#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c9t h ALA 2 N 0.00 -0.75 -0.41 -1.58 0.00 -2.04 0.19 119.26 114.68 2c9t h ALA 2 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2c9t h ALA 2 Cb 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2c9t h ALA 2 CO 0.00 -0.91 0.13 -0.91 0.00 0.00 0.00 179.25 177.56 2c9t h ASN 3 N -0.77 0.53 -0.23 0.00 2.35 -2.00 -2.28 115.58 113.19 2c9t h ASN 3 Ca -0.08 -0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.47 2c9t h ASN 3 Cb 0.58 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 2c9t h ASN 3 CO 0.13 0.51 -0.40 0.25 -1.65 0.00 0.00 177.43 176.27 2c9t h LEU 4 N 0.58 0.75 -1.31 1.61 5.85 -1.81 -2.17 115.31 118.81 2c9t h LEU 4 Ca 0.14 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2c9t h LEU 4 Cb 0.17 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2c9t h LEU 4 CO -0.01 1.14 0.44 0.24 -0.34 0.00 0.00 178.44 179.91 2c9t h MET 5 N 0.38 0.90 -0.05 1.25 2.86 -0.34 -1.31 114.93 118.63 2c9t h MET 5 Ca 0.02 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 2c9t h MET 5 Cb 0.99 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.45 2c9t h MET 5 CO 0.09 0.61 -0.03 -0.09 1.06 0.00 0.00 176.91 178.55 2c9t h ARG 6 N 0.93 0.10 -0.42 1.72 2.43 -1.41 -1.83 114.38 115.90 2c9t h ARG 6 Ca 0.25 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.45 2c9t h ARG 6 Cb -0.09 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.39 2c9t h ARG 6 CO -0.05 0.51 -0.05 1.25 -1.51 0.00 0.00 179.97 180.13 2c9t h LEU 7 N -0.30 -0.27 -0.75 3.80 5.85 -1.03 0.05 115.31 122.65 2c9t h LEU 7 Ca 0.01 0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 2c9t h LEU 7 Cb 0.48 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2c9t h LEU 7 CO 0.01 -0.09 -0.32 0.11 -0.34 0.00 0.00 178.44 177.80 2c9t h LYS 8 N 0.06 0.59 -0.31 1.25 1.57 -1.24 1.00 116.57 119.48 2c9t h LYS 8 Ca 0.21 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2c9t h LYS 8 Cb 0.31 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2c9t h LYS 8 CO -0.39 0.84 0.11 1.03 -0.57 0.00 0.00 179.45 180.46 2c9t h SER 9 N 0.50 0.45 -0.48 0.86 0.87 -0.96 -0.03 113.55 114.76 2c9t h SER 9 Ca 0.06 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.41 2c9t h SER 9 Cb 0.80 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 2c9t h SER 9 CO 0.07 0.52 0.25 0.44 -0.53 0.00 0.00 176.83 177.58 2c9t h ASP 10 N 0.35 0.61 0.11 6.23 3.32 -0.79 -0.37 116.42 125.89 2c9t h ASP 10 Ca 0.10 -0.11 -0.19 0.00 0.02 0.00 0.00 57.03 56.85 2c9t h ASP 10 Cb 0.23 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 2c9t h ASP 10 CO -0.00 0.55 -0.71 -0.07 -1.72 0.00 0.00 179.24 177.29 2c9t h LEU 11 N 0.63 0.62 0.00 1.55 3.38 -0.70 -3.37 115.31 117.43 2c9t h LEU 11 Ca 0.17 -0.39 -0.22 0.00 0.09 0.00 0.00 57.88 57.52 2c9t h LEU 11 Cb 0.08 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2c9t h LEU 11 CO -0.02 1.14 -1.85 0.49 0.09 0.00 0.00 178.44 178.29 2c9t n PHE 12 N -3.88 0.00 -0.70 1.13 3.72 -0.03 -4.72 117.46 112.97 2c9t n PHE 12 Ca -0.05 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.44 2c9t n PHE 12 Cb 0.70 -0.60 0.34 0.00 -0.94 0.00 0.00 39.48 38.98 2c9t n PHE 12 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2c9t n ASN 13 N -2.54 4.73 -0.00 4.37 3.02 -0.15 -4.52 115.26 120.18 2c9t n ASN 13 Ca -0.21 -2.59 0.05 0.00 -0.03 0.00 0.00 54.58 51.80 2c9t n ASN 13 Cb 0.88 -0.57 -0.06 0.00 -0.61 0.00 0.00 39.78 39.42 2c9t n ASN 13 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2c9t n ARG 14 N 0.77 3.33 -3.79 3.52 1.74 -1.25 -4.98 116.66 116.00 2c9t n ARG 14 Ca 0.25 -0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.24 2c9t n ARG 14 Cb 0.92 -1.02 -0.03 0.00 -1.02 0.00 0.00 32.46 31.32 2c9t n ARG 14 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2c9t s SER 15 N -2.06 -0.29 0.82 0.55 1.04 -1.26 -5.15 113.70 107.35 2c9t s SER 15 Ca 0.04 -0.53 -0.12 0.00 0.48 0.00 0.00 55.95 55.81 2c9t s SER 15 Cb 0.08 0.68 0.09 0.00 0.10 0.00 0.00 66.02 66.97 2c9t s SER 15 CO 0.45 -1.24 1.17 -2.84 0.98 0.00 0.00 173.24 171.76 2c9t s PRO 16 N -3.90 1.62 0.58 4.02 0.02 -1.26 -4.94 135.00 131.14 2c9t s PRO 16 Ca 0.10 1.63 -0.19 0.00 0.02 0.00 0.00 61.00 62.57 2c9t s PRO 16 Cb -0.04 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.63 2c9t s PRO 16 CO 0.03 -2.20 0.83 -1.33 -0.33 0.00 0.00 177.00 174.00 2c9t n MET 17 N -3.48 0.80 -1.77 5.54 2.81 -1.26 -4.89 117.12 114.87 2c9t n MET 17 Ca 0.12 0.31 -0.42 0.00 -1.81 0.00 0.00 57.70 55.91 2c9t n MET 17 Cb 0.51 -2.02 -0.03 0.00 -0.71 0.00 0.00 33.22 30.98 2c9t n MET 17 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 2c9t s TYR 18 N -1.56 2.61 -1.54 2.03 5.04 -1.26 -4.88 117.35 117.79 2c9t s TYR 18 Ca 0.73 0.25 0.01 0.00 -2.44 0.00 0.00 57.07 55.62 2c9t s TYR 18 Cb -0.44 -4.11 0.04 0.00 0.35 0.00 0.00 41.96 37.81 2c9t s TYR 18 CO 0.50 -4.34 0.82 -0.35 -1.34 0.00 0.00 175.55 170.85 2c9t n PRO 19 N 4.74 1.14 0.00 4.97 -0.04 -1.26 -4.81 135.00 139.74 2c9t n PRO 19 Ca 0.16 -0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2c9t n PRO 19 Cb 0.37 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2c9t n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2c9t n GLY 20 N 0.33 -1.77 3.73 0.55 0.00 -1.26 -4.99 105.19 101.77 2c9t n GLY 20 Ca 0.01 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 44.20 2c9t n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2c9t s PRO 21 N -2.19 1.50 0.30 1.61 0.04 -1.26 -5.05 135.00 129.95 2c9t s PRO 21 Ca 0.00 0.97 -0.02 0.00 0.04 0.00 0.00 61.00 62.00 2c9t s PRO 21 Cb 0.00 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.70 2c9t s PRO 21 CO 0.00 -2.11 0.37 0.95 0.04 0.00 0.00 177.00 176.24 2c9t s THR 22 N -2.90 0.00 0.47 1.26 -4.23 -1.07 -5.00 115.64 104.18 2c9t s THR 22 Ca 0.63 -1.73 0.24 0.00 -1.18 0.00 0.00 61.69 59.65 2c9t s THR 22 Cb -0.18 -2.52 0.28 0.00 1.34 0.00 0.00 72.50 71.42 2c9t s THR 22 CO 0.57 0.00 2.10 0.50 -0.54 0.00 0.00 174.62 177.25 2c9t h LYS 23 N 2.24 0.00 0.00 3.99 3.64 -1.92 -1.19 116.57 123.33 2c9t h LYS 23 Ca -0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 2c9t h LYS 23 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2c9t h LYS 23 CO 0.41 0.10 -0.72 -0.25 -2.27 0.00 0.00 179.45 176.72 2c9t n ASP 24 N -3.91 0.63 -3.19 4.20 8.00 -1.26 -4.35 116.55 116.66 2c9t n ASP 24 Ca -0.02 -0.33 -0.19 0.00 0.71 0.00 0.00 54.79 54.95 2c9t n ASP 24 Cb 0.19 0.50 -0.04 0.00 -0.02 0.00 0.00 41.12 41.75 2c9t n ASP 24 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2c9t n ASP 25 N -1.67 0.73 -4.76 -2.24 2.03 -0.90 -5.13 116.55 104.61 2c9t n ASP 25 Ca 0.04 -2.95 -0.31 0.00 0.52 0.00 0.00 54.79 52.09 2c9t n ASP 25 Cb 0.37 -0.62 0.09 0.00 -0.72 0.00 0.00 41.12 40.23 2c9t n ASP 25 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2c9t s PRO 26 N -2.17 2.25 0.05 -0.67 0.04 -0.50 -2.61 135.00 131.38 2c9t s PRO 26 Ca 0.39 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2c9t s PRO 26 Cb 0.31 