#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 -0.28 -0.17 -1.58 0.00 -2.03 0.19 119.26 115.39 2c9t h ALA 2 Ca 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2c9t h ALA 2 Cb 0.00 0.98 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2c9t h ALA 2 CO 0.00 -0.81 -0.10 -0.91 0.00 0.00 0.00 179.25 177.43 2c9t h ASN 3 N -0.19 0.26 0.13 0.00 2.35 -1.99 -1.82 115.58 114.31 2c9t h ASN 3 Ca 0.20 -0.05 -0.21 0.00 -0.55 0.00 0.00 56.30 55.69 2c9t h ASN 3 Cb 0.56 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.86 2c9t h ASN 3 CO -0.73 0.39 -0.81 0.25 -1.65 0.00 0.00 177.43 174.88 2c9t h LEU 4 N 0.26 0.66 -1.06 1.61 5.85 -1.62 -1.79 115.31 119.23 2c9t h LEU 4 Ca 0.05 -0.46 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 2c9t h LEU 4 Cb 0.35 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 2c9t h LEU 4 CO 0.02 1.23 0.29 0.24 -0.34 0.00 0.00 178.44 179.88 2c9t h MET 5 N 0.36 0.95 -0.34 1.25 2.86 -0.55 -1.19 114.93 118.28 2c9t h MET 5 Ca -0.05 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.40 2c9t h MET 5 Cb 1.41 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 2c9t h MET 5 CO 0.15 0.76 0.04 -0.09 1.06 0.00 0.00 176.91 178.83 2c9t h ARG 6 N 0.94 0.57 -0.11 1.72 2.43 -1.25 -1.39 114.38 117.30 2c9t h ARG 6 Ca 0.23 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2c9t h ARG 6 Cb 0.15 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2c9t h ARG 6 CO -0.02 0.66 0.01 1.25 -1.51 0.00 0.00 179.97 180.35 2c9t h LEU 7 N 0.40 0.18 -1.07 3.80 5.85 -1.16 -0.60 115.31 122.71 2c9t h LEU 7 Ca 0.10 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.54 2c9t h LEU 7 Cb 0.38 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 2c9t h LEU 7 CO 0.01 0.42 0.60 0.11 -0.34 0.00 0.00 178.44 179.24 2c9t h LYS 8 N -0.08 1.22 -0.31 1.25 1.57 -1.21 0.70 116.57 119.71 2c9t h LYS 8 Ca 0.03 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 2c9t h LYS 8 Cb 0.33 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2c9t h LYS 8 CO 0.00 0.82 0.05 1.03 -0.57 0.00 0.00 179.45 180.78 2c9t h SER 9 N 1.26 0.50 -0.54 0.86 0.87 -1.13 -1.59 113.55 113.77 2c9t h SER 9 Ca 0.34 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2c9t h SER 9 Cb -0.12 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 2c9t h SER 9 CO -0.07 0.64 0.26 0.44 -0.53 0.00 0.00 176.83 177.57 2c9t h ASP 10 N 0.34 0.71 -0.26 6.23 3.32 -0.72 -0.69 116.42 125.34 2c9t h ASP 10 Ca 0.09 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 2c9t h ASP 10 Cb 0.35 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2c9t h ASP 10 CO 0.01 0.64 -0.16 -0.07 -1.72 0.00 0.00 179.24 177.93 2c9t h LEU 11 N 0.73 0.70 0.00 1.55 3.38 -0.85 -3.38 115.31 117.43 2c9t h LEU 11 Ca 0.19 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2c9t h LEU 11 Cb 0.12 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2c9t h LEU 11 CO -0.02 0.87 -1.38 0.49 0.09 0.00 0.00 178.44 178.49 2c9t n PHE 12 N -4.15 0.00 -1.25 1.13 3.72 -0.60 -4.70 117.46 111.61 2c9t n PHE 12 Ca 0.01 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.32 2c9t n PHE 12 Cb 0.39 -0.27 0.22 0.00 -0.94 0.00 0.00 39.48 38.88 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 -2.25 3.48 0.00 4.37 3.02 -0.27 -4.57 115.26 119.03 2c9t n ASN 13 Ca -0.09 -3.53 0.00 0.00 -0.03 0.00 0.00 54.58 50.93 2c9t n ASN 13 Cb 0.67 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 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 -0.87 0.54 -4.48 3.52 1.74 -1.25 -4.94 116.66 110.92 2c9t n ARG 14 Ca 0.41 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 57.22 2c9t n ARG 14 Cb 1.28 -0.94 -0.10 0.00 -1.02 0.00 0.00 32.46 31.68 2c9t n ARG 14 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2c9t s SER 15 N -3.71 4.03 0.82 0.55 0.01 -1.26 -5.11 113.70 109.04 2c9t s SER 15 Ca 0.00 -1.28 -0.11 0.00 1.31 0.00 0.00 55.95 55.87 2c9t s SER 15 Cb 0.00 -0.42 0.09 0.00 0.21 0.00 0.00 66.02 65.89 2c9t s SER 15 CO 0.00 -0.47 1.10 -2.84 0.41 0.00 0.00 173.24 171.44 2c9t s PRO 16 N -3.76 1.82 0.64 12.44 0.02 -1.26 -4.95 135.00 139.96 2c9t s PRO 16 Ca 0.37 1.17 -0.17 0.00 0.02 0.00 0.00 61.00 62.39 2c9t s PRO 16 Cb 0.08 -1.85 -0.01 0.00 0.02 0.00 0.00 34.50 32.74 2c9t s PRO 16 CO 0.19 -1.95 1.21 1.41 -0.33 0.00 0.00 177.00 177.54 2c9t s MET 17 N -4.86 2.67 -0.18 5.54 1.75 -1.26 -4.89 119.30 118.07 2c9t s MET 17 Ca 0.63 1.82 -0.40 0.00 -1.25 0.00 0.00 55.69 56.48 2c9t s MET 17 Cb -0.18 -1.89 -0.17 0.00 2.84 0.00 0.00 34.83 35.43 2c9t s MET 17 CO 0.57 -1.44 1.56 0.98 -0.65 0.00 0.00 175.02 176.03 2c9t n TYR 18 N -2.00 1.75 1.95 4.11 9.36 -1.26 -4.85 117.16 126.22 2c9t n TYR 18 Ca 0.14 0.68 0.15 0.00 3.32 0.00 0.00 57.90 62.19 2c9t n TYR 18 Cb 0.50 -2.36 0.87 0.00 -0.63 0.00 0.00 39.34 37.71 2c9t n TYR 18 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2c9t n PRO 19 N 4.07 0.98 0.00 2.98 -0.04 -1.26 -4.79 135.00 136.93 2c9t n PRO 19 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2c9t n PRO 19 Cb 0.12 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 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 0.92 0.68 3.81 0.55 0.00 -1.26 -5.04 105.19 104.84 2c9t n GLY 20 Ca 0.22 -1.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.18 2.66 0.29 1.61 0.04 -1.26 -5.06 135.00 131.10 2c9t s PRO 21 Ca 0.00 0.88 0.04 0.00 0.04 0.00 0.00 61.00 61.97 2c9t s PRO 21 Cb 0.00 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 2c9t s PRO 21 CO 0.00 -1.28 0.22 0.95 0.04 0.00 0.00 177.00 176.93 2c9t s THR 22 N -3.06 0.06 0.46 1.26 -4.23 -1.20 -4.98 115.64 103.94 2c9t s THR 22 Ca 0.59 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.25 2c9t s THR 22 Cb -0.14 -2.50 0.20 0.00 1.34 0.00 0.00 72.50 71.40 2c9t s THR 22 CO 0.55 0.00 2.02 0.07 -0.54 0.00 0.00 174.62 176.72 2c9t h LYS 23 N 2.28 0.00 0.00 3.99 2.10 -1.92 -2.03 116.57 120.99 2c9t h LYS 23 Ca -0.29 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.17 2c9t h LYS 23 Cb 1.24 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.54 2c9t h LYS 23 CO 0.44 0.15 -1.06 -0.44 -2.00 0.00 0.00 179.45 176.54 2c9t h ASP 24 N 0.00 0.00 -2.23 7.07 3.32 -1.97 -3.38 116.42 119.23 2c9t h ASP 24 Ca -0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.46 2c9t h ASP 24 Cb 0.27 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 39.41 2c9t h ASP 24 CO 0.02 0.75 -0.68 -0.67 -1.72 0.00 0.00 179.24 176.94 2c9t n ASP 25 N -3.15 3.87 -4.75 6.45 2.03 -0.97 -5.12 116.55 114.91 2c9t n ASP 25 Ca -0.04 -3.53 -0.30 0.00 0.52 0.00 0.00 54.79 51.44 2c9t n ASP 25 Cb 0.87 -0.60 0.12 0.00 -0.72 0.00 0.00 41.12 40.79 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 -3.01 1.53 0.05 -0.67 0.04 -0.80 -3.26 135.00 128.88 2c9t s PRO 26 Ca 0.45 0.76 0.05 0.00 0.04 0.00 0.00 61.00 62.30 2c9t s PRO 26 Cb 0.24 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.91 2c9t