#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gur s MET 2 N 0.00 3.78 -0.16 0.54 0.23 -0.92 -4.81 119.30 117.96 3gur s MET 2 Ca 0.00 0.60 -0.11 0.00 -1.03 0.00 0.00 55.69 55.15 3gur s MET 2 Cb 0.00 -2.29 -0.05 0.00 -1.53 0.00 0.00 34.83 30.96 3gur s MET 2 CO 0.00 -0.17 0.20 0.99 -2.03 0.00 0.00 175.02 174.01 3gur s THR 3 N -2.56 5.37 -0.17 3.16 2.01 -0.05 0.22 115.64 123.63 3gur s THR 3 Ca 0.53 0.35 -0.02 0.00 0.31 0.00 0.00 61.69 62.86 3gur s THR 3 Cb -0.10 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 68.87 3gur s THR 3 CO 0.35 0.47 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.45 3gur s LEU 4 N 0.02 2.88 -0.09 4.42 2.96 -0.49 -1.31 118.68 127.06 3gur s LEU 4 Ca 0.13 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 3gur s LEU 4 Cb -0.12 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.88 3gur s LEU 4 CO 0.02 0.10 -0.21 -0.83 -1.32 0.00 0.00 176.35 174.11 3gur s GLY 5 N 0.74 1.22 0.20 7.98 0.00 -0.24 -0.86 107.32 116.35 3gur s GLY 5 Ca -0.04 -0.86 -0.23 0.00 0.00 0.00 0.00 44.72 43.60 3gur s GLY 5 CO 0.02 -0.21 0.93 -0.47 0.00 0.00 0.00 173.10 173.37 3gur s TYR 6 N 0.44 -0.08 0.85 1.90 5.04 -1.04 -1.13 117.35 123.34 3gur s TYR 6 Ca -0.17 -0.30 -0.11 0.00 -2.44 0.00 0.00 57.07 54.05 3gur s TYR 6 Cb -0.17 0.68 0.11 0.00 0.35 0.00 0.00 41.96 42.92 3gur s TYR 6 CO 0.07 -0.97 1.14 -1.58 -1.34 0.00 0.00 175.55 172.87 3gur s TRP 7 N -3.07 1.93 -0.51 4.97 0.52 -1.26 -1.34 118.94 120.18 3gur s TRP 7 Ca 0.14 1.71 -0.06 0.00 0.02 0.00 0.00 56.10 57.91 3gur s TRP 7 Cb -0.03 -3.28 -0.16 0.00 -1.15 0.00 0.00 33.47 28.86 3gur s TRP 7 CO 0.04 -2.50 2.87 -1.71 0.02 0.00 0.00 176.95 175.67 3gur n ASN 8 N -3.87 5.36 -3.87 2.95 5.15 -0.32 -4.58 115.26 116.07 3gur n ASN 8 Ca 0.11 -2.36 -0.14 0.00 -0.60 0.00 0.00 54.58 51.59 3gur n ASN 8 Cb 0.52 -1.23 -0.09 0.00 -0.53 0.00 0.00 39.78 38.45 3gur n ASN 8 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3gur s ILE 9 N 1.89 0.00 -0.02 -1.44 -4.36 -1.26 -4.70 121.20 111.31 3gur s ILE 9 Ca 0.55 -1.94 -0.08 0.00 -0.26 0.00 0.00 60.65 58.93 3gur s ILE 9 Cb 0.22 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 41.39 3gur s ILE 9 CO -0.02 0.00 0.53 -0.09 0.24 0.00 0.00 174.94 175.60 3gur h ARG 10 N 2.42 -0.27 0.00 0.37 2.43 -0.93 -3.46 114.38 114.94 3gur h ARG 10 Ca -0.31 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 3gur h ARG 10 Cb 1.24 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 3gur h ARG 10 CO 0.46 -0.18 0.00 0.41 -1.51 0.00 0.00 179.97 179.15 3gur n GLY 11 N 0.55 1.90 0.11 2.80 0.00 0.48 -2.06 105.19 108.97 3gur n GLY 11 Ca -0.03 -0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.00 3gur n GLY 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gur n LEU 12 N 0.00 0.39 0.09 0.99 4.77 -1.26 -3.64 117.00 118.33 3gur n LEU 12 Ca 0.00 -0.01 0.11 0.00 -0.03 0.00 0.00 56.01 56.08 3gur n LEU 12 Cb 0.00 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3gur n LEU 12 CO 0.00 0.07 -0.01 0.00 -1.33 0.00 0.00 177.39 176.12 3gur n ALA 13 N -0.88 2.64 -0.12 -1.18 0.00 -0.87 -4.48 120.51 115.61 3gur n ALA 13 Ca 0.18 -0.27 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 3gur n ALA 13 Cb 0.23 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 3gur n ALA 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3gur h HIS 14 N 0.00 -1.69 -0.41 0.00 6.17 -1.53 0.11 115.15 117.80 3gur h HIS 14 Ca 0.00 0.08 0.05 0.00 0.71 0.00 0.00 60.37 61.21 3gur h HIS 14 Cb 0.96 0.78 -0.02 0.00 2.52 0.00 0.00 27.41 31.65 3gur h HIS 14 CO 0.00 -0.50 0.28 0.77 0.71 0.00 0.00 177.93 179.19 3gur h SER 15 N -0.43 0.31 0.02 3.26 0.02 -1.81 -0.42 113.55 114.50 3gur h SER 15 Ca 0.06 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3gur h SER 15 Cb 0.61 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.08 3gur h SER 15 CO -0.57 0.21 -0.01 0.40 -1.14 0.00 0.00 176.83 175.73 3gur h ILE 16 N 0.36 1.40 -0.41 3.27 2.04 -1.52 -1.36 117.51 121.29 3gur h ILE 16 Ca 0.18 -1.33 0.07 0.00 1.00 0.00 0.00 64.86 64.77 3gur h ILE 16 Cb 0.25 2.29 -0.06 0.00 -0.74 0.00 0.00 36.82 38.56 3gur h ILE 16 CO -0.04 0.34 0.05 0.03 0.00 0.00 0.00 178.15 178.53 3gur h ARG 17 N -0.61 0.17 -0.69 2.37 3.08 -0.23 0.32 114.38 118.78 3gur h ARG 17 Ca -0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3gur h ARG 17 Cb 0.58 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 3gur h ARG 17 CO 0.00 0.11 0.35 -0.07 -1.07 0.00 0.00 179.97 179.30 3gur h LEU 18 N 0.17 0.89 -0.85 3.04 3.38 -1.16 -1.06 115.31 119.72 3gur h LEU 18 Ca 0.20 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3gur h LEU 18 Cb 0.26 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3gur h LEU 18 CO -0.28 0.75 0.19 0.25 0.09 0.00 0.00 178.44 179.43 3gur h LEU 19 N 0.96 0.97 -0.54 1.67 5.85 -0.45 -0.77 115.31 122.99 3gur h LEU 19 Ca 0.24 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3gur h LEU 19 Cb 0.08 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3gur h LEU 19 CO -0.03 0.92 0.12 -0.07 -0.34 0.00 0.00 178.44 179.04 3gur h LEU 20 N 1.00 0.84 -0.11 2.25 3.38 -0.08 -2.33 115.31 120.26 3gur h LEU 20 Ca 0.22 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3gur h LEU 20 Cb 0.31 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3gur h LEU 20 CO -0.00 0.87 -0.00 -0.33 0.09 0.00 0.00 178.44 179.06 3gur h GLU 21 N 0.77 0.19 -0.98 1.13 4.39 -0.97 -0.10 114.58 119.01 3gur h GLU 21 Ca 0.17 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.86 3gur h GLU 21 Cb 0.37 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.94 3gur h GLU 21 CO 0.01 0.44 0.64 -0.92 -1.16 0.00 0.00 179.01 178.02 3gur h TYR 22 N -0.09 1.19 -0.01 4.33 3.20 -1.12 -1.43 116.97 123.04 3gur h TYR 22 Ca 0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3gur h TYR 22 Cb 0.36 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.23 3gur h TYR 22 CO 0.03 0.66 0.00 0.25 -1.64 0.00 0.00 178.16 177.46 3gur n THR 23 N -4.46 0.01 -3.60 1.81 -2.24 -0.88 -4.90 114.28 100.01 3gur n THR 23 Ca 0.14 -0.08 -0.22 0.00 -2.27 0.00 0.00 64.05 61.62 3gur n THR 23 Cb 0.14 -0.19 0.07 0.00 -2.10 0.00 0.00 70.33 68.25 3gur n THR 23 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3gur n ASP 24 N -0.63 -4.48 -4.76 3.42 -0.08 -0.54 -4.96 116.55 104.52 3gur n ASP 24 Ca 0.22 -0.62 -0.40 0.00 -1.51 0.00 0.00 54.79 52.48 3gur n ASP 24 Cb 0.18 -4.84 -0.05 0.00 2.34 0.00 0.00 41.12 38.74 3gur n ASP 24 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 3gur s SER 25 N -3.71 7.44 -0.33 1.67 0.01 -0.07 -5.01 113.70 113.70 3gur s SER 25 Ca 0.38 2.04 -0.26 0.00 1.31 0.00 0.00 55.95 59.42 3gur s SER 25 Cb -0.17 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.46 3gur s SER 25 CO 0.75 0.00 0.93 -0.55 0.41 0.00 0.00 173.24 174.78 3gur s SER 26 N -1.15 6.77 0.04 2.44 0.15 -1.26 -4.82 113.70 115.88 3gur s SER 26 Ca 0.44 0.79 -0.16 0.00 0.70 0.00 0.00 55.95 57.73 3gur s SER 26 Cb -0.27 -2.47 0.03 0.00 -1.71 0.00 0.00 66.02 61.60 3gur s SER 26 CO 0.34 -0.77 0.36 -0.72 1.20 0.00 0.00 173.24 173.64 3gur s TYR 27 N 3.34 -0.19 0.39 3.44 1.13 -1.26 -2.16 117.35 122.04 3gur s TYR 27 Ca 0.39 0.10 0.08 0.00 -1.41 0.00 0.00 57.07 56.22 3gur s TYR 27 Cb -0.13 0.16 -0.06 0.00 -1.10 0.00 0.00 41.96 40.83 3gur s TYR 27 CO 0.15 -0.54 0.10 -1.21 -2.51 0.00 0.00 175.55 171.54 3gur s GLU 28 N -2.53 2.15 -0.06 -3.49 2.02 0.13 -4.87 118.70 112.06 3gur s GLU 28 Ca -0.05 -1.84 0.04 0.00 0.02 0.00 0.00 54.97 53.14 3gur s GLU 28 Cb -0.01 -1.93 -0.00 0.00 0.10 0.00 0.00 34.13 32.29 3gur s GLU 28 CO -0.03 -0.02 -0.19 -1.21 0.02 0.00 0.00 175.26 173.83 3gur s GLU 29 N -3.82 2.14 -0.38 1.61 2.02 -1.26 -1.40 118.70 117.61 3gur s GLU 29 Ca 0.38 -0.67 -0.11 0.00 0.02 0.00 0.00 54.97 54.59 3gur s GLU 29 Cb 0.03 -1.77 0.03 0.00 0.10 0.00 0.00 34.13 32.53 3gur s GLU 29 CO 0.21 0.21 0.22 0.21 0.02 0.00 0.00 175.26 176.13 3gur s LYS 30 N 0.18 2.80 0.03 1.61 2.47 -0.04 -4.93 119.74 121.86 3gur s LYS 30 Ca -0.09 -1.14 -0.01 0.00 -1.56 0.00 0.00 55.97 53.18 3gur s LYS 30 Cb -0.14 -3.75 -0.04 0.00 -1.46 0.00 0.00 37.83 32.44 3gur s LYS 30 CO 0.04 -0.74 0.18 0.15 0.16 0.00 0.00 175.35 175.14 3gur s LYS 31 N 1.54 3.36 -0.06 4.03 1.02 -1.26 -2.50 119.74 125.88 3gur s LYS 31 Ca 0.02 -0.42 0.05 0.00 0.02 0.00 0.00 55.97 55.64 3gur s LYS 31 Cb -0.20 -3.02 -0.02 0.00 -0.52 0.00 0.00 37.83 34.07 3gur s LYS 31 CO 0.06 0.64 -0.19 0.71 -0.92 0.00 0.00 175.35 175.65 3gur s TYR 32 N -1.40 2.58 -0.20 3.18 1.51 -0.45 -4.86 117.35 117.71 3gur s TYR 32 Ca 0.30 -0.42 -0.09 0.00 -1.01 0.00 0.00 57.07 55.86 3gur s TYR 32 Cb -0.13 -1.62 -0.05 0.00 -0.11 0.00 0.00 41.96 40.05 3gur s TYR 32 CO 0.23 -0.01 0.11 0.99 -1.11 0.00 0.00 175.55 175.76 3gur s THR 33 N -0.43 5.25 -0.07 -0.71 2.01 -1.26 -1.18 115.64 119.26 3gur s THR 33 Ca 0.05 0.13 -0.13 0.00 0.31 0.00 0.00 61.69 62.05 3gur s THR 33 Cb -0.12 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 3gur s THR 33 CO 0.02 0.45 0.33 -0.32 -0.69 0.00 0.00 174.62 174.40 3gur s MET 34 N 0.36 3.92 0.98 4.92 1.75 -1.26 -4.72 119.30 125.24 3gur s MET 34 Ca 0.07 0.23 -0.12 0.00 -1.25 0.00 0.00 55.69 54.61 3gur s MET 34 Cb -0.11 -3.27 0.17 0.00 2.84 0.00 0.00 34.83 34.46 3gur s MET 34 CO -0.01 0.58 1.09 0.20 -0.65 0.00 0.00 175.02 176.23 3gur s GLY 35 N -0.62 1.58 0.98 2.11 0.00 -0.34 -4.90 107.32 106.13 3gur s GLY 35 Ca 0.20 -0.28 -0.16 0.00 0.00 0.00 0.00 44.72 44.49 3gur s GLY 35 CO 0.09 0.31 1.27 0.99 0.00 0.00 0.00 173.10 175.76 3gur s ASP 36 N -3.43 2.93 0.50 1.64 1.01 -1.26 -3.75 116.67 114.30 3gur s ASP 36 Ca 0.65 0.39 -0.20 0.00 0.71 0.00 0.00 52.55 54.10 3gur s ASP 36 Cb -0.19 -0.52 -0.07 0.00 1.01 0.00 0.00 42.92 43.15 3gur s ASP 36 CO 0.58 -2.86 1.09 0.00 0.21 0.00 0.00 175.17 174.18 3gur s ALA 37 N -3.71 2.82 -1.62 5.23 0.00 -1.26 -0.39 121.76 122.83 3gur s ALA 37 Ca 0.72 0.74 0.18 0.00 0.00 0.00 0.00 51.96 53.60 3gur s ALA 37 Cb -0.06 -3.31 0.51 0.00 0.00 0.00 0.00 23.12 20.26 3gur s ALA 37 CO 0.53 -0.53 1.42 -0.35 0.00 0.00 0.00 175.76 176.83 3gur n PRO 38 N -1.00 2.74 -0.11 0.00 -0.04 -1.26 -4.82 135.00 130.50 3gur n PRO 38 Ca 0.10 -2.41 -0.25 0.00 -0.04 0.00 0.00 63.50 60.89 3gur n PRO 38 Cb 0.51 -1.46 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 3gur n PRO 38 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3gur n ASP 39 N 1.23 1.93 -3.40 3.54 10.43 -1.04 -4.99 116.55 124.26 3gur n ASP 39 Ca 0.19 0.33 -0.17 0.00 2.57 0.00 0.00 54.79 57.71 3gur n ASP 39 Cb 0.55 -0.85 0.07 0.00 1.84 0.00 0.00 41.12 42.73 3gur n ASP 39 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3gur n TYR 40 N -4.19 -2.26 -1.68 1.24 4.01 0.48 -4.84 117.16 109.92 3gur n TYR 40 Ca -0.43 0.88 -0.47 0.00 -0.16 0.00 0.00 57.90 57.71 3gur n TYR 40 Cb 0.83 -4.59 -0.04 0.00 -0.31 0.00 0.00 39.34 35.22 3gur n TYR 40 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3gur n ASP 41 N -3.14 3.37 -0.81 7.72 2.03 -1.26 -4.59 116.55 119.88 3gur n ASP 41 Ca -0.20 1.01 0.07 0.00 0.52 0.00 0.00 54.79 56.19 3gur n ASP 41 Cb 0.65 -1.40 0.20 0.00 -0.72 0.00 0.00 41.12 39.84 3gur n ASP 41 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3gur n ARG 42 N 5.45 2.94 0.10 -0.67 1.74 -1.26 -1.20 116.66 123.75 3gur n ARG 42 Ca 0.20 -2.30 0.11 0.00 -0.77 0.00 0.00 57.85 55.09 3gur n ARG 42 Cb 0.30 -1.44 0.60 0.00 -1.02 0.00 0.00 32.46 30.89 3gur n ARG 42 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3gur h SER 43 N 2.29 0.13 -0.78 0.55 4.64 -1.89 0.11 113.55 118.59 3gur h SER 43 Ca 0.00 -0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.45 3gur h SER 43 Cb 0.94 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.94 3gur h SER 43 CO 0.06 0.09 0.51 -0.61 -0.87 0.00 0.00 176.83 176.01 3gur h GLN 44 N 0.15 0.55 0.01 4.77 4.15 -1.86 -0.27 115.11 122.61 3gur h GLN 44 Ca 0.13 -0.03 -0.24 0.00 0.77 0.00 0.00 58.65 59.28 3gur h GLN 44 Cb 0.33 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 3gur h GLN 44 CO -0.02 0.36 -1.30 2.35 -1.93 0.00 0.00 178.83 178.29 3gur h TRP 45 N 0.57 0.04 -0.33 3.99 2.91 -1.17 -3.38 115.95 118.58 3gur h TRP 45 Ca 0.38 -0.03 0.10 0.00 1.13 0.00 0.00 58.89 60.46 3gur h TRP 45 Cb 0.67 -0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.30 3gur h TRP 45 CO -0.00 1.51 0.30 -0.07 -1.03 0.00 0.00 178.44 179.15 3gur h LEU 46 N -0.92 0.00 -0.28 0.65 4.07 -1.10 0.49 115.31 118.22 3gur h LEU 46 Ca -0.35 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.61 3gur h LEU 46 Cb 1.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.10 3gur h LEU 46 CO -0.19 0.00 0.00 0.78 -1.08 0.00 0.00 178.44 177.95 3gur h ASN 47 N 0.00 0.00 0.00 -0.43 2.35 -1.22 -3.29 115.58 112.99 3gur h ASN 47 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3gur h ASN 47 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.12 3gur h ASN 47 CO -0.00 0.00 -1.00 1.21 -1.65 0.00 0.00 177.43 175.99 3gur n GLU 48 N -2.82 0.37 -0.27 0.81 2.13 0.23 -4.75 120.64 116.35 3gur n GLU 48 Ca 0.04 -0.01 0.08 0.00 0.66 0.00 0.00 57.16 57.93 3gur n GLU 48 Cb 0.45 -1.00 0.21 0.00 0.27 0.00 0.00 31.44 31.36 3gur n GLU 48 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 3gur h LYS 49 N 0.00 0.18 -0.12 5.31 3.64 -0.23 -0.03 116.57 125.31 3gur h LYS 49 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3gur h LYS 49 Cb 0.05 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3gur h LYS 49 CO 0.00 0.12 0.00 1.19 -2.27 0.00 0.00 179.45 178.49 3gur n PHE 50 N -5.26 0.13 -0.39 1.91 3.72 -1.26 -4.25 117.46 112.06 3gur n PHE 50 Ca 0.16 -0.07 0.09 0.00 -0.05 0.00 0.00 57.45 57.58 3gur n PHE 50 Cb 0.53 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 39.33 3gur n PHE 50 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3gur n LYS 51 N 1.01 3.00 0.00 -1.08 5.02 -0.03 -4.40 118.16 121.69 3gur n LYS 51 Ca 0.17 -2.48 0.08 0.00 -2.02 0.00 0.00 58.31 54.06 3gur n LYS 51 Cb 0.52 -1.53 -0.01 0.00 -0.02 0.00 0.00 35.03 33.99 3gur n LYS 51 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3gur n LEU 52 N 0.91 1.57 -0.31 -0.35 4.77 -1.20 -4.99 117.00 117.40 3gur n LEU 52 Ca 0.19 -0.75 -0.03 0.00 -0.03 0.00 0.00 56.01 55.39 3gur n LEU 52 Cb 0.62 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.70 3gur n LEU 52 CO 0.14 0.30 -0.04 0.61 -1.33 0.00 0.00 177.39 177.08 3gur n GLY 53 N 1.15 0.43 3.71 -0.72 0.00 -1.26 -5.02 105.19 103.48 3gur n GLY 53 Ca 0.06 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 3gur n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gur s LEU 54 N -0.83 4.34 0.32 0.99 1.43 -1.26 -4.96 118.68 118.71 3gur s LEU 54 Ca 0.00 1.40 0.04 0.00 -1.03 0.00 0.00 54.13 54.54 3gur s LEU 54 Cb 0.00 -3.30 0.65 0.00 0.03 0.00 0.00 46.19 43.57 3gur s LEU 54 CO 0.00 -0.18 1.88 0.44 0.23 0.00 0.00 176.35 178.73 3gur h ASP 55 N 6.76 0.81 -2.80 2.29 3.32 -1.96 -3.29 116.42 121.55 3gur h ASP 55 Ca -0.41 0.03 -0.60 0.00 0.02 0.00 0.00 57.03 56.07 3gur h ASP 55 Cb 1.21 -0.14 -0.39 0.00 0.22 0.00 0.00 39.33 40.22 3gur h ASP 55 CO 0.75 0.47 -0.83 -0.36 -1.72 0.00 0.00 179.24 177.55 3gur s PHE 56 N -5.82 1.68 -0.39 4.55 0.40 -1.26 -5.11 117.98 112.03 3gur s PHE 56 Ca -0.11 -2.41 -0.43 0.00 -0.60 0.00 0.00 56.93 53.38 3gur s PHE 56 Cb 0.21 -1.46 -0.17 0.00 0.51 0.00 0.00 43.02 42.10 3gur s PHE 56 CO 0.80 -0.77 1.74 -2.30 0.70 0.00 0.00 175.22 175.39 3gur n PRO 57 N 3.06 0.62 -3.59 0.24 -0.02 -1.24 -4.85 135.00 129.22 3gur n PRO 57 Ca 0.20 0.22 -0.10 0.00 -2.02 0.00 0.00 63.50 61.81 3gur n PRO 57 Cb 0.41 -1.84 -0.02 0.00 -0.02 0.00 0.00 33.50 32.02 3gur n PRO 57 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3gur s ASN 58 N 3.70 -0.43 -0.13 2.55 3.84 -1.26 -5.08 114.94 118.13 3gur s ASN 58 Ca 1.03 -0.22 0.01 0.00 0.21 0.00 0.00 52.86 53.89 3gur s ASN 58 Cb -1.26 0.62 -0.01 0.00 -0.55 0.00 0.00 41.25 40.05 3gur s ASN 58 CO 0.71 -1.06 -0.17 -0.76 -2.79 0.00 0.00 177.10 173.04 3gur s LEU 59 N -2.79 2.47 0.62 3.21 1.43 -1.26 -3.93 118.68 118.42 3gur s LEU 59 Ca 0.05 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.61 3gur s LEU 59 Cb -0.03 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 3gur s LEU 59 CO -0.05 0.13 1.01 -2.16 0.23 0.00 0.00 176.35 175.51 3gur s PRO 60 N 0.52 3.40 0.12 1.29 0.04 -1.26 -4.93 135.00 134.17 3gur s PRO 60 Ca -0.11 0.58 0.03 0.00 0.04 0.00 0.00 61.00 61.55 3gur s PRO 60 Cb -0.16 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 3gur s PRO 60 CO 0.04 -0.63 -0.09 1.52 0.04 0.00 0.00 177.00 177.88 3gur s TYR 61 N -3.16 1.08 -0.14 0.56 -0.85 -0.29 -3.70 117.35 110.85 3gur s TYR 61 Ca 0.55 -0.78 -0.02 0.00 -0.52 0.00 0.00 57.07 56.29 3gur s TYR 61 Cb -0.11 -0.58 0.04 0.00 0.38 0.00 0.00 41.96 41.70 3gur s TYR 61 CO 0.52 -0.02 0.01 -1.17 -1.52 0.00 0.00 175.55 173.37 3gur s LEU 62 N -2.93 0.96 -0.40 -3.49 2.96 0.51 -1.08 118.68 115.21 3gur s LEU 62 Ca 0.12 -0.47 -0.17 0.00 -0.22 0.00 0.00 54.13 53.38 3gur s LEU 62 Cb 0.02 -0.57 0.01 0.00 0.50 0.00 0.00 46.19 46.16 3gur s LEU 62 CO -0.01 -0.24 0.46 -0.63 -1.32 0.00 0.00 176.35 174.60 3gur s ILE 63 N 1.88 5.06 -0.53 6.68 -1.09 -0.43 -1.47 121.20 131.30 3gur s ILE 63 Ca 0.02 -0.16 0.04 0.00 -2.23 0.00 0.00 60.65 58.32 3gur s ILE 63 Cb -0.15 -4.02 0.15 0.00 -1.58 0.00 0.00 42.46 36.87 3gur s ILE 63 CO -0.07 -0.37 0.35 -0.62 -1.23 0.00 0.00 174.94 173.01 3gur s ASP 64 N 1.81 3.64 1.51 3.58 2.15 0.11 -0.87 116.67 128.60 3gur s ASP 64 Ca 0.14 -3.19 0.00 0.00 0.43 0.00 0.00 52.55 49.92 3gur s ASP 64 Cb -0.16 -1.17 0.00 0.00 -0.30 0.00 0.00 42.92 41.29 3gur s ASP 64 CO 0.14 -0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.57 3gur n GLY 65 N 2.79 1.65 0.00 2.66 0.00 -1.26 -2.72 105.19 108.31 3gur n GLY 65 Ca 0.17 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.33 3gur n GLY 65 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gur n THR 66 N 0.00 0.00 -2.58 2.61 -2.24 -1.26 -4.85 114.28 105.96 3gur n THR 66 Ca 0.00 -0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.24 3gur n THR 66 Cb 0.00 0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 69.05 3gur n THR 66 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3gur s HIS 67 N -2.94 3.12 -0.17 4.78 3.76 -1.10 -5.02 115.29 117.71 3gur s HIS 67 Ca 0.05 1.24 -0.01 0.00 -0.15 0.00 0.00 55.06 56.19 3gur s HIS 67 Cb 0.14 -3.48 -0.00 0.00 1.11 0.00 0.00 32.58 30.35 3gur s HIS 67 CO 0.81 -0.95 -0.12 0.15 -0.85 0.00 0.00 174.74 173.78 3gur s LYS 68 N 3.47 3.27 -0.06 1.40 1.02 -1.26 -0.71 119.74 126.87 3gur s LYS 68 Ca 0.48 -0.71 0.00 0.00 0.02 0.00 0.00 55.97 55.76 3gur s LYS 68 Cb -0.16 -2.73 0.02 0.00 -0.52 0.00 0.00 37.83 34.45 3gur s LYS 68 CO 0.12 -0.03 -0.02 0.42 -0.92 0.00 0.00 175.35 174.91 3gur s ILE 69 N 0.96 0.46 0.51 2.17 1.01 -0.54 -4.80 121.20 120.98 3gur s ILE 69 Ca -0.02 -0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.66 3gur s ILE 69 Cb -0.15 -0.54 0.02 0.00 0.01 0.00 0.00 42.46 41.79 3gur s ILE 69 CO -0.01 0.24 0.32 0.42 0.00 0.00 0.00 174.94 175.90 3gur s THR 70 N 1.35 1.75 -0.01 2.92 -4.23 -1.26 -0.36 115.64 115.79 3gur s THR 70 Ca -0.04 -1.58 -0.01 0.00 -1.18 0.00 0.00 61.69 58.88 3gur s THR 70 Cb -0.13 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.39 3gur s THR 70 CO -0.02 0.00 0.01 0.00 -0.54 0.00 0.00 174.62 174.07 3gur n GLN 71 N -1.61 -1.46 -0.26 3.99 1.13 -1.24 -4.37 117.38 113.55 3gur n GLN 71 Ca -0.04 1.42 0.18 0.00 -1.94 0.00 0.00 57.00 56.63 3gur n GLN 71 Cb 0.64 -1.81 0.48 0.00 0.11 0.00 0.00 30.24 29.66 3gur n GLN 71 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3gur h SER 72 N 1.21 0.48 0.02 1.08 4.64 -1.91 0.23 113.55 119.30 3gur h SER 72 Ca -0.03 0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.24 3gur h SER 72 Cb 0.08 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 3gur h SER 72 CO 0.00 0.19 -0.28 0.78 -0.87 0.00 0.00 176.83 176.65 3gur h ASN 73 N 0.48 0.40 0.06 4.97 2.35 -1.95 -1.19 115.58 120.69 3gur h ASN 73 Ca 0.49 -0.14 -0.18 0.00 -0.55 0.00 0.00 56.30 55.92 3gur h ASN 73 Cb 1.12 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 39.38 3gur h ASN 73 CO -0.21 0.68 -0.66 0.00 -1.65 0.00 0.00 177.43 175.58 3gur h ALA 74 N 1.36 0.57 -0.12 -0.83 0.00 -0.83 -2.02 119.26 117.38 3gur h ALA 74 Ca 0.05 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 3gur h ALA 74 Cb 0.68 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3gur h ALA 74 CO 0.05 0.71 -0.01 0.82 0.00 0.00 0.00 179.25 180.82 3gur h ILE 75 N 0.41 1.27 -0.40 0.00 2.04 -1.11 -2.08 117.51 117.65 3gur h ILE 75 Ca -0.02 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 64.96 3gur h ILE 75 Cb 1.24 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 3gur h ILE 75 CO 0.12 0.26 0.25 -0.07 0.00 0.00 0.00 178.15 178.71 3gur h LEU 76 N -0.07 0.41 -1.24 1.44 3.38 -1.27 -1.83 115.31 116.13 3gur h LEU 76 Ca 0.03 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3gur h LEU 76 Cb 0.40 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3gur h LEU 76 CO 0.01 0.30 0.23 0.03 0.09 0.00 0.00 178.44 179.10 3gur h ARG 77 N 0.50 0.76 0.20 1.13 3.08 -1.37 -0.50 114.38 118.17 3gur h ARG 77 Ca 0.15 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3gur h ARG 77 Cb -0.02 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.89 3gur h ARG 77 CO -0.05 0.61 -0.09 -0.92 -1.07 0.00 0.00 179.97 178.44 3gur h TYR 78 N 0.76 -0.24 -0.50 3.04 3.20 -0.93 -1.72 116.97 120.57 3gur h TYR 78 Ca 0.19 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 3gur h TYR 78 Cb 0.12 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3gur h TYR 78 CO 0.01 -0.04 0.27 0.82 -1.64 0.00 0.00 178.16 177.58 3gur h ILE 79 N -0.41 1.17 -0.66 1.81 2.04 -1.19 -3.13 117.51 117.13 3gur h ILE 79 Ca -0.03 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 3gur h ILE 79 Cb 0.32 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3gur h ILE 79 CO 0.04 0.18 0.28 0.00 0.00 0.00 0.00 178.15 178.65 3gur h ALA 80 N 1.11 1.24 -0.05 1.87 0.00 -1.02 -2.86 119.26 119.55 3gur h ALA 80 Ca 0.17 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3gur h ALA 80 Cb 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3gur h ALA 80 CO -0.03 0.56 -0.30 -0.09 0.00 0.00 0.00 179.25 179.40 3gur h ARG 81 N 0.95 0.08 -0.17 0.00 2.43 -1.26 -0.10 114.38 116.31 3gur h ARG 81 Ca 0.23 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.28 3gur h ARG 81 Cb 0.17 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3gur h ARG 81 CO -0.02 0.38 -0.27 0.87 -1.51 0.00 0.00 179.97 179.41 3gur h LYS 82 N 0.08 0.31 -0.18 0.20 1.57 -1.50 -3.31 116.57 113.73 3gur h LYS 82 Ca 0.01 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3gur h LYS 82 Cb 0.57 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3gur h LYS 82 CO 0.04 0.57 