -0.12 0.12 -0.23 0.00 0.00 0.00 0.00 60.65 60.42 1cd9 s ILE 70 Cb -0.17 -3.82 -0.06 0.00 0.01 0.00 0.00 42.46 38.42 1cd9 s ILE 70 CO 0.03 -0.08 1.30 -2.16 0.00 0.00 0.00 174.94 174.04 1cd9 s PRO 71 N 2.05 3.42 0.55 2.79 0.04 -1.26 -1.30 135.00 141.30 1cd9 s PRO 71 Ca 0.13 2.11 0.37 0.00 0.04 0.00 0.00 61.00 63.64 1cd9 s PRO 71 Cb -0.16 -2.36 1.97 0.00 0.04 0.00 0.00 34.50 33.98 1cd9 s PRO 71 CO 0.12 -0.93 2.13 0.07 0.04 0.00 0.00 177.00 178.43 1cd9 h ARG 72 N 1.78 0.00 0.00 4.56 0.11 -1.69 0.32 114.38 119.46 1cd9 h ARG 72 Ca -0.50 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.57 1cd9 h ARG 72 Cb 1.28 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.36 1cd9 h ARG 72 CO 0.59 0.00 -0.02 1.57 0.10 0.00 0.00 179.97 182.20 1cd9 h LYS 73 N 0.00 0.00 -0.01 0.08 2.10 -1.89 -2.30 116.57 114.55 1cd9 h LYS 73 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1cd9 h LYS 73 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 1cd9 h LYS 73 CO 0.00 0.02 -0.64 0.09 -2.00 0.00 0.00 179.45 176.92 1cd9 n ASN 74 N -3.21 1.48 -4.89 7.07 5.03 0.10 -4.96 115.26 115.88 1cd9 n ASN 74 Ca -0.02 -1.20 -0.28 0.00 0.87 0.00 0.00 54.58 53.96 1cd9 n ASN 74 Cb 0.18 0.61 -0.04 0.00 -1.02 0.00 0.00 39.78 39.51 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 -2.70 4.17 -0.40 3.41 1.43 -0.87 -4.95 118.68 118.77 1cd9 s LEU 75 Ca 0.15 0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 53.32 1cd9 s LEU 75 Cb 0.17 -2.76 0.10 0.00 0.03 0.00 0.00 46.19 43.73 1cd9 s LEU 75 CO 0.68 0.09 0.19 -0.22 0.23 0.00 0.00 176.35 177.32 1cd9 s LEU 76 N -2.96 5.11 0.63 1.79 2.96 -1.26 -4.97 118.68 119.97 1cd9 s LEU 76 Ca 0.33 -1.92 -0.17 0.00 -0.22 0.00 0.00 54.13 52.16 1cd9 s LEU 76 Cb -0.11 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 1cd9 s LEU 76 CO 0.27 -0.51 1.15 -0.76 -1.32 0.00 0.00 176.35 175.17 1cd9 s LEU 77 N 1.17 3.52 -1.18 -0.68 1.43 -1.26 -3.53 118.68 118.15 1cd9 s LEU 77 Ca 0.06 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 1cd9 s LEU 77 Cb -0.22 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.42 1cd9 s LEU 77 CO -0.03 -1.63 0.00 -1.22 0.23 0.00 0.00 176.35 173.70 1cd9 n TYR 78 N -2.04 -0.65 -3.72 0.29 4.02 -1.26 -5.01 117.16 108.79 1cd9 n TYR 78 Ca 0.12 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.87 1cd9 n TYR 78 Cb 0.51 -2.96 -0.09 0.00 -0.02 0.00 0.00 39.34 36.78 1cd9 n TYR 78 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1cd9 s GLN 79 N -4.67 0.57 0.64 -0.72 2.00 -1.23 -5.13 119.66 111.12 1cd9 s GLN 79 Ca 0.00 0.43 -0.16 0.00 -2.00 0.00 0.00 55.36 53.63 1cd9 s GLN 79 Cb 0.00 0.27 -0.01 0.00 0.80 0.00 0.00 33.01 34.07 1cd9 s GLN 79 CO 0.00 -0.10 1.15 0.71 -0.50 0.00 0.00 175.29 176.55 1cd9 s TYR 80 N -0.15 2.46 -0.04 1.67 2.02 -1.26 -4.49 117.35 117.56 1cd9 s TYR 80 Ca -0.03 1.56 -0.16 0.00 -0.37 0.00 0.00 57.07 58.06 1cd9 s TYR 80 Cb -0.03 -3.31 0.03 0.00 -0.40 0.00 0.00 41.96 38.24 1cd9 s TYR 80 CO 0.02 -1.97 0.35 0.00 -1.57 0.00 0.00 175.55 172.38 1cd9 s MET 81 N -3.77 0.66 -0.14 -0.62 0.23 0.40 -2.23 119.30 113.83 1cd9 s MET 81 Ca 0.71 -0.04 -0.15 0.00 -1.03 0.00 0.00 55.69 55.19 1cd9 s MET 81 Cb -0.25 0.30 -0.05 0.00 -1.53 0.00 0.00 34.83 33.31 1cd9 s MET 81 CO 0.38 -0.17 0.33 0.00 -2.03 0.00 0.00 175.02 173.53 1cd9 s ALA 82 N -1.07 3.59 -0.00 3.16 0.00 -0.94 -2.18 121.76 124.32 1cd9 s ALA 82 Ca -0.11 -0.39 0.03 0.00 0.00 0.00 0.00 51.96 51.49 1cd9 s ALA 82 Cb -0.04 -2.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.64 1cd9 s ALA 82 CO 0.04 0.12 -0.10 0.42 0.00 0.00 0.00 175.76 176.24 1cd9 s ILE 83 N 0.33 0.79 0.14 0.00 1.01 -0.01 -2.46 121.20 121.01 1cd9 s ILE 83 Ca 0.19 -0.49 -0.23 0.00 0.00 0.00 0.00 60.65 60.12 1cd9 s ILE 83 Cb -0.14 -0.68 0.07 0.00 0.01 0.00 0.00 42.46 41.72 1cd9 s ILE 83 CO 0.06 0.18 0.58 -1.66 0.00 0.00 0.00 174.94 174.10 1cd9 s TRP 84 N -0.33 -0.51 -0.01 3.97 -2.14 -0.76 -0.36 118.94 118.80 1cd9 s TRP 84 Ca 0.03 0.34 0.06 0.00 2.66 0.00 0.00 56.10 59.19 1cd9 s TRP 84 Cb -0.04 0.52 -0.03 0.00 -3.10 0.00 0.00 33.47 30.82 1cd9 s TRP 84 CO -0.00 -0.82 -0.18 0.54 -2.66 0.00 0.00 176.95 173.83 1cd9 s VAL 85 N -3.57 2.75 -0.07 -0.66 0.11 -1.26 -0.65 120.40 117.06 1cd9 s VAL 85 Ca 0.00 -0.95 0.05 0.00 -2.93 0.00 0.00 61.98 58.14 1cd9 s VAL 85 Cb -0.01 -2.08 -0.00 0.00 -1.53 0.00 0.00 36.38 32.76 1cd9 s VAL 85 CO -0.11 0.51 -0.22 -1.58 -3.33 0.00 0.00 175.10 170.37 1cd9 s GLN 86 N -0.93 2.52 -0.28 1.54 0.74 -0.64 -1.75 119.66 