s PRO 26 CO -0.09 -2.04 -0.15 -0.51 0.04 0.00 0.00 177.00 174.25 2c9t s LEU 27 N -6.07 2.21 -0.22 -3.56 1.43 -0.11 -4.95 118.68 107.41 2c9t s LEU 27 Ca 0.63 -0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 53.13 2c9t s LEU 27 Cb -0.17 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.40 2c9t s LEU 27 CO 0.56 0.01 0.04 -0.89 0.23 0.00 0.00 176.35 176.30 2c9t s THR 28 N -1.00 4.23 -0.26 5.49 2.01 -1.26 -1.25 115.64 123.59 2c9t s THR 28 Ca 0.01 -0.21 -0.09 0.00 0.31 0.00 0.00 61.69 61.71 2c9t s THR 28 Cb -0.09 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 2c9t s THR 28 CO 0.02 0.39 0.11 -0.69 -0.69 0.00 0.00 174.62 173.76 2c9t s VAL 29 N 1.17 4.63 -0.17 3.82 1.01 0.39 -4.40 120.40 126.85 2c9t s VAL 29 Ca 0.04 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 2c9t s VAL 29 Cb -0.14 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2c9t s VAL 29 CO 0.02 0.29 0.45 -0.89 0.00 0.00 0.00 175.10 174.98 2c9t s THR 30 N 1.66 5.17 -0.07 3.92 2.01 0.21 -0.89 115.64 127.65 2c9t s THR 30 Ca 0.06 0.85 0.04 0.00 0.31 0.00 0.00 61.69 62.96 2c9t s THR 30 Cb -0.16 -3.79 -0.00 0.00 0.01 0.00 0.00 72.50 68.57 2c9t s THR 30 CO 0.06 0.26 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.82 2c9t s LEU 31 N 1.14 1.98 0.02 4.42 2.96 0.49 -1.11 118.68 128.58 2c9t s LEU 31 Ca 0.23 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.67 2c9t s LEU 31 Cb -0.15 -1.21 -0.02 0.00 0.50 0.00 0.00 46.19 45.31 2c9t s LEU 31 CO 0.09 0.17 -0.01 -0.83 -1.32 0.00 0.00 176.35 174.45 2c9t s GLY 32 N 0.15 0.21 -0.06 7.98 0.00 -0.50 -4.33 107.32 110.77 2c9t s GLY 32 Ca -0.10 -0.51 0.04 0.00 0.00 0.00 0.00 44.72 44.14 2c9t s GLY 32 CO 0.05 -0.59 -0.16 -1.36 0.00 0.00 0.00 173.10 171.04 2c9t s PHE 33 N -1.42 2.66 -0.35 1.90 0.08 -1.26 -1.11 117.98 118.49 2c9t s PHE 33 Ca -0.15 -0.28 0.00 0.00 0.12 0.00 0.00 56.93 56.62 2c9t s PHE 33 Cb -0.09 -1.64 0.09 0.00 -0.57 0.00 0.00 43.02 40.80 2c9t s PHE 33 CO -0.01 0.09 0.08 0.99 -0.10 0.00 0.00 175.22 176.27 2c9t s THR 34 N -0.55 2.79 -0.28 0.64 2.01 -0.91 -1.42 115.64 117.91 2c9t s THR 34 Ca 0.08 -1.96 -0.24 0.00 0.31 0.00 0.00 61.69 59.88 2c9t s THR 34 Cb -0.11 -2.86 -0.00 0.00 0.01 0.00 0.00 72.50 69.53 2c9t s THR 34 CO 0.01 -0.47 0.79 -0.22 -0.69 0.00 0.00 174.62 174.05 2c9t s LEU 35 N 1.09 4.08 -0.19 4.42 2.96 -0.64 -1.25 118.68 129.14 2c9t s LEU 35 Ca 0.04 0.80 0.14 0.00 -0.22 0.00 0.00 54.13 54.89 2c9t s LEU 35 Cb -0.21 -3.10 -0.24 0.00 0.50 0.00 0.00 46.19 43.14 2c9t s LEU 35 CO -0.05 -0.57 0.10 0.00 -1.32 0.00 0.00 176.35 174.52 2c9t n GLN 36 N 6.11 0.68 -3.64 1.98 6.02 0.00 -3.25 117.38 125.28 2c9t n GLN 36 Ca 0.04 0.06 -0.08 0.00 -0.01 0.00 0.00 57.00 57.01 2c9t n GLN 36 Cb 0.48 -1.56 -0.07 0.00 1.02 0.00 0.00 30.24 30.11 2c9t n GLN 36 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2c9t s ASP 37 N -5.76 -0.40 -0.44 1.08 2.15 -0.76 -0.28 116.67 112.26 2c9t s ASP 37 Ca -0.14 0.77 -0.19 0.00 0.43 0.00 0.00 52.55 53.42 2c9t s ASP 37 Cb 0.07 0.80 0.03 0.00 -0.30 0.00 0.00 42.92 43.51 2c9t s ASP 37 CO 0.79 -0.13 0.56 -0.63 -0.17 0.00 0.00 175.17 175.59 2c9t s ILE 38 N 0.25 4.94 -0.07 4.11 1.01 -1.26 -0.55 121.20 129.62 2c9t s ILE 38 Ca 0.03 -0.18 -0.14 0.00 0.00 0.00 0.00 60.65 60.36 2c9t s ILE 38 Cb -0.05 -4.16 -0.29 0.00 0.01 0.00 0.00 42.46 37.97 2c9t s ILE 38 CO -0.08 -0.56 0.64 0.58 0.00 0.00 0.00 174.94 175.51 2c9t h VAL 39 N 5.82 1.04 -2.56 2.92 2.07 -1.37 -3.41 116.25 120.75 2c9t h VAL 39 Ca -0.26 -2.46 -0.10 0.00 0.82 0.00 0.00 66.70 64.70 2c9t h VAL 39 Cb 1.10 2.78 -0.21 0.00 -1.52 0.00 0.00 31.29 33.44 2c9t h VAL 39 CO 0.87 0.77 -0.10 -0.75 0.02 0.00 0.00 177.57 178.37 2c9t s LYS 40 N -2.51 0.71 -0.02 1.57 2.20 -1.22 -4.91 119.74 115.56 2c9t s LYS 40 Ca -0.18 0.35 0.07 0.00 -0.36 0.00 0.00 55.97 55.85 2c9t s LYS 40 Cb 0.04 0.33 -0.02 0.00 -1.51 0.00 0.00 37.83 36.68 2c9t s LYS 40 CO 0.81 -0.16 -0.21 0.08 -0.36 0.00 0.00 175.35 175.51 2c9t s VAL 41 N -0.50 1.67 -0.27 4.02 1.01 -1.26 -1.52 120.40 123.55 2c9t s VAL 41 Ca -0.06 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.01 2c9t s VAL 41 Cb -0.03 -1.39 0.08 0.00 0.00 0.00 0.00 36.38 35.04 2c9t s VAL 41 CO 0.04 0.47 0.03 -0.62 0.00 0.00 0.00 175.10 175.02 2c9t s ASP 42 N -0.51 3.92 0.08 3.32 -1.08 -0.06 -4.98 116.67 117.36 2c9t s ASP 42 Ca 0.08 -1.45 0.23 0.00 -0.52 0.00 0.00 52.55 50.89 2c9t s ASP 42 Cb -0.08 -1.03 0.92 0.00 -1.46 0.00 0.00 42.92 41.26 2c9t s ASP 42 CO -0.01 -0.34 1.71 -1.54 0.52 0.00 0.00 175.17 175.52 2c9t n SER 43 N 4.73 0.25 0.17 -0.34 3.41 -1.26 -1.10 113.62 119.48 2c9t n SER 43 Ca -0.05 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.22 2c9t n SER 43 Cb 0.43 -0.60 0.11 0.00 -0.26 0.00 0.00 64.21 63.90 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 0.00 0.00 0.00 4.04 4.64 -1.96 -3.38 113.55 116.89 2c9t h SER 44 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2c9t h SER 44 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2c9t h SER 44 CO 0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 2c9t n THR 45 N -2.87 0.00 -3.76 2.95 -2.24 -1.20 -5.04 114.28 102.11 2c9t n THR 45 Ca 0.03 -0.42 -0.34 0.00 -2.27 0.00 0.00 64.05 61.05 2c9t n THR 45 Cb 0.53 1.01 0.04 0.00 -2.10 0.00 0.00 70.33 69.81 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 -0.79 -4.80 -4.16 3.42 3.02 -0.25 -4.92 115.26 106.78 2c9t n ASN 46 Ca 0.00 -1.06 -0.30 0.00 -0.03 0.00 0.00 54.58 53.19 2c9t n ASN 46 Cb 0.00 -3.09 -0.17 0.00 -0.61 0.00 0.00 39.78 35.92 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 -6.25 2.64 -0.00 3.52 2.02 -1.08 -1.25 118.70 118.29 2c9t s GLU 47 Ca 0.45 -0.74 0.06 0.00 0.02 0.00 0.00 54.97 54.76 2c9t s GLU 47 Cb -0.18 -2.03 -0.03 0.00 0.10 0.00 0.00 34.13 31.99 2c9t s GLU 47 CO 0.88 0.13 -0.17 0.08 0.02 0.00 0.00 175.26 176.19 2c9t s VAL 48 N 0.46 2.82 -0.21 2.63 1.01 -0.46 -0.88 120.40 125.77 2c9t s VAL 48 Ca -0.17 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.77 2c9t s VAL 48 Cb -0.17 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 2c9t s VAL 48 CO 0.07 0.46 -0.02 -1.81 0.00 0.00 0.00 175.10 173.80 2c9t s ASP 49 N -1.08 4.56 0.12 3.32 1.11 -0.57 -1.13 116.67 123.00 2c9t s ASP 49 Ca 0.13 -0.30 0.09 0.00 0.18 0.00 0.00 52.55 52.65 2c9t s ASP 49 Cb -0.10 -1.78 -0.04 0.00 1.07 0.00 0.00 42.92 42.06 2c9t s ASP 49 CO 0.03 0.02 -0.16 -0.76 1.18 0.00 0.00 175.17 175.48 2c9t s LEU 50 N 1.24 2.78 -0.12 1.23 1.43 -0.07 -0.88 118.68 124.30 2c9t s LEU 50 Ca 0.03 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 2c9t s LEU 50 Cb -0.14 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.50 2c9t s LEU 50 CO -0.00 0.17 -0.14 -0.69 0.23 0.00 0.00 176.35 175.92 2c9t s VAL 51 N -1.23 1.44 0.18 -1.59 1.01 0.29 -1.39 120.40 119.10 2c9t s VAL 51 Ca 0.19 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 2c9t s VAL 51 Cb -0.10 