0.00 0.72 -0.57 0.00 0.00 179.45 180.21 3gur n HIS 83 N -4.13 0.31 -2.40 -1.35 8.25 -0.68 -4.99 115.22 110.23 3gur n HIS 83 Ca -0.01 -0.58 -0.14 0.00 -0.26 0.00 0.00 57.72 56.73 3gur n HIS 83 Cb 0.39 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.43 3gur n HIS 83 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3gur n ASN 84 N -0.13 -4.37 -3.00 0.41 5.15 -0.15 -4.91 115.26 108.26 3gur n ASN 84 Ca 0.09 -0.06 -0.40 0.00 -0.60 0.00 0.00 54.58 53.61 3gur n ASN 84 Cb 0.43 -3.45 0.04 0.00 -0.53 0.00 0.00 39.78 36.27 3gur n ASN 84 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3gur n LEU 85 N -2.21 7.51 -4.47 1.20 4.77 -0.59 -4.95 117.00 118.26 3gur n LEU 85 Ca -0.14 -4.89 -0.23 0.00 -0.03 0.00 0.00 56.01 50.72 3gur n LEU 85 Cb 0.61 -1.08 -0.11 0.00 -2.33 0.00 0.00 43.42 40.51 3gur n LEU 85 CO 0.23 1.79 -0.33 0.00 -1.33 0.00 0.00 177.39 177.75 3gur s GLY 87 N -3.50 2.81 0.00 0.00 0.00 -1.26 -4.97 107.32 100.40 3gur s GLY 87 Ca 0.32 1.13 -0.04 0.00 0.00 0.00 0.00 44.72 46.13 3gur s GLY 87 CO 0.14 1.56 -0.09 1.18 0.00 0.00 0.00 173.10 175.90 3gur n GLU 88 N -1.45 0.13 -0.83 2.90 1.02 -1.26 -4.72 120.64 116.43 3gur n GLU 88 Ca 0.13 0.05 -0.32 0.00 -0.02 0.00 0.00 57.16 57.00 3gur n GLU 88 Cb 0.48 -0.63 0.14 0.00 -0.02 0.00 0.00 31.44 31.41 3gur n GLU 88 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3gur n SER 89 N -3.44 -0.43 -0.31 1.62 3.41 -1.26 -4.71 113.62 108.50 3gur n SER 89 Ca -0.03 0.43 0.02 0.00 -0.26 0.00 0.00 58.87 59.02 3gur n SER 89 Cb 0.13 -1.38 0.20 0.00 -0.26 0.00 0.00 64.21 62.90 3gur n SER 89 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3gur h GLU 90 N -1.52 1.10 -0.83 4.33 4.57 -1.99 -0.69 114.58 119.55 3gur h GLU 90 Ca -0.44 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 57.69 3gur h GLU 90 Cb 1.28 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 29.58 3gur h GLU 90 CO 0.40 0.73 0.55 -0.22 -1.18 0.00 0.00 179.01 179.28 3gur h LYS 91 N 1.13 1.08 -0.23 1.92 1.63 -2.01 -2.37 116.57 117.73 3gur h LYS 91 Ca 0.37 -0.07 -0.17 0.00 -0.85 0.00 0.00 60.65 59.93 3gur h LYS 91 Cb 0.05 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 31.43 3gur h LYS 91 CO -0.12 0.72 -0.54 0.93 -3.45 0.00 0.00 179.45 176.99 3gur h GLU 92 N 1.11 0.69 0.00 1.90 5.08 -1.67 -2.81 114.58 118.89 3gur h GLU 92 Ca 0.31 -0.43 -0.13 0.00 -1.00 0.00 0.00 59.36 58.11 3gur h GLU 92 Cb -0.11 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3gur h GLU 92 CO -0.07 1.05 -0.61 1.96 -1.00 0.00 0.00 179.01 180.34 3gur h GLN 93 N 0.53 0.00 0.27 2.33 4.20 -0.99 -0.89 115.11 120.57 3gur h GLN 93 Ca 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3gur h GLN 93 Cb 1.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.90 3gur h GLN 93 CO 0.11 0.61 -0.13 0.82 -0.67 0.00 0.00 178.83 179.57 3gur h ILE 94 N 0.00 0.72 -0.71 2.54 2.04 -1.43 -1.78 117.51 118.89 3gur h ILE 94 Ca -0.01 -0.74 0.10 0.00 1.00 0.00 0.00 64.86 65.22 3gur h ILE 94 Cb 1.15 1.09 -0.08 0.00 -0.74 0.00 0.00 36.82 38.24 3gur h ILE 94 CO 0.08 0.14 0.33 0.03 0.00 0.00 0.00 178.15 178.73 3gur h ARG 95 N -0.79 0.54 -0.17 2.37 3.08 -1.49 0.10 114.38 118.02 3gur h ARG 95 Ca -0.04 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.02 3gur h ARG 95 Cb 0.51 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 3gur h ARG 95 CO 0.06 0.36 -0.08 1.49 -1.07 0.00 0.00 179.97 180.72 3gur h GLU 96 N 0.55 -0.07 -0.68 0.04 4.81 -1.19 -0.06 114.58 117.99 3gur h GLU 96 Ca 0.36 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.56 3gur h GLU 96 Cb 0.42 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 3gur h GLU 96 CO -0.30 -0.04 0.27 -0.44 -0.73 0.00 0.00 179.01 177.77 3gur h ASP 97 N -0.07 0.92 -0.16 1.04 3.32 -0.58 -0.99 116.42 119.90 3gur h ASP 97 Ca 0.09 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 56.88 3gur h ASP 97 Cb 0.21 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3gur h ASP 97 CO -0.21 0.83 -0.41 0.40 -1.72 0.00 0.00 179.24 178.13 3gur h ILE 98 N 0.99 1.35 -0.44 0.35 2.04 -0.50 -3.05 117.51 118.24 3gur h ILE 98 Ca 0.23 -1.67 -0.15 0.00 1.00 0.00 0.00 64.86 64.27 3gur h ILE 98 Cb 0.19 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 3gur h ILE 98 CO -0.02 0.51 -0.29 -0.07 0.00 0.00 0.00 178.15 178.28 3gur h LEU 99 N 0.19 1.01 -0.02 1.44 3.38 -0.98 0.12 115.31 120.46 3gur h LEU 99 Ca -0.01 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.58 3gur h LEU 99 Cb 1.02 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 3gur h LEU 99 CO 0.09 1.22 -0.39 -0.08 0.09 0.00 0.00 178.44 179.37 3gur h GLU 100 N 0.82 -0.51 -0.08 1.13 4.81 -1.24 -1.19 114.58 118.31 3gur h GLU 100 Ca 0.09 0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.21 3gur h GLU 100 Cb 0.88 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 3gur h GLU 100 CO 0.08 -0.34 -0.58 -0.91 -0.73 0.00 0.00 179.01 176.53 3gur h ASN 101 N -0.53 0.28 -0.18 1.04 2.35 -1.42 -2.77 115.58 114.35 3gur h ASN 101 Ca 0.06 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 3gur h ASN 101 Cb 0.62 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 3gur h ASN 101 CO -0.32 0.80 0.08 1.56 -1.65 0.00 0.00 177.43 177.90 3gur h GLN 102 N 0.19 0.26 -0.51 0.81 1.08 -0.56 -1.74 115.11 114.64 3gur h GLN 102 Ca -0.00 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.09 3gur h GLN 102 Cb 1.07 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.43 3gur h GLN 102 CO 0.09 0.32 0.05 0.74 -0.95 0.00 0.00 178.83 179.08 3gur h PHE 103 N 0.14 0.86 -0.64 2.96 0.04 -1.26 -1.50 116.94 117.55 3gur h PHE 103 Ca 0.06 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 3gur h PHE 103 Cb 0.16 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.03 3gur h PHE 103 CO -0.02 0.76 0.38 1.98 -0.60 0.00 0.00 178.31 180.82 3gur h MET 104 N 0.77 0.87 0.28 1.51 4.05 -1.31 0.36 114.93 121.46 3gur h MET 104 Ca 0.16 -0.08 -0.00 0.00 -0.28 0.00 0.00 59.70 59.50 3gur h MET 104 Cb 0.39 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 31.00 3gur h MET 104 CO 0.01 0.62 -0.24 -0.44 0.23 0.00 0.00 176.91 177.09 3gur h ASP 105 N 0.86 -0.64 -0.52 1.39 3.32 -0.93 0.88 116.42 120.79 3gur h ASP 105 Ca 0.23 0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.42 3gur h ASP 105 Cb -0.02 0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.67 3gur h ASP 105 CO -0.04 -0.36 0.10 0.28 -1.72 0.00 0.00 179.24 177.50 3gur h SER 106 N -0.54 -0.00 -0.87 6.45 0.02 -1.04 -0.00 113.55 117.57 3gur h SER 106 Ca -0.01 0.09 0.06 0.00 -0.84 0.00 0.00 61.79 61.09 3gur h SER 106 Cb 0.49 0.13 -0.06 0.00 0.14 0.00 0.00 62.40 63.10 3gur h SER 106 CO -0.03 0.02 0.54 -0.09 -1.14 0.00 0.00 176.83 176.14 3gur h ARG 107 N 0.24 0.97 -0.18 3.45 2.43 -0.05 -2.76 114.38 118.48 3gur h ARG 107 Ca 0.26 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.23 3gur h ARG 107 Cb 0.36 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3gur h ARG 107 CO -0.34 0.64 -0.50 0.52 -1.51 0.00 0.00 179.97 178.78 3gur h MET 108 N 1.00 0.49 -0.83 0.20 2.86 0.72 -2.61 114.93 116.76 3gur h MET 108 Ca 0.37 -0.29 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3gur h MET 108 Cb 0.15 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 3gur h MET 108 CO -0.16 0.88 0.41 1.96 1.06 0.00 0.00 176.91 181.06 3gur h GLN 109 N 0.39 1.18 -0.26 1.72 4.20 -0.81 -0.85 115.11 120.68 3gur h GLN 109 Ca 0.02 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.44 3gur h GLN 109 Cb 1.02 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.58 3gur h GLN 109 CO 0.09 0.90 -0.31 1.25 -0.67 0.00 