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.93 2c9t s PRO 26 CO -0.09 -1.66 -0.04 -0.48 0.04 0.00 0.00 177.00 174.77 2c9t s LEU 27 N -5.78 2.38 -0.21 -3.56 2.34 -0.15 -4.95 118.68 108.74 2c9t s LEU 27 Ca 0.63 -0.77 -0.05 0.00 0.06 0.00 0.00 54.13 54.00 2c9t s LEU 27 Cb -0.18 0.07 -0.02 0.00 -0.56 0.00 0.00 46.19 45.50 2c9t s LEU 27 CO 0.54 -0.42 -0.00 -0.89 -1.06 0.00 0.00 176.35 174.51 2c9t s THR 28 N -2.68 3.83 -0.24 5.48 2.01 -1.26 -0.70 115.64 122.07 2c9t s THR 28 Ca -0.02 -0.35 -0.11 0.00 0.31 0.00 0.00 61.69 61.52 2c9t s THR 28 Cb -0.01 -2.74 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 2c9t s THR 28 CO -0.05 0.42 0.16 -0.69 -0.69 0.00 0.00 174.62 173.77 2c9t s VAL 29 N 1.19 5.36 -0.20 3.82 1.01 0.94 -4.41 120.40 128.11 2c9t s VAL 29 Ca 0.03 0.18 -0.18 0.00 0.00 0.00 0.00 61.98 62.01 2c9t s VAL 29 Cb -0.15 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 2c9t s VAL 29 CO 0.01 0.34 0.49 -0.89 0.00 0.00 0.00 175.10 175.05 2c9t s THR 30 N 1.11 5.13 -0.07 3.92 2.01 0.34 -1.12 115.64 126.95 2c9t s THR 30 Ca 0.08 0.90 0.05 0.00 0.31 0.00 0.00 61.69 63.02 2c9t s THR 30 Cb -0.14 -3.82 -0.00 0.00 0.01 0.00 0.00 72.50 68.55 2c9t s THR 30 CO 0.05 0.19 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.73 2c9t s LEU 31 N 1.57 2.01 -0.01 4.42 2.96 0.79 -1.25 118.68 129.18 2c9t s LEU 31 Ca 0.23 -0.48 -0.09 0.00 -0.22 0.00 0.00 54.13 53.57 2c9t s LEU 31 Cb -0.15 -1.26 0.01 0.00 0.50 0.00 0.00 46.19 45.28 2c9t s LEU 31 CO 0.09 0.18 0.19 -0.83 -1.32 0.00 0.00 176.35 174.66 2c9t s GLY 32 N 0.12 -0.02 -0.09 7.98 0.00 -0.76 -4.27 107.32 110.28 2c9t s GLY 32 Ca -0.10 0.05 0.04 0.00 0.00 0.00 0.00 44.72 44.72 2c9t s GLY 32 CO 0.05 -0.10 -0.23 -1.36 0.00 0.00 0.00 173.10 171.47 2c9t s PHE 33 N -1.21 2.55 -0.43 1.90 0.08 -1.26 -0.84 117.98 118.76 2c9t s PHE 33 Ca -0.13 -0.87 -0.09 0.00 0.12 0.00 0.00 56.93 55.96 2c9t s PHE 33 Cb -0.06 -1.69 0.09 0.00 -0.57 0.00 0.00 43.02 40.79 2c9t s PHE 33 CO 0.02 -0.31 0.28 0.99 -0.10 0.00 0.00 175.22 176.10 2c9t s THR 34 N 0.14 4.20 -0.23 0.64 2.01 -0.52 -1.60 115.64 120.27 2c9t s THR 34 Ca -0.12 -1.53 -0.25 0.00 0.31 0.00 0.00 61.69 60.10 2c9t s THR 34 Cb -0.16 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 2c9t s THR 34 CO 0.07 -0.59 0.83 -0.22 -0.69 0.00 0.00 174.62 174.01 2c9t s LEU 35 N 1.40 4.09 -0.15 4.42 2.96 -0.69 -1.47 118.68 129.23 2c9t s LEU 35 Ca 0.04 1.05 0.05 0.00 -0.22 0.00 0.00 54.13 55.05 2c9t s LEU 35 Cb -0.24 -3.19 -0.23 0.00 0.50 0.00 0.00 46.19 43.03 2c9t s LEU 35 CO 0.01 -0.50 0.22 1.67 -1.32 0.00 0.00 176.35 176.43 2c9t n GLN 36 N 5.91 0.69 -3.64 1.98 7.27 -0.15 -3.27 117.38 126.16 2c9t n GLN 36 Ca 0.05 0.19 -0.03 0.00 0.07 0.00 0.00 57.00 57.28 2c9t n GLN 36 Cb 0.48 -1.64 -0.07 0.00 2.41 0.00 0.00 30.24 31.42 2c9t n GLN 36 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2c9t s ASP 37 N -6.39 -0.28 -0.40 1.69 2.15 -0.90 -0.74 116.67 111.80 2c9t s ASP 37 Ca -0.19 0.50 -0.19 0.00 0.43 0.00 0.00 52.55 53.09 2c9t s ASP 37 Cb 0.07 0.80 0.01 0.00 -0.30 0.00 0.00 42.92 43.50 2c9t s ASP 37 CO 0.75 -0.08 0.55 -0.63 -0.17 0.00 0.00 175.17 175.59 2c9t s ILE 38 N 0.64 4.96 -0.15 4.11 1.01 -1.26 -0.76 121.20 129.75 2c9t s ILE 38 Ca -0.01 0.11 -0.16 0.00 0.00 0.00 0.00 60.65 60.59 2c9t s ILE 38 Cb -0.04 -4.07 -0.13 0.00 0.01 0.00 0.00 42.46 38.23 2c9t s ILE 38 CO -0.12 -0.41 0.23 0.58 0.00 0.00 0.00 174.94 175.22 2c9t h VAL 39 N 5.74 0.73 -3.83 2.92 2.07 -1.60 -3.40 116.25 118.89 2c9t h VAL 39 Ca -0.27 -1.68 -0.09 0.00 0.82 0.00 0.00 66.70 65.48 2c9t h VAL 39 Cb 1.11 1.51 -0.13 0.00 -1.52 0.00 0.00 31.29 32.26 2c9t h VAL 39 CO 0.82 0.25 -0.32 -1.59 0.02 0.00 0.00 177.57 176.75 2c9t s LYS 40 N -2.10 1.05 0.06 1.57 -2.85 -1.24 -4.84 119.74 111.39 2c9t s LYS 40 Ca -0.16 -1.08 0.07 0.00 -1.00 0.00 0.00 55.97 53.80 2c9t s LYS 40 Cb 0.01 0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 36.13 2c9t s LYS 40 CO 0.39 -0.37 -0.19 0.14 0.10 0.00 0.00 175.35 175.42 2c9t s VAL 41 N -3.93 1.53 -0.28 1.79 -7.23 -1.26 -1.35 120.40 109.66 2c9t s VAL 41 Ca 0.12 -1.25 0.01 0.00 -1.81 0.00 0.00 61.98 59.05 2c9t s VAL 41 Cb 0.04 -1.36 0.08 0.00 0.56 0.00 0.00 36.38 35.70 2c9t s VAL 41 CO -0.04 0.07 0.02 -0.62 -0.31 0.00 0.00 175.10 174.22 2c9t s ASP 42 N -1.40 4.06 0.00 4.85 -1.08 0.12 -4.98 116.67 118.24 2c9t s ASP 42 Ca 0.05 -1.53 0.29 0.00 -0.52 0.00 0.00 52.55 50.85 2c9t s ASP 42 Cb -0.09 -1.15 1.35 0.00 -1.46 0.00 0.00 42.92 41.57 2c9t s ASP 42 CO 0.02 -0.33 1.96 -1.54 0.52 0.00 0.00 175.17 175.81 2c9t n SER 43 N 4.65 0.06 0.12 -0.34 3.41 -1.26 -0.41 113.62 119.86 2c9t n SER 43 Ca -0.05 0.06 0.12 0.00 -0.26 0.00 0.00 58.87 58.74 2c9t n SER 43 Cb 0.43 -0.33 0.12 0.00 -0.26 0.00 0.00 64.21 64.18 2c9t n SER 43 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2c9t h SER 44 N 0.05 0.00 0.00 4.04 4.64 -1.96 -3.38 113.55 116.94 2c9t h SER 44 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2c9t h SER 44 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2c9t h SER 44 CO 0.00 0.03 0.00 0.35 -0.87 0.00 0.00 176.83 176.34 2c9t n THR 45 N -2.60 0.00 -3.79 2.95 -2.24 -1.14 -5.04 114.28 102.41 2c9t n THR 45 Ca 0.02 -0.32 -0.32 0.00 -2.27 0.00 0.00 64.05 61.16 2c9t n THR 45 Cb 0.51 1.20 0.03 0.00 -2.10 0.00 0.00 70.33 69.96 2c9t n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2c9t n ASN 46 N -0.29 -4.04 -4.14 3.42 3.02 0.45 -4.92 115.26 108.77 2c9t n ASN 46 Ca 0.00 -1.05 -0.22 0.00 -0.03 0.00 0.00 54.58 53.28 2c9t n ASN 46 Cb 0.05 -3.11 -0.14 0.00 -0.61 0.00 0.00 39.78 35.97 2c9t n ASN 46 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2c9t s GLU 47 N -6.28 1.08 0.05 3.52 2.02 -1.13 -1.20 118.70 116.77 2c9t s GLU 47 Ca 0.37 -0.65 0.06 0.00 0.02 0.00 0.00 54.97 54.77 2c9t s GLU 47 Cb -0.14 -1.08 -0.03 0.00 0.10 0.00 0.00 34.13 32.98 2c9t s GLU 47 CO 0.88 0.28 -0.17 0.08 0.02 0.00 0.00 175.26 176.35 2c9t s VAL 48 N -0.59 1.37 -0.19 2.63 1.01 -0.40 -0.71 120.40 123.53 2c9t s VAL 48 Ca 0.04 -1.17 -0.03 0.00 0.00 0.00 0.00 61.98 60.82 2c9t s VAL 48 Cb -0.07 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 2c9t s VAL 48 CO 0.00 0.04 -0.06 -1.81 0.00 0.00 0.00 175.10 173.27 2c9t s ASP 49 N -1.32 4.26 0.04 3.32 1.11 -0.46 -1.08 116.67 122.55 2c9t s ASP 49 Ca 0.04 -0.35 0.06 0.00 0.18 0.00 0.00 52.55 52.47 2c9t s ASP 49 Cb -0.09 -1.71 -0.03 0.00 1.07 0.00 0.00 42.92 42.16 2c9t s ASP 49 CO 0.02 0.04 -0.13 -0.76 1.18 0.00 0.00 175.17 175.52 2c9t s LEU 50 N 1.11 2.88 -0.21 1.23 1.43 0.46 -1.37 118.68 124.22 2c9t s LEU 50 Ca 0.01 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.75 2c9t s LEU 50 Cb -0.15 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 2c9t s LEU 50 CO -0.01 0.25 -0.08 -0.69 0.23 0.00 0.00 176.35 176.04 2c9t s VAL 51 N -1.02 3.06 0.11 -1.59 1.01 0.06 -0.58 120.40 121.45 2c9t s VAL 51 Ca 0.17 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 2c9t s VAL 51 Cb -0.11 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2c9t s VAL 51 CO 0.08 