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 2c9t s VAL 51 CO 0.11 0.43 0.24 -0.72 0.00 0.00 0.00 175.10 175.16 2c9t s TYR 52 N 1.25 0.66 -0.19 5.22 -0.85 -1.05 -0.82 117.35 121.58 2c9t s TYR 52 Ca -0.01 -0.99 -0.05 0.00 -0.52 0.00 0.00 57.07 55.50 2c9t s TYR 52 Cb -0.14 -0.21 -0.03 0.00 0.38 0.00 0.00 41.96 41.96 2c9t s TYR 52 CO -0.05 -0.71 -0.01 0.71 -1.52 0.00 0.00 175.55 173.97 2c9t s TYR 53 N -4.04 3.04 -0.41 -3.49 2.02 -0.38 -0.77 117.35 113.32 2c9t s TYR 53 Ca 0.24 -0.40 -0.09 0.00 -0.37 0.00 0.00 57.07 56.45 2c9t s TYR 53 Cb 0.04 -2.05 0.07 0.00 -0.40 0.00 0.00 41.96 39.63 2c9t s TYR 53 CO 0.05 -0.17 0.25 -2.00 -1.57 0.00 0.00 175.55 172.10 2c9t s GLU 54 N 0.79 2.60 -0.16 -0.62 2.12 -0.31 -2.15 118.70 120.98 2c9t s GLU 54 Ca -0.00 -1.43 -0.28 0.00 0.36 0.00 0.00 54.97 53.62 2c9t s GLU 54 Cb -0.14 -3.75 -0.01 0.00 0.26 0.00 0.00 34.13 30.49 2c9t s GLU 54 CO 0.02 -0.93 0.97 -1.14 -0.54 0.00 0.00 175.26 173.64 2c9t s GLN 55 N 1.42 4.34 -0.09 4.30 0.74 -0.26 -3.20 119.66 126.91 2c9t s GLN 55 Ca 0.03 1.28 0.03 0.00 0.05 0.00 0.00 55.36 56.75 2c9t s GLN 55 Cb -0.23 -3.58 0.01 0.00 1.10 0.00 0.00 33.01 30.31 2c9t s GLN 55 CO 0.02 -0.41 -0.19 -0.65 -0.55 0.00 0.00 175.29 173.52 2c9t s GLN 56 N 2.38 2.44 -0.03 1.67 -0.21 -0.08 -1.41 119.66 124.41 2c9t s GLN 56 Ca 0.44 -0.67 0.01 0.00 0.02 0.00 0.00 55.36 55.17 2c9t s GLN 56 Cb -0.17 -1.90 0.02 0.00 1.00 0.00 0.00 33.01 31.96 2c9t s GLN 56 CO 0.13 0.10 -0.03 0.50 -2.12 0.00 0.00 175.29 173.88 2c9t s ARG 57 N 0.50 0.56 0.33 2.91 3.52 -0.27 -1.68 118.95 124.83 2c9t s ARG 57 Ca -0.17 -0.05 -0.05 0.00 -0.13 0.00 0.00 55.73 55.33 2c9t s ARG 57 Cb -0.17 -0.63 0.01 0.00 -1.56 0.00 0.00 34.95 32.60 2c9t s ARG 57 CO 0.06 -0.07 0.50 1.67 -0.81 0.00 0.00 175.30 176.66 2c9t s TRP 58 N 0.76 0.88 -0.03 5.12 -2.14 -1.04 -0.62 118.94 121.88 2c9t s TRP 58 Ca -0.09 -1.17 -0.01 0.00 2.66 0.00 0.00 56.10 57.49 2c9t s TRP 58 Cb -0.12 0.04 0.03 0.00 -3.10 0.00 0.00 33.47 30.32 2c9t s TRP 58 CO -0.01 -1.15 0.05 0.21 -2.66 0.00 0.00 176.95 173.39 2c9t s LYS 59 N -3.12 -0.04 -0.14 3.25 2.20 -1.26 0.03 119.74 120.66 2c9t s LYS 59 Ca 0.28 0.26 -0.00 0.00 -0.36 0.00 0.00 55.97 56.15 2c9t s LYS 59 Cb -0.01 -0.31 -0.01 0.00 -1.51 0.00 0.00 37.83 35.98 2c9t s LYS 59 CO 0.18 -0.21 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.32 2c9t s LEU 60 N 1.40 2.71 0.34 5.43 1.43 0.20 -4.94 118.68 125.24 2c9t s LEU 60 Ca -0.05 -0.34 0.08 0.00 -1.03 0.00 0.00 54.13 52.78 2c9t s LEU 60 Cb -0.13 -1.61 0.77 0.00 0.03 0.00 0.00 46.19 45.25 2c9t s LEU 60 CO -0.03 0.15 1.86 0.78 0.23 0.00 0.00 176.35 179.33 2c9t h ASN 61 N 6.82 0.71 0.33 2.29 2.35 -1.86 -1.33 115.58 124.88 2c9t h ASN 61 Ca -0.27 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 2c9t h ASN 61 Cb 1.21 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.48 2c9t h ASN 61 CO 0.56 0.35 0.00 -1.54 -1.65 0.00 0.00 177.43 175.15 2c9t n SER 62 N -4.58 0.00 -1.29 5.81 3.41 -1.26 -1.98 113.62 113.73 2c9t n SER 62 Ca 0.18 0.19 0.10 0.00 -0.26 0.00 0.00 58.87 59.08 2c9t n SER 62 Cb 0.46 -0.34 0.30 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.34 4.07 -4.85 1.04 4.77 -0.50 -4.98 117.00 115.20 2c9t n LEU 63 Ca 0.06 -2.22 -0.32 0.00 -0.03 0.00 0.00 56.01 53.50 2c9t n LEU 63 Cb 0.13 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.69 2c9t n LEU 63 CO 0.12 0.86 0.44 -0.04 -1.33 0.00 0.00 177.39 177.44 2c9t s MET 64 N -1.40 3.97 0.11 3.23 -1.94 -0.84 -3.72 119.30 118.71 2c9t s MET 64 Ca 0.45 0.66 -0.18 0.00 -1.71 0.00 0.00 55.69 54.91 2c9t s MET 64 Cb 0.26 -2.41 0.04 0.00 2.01 0.00 0.00 34.83 34.74 2c9t s MET 64 CO 0.26 0.11 0.44 1.67 -0.01 0.00 0.00 175.02 177.48 2c9t s TRP 65 N -2.07 -0.28 -0.44 -0.03 -2.14 -0.71 -4.96 118.94 108.30 2c9t s TRP 65 Ca 0.54 0.06 -0.24 0.00 2.66 0.00 0.00 56.10 59.13 2c9t s TRP 65 Cb -0.10 0.30 0.02 0.00 -3.10 0.00 0.00 33.47 30.59 2c9t s TRP 65 CO 0.20 -0.69 0.82 0.34 -2.66 0.00 0.00 176.95 174.96 2c9t s ASP 66 N -2.56 6.45 0.49 -2.66 -1.08 -1.26 -4.67 116.67 111.38 2c9t s ASP 66 Ca 0.00 0.01 0.20 0.00 -0.52 0.00 0.00 52.55 52.25 2c9t s ASP 66 Cb 0.01 -2.40 1.25 0.00 -1.46 0.00 0.00 42.92 40.31 2c9t s ASP 66 CO -0.09 -0.93 1.99 -0.65 0.52 0.00 0.00 175.17 176.01 2c9t h PRO 67 N 8.94 0.15 0.00 4.34 0.11 -1.93 -0.17 132.00 143.44 2c9t h PRO 67 Ca -0.25 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 2c9t h PRO 67 Cb 1.08 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2c9t h PRO 67 CO 0.97 0.10 -0.06 -0.97 -0.21 0.00 0.00 178.00 177.83 2c9t h ASN 68 N 0.16 0.00 0.74 -2.05 -1.24 -1.93 0.64 115.58 111.91 2c9t h ASN 68 Ca 0.26 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.27 2c9t h ASN 68 Cb 0.80 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.85 2c9t h ASN 68 CO -0.04 0.06 -0.31 -0.62 -1.29 0.00 0.00 177.43 175.23 2c9t n GLU 69 N -3.72 0.03 -2.63 6.67 1.02 -0.08 -4.16 120.64 117.77 2c9t n GLU 69 Ca -0.02 0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 57.04 2c9t n GLU 69 Cb 0.16 -1.52 0.03 0.00 -0.02 0.00 0.00 31.44 30.09 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 -1.57 1.65 -2.68 -0.32 4.01 -0.67 -4.98 117.16 112.60 2c9t n TYR 70 Ca 0.06 -2.48 -0.18 0.00 -0.16 0.00 0.00 57.90 55.14 2c9t n TYR 70 Cb 0.35 -0.28 0.02 0.00 -0.31 0.00 0.00 39.34 39.11 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 -0.42 -0.33 2.41 2.72 0.00 -1.15 -2.56 105.19 105.88 2c9t n GLY 71 Ca 0.16 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.62 -5.42 -4.68 1.61 3.02 0.22 -4.96 115.26 103.42 2c9t n ASN 72 Ca -0.14 0.08 -0.42 0.00 -0.03 0.00 0.00 54.58 54.07 2c9t n ASN 72 Cb 0.62 -4.56 -0.03 0.00 -0.61 0.00 0.00 39.78 35.20 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 -2.91 3.45 -0.28 2.41 1.01 -1.06 -4.88 121.20 118.95 2c9t s ILE 73 Ca 0.00 0.78 0.21 0.00 0.00 0.00 0.00 60.65 61.64 2c9t s ILE 73 Cb 0.00 -3.50 -0.30 0.00 0.01 0.00 0.00 42.46 38.67 2c9t s ILE 73 CO 0.00 -0.02 0.57 0.35 0.00 0.00 0.00 174.94 175.84 2c9t n THR 74 N 4.95 0.00 -3.50 2.92 -2.24 -1.26 -4.48 114.28 110.66 2c9t n THR 74 Ca 0.15 -0.36 -0.10 0.00 -2.27 0.00 0.00 64.05 61.47 2c9t n THR 74 Cb 0.42 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 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 -4.05 -0.42 0.22 3.42 -4.77 -1.26 -1.27 116.67 108.54 2c9t s ASP 75 Ca -0.04 0.11 -0.15 0.00 -3.30 0.00 0.00 52.55 49.17 2c9t s ASP 75 Cb 0.14 0.41 0.01 0.00 -1.09 0.00 0.00 42.92 42.40 2c9t s ASP 75 CO 0.87 -0.63 0.51 0.72 0.70 0.00 0.00 175.17 177.35 2c9t s PHE 76 N -2.77 0.10 -0.06 2.11 -0.12 -0.11 -4.99 117.98 112.14 2c9t s PHE 76 Ca 0.02 -0.47 0.03 0.00 -0.05 0.00 0.00 56.93 56.47 2c9t s PHE 76 Cb -0.01 0.32 -0.03 0.00 -0.63 0.00 0.00 43.02 42.67 2c9t s PHE 76 CO -0.07 -0.97 -0.13 1.03 -0.05 0.00 0.00 175.22 175.04 2c9t s ARG 77 N -3.94 2.60 0.00 1.99 0.52 -1.26 -1.13 118.95 117.73 