#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 3.35 -0.11 0.54 0.23 -1.03 -4.82 119.30 117.47 3gur s MET 2 Ca 0.00 0.39 0.03 0.00 -1.03 0.00 0.00 55.69 55.08 3gur s MET 2 Cb 0.00 -2.21 0.00 0.00 -1.53 0.00 0.00 34.83 31.10 3gur s MET 2 CO 0.00 -0.54 -0.23 0.99 -2.03 0.00 0.00 175.02 173.22 3gur s THR 3 N -3.02 1.99 -0.29 3.16 2.01 -0.27 -0.85 115.64 118.37 3gur s THR 3 Ca 0.53 -0.97 -0.09 0.00 0.31 0.00 0.00 61.69 61.47 3gur s THR 3 Cb -0.11 -1.74 -0.01 0.00 0.01 0.00 0.00 72.50 70.65 3gur s THR 3 CO 0.49 0.54 0.12 -0.22 -0.69 0.00 0.00 174.62 174.86 3gur s LEU 4 N 0.51 3.88 -0.24 4.42 2.96 -0.51 -1.15 118.68 128.54 3gur s LEU 4 Ca -0.15 -0.43 -0.10 0.00 -0.22 0.00 0.00 54.13 53.23 3gur s LEU 4 Cb -0.17 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 3gur s LEU 4 CO 0.05 -0.14 0.14 -0.83 -1.32 0.00 0.00 176.35 174.25 3gur s GLY 5 N 1.61 1.95 0.28 7.98 0.00 0.28 -0.97 107.32 118.44 3gur s GLY 5 Ca 0.05 -0.91 -0.15 0.00 0.00 0.00 0.00 44.72 43.70 3gur s GLY 5 CO 0.05 0.39 0.59 -0.47 0.00 0.00 0.00 173.10 173.66 3gur s TYR 6 N 1.09 0.19 0.55 1.90 5.04 -0.77 -1.36 117.35 124.00 3gur s TYR 6 Ca 0.07 -0.61 -0.21 0.00 -2.44 0.00 0.00 57.07 53.88 3gur s TYR 6 Cb -0.14 0.42 -0.05 0.00 0.35 0.00 0.00 41.96 42.55 3gur s TYR 6 CO 0.04 -1.15 1.26 -1.58 -1.34 0.00 0.00 175.55 172.79 3gur s TRP 7 N -3.74 2.42 -0.50 4.97 0.23 -1.26 -0.77 118.94 120.29 3gur s TRP 7 Ca 0.18 1.46 -0.05 0.00 -2.03 0.00 0.00 56.10 55.66 3gur s TRP 7 Cb -0.03 -3.60 -0.13 0.00 0.03 0.00 0.00 33.47 29.74 3gur s TRP 7 CO 0.09 -2.39 2.47 -1.71 0.96 0.00 0.00 176.95 176.37 3gur n ASN 8 N -1.18 4.59 -3.53 2.95 5.15 -0.20 -4.67 115.26 118.37 3gur n ASN 8 Ca 0.11 -2.26 -0.18 0.00 -0.60 0.00 0.00 54.58 51.65 3gur n ASN 8 Cb 0.47 -1.07 -0.09 0.00 -0.53 0.00 0.00 39.78 38.57 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 2.32 0.01 -0.02 -1.44 -4.36 -1.26 -4.72 121.20 111.72 3gur s ILE 9 Ca 0.46 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.81 3gur s ILE 9 Cb 0.17 -2.50 -0.02 0.00 1.25 0.00 0.00 42.46 41.36 3gur s ILE 9 CO -0.02 0.00 0.32 -0.09 0.24 0.00 0.00 174.94 175.39 3gur h ARG 10 N 2.23 -0.12 0.00 0.37 2.43 -0.87 -3.46 114.38 114.95 3gur h ARG 10 Ca -0.27 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3gur h ARG 10 Cb 1.24 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3gur h ARG 10 CO 0.40 -0.08 0.00 0.41 -1.51 0.00 0.00 179.97 179.18 3gur n GLY 11 N 1.08 2.98 0.58 2.80 0.00 -0.42 -1.97 105.19 110.24 3gur n GLY 11 Ca -0.02 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.11 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 1.82 -0.62 0.99 4.32 -1.26 -3.89 117.00 118.35 3gur n LEU 12 Ca 0.00 -0.61 0.12 0.00 -0.02 0.00 0.00 56.01 55.50 3gur n LEU 12 Cb 0.00 -0.00 0.18 0.00 -1.62 0.00 0.00 43.42 41.98 3gur n LEU 12 CO 0.00 0.30 0.57 0.00 -1.22 0.00 0.00 177.39 177.05 3gur n ALA 13 N 0.42 2.92 0.43 -1.18 0.00 -0.83 -4.51 120.51 117.75 3gur n ALA 13 Ca 0.18 -0.59 -0.18 0.00 0.00 0.00 0.00 53.44 52.85 3gur n ALA 13 Cb 0.41 -0.92 -0.09 0.00 0.00 0.00 0.00 19.45 18.85 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 3.07 -1.01 -0.68 0.00 6.17 -1.60 0.21 115.15 121.31 3gur h HIS 14 Ca 0.00 -0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.04 3gur h HIS 14 Cb 0.76 0.33 -0.03 0.00 2.52 0.00 0.00 27.41 30.99 3gur h HIS 14 CO 0.00 -0.62 0.35 0.66 0.71 0.00 0.00 177.93 179.03 3gur h SER 15 N -1.21 0.85 0.44 3.26 4.64 -1.81 -1.06 113.55 118.66 3gur h SER 15 Ca -0.11 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 3gur h SER 15 Cb 0.84 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 3gur h SER 15 CO 0.18 0.71 -0.28 0.40 -0.87 0.00 0.00 176.83 176.97 3gur h ILE 16 N 0.95 0.43 -0.92 0.95 2.04 -1.76 0.07 117.51 119.27 3gur h ILE 16 Ca 0.24 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.18 3gur h ILE 16 Cb 0.06 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.51 3gur h ILE 16 CO -0.03 0.00 0.60 0.03 0.00 0.00 0.00 178.15 178.74 3gur h ARG 17 N -0.68 0.96 -0.07 2.37 3.08 -0.13 0.40 114.38 120.30 3gur h ARG 17 Ca -0.05 