120.87 1cd9 s GLN 86 Ca 0.12 -0.80 -0.08 0.00 0.05 0.00 0.00 55.36 54.66 1cd9 s GLN 86 Cb -0.10 -2.03 -0.01 0.00 1.10 0.00 0.00 33.01 31.96 1cd9 s GLN 86 CO 0.02 0.24 0.09 0.00 -0.55 0.00 0.00 175.29 175.10 1cd9 s ALA 87 N 0.15 3.15 -0.30 1.58 0.00 -0.04 -1.59 121.76 124.70 1cd9 s ALA 87 Ca -0.11 -1.31 -0.07 0.00 0.00 0.00 0.00 51.96 50.47 1cd9 s ALA 87 Cb -0.15 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.80 1cd9 s ALA 87 CO 0.05 -0.75 0.08 -2.00 0.00 0.00 0.00 175.76 173.15 1cd9 s GLU 88 N 1.57 3.06 0.20 0.00 2.12 -0.47 -1.98 118.70 123.21 1cd9 s GLU 88 Ca 0.05 -0.88 0.09 0.00 0.36 0.00 0.00 54.97 54.59 1cd9 s GLU 88 Cb -0.16 -3.37 -0.05 0.00 0.26 0.00 0.00 34.13 30.81 1cd9 s GLU 88 CO 0.04 -0.45 -0.18 1.21 -0.54 0.00 0.00 175.26 175.34 1cd9 s ASN 89 N 1.49 2.88 0.22 -1.70 2.47 -0.65 -1.76 114.94 117.89 1cd9 s ASN 89 Ca 0.02 -0.95 0.14 0.00 0.42 0.00 0.00 52.86 52.49 1cd9 s ASN 89 Cb -0.17 -0.19 0.74 0.00 -1.45 0.00 0.00 41.25 40.18 1cd9 s ASN 89 CO 0.02 -0.06 1.39 0.80 -3.72 0.00 0.00 177.10 175.53 1cd9 n MET 90 N -0.13 0.09 -0.18 0.43 0.00 -1.26 -2.18 117.12 113.90 1cd9 n MET 90 Ca -0.10 0.57 0.09 0.00 -0.00 0.00 0.00 57.70 58.27 1cd9 n MET 90 Cb 0.59 -1.85 0.16 0.00 0.00 0.00 0.00 33.22 32.12 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 -1.97 2.59 0.00 -0.89 4.77 -1.26 -5.10 117.00 115.14 1cd9 n LEU 91 Ca -0.01 -3.17 0.00 0.00 -0.03 0.00 0.00 56.01 52.80 1cd9 n LEU 91 Cb 0.08 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1cd9 n LEU 91 CO 0.06 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 1cd9 n GLY 92 N -1.30 1.72 3.14 -0.72 0.00 -0.92 -4.64 105.19 102.47 1cd9 n GLY 92 Ca 0.17 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 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 1.02 0.06 1.61 0.01 -1.26 -1.63 113.70 113.50 1cd9 s SER 93 Ca 0.00 -0.90 -0.12 0.00 1.31 0.00 0.00 55.95 56.24 1cd9 s SER 93 Cb 0.00 0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.33 1cd9 s SER 93 CO 0.00 -0.42 0.27 -0.94 0.41 0.00 0.00 173.24 172.56 1cd9 s SER 94 N -2.70 -0.06 0.04 2.44 1.04 -0.84 -4.88 113.70 108.75 1cd9 s SER 94 Ca 0.06 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1cd9 s SER 94 Cb 0.02 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 1cd9 s SER 94 CO -0.04 -0.65 -0.04 -1.61 0.98 0.00 0.00 173.24 171.87 1cd9 s GLU 95 N -2.95 0.45 0.41 4.02 2.02 -1.26 -0.86 118.70 120.53 1cd9 s GLU 95 Ca -0.02 -0.81 -0.06 0.00 0.02 0.00 0.00 54.97 54.11 1cd9 s GLU 95 Cb 0.01 0.02 -0.04 0.00 0.10 0.00 0.00 34.13 34.21 1cd9 s GLU 95 CO -0.06 -0.04 0.71 -1.54 0.02 0.00 0.00 175.26 174.35 1cd9 s SER 96 N -1.87 6.36 0.56 -0.19 1.04 -0.72 -4.48 113.70 114.40 1cd9 s SER 96 Ca -0.09 0.87 -0.20 0.00 0.48 0.00 0.00 55.95 57.01 1cd9 s SER 96 Cb -0.06 -2.22 -0.04 0.00 0.10 0.00 0.00 66.02 63.80 1cd9 s SER 96 CO -0.03 -0.43 1.25 -2.16 0.98 0.00 0.00 173.24 172.86 1cd9 s PRO 97 N -4.27 3.14 0.11 4.02 0.04 -1.26 -4.69 135.00 132.09 1cd9 s PRO 97 Ca 0.47 1.96 -0.30 0.00 0.04 0.00 0.00 61.00 63.16 1cd9 s PRO 97 Cb -0.10 -2.12 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 1cd9 s PRO 97 CO 0.38 -1.11 1.23 0.15 0.04 0.00 0.00 177.00 177.69 1cd9 s LYS 98 N -3.08 4.44 -0.02 4.56 1.02 -1.26 -4.78 119.74 120.61 1cd9 s LYS 98 Ca 0.73 1.85 -0.07 0.00 0.02 0.00 0.00 55.97 58.51 1cd9 s LYS 98 Cb -0.34 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 33.63 1cd9 s LYS 98 CO 0.38 -0.23 0.24 -1.17 -0.92 0.00 0.00 175.35 173.66 1cd9 s LEU 99 N 0.65 4.38 -0.27 3.17 2.96 0.51 -4.91 118.68 125.17 1cd9 s LEU 99 Ca 0.58 0.54 0.02 0.00 -0.22 0.00 0.00 54.13 55.05 1cd9 s LEU 99 Cb -0.32 -2.55 0.07 0.00 0.50 0.00 0.00 46.19 43.90 1cd9 s LEU 99 CO 0.32 0.29 -0.03 0.00 -1.32 0.00 0.00 176.35 175.60 1cd9 s LEU 101 N 1.25 1.20 -0.20 0.00 0.05 -0.93 -4.91 118.68 115.15 1cd9 s LEU 101 Ca -0.02 -1.38 -0.00 0.00 0.05 0.00 0.00 54.13 52.78 1cd9 s LEU 101 Cb -0.19 0.37 0.01 0.00 -2.05 0.00 0.00 46.19 44.34 1cd9 s LEU 101 CO -0.08 -0.83 -0.15 -0.62 -0.55 0.00 0.00 176.35 174.12 1cd9 s ASP 102 N -3.15 3.55 0.45 1.48 2.15 -1.26 -0.45 116.67 119.44 1cd9 s ASP 102 Ca 0.38 -0.60 0.28 0.00 0.43 0.00 0.00 52.55 53.03 1cd9 s ASP 102 Cb 0.07 -1.56 1.34 0.00 -0.30 0.00 0.00 42.92 42.47 1cd9 s ASP 102 CO 0.11 -0.02 1.72 -0.65 -0.17 0.00 0.00 175.17 176.16 1cd9 h PRO 103 N 7.99 0.18 0.00 4.34 0.11 -1.88 0.40 132.00 143.14 1cd9 h PRO 103 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1cd9 