0.00 178.83 180.09 3gur h LEU 110 N 1.18 0.73 -0.82 1.46 5.85 -1.36 -2.87 115.31 119.47 3gur h LEU 110 Ca 0.29 -0.49 -0.08 0.00 0.84 0.00 0.00 57.88 58.43 3gur h LEU 110 Cb 0.09 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3gur h LEU 110 CO -0.04 1.08 -0.02 0.00 -0.34 0.00 0.00 178.44 179.11 3gur h ALA 111 N 0.68 1.01 -0.40 1.25 0.00 -1.34 -0.86 119.26 119.60 3gur h ALA 111 Ca 0.04 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.67 3gur h ALA 111 Cb 0.89 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3gur h ALA 111 CO 0.08 0.60 0.24 -0.22 0.00 0.00 0.00 179.25 179.95 3gur h LYS 112 N 0.79 0.48 -0.44 0.00 3.64 -1.14 -0.87 116.57 119.04 3gur h LYS 112 Ca 0.15 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3gur h LYS 112 Cb 0.51 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3gur h LYS 112 CO 0.03 0.32 0.16 1.25 -2.27 0.00 0.00 179.45 178.94 3gur h LEU 113 N 0.50 0.62 -0.82 5.20 5.85 -1.31 -2.94 115.31 122.40 3gur h LEU 113 Ca 0.16 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3gur h LEU 113 Cb -0.01 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.86 3gur h LEU 113 CO -0.07 0.64 0.00 0.00 -0.34 0.00 0.00 178.44 178.67 3gur n TYR 115 N -2.90 0.00 -2.43 0.00 4.01 -0.37 -0.97 117.16 114.50 3gur n TYR 115 Ca 0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.35 3gur n TYR 115 Cb 0.37 -0.05 -0.04 0.00 -0.31 0.00 0.00 39.34 39.31 3gur n TYR 115 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3gur s ASP 116 N -2.82 7.18 0.35 7.72 -1.08 -1.09 -4.63 116.67 122.30 3gur s ASP 116 Ca 0.13 2.24 0.08 0.00 -0.52 0.00 0.00 52.55 54.48 3gur s ASP 116 Cb 0.17 -2.62 0.80 0.00 -1.46 0.00 0.00 42.92 39.81 3gur s ASP 116 CO 0.74 -0.26 1.86 -0.65 0.52 0.00 0.00 175.17 177.37 3gur h PRO 117 N 4.56 0.70 -0.92 4.34 0.11 -1.93 -2.87 132.00 135.99 3gur h PRO 117 Ca -0.46 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3gur h PRO 117 Cb 1.21 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3gur h PRO 117 CO 0.71 0.46 0.02 -0.25 -0.21 0.00 0.00 178.00 178.72 3gur n ASP 118 N -4.58 2.15 -0.33 -2.05 8.00 -1.26 -4.67 116.55 113.81 3gur n ASP 118 Ca 0.18 -2.22 -0.00 0.00 0.71 0.00 0.00 54.79 53.46 3gur n ASP 118 Cb 0.48 -0.54 0.04 0.00 -0.02 0.00 0.00 41.12 41.08 3gur n ASP 118 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3gur n PHE 119 N 0.14 0.06 -0.21 1.24 7.35 -1.08 -1.74 117.46 123.21 3gur n PHE 119 Ca 0.07 1.05 -0.02 0.00 -0.76 0.00 0.00 57.45 57.79 3gur n PHE 119 Cb 0.49 -0.84 0.18 0.00 0.35 0.00 0.00 39.48 39.66 3gur n PHE 119 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3gur h GLU 120 N 0.00 0.99 0.00 -4.13 4.39 -1.90 0.10 114.58 114.03 3gur h GLU 120 Ca 0.31 -0.14 -0.17 0.00 0.34 0.00 0.00 59.36 59.70 3gur h GLU 120 Cb 0.52 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 3gur h GLU 120 CO -0.85 0.77 -0.82 0.87 -1.16 0.00 0.00 179.01 177.81 3gur h LYS 121 N 0.98 0.00 0.00 2.33 1.79 -1.72 -3.33 116.57 116.62 3gur h LYS 121 Ca 0.24 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.65 3gur h LYS 121 Cb 0.12 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 3gur h LYS 121 CO -0.03 0.82 -1.16 1.28 -1.08 0.00 0.00 179.45 179.29 3gur n LEU 122 N -3.51 0.86 -0.13 2.94 4.77 -0.84 -4.32 117.00 116.77 3gur n LEU 122 Ca -0.00 0.35 -0.05 0.00 -0.03 0.00 0.00 56.01 56.28 3gur n LEU 122 Cb 0.80 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.90 3gur n LEU 122 CO 0.45 -0.07 0.73 0.50 -1.33 0.00 0.00 177.39 177.67 3gur h LYS 123 N 0.00 -0.09 -0.15 3.23 3.64 -0.91 -2.42 116.57 119.87 3gur h LYS 123 Ca -0.06 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3gur h LYS 123 Cb 1.21 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 3gur h LYS 123 CO 0.02 -0.06 0.10 -1.35 -2.27 0.00 0.00 179.45 175.89 3gur h PRO 124 N -0.10 0.14 -0.33 1.90 0.11 -1.77 -1.88 132.00 130.07 3gur h PRO 124 Ca 0.21 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.20 3gur h PRO 124 Cb 0.42 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 3gur h PRO 124 CO -0.49 0.09 -0.21 1.49 -0.21 0.00 0.00 178.00 178.67 3gur h GLU 125 N 0.14 0.73 -0.34 1.05 4.57 -1.70 -0.76 114.58 118.28 3gur h GLU 125 Ca 0.06 -0.34 -0.01 0.00 -1.18 0.00 0.00 59.36 57.90 3gur h GLU 125 Cb 0.07 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 3gur h GLU 125 CO -0.01 0.95 0.19 -0.92 -1.18 0.00 0.00 179.01 178.04 3gur h TYR 126 N 0.50 0.46 0.00 0.92 3.20 -1.15 -2.25 116.97 118.64 3gur h TYR 126 Ca 0.07 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 3gur h TYR 126 Cb 0.75 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 3gur h TYR 126 CO 0.06 0.36 -0.39 -0.07 -1.64 0.00 0.00 178.16 176.48 3gur h LEU 127 N 0.42 0.00 -0.57 2.82 3.38 -1.28 -0.85 115.31 119.24 3gur h LEU 127 Ca 0.12 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 3gur h LEU 127 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3gur h LEU 127 CO -0.02 0.39 -0.40 -0.61 0.09 0.00 0.00 178.44 177.90 3gur h GLN 128 N 0.00 0.70 0.00 1.13 -0.00 -0.87 -3.23 115.11 112.85 3gur h GLN 128 Ca -0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 58.65 58.29 3gur h GLN 128 Cb 0.76 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.25 3gur h GLN 128 CO 0.05 0.97 -0.56 0.00 0.00 0.00 0.00 178.83 179.30 3gur n ALA 129 N -2.52 3.34 -0.06 3.38 0.00 -0.87 -4.43 120.51 119.36 3gur n ALA 129 Ca -0.02 -0.32 -0.11 0.00 0.00 0.00 0.00 53.44 52.99 3gur n ALA 129 Cb 0.53 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.80 3gur n ALA 129 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3gur h LEU 130 N 0.00 0.30 -0.76 0.00 5.85 -1.18 -3.01 115.31 116.51 3gur h LEU 130 Ca 0.00 -0.20 0.18 0.00 0.84 0.00 0.00 57.88 58.70 3gur h LEU 130 Cb 0.58 -0.08 -0.13 0.00 0.37 0.00 0.00 40.66 41.40 3gur h LEU 130 CO 0.00 0.41 0.04 -0.65 -0.34 0.00 0.00 178.44 177.90 3gur h PRO 131 N 0.16 0.12 -0.68 5.25 0.11 -1.77 -1.20 132.00 133.99 3gur h PRO 131 Ca 0.07 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.13 3gur h PRO 131 Cb 0.22 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.27 3gur h PRO 131 CO -0.00 0.08 0.27 1.49 -0.21 0.00 0.00 178.00 179.63 3gur h GLU 132 N 0.12 1.00 0.60 1.05 4.57 -1.83 -0.74 114.58 119.35 3gur h GLU 132 Ca 0.42 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 58.41 3gur h GLU 132 Cb 0.75 -0.17 0.01 0.00 -0.16 0.00 0.00 28.75 29.18 3gur h GLU 132 CO -0.65 0.81 -0.29 1.98 -1.18 0.00 0.00 179.01 179.68 3gur h MET 133 N 0.98 -0.78 -0.68 1.92 4.05 -1.14 -2.76 114.93 116.51 3gur h MET 133 Ca 0.23 0.05 0.07 0.00 -0.28 0.00 0.00 59.70 59.77 3gur h MET 133 Cb 0.19 0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 31.12 3gur h MET 133 CO -0.02 -0.51 0.45 -0.07 0.23 0.00 0.00 176.91 176.99 3gur h LEU 134 N -0.84 0.59 -0.65 3.39 3.38 -1.04 -1.67 115.31 118.48 3gur h LEU 134 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3gur h LEU 134 Cb 0.63 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3gur h LEU 134 CO 0.14 0.38 0.37 0.50 0.09 0.00 0.00 178.44 179.92 3gur h LYS 135 N 0.68 0.89 -0.44 1.13 3.64 -1.02 0.16 116.57 121.61 3gur h LYS 135 Ca 0.29 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3gur h LYS 135 Cb 0.29 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 3gur h LYS 135 CO -0.09 0.66 0.25 -0.07 -2.27 0.00 0.00 179.45 177.92 3gur h LEU 136 N 0.88 0.40 -0.64 5.20 4.07 -1.02 0.36 115.31 124.56 3gur h LEU 136 Ca 0.23 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.18 3gur h LEU 136 Cb 0.01 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.65 