0.46 0.08 -0.72 0.00 0.00 0.00 175.10 175.00 2c9t s TYR 52 N 1.37 0.63 -0.23 5.22 -0.85 -0.74 -0.97 117.35 121.77 2c9t s TYR 52 Ca 0.05 -1.05 -0.11 0.00 -0.52 0.00 0.00 57.07 55.44 2c9t s TYR 52 Cb -0.14 -0.35 -0.05 0.00 0.38 0.00 0.00 41.96 41.80 2c9t s TYR 52 CO -0.05 -0.52 0.17 0.71 -1.52 0.00 0.00 175.55 174.35 2c9t s TYR 53 N -3.98 3.33 -0.51 -3.49 2.02 -0.54 -0.54 117.35 113.63 2c9t s TYR 53 Ca 0.17 0.27 -0.17 0.00 -0.37 0.00 0.00 57.07 56.97 2c9t s TYR 53 Cb 0.07 -2.28 0.09 0.00 -0.40 0.00 0.00 41.96 39.44 2c9t s TYR 53 CO -0.03 0.09 0.50 -2.00 -1.57 0.00 0.00 175.55 172.54 2c9t s GLU 54 N 0.99 3.01 0.04 -0.62 2.12 -0.36 -1.44 118.70 122.45 2c9t s GLU 54 Ca 0.08 -1.38 -0.30 0.00 0.36 0.00 0.00 54.97 53.73 2c9t s GLU 54 Cb -0.13 -4.19 -0.05 0.00 0.26 0.00 0.00 34.13 30.02 2c9t s GLU 54 CO 0.04 -1.21 1.14 -0.65 -0.54 0.00 0.00 175.26 174.04 2c9t s GLN 55 N 1.91 4.47 -0.06 4.30 -0.21 -0.02 -3.38 119.66 126.67 2c9t s GLN 55 Ca 0.06 1.67 0.02 0.00 0.02 0.00 0.00 55.36 57.13 2c9t s GLN 55 Cb -0.25 -3.38 0.02 0.00 1.00 0.00 0.00 33.01 30.39 2c9t s GLN 55 CO 0.06 -0.20 -0.10 -0.65 -2.12 0.00 0.00 175.29 172.29 2c9t s GLN 56 N 1.06 1.43 -0.01 2.91 -0.21 0.66 -1.83 119.66 123.67 2c9t s GLN 56 Ca 0.57 -0.31 0.03 0.00 0.02 0.00 0.00 55.36 55.67 2c9t s GLN 56 Cb -0.27 -1.25 -0.01 0.00 1.00 0.00 0.00 33.01 32.49 2c9t s GLN 56 CO 0.29 -0.02 -0.09 1.03 -2.12 0.00 0.00 175.29 174.37 2c9t s ARG 57 N 0.81 0.79 0.38 2.91 0.52 -0.38 -1.10 118.95 122.88 2c9t s ARG 57 Ca -0.12 -0.33 -0.13 0.00 -0.52 0.00 0.00 55.73 54.63 2c9t s ARG 57 Cb -0.15 -0.76 0.04 0.00 0.52 0.00 0.00 34.95 34.60 2c9t s ARG 57 CO 0.02 0.19 0.72 1.67 0.02 0.00 0.00 175.30 177.92 2c9t s TRP 58 N -0.16 0.33 -0.06 -0.53 -2.14 -0.81 -0.50 118.94 115.08 2c9t s TRP 58 Ca 0.03 -0.91 -0.02 0.00 2.66 0.00 0.00 56.10 57.86 2c9t s TRP 58 Cb -0.04 0.64 0.04 0.00 -3.10 0.00 0.00 33.47 31.00 2c9t s TRP 58 CO -0.00 -1.48 0.12 0.21 -2.66 0.00 0.00 176.95 173.14 2c9t s LYS 59 N -2.47 0.05 -0.17 3.25 2.20 -1.26 0.25 119.74 121.60 2c9t s LYS 59 Ca 0.19 0.34 -0.00 0.00 -0.36 0.00 0.00 55.97 56.14 2c9t s LYS 59 Cb -0.04 -0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.07 2c9t s LYS 59 CO 0.13 -0.18 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.29 2c9t s LEU 60 N 1.24 2.47 0.31 5.43 1.43 0.49 -4.94 118.68 125.10 2c9t s LEU 60 Ca -0.08 -0.49 0.07 0.00 -1.03 0.00 0.00 54.13 52.60 2c9t s LEU 60 Cb -0.12 -1.57 0.85 0.00 0.03 0.00 0.00 46.19 45.38 2c9t s LEU 60 CO -0.05 0.06 1.69 0.78 0.23 0.00 0.00 176.35 179.06 2c9t h ASN 61 N 7.49 0.40 0.22 2.29 2.35 -1.86 -1.23 115.58 125.24 2c9t h ASN 61 Ca -0.36 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 2c9t h ASN 61 Cb 1.18 0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.68 2c9t h ASN 61 CO 0.58 -0.04 0.00 -1.54 -1.65 0.00 0.00 177.43 174.79 2c9t n SER 62 N -5.04 0.00 -0.62 5.81 3.41 -1.26 -2.21 113.62 113.71 2c9t n SER 62 Ca 0.25 0.33 0.05 0.00 -0.26 0.00 0.00 58.87 59.25 2c9t n SER 62 Cb 0.76 -0.39 0.15 0.00 -0.26 0.00 0.00 64.21 64.46 2c9t n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2c9t n LEU 63 N -1.39 2.86 -4.85 1.04 4.77 -0.47 -5.00 117.00 113.96 2c9t n LEU 63 Ca 0.03 -1.95 -0.34 0.00 -0.03 0.00 0.00 56.01 53.72 2c9t n LEU 63 Cb 0.08 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 2c9t n LEU 63 CO 0.07 0.71 0.30 0.00 -1.33 0.00 0.00 177.39 177.14 2c9t s MET 64 N -1.00 3.98 0.12 3.23 0.23 -0.94 -3.97 119.30 120.97 2c9t s MET 64 Ca 0.22 0.54 -0.04 0.00 -1.03 0.00 0.00 55.69 55.38 2c9t s MET 64 Cb 0.12 -2.74 -0.03 0.00 -1.53 0.00 0.00 34.83 30.65 2c9t s MET 64 CO 0.15 0.35 0.12 1.67 -2.03 0.00 0.00 175.02 175.28 2c9t s TRP 65 N -1.68 0.62 -0.38 3.16 -2.14 -0.59 -4.95 118.94 112.99 2c9t s TRP 65 Ca 0.45 -1.02 -0.19 0.00 2.66 0.00 0.00 56.10 57.99 2c9t s TRP 65 Cb -0.13 -0.31 0.01 0.00 -3.10 0.00 0.00 33.47 29.93 2c9t s TRP 65 CO 0.20 -0.56 0.57 0.34 -2.66 0.00 0.00 176.95 174.84 2c9t s ASP 66 N -2.99 6.33 0.57 -2.66 -1.08 -1.26 -4.69 116.67 110.88 2c9t s ASP 66 Ca 0.18 -0.12 0.26 0.00 -0.52 0.00 0.00 52.55 52.36 2c9t s ASP 66 Cb 0.06 -2.29 1.55 0.00 -1.46 0.00 0.00 42.92 40.78 2c9t s ASP 66 CO -0.02 -0.59 2.08 -0.65 0.52 0.00 0.00 175.17 176.52 2c9t h PRO 67 N 8.59 0.00 0.00 4.34 0.11 -1.94 -1.63 132.00 141.46 2c9t h PRO 67 Ca -0.27 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 2c9t h PRO 67 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2c9t h PRO 67 CO 0.82 0.00 -0.10 -0.97 -0.21 0.00 0.00 178.00 177.54 2c9t h ASN 68 N 0.00 0.00 0.74 -2.05 -1.24 -1.92 0.24 115.58 111.35 2c9t h ASN 68 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.12 2c9t h ASN 68 Cb 0.54 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.59 2c9t h ASN 68 CO -0.00 0.10 -0.19 -0.62 -1.29 0.00 0.00 177.43 175.43 2c9t n GLU 69 N -4.13 0.09 -2.59 6.67 1.02 -0.62 -4.18 120.64 116.91 2c9t n GLU 69 Ca -0.03 -0.03 -0.14 0.00 -0.02 0.00 0.00 57.16 56.95 2c9t n GLU 69 Cb 0.18 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.13 2c9t n GLU 69 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2c9t n TYR 70 N -1.43 1.91 -4.05 -0.32 4.01 -0.53 -4.99 117.16 111.76 2c9t n TYR 70 Ca 0.07 -2.72 -0.33 0.00 -0.16 0.00 0.00 57.90 54.76 2c9t n TYR 70 Cb 0.33 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 2c9t n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2c9t n GLY 71 N -0.31 -0.47 2.40 2.72 0.00 -1.15 -2.46 105.19 105.90 2c9t n GLY 71 Ca 0.20 0.17 -0.18 0.00 0.00 0.00 0.00 46.02 46.21 2c9t n GLY 71 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2c9t n ASN 72 N -2.76 -5.16 -4.68 1.61 3.02 0.72 -4.98 115.26 103.02 2c9t n ASN 72 Ca 0.05 0.14 -0.42 0.00 -0.03 0.00 0.00 54.58 54.32 2c9t n ASN 72 Cb 0.51 -4.23 -0.03 0.00 -0.61 0.00 0.00 39.78 35.42 2c9t n ASN 72 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2c9t s ILE 73 N -2.81 3.76 -0.39 2.41 1.01 -1.03 -4.91 121.20 119.24 2c9t s ILE 73 Ca 0.00 1.11 0.13 0.00 0.00 0.00 0.00 60.65 61.89 2c9t s ILE 73 Cb 0.00 -3.72 -0.16 0.00 0.01 0.00 0.00 42.46 38.59 2c9t s ILE 73 CO 0.00 -0.01 0.45 0.35 0.00 0.00 0.00 174.94 175.72 2c9t n THR 74 N 4.75 0.00 -3.56 2.92 -2.24 -1.26 -4.43 114.28 110.46 2c9t n THR 74 Ca 0.13 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 2c9t n THR 74 Cb 0.44 0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 69.33 2c9t n THR 74 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2c9t s ASP 75 N -2.67 -0.39 0.18 3.42 -4.77 -1.26 -1.45 116.67 109.74 2c9t s ASP 75 Ca 0.01 0.32 -0.12 0.00 -3.30 0.00 0.00 52.55 49.47 2c9t s ASP 75 Cb 0.09 0.34 0.00 0.00 -1.09 0.00 0.00 42.92 42.26 2c9t s ASP 75 CO 0.53 -0.43 0.38 0.72 0.70 0.00 0.00 175.17 177.07 2c9t s PHE 76 N -1.61 0.21 0.02 2.11 -0.12 -0.18 -4.98 117.98 113.42 2c9t s PHE 76 Ca -0.01 -0.57 0.04 0.00 -0.05 0.00 0.00 56.93 56.35 2c9t s PHE 76 Cb -0.01 0.12 -0.03 0.00 -0.63 0.00 0.00 43.02 42.47 2c9t s PHE 76 CO -0.00 -0.81 -0.08 1.03 -0.05 0.00 0.00 175.22 175.30 2c9t s ARG 77 N -3.94 2.45 0.08 1.99 1.81 -1.26 -0.58 118.95 119.51 2c9t s ARG 77 Ca 0.15 -0.79 -0.18 0.00 -1.72 0.00 0.00 55.73 53.19 2c9t s ARG 77 Cb 0.01 -2.44 0.04 0.00 -0.45 0.00 0.00 34.95 32.11 2c9t s ARG 77 CO -0.00 0.58 0.43 -0.08 -0.68 0.00 0.00 175.30 175.55 2c9t s THR 78 N -1.01 0.06 0.29 0.02 -1.32 -0.39 -4.99 115.64 108.29 2c9t s THR 78 Ca 0.17 -0.46 -0.28 0.00 -1.21 0.00 0.00 61.69 59.91 2c9t s THR 78 Cb -0.11 -1.04 -0.14 0.00 -1.51 0.00 0.00 72.50 69.70 2c9t s THR 78 CO 0.08 -0.25 1.03 -0.24 -2.21 0.00 0.00 174.62 173.02 2c9t n SER 79 N 0.17 1.38 0.19 8.08 2.88 -1.26 -0.82 113.62 124.23 2c9t n SER 79 Ca -0.17 1.18 0.14 0.00 -1.33 0.00 0.00 58.87 58.69 2c9t n SER 79 Cb 0.62 -1.30 0.53 0.00 -0.75 0.00 0.00 64.21 63.31 2c9t n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2c9t h ALA 80 N 2.06 1.00 0.00 -1.46 0.00 -1.62 -2.00 119.26 117.24 2c9t h ALA 80 Ca -0.40 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2c9t h ALA 80 Cb 1.