h PRO 103 Cb 1.14 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1cd9 h PRO 103 CO 0.62 0.12 0.00 -1.33 -0.21 0.00 0.00 178.00 177.20 1cd9 n MET 104 N -4.51 0.17 0.01 1.05 2.81 -1.26 -1.99 117.12 113.39 1cd9 n MET 104 Ca 0.30 0.14 0.12 0.00 -1.81 0.00 0.00 57.70 56.45 1cd9 n MET 104 Cb 1.20 -1.50 0.15 0.00 -0.71 0.00 0.00 33.22 32.36 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 -1.36 0.61 -2.26 7.83 8.00 0.14 -4.06 116.55 125.45 1cd9 n ASP 105 Ca 0.07 -0.32 -0.18 0.00 0.71 0.00 0.00 54.79 55.08 1cd9 n ASP 105 Cb 0.17 0.44 0.03 0.00 -0.02 0.00 0.00 41.12 41.74 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 -1.64 2.17 -2.39 2.53 0.24 -0.84 -3.71 118.33 114.69 1cd9 n VAL 106 Ca 0.04 -3.90 -0.42 0.00 -2.04 0.00 0.00 64.34 58.03 1cd9 n VAL 106 Cb 0.36 -0.49 -0.03 0.00 -1.47 0.00 0.00 33.84 32.22 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 -4.41 3.98 -0.41 3.34 1.01 -1.24 0.20 120.40 122.87 1cd9 s VAL 107 Ca 0.44 1.41 -0.24 0.00 0.00 0.00 0.00 61.98 63.59 1cd9 s VAL 107 Cb 0.39 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.88 1cd9 s VAL 107 CO 0.01 0.09 0.84 -0.75 0.00 0.00 0.00 175.10 175.30 1cd9 s LYS 108 N 1.23 3.63 0.23 2.72 2.20 -0.67 -4.50 119.74 124.57 1cd9 s LYS 108 Ca 0.59 0.22 -0.09 0.00 -0.36 0.00 0.00 55.97 56.32 1cd9 s LYS 108 Cb -0.30 -3.87 -0.07 0.00 -1.51 0.00 0.00 37.83 32.08 1cd9 s LYS 108 CO 0.29 -1.03 0.54 -0.51 -0.36 0.00 0.00 175.35 174.28 1cd9 s LEU 109 N 3.38 4.17 0.10 5.43 1.02 -1.26 -4.65 118.68 126.86 1cd9 s LEU 109 Ca 0.34 0.90 0.10 0.00 0.02 0.00 0.00 54.13 55.48 1cd9 s LEU 109 Cb -0.12 -3.67 -0.04 0.00 0.02 0.00 0.00 46.19 42.39 1cd9 s LEU 109 CO 0.21 -0.07 -0.23 -1.61 0.02 0.00 0.00 176.35 174.67 1cd9 s GLU 110 N -2.84 1.67 0.74 1.70 2.02 -1.26 -4.25 118.70 116.48 1cd9 s GLU 110 Ca 0.47 -1.21 -0.16 0.00 0.02 0.00 0.00 54.97 54.09 1cd9 s GLU 110 Cb -0.11 -2.02 -0.00 0.00 0.10 0.00 0.00 34.13 32.09 1cd9 s GLU 110 CO 0.22 0.48 0.75 -0.35 0.02 0.00 0.00 175.26 176.38 1cd9 n PRO 111 N 1.08 0.33 -1.65 0.39 -0.04 -1.26 -4.57 135.00 129.29 1cd9 n PRO 111 Ca -0.17 0.16 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1cd9 n PRO 111 Cb 0.53 -2.04 0.06 0.00 -0.04 0.00 0.00 33.50 32.00 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 -3.17 2.76 -0.78 0.54 0.04 -1.26 -4.34 135.00 128.79 1cd9 s PRO 112 Ca 0.69 0.77 -0.21 0.00 0.04 0.00 0.00 61.00 62.28 1cd9 s PRO 112 Cb -0.33 -1.98 0.09 0.00 0.04 0.00 0.00 34.50 32.31 1cd9 s PRO 112 CO 0.55 -1.18 1.06 -1.64 0.04 0.00 0.00 177.00 175.83 1cd9 s MET 113 N -5.14 3.31 -0.20 4.56 -1.94 0.51 -4.87 119.30 115.53 1cd9 s MET 113 Ca 0.58 -1.15 -0.10 0.00 -1.71 0.00 0.00 55.69 53.31 1cd9 s MET 113 Cb -0.13 -4.54 -0.05 0.00 2.01 0.00 0.00 34.83 32.11 1cd9 s MET 113 CO 0.54 -1.84 0.13 -1.17 -0.01 0.00 0.00 175.02 172.67 1cd9 s LEU 114 N 3.71 4.19 0.07 -0.03 2.96 -1.26 -1.28 118.68 127.04 1cd9 s LEU 114 Ca 0.28 0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 54.32 1cd9 s LEU 114 Cb -0.11 -2.08 -0.00 0.00 0.50 0.00 0.00 46.19 44.49 1cd9 s LEU 114 CO 0.02 0.18 0.18 0.00 -1.32 0.00 0.00 176.35 175.41 1cd9 s GLN 115 N 0.38 0.78 0.24 1.98 -2.07 0.85 -4.98 119.66 116.83 1cd9 s GLN 115 Ca 0.08 -0.86 -0.30 0.00 -1.82 0.00 0.00 55.36 52.46 1cd9 s GLN 115 Cb -0.11 0.32 -0.09 0.00 -1.09 0.00 0.00 33.01 32.04 1cd9 s GLN 115 CO -0.02 -0.23 1.05 0.00 -1.32 0.00 0.00 175.29 174.77 1cd9 s ALA 116 N -3.41 3.38 0.75 2.60 0.00 -1.26 -0.18 121.76 123.63 1cd9 s ALA 116 Ca 0.02 0.79 -0.14 0.00 0.00 0.00 0.00 51.96 52.63 1cd9 s ALA 116 Cb 0.03 -3.30 0.05 0.00 0.00 0.00 0.00 23.12 19.90 1cd9 s ALA 116 CO -0.09 -0.07 1.17 -1.17 0.00 0.00 0.00 175.76 175.61 1cd9 s LEU 117 N -1.09 3.24 -0.42 0.00 2.96 -0.42 -4.80 118.68 118.15 1cd9 s LEU 117 Ca 0.45 2.22 0.06 0.00 -0.22 0.00 0.00 54.13 56.64 1cd9 s LEU 117 Cb -0.30 -4.57 0.20 0.00 0.50 0.00 0.00 46.19 42.02 1cd9 s LEU 117 CO 0.37 -2.24 0.46 0.47 -1.32 0.00 0.00 176.35 174.09 1cd9 n ASP 118 N -2.94 -0.63 0.00 3.68 10.43 -1.26 -5.02 116.55 120.82 1cd9 n ASP 118 Ca 0.12 -2.57 0.00 0.00 2.57 0.00 0.00 54.79 54.91 1cd9 n ASP 118 Cb 0.51 -0.28 0.00 0.00 1.84 0.00 0.00 41.12 43.19 1cd9 n ASP 118 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1cd9 n GLN 127 N 2.29 0.00 -1.78 -1.24 -0.00 -1.26 -5.25 117.38 110.15 1cd9 n GLN 127 Ca 0.25 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.83 1cd9 n GLN 127 Cb 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 