2c9t s ARG 77 Ca 0.15 -0.66 -0.20 0.00 -0.52 0.00 0.00 55.73 54.49 2c9t s ARG 77 Cb -0.01 -2.43 0.04 0.00 0.52 0.00 0.00 34.95 33.07 2c9t s ARG 77 CO 0.03 0.61 0.45 -0.08 0.02 0.00 0.00 175.30 176.33 2c9t s THR 78 N -0.69 0.04 0.14 0.02 -1.32 -0.59 -4.99 115.64 108.25 2c9t s THR 78 Ca 0.11 -0.34 -0.34 0.00 -1.21 0.00 0.00 61.69 59.91 2c9t s THR 78 Cb -0.11 -0.84 -0.16 0.00 -1.51 0.00 0.00 72.50 69.88 2c9t s THR 78 CO 0.01 -0.19 1.20 -0.24 -2.21 0.00 0.00 174.62 173.19 2c9t n SER 79 N 0.87 1.31 -0.12 8.08 2.88 -1.26 -0.72 113.62 124.67 2c9t n SER 79 Ca -0.20 1.14 0.27 0.00 -1.33 0.00 0.00 58.87 58.75 2c9t n SER 79 Cb 0.58 -1.19 0.72 0.00 -0.75 0.00 0.00 64.21 63.57 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 3.64 2.69 0.00 -1.46 0.00 -1.46 -1.65 119.26 121.01 2c9t h ALA 80 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2c9t h ALA 80 Cb 1.35 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2c9t h ALA 80 CO 0.72 -1.02 0.00 0.00 0.00 0.00 0.00 179.25 178.94 2c9t h ALA 81 N 1.50 1.00 0.00 0.00 0.00 -1.89 -3.06 119.26 116.82 2c9t h ALA 81 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2c9t h ALA 81 Cb 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2c9t h ALA 81 CO -0.00 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 178.81 2c9t h ASP 82 N 0.00 0.00 -3.66 0.00 3.32 -1.65 -3.46 116.42 110.97 2c9t h ASP 82 Ca 0.00 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.66 2c9t h ASP 82 Cb 0.51 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.92 2c9t h ASP 82 CO 0.00 0.00 -0.68 0.27 -1.72 0.00 0.00 179.24 177.11 2c9t s ILE 83 N -3.39 1.25 0.30 0.35 -4.36 -1.16 -5.01 121.20 109.19 2c9t s ILE 83 Ca 0.05 -2.08 -0.29 0.00 -0.26 0.00 0.00 60.65 58.07 2c9t s ILE 83 Cb 0.08 -2.21 -0.10 0.00 1.25 0.00 0.00 42.46 41.48 2c9t s ILE 83 CO 0.57 -0.45 1.18 0.86 0.24 0.00 0.00 174.94 177.34 2c9t s TRP 84 N -3.28 3.36 0.05 1.37 -0.00 -1.26 -4.97 118.94 114.21 2c9t s TRP 84 Ca 0.25 1.58 0.05 0.00 -0.00 0.00 0.00 56.10 57.98 2c9t s TRP 84 Cb 0.04 -3.45 -0.02 0.00 -0.00 0.00 0.00 33.47 30.04 2c9t s TRP 84 CO 0.07 -1.09 -0.14 0.95 -0.00 0.00 0.00 176.95 176.74 2c9t s THR 85 N -1.16 1.13 0.48 5.86 -4.23 -1.26 -5.10 115.64 111.36 2c9t s THR 85 Ca 0.46 -1.11 -0.22 0.00 -1.18 0.00 0.00 61.69 59.64 2c9t s THR 85 Cb -0.35 -1.04 -0.07 0.00 1.34 0.00 0.00 72.50 72.37 2c9t s THR 85 CO 0.46 -0.07 1.15 -2.16 -0.54 0.00 0.00 174.62 173.45 2c9t s PRO 86 N -1.35 3.66 -0.71 3.99 0.04 -1.26 -4.94 135.00 134.43 2c9t s PRO 86 Ca 0.01 1.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.71 2c9t s PRO 86 Cb -0.09 -2.28 0.12 0.00 0.04 0.00 0.00 34.50 32.29 2c9t s PRO 86 CO 0.02 -0.62 2.56 -0.40 0.04 0.00 0.00 177.00 178.60 2c9t n ASP 87 N -0.72 6.96 -4.67 6.66 5.75 -1.26 -4.95 116.55 124.32 2c9t n ASP 87 Ca 0.09 -3.29 -0.42 0.00 -0.01 0.00 0.00 54.79 51.15 2c9t n ASP 87 Cb 0.49 -1.24 -0.03 0.00 -1.03 0.00 0.00 41.12 39.32 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 -2.45 4.00 -0.00 2.12 -1.09 -1.26 -2.80 121.20 119.73 2c9t s ILE 88 Ca 0.56 1.28 0.04 0.00 -2.23 0.00 0.00 60.65 60.30 2c9t s ILE 88 Cb 0.34 -3.82 -0.01 0.00 -1.58 0.00 0.00 42.46 37.38 2c9t s ILE 88 CO -0.22 -0.07 -0.12 -0.89 -1.23 0.00 0.00 174.94 172.42 2c9t s THR 89 N 3.13 0.94 0.10 2.92 2.01 0.21 -4.89 115.64 120.06 2c9t s THR 89 Ca 0.61 -0.57 -0.31 0.00 0.31 0.00 0.00 61.69 61.74 2c9t s THR 89 Cb -0.27 -0.80 -0.07 0.00 0.01 0.00 0.00 72.50 71.38 2c9t s THR 89 CO 0.22 0.23 1.25 0.00 -0.69 0.00 0.00 174.62 175.62 2c9t s ALA 90 N -0.35 3.45 -0.92 7.40 0.00 -1.26 -1.21 121.76 128.87 2c9t s ALA 90 Ca 0.04 0.93 0.27 0.00 0.00 0.00 0.00 51.96 53.20 2c9t s ALA 90 Cb -0.05 -3.46 0.87 0.00 0.00 0.00 0.00 23.12 20.48 2c9t s ALA 90 CO -0.00 -0.47 1.70 0.66 0.00 0.00 0.00 175.76 177.65 2c9t n TYR 91 N 3.69 0.21 -2.21 0.00 4.01 0.55 -4.13 117.16 119.28 2c9t n TYR 91 Ca 0.09 0.06 0.05 0.00 -0.16 0.00 0.00 57.90 57.94 2c9t n TYR 91 Cb 0.45 -0.52 0.08 0.00 -0.31 0.00 0.00 39.34 39.04 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 -1.69 1.22 -4.67 7.72 3.41 -1.26 -5.02 113.62 113.33 2c9t n SER 92 Ca 0.06 -2.61 -0.35 0.00 -0.26 0.00 0.00 58.87 55.71 2c9t n SER 92 Cb 0.36 -0.37 0.09 0.00 -0.26 0.00 0.00 64.21 64.04 2c9t n SER 92 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2c9t n SER 93 N -0.02 1.08 -0.06 4.04 3.41 -1.26 -1.64 113.62 119.17 2c9t n SER 93 Ca 0.10 0.69 0.02 0.00 -0.26 0.00 0.00 58.87 59.42 2c9t n SER 93 Cb 1.00 -1.48 -0.01 0.00 -0.26 0.00 0.00 64.21 63.46 2c9t n SER 93 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2c9t n THR 94 N -2.57 0.00 -3.83 6.66 -2.24 0.81 -4.83 114.28 108.28 2c9t n THR 94 Ca 0.14 -0.44 -0.11 0.00 -2.27 0.00 0.00 64.05 61.37 2c9t n THR 94 Cb 0.49 1.03 -0.09 0.00 -2.10 0.00 0.00 70.33 69.66 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 -1.02 0.62 0.23 -0.78 1.81 -1.25 -5.06 118.95 113.50 2c9t s ARG 95 Ca 0.03 -0.46 -0.32 0.00 -1.72 0.00 0.00 55.73 53.26 2c9t s ARG 95 Cb 0.03 0.26 -0.13 0.00 -0.45 0.00 0.00 34.95 34.66 2c9t s ARG 95 CO 0.12 -0.17 1.54 -2.30 -0.68 0.00 0.00 175.30 173.81 2c9t n PRO 96 N 1.06 2.31 -1.71 3.54 -0.02 -1.26 -4.65 135.00 134.28 2c9t n PRO 96 Ca -0.21 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 2c9t n PRO 96 Cb 0.57 -2.57 -0.00 0.00 -0.02 0.00 0.00 33.50 31.48 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 2.63 2.10 -4.08 -1.45 0.31 -1.26 -4.88 118.33 111.70 2c9t n VAL 97 Ca 0.13 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.61 2c9t n VAL 97 Cb 0.32 -1.63 -0.11 0.00 -0.91 0.00 0.00 33.84 31.51 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 -1.97 3.76 -0.03 5.55 -0.21 -0.64 -4.96 119.66 121.16 2c9t s GLN 98 Ca 0.56 -0.45 -0.21 0.00 0.02 0.00 0.00 55.36 55.28 2c9t s GLN 98 Cb -0.54 -3.13 -0.05 0.00 1.00 0.00 0.00 33.01 30.29 2c9t s GLN 98 CO 0.62 0.12 0.60 0.08 -2.12 0.00 0.00 175.29 174.58 2c9t s VAL 99 N 0.75 4.97 -0.54 1.09 1.01 -1.26 0.06 120.40 126.47 2c9t s VAL 99 Ca 0.01 1.24 0.07 0.00 0.00 0.00 0.00 61.98 63.31 2c9t s VAL 99 Cb -0.14 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 2c9t s VAL 99 CO 0.02 0.38 0.44 0.18 0.00 0.00 0.00 175.10 176.12 2c9t n LEU 100 N 3.02 0.75 -4.33 3.92 4.77 0.65 -4.94 117.00 120.84 2c9t n LEU 100 Ca -0.06 -0.65 -0.18 0.00 -0.03 0.00 0.00 56.01 55.09 2c9t n LEU 100 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 2c9t n LEU 100 CO 0.44 0.16 -0.42 -0.94 -1.33 0.00 0.00 177.39 175.30 2c9t s SER 101 N -1.37 2.40 0.32 -1.43 1.04 -1.24 -4.93 113.70 108.49 2c9t s SER 101 Ca 0.05 -1.04 -0.29 0.00 0.48 0.00 0.00 55.95 55.14 2c9t s SER 101 Cb 0.06 -0.11 -0.12 0.00 0.10 0.00 0.00 66.02 65.95 2c9t s SER 101 CO 0.23 -0.23 1.47 -2.65 0.98 0.00 0.00 173.24 173.04 2c9t n PRO 102 N -0.36 2.48 -2.96 4.02 -0.02 -1.26 -4.86 135.00 132.03 2c9t n PRO 102 Ca -0.08 0.88 -0.44 0.00 -2.02 0.00 