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3gur h ARG 17 Cb 0.56 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 3gur h ARG 17 CO 0.04 0.64 0.02 -0.07 -1.07 0.00 0.00 179.97 179.54 3gur h LEU 18 N 0.99 0.11 -0.94 3.04 3.38 -1.02 -2.30 115.31 118.57 3gur h LEU 18 Ca 0.41 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3gur h LEU 18 Cb 0.30 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3gur h LEU 18 CO -0.17 0.28 0.57 0.25 0.09 0.00 0.00 178.44 179.45 3gur h LEU 19 N -0.07 1.13 -0.78 1.67 5.85 -0.40 0.89 115.31 123.60 3gur h LEU 19 Ca 0.02 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3gur h LEU 19 Cb 0.21 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 3gur h LEU 19 CO -0.00 0.87 0.51 -0.07 -0.34 0.00 0.00 178.44 179.40 3gur h LEU 20 N 1.29 0.85 -0.30 2.25 3.38 -0.86 -2.34 115.31 119.59 3gur h LEU 20 Ca 0.34 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 58.10 3gur h LEU 20 Cb -0.06 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3gur h LEU 20 CO -0.06 0.60 -0.65 -0.33 0.09 0.00 0.00 178.44 178.09 3gur h GLU 21 N 1.01 0.75 0.00 1.13 4.39 -0.80 -0.03 114.58 121.02 3gur h GLU 21 Ca 0.30 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 59.47 3gur h GLU 21 Cb -0.04 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3gur h GLU 21 CO -0.09 1.15 0.00 -0.92 -1.16 0.00 0.00 179.01 177.99 3gur h TYR 22 N 0.54 0.00 -0.01 4.33 3.20 -0.50 -2.59 116.97 121.94 3gur h TYR 22 Ca -0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3gur h TYR 22 Cb 1.25 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.52 3gur h TYR 22 CO 0.07 0.00 -0.14 2.41 -1.64 0.00 0.00 178.16 178.86 3gur n THR 23 N -3.00 0.00 -3.84 1.81 -1.04 -0.91 -4.93 114.28 102.37 3gur n THR 23 Ca -0.01 -0.43 -0.26 0.00 -2.04 0.00 0.00 64.05 61.31 3gur n THR 23 Cb 0.19 1.22 0.02 0.00 -1.82 0.00 0.00 70.33 69.94 3gur n THR 23 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3gur n ASP 24 N 0.26 -2.85 -4.78 8.00 8.00 -0.98 -4.96 116.55 119.24 3gur n ASP 24 Ca 0.07 -0.83 -0.37 0.00 0.71 0.00 0.00 54.79 54.37 3gur n ASP 24 Cb 0.31 -3.84 -0.05 0.00 -0.02 0.00 0.00 41.12 37.52 3gur n ASP 24 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3gur s SER 25 N -3.84 7.13 -0.53 -2.24 0.01 -0.04 -5.01 113.70 109.20 3gur s SER 25 Ca 0.34 1.96 -0.22 0.00 1.31 0.00 0.00 55.95 59.33 3gur s SER 25 Cb -0.17 -2.59 0.05 0.00 0.21 0.00 0.00 66.02 63.52 3gur s SER 25 CO 0.83 -0.22 0.82 -0.55 0.41 0.00 0.00 173.24 174.53 3gur s SER 26 N -1.50 6.31 0.02 2.44 0.15 -1.26 -4.85 113.70 115.00 3gur s SER 26 Ca 0.52 -0.52 -0.04 0.00 0.70 0.00 0.00 55.95 56.62 3gur s SER 26 Cb -0.21 -2.38 -0.01 0.00 -1.71 0.00 0.00 66.02 61.70 3gur s SER 26 CO 0.27 -1.08 0.05 -0.72 1.20 0.00 0.00 173.24 172.96 3gur s TYR 27 N 3.43 0.19 0.37 3.44 1.13 -1.26 -2.45 117.35 122.20 3gur s TYR 27 Ca 0.25 -0.42 0.08 0.00 -1.41 0.00 0.00 57.07 55.57 3gur s TYR 27 Cb -0.15 -0.14 -0.04 0.00 -1.10 0.00 0.00 41.96 40.52 3gur s TYR 27 CO 0.17 -0.27 0.17 -1.21 -2.51 0.00 0.00 175.55 171.90 3gur s GLU 28 N -1.80 2.33 -0.11 -3.49 2.02 -0.03 -4.93 118.70 112.69 3gur s GLU 28 Ca -0.12 -1.65 0.02 0.00 0.02 0.00 0.00 54.97 53.24 3gur s GLU 28 Cb -0.06 -2.12 0.01 0.00 0.10 0.00 0.00 34.13 32.06 3gur s GLU 28 CO -0.01 0.01 -0.16 -1.21 0.02 0.00 0.00 175.26 173.90 3gur s GLU 29 N -3.89 2.28 -0.45 1.61 2.02 -1.26 -1.43 118.70 117.57 3gur s GLU 29 Ca 0.40 -0.59 -0.21 0.00 0.02 0.00 0.00 54.97 54.59 3gur s GLU 29 Cb -0.00 -1.91 0.03 0.00 0.10 0.00 0.00 34.13 32.34 3gur s GLU 29 CO 0.23 -0.04 0.70 0.21 0.02 0.00 0.00 175.26 176.37 3gur s LYS 30 N 0.93 3.30 -0.20 1.61 2.47 -0.15 -4.95 119.74 122.75 3gur s LYS 30 Ca -0.08 -0.34 -0.09 0.00 -1.56 0.00 0.00 55.97 53.90 3gur s LYS 30 Cb -0.15 -3.97 -0.04 0.00 -1.46 0.00 0.00 37.83 32.21 3gur s LYS 30 CO -0.01 -1.08 0.10 0.15 0.16 0.00 0.00 175.35 174.67 3gur s LYS 31 N 2.99 4.05 -0.12 4.03 1.02 -1.26 -1.85 119.74 128.60 3gur s LYS 31 Ca 0.24 -0.30 -0.03 0.00 0.02 0.00 0.00 55.97 55.91 3gur s LYS 31 Cb -0.14 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.80 