30.24 30.72 1cd9 n GLN 127 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 1cd9 s PRO 128 N -4.60 4.09 -0.84 2.61 0.02 -1.26 -2.77 135.00 132.24 1cd9 s PRO 128 Ca 0.00 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.46 1cd9 s PRO 128 Cb 0.00 -4.12 0.00 0.00 0.02 0.00 0.00 34.50 30.40 1cd9 s PRO 128 CO 0.00 -0.99 0.00 0.41 -0.33 0.00 0.00 177.00 176.09 1cd9 n GLY 129 N 4.49 0.76 3.78 0.52 0.00 0.31 -4.91 105.19 110.14 1cd9 n GLY 129 Ca 0.20 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.96 0.85 -0.08 0.00 1.43 -0.29 0.07 118.68 116.70 1cd9 s LEU 131 Ca 0.42 0.33 0.05 0.00 -1.03 0.00 0.00 54.13 53.90 1cd9 s LEU 131 Cb -0.00 1.17 -0.01 0.00 0.03 0.00 0.00 46.19 47.37 1cd9 s LEU 131 CO 0.24 -0.29 -0.24 0.26 0.23 0.00 0.00 176.35 176.55 1cd9 s TRP 132 N -0.65 2.51 0.41 0.29 0.51 -1.26 -0.73 118.94 120.01 1cd9 s TRP 132 Ca -0.07 -0.82 0.07 0.00 -2.12 0.00 0.00 56.10 53.15 1cd9 s TRP 132 Cb -0.04 -1.65 -0.07 0.00 -0.81 0.00 0.00 33.47 30.89 1cd9 s TRP 132 CO 0.02 -0.28 0.03 -0.51 -0.51 0.00 0.00 176.95 175.71 1cd9 s LEU 133 N 0.03 2.91 -0.14 2.99 1.43 0.03 -1.30 118.68 124.63 1cd9 s LEU 133 Ca -0.09 -1.32 -0.22 0.00 -1.03 0.00 0.00 54.13 51.47 1cd9 s LEU 133 Cb -0.15 -0.99 0.06 0.00 0.03 0.00 0.00 46.19 45.13 1cd9 s LEU 133 CO 0.06 -0.45 0.57 -0.55 0.23 0.00 0.00 176.35 176.20 1cd9 s SER 134 N -3.74 -0.56 -0.06 2.29 0.15 0.75 -0.73 113.70 111.81 1cd9 s SER 134 Ca 0.36 0.87 -0.23 0.00 0.70 0.00 0.00 55.95 57.65 1cd9 s SER 134 Cb 0.09 0.87 0.05 0.00 -1.71 0.00 0.00 66.02 65.32 1cd9 s SER 134 CO 0.19 -0.35 0.52 -1.66 1.20 0.00 0.00 173.24 173.13 1cd9 s TRP 135 N -0.37 -0.47 0.11 3.44 -2.14 -0.87 -0.11 118.94 118.54 1cd9 s TRP 135 Ca -0.05 0.84 0.04 0.00 2.66 0.00 0.00 56.10 59.59 1cd9 s TRP 135 Cb -0.03 0.27 -0.04 0.00 -3.10 0.00 0.00 33.47 30.57 1cd9 s TRP 135 CO 0.04 -0.49 -0.10 0.15 -2.66 0.00 0.00 176.95 173.89 1cd9 s LYS 136 N -1.06 0.90 0.81 3.25 1.02 -0.40 -1.64 119.74 122.62 1cd9 s LYS 136 Ca -0.11 -1.23 -0.11 0.00 0.02 0.00 0.00 55.97 54.55 1cd9 s LYS 136 Cb -0.02 -0.57 0.11 0.00 -0.52 0.00 0.00 37.83 36.83 1cd9 s LYS 136 CO 0.07 0.08 1.15 -1.25 -0.92 0.00 0.00 175.35 174.49 1cd9 s PRO 137 N -2.99 1.65 -0.22 -1.68 0.04 -1.23 -0.37 135.00 130.20 1cd9 s PRO 137 Ca 0.08 -0.24 -0.29 0.00 0.04 0.00 0.00 61.00 60.59 1cd9 s PRO 137 Cb -0.02 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1cd9 s PRO 137 CO 0.00 -1.70 1.96 -0.46 0.04 0.00 0.00 177.00 176.84 1cd9 s TRP 138 N -3.53 1.53 0.33 0.56 -0.00 -1.26 -4.58 118.94 111.99 1cd9 s TRP 138 Ca 0.65 0.45 0.07 0.00 -0.00 0.00 0.00 56.10 57.28 1cd9 s TRP 138 Cb -0.08 -4.03 0.93 0.00 -0.00 0.00 0.00 33.47 30.28 1cd9 s TRP 138 CO 0.48 -3.72 1.58 -0.22 -0.00 0.00 0.00 176.95 175.07 1cd9 h LYS 139 N 13.16 0.01 0.00 5.86 3.64 -1.94 0.53 116.57 137.83 1cd9 h LYS 139 Ca -0.38 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1cd9 h LYS 139 Cb 1.20 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1cd9 h LYS 139 CO 0.99 0.01 0.00 -1.35 -2.27 0.00 0.00 179.45 176.82 1cd9 h PRO 140 N 0.01 0.00 -0.25 1.90 0.11 -1.96 -0.82 132.00 130.99 1cd9 h PRO 140 Ca 0.67 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.78 1cd9 h PRO 140 Cb 1.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.63 1cd9 h PRO 140 CO -0.87 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 175.79 1cd9 n SER 141 N -2.77 3.12 0.29 -2.05 3.41 0.17 -4.69 113.62 111.10 1cd9 n SER 141 Ca -0.02 -2.46 0.19 0.00 -0.26 0.00 0.00 58.87 56.31 1cd9 n SER 141 Cb 0.08 -0.33 0.97 0.00 -0.26 0.00 0.00 64.21 64.67 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 1.54 0.00 0.00 4.33 4.11 -1.05 -0.13 114.58 123.37 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 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1cd9 h GLU 142 CO 0.08 0.00 0.00 2.48 0.07 0.00 0.00 179.01 181.64 1cd9 n TYR 143 N -3.37 0.15 -3.30 2.06 4.11 -1.26 -4.75 117.16 110.81 1cd9 n TYR 143 Ca -0.01 0.05 -0.38 0.00 -0.00 0.00 0.00 57.90 57.55 1cd9 n TYR 143 Cb 0.23 -0.58 -0.06 0.00 -0.00 0.00 0.00 39.34 38.93 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 -3.03 4.32 -0.28 -3.48 1.75 -0.06 -5.03 119.30 113.49 1cd9 s MET 144 Ca 0.11 0.50 -0.29 0.00 -1.25 0.00 0.00 55.69 54.76 1cd9 s MET 144 Cb 0.15 -3.42 0.01 0.00 2.84 0.00 0.00 34.83 34.41 1cd9 s MET 144 CO 0.46 0.19 1.15 -2.00 -0.65 0.00 0.00 175.02 174.18 1cd9 s GLU 145 N 0.49 4.09 0.36 4.11 2.56 -1.26 -4.99 118.70 124.05 1cd9 