0.00 63.50 61.83 2c9t n PRO 102 Cb 0.61 -2.58 -0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 -1.22 4.05 -0.03 -0.52 -1.52 -1.26 -4.90 119.66 114.26 2c9t s GLN 103 Ca 0.60 -2.53 0.01 0.00 -1.95 0.00 0.00 55.36 51.48 2c9t s GLN 103 Cb -0.53 -5.03 0.02 0.00 -0.22 0.00 0.00 33.01 27.25 2c9t s GLN 103 CO 0.56 -1.75 -0.01 0.42 -0.25 0.00 0.00 175.29 174.26 2c9t s ILE 104 N 1.57 0.24 0.31 1.08 1.01 -1.26 -1.16 121.20 122.99 2c9t s ILE 104 Ca 0.41 0.01 0.09 0.00 0.00 0.00 0.00 60.65 61.16 2c9t s ILE 104 Cb -0.03 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 42.09 2c9t s ILE 104 CO -0.01 0.14 0.07 0.00 0.00 0.00 0.00 174.94 175.14 2c9t s ALA 105 N 0.76 3.33 -0.19 9.38 0.00 0.11 -4.56 121.76 130.59 2c9t s ALA 105 Ca -0.08 -1.78 -0.03 0.00 0.00 0.00 0.00 51.96 50.07 2c9t s ALA 105 Cb -0.11 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 2c9t s ALA 105 CO -0.01 0.13 -0.05 0.08 0.00 0.00 0.00 175.76 175.91 2c9t s VAL 106 N -2.40 3.49 -0.14 0.00 1.01 0.80 -1.54 120.40 121.61 2c9t s VAL 106 Ca 0.35 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 2c9t s VAL 106 Cb -0.04 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 2c9t s VAL 106 CO 0.21 0.45 -0.07 -0.69 0.00 0.00 0.00 175.10 175.00 2c9t s VAL 107 N 1.03 3.60 0.25 2.92 1.01 -0.28 0.07 120.40 128.99 2c9t s VAL 107 Ca 0.01 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.61 2c9t s VAL 107 Cb -0.15 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2c9t s VAL 107 CO 0.00 0.51 0.01 0.42 0.00 0.00 0.00 175.10 176.04 2c9t s THR 108 N 0.31 3.56 0.57 3.92 -4.23 -0.27 -0.93 115.64 118.56 2c9t s THR 108 Ca -0.06 -1.79 0.42 0.00 -1.18 0.00 0.00 61.69 59.08 2c9t s THR 108 Cb -0.15 -2.88 0.43 0.00 1.34 0.00 0.00 72.50 71.24 2c9t s THR 108 CO 0.04 -0.32 2.30 1.12 -0.54 0.00 0.00 174.62 177.22 2c9t h HIS 109 N 2.01 0.00 -0.02 3.99 2.07 -1.49 0.29 115.15 122.00 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 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 2c9t h HIS 109 CO 0.66 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.13 2c9t n ASP 110 N -3.15 0.28 0.00 3.10 5.75 -1.26 -1.74 116.55 119.52 2c9t n ASP 110 Ca -0.02 -1.41 0.00 0.00 -0.01 0.00 0.00 54.79 53.34 2c9t n ASP 110 Cb 0.11 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 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 0.88 0.74 3.80 6.12 0.00 0.10 -4.68 105.19 112.15 2c9t n GLY 111 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 2c9t n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2c9t s SER 112 N -2.15 7.19 -0.07 1.61 1.04 -1.21 -0.63 113.70 119.49 2c9t s SER 112 Ca 0.00 1.55 0.06 0.00 0.48 0.00 0.00 55.95 58.04 2c9t s SER 112 Cb 0.00 -2.47 -0.01 0.00 0.10 0.00 0.00 66.02 63.64 2c9t s SER 112 CO 0.00 0.06 -0.25 -0.69 0.98 0.00 0.00 173.24 173.35 2c9t s VAL 113 N -1.44 2.07 -0.09 5.02 1.01 0.10 -1.12 120.40 125.96 2c9t s VAL 113 Ca 0.42 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 61.40 2c9t s VAL 113 Cb -0.19 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 2c9t s VAL 113 CO 0.23 0.57 -0.24 -0.32 0.00 0.00 0.00 175.10 175.34 2c9t s MET 114 N -0.06 2.90 -0.06 2.72 1.75 0.11 -2.48 119.30 124.18 2c9t s MET 114 Ca -0.07 -0.87 0.00 0.00 -1.25 0.00 0.00 55.69 53.50 2c9t s MET 114 Cb -0.15 -2.28 0.02 0.00 2.84 0.00 0.00 34.83 35.27 2c9t s MET 114 CO 0.05 0.25 -0.04 0.12 -0.65 0.00 0.00 175.02 174.75 2c9t s PHE 115 N 0.16 0.84 -0.53 4.11 5.36 -0.68 -0.14 117.98 127.10 2c9t s PHE 115 Ca -0.13 -0.27 0.05 0.00 -0.96 0.00 0.00 56.93 55.62 2c9t s PHE 115 Cb -0.16 -0.78 0.20 0.00 -0.34 0.00 0.00 43.02 41.93 2c9t s PHE 115 CO 0.07 -0.27 0.48 -0.89 -1.46 0.00 0.00 175.22 173.16 2c9t n ILE 116 N 4.44 0.30 -2.16 3.12 5.41 -1.26 -0.91 119.36 128.31 2c9t n ILE 116 Ca -0.18 -4.25 -0.43 0.00 1.00 0.00 0.00 62.75 58.89 2c9t n ILE 116 Cb 0.51 -1.94 -0.02 0.00 -0.71 0.00 0.00 39.64 37.47 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 -1.03 4.17 0.12 0.38 0.04 -1.20 -4.73 135.00 132.75 2c9t s PRO 117 Ca 0.32 1.96 -0.30 0.00 0.04 0.00 0.00 61.00 63.02 2c9t s PRO 117 Cb 0.06 -3.91 -0.07 0.00 0.04 0.00 0.00 34.50 30.61 2c9t s PRO 117 CO -0.15 -0.84 1.18 0.00 0.04 0.00 0.00 177.00 177.24 2c9t s ALA 118 N 3.95 3.40 0.02 8.56 0.00 -1.26 -1.16 121.76 135.28 2c9t s ALA 118 Ca 0.67 0.88 0.01 0.00 0.00 0.00 0.00 51.96 53.52 2c9t s ALA 118 Cb -0.29 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.40 2c9t s ALA 118 CO 0.24 -0.38 -0.06 -0.65 0.00 0.00 0.00 175.76 174.92 2c9t s GLN 119 N 0.43 0.41 -0.24 0.00 -0.21 0.05 -0.25 119.66 119.86 2c9t s GLN 119 Ca 0.55 -0.51 -0.08 0.00 0.02 0.00 0.00 55.36 55.34 2c9t s GLN 119 Cb -0.30 -0.23 -0.04 0.00 1.00 0.00 0.00 33.01 33.44 2c9t s GLN 119 CO 0.32 0.05 0.09 0.50 -2.12 0.00 0.00 175.29 174.13 2c9t s ARG 120 N -1.03 3.79 -0.13 2.91 3.52 0.11 -2.52 118.95 125.60 2c9t s ARG 120 Ca -0.07 -0.41 0.02 0.00 -0.13 0.00 0.00 55.73 55.14 2c9t s ARG 120 Cb -0.07 -3.35 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 2c9t s ARG 120 CO -0.00 -0.06 -0.20 -1.17 -0.81 0.00 0.00 175.30 173.06 2c9t s LEU 121 N 1.30 2.28 -0.29 -0.88 2.96 -0.49 -1.62 118.68 121.93 2c9t s LEU 121 Ca 0.05 -0.52 -0.12 0.00 -0.22 0.00 0.00 54.13 53.33 2c9t s LEU 121 Cb -0.15 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 2c9t s LEU 121 CO 0.04 0.12 0.21 -0.44 -1.32 0.00 0.00 176.35 174.96 2c9t s SER 122 N 0.59 6.03 0.25 3.68 0.01 -1.26 -0.89 113.70 122.12 2c9t s SER 122 Ca -0.11 -0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.07 2c9t s SER 122 Cb -0.16 -2.13 -0.05 0.00 0.21 0.00 0.00 66.02 63.89 2c9t s SER 122 CO 0.03 -0.10 0.04 0.72 0.41 0.00 0.00 173.24 174.34 2c9t s PHE 123 N 1.76 1.61 -0.21 2.43 -0.12 -0.29 -0.13 117.98 123.03 2c9t s PHE 123 Ca 0.07 -1.01 -0.29 0.00 -0.05 0.00 0.00 56.93 55.65 2c9t s PHE 123 Cb -0.16 -0.96 -0.01 0.00 -0.63 0.00 0.00 43.02 41.25 2c9t s PHE 123 CO 0.11 -0.13 1.33 -1.64 -0.05 0.00 0.00 175.22 174.85 2c9t s MET 124 N -3.92 4.07 -0.30 1.99 -1.94 -0.65 -1.35 119.30 117.19 2c9t s MET 124 Ca 0.32 1.54 -0.10 0.00 -1.71 0.00 0.00 55.69 55.74 2c9t s MET 124 Cb 0.07 -3.85 0.15 0.00 2.01 0.00 0.00 34.83 33.21 2c9t s MET 124 CO 0.11 -0.93 0.71 0.00 -0.01 0.00 0.00 175.02 174.91 2c9t s ASP 126 N 2.82 6.55 0.00 0.00 2.15 -1.26 -3.27 116.67 123.65 2c9t s ASP 126 Ca -0.01 0.57 0.21 0.00 0.43 0.00 0.00 52.55 53.74 2c9t s ASP 126 Cb -0.11 -2.55 0.80 0.00 -0.30 0.00 0.00 42.92 40.76 2c9t s ASP 126 CO -0.19 -1.30 1.57 -0.81 -0.17 0.00 0.00 175.17 174.27 2c9t n PRO 127 N 7.91 1.64 -1.64 4.34 -0.04 -1.26 -4.87 135.00 141.08 2c9t n PRO 127 Ca 0.13 -0.96 -0.59 0.00 -0.04 0.00 0.00 63.50 62.04 2c9t n PRO 127 Cb 0.49 -1.38 -0.08 0.00 -0.04 0.00 0.00 33.50 32.49 2c9t n PRO 127 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2c9t n THR 128 N 0.18 0.08 -0.20 0.52 -1.04 -1.26 -0.90 114.28 111.67 2c9t n THR 