3gur s LYS 31 CO 0.19 0.23 -0.01 0.71 -0.92 0.00 0.00 175.35 175.55 3gur s TYR 32 N 0.54 3.09 -0.19 3.18 1.51 0.05 -4.84 117.35 120.69 3gur s TYR 32 Ca 0.05 -0.03 -0.08 0.00 -1.01 0.00 0.00 57.07 56.00 3gur s TYR 32 Cb -0.12 -1.88 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 3gur s TYR 32 CO 0.00 0.22 0.08 0.99 -1.11 0.00 0.00 175.55 175.73 3gur s THR 33 N -0.23 4.93 0.04 -0.71 2.01 -1.26 -1.04 115.64 119.39 3gur s THR 33 Ca 0.05 0.02 -0.11 0.00 0.31 0.00 0.00 61.69 61.96 3gur s THR 33 Cb -0.13 -3.23 -0.06 0.00 0.01 0.00 0.00 72.50 69.10 3gur s THR 33 CO 0.02 0.45 0.38 -0.32 -0.69 0.00 0.00 174.62 174.47 3gur s MET 34 N 0.40 3.79 0.80 4.92 1.75 -1.26 -4.65 119.30 125.04 3gur s MET 34 Ca 0.04 0.23 -0.11 0.00 -1.25 0.00 0.00 55.69 54.60 3gur s MET 34 Cb -0.12 -3.09 0.08 0.00 2.84 0.00 0.00 34.83 34.54 3gur s MET 34 CO -0.00 0.62 1.12 0.20 -0.65 0.00 0.00 175.02 176.31 3gur s GLY 35 N -1.48 1.77 1.01 2.11 0.00 0.59 -4.85 107.32 106.46 3gur s GLY 35 Ca 0.28 0.43 -0.12 0.00 0.00 0.00 0.00 44.72 45.31 3gur s GLY 35 CO 0.15 0.80 1.08 0.99 0.00 0.00 0.00 173.10 176.12 3gur s ASP 36 N -3.03 2.44 0.41 1.64 1.01 -1.26 -3.83 116.67 114.05 3gur s ASP 36 Ca 0.64 1.45 -0.25 0.00 0.71 0.00 0.00 52.55 55.11 3gur s ASP 36 Cb -0.20 -2.13 -0.08 0.00 1.01 0.00 0.00 42.92 41.51 3gur s ASP 36 CO 0.55 -3.28 1.15 0.00 0.21 0.00 0.00 175.17 173.79 3gur s ALA 37 N -2.79 3.12 -0.22 5.23 0.00 -1.26 0.12 121.76 125.97 3gur s ALA 37 Ca 0.66 0.92 0.22 0.00 0.00 0.00 0.00 51.96 53.76 3gur s ALA 37 Cb -0.20 -3.36 -0.21 0.00 0.00 0.00 0.00 23.12 19.35 3gur s ALA 37 CO 0.59 -0.49 0.71 -0.35 0.00 0.00 0.00 175.76 176.22 3gur n PRO 38 N -0.00 0.56 -0.12 0.00 -0.04 -1.26 -4.83 135.00 129.30 3gur n PRO 38 Ca 0.05 -0.09 -0.13 0.00 -0.04 0.00 0.00 63.50 63.29 3gur n PRO 38 Cb 0.47 -1.60 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 3gur n PRO 38 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3gur h ASP 39 N 0.00 0.98 -5.96 3.54 3.45 -1.90 -3.48 116.42 113.05 3gur h ASP 39 Ca 0.00 -0.46 -0.37 0.00 0.43 0.00 0.00 57.03 56.63 3gur h ASP 39 Cb 0.93 -0.27 0.12 0.00 -0.56 0.00 0.00 39.33 39.55 3gur h ASP 39 CO 0.00 1.23 -0.91 -1.22 -1.57 0.00 0.00 179.24 176.77 3gur n TYR 40 N -4.10 -2.10 -1.67 4.55 4.01 0.12 -4.88 117.16 113.08 3gur n TYR 40 Ca -0.02 0.59 -0.46 0.00 -0.16 0.00 0.00 57.90 57.84 3gur n TYR 40 Cb 0.52 -3.67 -0.04 0.00 -0.31 0.00 0.00 39.34 35.85 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 -2.85 3.28 -0.83 7.72 2.03 -1.25 -4.48 116.55 120.17 3gur n ASP 41 Ca -0.08 1.04 0.08 0.00 0.52 0.00 0.00 54.79 56.35 3gur n ASP 41 Cb 0.60 -1.42 0.23 0.00 -0.72 0.00 0.00 41.12 39.80 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 4.50 2.95 0.02 -0.67 1.74 -1.26 0.22 116.66 124.16 3gur n ARG 42 Ca 0.19 -2.58 0.02 0.00 -0.77 0.00 0.00 57.85 54.71 3gur n ARG 42 Cb 0.30 -1.65 0.38 0.00 -1.02 0.00 0.00 32.46 30.46 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 1.94 0.43 -0.09 0.55 4.64 -1.90 -1.02 113.55 118.11 3gur h SER 43 Ca 0.00 -0.05 0.03 0.00 -0.47 0.00 0.00 61.79 61.30 3gur h SER 43 Cb 1.21 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3gur h SER 43 CO 0.15 0.42 0.07 -0.61 -0.87 0.00 0.00 176.83 175.99 3gur h GLN 44 N 0.47 0.00 0.02 4.77 4.15 -1.88 -1.50 115.11 121.14 3gur h GLN 44 Ca 0.12 0.00 -0.25 0.00 0.77 0.00 0.00 58.65 59.29 3gur h GLN 44 Cb 0.14 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 3gur h GLN 44 CO -0.01 0.00 -1.34 2.35 -1.93 0.00 0.00 178.83 177.90 3gur h TRP 45 N 0.00 0.08 -0.40 3.99 -0.00 -1.51 -3.38 115.95 114.73 3gur h TRP 45 Ca 0.04 -0.06 0.12 0.00 -0.00 0.00 0.00 58.89 58.99 3gur h TRP 45 Cb 0.18 -0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.33 3gur h TRP 45 CO 0.00 1.53 0.49 -0.07 -0.00 0.00 0.00 178.44 180.39 3gur h LEU 46 N -0.83 0.00 0.00 0.65 3.38 -1.41 -1.37 115.31 115.73 3gur h LEU 46 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3gur h LEU 46 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 3gur h LEU 46 CO -0.16 0.00 0.00 0.59 0.09 0.00 0.00 178.44 178.96 3gur n