s GLU 145 Ca 0.27 1.25 0.08 0.00 0.00 0.00 0.00 54.97 56.57 1cd9 s GLU 145 Cb -0.16 -3.76 -0.05 0.00 2.00 0.00 0.00 34.13 32.16 1cd9 s GLU 145 CO 0.12 -0.88 0.06 -0.65 -0.56 0.00 0.00 175.26 173.34 1cd9 s GLN 146 N 3.68 2.13 -0.01 4.30 -0.21 -1.26 -0.34 119.66 127.95 1cd9 s GLN 146 Ca 0.49 -1.76 0.03 0.00 0.02 0.00 0.00 55.36 54.14 1cd9 s GLN 146 Cb -0.15 -1.95 -0.01 0.00 1.00 0.00 0.00 33.01 31.90 1cd9 s GLN 146 CO 0.16 0.08 -0.09 -2.00 -2.12 0.00 0.00 175.29 171.32 1cd9 s GLU 147 N -3.76 0.75 0.16 2.91 2.12 -0.49 -3.71 118.70 116.68 1cd9 s GLU 147 Ca 0.36 -0.32 0.04 0.00 0.36 0.00 0.00 54.97 55.42 1cd9 s GLU 147 Cb 0.01 -0.72 -0.05 0.00 0.26 0.00 0.00 34.13 33.63 1cd9 s GLU 147 CO 0.20 0.18 -0.09 0.00 -0.54 0.00 0.00 175.26 175.02 1cd9 s GLU 149 N -3.77 2.15 -0.07 0.00 2.02 -0.83 -0.33 118.70 117.87 1cd9 s GLU 149 Ca 0.18 -0.90 0.05 0.00 0.02 0.00 0.00 54.97 54.32 1cd9 s GLU 149 Cb 0.03 -2.10 -0.00 0.00 0.10 0.00 0.00 34.13 32.16 1cd9 s GLU 149 CO 0.02 0.57 -0.22 -1.17 0.02 0.00 0.00 175.26 174.47 1cd9 s LEU 150 N -0.70 2.02 -0.02 1.80 2.96 -0.84 -1.96 118.68 121.94 1cd9 s LEU 150 Ca 0.10 -0.49 0.07 0.00 -0.22 0.00 0.00 54.13 53.59 1cd9 s LEU 150 Cb -0.10 -1.28 -0.02 0.00 0.50 0.00 0.00 46.19 45.29 1cd9 s LEU 150 CO -0.00 0.18 -0.23 0.00 -1.32 0.00 0.00 176.35 174.98 1cd9 s ARG 151 N 0.15 1.88 0.02 1.98 1.70 0.17 -2.10 118.95 122.75 1cd9 s ARG 151 Ca -0.11 -0.81 0.01 0.00 -0.47 0.00 0.00 55.73 54.35 1cd9 s ARG 151 Cb -0.15 -1.80 -0.01 0.00 -0.57 0.00 0.00 34.95 32.42 1cd9 s ARG 151 CO 0.06 0.47 -0.04 1.52 -1.08 0.00 0.00 175.30 176.23 1cd9 s TYR 152 N -0.49 0.38 -0.08 5.89 1.13 -0.31 -1.61 117.35 122.27 1cd9 s TYR 152 Ca 0.07 -0.32 -0.13 0.00 -1.41 0.00 0.00 57.07 55.28 1cd9 s TYR 152 Cb -0.09 -0.24 0.03 0.00 -1.10 0.00 0.00 41.96 40.55 1cd9 s TYR 152 CO -0.00 -0.08 0.33 1.14 -2.51 0.00 0.00 175.55 174.43 1cd9 s GLN 153 N -0.91 0.52 0.27 -3.49 -2.07 -1.00 -1.67 119.66 111.31 1cd9 s GLN 153 Ca -0.07 0.19 -0.29 0.00 -1.82 0.00 0.00 55.36 53.37 1cd9 s GLN 153 Cb -0.06 0.24 -0.10 0.00 -1.09 0.00 0.00 33.01 32.00 1cd9 s GLN 153 CO -0.00 -0.11 1.20 -1.25 -1.32 0.00 0.00 175.29 173.81 1cd9 s PRO 154 N -0.46 4.50 -0.86 9.60 0.04 -1.26 -1.60 135.00 144.96 1cd9 s PRO 154 Ca -0.06 1.97 -0.25 0.00 0.04 0.00 0.00 61.00 62.71 1cd9 s PRO 154 Cb -0.04 -3.16 0.02 0.00 0.04 0.00 0.00 34.50 31.36 1cd9 s PRO 154 CO 0.02 -0.01 1.53 -1.14 0.04 0.00 0.00 177.00 177.45 1cd9 s GLN 155 N -1.25 3.17 0.35 4.56 0.74 0.48 -4.85 119.66 122.86 1cd9 s GLN 155 Ca 0.48 -0.49 0.04 0.00 0.05 0.00 0.00 55.36 55.45 1cd9 s GLN 155 Cb -0.35 -4.82 -0.03 0.00 1.10 0.00 0.00 33.01 28.91 1cd9 s GLN 155 CO 0.44 -2.46 0.16 -0.51 -0.55 0.00 0.00 175.29 172.38 1cd9 s LEU 156 N 6.60 1.83 0.60 3.68 1.43 -1.26 -4.88 118.68 126.68 1cd9 s LEU 156 Ca 0.49 -1.63 0.38 0.00 -1.03 0.00 0.00 54.13 52.34 1cd9 s LEU 156 Cb -0.05 0.11 1.83 0.00 0.03 0.00 0.00 46.19 48.11 1cd9 s LEU 156 CO 0.03 -0.92 2.16 0.50 0.23 0.00 0.00 176.35 178.35 1cd9 h LYS 157 N 2.03 0.00 -3.81 1.70 3.64 -2.01 -3.36 116.57 114.76 1cd9 h LYS 157 Ca -0.33 0.00 -0.74 0.00 -1.27 0.00 0.00 60.65 58.31 1cd9 h LYS 157 Cb 1.26 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 32.78 1cd9 h LYS 157 CO 0.52 0.01 -0.16 0.20 -2.27 0.00 0.00 179.45 177.75 1cd9 s GLY 158 N -4.17 2.50 -0.93 5.01 0.00 -1.26 -5.03 107.32 103.44 1cd9 s GLY 158 Ca -0.02 -3.16 -0.26 0.00 0.00 0.00 0.00 44.72 41.28 1cd9 s GLY 158 CO 0.49 1.17 2.26 0.00 0.00 0.00 0.00 173.10 177.02 1cd9 s ALA 159 N 0.29 0.62 -0.32 3.20 0.00 -1.26 -4.92 121.76 119.37 1cd9 s ALA 159 Ca 0.15 -1.14 -0.05 0.00 0.00 0.00 0.00 51.96 50.92 1cd9 s ALA 159 Cb -0.17 -4.64 0.04 0.00 0.00 0.00 0.00 23.12 18.35 1cd9 s ALA 159 CO -0.05 -6.36 0.07 1.21 0.00 0.00 0.00 175.76 170.63 1cd9 s ASN 160 N 9.69 5.15 -0.03 0.00 2.47 -1.26 -5.08 114.94 125.88 1cd9 s ASN 160 Ca 0.87 -1.15 -0.30 0.00 0.42 0.00 0.00 52.86 52.69 1cd9 s ASN 160 Cb -0.09 -1.82 -0.03 0.00 -1.45 0.00 0.00 41.25 37.86 1cd9 s ASN 160 CO 0.12 -0.30 1.14 0.26 -3.72 0.00 0.00 177.10 174.61 1cd9 s TRP 161 N 1.36 3.36 -0.17 0.43 0.23 -1.26 -4.62 118.94 118.27 1cd9 s TRP 161 Ca -0.03 1.36 -0.04 0.00 -2.03 0.00 0.00 56.10 55.37 1cd9 s TRP 161 Cb -0.19 -3.34 -0.02 0.00 0.03 0.00 0.00 33.47 29.94 1cd9 s TRP 161 CO 0.01 -0.95 -0.04 0.99 0.96 0.00 0.00 176.95 177.93 1cd9 s THR 162 N 1.76 3.77 0.13 2.01 2.01 -0.67 -4.97 115.64 119.68 1cd9 s THR 162 Ca 0.55 -0.39 0.07 0.00 0.31 0.00 