128 Ca 0.16 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 2c9t n THR 128 Cb 0.30 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 2c9t n THR 128 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2c9t n GLY 129 N 3.07 0.64 0.27 3.41 0.00 -1.26 -4.83 105.19 106.49 2c9t n GLY 129 Ca 0.24 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.38 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 0.65 -0.05 1.61 3.04 -1.25 -2.34 116.25 117.90 2c9t h VAL 130 Ca 0.00 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 2c9t h VAL 130 Cb 0.00 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 2c9t h VAL 130 CO 0.00 0.07 0.00 -0.90 -1.01 0.00 0.00 177.57 175.73 2c9t n ASP 131 N -3.86 0.75 -4.96 3.17 5.75 -1.26 -1.00 116.55 115.13 2c9t n ASP 131 Ca -0.02 -1.45 -0.19 0.00 -0.01 0.00 0.00 54.79 53.11 2c9t n ASP 131 Cb 0.17 -0.03 -0.01 0.00 -1.03 0.00 0.00 41.12 40.21 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 -1.71 5.86 0.52 -1.12 1.04 -0.88 -4.92 113.70 112.48 2c9t s SER 132 Ca 0.34 -0.24 0.20 0.00 0.48 0.00 0.00 55.95 56.73 2c9t s SER 132 Cb 0.17 -1.21 1.34 0.00 0.10 0.00 0.00 66.02 66.42 2c9t s SER 132 CO 0.27 -0.40 2.13 -0.08 0.98 0.00 0.00 173.24 176.14 2c9t h GLU 133 N 0.97 0.00 0.00 4.02 4.81 -1.90 -2.42 114.58 120.06 2c9t h GLU 133 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2c9t h GLU 133 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2c9t h GLU 133 CO 0.54 0.06 0.00 0.93 -0.73 0.00 0.00 179.01 179.81 2c9t h GLU 134 N 0.00 0.00 0.00 1.92 3.07 -1.94 -3.49 114.58 114.13 2c9t h GLU 134 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2c9t h GLU 134 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 2c9t h GLU 134 CO 0.01 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.03 2c9t n GLY 135 N 1.07 0.71 3.05 -3.84 0.00 -0.91 -4.90 105.19 100.37 2c9t n GLY 135 Ca 0.04 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 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 0.11 -0.13 1.61 0.11 0.83 -4.53 120.40 118.40 2c9t s VAL 136 Ca 0.00 -0.95 -0.00 0.00 -2.93 0.00 0.00 61.98 58.10 2c9t s VAL 136 Cb 0.00 -0.50 -0.01 0.00 -1.53 0.00 0.00 36.38 34.33 2c9t s VAL 136 CO 0.00 -0.52 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.23 2c9t s THR 137 N -1.81 3.00 0.27 5.04 2.01 -1.26 -0.28 115.64 122.60 2c9t s THR 137 Ca -0.12 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.26 2c9t s THR 137 Cb -0.07 -2.26 -0.06 0.00 0.01 0.00 0.00 72.50 70.13 2c9t s THR 137 CO -0.02 0.52 -0.04 0.00 -0.69 0.00 0.00 174.62 174.39 2c9t s ALA 139 N -3.12 -0.53 -0.06 0.00 0.00 -1.26 -0.93 121.76 115.86 2c9t s ALA 139 Ca 0.29 0.43 -0.02 0.00 0.00 0.00 0.00 51.96 52.66 2c9t s ALA 139 Cb 0.04 -0.22 0.04 0.00 0.00 0.00 0.00 23.12 22.99 2c9t s ALA 139 CO 0.11 -0.15 0.12 0.54 0.00 0.00 0.00 175.76 176.39 2c9t s VAL 140 N -0.37 -0.07 0.12 0.00 0.11 -0.35 -4.88 120.40 114.96 2c9t s VAL 140 Ca -0.05 0.21 -0.25 0.00 -2.93 0.00 0.00 61.98 58.96 2c9t s VAL 140 Cb -0.03 -0.21 -0.07 0.00 -1.53 0.00 0.00 36.38 34.54 2c9t s VAL 140 CO 0.01 0.08 0.77 -0.54 -3.33 0.00 0.00 175.10 172.09 2c9t s LYS 141 N 1.25 4.53 -0.03 1.54 1.02 -1.26 -0.76 119.74 126.03 2c9t s LYS 141 Ca -0.08 1.12 0.07 0.00 0.02 0.00 0.00 55.97 57.10 2c9t s LYS 141 Cb -0.12 -3.30 -0.02 0.00 -0.52 0.00 0.00 37.83 33.88 2c9t s LYS 141 CO -0.05 0.48 -0.25 -0.06 -0.92 0.00 0.00 175.35 174.54 2c9t s PHE 142 N -0.77 2.32 0.04 3.18 0.08 0.63 -0.33 117.98 123.12 2c9t s PHE 142 Ca 0.37 -0.52 -0.10 0.00 0.12 0.00 0.00 56.93 56.80 2c9t s PHE 142 Cb -0.22 -1.50 0.03 0.00 -0.57 0.00 0.00 43.02 40.76 2c9t s PHE 142 CO 0.25 -0.10 0.45 0.41 -0.10 0.00 0.00 175.22 176.13 2c9t n GLY 143 N 2.62 0.81 3.77 4.36 0.00 -0.35 -0.85 105.19 115.55 2c9t n GLY 143 Ca -0.16 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 2c9t n GLY 143 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2c9t s SER 144 N -2.02 6.50 0.07 1.61 0.15 -1.26 0.66 113.70 119.40 2c9t s SER 144 Ca 0.10 2.65 -0.12 0.00 0.70 0.00 0.00 55.95 59.28 2c9t s SER 144 Cb -0.01 -2.64 -0.26 0.00 -1.71 0.00 0.00 66.02 61.40 2c9t s SER 144 CO 0.01 -0.72 1.14 -0.25 1.20 0.00 0.00 173.24 174.62 2c9t h TRP 145 N 2.94 0.88 0.00 3.44 2.91 -1.87 -3.41 115.95 120.84 2c9t h TRP 145 Ca -0.49 -0.56 0.00 0.00 1.13 0.00 0.00 58.89 58.97 2c9t h TRP 145 Cb 1.24 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 29.82 2c9t h TRP 145 CO 0.54 1.40 -0.91 1.33 -1.03 0.00 0.00 178.44 179.78 2c9t n VAL 146 N -3.74 0.00 -3.84 2.65 0.24 -1.26 -5.01 118.33 107.37 2c9t n VAL 146 Ca -0.12 -0.16 -0.35 0.00 -2.04 0.00 0.00 64.34 61.67 2c9t n VAL 146 Cb 0.97 0.57 -0.09 0.00 -1.47 0.00 0.00 33.84 33.82 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 -2.00 3.32 0.98 6.34 2.02 -1.26 -5.10 117.35 121.65 2c9t s TYR 147 Ca -0.01 0.18 -0.15 0.00 -0.37 0.00 0.00 57.07 56.72 2c9t s TYR 147 Cb 0.02 -2.14 0.19 0.00 -0.40 0.00 0.00 41.96 39.63 2c9t s TYR 147 CO 0.14 0.18 1.22 -1.54 -1.57 0.00 0.00 175.55 173.98 2c9t s SER 148 N 0.50 2.90 0.59 2.29 1.04 -1.26 -4.66 113.70 115.10 2c9t s SER 148 Ca 0.06 0.56 0.33 0.00 0.48 0.00 0.00 55.95 57.37 2c9t s SER 148 Cb -0.12 -0.81 1.79 0.00 0.10 0.00 0.00 66.02 66.98 2c9t s SER 148 CO 0.00 -2.89 2.00 1.23 0.98 0.00 0.00 173.24 174.56 2c9t h GLY 149 N -1.74 0.00 2.00 7.32 0.00 -0.87 0.10 103.07 109.88 2c9t h GLY 149 Ca -0.46 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 2c9t h GLY 149 CO 0.46 0.00 -0.06 0.74 0.00 0.00 0.00 176.54 177.68 2c9t h PHE 150 N 0.00 0.00 0.00 5.60 0.04 -1.92 -3.38 116.94 117.28 2c9t h PHE 150 Ca 0.00 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.57 2c9t h PHE 150 Cb 0.33 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.45 2c9t h PHE 150 CO 0.00 0.06 -1.70 0.39 -0.60 0.00 0.00 178.31 176.46 2c9t n GLU 151 N -3.15 0.28 -4.01 1.51 4.71 -0.47 -4.11 120.64 115.40 2c9t n GLU 151 Ca 0.02 0.10 -0.30 0.00 -0.01 0.00 0.00 57.16 56.97 2c9t n GLU 151 Cb 0.41 -1.03 -0.16 0.00 -1.01 0.00 0.00 31.44 29.64 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 -2.23 1.55 -0.14 -3.67 1.01 0.23 -0.94 121.20 117.01 2c9t s ILE 152 Ca -0.17 -0.65 -0.10 0.00 0.00 0.00 0.00 60.65 59.73 2c9t s ILE 152 Cb 0.06 -1.48 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 2c9t s ILE 152 CO 0.24 0.43 0.20 -0.62 0.00 0.00 0.00 174.94 175.19 2c9t s ASP 153 N 1.49 6.40 0.15 3.58 2.15 -0.38 -3.63 116.67 126.42 2c9t s ASP 153 Ca 0.04 0.46 -0.02 0.00 0.43 0.00 0.00 52.55 53.47 2c9t s ASP 153 Cb -0.13 -2.12 -0.05 0.00 -0.30 0.00 0.00 42.92 40.32 2c9t s ASP 153 CO -0.10 0.26 0.34 -0.76 -0.17 0.00 0.00 175.17 174.74 2c9t s LEU 154 N -0.29 4.28 0.04 -1.34 1.43 -1.26 -0.46 118.68 121.08 2c9t s LEU 154 Ca 0.14 0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 53.61 2c9t s LEU 154 Cb -0.12 -3.15 -0.01 0.00 0.03 0.00 0.00 46.19 42.93 2c9t s LEU 154 