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2c9t h ALA 80 CO 0.61 0.00 -0.11 0.00 0.00 0.00 0.00 179.25 179.75 2c9t h ALA 81 N 2.18 1.35 -0.00 0.00 0.00 -1.90 -2.94 119.26 117.95 2c9t h ALA 81 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2c9t h ALA 81 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2c9t h ALA 81 CO 0.00 0.14 -0.04 -0.25 0.00 0.00 0.00 179.25 179.10 2c9t n ASP 82 N -3.72 0.13 -4.20 0.00 8.00 -0.75 -4.87 116.55 111.14 2c9t n ASP 82 Ca -0.02 -0.23 -0.14 0.00 0.71 0.00 0.00 54.79 55.11 2c9t n ASP 82 Cb 0.22 -0.22 -0.10 0.00 -0.02 0.00 0.00 41.12 40.99 2c9t n ASP 82 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2c9t s ILE 83 N -2.57 0.99 0.30 0.53 -4.36 -1.11 -5.00 121.20 109.98 2c9t s ILE 83 Ca 0.28 -1.83 -0.29 0.00 -0.26 0.00 0.00 60.65 58.54 2c9t s ILE 83 Cb 0.20 -1.58 -0.10 0.00 1.25 0.00 0.00 42.46 42.22 2c9t s ILE 83 CO 0.47 -0.67 1.40 0.86 0.24 0.00 0.00 174.94 177.24 2c9t s TRP 84 N -2.93 2.96 0.08 1.37 -0.00 -1.26 -4.95 118.94 114.20 2c9t s TRP 84 Ca 0.10 1.20 0.04 0.00 -0.00 0.00 0.00 56.10 57.45 2c9t s TRP 84 Cb 0.00 -3.80 -0.03 0.00 -0.00 0.00 0.00 33.47 29.64 2c9t s TRP 84 CO -0.01 -2.41 -0.12 0.95 -0.00 0.00 0.00 176.95 175.36 2c9t s THR 85 N -0.63 1.00 0.48 5.86 -4.23 -1.26 -5.11 115.64 111.74 2c9t s THR 85 Ca 0.54 -1.39 -0.21 0.00 -1.18 0.00 0.00 61.69 59.45 2c9t s THR 85 Cb -0.42 -1.11 -0.08 0.00 1.34 0.00 0.00 72.50 72.23 2c9t s THR 85 CO 0.50 -0.35 1.08 -2.16 -0.54 0.00 0.00 174.62 173.15 2c9t s PRO 86 N -2.06 3.77 -0.23 3.99 0.04 -1.26 -4.94 135.00 134.32 2c9t s PRO 86 Ca -0.00 1.51 -0.04 0.00 0.04 0.00 0.00 61.00 62.50 2c9t s PRO 86 Cb -0.08 -2.21 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 2c9t s PRO 86 CO 0.01 -0.48 2.92 -0.40 0.04 0.00 0.00 177.00 179.10 2c9t n ASP 87 N -0.79 5.92 -4.69 6.66 5.75 -1.26 -4.94 116.55 123.19 2c9t n ASP 87 Ca 0.09 -2.85 -0.42 0.00 -0.01 0.00 0.00 54.79 51.60 2c9t n ASP 87 Cb 0.51 -1.27 -0.03 0.00 -1.03 0.00 0.00 41.12 39.30 2c9t n ASP 87 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2c9t s ILE 88 N -0.85 3.73 0.01 2.12 -1.09 -1.26 -2.69 121.20 121.16 2c9t s ILE 88 Ca 0.53 1.10 0.03 0.00 -2.23 0.00 0.00 60.65 60.08 2c9t s ILE 88 Cb 0.31 -3.71 -0.01 0.00 -1.58 0.00 0.00 42.46 37.47 2c9t s ILE 88 CO -0.09 -0.01 -0.10 -0.89 -1.23 0.00 0.00 174.94 172.62 2c9t s THR 89 N 2.48 0.78 0.02 2.92 2.01 0.84 -4.90 115.64 119.79 2c9t s THR 89 Ca 0.64 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 2c9t s THR 89 Cb -0.31 -0.68 -0.06 0.00 0.01 0.00 0.00 72.50 71.46 2c9t s THR 89 CO 0.26 0.11 1.48 0.00 -0.69 0.00 0.00 174.62 175.78 2c9t s ALA 90 N -0.44 3.61 -1.60 7.40 0.00 -1.26 -1.43 121.76 128.04 2c9t s ALA 90 Ca 0.02 0.99 0.31 0.00 0.00 0.00 0.00 51.96 53.27 2c9t s ALA 90 Cb -0.05 -3.62 1.60 0.00 0.00 0.00 0.00 23.12 21.05 2c9t s ALA 90 CO 0.00 -0.96 2.09 0.66 0.00 0.00 0.00 175.76 177.54 2c9t n TYR 91 N 5.40 0.00 -2.52 0.00 4.01 0.11 -4.06 117.16 120.10 2c9t n TYR 91 Ca 0.14 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.89 2c9t n TYR 91 Cb 0.43 -0.20 0.02 0.00 -0.31 0.00 0.00 39.34 39.27 2c9t n TYR 91 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2c9t n SER 92 N -1.18 0.72 -4.70 7.72 3.41 -1.26 -5.03 113.62 113.30 2c9t n SER 92 Ca 0.17 -2.02 -0.33 0.00 -0.26 0.00 0.00 58.87 56.43 2c9t n SER 92 Cb 0.21 -0.20 0.13 0.00 -0.26 0.00 0.00 64.21 64.09 2c9t n SER 92 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2c9t s SER 93 N -2.25 3.56 0.00 4.04 1.04 -1.26 -2.02 113.70 116.82 2c9t s SER 93 Ca 0.26 2.31 0.04 0.00 0.48 0.00 0.00 55.95 59.04 2c9t s SER 93 Cb 0.32 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.87 2c9t s SER 93 CO -0.11 -2.69 0.44 0.35 0.98 0.00 0.00 173.24 172.21 2c9t n THR 94 N -3.43 0.00 -3.79 2.02 -2.24 0.22 -4.80 114.28 102.26 2c9t n THR 94 Ca 0.13 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.34 2c9t n THR 94 Cb 0.51 1.05 -0.07 0.00 -2.10 0.00 0.00 70.33 69.72 2c9t n THR 94 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2c9t s ARG 95 N -0.70 0.82 0.27 -0.78 1.81 -1.25 -5.05 118.95 114.06 2c9t s ARG 95 Ca 0.03 -0.67 -0.31 0.00 -1.72 0.00 0.00 55.73 53.06 2c9t s ARG 95 Cb 0.03 0.35 -0.12 0.00 -0.45 0.00 0.00 34.95 34.75 2c9t s ARG 95 CO 0.08 -0.26 1.54 -2.30 -0.68 0.00 0.00 175.30 173.68 2c9t n PRO 96 N 0.35 2.47 -1.61 3.54 -0.02 -1.26 -4.71 135.00 133.77 2c9t n PRO 96 Ca -0.17 0.88 -0.45 0.00 -2.02 0.00 0.00 63.50 61.73 2c9t n PRO 96 Cb 0.61 -2.62 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 2c9t n PRO 96 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2c9t n VAL 97 N 2.19 1.70 -4.02 -1.45 0.31 -1.26 -4.90 118.33 110.90 2c9t n VAL 97 Ca 0.10 -0.43 -0.35 0.00 -0.01 0.00 0.00 64.34 63.66 2c9t n VAL 97 Cb 0.35 -1.08 -0.10 0.00 -0.91 0.00 0.00 33.84 32.10 2c9t n VAL 97 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2c9t s GLN 98 N -1.27 3.90 -0.15 5.55 -0.21 -0.44 -4.98 119.66 122.06 2c9t s GLN 98 Ca 0.62 -0.34 -0.15 0.00 0.02 0.00 0.00 55.36 55.51 2c9t s GLN 98 Cb -0.71 -3.19 -0.04 0.00 1.00 0.00 0.00 33.01 30.07 2c9t s GLN 98 CO 0.58 0.32 0.36 0.08 -2.12 0.00 0.00 175.29 174.51 2c9t s VAL 99 N 0.23 5.26 -0.81 1.09 1.01 -1.26 -0.55 120.40 125.37 2c9t s VAL 99 Ca 0.04 0.69 0.09 0.00 0.00 0.00 0.00 61.98 62.80 2c9t s VAL 99 Cb -0.12 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2c9t s VAL 99 CO 0.00 0.36 0.58 0.18 0.00 0.00 0.00 175.10 176.22 2c9t n LEU 100 N 3.66 1.06 -4.42 3.92 4.77 -0.38 -4.97 117.00 120.64 2c9t n LEU 100 Ca -0.10 -0.72 -0.22 0.00 -0.03 0.00 0.00 56.01 54.94 2c9t n LEU 100 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 2c9t n LEU 100 CO 0.41 0.22 -0.45 -0.94 -1.33 0.00 0.00 177.39 175.29 2c9t s SER 101 N -1.40 3.16 0.21 -1.43 1.04 -1.25 -4.94 113.70 109.10 2c9t s SER 101 Ca 0.07 -1.04 -0.32 0.00 0.48 0.00 0.00 55.95 55.14 2c9t s SER 101 Cb 0.08 -0.23 -0.13 0.00 0.10 0.00 0.00 66.02 65.83 2c9t s SER 101 CO 0.26 -0.07 1.56 -2.65 0.98 0.00 0.00 173.24 173.32 2c9t