0.00 61.69 62.22 1cd9 s THR 162 Cb -0.24 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 1cd9 s THR 162 CO 0.24 0.48 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.85 1cd9 s LEU 163 N 0.58 3.26 -0.11 4.42 1.02 -1.26 -1.16 118.68 125.43 1cd9 s LEU 163 Ca -0.03 -0.34 0.00 0.00 0.02 0.00 0.00 54.13 53.78 1cd9 s LEU 163 Cb -0.14 -1.98 0.02 0.00 0.02 0.00 0.00 46.19 44.11 1cd9 s LEU 163 CO 0.03 0.14 -0.11 -0.69 0.02 0.00 0.00 176.35 175.74 1cd9 s VAL 164 N -1.46 1.22 0.34 -1.59 1.01 -0.89 -5.02 120.40 114.00 1cd9 s VAL 164 Ca 0.25 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.87 1cd9 s VAL 164 Cb -0.10 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1cd9 s VAL 164 CO 0.17 0.40 0.26 -0.36 0.00 0.00 0.00 175.10 175.56 1cd9 s PHE 165 N 1.43 2.85 -1.45 5.22 0.40 -1.26 -1.98 117.98 123.19 1cd9 s PHE 165 Ca 0.01 -0.33 -0.08 0.00 -0.60 0.00 0.00 56.93 55.93 1cd9 s PHE 165 Cb -0.13 -1.77 0.05 0.00 0.51 0.00 0.00 43.02 41.67 1cd9 s PHE 165 CO -0.06 0.21 0.80 0.72 0.70 0.00 0.00 175.22 177.58 1cd9 n HIS 166 N -1.33 -2.04 -3.11 0.36 8.25 -1.12 -4.97 115.22 111.27 1cd9 n HIS 166 Ca -0.02 0.85 -0.32 0.00 -0.26 0.00 0.00 57.72 57.98 1cd9 n HIS 166 Cb 0.60 -4.02 -0.05 0.00 1.12 0.00 0.00 29.99 27.64 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 -7.03 4.01 0.87 2.41 1.43 0.55 -4.81 118.68 116.11 1cd9 s LEU 167 Ca 0.35 1.16 -0.11 0.00 -1.03 0.00 0.00 54.13 54.50 1cd9 s LEU 167 Cb -0.18 -3.98 0.12 0.00 0.03 0.00 0.00 46.19 42.18 1cd9 s LEU 167 CO 0.84 -0.24 1.10 -2.16 0.23 0.00 0.00 176.35 176.12 1cd9 s PRO 168 N -3.23 1.44 0.50 1.29 0.04 -1.26 0.01 135.00 133.79 1cd9 s PRO 168 Ca 0.52 1.10 0.24 0.00 0.04 0.00 0.00 61.00 62.90 1cd9 s PRO 168 Cb -0.10 -1.81 1.34 0.00 0.04 0.00 0.00 34.50 33.96 1cd9 s PRO 168 CO 0.22 -2.19 2.05 1.03 0.04 0.00 0.00 177.00 178.15 1cd9 h SER 169 N -1.53 0.00 -4.95 6.66 0.87 -1.94 -3.41 113.55 109.25 1cd9 h SER 169 Ca -0.47 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 59.98 1cd9 h SER 169 Cb 1.26 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 63.02 1cd9 h SER 169 CO 0.50 0.14 -0.24 -0.94 -0.53 0.00 0.00 176.83 175.77 1cd9 s SER 170 N -6.34 -0.23 -0.09 6.23 1.04 -1.26 -3.47 113.70 109.58 1cd9 s SER 170 Ca -0.03 0.16 -0.05 0.00 0.48 0.00 0.00 55.95 56.50 1cd9 s SER 170 Cb 0.14 0.34 0.04 0.00 0.10 0.00 0.00 66.02 66.64 1cd9 s SER 170 CO 0.61 -0.45 0.22 -0.54 0.98 0.00 0.00 173.24 174.06 1cd9 s LYS 171 N -1.27 0.19 -0.00 4.02 -0.14 -0.65 -4.96 119.74 116.93 1cd9 s LYS 171 Ca -0.13 0.45 -0.23 0.00 -1.36 0.00 0.00 55.97 54.70 1cd9 s LYS 171 Cb -0.05 -0.08 -0.18 0.00 -1.68 0.00 0.00 37.83 35.84 1cd9 s LYS 171 CO 0.05 -0.13 1.24 -0.44 -0.76 0.00 0.00 175.35 175.30 1cd9 h ASP 172 N 6.90 0.22 -3.16 2.83 3.32 -1.88 -2.30 116.42 122.34 1cd9 h ASP 172 Ca -0.38 -0.56 -0.18 0.00 0.02 0.00 0.00 57.03 55.94 1cd9 h ASP 172 Cb 1.16 -0.06 -0.29 0.00 0.22 0.00 0.00 39.33 40.35 1cd9 h ASP 172 CO 0.38 0.74 -0.45 0.00 -1.72 0.00 0.00 179.24 178.20 1cd9 s GLN 173 N -3.99 0.24 -0.19 3.56 -2.07 -1.26 -4.56 119.66 111.39 1cd9 s GLN 173 Ca -0.15 0.67 -0.01 0.00 -1.82 0.00 0.00 55.36 54.05 1cd9 s GLN 173 Cb 0.03 -0.05 0.05 0.00 -1.09 0.00 0.00 33.01 31.95 1cd9 s GLN 173 CO 0.73 -0.19 -0.03 0.12 -1.32 0.00 0.00 175.29 174.59 1cd9 s PHE 174 N 1.63 1.70 -0.25 9.60 5.36 0.09 -4.95 117.98 131.15 1cd9 s PHE 174 Ca -0.07 -1.19 -0.24 0.00 -0.96 0.00 0.00 56.93 54.48 1cd9 s PHE 174 Cb -0.10 -1.30 -0.01 0.00 -0.34 0.00 0.00 43.02 41.27 1cd9 s PHE 174 CO -0.10 -0.65 0.79 -2.00 -1.46 0.00 0.00 175.22 171.80 1cd9 s GLU 175 N 1.63 4.15 -0.07 10.12 2.12 -1.26 -0.79 118.70 134.60 1cd9 s GLU 175 Ca -0.01 0.84 0.03 0.00 0.36 0.00 0.00 54.97 56.18 1cd9 s GLU 175 Cb -0.17 -3.65 -0.02 0.00 0.26 0.00 0.00 34.13 30.55 1cd9 s GLU 175 CO -0.07 -0.51 -0.14 -1.17 -0.54 0.00 0.00 175.26 172.82 1cd9 s LEU 176 N 2.79 2.72 0.27 2.70 2.96 0.09 -5.00 118.68 125.22 1cd9 s LEU 176 Ca 0.33 -0.24 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 1cd9 s LEU 176 Cb -0.15 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 1cd9 s LEU 176 CO 0.08 0.29 0.28 0.00 -1.32 0.00 0.00 176.35 175.68 1cd9 n GLY 178 N -0.45 1.35 3.18 0.00 0.00 -1.23 -5.04 105.19 103.00 1cd9 n GLY 178 Ca 0.03 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 5.83 -0.42 0.99 1.43 -0.96 -4.86 118.68 120.69 1cd9 s LEU 179 Ca 0.00 -3.09 0.06 0.00 -1.03 0.00 0.00 54.13 50.06 1cd9 s LEU 179 Cb 0.00 -2.00 0.17 0.00 0.03 