ASN 47 N -3.56 0.00 0.00 -0.43 3.02 -0.57 -3.84 115.26 109.87 3gur n ASN 47 Ca 0.07 -0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 3gur n ASN 47 Cb 0.66 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 3gur n ASN 47 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3gur n GLU 48 N -1.21 2.63 -0.30 3.52 2.13 -0.89 -4.83 120.64 121.69 3gur n GLU 48 Ca 0.11 0.00 0.12 0.00 0.66 0.00 0.00 57.16 58.05 3gur n GLU 48 Cb 0.14 -0.69 0.29 0.00 0.27 0.00 0.00 31.44 31.44 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 0.39 -0.68 5.31 3.64 -1.37 -1.11 116.57 122.75 3gur h LYS 49 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3gur h LYS 49 Cb 0.19 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3gur h LYS 49 CO 0.00 0.26 0.00 1.19 -2.27 0.00 0.00 179.45 178.63 3gur n PHE 50 N -5.05 1.07 -0.81 1.91 3.72 -1.26 -4.37 117.46 112.67 3gur n PHE 50 Ca 0.21 -0.53 0.08 0.00 -0.05 0.00 0.00 57.45 57.15 3gur n PHE 50 Cb 0.61 -0.07 0.14 0.00 -0.94 0.00 0.00 39.48 39.23 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 1.40 2.07 0.00 -1.08 5.02 -0.42 -4.58 118.16 120.56 3gur n LYS 51 Ca 0.24 -2.42 0.04 0.00 -2.02 0.00 0.00 58.31 54.15 3gur n LYS 51 Cb 0.68 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 34.24 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 -0.93 1.65 -0.12 -0.35 4.77 -1.24 -5.00 117.00 115.79 3gur n LEU 52 Ca 0.14 -0.99 -0.01 0.00 -0.03 0.00 0.00 56.01 55.12 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 0.05 0.33 -0.01 0.61 -1.33 0.00 0.00 177.39 177.03 3gur n GLY 53 N 0.49 0.46 3.73 -0.72 0.00 -1.26 -5.03 105.19 102.86 3gur n GLY 53 Ca 0.05 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.34 4.38 0.11 0.99 1.43 -1.26 -4.92 118.68 119.07 3gur s LEU 54 Ca 0.00 1.29 -0.18 0.00 -1.03 0.00 0.00 54.13 54.21 3gur s LEU 54 Cb 0.00 -3.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 3gur s LEU 54 CO 0.00 -0.05 1.65 0.44 0.23 0.00 0.00 176.35 178.62 3gur h ASP 55 N 6.25 0.42 -3.36 2.29 3.32 -1.96 -3.31 116.42 120.07 3gur h ASP 55 Ca -0.43 -0.17 -0.62 0.00 0.02 0.00 0.00 57.03 55.83 3gur h ASP 55 Cb 1.20 -0.11 -0.41 0.00 0.22 0.00 0.00 39.33 40.23 3gur h ASP 55 CO 0.73 0.48 -0.65 -0.36 -1.72 0.00 0.00 179.24 177.72 3gur s PHE 56 N -5.53 3.02 -0.03 4.55 0.40 -1.26 -5.08 117.98 114.06 3gur s PHE 56 Ca -0.13 -3.08 -0.37 0.00 -0.60 0.00 0.00 56.93 52.74 3gur s PHE 56 Cb 0.09 -2.44 -0.15 0.00 0.51 0.00 0.00 43.02 41.03 3gur s PHE 56 CO 0.73 -0.65 1.58 -2.30 0.70 0.00 0.00 175.22 175.29 3gur n PRO 57 N 2.51 1.50 -3.65 0.24 -0.02 -1.25 -4.83 135.00 129.50 3gur n PRO 57 Ca 0.16 0.55 -0.08 0.00 -2.02 0.00 0.00 63.50 62.11 3gur n PRO 57 Cb 0.36 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 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 1.97 -0.35 -0.04 2.55 3.84 -1.26 -5.08 114.94 116.57 3gur s ASN 58 Ca 0.88 -0.29 0.05 0.00 0.21 0.00 0.00 52.86 53.71 3gur s ASN 58 Cb -0.89 0.59 -0.00 0.00 -0.55 0.00 0.00 41.25 40.39 3gur s ASN 58 CO 0.51 -1.03 -0.18 -0.76 -2.79 0.00 0.00 177.10 172.85 3gur s LEU 59 N -2.81 1.94 0.69 3.21 1.43 -1.26 -3.83 118.68 118.05 3gur s LEU 59 Ca 0.07 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 3gur s LEU 59 Cb -0.03 -1.01 0.01 0.00 0.03 0.00 0.00 46.19 45.19 3gur s LEU 59 CO -0.02 0.17 1.07 -2.16 0.23 0.00 0.00 176.35 175.63 3gur s PRO 60 N 0.00 2.89 0.11 1.29 0.04 -1.26 -4.94 135.00 133.13 3gur s PRO 60 Ca -0.03 1.05 0.05 0.00 0.04 0.00 0.00 61.00 62.11 3gur s PRO 60 Cb -0.12 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 3gur s PRO 60 CO 0.02 -1.14 -0.13 1.52 0.04 0.00 0.00 177.00 177.31 3gur s TYR 61 N -2.89 1.29 -0.06 0.56 -0.85 -0.46 -3.90 117.35 111.03 3gur s TYR 61 Ca 0.60 -0.59 0.02 0.00 -0.52 0.00 0.00 57.07 56.58 3gur s TYR 61 Cb -0.15 -0.68 0.02 0.00 0.38 0.00 0.00 41.96 41.53 3gur s TYR 61 CO 0.51 0.10 -0.10 -1.17 -1.52 0.00 0.00 175.55 173.37 3gur s LEU 62 N -2.47 1.55 -0.17 -3.49 2.96 0.64 -0.55 118.68 117.14 3gur s LEU 62 Ca 0.08 -0.26 -0.07 0.00 -0.22 0.00 0.00 54.13 53.66 3gur s LEU 62 Cb -0.04 -0.74 -0.04 0.00 0.50 0.00 0.00 46.19 