n PRO 102 N -0.54 2.33 -2.74 4.02 -0.02 -1.26 -4.85 135.00 131.95 2c9t n PRO 102 Ca -0.06 0.84 -0.43 0.00 -2.02 0.00 0.00 63.50 61.82 2c9t n PRO 102 Cb 0.60 -2.59 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 2c9t n PRO 102 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2c9t s GLN 103 N 0.37 3.90 -0.02 -0.52 -1.52 -1.26 -4.89 119.66 115.72 2c9t s GLN 103 Ca 0.73 -2.00 -0.01 0.00 -1.95 0.00 0.00 55.36 52.13 2c9t s GLN 103 Cb -0.61 -5.27 0.02 0.00 -0.22 0.00 0.00 33.01 26.93 2c9t s GLN 103 CO 0.42 -2.03 0.04 0.42 -0.25 0.00 0.00 175.29 173.88 2c9t s ILE 104 N 3.30 -0.03 0.27 1.08 1.01 -1.26 -1.57 121.20 124.00 2c9t s ILE 104 Ca 0.46 0.11 0.10 0.00 0.00 0.00 0.00 60.65 61.32 2c9t s ILE 104 Cb -0.00 -0.07 -0.05 0.00 0.01 0.00 0.00 42.46 42.34 2c9t s ILE 104 CO 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 174.94 174.83 2c9t s ALA 105 N 0.58 2.57 -0.16 9.38 0.00 0.00 -4.59 121.76 129.54 2c9t s ALA 105 Ca -0.05 -1.86 -0.05 0.00 0.00 0.00 0.00 51.96 50.00 2c9t s ALA 105 Cb -0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 2c9t s ALA 105 CO -0.02 0.17 0.01 0.08 0.00 0.00 0.00 175.76 176.00 2c9t s VAL 106 N -2.68 4.37 -0.08 0.00 1.01 -0.51 -1.26 120.40 121.25 2c9t s VAL 106 Ca 0.29 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.12 2c9t s VAL 106 Cb -0.02 -2.94 -0.00 0.00 0.00 0.00 0.00 36.38 33.42 2c9t s VAL 106 CO 0.13 0.48 -0.23 -0.69 0.00 0.00 0.00 175.10 174.79 2c9t s VAL 107 N 0.29 1.98 0.28 2.92 1.01 0.26 -1.58 120.40 125.55 2c9t s VAL 107 Ca 0.00 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.07 2c9t s VAL 107 Cb -0.13 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2c9t s VAL 107 CO 0.01 0.55 0.10 0.42 0.00 0.00 0.00 175.10 176.18 2c9t s THR 108 N 0.16 3.63 0.44 3.92 -4.23 -0.30 -1.02 115.64 118.24 2c9t s THR 108 Ca -0.13 -1.70 0.36 0.00 -1.18 0.00 0.00 61.69 59.04 2c9t s THR 108 Cb -0.16 -3.04 0.38 0.00 1.34 0.00 0.00 72.50 71.02 2c9t s THR 108 CO 0.07 -0.32 2.18 1.12 -0.54 0.00 0.00 174.62 177.12 2c9t h HIS 109 N 1.67 0.00 0.00 3.99 2.07 -1.56 0.90 115.15 122.22 2c9t h HIS 109 Ca -0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 2c9t h HIS 109 Cb 1.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 2c9t h HIS 109 CO 0.63 0.04 0.00 -0.40 -3.07 0.00 0.00 177.93 175.12 2c9t n ASP 110 N -3.28 0.00 0.00 3.10 5.75 -1.26 -1.54 116.55 119.31 2c9t n ASP 110 Ca -0.02 -1.48 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 2c9t n ASP 110 Cb 0.18 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 2c9t n ASP 110 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2c9t n GLY 111 N 0.52 0.81 3.74 6.12 0.00 0.30 -4.71 105.19 111.98 2c9t n GLY 111 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2c9t n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c9t s SER 112 N -2.76 7.05 -0.04 1.61 0.01 -1.20 -0.38 113.70 117.98 2c9t s SER 112 Ca 0.00 2.30 0.06 0.00 1.31 0.00 0.00 55.95 59.62 2c9t s SER 112 Cb 0.00 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.61 2c9t s SER 112 CO 0.00 -0.39 -0.23 -0.69 0.41 0.00 0.00 173.24 172.34 2c9t s VAL 113 N -0.19 1.84 -0.12 3.43 1.01 0.14 -1.15 120.40 125.35 2c9t s VAL 113 Ca 0.53 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2c9t s VAL 113 Cb -0.34 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.52 2c9t s VAL 113 CO 0.38 0.52 -0.14 -0.32 0.00 0.00 0.00 175.10 175.54 2c9t s MET 114 N -0.30 2.12 -0.07 2.72 0.00 -0.62 -1.92 119.30 121.24 2c9t s MET 114 Ca 0.02 -0.51 0.02 0.00 0.00 0.00 0.00 55.69 55.22 2c9t s MET 114 Cb -0.11 -1.87 0.01 0.00 0.00 0.00 0.00 34.83 32.86 2c9t s MET 114 CO 0.01 -0.12 -0.12 0.12 0.00 0.00 0.00 175.02 174.91 2c9t s PHE 115 N 1.17 1.48 -0.52 4.11 5.36 -0.26 -1.42 117.98 127.90 2c9t s PHE 115 Ca -0.03 -0.57 0.06 0.00 -0.96 0.00 0.00 56.93 55.43 2c9t s PHE 115 Cb -0.14 -1.10 0.21 0.00 -0.34 0.00 0.00 43.02 41.65 2c9t s PHE 115 CO -0.04 -0.30 0.52 -0.89 -1.46 0.00 0.00 175.22 173.04 2c9t n ILE 116 N 3.93 0.36 -2.20 3.12 5.41 -1.26 -0.25 119.36 128.47 2c9t n ILE 116 Ca -0.22 -4.31 -0.42 0.00 1.00 0.00 0.00 62.75 58.80 2c9t n ILE 116 Cb 0.52 -1.96 -0.03 0.00 -0.71 0.00 0.00 39.64 37.46 2c9t n ILE 116 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2c9t s PRO 117 N -1.21 4.32 0.14 0.38 0.04 -1.22 -4.77 135.00 132.69 2c9t s PRO 117 Ca 0.33 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 63.10 2c9t s PRO 117 Cb 0.08 -3.32 -0.07 0.00 0.04 0.00 0.00 34.50 31.24 2c9t s PRO 117 CO -0.12 -0.44 1.05 0.00 0.04 0.00 0.00 177.00 177.52 2c9t s ALA 118 N 1.33 3.31 0.00 8.56 0.00 -1.26 -1.22 121.76 132.49 2c9t s ALA 118 Ca 0.64 0.71 0.01 0.00 0.00 0.00 0.00 51.96 53.32 2c9t s ALA 118 Cb -0.35 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.43 2c9t s ALA 118 CO 0.30 -0.15 -0.02 -0.65 0.00 0.00 0.00 175.76 175.23 2c9t s GLN 119 N -0.07 0.19 -0.21 0.00 -0.21 0.30 -1.24 119.66 118.42 2c9t s GLN 119 Ca 0.49 -0.18 -0.07 0.00 0.02 0.00 0.00 55.36 55.62 2c9t s GLN 119 Cb -0.27 -0.12 -0.04 0.00 1.00 0.00 0.00 33.01 33.59 2c9t s GLN 119 CO 0.32 0.03 0.07 0.50 -2.12 0.00 0.00 175.29 174.09 2c9t s ARG 120 N -0.32 3.85 -0.09 2.91 3.52 0.28 -1.79 118.95 127.31 2c9t s ARG 120 Ca -0.02 -0.40 0.03 0.00 -0.13 0.00 0.00 55.73 55.22 2c9t s ARG 120 Cb -0.02 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.10 2c9t s ARG 120 CO -0.00 0.08 -0.21 -1.17 -0.81 0.00 0.00 175.30 173.19 2c9t s LEU 121 N 0.91 1.97 -0.20 -0.88 2.96 0.25 -1.33 118.68 122.37 2c9t s LEU 121 Ca 0.04 -0.50 -0.15 0.00 -0.22 0.00 0.00 54.13 53.30 2c9t s LEU 121 Cb -0.14 -1.26 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 2c9t s LEU 121 CO 0.03 0.12 0.37 -0.44 -1.32 0.00 0.00 176.35 175.11 2c9t s SER 122 N 0.47 6.41 0.20 3.68 0.01 -1.26 -0.40 113.70 122.81 2c9t s SER 122 Ca -0.17 0.48 0.02 0.00 1.31 0.00 0.00 55.95 57.59 2c9t s SER 122 Cb -0.17 -2.22 -0.05 0.00 0.21 0.00 0.00 66.02 63.79 2c9t s SER 122 CO 0.07 -0.05 0.03 0.72 0.41 0.00 0.00 173.24 174.42 2c9t s PHE 123 N 1.21 1.31 -0.16 2.43 -0.12 -0.24 -0.61 117.98 121.80 2c9t s PHE 123 Ca 0.18 -1.07 -0.29 0.00 -0.05 0.00 0.00 56.93 55.69 2c9t s PHE 123 Cb -0.14 -0.75 -0.02 0.00 -0.63 0.00 0.00 43.02 41.48 2c9t s PHE 123 CO 0.07 -0.25 1.34 -1.64 -0.05 0.00 0.00 175.22 174.69 2c9t s MET 124 N -3.95 4.19 -0.30 1.99 -1.94 -0.85 -1.27 119.30 117.16 2c9t s MET 124 Ca 0.28 1.72 -0.12 0.00 -1.71 0.00 0.00 55.69 55.87 2c9t s MET 124 Cb 0.07 -3.82 0.15 0.00 2.01 0.00 0.00 34.83 33.24 2c9t s MET 124 CO 0.07 -0.78 0.82 0.00 -0.01 0.00 0.00 175.02 175.12 2c9t s ASP 126 N 2.69 6.44 -0.03 0.00 -1.08 -1.26 -3.24 116.67 120.18 2c9t s ASP 126 Ca -0.03 0.22 0.05 0.00 -0.52 0.00 0.00 52.55 52.27 2c9t s ASP 126 Cb -0.09 -2.55 0.21 0.00 -1.46 0.00 0.00 42.92 39.03 2c9t s ASP 126 CO -0.18 -1.47 1.02 -0.81 0.52 0.00 0.00 175.17 174.24 2c9t n PRO 127 N 8.36 1.81 -1.77 4.34 -0.04 -1.26 -4.84 135.00 141.61 2c9t n PRO 127 Ca 0.10 -0.84 -0.42 0.00 -0.04 0.00 0.00 63.50 62.29 2c9t n PRO 127 Cb 0.49 