0.00 0.00 46.19 44.39 1cd9 s LEU 179 CO 0.00 -0.37 0.53 -1.38 0.23 0.00 0.00 176.35 175.35 1cd9 s HIS 180 N -0.43 -0.90 0.00 0.29 -3.43 -1.26 -4.62 115.29 104.94 1cd9 s HIS 180 Ca 0.21 -0.55 0.00 0.00 -0.80 0.00 0.00 55.06 53.92 1cd9 s HIS 180 Cb -0.13 -0.07 0.00 0.00 -1.43 0.00 0.00 32.58 30.94 1cd9 s HIS 180 CO -0.07 -1.09 0.00 0.94 -2.00 0.00 0.00 174.74 172.52 1cd9 n GLN 181 N 3.92 0.00 -3.60 -0.38 7.27 -1.26 -5.11 117.38 118.23 1cd9 n GLN 181 Ca 0.14 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.17 1cd9 n GLN 181 Cb 0.51 -0.07 -0.03 0.00 2.41 0.00 0.00 30.24 33.07 1cd9 n GLN 181 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1cd9 s ALA 182 N 0.00 -2.07 0.11 1.69 0.00 -1.26 -4.95 121.76 115.28 1cd9 s ALA 182 Ca 0.00 1.65 0.14 0.00 0.00 0.00 0.00 51.96 53.75 1cd9 s ALA 182 Cb 0.00 -0.39 0.28 0.00 0.00 0.00 0.00 23.12 23.01 1cd9 s ALA 182 CO 0.00 -0.52 1.54 -1.00 0.00 0.00 0.00 175.76 175.79 1cd9 h PRO 183 N 2.05 0.00 -4.95 0.00 0.13 -1.96 -3.45 132.00 123.82 1cd9 h PRO 183 Ca -0.09 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.59 1cd9 h PRO 183 Cb 1.17 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.00 1cd9 h PRO 183 CO 0.23 0.59 -0.80 0.08 -0.23 0.00 0.00 178.00 177.88 1cd9 s VAL 184 N -3.27 0.92 0.10 1.56 1.01 -1.26 -3.89 120.40 115.57 1cd9 s VAL 184 Ca 0.01 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.60 1cd9 s VAL 184 Cb 0.10 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1cd9 s VAL 184 CO 0.75 0.27 -0.21 -0.31 0.00 0.00 0.00 175.10 175.60 1cd9 s TYR 185 N -0.16 2.48 -0.13 5.22 1.51 -0.17 -0.39 117.35 125.72 1cd9 s TYR 185 Ca 0.02 -0.30 -0.07 0.00 -1.01 0.00 0.00 57.07 55.72 1cd9 s TYR 185 Cb -0.06 -1.35 -0.04 0.00 -0.11 0.00 0.00 41.96 40.40 1cd9 s TYR 185 CO -0.00 0.33 0.12 0.99 -1.11 0.00 0.00 175.55 175.88 1cd9 s THR 186 N -1.06 5.29 0.01 -0.71 2.01 -0.62 -0.87 115.64 119.69 1cd9 s THR 186 Ca 0.16 0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.32 1cd9 s THR 186 Cb -0.10 -3.32 -0.01 0.00 0.01 0.00 0.00 72.50 69.08 1cd9 s THR 186 CO 0.08 0.59 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.75 1cd9 s LEU 187 N -0.75 2.08 0.06 4.42 1.02 0.14 -2.38 118.68 123.27 1cd9 s LEU 187 Ca 0.13 -0.26 -0.03 0.00 0.02 0.00 0.00 54.13 54.00 1cd9 s LEU 187 Cb -0.12 -0.38 -0.03 0.00 0.02 0.00 0.00 46.19 45.68 1cd9 s LEU 187 CO 0.03 0.03 0.02 -1.10 0.02 0.00 0.00 176.35 175.35 1cd9 s GLN 188 N -0.56 0.65 -0.02 1.70 -0.21 -0.63 -0.70 119.66 119.88 1cd9 s GLN 188 Ca 0.00 -1.13 -0.09 0.00 0.02 0.00 0.00 55.36 54.17 1cd9 s GLN 188 Cb -0.05 0.23 0.01 0.00 1.00 0.00 0.00 33.01 34.21 1cd9 s GLN 188 CO 0.00 -0.14 0.19 1.41 -2.12 0.00 0.00 175.29 174.63 1cd9 s MET 189 N -3.77 0.49 0.04 2.91 1.75 -1.26 -0.66 119.30 118.79 1cd9 s MET 189 Ca 0.05 -0.23 -0.05 0.00 -1.25 0.00 0.00 55.69 54.22 1cd9 s MET 189 Cb 0.06 0.21 -0.02 0.00 2.84 0.00 0.00 34.83 37.93 1cd9 s MET 189 CO -0.10 -0.12 0.07 -0.98 -0.65 0.00 0.00 175.02 173.25 1cd9 s ARG 190 N -1.10 0.57 0.22 4.11 1.70 -0.83 -0.83 118.95 122.78 1cd9 s ARG 190 Ca -0.12 -0.81 0.03 0.00 -0.47 0.00 0.00 55.73 54.37 1cd9 s ARG 190 Cb -0.06 0.22 -0.05 0.00 -0.57 0.00 0.00 34.95 34.49 1cd9 s ARG 190 CO 0.02 -0.14 0.01 0.00 -1.08 0.00 0.00 175.30 174.11 1cd9 s ILE 192 N -3.51 0.08 0.24 0.00 2.07 -0.54 -1.02 121.20 118.51 1cd9 s ILE 192 Ca 0.28 -0.62 -0.31 0.00 -1.41 0.00 0.00 60.65 58.59 1cd9 s ILE 192 Cb 0.06 -0.80 -0.12 0.00 0.13 0.00 0.00 42.46 41.73 1cd9 s ILE 192 CO 0.08 -0.34 1.67 -0.60 -1.91 0.00 0.00 174.94 173.83 1cd9 s ARG 193 N -2.06 4.13 -0.04 3.50 3.52 -1.26 -1.39 118.95 125.34 1cd9 s ARG 193 Ca -0.09 2.58 -0.27 0.00 -0.13 0.00 0.00 55.73 57.82 1cd9 s ARG 193 Cb -0.03 -3.06 -0.03 0.00 -1.56 0.00 0.00 34.95 30.27 1cd9 s ARG 193 CO -0.00 -0.70 0.86 0.45 -0.81 0.00 0.00 175.30 175.10 1cd9 s SER 194 N 0.93 7.18 0.00 -2.12 0.15 0.54 -4.14 113.70 116.24 1cd9 s SER 194 Ca 0.70 1.43 0.00 0.00 0.70 0.00 0.00 55.95 58.78 1cd9 s SER 194 Cb -0.49 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.33 1cd9 s SER 194 CO 0.38 -0.23 0.00 -1.20 1.20 0.00 0.00 173.24 173.39 1cd9 n SER 195 N 4.02 0.00 -4.33 5.45 7.64 -1.26 -4.91 113.62 120.23 1cd9 n SER 195 Ca 0.03 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.74 1cd9 n SER 195 Cb 0.51 -1.88 -0.10 0.00 -1.01 0.00 0.00 64.21 61.73 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 1.99 0.24 -3.43 1.43 -1.26 -5.12 118.68 112.54 1cd9 s LEU 196 Ca 0.00 -1.29 -0.31 0.00 -1.03 0.00 0.00 54.13 51.50 1cd9 s LEU 196 Cb 0.00 -0.16 -0.12 0.00 0.03 0.00 0.00 46.19 45.94 1cd9 s LEU 196 CO 0.00 -0.61 1.62 -2.65 0.23 0.00 0.00 176.35 174.94 1cd9 n PRO 197 N -0.45 2.59 0.00 1.29 -0.02 -1.26 -4.77 135.00 132.38 1cd9 n PRO 197 Ca -0.03 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1cd9 n PRO 197 Cb 0.65 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1cd9 n PRO 197 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cd9 n GLY 198 N 2.92 0.81 3.92 -1.23 0.00 -1.24 -4.51 105.19 105.86 1cd9 n GLY 198 Ca 0.12 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 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 3.51 0.77 1.61 0.08 -1.26 -4.84 117.98 115.84 1cd9 s PHE 199 Ca 0.00 0.27 -0.14 0.00 0.12 0.00 0.00 56.93 57.18 1cd9 s PHE 199 Cb 0.00 -1.78 0.06 0.00 -0.57 0.00 0.00 43.02 40.73 1cd9 s PHE 199 CO 0.00 0.54 1.21 -1.58 -0.10 0.00 0.00 175.22 175.29 1cd9 s TRP 200 N -1.60 1.93 0.65 0.36 0.52 -1.26 -4.69 118.94 114.86 1cd9 s TRP 200 Ca 0.36 1.63 -0.05 0.00 0.02 0.00 0.00 56.10 58.06 1cd9 s TRP 200 Cb -0.12 -3.49 0.05 0.00 -1.15 0.00 0.00 33.47 28.76 1cd9 s TRP 200 CO 0.28 -2.74 0.95 -1.54 0.02 0.00 0.00 176.95 173.91 1cd9 s SER 201 N -2.08 5.04 0.77 2.95 1.04 -0.19 -4.81 113.70 116.41 1cd9 s SER 201 Ca 0.74 0.40 -0.11 0.00 0.48 0.00 0.00 55.95 57.46 1cd9 s SER 201 Cb -0.29 -1.16 0.05 0.00 0.10 0.00 0.00 66.02 64.72 1cd9 s SER 201 CO 0.48 -1.42 1.08 -2.84 0.98 0.00 0.00 173.24 171.53 1cd9 s PRO 202 N -5.10 2.30 0.24 4.02 0.02 -1.26 -4.62 135.00 130.59 1cd9 s PRO 202 Ca 0.58 0.81 -0.30 0.00 0.02 0.00 0.00 61.00 62.11 1cd9 s PRO 202 Cb -0.11 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 1cd9 s PRO 202 CO 0.43 -1.51 1.08 -1.58 -0.33 0.00 0.00 177.00 175.09 1cd9 s TRP 203 N -3.08 3.64 0.77 6.54 0.52 -1.26 -4.15 118.94 121.93 1cd9 s TRP 203 Ca 0.60 1.70 -0.14 0.00 0.02 0.00 0.00 56.10 58.28 1cd9 s TRP 203 Cb -0.15 -3.24 0.06 0.00 -1.15 0.00 0.00 33.47 28.99 1cd9 s TRP 203 CO 0.55 -0.43 1.20 -1.54 0.02 0.00 0.00 176.95 176.76 1cd9 s SER 204 N -0.66 3.92 0.44 2.95 1.04 -0.01 -4.91 113.70 116.46 1cd9 s SER 204 Ca 0.46 2.35 -0.25 0.00 0.48 0.00 0.00 55.95 58.98 1cd9 s SER 204 Cb -0.30 -2.59 -0.09 0.00 0.10 0.00 0.00 66.02 63.14 1cd9 s SER 204 CO 0.38 -2.45 1.38 -0.81 0.98 0.00 0.00 173.24 172.71 1cd9 n PRO 205 N -3.01 2.13 -1.68 4.02 -0.04 -1.26 -4.54 135.00 130.63 1cd9 n PRO 205 Ca 0.13 0.76 -0.45 0.00 -0.04 0.00 0.00 63.50 63.90 1cd9 n PRO 205 Cb 0.50 -2.55 -0.04 0.00 -0.04 0.00 0.00 33.50 31.38 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 0.66 1.21 3.68 0.55 0.00 -1.26 -4.80 105.19 105.23 1cd9 n GLY 206 Ca 0.06 0.66 -0.36 0.00 0.00 0.00 0.00 46.02 46.38 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 1.13 4.10 -0.38 0.99 1.43 0.12 -4.89 118.68 121.18 1cd9 s LEU 207 Ca 0.79 0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 53.98 1cd9 s LEU 207 Cb -0.65 -2.08 0.08 0.00 0.03 0.00 0.00 46.19 43.57 1cd9 s LEU 207 CO 0.38 0.11 0.17 -1.10 0.23 0.00 0.00 176.35 176.14 1cd9 s GLN 208 N 0.77 2.36 0.24 1.70 -0.21 -1.26 0.26 119.66 123.52 1cd9 s GLN 208 Ca 0.07 -1.52 0.11 0.00 0.02 0.00 0.00 55.36 54.04 1cd9 s GLN 208 Cb -0.13 -3.55 -0.05 0.00 1.00 0.00 0.00 33.01 30.28 1cd9 s GLN 208 CO 0.02 -0.90 -0.14 -0.51 -2.12 0.00 0.00 175.29 171.64 1cd9 s LEU 209 N 1.29 2.79 -0.23 2.90 1.43 -0.05 -4.95 118.68 121.86 1cd9 s LEU 209 Ca 0.03 -0.82 -0.05 0.00 -1.03 0.00 0.00 54.13 52.25 1cd9 s LEU 209 Cb -0.22 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 1cd9 s LEU 209 CO -0.01 0.06 0.00 -0.13 0.23 0.00 0.00 176.35 176.50 1cd9 s ARG 210 N -3.28 3.49 0.26 1.70 0.52 -1.26 -1.00 118.95 119.38 1cd9 s ARG 210 Ca 0.28 -0.57 -0.30 0.00 -0.52 0.00 0.00 55.73 54.63 1cd9 s ARG 210 Cb -0.07 -3.14 -0.10 0.00 0.52 0.00 0.00 34.95 32.17 1cd9 s ARG 210 CO 0.15 -0.19 1.42 -2.14 0.02 0.00 0.00 175.30 174.57 1cd9 s PRO 211 N 1.53 4.27 0.26 3.54 0.02 -1.25 -4.91 135.00 138.47 1cd9 s PRO 211 Ca 0.06 2.30 -0.30 0.00 0.02 0.00 0.00 61.00 63.08 1cd9 s PRO 211 Cb -0.15 -3.10 -0.14 0.00 0.02 0.00 0.00 34.50 31.14 1cd9 s PRO 211 CO -0.01 -0.40 1.29 2.41 -0.33 0.00 0.00 177.00 179.96 1cd9 n THR 212 N 2.07 1.34 1.44 0.99 -1.04 0.11 -4.74 114.28 114.45 1cd9 n THR 212 Ca 0.06 -0.34 0.12 0.00 -2.04 0.00 0.00 64.05 61.85 1cd9 n THR 212 Cb 0.40 -1.34 0.69 0.00 -1.82 0.00 0.00 70.33 68.26 1cd9 n THR 212 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66