3gur h LEU 136 CO -0.04 0.28 0.32 1.88 -1.08 0.00 0.00 178.44 179.80 3gur h TYR 137 N 0.50 0.91 0.40 1.13 0.05 -1.22 -1.44 116.97 117.30 3gur h TYR 137 Ca 0.18 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 3gur h TYR 137 Cb 0.03 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.49 3gur h TYR 137 CO -0.08 0.68 -0.19 1.03 -1.05 0.00 0.00 178.16 178.55 3gur h SER 138 N 0.88 -0.45 -0.77 3.88 0.87 -0.09 -0.65 113.55 117.21 3gur h SER 138 Ca 0.22 -0.02 0.16 0.00 -1.23 0.00 0.00 61.79 60.92 3gur h SER 138 Cb 0.10 0.12 -0.10 0.00 -0.44 0.00 0.00 62.40 62.07 3gur h SER 138 CO -0.03 -0.28 0.28 1.56 -0.53 0.00 0.00 176.83 177.83 3gur h GLN 139 N -0.59 0.38 -0.47 2.24 4.20 -0.29 0.92 115.11 121.51 3gur h GLN 139 Ca -0.05 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 3gur h GLN 139 Cb 0.44 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3gur h GLN 139 CO 0.09 0.25 -0.11 0.35 -0.67 0.00 0.00 178.83 178.74 3gur h PHE 140 N 0.40 1.01 -0.10 2.96 3.57 -0.96 -3.18 116.94 120.64 3gur h PHE 140 Ca 0.43 -0.22 -0.13 0.00 3.53 0.00 0.00 57.97 61.59 3gur h PHE 140 Cb 0.70 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 39.20 3gur h PHE 140 CO -0.19 0.99 -0.43 1.25 -2.23 0.00 0.00 178.31 177.70 3gur h LEU 141 N 0.74 0.55 0.00 0.59 5.85 -0.55 -3.48 115.31 119.00 3gur h LEU 141 Ca 0.12 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.20 3gur h LEU 141 Cb 0.66 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3gur h LEU 141 CO 0.05 1.09 0.00 0.61 -0.34 0.00 0.00 178.44 179.85 3gur n GLY 142 N 0.67 3.63 1.16 3.75 0.00 0.27 -2.10 105.19 112.57 3gur n GLY 142 Ca -0.08 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.07 3gur n GLY 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gur n LYS 143 N 14.00 2.49 -2.37 1.61 5.02 -1.26 -4.88 118.16 132.77 3gur n LYS 143 Ca 0.00 -2.27 -0.37 0.00 -2.02 0.00 0.00 58.31 53.64 3gur n LYS 143 Cb 0.00 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 33.47 3gur n LYS 143 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3gur s GLN 144 N -1.40 4.03 0.30 1.97 -0.21 -0.89 -4.95 119.66 118.50 3gur s GLN 144 Ca 0.41 1.71 0.11 0.00 0.02 0.00 0.00 55.36 57.60 3gur s GLN 144 Cb 0.23 -2.57 0.44 0.00 1.00 0.00 0.00 33.01 32.10 3gur s GLN 144 CO 0.31 -0.30 1.66 -1.00 -2.12 0.00 0.00 175.29 173.84 3gur h PRO 145 N 2.47 0.02 -4.84 2.91 0.13 -1.89 -3.46 132.00 127.34 3gur h PRO 145 Ca -0.49 -0.01 -0.28 0.00 -0.87 0.00 0.00 66.00 64.35 3gur h PRO 145 Cb 1.23 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.22 3gur h PRO 145 CO 0.62 0.57 -0.69 -1.58 -0.23 0.00 0.00 178.00 176.69 3gur s TRP 146 N -3.77 1.13 0.49 1.56 0.52 -0.42 -4.96 118.94 113.49 3gur s TRP 146 Ca -0.02 -0.90 0.29 0.00 0.02 0.00 0.00 56.10 55.49 3gur s TRP 146 Cb 0.13 -0.63 1.63 0.00 -1.15 0.00 0.00 33.47 33.46 3gur s TRP 146 CO 0.76 -0.10 2.15 0.74 0.02 0.00 0.00 176.95 180.52 3gur h PHE 147 N 2.80 0.00 0.00 -1.98 0.04 -1.89 -0.90 116.94 115.02 3gur h PHE 147 Ca -0.36 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.41 3gur h PHE 147 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 3gur h PHE 147 CO 0.59 0.07 -0.97 1.28 -0.60 0.00 0.00 178.31 178.68 3gur n LEU 148 N -3.68 0.75 0.00 1.54 4.77 -1.26 -4.94 117.00 114.18 3gur n LEU 148 Ca -0.02 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 3gur n LEU 148 Cb 0.17 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3gur n LEU 148 CO 0.28 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3gur n GLY 149 N 1.46 0.55 0.13 -0.72 0.00 -0.34 -4.87 105.19 101.39 3gur n GLY 149 Ca 0.03 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 45.19 3gur n GLY 149 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gur n ASP 150 N 0.00 0.63 -4.22 1.61 8.00 -1.26 -1.30 116.55 120.01 3gur n ASP 150 Ca 0.00 0.67 -0.30 0.00 0.71 0.00 0.00 54.79 55.87 3gur n ASP 150 Cb 0.00 -0.80 -0.16 0.00 -0.02 0.00 0.00 41.12 40.14 3gur n ASP 150 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3gur s LYS 151 N -3.33 2.39 0.16 -1.24 -2.85 -1.26 -4.81 119.74 108.79 3gur s LYS 151 Ca 0.04 -0.81 -0.30 0.00 -1.00 0.00 0.00 55.97 53.90 3gur s LYS 151 Cb 0.09 -2.00 -0.07 0.00 -2.06 0.00 0.00 37.83 33.79 3gur s LYS 151 CO 0.37 0.31 1.13 -1.50 0.10 0.00 0.00 175.35 175.75 3gur s ILE 152 N -0.02 3.86 0.38 3.79 2.07 -1.26 -4.53 121.20 125.49 3gur s ILE 152 Ca -0.06 1.55 0.04 0.00 -1.41 0.00 0.00 60.65 60.77 3gur s ILE 152 Cb -0.14 -3.99 -0.04 0.00 0.13 0.00 0.00 42.46 38.42 3gur s ILE 152 CO 0.04 0.24 0.10 0.42 -1.91 0.00 0.00 174.94 173.83 3gur s THR 153 N -0.00 0.78 0.54 4.00 -4.23 -1.26 -4.75 115.64 110.73 3gur s THR 153 Ca 0.51 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.24 3gur s THR 153 Cb -0.30 -2.49 0.31 0.00 1.34 0.00 0.00 72.50 71.36 3gur s THR 153 CO 0.34 0.00 2.15 2.19 -0.54 0.00 0.00 174.62 178.76 3gur h PHE 154 N 1.91 0.00 0.00 3.99 -0.00 -1.62 -1.84 116.94 119.38 3gur h PHE 154 Ca -0.37 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 57.56 3gur h PHE 154 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.21 3gur h PHE 154 CO 1.17 0.00 -0.18 -0.24 -0.00 0.00 0.00 178.31 179.06 3gur h VAL 155 N 0.00 0.70 0.00 0.88 3.04 -1.95 -1.27 116.25 117.65 3gur h VAL 155 Ca 0.04 -0.76 -0.07 0.00 -1.01 0.00 0.00 66.70 64.89 3gur h VAL 155 Cb 0.17 1.48 -0.01 0.00 -2.01 0.00 0.00 31.29 30.92 3gur h VAL 155 CO -0.00 0.18 -0.35 0.44 -1.01 0.00 0.00 177.57 176.83 3gur h ASP 156 N 0.00 0.00 0.09 3.17 3.32 -1.74 -0.56 116.42 120.69 3gur h ASP 156 Ca -0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 3gur h ASP 156 Cb 0.46 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3gur h ASP 156 CO 0.02 0.35 -0.56 -0.26 -1.72 0.00 0.00 179.24 177.08 3gur h PHE 157 N 0.00 0.62 -0.04 4.55 -1.00 -1.35 0.92 116.94 120.64 3gur h PHE 157 Ca -0.00 -0.22 -0.01 0.00 2.81 0.00 0.00 57.97 60.54 3gur h PHE 157 Cb 0.73 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 40.17 3gur h PHE 157 CO 0.00 0.94 -0.01 0.82 -1.61 0.00 0.00 178.31 178.45 3gur h ILE 158 N 0.38 1.29 -0.62 -0.55 2.04 -1.34 -2.98 117.51 115.73 3gur h ILE 158 Ca 0.01 -0.88 0.06 0.00 1.00 0.00 0.00 64.86 65.05 3gur h ILE 158 Cb 1.09 1.79 -0.06 0.00 -0.74 0.00 0.00 36.82 38.90 3gur h ILE 158 CO 0.10 0.24 0.32 0.00 0.00 0.00 0.00 178.15 178.81 3gur h ALA 159 N 0.66 0.82 0.28 1.87 0.00 -1.02 -1.26 119.26 120.62 3gur h ALA 159 Ca 0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gur h ALA 159 Cb 0.38 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3gur h ALA 159 CO 0.00 -0.03 -0.25 -0.92 0.00 0.00 0.00 179.25 178.05 3gur h TYR 160 N 0.59 -0.66 -0.14 0.00 3.20 -0.86 0.12 116.97 119.22 3gur h TYR 160 Ca 0.29 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.19 3gur h TYR 160 Cb 0.22 0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 3gur h TYR 160 CO -0.10 -0.37 -0.09 0.22 -1.64 0.00 0.00 178.16 176.18 3gur h ASP 161 N -0.55 -0.30 -0.25 -2.11 3.58 -1.32 0.22 116.42 115.69 3gur h ASP 161 Ca -0.01 0.07 -0.07 0.00 0.42 0.00 0.00 57.03 57.43 3gur h ASP 161 Cb 0.50 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 3gur h ASP 161 CO -0.04 -0.12 -0.12 0.58 -2.88 0.00 0.00 179.24 176.66 3gur h VAL 162 N -0.10 1.30 -0.52 2.25 2.07 -1.16 -1.28 116.25 118.81 3gur h VAL 162 Ca 0.08 -1.20 -0.10 0.00 0.82 0.00 0.00 66.70 66.31 3gur h VAL 162 Cb 0.22 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3gur h VAL 162 CO -0.20 0.37 -0.06 -0.07 0.02 0.00 0.00 177.57 177.64 3gur h LEU 163 N 0.25 0.96 -0.69 2.57 3.38 -0.65 -2.83 115.31 118.29 3gur h LEU 163 Ca 0.06 -0.33 -0.14 0.00 0.09 0.00 0.00 57.88 57.55 3gur h LEU 163 Cb 0.62 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3gur h LEU 163 CO 0.04 1.07 -0.53 -0.08 0.09 0.00 0.00 178.44 179.02 3gur h GLU 164 N 0.83 0.33 0.00 1.13 4.22 -0.53 -2.37 114.58 118.19 3gur h GLU 164 Ca 0.14 -0.20 -0.03 0.00 0.08 0.00 0.00 59.36 59.35 3gur h GLU 164 Cb 0.61 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 3gur h GLU 164 CO 0.04 0.78 -0.16 0.07 -2.18 0.00 0.00 179.01 177.57 3gur h ARG 165 N 0.26 0.00 -0.13 1.92 0.11 -1.21 -1.48 114.38 113.85 3gur h ARG 165 Ca 0.01 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.95 3gur h ARG 165 Cb 1.02 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.09 3gur h ARG 165 CO 0.09 0.16 -0.53 -0.91 0.10 0.00 0.00 179.97 178.87 3gur h ASN 166 N 0.00 0.40 -0.55 0.08 4.21 -1.24 -1.56 115.58 116.92 3gur h ASN 166 Ca -0.00 -0.20 -0.09 0.00 1.21 0.00 0.00 56.30 57.22 3gur h ASN 166 Cb 0.81 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.87 3gur h ASN 166 CO 0.02 0.85 0.02 -0.61 -1.29 0.00 0.00 177.43 176.42 3gur h GLN 167 N 0.28 0.99 -0.55 0.81 4.15 -0.89 -0.30 115.11 119.61 3gur h GLN 167 Ca 0.01 -0.29 -0.06 0.00 0.77 0.00 0.00 58.65 59.08 3gur h GLN 167 Cb 1.02 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.59 3gur h GLN 167 CO 0.09 0.96 0.11 0.28 -1.93 0.00 0.00 178.83 178.35 3gur h VAL 168 N 0.92 1.25 -0.59 2.39 2.07 -1.16 -1.36 116.25 119.77 3gur h VAL 168 Ca 0.17 -0.92 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 3gur h VAL 168 Cb 0.51 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3gur h VAL 168 CO 0.02 0.33 0.07 0.15 0.02 0.00 0.00 177.57 178.17 3gur h PHE 169 N 0.79 1.03 -1.85 1.57 3.57 -1.10 -3.40 116.94 117.56 3gur h PHE 169 Ca 0.17 -0.14 -0.32 0.00 3.53 0.00 0.00 57.97 61.21 3gur h PHE 169 Cb 0.37 -0.28 -0.30 0.00 2.79 0.00 0.00 35.95 38.53 3gur h PHE 169 CO 0.03 0.89 -0.65 -2.00 -2.23 0.00 0.00 178.31 174.34 3gur s GLU 170 N -5.13 0.63 0.49 1.11 2.56 -0.14 -5.05 118.70 113.17 3gur s GLU 170 Ca -0.11 -0.71 0.28 0.00 0.00 0.00 0.00 54.97 54.43 3gur s GLU 170 Cb 0.15 -0.61 1.35 0.00 2.00 0.00 0.00 34.13 37.01 3gur s GLU 170 CO 0.83 -1.18 1.84 -1.35 -0.56 0.00 0.00 175.26 174.84 3gur h PRO 171 N 7.18 0.15 -0.00 4.30 0.11 -1.47 0.15 132.00 142.41 3gur h PRO 171 Ca 0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3gur h PRO 171 Cb 1.07 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3gur h PRO 171 CO 0.20 0.10 -0.13 -1.13 -0.21 0.00 0.00 178.00 176.83 3gur n SER 172 N -4.37 0.43 0.32 -2.05 3.41 -1.26 -4.45 113.62 105.65 3gur n SER 172 Ca 0.22 -0.44 0.21 0.00 -0.26 0.00 0.00 58.87 58.61 3gur n SER 172 Cb 0.97 -0.09 1.09 0.00 -0.26 0.00 0.00 64.21 65.93 3gur n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gur n LEU 174 N -3.04 1.44 -0.22 0.00 4.77 -1.26 -4.59 117.00 114.09 3gur n LEU 174 Ca -0.02 -0.53 0.03 0.00 -0.03 0.00 0.00 56.01 55.45 3gur n LEU 174 Cb 0.12 -0.04 0.13 0.00 -2.33 0.00 0.00 43.42 41.29 3gur n LEU 174 CO 0.21 0.29 0.86 0.44 -1.33 0.00 0.00 177.39 177.86 3gur h ASP 175 N 1.34 -0.20 0.00 -1.43 3.32 -1.62 0.24 116.42 118.07 3gur h ASP 175 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3gur h ASP 175 Cb 0.62 0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.43 3gur h ASP 175 CO 0.00 -0.10 0.00 0.00 -1.72 0.00 0.00 179.24 177.42 3gur n ALA 176 N -2.77 2.39 -3.45 3.45 0.00 -1.26 -4.25 120.51 114.62 3gur n ALA 176 Ca 0.11 -0.10 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 3gur n ALA 176 Cb 0.39 -1.27 -0.09 0.00 0.00 0.00 0.00 19.45 18.49 3gur n ALA 176 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3gur n PHE 177 N -0.82 1.24 -0.21 0.00 3.72 0.84 -4.99 117.46 117.24 3gur n PHE 177 Ca 0.12 -3.80 0.09 0.00 -0.05 0.00 0.00 57.45 53.81 3gur n PHE 177 Cb 0.06 -0.30 0.37 0.00 -0.94 0.00 0.00 39.48 38.67 3gur n PHE 177 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3gur h PRO 178 N 4.76 0.69 0.00 -1.08 0.11 -1.74 -1.20 132.00 133.54 3gur h PRO 178 Ca 0.17 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.13 3gur h PRO 178 Cb 0.81 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.75 3gur h PRO 178 CO 0.58 0.46 -0.51 -2.95 -0.21 0.00 0.00 178.00 175.37 3gur h ASN 179 N 0.71 0.00 -0.12 -2.05 -1.07 -1.92 0.17 115.58 111.30 3gur h ASN 179 Ca 0.36 0.00 -0.19 0.00 0.07 0.00 0.00 56.30 56.54 3gur h ASN 179 Cb 0.45 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.71 3gur h ASN 179 CO -0.14 0.51 -0.66 -0.07 0.07 0.00 0.00 177.43 177.14 3gur h LEU 180 N 0.00 0.80 -0.41 6.14 3.38 -1.69 -0.00 115.31 123.52 3gur h LEU 180 Ca -0.01 -0.64 0.05 0.00 0.09 0.00 0.00 57.88 57.37 3gur h LEU 180 Cb 1.01 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 3gur h LEU 180 CO 0.07 1.31 0.16 0.50 0.09 0.00 0.00 178.44 180.57 3gur h LYS 181 N 0.34 0.32 -0.52 1.13 3.64 -1.04 -1.54 116.57 118.90 3gur h LYS 181 Ca -0.05 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 3gur h LYS 181 Cb 1.30 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 3gur h LYS 181 CO 0.14 0.21 0.18 -0.44 -2.27 0.00 0.00 179.45 177.27 3gur h ASP 182 N 0.33 0.70 -0.63 4.20 3.32 -0.66 -2.46 116.42 121.22 3gur h ASP 182 Ca 0.19 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 3gur h ASP 182 Cb 0.16 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3gur h ASP 182 CO -0.18 0.66 0.24 0.15 -1.72 0.00 0.00 179.24 178.39 3gur h PHE 183 N 0.75 0.97 -0.39 4.55 3.57 -0.34 0.51 116.94 126.57 3gur h PHE 183 Ca 0.18 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 3gur h PHE 183 Cb 0.20 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3gur h PHE 183 CO 0.01 0.78 0.16 0.82 -2.23 0.00 0.00 178.31 177.85 3gur h ILE 184 N 0.89 1.19 0.06 1.41 2.04 -1.08 -0.16 117.51 121.86 3gur h ILE 184 Ca 0.21 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.50 3gur h ILE 184 Cb 0.22 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3gur h ILE 184 CO -0.02 0.21 -0.08 0.28 0.00 0.00 0.00 178.15 178.55 3gur h SER 185 N 0.49 -0.21 -0.22 1.72 0.02 -1.19 -1.06 113.55 113.10 3gur h SER 185 Ca 0.13 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3gur h SER 185 Cb 0.17 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 3gur h SER 185 CO -0.01 -0.12 0.05 -0.09 -1.14 0.00 0.00 176.83 175.52 3gur h ARG 186 N -0.16 0.14 -0.29 3.45 2.43 -0.79 0.79 114.38 119.95 3gur h ARG 186 Ca 0.01 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3gur h ARG 186 Cb 0.17 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 3gur h ARG 186 CO -0.04 0.09 0.12 0.35 -1.51 0.00 0.00 179.97 178.99 3gur h PHE 187 N 0.14 0.23 0.00 2.20 3.57 -0.93 -2.49 116.94 119.66 3gur h PHE 187 Ca 0.10 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3gur h PHE 187 Cb 0.08 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.77 3gur h PHE 187 CO -0.14 0.12 0.00 0.93 -2.23 0.00 0.00 178.31 176.99 3gur h GLU 188 N 0.27 0.00 -0.00 1.11 5.08 -0.64 -2.98 114.58 117.41 3gur h GLU 188 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3gur h GLU 188 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3gur h GLU 188 CO -0.11 0.00 -0.47 0.41 -1.00 0.00 0.00 179.01 177.85 3gur n GLY 189 N 0.10 -0.97 3.70 -3.84 0.00 0.22 -3.72 105.19 100.68 3gur n GLY 189 Ca 0.02 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 3gur n GLY 189 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gur n LEU 190 N -1.17 3.58 -0.12 0.99 4.77 -1.11 -4.81 117.00 119.13 3gur n LEU 190 Ca 0.08 1.16 -0.08 0.00 -0.03 0.00 0.00 56.01 57.13 3gur n LEU 190 Cb 0.34 -1.49 -0.02 0.00 -2.33 0.00 0.00 43.42 39.92 3gur n LEU 190 CO 0.33 -0.29 0.63 -0.08 -1.33 0.00 0.00 177.39 176.65 3gur h GLU 191 N 4.11 -0.26 -0.14 3.23 4.81 -1.91 0.42 114.58 124.84 3gur h GLU 191 Ca -0.46 0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 58.58 3gur h GLU 191 Cb 1.26 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.71 3gur h GLU 191 CO 0.75 -0.17 -0.75 0.87 -0.73 0.00 0.00 179.01 178.97 3gur h LYS 192 N -0.27 0.67 -0.55 1.92 1.57 -1.94 -2.45 116.57 115.51 3gur h LYS 192 Ca 0.16 -0.54 0.01 0.00 -1.87 0.00 0.00 60.65 58.41 3gur h LYS 192 Cb 0.55 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 3gur h LYS 192 CO -0.54 1.15 0.36 0.82 -0.57 0.00 0.00 179.45 180.68 3gur h ILE 193 N 0.46 1.14 -0.08 1.86 1.08 -1.79 0.11 117.51 120.29 3gur h ILE 193 Ca -0.04 -0.26 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 3gur h ILE 193 Cb 1.36 0.33 -0.00 0.00 -3.07 0.00 0.00 36.82 35.44 3gur h ILE 193 CO 0.15 0.14 0.02 0.77 -0.69 0.00 0.00 178.15 178.53 3gur h SER 194 N 0.74 0.12 -0.37 1.72 4.64 -0.89 -0.25 113.55 119.26 3gur h SER 194 Ca 0.20 -0.24 0.08 0.00 -0.47 0.00 0.00 61.79 61.36 3gur h SER 194 Cb -0.09 -0.03 -0.09 0.00 -0.31 0.00 0.00 62.40 61.89 3gur h SER 194 CO -0.04 0.33 -0.25 0.00 -0.87 0.00 0.00 176.83 175.99 3gur h ALA 195 N 0.80 -0.03 -0.74 5.18 0.00 -1.27 -1.39 119.26 121.80 3gur h ALA 195 Ca 0.02 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.14 3gur h ALA 195 Cb 0.26 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 3gur h ALA 195 CO 0.00 -0.63 0.40 -0.92 0.00 0.00 0.00 179.25 178.10 3gur h TYR 196 N -0.19 0.72 0.00 0.00 3.20 -0.60 -1.71 116.97 118.39 3gur h TYR 196 Ca 0.18 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3gur h TYR 196 Cb 0.48 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.53 3gur h TYR 196 CO -0.46 0.29 0.00 0.52 -1.64 0.00 0.00 178.16 176.87 3gur h MET 197 N 0.69 0.00 0.00 1.82 2.86 0.01 -2.48 114.93 117.83 3gur h MET 197 Ca 0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 3gur h MET 197 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 3gur h MET 197 CO -0.24 0.00 -1.50 1.63 1.06 0.00 0.00 176.91 177.86 3gur n LYS 198 N -2.58 0.43 -1.80 1.72 5.02 -0.76 -4.90 118.16 115.28 3gur n LYS 198 Ca 0.01 -0.10 -0.30 0.00 -2.02 0.00 0.00 58.31 55.90 3gur n LYS 198 Cb 0.23 -1.49 0.18 0.00 -0.02 0.00 0.00 35.03 33.93 3gur n LYS 198 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3gur s SER 199 N -3.73 3.01 0.06 4.39 1.04 -0.71 -5.00 113.70 112.76 3gur s SER 199 Ca -0.00 0.41 0.25 0.00 0.48 0.00 0.00 55.95 57.09 3gur s SER 199 Cb 0.15 -0.56 0.60 0.00 0.10 0.00 0.00 66.02 66.31 3gur s SER 199 CO 0.87 -2.81 1.50 -1.54 0.98 0.00 0.00 173.24 172.24 3gur n SER 200 N -3.84 0.52 0.26 7.02 3.41 -1.26 -3.56 113.62 116.16 3gur n SER 200 Ca 0.14 0.10 0.16 0.00 -0.26 0.00 0.00 58.87 59.01 3gur n SER 200 Cb 0.60 -0.02 0.62 0.00 -0.26 0.00 0.00 64.21 65.15 3gur n SER 200 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3gur h ARG 201 N 0.00 0.00 -6.76 4.33 3.08 -1.95 -3.45 114.38 109.63 3gur h ARG 201 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3gur h ARG 201 Cb 0.61 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.72 3gur h ARG 201 CO 0.00 0.00 0.76 0.12 -1.07 0.00 0.00 179.97 179.78 3gur s PHE 202 N -3.59 2.99 -0.41 3.04 5.36 -1.23 -4.99 117.98 119.14 3gur s PHE 202 Ca 0.02 1.04 0.05 0.00 -0.96 0.00 0.00 56.93 57.08 3gur s PHE 202 Cb 0.09 -3.83 0.19 0.00 -0.34 0.00 0.00 43.02 39.12 3gur s PHE 202 CO 0.55 -2.67 0.39 -0.11 -1.46 0.00 0.00 175.22 171.92 3gur n LEU 203 N 2.16 -0.52 0.21 6.12 7.94 -1.26 -4.97 117.00 126.68 3gur n LEU 203 Ca 0.06 -4.36 0.12 0.00 -1.11 0.00 0.00 56.01 50.72 3gur n LEU 203 Cb 0.40 0.58 0.19 0.00 0.53 0.00 0.00 43.42 45.12 3gur n LEU 203 CO 0.61 1.90 0.82 1.55 -1.11 0.00 0.00 177.39 181.15 3gur h PRO 204 N 5.31 0.00 -4.75 1.96 0.13 -1.97 -3.38 132.00 129.30 3gur h PRO 204 Ca 0.22 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 65.06 3gur h PRO 204 Cb 0.91 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.84 3gur h PRO 204 CO 0.37 0.00 -0.74 1.03 -0.23 0.00 0.00 178.00 178.43 3gur s ARG 205 N -3.20 0.64 0.57 0.86 1.81 -1.26 -4.44 118.95 113.92 3gur s ARG 205 Ca 0.07 -0.89 -0.17 0.00 -1.72 0.00 0.00 55.73 53.02 3gur s ARG 205 Cb 0.06 -0.40 -0.05 0.00 -0.45 0.00 0.00 34.95 34.11 3gur s ARG 205 CO 0.66 0.07 1.07 -2.14 -0.68 0.00 0.00 175.30 174.28 3gur s PRO 206 N -1.95 3.38 -0.03 3.54 0.02 -1.25 -4.67 135.00 134.04 3gur s PRO 206 Ca -0.05 1.33 -0.26 0.00 0.02 0.00 0.00 61.00 62.05 3gur s PRO 206 Cb -0.08 -2.03 -0.21 0.00 0.02 0.00 0.00 34.50 32.20 3gur s PRO 206 CO 0.00 -0.77 1.19 0.28 -0.33 0.00 0.00 177.00 177.37 3gur h VAL 207 N 0.80 1.45 -4.32 3.83 2.07 -1.76 0.89 116.25 119.20 3gur h VAL 207 Ca -0.48 -1.36 -0.14 0.00 0.82 0.00 0.00 66.70 65.54 3gur h VAL 207 Cb 1.23 2.34 -0.02 0.00 -1.52 0.00 0.00 31.29 33.32 3gur h VAL 207 CO 0.57 0.36 -0.09 0.49 0.02 0.00 0.00 177.57 178.92 3gur n PHE 208 N -4.78 -0.42 -2.17 1.57 3.72 -0.72 -0.39 117.46 114.27 3gur n PHE 208 Ca -0.09 -0.55 -0.26 0.00 -0.05 0.00 0.00 57.45 56.50 3gur n PHE 208 Cb 0.30 -0.09 0.08 0.00 -0.94 0.00 0.00 39.48 38.83 3gur n PHE 208 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3gur s THR 209 N -1.06 2.23 0.66 4.37 -4.23 -1.26 -4.63 115.64 111.71 3gur s THR 209 Ca 0.03 -0.24 0.37 0.00 -1.18 0.00 0.00 61.69 60.67 3gur s THR 209 Cb -0.00 -2.98 0.37 0.00 1.34 0.00 0.00 72.50 71.23 3gur s THR 209 CO 0.02 0.00 2.14 0.11 -0.54 0.00 0.00 174.62 176.35 3gur h LYS 210 N -0.70 0.00 0.00 3.99 1.57 -1.90 -0.93 116.57 118.60 3gur h LYS 210 Ca -0.44 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3gur h LYS 210 Cb 1.31 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.62 3gur h LYS 210 CO 0.59 0.00 -0.02 0.52 -0.57 0.00 0.00 179.45 179.97 3gur h MET 211 N 0.00 0.00 -6.83 3.15 2.86 -1.94 -3.46 114.93 108.71 3gur h MET 211 Ca 0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 3gur h MET 211 Cb 0.34 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.02 3gur h MET 211 CO 0.00 0.02 0.49 0.00 1.06 0.00 0.00 176.91 178.48 3gur s ALA 212 N -3.60 3.38 0.01 6.32 0.00 -0.35 -4.90 121.76 122.61 3gur s ALA 212 Ca 0.02 0.93 -0.25 0.00 0.00 0.00 0.00 51.96 52.66 3gur s ALA 212 Cb 0.08 -3.34 -0.17 0.00 0.00 0.00 0.00 23.12 19.69 3gur s ALA 212 CO 0.57 -0.24 1.27 0.28 0.00 0.00 0.00 175.76 177.64 3gur h VAL 213 N 2.98 0.84 -3.14 0.00 2.07 -1.31 -3.39 116.25 114.29 3gur h VAL 213 Ca -0.47 -0.66 -0.61 0.00 0.82 0.00 0.00 66.70 65.78 3gur h VAL 213 Cb 1.21 1.21 -0.09 0.00 -1.52 0.00 0.00 31.29 32.10 3gur h VAL 213 CO 0.66 0.14 -0.37 0.86 0.02 0.00 0.00 177.57 178.88 3gur s TRP 214 N -4.69 3.50 0.00 1.57 -0.00 -1.09 -4.64 118.94 113.60 3gur s TRP 214 Ca -0.14 0.57 0.00 0.00 -0.00 0.00 0.00 56.10 56.53 3gur s TRP 214 Cb 0.02 -2.23 0.00 0.00 -0.00 0.00 0.00 33.47 31.27 3gur s TRP 214 CO 0.58 0.38 0.00 0.41 -0.00 0.00 0.00 176.95 178.32 3gur n GLY 215 N 2.99 0.85 0.04 5.86 0.00 -1.26 -4.80 105.19 108.88 3gur n GLY 215 Ca -0.14 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.55 3gur n GLY 215 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3gur n ASN 216 N 0.83 0.71 -0.17 1.61 6.94 -1.26 -1.76 115.26 122.16 3gur n ASN 216 Ca 0.00 -0.52 0.02 0.00 -0.02 0.00 0.00 54.58 54.06 3gur n ASN 216 Cb 0.04 0.40 0.02 0.00 -2.36 0.00 0.00 39.78 37.88 3gur n ASN 216 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52