CO 0.03 0.04 0.10 -0.75 0.23 0.00 0.00 176.35 176.00 2c9t s LYS 155 N -2.91 0.61 0.08 1.70 2.20 -0.07 -4.91 119.74 116.44 2c9t s LYS 155 Ca 0.38 -0.79 0.10 0.00 -0.36 0.00 0.00 55.97 55.30 2c9t s LYS 155 Cb -0.12 0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 36.41 2c9t s LYS 155 CO 0.27 -0.15 -0.27 0.95 -0.36 0.00 0.00 175.35 175.79 2c9t s THR 156 N -2.76 2.19 -0.29 3.43 -4.23 -1.26 -0.38 115.64 112.35 2c9t s THR 156 Ca -0.04 -1.53 0.21 0.00 -1.18 0.00 0.00 61.69 59.15 2c9t s THR 156 Cb -0.00 -1.90 0.25 0.00 1.34 0.00 0.00 72.50 72.19 2c9t s THR 156 CO -0.05 0.26 1.59 0.44 -0.54 0.00 0.00 174.62 176.32 2c9t h ASP 157 N 4.44 0.00 -5.06 3.99 3.32 -1.97 -3.46 116.42 117.67 2c9t h ASP 157 Ca -0.48 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.47 2c9t h ASP 157 Cb 1.15 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.53 2c9t h ASP 157 CO 0.42 0.17 -0.30 0.28 -1.72 0.00 0.00 179.24 178.09 2c9t s THR 158 N -3.18 0.09 -1.49 0.35 -1.32 -1.26 -5.03 115.64 103.80 2c9t s THR 158 Ca 0.05 -0.75 0.29 0.00 -1.21 0.00 0.00 61.69 60.07 2c9t s THR 158 Cb 0.06 -0.93 0.46 0.00 -1.51 0.00 0.00 72.50 70.58 2c9t s THR 158 CO 0.68 -0.41 1.93 0.47 -2.21 0.00 0.00 174.62 175.08 2c9t n ASP 159 N 0.61 0.24 -4.56 8.08 9.92 -1.26 -4.76 116.55 124.82 2c9t n ASP 159 Ca -0.19 -0.32 -0.40 0.00 -0.53 0.00 0.00 54.79 53.35 2c9t n ASP 159 Cb 0.59 -0.17 -0.09 0.00 -0.64 0.00 0.00 41.12 40.81 2c9t n ASP 159 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 2c9t s GLN 160 N -2.56 3.67 0.28 -1.24 2.00 -1.26 -0.61 119.66 119.93 2c9t s GLN 160 Ca 0.27 -0.29 -0.30 0.00 -2.00 0.00 0.00 55.36 53.04 2c9t s GLN 160 Cb 0.20 -3.77 -0.11 0.00 0.80 0.00 0.00 33.01 30.12 2c9t s GLN 160 CO 0.48 -0.49 1.62 0.08 -0.50 0.00 0.00 175.29 176.48 2c9t s VAL 161 N 2.08 2.03 -0.26 1.34 1.01 -0.85 -4.86 120.40 120.91 2c9t s VAL 161 Ca 0.13 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 2c9t s VAL 161 Cb -0.16 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 2c9t s VAL 161 CO 0.12 0.00 1.41 -0.62 0.00 0.00 0.00 175.10 176.01 2c9t s ASP 162 N 0.62 6.60 0.00 3.32 2.15 -0.51 -4.86 116.67 123.99 2c9t s ASP 162 Ca 0.65 1.40 0.09 0.00 0.43 0.00 0.00 52.55 55.12 2c9t s ASP 162 Cb -0.48 -2.54 0.22 0.00 -0.30 0.00 0.00 42.92 39.82 2c9t s ASP 162 CO 0.45 -1.11 1.15 0.18 -0.17 0.00 0.00 175.17 175.68 2c9t n LEU 163 N 7.79 2.62 0.19 -1.34 4.77 -1.26 -1.62 117.00 128.15 2c9t n LEU 163 Ca 0.16 -1.86 0.14 0.00 -0.03 0.00 0.00 56.01 54.41 2c9t n LEU 163 Cb 0.46 -0.16 0.65 0.00 -2.33 0.00 0.00 43.42 42.04 2c9t n LEU 163 CO 0.63 0.64 0.91 0.77 -1.33 0.00 0.00 177.39 179.01 2c9t h SER 164 N 1.66 0.00 -0.20 -1.43 4.64 -1.89 -1.18 113.55 115.15 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 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2c9t h SER 164 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 2c9t n SER 165 N -2.46 2.50 -4.75 4.97 7.64 -1.26 -5.03 113.62 115.22 2c9t n SER 165 Ca -0.00 -1.92 -0.42 0.00 1.01 0.00 0.00 58.87 57.54 2c9t n SER 165 Cb 0.14 -0.13 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 2c9t n SER 165 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2c9t n TYR 166 N 0.19 2.83 -1.98 1.43 9.36 -0.45 -4.64 117.16 123.90 2c9t n TYR 166 Ca 0.07 0.36 -0.42 0.00 3.32 0.00 0.00 57.90 61.23 2c9t n TYR 166 Cb 0.35 -2.55 -0.03 0.00 -0.63 0.00 0.00 39.34 36.48 2c9t n TYR 166 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 2c9t s TYR 167 N -0.53 1.91 -0.18 2.98 5.04 0.62 -4.88 117.35 122.31 2c9t s TYR 167 Ca 0.59 0.20 0.29 0.00 -2.44 0.00 0.00 57.07 55.71 2c9t s TYR 167 Cb -0.50 -3.95 1.07 0.00 0.35 0.00 0.00 41.96 38.93 2c9t s TYR 167 CO 0.56 -3.88 1.85 0.00 -1.34 0.00 0.00 175.55 172.74 2c9t h ALA 168 N 9.98 1.00 -0.30 3.97 0.00 -1.90 -2.38 119.26 129.63 2c9t h ALA 168 Ca -0.39 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 2c9t h ALA 168 Cb 1.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2c9t h ALA 168 CO 0.96 0.00 0.01 0.43 0.00 0.00 0.00 179.25 180.65 2c9t n SER 169 N -2.85 3.85 -4.57 0.00 7.64 -1.26 -5.03 113.62 111.41 2c9t n SER 169 Ca 0.02 -3.10 -0.38 0.00 1.01 0.00 0.00 58.87 56.42 2c9t n SER 169 Cb 0.34 -0.57 0.05 0.00 -1.01 0.00 0.00 64.21 63.02 2c9t n SER 169 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2c9t n SER 170 N -0.52 0.19 0.32 6.43 2.88 -0.90 -4.88 113.62 117.14 2c9t n SER 170 Ca 0.24 0.78 0.21 0.00 -1.33 0.00 0.00 58.87 58.77 2c9t n SER 170 Cb 0.94 -1.32 1.10 0.00 -0.75 0.00 0.00 64.21 64.18 2c9t n SER 170 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2c9t h LYS 171 N 0.38 0.00 -4.66 -1.46 1.79 -1.84 -3.43 116.57 107.34 2c9t h LYS 171 Ca -0.48 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.42 2c9t h LYS 171 Cb 1.38 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 31.68 2c9t h LYS 171 CO 0.49 0.00 -0.83 0.71 -1.08 0.00 0.00 179.45 178.75 2c9t s TYR 172 N -4.03 1.90 0.20 -1.35 2.02 -1.26 -1.56 117.35 113.28 2c9t s TYR 172 Ca -0.04 -0.92 -0.13 0.00 -0.37 0.00 0.00 57.07 55.61 2c9t s TYR 172 Cb 0.12 -1.40 -0.07 0.00 -0.40 0.00 0.00 41.96 40.21 2c9t s TYR 172 CO 0.42 -0.49 0.59 -1.83 -1.57 0.00 0.00 175.55 172.67 2c9t s GLU 173 N 1.12 3.96 -0.20 -0.62 -1.05 0.13 -4.78 118.70 117.24 2c9t s GLU 173 Ca -0.04 0.49 -0.16 0.00 -0.15 0.00 0.00 54.97 55.10 2c9t s GLU 173 Cb -0.14 -2.77 -0.04 0.00 -0.44 0.00 0.00 34.13 30.74 2c9t s GLU 173 CO -0.03 0.37 0.42 0.42 0.95 0.00 0.00 175.26 177.39 2c9t s ILE 174 N -1.65 5.18 -0.16 1.83 -1.09 -1.26 -1.60 121.20 122.44 2c9t s ILE 174 Ca 0.44 0.75 -0.07 0.00 -2.23 0.00 0.00 60.65 59.53 2c9t s ILE 174 Cb -0.13 -3.75 -0.23 0.00 -1.58 0.00 0.00 42.46 36.77 2c9t s ILE 174 CO 0.20 0.23 0.22 0.18 -1.23 0.00 0.00 174.94 174.54 2c9t n LEU 175 N 4.57 2.58 -3.48 2.97 4.77 0.17 -4.98 117.00 123.60 2c9t n LEU 175 Ca -0.08 0.18 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 2c9t n LEU 175 Cb 0.51 -1.06 -0.03 0.00 -2.33 0.00 0.00 43.42 40.52 2c9t n LEU 175 CO 0.40 0.79 0.33 -0.94 -1.33 0.00 0.00 177.39 176.64 2c9t s SER 176 N -6.95 -0.47 -0.23 -1.43 1.04 -0.89 -4.98 113.70 99.79 2c9t s SER 176 Ca -0.26 -0.10 -0.04 0.00 0.48 0.00 0.00 55.95 56.03 2c9t s SER 176 Cb 0.07 0.56 0.12 0.00 0.10 0.00 0.00 66.02 66.88 2c9t s SER 176 CO 0.71 -0.94 0.41 0.00 0.98 0.00 0.00 173.24 174.40 2c9t s ALA 177 N -3.77 -1.22 0.16 5.32 0.00 -1.26 -0.57 121.76 120.43 2c9t s ALA 177 Ca 0.02 1.22 0.09 0.00 0.00 0.00 0.00 51.96 53.28 2c9t s ALA 177 Cb -0.00 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 2c9t s ALA 177 CO -0.13 -1.09 -0.20 0.95 0.00 0.00 0.00 175.76 175.30 2c9t s THR 178 N 2.60 1.96 -0.22 0.00 -4.23 0.13 -2.00 115.64 113.88 2c9t s THR 178 Ca 0.08 -1.90 -0.03 0.00 -1.18 0.00 0.00 61.69 58.66 2c9t s THR 178 Cb -0.14 -1.89 0.07 0.00 1.34 0.00 0.00 72.50 71.88 2c9t s THR 178 CO -0.15 -0.23 0.06 0.00 -0.54 0.00 0.00 