45.87 3gur s LEU 62 CO 0.02 0.00 0.06 -0.63 -1.32 0.00 0.00 176.35 174.48 3gur s ILE 63 N 0.78 4.75 -0.37 6.68 -1.09 -0.30 -0.51 121.20 131.13 3gur s ILE 63 Ca -0.13 -0.05 0.02 0.00 -2.23 0.00 0.00 60.65 58.27 3gur s ILE 63 Cb -0.15 -3.13 0.15 0.00 -1.58 0.00 0.00 42.46 37.75 3gur s ILE 63 CO 0.02 0.48 0.33 -0.62 -1.23 0.00 0.00 174.94 173.92 3gur s ASP 64 N 0.25 1.68 1.90 3.58 2.15 0.15 -1.11 116.67 125.26 3gur s ASP 64 Ca 0.04 -1.91 0.00 0.00 0.43 0.00 0.00 52.55 51.10 3gur s ASP 64 Cb -0.12 0.21 0.00 0.00 -0.30 0.00 0.00 42.92 42.71 3gur s ASP 64 CO 0.00 -0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 3gur n GLY 65 N 4.01 3.90 0.37 2.66 0.00 -1.26 -1.66 105.19 113.22 3gur n GLY 65 Ca 0.13 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 0.16 -3.58 2.61 -2.24 -1.26 -4.76 114.28 105.21 3gur n THR 66 Ca 0.00 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.14 3gur n THR 66 Cb 0.00 0.15 -0.11 0.00 -2.10 0.00 0.00 70.33 68.27 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 -1.84 3.21 -0.26 4.78 3.76 -0.66 -5.05 115.29 119.23 3gur s HIS 67 Ca 0.29 -0.39 0.02 0.00 -0.15 0.00 0.00 55.06 54.83 3gur s HIS 67 Cb 0.15 -2.43 0.07 0.00 1.11 0.00 0.00 32.58 31.47 3gur s HIS 67 CO 0.23 -0.42 -0.05 0.15 -0.85 0.00 0.00 174.74 173.81 3gur s LYS 68 N 1.67 1.73 -0.03 1.40 1.02 -1.26 0.29 119.74 124.56 3gur s LYS 68 Ca 0.05 -1.21 0.06 0.00 0.02 0.00 0.00 55.97 54.90 3gur s LYS 68 Cb -0.17 -2.72 -0.01 0.00 -0.52 0.00 0.00 37.83 34.40 3gur s LYS 68 CO 0.09 -0.66 -0.23 0.42 -0.92 0.00 0.00 175.35 174.05 3gur s ILE 69 N 1.26 1.86 0.49 2.17 1.01 0.33 -4.74 121.20 123.59 3gur s ILE 69 Ca -0.04 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.63 3gur s ILE 69 Cb -0.19 -1.56 -0.00 0.00 0.01 0.00 0.00 42.46 40.71 3gur s ILE 69 CO -0.07 0.52 0.02 0.35 0.00 0.00 0.00 174.94 175.76 3gur n THR 70 N 2.74 0.00 -1.55 2.92 -2.24 -1.26 -0.26 114.28 114.62 3gur n THR 70 Ca -0.17 -2.39 0.00 0.00 -2.27 0.00 0.00 64.05 59.22 3gur n THR 70 Cb 0.52 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 3gur n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gur n GLN 71 N -1.22 -2.89 -0.36 -0.78 1.13 -1.25 -4.40 117.38 107.61 3gur n GLN 71 Ca -0.19 2.30 0.06 0.00 -1.94 0.00 0.00 57.00 57.23 3gur n GLN 71 Cb 0.64 -2.55 0.22 0.00 0.11 0.00 0.00 30.24 28.66 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 2.30 0.94 -0.79 1.08 4.64 -1.92 -1.22 113.55 118.58 3gur h SER 72 Ca 0.00 0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 3gur h SER 72 Cb 0.00 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 61.90 3gur h SER 72 CO 0.00 0.52 0.39 0.78 -0.87 0.00 0.00 176.83 177.65 3gur h ASN 73 N 1.02 1.03 -0.38 4.97 2.35 -1.95 -1.65 115.58 120.98 3gur h ASN 73 Ca 0.48 -0.12 -0.15 0.00 -0.55 0.00 0.00 56.30 55.96 3gur h ASN 73 Cb 0.41 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3gur h ASN 73 CO -0.25 0.87 -0.34 0.00 -1.65 0.00 0.00 177.43 176.06 3gur h ALA 74 N 1.29 0.55 -0.36 -0.83 0.00 -1.50 -0.76 119.26 117.66 3gur h ALA 74 Ca 0.28 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3gur h ALA 74 Cb 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3gur h ALA 74 CO -0.04 0.62 0.20 0.82 0.00 0.00 0.00 179.25 180.86 3gur h ILE 75 N 0.71 1.13 0.21 0.00 2.04 -1.14 0.29 117.51 120.75 3gur h ILE 75 Ca 0.07 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3gur h ILE 75 Cb 0.93 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3gur h ILE 75 CO 0.09 0.13 -0.18 -0.07 0.00 0.00 0.00 178.15 178.12 3gur h LEU 76 N 0.46 -0.48 -1.95 1.44 3.38 -1.19 -2.07 115.31 114.90 3gur h LEU 76 Ca 0.13 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3gur h LEU 76 Cb 0.03 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3gur h LEU 76 CO -0.02 -0.28 -0.04 0.03 0.09 0.00 0.00 178.44 178.22 3gur h ARG 77 N -0.41 0.00 0.21 1.13 3.08 -0.92 0.06 114.38 117.52 3gur h ARG 77 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3gur h ARG 77 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3gur h ARG 77 CO -0.03 0.04 -0.10 -0.92 -1.07 0.00 0.00 179.97 