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 2c9t n PRO 127 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2c9t s THR 128 N -1.62 2.81 0.00 0.52 2.01 -1.26 -1.83 115.64 116.28 2c9t s THR 128 Ca 0.15 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.32 2c9t s THR 128 Cb 0.10 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.50 2c9t s THR 128 CO 0.07 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 2c9t n GLY 129 N 4.25 0.78 0.22 4.40 0.00 -1.26 -4.81 105.19 108.77 2c9t n GLY 129 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 2c9t n GLY 129 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2c9t h VAL 130 N 0.00 0.99 -0.21 1.61 3.04 -1.58 -3.02 116.25 117.07 2c9t h VAL 130 Ca 0.00 -0.93 -0.08 0.00 -1.01 0.00 0.00 66.70 64.68 2c9t h VAL 130 Cb 0.00 1.53 -0.05 0.00 -2.01 0.00 0.00 31.29 30.77 2c9t h VAL 130 CO 0.00 0.25 0.10 -0.90 -1.01 0.00 0.00 177.57 176.01 2c9t n ASP 131 N -3.95 2.79 -4.50 3.17 5.75 -1.26 0.08 116.55 118.63 2c9t n ASP 131 Ca -0.02 -2.34 -0.24 0.00 -0.01 0.00 0.00 54.79 52.18 2c9t n ASP 131 Cb 0.33 -0.57 -0.11 0.00 -1.03 0.00 0.00 41.12 39.74 2c9t n ASP 131 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2c9t s SER 132 N 0.15 2.97 0.28 -1.12 1.04 -1.14 -4.98 113.70 110.90 2c9t s SER 132 Ca 0.15 -1.32 0.01 0.00 0.48 0.00 0.00 55.95 55.26 2c9t s SER 132 Cb 0.12 -0.21 0.40 0.00 0.10 0.00 0.00 66.02 66.43 2c9t s SER 132 CO 0.03 -0.48 1.75 -0.08 0.98 0.00 0.00 173.24 175.45 2c9t h GLU 133 N 2.05 0.59 -0.02 4.02 4.81 -1.89 -3.10 114.58 121.04 2c9t h GLU 133 Ca -0.42 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 58.55 2c9t h GLU 133 Cb 1.24 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2c9t h GLU 133 CO 0.72 0.72 -0.32 1.49 -0.73 0.00 0.00 179.01 180.89 2c9t h GLU 134 N 0.54 0.04 0.00 1.92 4.81 -1.95 -3.49 114.58 116.44 2c9t h GLU 134 Ca 0.09 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2c9t h GLU 134 Cb 0.56 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2c9t h GLU 134 CO 0.04 0.36 0.00 0.41 -0.73 0.00 0.00 179.01 179.08 2c9t n GLY 135 N -0.57 -0.05 3.03 1.92 0.00 -1.17 -4.89 105.19 103.46 2c9t n GLY 135 Ca -0.02 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 2c9t n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c9t s VAL 136 N 0.00 0.29 -0.13 1.61 0.11 0.03 -4.47 120.40 117.83 2c9t s VAL 136 Ca 0.00 -1.18 -0.01 0.00 -2.93 0.00 0.00 61.98 57.87 2c9t s VAL 136 Cb 0.00 -0.66 -0.02 0.00 -1.53 0.00 0.00 36.38 34.17 2c9t s VAL 136 CO 0.00 -0.57 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.19 2c9t s THR 137 N -1.98 3.14 0.16 5.04 2.01 -1.26 -0.89 115.64 121.85 2c9t s THR 137 Ca -0.09 -0.63 0.05 0.00 0.31 0.00 0.00 61.69 61.34 2c9t s THR 137 Cb -0.06 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 2c9t s THR 137 CO -0.02 0.52 -0.11 0.00 -0.69 0.00 0.00 174.62 174.32 2c9t s ALA 139 N -3.25 -0.18 -0.13 0.00 0.00 -1.26 -0.35 121.76 116.59 2c9t s ALA 139 Ca 0.18 -0.21 -0.05 0.00 0.00 0.00 0.00 51.96 51.87 2c9t s ALA 139 Cb 0.02 0.08 0.06 0.00 0.00 0.00 0.00 23.12 23.28 2c9t s ALA 139 CO 0.02 -0.17 0.28 0.54 0.00 0.00 0.00 175.76 176.42 2c9t s VAL 140 N -1.21 -0.29 0.05 0.00 0.11 -0.23 -4.89 120.40 113.95 2c9t s VAL 140 Ca -0.13 0.22 -0.27 0.00 -2.93 0.00 0.00 61.98 58.87 2c9t s VAL 140 Cb -0.07 -0.45 -0.05 0.00 -1.53 0.00 0.00 36.38 34.27 2c9t s VAL 140 CO 0.01 0.09 0.83 -0.54 -3.33 0.00 0.00 175.10 172.16 2c9t s LYS 141 N 1.99 4.55 0.00 1.54 1.02 -1.26 -0.74 119.74 126.84 2c9t s LYS 141 Ca -0.03 1.19 0.06 0.00 0.02 0.00 0.00 55.97 57.21 2c9t s LYS 141 Cb -0.11 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.79 2c9t s LYS 141 CO -0.09 0.22 -0.17 -0.06 -0.92 0.00 0.00 175.35 174.32 2c9t s PHE 142 N 0.12 2.59 0.02 3.18 0.08 0.08 0.07 117.98 124.12 2c9t s PHE 142 Ca 0.42 -0.24 -0.29 0.00 0.12 0.00 0.00 56.93 56.94 2c9t s PHE 142 Cb -0.21 -1.53 0.11 0.00 -0.57 0.00 0.00 43.02 40.82 2c9t s PHE 142 CO 0.25 0.20 1.22 0.20 -0.10 0.00 0.00 175.22 176.99 2c9t s GLY 143 N -1.11 -0.33 0.50 4.36 0.00 -0.51 -0.44 107.32 109.78 2c9t s GLY 143 Ca 0.13 0.48 -0.23 0.00 0.00 0.00 0.00 44.72 45.09 2c9t s GLY 143 CO 0.03 0.82 1.36 -0.45 0.00 0.00 0.00 173.10 174.86 2c9t s SER 144 N -3.09 5.63 0.08 1.64 0.15 -1.26 -0.11 113.70 116.74 2c9t s SER 144 Ca 0.16 2.77 -0.09 0.00 0.70 0.00 0.00 55.95 59.48 2c9t s SER 144 Cb 0.03 -2.64 -0.23 0.00 -1.71 0.00 0.00 66.02 61.47 2c9t s SER 144 CO -0.02 -1.33 1.17 -0.25 1.20 0.00 0.00 173.24 174.01 2c9t h TRP 145 N 1.89 0.77 0.00 3.44 2.91 -1.87 -3.42 115.95 119.67 2c9t h TRP 145 Ca -0.51 -0.48 0.00 0.00 1.13 0.00 0.00 58.89 59.03 2c9t h TRP 145 Cb 1.28 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.87 2c9t h TRP 145 CO 0.48 1.34 -0.31 1.33 -1.03 0.00 0.00 178.44 180.25 2c9t n VAL 146 N -3.71 0.00 -3.78 2.65 0.24 -1.26 -5.03 118.33 107.44 2c9t n VAL 146 Ca -0.10 -0.22 -0.36 0.00 -2.04 0.00 0.00 64.34 61.61 2c9t n VAL 146 Cb 0.95 0.75 -0.07 0.00 -1.47 0.00 0.00 33.84 34.00 2c9t n VAL 146 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2c9t s TYR 147 N -1.06 3.48 1.02 6.34 2.02 -1.26 -5.10 117.35 122.79 2c9t s TYR 147 Ca 0.00 0.40 -0.17 0.00 -0.37 0.00 0.00 57.07 56.93 2c9t s TYR 147 Cb 0.00 -2.08 0.22 0.00 -0.40 0.00 0.00 41.96 39.70 2c9t s TYR 147 CO 0.00 0.45 1.27 -1.54 -1.57 0.00 0.00 175.55 174.16 2c9t s SER 148 N -0.13 2.55 0.58 2.29 1.04 -1.26 -4.70 113.70 114.07 2c9t s SER 148 Ca 0.10 0.35 0.34 0.00 0.48 0.00 0.00 55.95 57.22 2c9t s SER 148 Cb -0.11 -0.43 1.79 0.00 0.10 0.00 0.00 66.02 67.37 2c9t s SER 148 CO 0.00 -3.09 2.18 1.23 0.98 0.00 0.00 173.24 174.54 2c9t h GLY 149 N -1.89 0.00 2.00 7.32 0.00 -0.45 -0.97 103.07 109.09 2c9t h GLY 149 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2c9t h GLY 149 CO 0.37 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.60 2c9t n PHE 150 N -3.44 0.90 -0.06 5.60 3.72 -1.26 -4.03 117.46 118.88 2c9t n PHE 150 Ca -0.02 0.32 -0.11 0.00 -0.05 0.00 0.00 57.45 57.59 2c9t n PHE 150 Cb 0.17 -1.01 -0.05 0.00 -0.94 0.00 0.00 39.48 37.64 2c9t n PHE 150 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2c9t n GLU 151 N -2.29 0.29 -4.00 -1.08 4.71 -0.88 -4.29 120.64 113.10 2c9t n GLU 151 Ca 0.03 0.09 -0.31 0.00 -0.01 0.00 0.00 57.16 56.97 2c9t n GLU 151 Cb 0.30 -1.11 -0.16 0.00 -1.01 0.00 0.00 31.44 29.46 2c9t n GLU 151 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2c9t s ILE 152 N -2.24 1.73 0.01 -3.67 1.01 -0.42 -0.97 121.20 116.65 2c9t s ILE 152 Ca -0.17 -1.21 -0.11 0.00 0.00 0.00 0.00 60.65 59.16 2c9t s ILE 152 Cb 0.05 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 2c9t s ILE 152 CO 0.26 0.05 0.35 -0.62 0.00 0.00 0.00 174.94 174.98 2c9t s ASP 153 N 1.33 6.64 0.16 3.58 2.15 0.12 -3.99 116.67 126.66 2c9t s ASP 153 Ca -0.04 0.77 0.07 0.00 0.43 0.00 0.00 52.55 53.77 2c9t s ASP 153 Cb -0.18 -2.17 -0.04 0.00 -0.30 0.00 0.00 42.92 40.23 2c9t s ASP 153 CO -0.07 0.27 0.02 -0.76 -0.17 0.00 0.00 175.17 174.46 2c9t s LEU 154 N -1.47 3.41 -0.10 -1.34 1.43 -1.26 -0.04 118.68 119.31 2c9t s LEU 154 Ca 0.26 -0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 2c9t s LEU 154 Cb -0.15 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.03 2c9t s LEU 154 CO 0.14 0.10 0.32 -0.75 0.23 0.00 0.00 176.35 176.39 2c9t s LYS 155 N -2.86 0.45 0.16 1.70 2.20 -0.28 -4.91 119.74 116.20 2c9t s LYS 155 Ca 0.28 0.29 0.07 0.00 -0.36 0.00 0.00 55.97 56.25 2c9t s LYS 155 Cb -0.10 0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 36.39 2c9t s LYS 155 CO 0.19 -0.08 -0.02 0.95 -0.36 0.00 0.00 175.35 176.03 2c9t s THR 156 N -0.20 3.66 0.16 3.43 -4.23 -1.26 -0.15 115.64 117.06 2c9t s THR 156 Ca -0.03 -1.40 -0.01 0.00 -1.18 0.00 0.00 61.69 59.07 2c9t s THR 156 Cb -0.03 -2.82 -0.13 0.00 1.34 0.00 0.00 72.50 70.86 2c9t s THR 156 CO 0.01 -0.07 1.39 0.44 -0.54 0.00 0.00 174.62 175.85 2c9t h ASP 157 N 2.87 0.43 -5.03 3.99 3.32 -1.97 -3.47 116.42 116.56 2c9t h ASP 157 Ca -0.47 -0.31 -0.09 0.00 0.02 0.00 0.00 57.03 56.18 2c9t h ASP 157 Cb 1.20 -0.13 -0.17 0.00 0.22 0.00 0.00 39.33 40.45 2c9t h ASP 157 CO 0.57 1.08 -0.15 0.28 -1.72 0.00 0.00 179.24 179.31 2c9t s THR 158 N -3.42 0.06 -2.11 0.35 -1.32 -1.26 -5.03 115.64 102.91 2c9t s THR 158 Ca -0.05 -0.49 0.29 0.00 -1.21 0.00 0.00 61.69 60.23 2c9t s THR 158 Cb 0.10 -0.91 0.76 0.00 -1.51 0.00 0.00 72.50 70.95 2c9t s THR 158 CO 0.84 -0.27 2.03 0.47 -2.21 0.00 0.00 174.62 175.48 2c9t n ASP 159 N 0.64 0.38 -4.58 8.08 8.00 -1.26 -4.77 116.55 123.04 2c9t n ASP 159 Ca -0.19 -1.19 -0.41 0.00 0.71 0.00 0.00 54.79 53.71 2c9t n ASP 159 Cb 0.59 -0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.61 2c9t n ASP 159 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2c9t s GLN 160 N -1.99 3.82 0.45 -1.24 -1.52 -1.26 -0.89 119.66 117.03 2c9t s GLN 160 Ca 0.42 0.05 -0.24 0.00 -1.95 0.00 0.00 55.36 53.64 2c9t s GLN 160 Cb 0.20 -3.74 -0.07 0.00 -0.22 0.00 0.00 33.01 29.18 2c9t s GLN 160 CO 0.34 -0.52 1.27 0.08 -0.25 0.00 0.00 175.29 176.21 2c9t s VAL 161 N 2.37 2.66 -0.44 1.09 1.01 -0.98 -4.89 120.40 121.23 2c9t s VAL 161 Ca 0.20 0.54 -0.29 0.00 0.00 0.00 0.00 61.98 62.43 2c9t s VAL 161 Cb -0.15 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 32.95 2c9t s VAL 161 CO 0.12 0.04 1.20 -0.62 0.00 0.00 0.00 175.10 175.83 2c9t s ASP 162 N -0.98 6.60 -0.01 3.32 2.15 -0.63 -4.86 116.67 122.26 2c9t s ASP 162 Ca 0.62 0.63 0.11 0.00 0.43 0.00 0.00 52.55 54.34 2c9t s ASP 162 Cb -0.35 -2.55 0.32 0.00 -0.30 0.00 0.00 42.92 40.04 2c9t s ASP 162 CO 0.44 -1.25 1.27 0.18 -0.17 0.00 0.00 175.17 175.64 2c9t n LEU 163 N 7.94 2.99 0.26 -1.34 4.77 -1.26 -1.71 117.00 128.65 2c9t n LEU 163 Ca 0.13 -2.07 0.16 0.00 -0.03 0.00 0.00 56.01 54.20 2c9t n LEU 163 Cb 0.48 -0.25 0.60 0.00 -2.33 0.00 0.00 43.42 41.92 2c9t n LEU 163 CO 0.70 0.73 0.95 0.77 -1.33 0.00 0.00 177.39 179.20 2c9t h SER 164 N 2.01 0.00 -0.55 -1.43 4.64 -1.89 -2.02 113.55 114.31 2c9t h SER 164 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c9t h SER 164 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2c9t h SER 164 CO 0.02 0.04 0.00 -1.20 -0.87 0.00 0.00 176.83 174.81 2c9t n SER 165 N -3.14 3.69 -4.70 4.97 7.64 -1.26 -5.00 113.62 115.81 2c9t n SER 165 Ca 0.01 -2.13 -0.42 0.00 1.01 0.00 0.00 58.87 57.34 2c9t n SER 165 Cb 0.35 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 63.11 2c9t n SER 165 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2c9t s TYR 166 N -1.23 2.62 -0.25 1.43 5.04 -0.76 -4.64 117.35 119.55 2c9t s TYR 166 Ca 0.39 0.41 -0.34 0.00 -2.44 0.00 0.00 57.07 55.10 2c9t s TYR 166 Cb 0.22 -3.96 -0.10 0.00 0.35 0.00 0.00 41.96 38.47 2c9t s TYR 166 CO 0.24 -3.74 2.10 0.98 -1.34 0.00 0.00 175.55 173.79 2c9t n TYR 167 N 5.07 1.88 0.24 4.97 9.36 0.08 -4.85 117.16 133.92 2c9t n TYR 167 Ca 0.15 0.13 0.08 0.00 3.32 0.00 0.00 57.90 61.58 2c9t n TYR 167 Cb 0.40 -2.61 0.59 0.00 -0.63 0.00 0.00 39.34 37.09 2c9t n TYR 167 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2c9t h ALA 168 N 11.98 1.58 -0.62 2.98 0.00 -1.90 -2.68 119.26 130.60 2c9t h ALA 168 Ca -0.36 -0.14 -0.35 0.00 0.00 0.00 0.00 54.91 54.06 2c9t h ALA 168 Cb 1.29 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.85 2c9t h ALA 168 CO 0.99 0.19 0.17 0.43 0.00 0.00 0.00 179.25 181.03 2c9t n SER 169 N -4.11 3.42 -4.72 0.00 7.64 -1.26 -5.01 113.62 109.57 2c9t n SER 169 Ca -0.02 -3.74 -0.33 0.00 1.01 0.00 0.00 58.87 55.79 2c9t n SER 169 Cb 0.23 -0.71 0.11 0.00 -1.01 0.00 0.00 64.21 62.83 2c9t n SER 169 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2c9t s SER 170 N -2.18 4.00 0.53 6.43 0.15 -1.01 -4.90 113.70 116.71 2c9t s SER 170 Ca 0.50 2.16 0.28 0.00 0.70 0.00 0.00 55.95 59.60 2c9t s SER 170 Cb 0.44 -2.57 1.51 0.00 -1.71 0.00 0.00 66.02 63.69 2c9t s SER 170 CO 0.03 -2.39 2.09 0.11 1.20 0.00 0.00 173.24 174.29 2c9t h LYS 171 N -0.86 0.00 -5.65 5.44 1.79 -1.89 -3.44 116.57 111.97 2c9t h LYS 171 Ca -0.45 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.33 2c9t h LYS 171 Cb 1.27 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 31.60 2c9t h LYS 171 CO 0.48 0.10 -0.88 0.71 -1.08 0.00 0.00 179.45 178.79 2c9t s TYR 172 N -4.19 2.52 0.05 -1.35 2.02 -1.26 -0.47 117.35 114.67 2c9t s TYR 172 Ca -0.03 -0.88 -0.22 0.00 -0.37 0.00 0.00 57.07 55.57 2c9t s TYR 172 Cb 0.13 -1.67 -0.06 0.00 -0.40 0.00 0.00 41.96 39.96 2c9t s TYR 172 CO 0.57 -0.32 0.67 -1.21 -1.57 0.00 0.00 175.55 173.70 2c9t s GLU 173 N 0.11 4.39 -0.15 -0.62 2.02 0.31 -4.80 118.70 119.96 2c9t s GLU 173 Ca -0.12 0.90 -0.23 0.00 0.02 0.00 0.00 54.97 55.55 2c9t s GLU 173 Cb -0.16 -3.32 -0.02 0.00 0.10 0.00 0.00 34.13 30.73 2c9t s GLU 173 CO 0.06 0.42 0.71 0.42 0.02 0.00 0.00 175.26 176.89 2c9t s ILE 174 N -0.46 4.99 -0.17 -1.63 -1.09 -1.26 -0.54 121.20 121.03 2c9t s ILE 174 Ca 0.34 1.39 -0.19 0.00 -2.23 0.00 0.00 60.65 59.95 2c9t s ILE 174 Cb -0.20 -4.03 -0.22 0.00 -1.58 0.00 0.00 42.46 36.43 2c9t s ILE 174 CO 0.21 0.13 0.34 -0.07 -1.23 0.00 0.00 174.94 174.31 2c9t h LEU 175 N 7.83 0.12 -7.20 2.97 3.38 -0.80 -3.48 115.31 118.13 2c9t h LEU 175 Ca -0.33 -0.67 -0.07 0.00 0.09 0.00 0.00 57.88 56.90 2c9t h LEU 175 Cb 1.15 -0.04 -0.17 0.00 0.09 0.00 0.00 40.66 41.70 2c9t h LEU 175 CO 0.79 1.52 0.03 -0.94 0.09 0.00 0.00 178.44 179.93 2c9t s SER 176 N -6.86 -0.44 -0.06 -0.43 1.04 -0.96 -5.00 113.70 100.99 2c9t s SER 176 Ca -0.26 0.23 -0.03 0.00 0.48 0.00 0.00 55.95 56.38 2c9t s SER 176 Cb 0.05 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.69 2c9t s SER 176 CO 0.65 -0.68 0.11 0.00 0.98 0.00 0.00 173.24 174.30 2c9t s ALA 177 N -2.20 -0.01 0.26 5.32 0.00 -1.26 -0.41 121.76 123.46 2c9t s ALA 177 Ca -0.07 0.42 0.10 0.00 0.00 0.00 0.00 51.96 52.41 2c9t s ALA 177 Cb -0.01 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.40 2c9t s ALA 177 CO 0.00 -0.45 -0.16 0.95 0.00 0.00 0.00 175.76 176.10 2c9t s THR 178 N 2.02 2.15 -0.13 0.00 -4.23 0.10 -2.31 115.64 113.24 2c9t s THR 178 Ca 0.01 -2.30 -0.04 0.00 -1.18 0.00 0.00 61.69 58.18 2c9t s THR 178 Cb -0.12 -2.27 0.05 0.00 1.34 0.00 0.00 72.50 71.50 2c9t s THR 178 CO -0.05 -0.43 0.07 0.00 -0.54 0.00 0.00 174.62 173.67 2c9t s GLN 179 N -3.58 0.13 -0.10 3.99 -2.07 -0.07 -0.88 119.66 117.08 2c9t s GLN 179 Ca 0.28 0.00 -0.01 0.00 -1.82 0.00 0.00 55.36 53.82 2c9t s GLN 179 Cb -0.02 -1.48 0.03 0.00 -1.09 0.00 0.00 33.01 30.44 2c9t s GLN 179 CO 0.12 -0.56 -0.06 0.99 -1.32 0.00 0.00 175.29 174.46 2c9t s THR 180 N 2.10 0.89 0.22 3.63 2.01 -0.63 -4.00 115.64 119.86 2c9t s THR 180 Ca 0.03 -0.20 -0.32 0.00 0.31 0.00 0.00 61.69 61.51 2c9t s THR 180 Cb -0.15 -0.93 -0.12 0.00 0.01 0.00 0.00 72.50 71.31 2c9t s THR 180 CO -0.07 0.34 1.68 -0.60 -0.69 0.00 0.00 174.62 175.29 2c9t s ARG 181 N 1.74 4.14 0.03 4.92 3.52 -1.26 -0.15 118.95 131.88 2c9t s ARG 181 Ca 0.05 2.57 0.05 0.00 -0.13 0.00 0.00 55.73 58.26 2c9t s ARG 181 Cb -0.13 -3.08 -0.02 0.00 -1.56 0.00 0.00 34.95 30.17 2c9t s ARG 181 CO -0.07 -0.72 -0.14 -0.65 -0.81 0.00 0.00 175.30 172.92 2c9t s GLN 182 N 0.92 0.95 -0.14 5.12 -0.21 0.07 -4.93 119.66 121.44 2c9t s GLN 182 Ca 0.72 -0.68 0.02 0.00 0.02 0.00 0.00 55.36 55.44 2c9t s GLN 182 Cb -0.49 -0.94 0.00 0.00 1.00 0.00 0.00 33.01 32.58 2c9t s GLN 182 CO 0.34 0.24 -0.19 0.08 -2.12 0.00 0.00 175.29 173.64 2c9t s VAL 183 N -0.72 2.30 -0.01 1.09 1.01 -1.26 -1.43 120.40 121.39 2c9t s VAL 183 Ca 0.02 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.16 2c9t s VAL 183 Cb -0.07 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2c9t s VAL 183 CO 0.01 0.54 -0.20 -1.58 0.00 0.00 0.00 175.10 173.86 2c9t s GLN 184 N 0.77 1.63 0.14 2.72 2.00 0.81 -4.95 119.66 122.78 2c9t s GLN 184 Ca -0.07 -0.72 0.11 0.00 -2.00 0.00 0.00 55.36 52.67 2c9t s GLN 184 Cb -0.16 -1.58 -0.04 0.00 0.80 0.00 0.00 33.01 32.04 2c9t s GLN 184 CO -0.00 0.43 -0.25 -1.01 -0.50 0.00 0.00 175.29 173.96 2c9t s HIS 185 N -0.48 2.34 0.12 1.67 3.76 -1.26 -0.32 115.29 121.12 2c9t s HIS 185 Ca 0.08 -0.36 0.05 0.00 -0.15 0.00 0.00 55.06 54.67 2c9t s HIS 185 Cb -0.08 -1.24 -0.04 0.00 1.11 0.00 0.00 32.58 32.34 2c9t s HIS 185 CO -0.01 0.38 -0.11 0.71 -0.85 0.00 0.00 174.74 174.86 2c9t s TYR 186 N -1.20 1.21 0.21 1.40 2.02 -1.26 -5.05 117.35 114.68 2c9t s TYR 186 Ca 0.16 -0.65 -0.08 0.00 -0.37 0.00 0.00 57.07 56.12 2c9t s TYR 186 Cb -0.10 -0.64 0.16 0.00 -0.40 0.00 0.00 41.96 40.98 2c9t s TYR 186 CO 0.07 0.06 1.79 0.77 -1.57 0.00 0.00 175.55 176.68 2c9t h SER 187 N 3.35 1.06 -1.36 2.29 0.02 -2.02 -2.90 113.55 113.99 2c9t h SER 187 Ca -0.38 -0.15 0.40 0.00 -0.84 0.00 0.00 61.79 60.82 2c9t h SER 187 Cb 1.19 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.40 2c9t h SER 187 CO 0.55 0.92 1.05 0.00 -1.14 0.00 0.00 176.83 178.21 2c9t n PRO 190 N 3.61 0.00 -2.53 0.00 -0.04 -1.26 -4.27 135.00 130.50 2c9t n PRO 190 Ca -0.19 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.90 2c9t n PRO 190 Cb 0.56 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.48 2c9t n PRO 190 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2c9t s GLU 191 N -3.00 4.20 0.43 0.54 8.01 -1.26 -5.04 118.70 122.58 2c9t s GLU 191 Ca 0.13 1.54 -0.24 0.00 0.01 0.00 0.00 54.97 56.41 2c9t s GLU 191 Cb 0.18 -2.60 -0.08 0.00 -4.31 0.00 0.00 34.13 27.32 2c9t s GLU 191 CO 0.60 -0.11 1.11 -1.25 0.01 0.00 0.00 175.26 175.62 2c9t s PRO 192 N -2.40 3.98 -0.14 0.39 0.04 -1.26 -4.65 135.00 130.95 2c9t s PRO 192 Ca 0.57 1.65 0.02 0.00 0.04 0.00 0.00 61.00 63.27 2c9t s PRO 192 Cb -0.23 -2.49 0.01 0.00 0.04 0.00 0.00 34.50 31.83 2c9t s PRO 192 CO 0.29 -0.33 -0.20 0.71 0.04 0.00 0.00 177.00 177.50 2c9t s TYR 193 N -1.60 2.70 -0.08 0.56 1.51 0.57 0.13 117.35 121.14 2c9t s TYR 193 Ca 0.60 -1.25 0.01 0.00 -1.01 0.00 0.00 57.07 55.42 2c9t s TYR 193 Cb -0.25 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 2c9t s TYR 193 CO 0.31 -0.57 -0.08 0.42 -1.11 0.00 0.00 175.55 174.52 2c9t s ILE 194 N 0.81 3.59 0.15 2.71 1.09 -1.26 -0.13 121.20 128.16 2c9t s ILE 194 Ca -0.07 -0.52 -0.00 0.00 -1.10 0.00 0.00 60.65 58.97 2c9t s ILE 194 Cb -0.15 -2.47 -0.04 0.00 -1.06 0.00 0.00 42.46 38.73 2c9t s ILE 194 CO -0.01 0.58 0.05 1.51 -0.10 0.00 0.00 174.94 176.97 2c9t s ASP 195 N -0.63 0.53 -0.23 3.58 1.47 -0.51 -4.55 116.67 116.33 2c9t s ASP 195 Ca 0.09 -1.23 -0.02 0.00 1.18 0.00 0.00 52.55 52.58 2c9t s ASP 195 Cb -0.11 0.26 0.02 0.00 -0.34 0.00 0.00 42.92 42.74 2c9t s ASP 195 CO 0.02 -0.70 -0.08 -0.69 0.68 0.00 0.00 175.17 174.40 2c9t s VAL 196 N -3.96 2.87 -0.47 2.11 1.01 0.41 -0.75 120.40 121.62 2c9t s VAL 196 Ca 0.26 -0.91 -0.26 0.00 0.00 0.00 0.00 61.98 61.07 2c9t s VAL 196 Cb 0.07 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 34.08 2c9t s VAL 196 CO 0.04 0.29 0.97 0.21 0.00 0.00 0.00 175.10 176.61 2c9t s ASN 197 N 1.35 6.52 -0.41 3.32 2.47 0.79 -0.74 114.94 128.24 2c9t s ASN 197 Ca 0.02 0.18 -0.23 0.00 0.42 0.00 0.00 52.86 53.25 2c9t s ASN 197 Cb -0.16 -2.47 0.02 0.00 -1.45 0.00 0.00 41.25 37.19 2c9t s ASN 197 CO -0.05 -1.10 0.80 -0.22 -3.72 0.00 0.00 177.10 172.80 2c9t s LEU 198 N 3.92 4.17 -0.24 3.21 2.96 0.08 -1.60 118.68 131.19 2c9t s LEU 198 Ca 0.39 0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 54.40 2c9t s LEU 198 Cb -0.09 -3.01 0.03 0.00 0.50 0.00 0.00 46.19 43.61 2c9t s LEU 198 CO 0.27 -0.85 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.68 2c9t s VAL 199 N 3.26 2.71 -0.13 1.68 1.01 -0.06 -1.07 120.40 127.80 2c9t s VAL 199 Ca 0.31 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2c9t s VAL 199 Cb -0.12 -2.35 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 2c9t s VAL 199 CO 0.21 0.25 -0.18 -0.69 0.00 0.00 0.00 175.10 174.68 2c9t s VAL 200 N 1.31 2.47 -0.15 2.92 1.01 0.53 -0.73 120.40 127.77 2c9t s VAL 200 Ca 0.01 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.13 2c9t s VAL 200 Cb -0.16 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 2c9t s VAL 200 CO -0.06 0.53 -0.13 -0.75 0.00 0.00 0.00 175.10 174.69 2c9t s LYS 201 N 0.60 3.31 0.04 2.72 2.20 0.45 -0.11 119.74 128.95 2c9t s LYS 201 Ca -0.10 -0.71 -0.19 0.00 -0.36 0.00 0.00 55.97 54.61 2c9t s LYS 201 Cb -0.16 -2.66 0.04 0.00 -1.51 0.00 0.00 37.83 33.54 2c9t s LYS 201 CO 0.03 0.09 0.43 -0.59 -0.36 0.00 0.00 175.35 174.95 2c9t s PHE 202 N 0.65 -0.29 0.13 4.03 -0.12 -0.07 -0.02 117.98 122.28 2c9t s PHE 202 Ca -0.07 0.29 -0.00 0.00 -0.05 0.00 0.00 56.93 57.09 2c9t s PHE 202 Cb -0.16 0.24 -0.04 0.00 -0.63 0.00 0.00 43.02 42.43 2c9t s PHE 202 CO 0.02 -0.57 0.03 -0.98 -0.05 0.00 0.00 175.22 173.67 2c9t s ARG 203 N -2.38 0.94 0.10 1.99 1.70 0.30 -0.79 118.95 120.80 2c9t s ARG 203 Ca -0.06 -1.44 -0.32 0.00 -0.47 0.00 0.00 55.73 53.44 2c9t s ARG 203 Cb -0.01 0.11 -0.11 0.00 -0.57 0.00 0.00 34.95 34.36 2c9t s ARG 203 CO -0.02 -0.21 1.80 -1.91 -1.08 0.00 0.00 175.30 173.89 2c9t n GLU 204 N -0.11 2.60 0.00 3.89 2.13 0.11 0.11 120.64 129.38 2c9t n GLU 204 Ca -0.07 0.95 0.16 0.00 0.66 0.00 0.00 57.16 58.85 2c9t n GLU 204 Cb 0.63 -2.81 0.85 0.00 0.27 0.00 0.00 31.44 30.38 2c9t n GLU 204 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59