174.62 173.76 2c9t s GLN 179 N -2.65 0.58 -0.11 3.99 -2.07 0.22 -0.97 119.66 118.66 2c9t s GLN 179 Ca 0.16 -0.51 0.01 0.00 -1.82 0.00 0.00 55.36 53.20 2c9t s GLN 179 Cb -0.07 -1.99 0.02 0.00 -1.09 0.00 0.00 33.01 29.88 2c9t s GLN 179 CO 0.07 -0.73 -0.12 0.99 -1.32 0.00 0.00 175.29 174.18 2c9t s THR 180 N 1.86 1.32 0.23 3.63 2.01 -0.50 -4.13 115.64 120.06 2c9t s THR 180 Ca 0.02 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 2c9t s THR 180 Cb -0.17 -1.25 -0.10 0.00 0.01 0.00 0.00 72.50 70.99 2c9t s THR 180 CO -0.13 0.41 1.46 -0.60 -0.69 0.00 0.00 174.62 175.06 2c9t s ARG 181 N 1.29 4.26 0.08 4.92 3.52 -1.26 -0.79 118.95 130.97 2c9t s ARG 181 Ca -0.01 2.30 0.08 0.00 -0.13 0.00 0.00 55.73 57.97 2c9t s ARG 181 Cb -0.14 -3.12 -0.03 0.00 -1.56 0.00 0.00 34.95 30.10 2c9t s ARG 181 CO -0.05 -0.45 -0.21 -0.65 -0.81 0.00 0.00 175.30 173.13 2c9t s GLN 182 N -0.14 1.25 -0.20 5.12 -0.21 0.10 -4.91 119.66 120.68 2c9t s GLN 182 Ca 0.61 -1.08 0.01 0.00 0.02 0.00 0.00 55.36 54.92 2c9t s GLN 182 Cb -0.42 -1.47 0.04 0.00 1.00 0.00 0.00 33.01 32.16 2c9t s GLN 182 CO 0.41 0.36 -0.13 0.08 -2.12 0.00 0.00 175.29 173.88 2c9t s VAL 183 N -1.01 1.82 0.02 1.09 1.01 -1.26 -1.80 120.40 120.27 2c9t s VAL 183 Ca 0.07 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2c9t s VAL 183 Cb -0.10 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2c9t s VAL 183 CO 0.03 0.28 -0.01 -1.10 0.00 0.00 0.00 175.10 174.30 2c9t s GLN 184 N 1.34 2.70 -0.11 2.72 -1.52 0.73 -4.96 119.66 120.56 2c9t s GLN 184 Ca 0.00 -0.68 0.00 0.00 -1.95 0.00 0.00 55.36 52.74 2c9t s GLN 184 Cb -0.15 -2.62 0.02 0.00 -0.22 0.00 0.00 33.01 30.04 2c9t s GLN 184 CO -0.09 0.60 -0.11 -1.01 -0.25 0.00 0.00 175.29 174.43 2c9t s HIS 185 N -1.13 1.67 0.35 0.91 3.76 -1.26 -1.34 115.29 118.25 2c9t s HIS 185 Ca 0.21 -0.82 0.08 0.00 -0.15 0.00 0.00 55.06 54.38 2c9t s HIS 185 Cb -0.11 -1.30 -0.03 0.00 1.11 0.00 0.00 32.58 32.24 2c9t s HIS 185 CO 0.12 -0.50 0.23 0.71 -0.85 0.00 0.00 174.74 174.45 2c9t s TYR 186 N 1.38 2.77 0.05 1.40 2.02 -1.26 -5.06 117.35 118.66 2c9t s TYR 186 Ca -0.00 -0.38 -0.06 0.00 -0.37 0.00 0.00 57.07 56.26 2c9t s TYR 186 Cb -0.13 -1.78 -0.30 0.00 -0.40 0.00 0.00 41.96 39.35 2c9t s TYR 186 CO -0.06 0.22 1.06 0.77 -1.57 0.00 0.00 175.55 175.97 2c9t h SER 187 N 1.37 0.49 -0.96 2.29 0.02 -2.01 -3.17 113.55 111.58 2c9t h SER 187 Ca -0.44 -0.55 0.05 0.00 -0.84 0.00 0.00 61.79 60.01 2c9t h SER 187 Cb 1.25 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 63.58 2c9t h SER 187 CO 0.61 1.44 0.63 0.00 -1.14 0.00 0.00 176.83 178.37 2c9t h PRO 190 N 7.94 0.00 -6.20 0.00 0.13 -1.88 -3.39 132.00 128.60 2c9t h PRO 190 Ca -0.43 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.13 2c9t h PRO 190 Cb 1.14 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 2c9t h PRO 190 CO 0.60 0.07 -0.25 -1.83 -0.23 0.00 0.00 178.00 176.36 2c9t s GLU 191 N -4.10 3.71 0.45 0.86 1.03 -1.26 -5.06 118.70 114.34 2c9t s GLU 191 Ca -0.03 0.09 -0.22 0.00 0.03 0.00 0.00 54.97 54.85 2c9t s GLU 191 Cb 0.12 -2.87 -0.08 0.00 -0.80 0.00 0.00 34.13 30.50 2c9t s GLU 191 CO 0.54 0.48 1.07 -1.25 -1.33 0.00 0.00 175.26 174.76 2c9t s PRO 192 N -2.38 3.90 -0.15 -4.83 0.04 -1.26 -4.69 135.00 125.62 2c9t s PRO 192 Ca 0.39 1.49 0.01 0.00 0.04 0.00 0.00 61.00 62.93 2c9t s PRO 192 Cb -0.13 -2.30 0.02 0.00 0.04 0.00 0.00 34.50 32.14 2c9t s PRO 192 CO 0.21 -0.37 -0.16 0.71 0.04 0.00 0.00 177.00 177.43 2c9t s TYR 193 N -1.78 2.31 -0.13 0.56 2.02 -0.45 -0.52 117.35 119.35 2c9t s TYR 193 Ca 0.64 -1.29 -0.04 0.00 -0.37 0.00 0.00 57.07 56.01 2c9t s TYR 193 Cb -0.21 -1.66 -0.03 0.00 -0.40 0.00 0.00 41.96 39.66 2c9t s TYR 193 CO 0.25 -0.68 0.00 0.42 -1.57 0.00 0.00 175.55 173.98 2c9t s ILE 194 N 1.35 4.30 0.16 2.71 -1.09 -1.26 -0.19 121.20 127.18 2c9t s ILE 194 Ca 0.03 -0.23 0.00 0.00 -2.23 0.00 0.00 60.65 58.22 2c9t s ILE 194 Cb -0.13 -2.86 -0.04 0.00 -1.58 0.00 0.00 42.46 37.84 2c9t s ILE 194 CO -0.10 0.54 0.03 1.51 -1.23 0.00 0.00 174.94 175.69 2c9t s ASP 195 N -0.23 0.81 -0.26 3.58 1.47 -0.74 -4.55 116.67 116.74 2c9t s ASP 195 Ca 0.06 -1.20 -0.02 0.00 1.18 0.00 0.00 52.55 52.56 2c9t s ASP 195 Cb -0.12 0.20 0.03 0.00 -0.34 0.00 0.00 42.92 42.69 2c9t s ASP 195 CO 0.02 -0.65 -0.04 -0.69 0.68 0.00 0.00 175.17 174.49 2c9t s VAL 196 N -3.84 2.98 -0.32 2.11 1.01 -0.03 0.02 120.40 122.33 2c9t s VAL 196 Ca 0.25 -1.08 -0.29 0.00 0.00 0.00 0.00 61.98 60.86 2c9t s VAL 196 Cb 0.07 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.90 2c9t s VAL 196 CO 0.04 0.12 1.12 0.21 0.00 0.00 0.00 175.10 176.59 2c9t s ASN 197 N 1.32 6.88 -0.35 3.32 2.47 0.03 -0.27 114.94 128.35 2c9t s ASN 197 Ca -0.01 1.08 -0.15 0.00 0.42 0.00 0.00 52.86 54.20 2c9t s ASN 197 Cb -0.17 -2.54 -0.01 0.00 -1.45 0.00 0.00 41.25 37.07 2c9t s ASN 197 CO -0.03 -0.92 0.35 -0.22 -3.72 0.00 0.00 177.10 172.56 2c9t s LEU 198 N 3.79 4.48 -0.23 3.21 2.96 0.06 -1.41 118.68 131.54 2c9t s LEU 198 Ca 0.47 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.10 2c9t s LEU 198 Cb -0.13 -2.32 0.03 0.00 0.50 0.00 0.00 46.19 44.27 2c9t s LEU 198 CO 0.17 -0.34 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.04 2c9t s VAL 199 N 1.99 2.39 -0.14 1.68 1.01 -0.14 -1.22 120.40 125.98 2c9t s VAL 199 Ca 0.11 -1.16 0.03 0.00 0.00 0.00 0.00 61.98 60.96 2c9t s VAL 199 Cb -0.17 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.03 2c9t s VAL 199 CO 0.12 0.26 -0.22 0.68 0.00 0.00 0.00 175.10 175.94 2c9t s VAL 200 N 1.25 2.07 -0.23 2.92 -7.23 -0.10 -0.69 120.40 118.39 2c9t s VAL 200 Ca -0.01 -0.98 -0.06 0.00 -1.81 0.00 0.00 61.98 59.12 2c9t s VAL 200 Cb -0.16 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.93 2c9t s VAL 200 CO -0.08 0.55 0.04 -0.75 -0.31 0.00 0.00 175.10 174.56 2c9t s LYS 201 N 0.79 3.63 0.12 4.82 2.20 0.27 -0.81 119.74 130.76 2c9t s LYS 201 Ca -0.08 -0.50 -0.08 0.00 -0.36 0.00 0.00 55.97 54.96 2c9t s LYS 201 Cb -0.16 -3.23 -0.01 0.00 -1.51 0.00 0.00 37.83 32.92 2c9t s LYS 201 CO -0.01 -0.12 0.21 -0.59 -0.36 0.00 0.00 175.35 174.47 2c9t s PHE 202 N 1.40 0.32 0.20 4.03 -0.12 0.61 0.45 117.98 124.88 2c9t s PHE 202 Ca 0.05 -0.72 -0.08 0.00 -0.05 0.00 0.00 56.93 56.12 2c9t s PHE 202 Cb -0.15 -0.10 -0.01 0.00 -0.63 0.00 0.00 43.02 42.13 2c9t s PHE 202 CO 0.02 -0.61 0.31 -0.98 -0.05 0.00 0.00 175.22 173.91 2c9t s ARG 203 N -3.92 1.29 0.08 1.99 1.70 -0.63 -0.12 118.95 119.33 2c9t s ARG 203 Ca 0.12 -1.30 -0.31 0.00 -0.47 0.00 0.00 55.73 53.76 2c9t s ARG 203 Cb 0.05 0.38 -0.11 0.00 -0.57 0.00 0.00 34.95 34.70 2c9t s ARG 203 CO -0.05 -0.48 1.87 0.39 -1.08 0.00 0.00 175.30 175.94 2c9t n GLU 204 N -0.28 2.73 0.00 3.89 1.02 -0.17 -0.70 120.64 127.13 2c9t n GLU 204 Ca -0.03 0.99 0.00 0.00 -0.02 0.00 0.00 57.16 58.10 2c9t n GLU 204 Cb 0.63 -2.90 0.00 0.00 -0.02 0.00 0.00 31.44 29.16 2c9t n GLU 204 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85