177.89 3gur h TYR 78 N 0.00 -0.26 -0.65 3.04 3.20 -0.48 -2.06 116.97 119.76 3gur h TYR 78 Ca -0.00 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 3gur h TYR 78 Cb 0.08 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3gur h TYR 78 CO 0.00 0.10 0.25 0.82 -1.64 0.00 0.00 178.16 177.69 3gur h ILE 79 N -0.68 1.24 -0.48 1.81 2.04 -1.16 -2.77 117.51 117.50 3gur h ILE 79 Ca -0.03 -0.75 0.09 0.00 1.00 0.00 0.00 64.86 65.17 3gur h ILE 79 Cb 0.48 0.52 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 3gur h ILE 79 CO 0.05 0.30 0.04 0.00 0.00 0.00 0.00 178.15 178.53 3gur h ALA 80 N 1.10 0.49 -0.01 1.87 0.00 -1.03 -2.26 119.26 119.42 3gur h ALA 80 Ca 0.22 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 3gur h ALA 80 Cb 0.21 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3gur h ALA 80 CO -0.02 -0.36 -0.35 0.00 0.00 0.00 0.00 179.25 178.52 3gur h ARG 81 N 0.16 0.02 0.00 0.00 3.08 -1.21 0.62 114.38 117.04 3gur h ARG 81 Ca 0.24 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 3gur h ARG 81 Cb 0.35 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 3gur h ARG 81 CO -0.37 0.37 -0.10 -0.22 -1.07 0.00 0.00 179.97 178.59 3gur h LYS 82 N 0.02 0.00 0.00 0.04 3.64 -1.13 -3.12 116.57 116.02 3gur h LYS 82 Ca -0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 3gur h LYS 82 Cb 0.64 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.31 3gur h LYS 82 CO 0.05 0.10 -0.67 0.72 -2.27 0.00 0.00 179.45 177.38 3gur n HIS 83 N -3.61 0.00 -3.80 1.91 8.25 -0.74 -5.00 115.22 112.23 3gur n HIS 83 Ca -0.02 -1.00 -0.25 0.00 -0.26 0.00 0.00 57.72 56.19 3gur n HIS 83 Cb 0.22 -0.19 0.03 0.00 1.12 0.00 0.00 29.99 31.16 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 -0.47 -2.53 -1.76 0.41 5.15 -0.78 -4.89 115.26 110.39 3gur n ASN 84 Ca 0.13 -0.82 -0.19 0.00 -0.60 0.00 0.00 54.58 53.10 3gur n ASN 84 Cb 0.86 -3.93 0.09 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 -4.45 5.04 -4.58 1.20 4.77 0.13 -5.02 117.00 114.11 3gur n LEU 85 Ca -0.17 -4.38 -0.27 0.00 -0.03 0.00 0.00 56.01 51.16 3gur n LEU 85 Cb 0.62 -0.54 -0.11 0.00 -2.33 0.00 0.00 43.42 41.07 3gur n LEU 85 CO 0.72 1.75 -0.31 0.00 -1.33 0.00 0.00 177.39 178.22 3gur s GLY 87 N -3.65 1.50 -0.20 0.00 0.00 -1.26 -4.93 107.32 98.78 3gur s GLY 87 Ca 0.34 1.47 -0.20 0.00 0.00 0.00 0.00 44.72 46.33 3gur s GLY 87 CO 0.17 2.70 0.15 0.83 0.00 0.00 0.00 173.10 176.96 3gur h GLU 88 N 6.58 0.00 -7.37 2.90 5.08 -1.98 -3.42 114.58 116.37 3gur h GLU 88 Ca -0.43 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.47 3gur h GLU 88 Cb 1.20 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.54 3gur h GLU 88 CO 0.92 0.86 0.26 -1.54 -1.00 0.00 0.00 179.01 178.50 3gur s SER 89 N -6.70 4.57 0.10 1.42 1.04 -1.26 -4.89 113.70 107.99 3gur s SER 89 Ca -0.27 0.40 -0.22 0.00 0.48 0.00 0.00 55.95 56.34 3gur s SER 89 Cb 0.05 -0.95 -0.13 0.00 0.10 0.00 0.00 66.02 65.09 3gur s SER 89 CO 0.54 -1.77 1.74 -0.08 0.98 0.00 0.00 173.24 174.65 3gur h GLU 90 N -0.74 0.01 -0.42 4.02 4.57 -1.99 -1.00 114.58 119.03 3gur h GLU 90 Ca -0.44 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.71 3gur h GLU 90 Cb 1.30 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.87 3gur h GLU 90 CO 0.57 0.00 0.15 -0.22 -1.18 0.00 0.00 179.01 178.33 3gur h LYS 91 N 0.01 0.60 -0.13 1.92 3.64 -2.00 -1.91 116.57 118.70 3gur h LYS 91 Ca 0.02 -0.08 -0.18 0.00 -1.27 0.00 0.00 60.65 59.13 3gur h LYS 91 Cb 0.02 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3gur h LYS 91 CO -0.03 0.51 -0.68 0.93 -2.27 0.00 0.00 179.45 177.91 3gur h GLU 92 N 0.59 0.53 -0.65 1.90 5.08 -1.89 -2.70 114.58 117.45 3gur h GLU 92 Ca 0.14 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 58.05 3gur h GLU 92 Cb 0.15 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3gur h GLU 92 CO -0.01 1.02 0.18 1.96 -1.00 0.00 0.00 179.01 181.16 3gur h GLN 93 N 0.38 1.00 -0.12 2.33 4.20 -0.74 -0.92 115.11 121.24 3gur h GLN 93 Ca -0.02 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 3gur h GLN 93 Cb 1.25 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 3gur h GLN 93 CO 0.12 0.88 0.04 0.82 -0.67 0.00 0.00 178.83 180.02 3gur h ILE 94 N 0.96 1.19 -0.72 2.54 2.04 -1.24 -1.25 117.51 121.04 3gur h ILE 94 Ca 0.21 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 3gur h ILE 94 Cb 0.31 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 3gur h ILE 94 CO -0.00 0.17 0.30 0.03 0.00 0.00 0.00 178.15 178.65 3gur h ARG 95 N 0.01 1.06 -0.37 2.37 3.08 -1.42 -0.81 114.38 118.30 3gur h ARG 95 Ca 0.04 -0.18 0.08 0.00 0.07 0.00 0.00 59.98 59.98 3gur h ARG 95 Cb 0.23 -0.18 -0.07 0.00 0.08 0.00 0.00 29.97 30.03 3gur h ARG 95 CO -0.00 0.87 -0.12 1.49 -1.07 0.00 0.00 179.97 181.13 3gur h GLU 96 N 1.02 -0.04 -0.35 0.04 4.81 -1.01 0.09 114.58 119.14 3gur h GLU 96 Ca 0.24 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.37 3gur h GLU 96 Cb 0.19 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3gur h GLU 96 CO -0.02 -0.03 -0.20 -0.44 -0.73 0.00 0.00 179.01 177.59 3gur h ASP 97 N -0.04 0.78 -0.47 1.04 3.32 -0.79 -1.43 116.42 118.82 3gur h ASP 97 Ca 0.18 -0.42 -0.04 0.00 0.02 0.00 0.00 57.03 56.78 3gur h ASP 97 Cb 0.32 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3gur h ASP 97 CO -0.41 1.03 0.14 0.40 -1.72 0.00 0.00 179.24 178.68 3gur h ILE 98 N 0.53 1.23 -0.33 0.35 2.04 -1.03 -3.04 117.51 117.26 3gur h ILE 98 Ca 0.07 -0.77 -0.09 0.00 1.00 0.00 0.00 64.86 65.08 3gur h ILE 98 Cb 0.75 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3gur h ILE 98 CO 0.06 0.28 -0.15 -0.07 0.00 0.00 0.00 178.15 178.27 3gur h LEU 99 N 0.63 0.71 -0.81 1.44 3.38 -0.90 -0.47 115.31 119.30 3gur h LEU 99 Ca 0.15 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.74 3gur h LEU 99 Cb 0.28 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3gur h LEU 99 CO -0.00 0.95 0.53 -0.08 0.09 0.00 0.00 178.44 179.92 3gur h GLU 100 N 0.46 1.03 -0.01 1.13 4.81 -1.30 0.90 114.58 121.60 3gur h GLU 100 Ca 0.08 -0.06 -0.26 0.00 -0.13 0.00 0.00 59.36 58.98 3gur h GLU 100 Cb 0.67 -0.23 0.02 0.00 0.63 0.00 0.00 28.75 29.84 3gur h GLU 100 CO 0.05 0.68 -1.03 -0.91 -0.73 0.00 0.00 179.01 177.07 3gur h ASN 101 N 1.06 0.92 0.01 1.04 2.35 -1.44 -2.65 115.58 116.87 3gur h ASN 101 Ca 0.31 -0.73 0.01 0.00 -0.55 0.00 0.00 56.30 55.34 3gur h ASN 101 Cb -0.06 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.01 3gur h ASN 101 CO -0.09 1.53 -0.07 1.56 -1.65 0.00 0.00 177.43 178.71 3gur h GLN 102 N 0.41 -0.13 -0.74 0.81 1.08 -0.85 -0.30 115.11 115.38 3gur h GLN 102 Ca -0.13 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.05 3gur h GLN 102 Cb 1.68 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 29.10 3gur h GLN 102 CO 0.20 -0.09 0.34 0.74 -0.95 0.00 0.00 178.83 179.08 3gur h PHE 103 N -0.14 1.08 -0.53 2.96 0.04 -0.90 0.93 116.94 120.39 3gur h PHE 103 Ca 0.03 -0.05 0.03 0.00 2.80 0.00 0.00 57.97 60.78 3gur h PHE 103 Cb 0.17 -0.33 -0.04 0.00 2.20 0.00 0.00 35.95 37.95 3gur h PHE 103 CO -0.14 0.79 0.30 1.98 -0.60 0.00 0.00 178.31 180.65 3gur h MET 104 N 1.06 0.57 -0.69 1.51 4.05 -1.24 0.28 114.93 120.48 3gur h MET 104 Ca 0.26 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.67 3gur h MET 104 Cb 0.14 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 30.76 3gur h MET 104 CO -0.03 0.38 0.43 -0.44 0.23 0.00 0.00 176.91 177.48 3gur h ASP 105 N 0.59 0.70 -0.49 1.39 3.32 0.34 -1.14 116.42 121.13 3gur h ASP 105 Ca 0.22 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 3gur h ASP 105 Cb 0.06 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3gur h ASP 105 CO -0.12 0.48 0.17 0.28 -1.72 0.00 0.00 179.24 178.33 3gur h SER 106 N 0.84 0.70 -0.32 6.45 0.02 -0.32 -2.47 113.55 118.46 3gur h SER 106 Ca 0.28 -0.19 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 3gur h SER 106 Cb 0.03 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 3gur h SER 106 CO -0.11 0.71 0.07 -0.09 -1.14 0.00 0.00 176.83 176.27 3gur h ARG 107 N 0.66 0.18 -0.69 3.45 2.43 -0.04 -2.76 114.38 117.61 3gur h ARG 107 Ca 0.16 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 3gur h ARG 107 Cb 0.25 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3gur h ARG 107 CO -0.01 0.12 0.15 0.52 -1.51 0.00 0.00 179.97 179.24 3gur h MET 108 N 0.19 1.11 -0.59 0.20 2.86 -1.14 -2.31 114.93 115.25 3gur h MET 108 Ca 0.15 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 3gur h MET 108 Cb 0.15 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 3gur h MET 108 CO -0.19 0.99 0.34 1.96 1.06 0.00 0.00 176.91 181.07 3gur h GLN 109 N 1.05 0.80 -0.31 1.72 4.20 -1.24 0.30 115.11 121.63 3gur h GLN 109 Ca 0.21 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.73 3gur h GLN 109 Cb 0.39 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3gur h GLN 109 CO 0.01 0.58 -0.28 1.25 -0.67 0.00 0.00 178.83 179.72 3gur h LEU 110 N 0.82 0.77 -0.19 1.46 5.85 -1.21 -2.89 115.31 119.92 3gur h LEU 110 Ca 0.21 -0.46 -0.05 0.00 0.84 0.00 0.00 57.88 58.42 3gur h LEU 110 Cb -0.00 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3gur h LEU 110 CO -0.04 1.07 -0.07 0.00 -0.34 0.00 0.00 178.44 179.06 3gur h ALA 111 N 0.72 0.27 -0.80 1.25 0.00 -0.90 -1.74 119.26 118.07 3gur h ALA 111 Ca 0.05 -0.27 0.19 0.00 0.00 0.00 0.00 54.91 54.88 3gur h ALA 111 Cb 0.84 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.43 3gur h ALA 111 CO 0.07 0.08 0.04 -0.22 0.00 0.00 0.00 179.25 179.21 3gur h LYS 112 N 0.09 0.11 0.23 0.00 3.64 -0.46 -0.47 116.57 119.71 3gur h LYS 112 Ca 0.05 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3gur h LYS 112 Cb 0.54 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3gur h LYS 112 CO 0.02 0.07 -0.11 1.25 -2.27 0.00 0.00 179.45 178.41 3gur h LEU 113 N 0.11 -0.26 0.00 5.20 5.85 -1.36 -2.86 115.31 121.99 3gur h LEU 113 Ca 0.45 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 59.02 3gur h LEU 113 Cb 0.82 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3gur h LEU 113 CO -0.69 0.01 0.00 0.00 -0.34 0.00 0.00 178.44 177.42 3gur n TYR 115 N -1.41 0.00 -2.23 0.00 4.01 -0.30 0.20 117.16 117.43 3gur n TYR 115 Ca 0.05 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.38 3gur n TYR 115 Cb 0.15 -0.29 -0.03 0.00 -0.31 0.00 0.00 39.34 38.86 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 -3.47 6.91 0.47 7.72 -1.08 -1.06 -4.63 116.67 121.54 3gur s ASP 116 Ca -0.04 2.42 0.22 0.00 -0.52 0.00 0.00 52.55 54.63 3gur s ASP 116 Cb 0.09 -2.62 1.24 0.00 -1.46 0.00 0.00 42.92 40.17 3gur s ASP 116 CO 0.55 -0.50 1.91 -0.65 0.52 0.00 0.00 175.17 177.01 3gur h PRO 117 N 5.00 0.22 -0.98 4.34 0.11 -1.93 -1.71 132.00 137.05 3gur h PRO 117 Ca -0.45 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.43 3gur h PRO 117 Cb 1.22 -0.05 -0.13 0.00 0.11 0.00 0.00 31.00 32.15 3gur h PRO 117 CO 0.75 0.14 0.27 -0.25 -0.21 0.00 0.00 178.00 178.70 3gur n ASP 118 N -4.42 3.32 -0.02 -2.05 8.00 -1.26 -4.62 116.55 115.51 3gur n ASP 118 Ca 0.16 -2.70 -0.00 0.00 0.71 0.00 0.00 54.79 52.96 3gur n ASP 118 Cb 0.69 -0.65 -0.00 0.00 -0.02 0.00 0.00 41.12 41.14 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 -0.19 -0.02 -0.13 1.24 7.35 -0.64 -1.01 117.46 124.06 3gur n PHE 119 Ca 0.26 0.05 0.07 0.00 -0.76 0.00 0.00 57.45 57.06 3gur n PHE 119 Cb 1.00 -0.34 0.39 0.00 0.35 0.00 0.00 39.48 40.88 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 0.64 -0.01 -4.13 4.39 -1.89 0.43 114.58 114.01 3gur h GLU 120 Ca 0.01 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.53 3gur h GLU 120 Cb 0.02 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 3gur h GLU 120 CO -0.03 0.42 -0.63 0.87 -1.16 0.00 0.00 179.01 178.48 3gur h LYS 121 N 0.66 0.06 0.00 2.33 6.56 -1.58 -3.29 116.57 121.31 3gur h LYS 121 Ca 0.27 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.82 3gur h LYS 121 Cb 0.24 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 3gur h LYS 121 CO -0.08 0.67 -1.70 1.28 -2.06 0.00 0.00 179.45 177.55 3gur n LEU 122 N -3.81 0.29 -0.20 2.94 4.77 -0.18 -4.54 117.00 116.27 3gur n LEU 122 Ca -0.01 -0.14 -0.04 0.00 -0.03 0.00 0.00 56.01 55.78 3gur n LEU 122 Cb 0.63 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.73 3gur n LEU 122 CO 0.43 0.07 0.65 0.50 -1.33 0.00 0.00 177.39 177.71 3gur h LYS 123 N 0.00 -0.13 0.00 3.23 3.64 -0.26 -1.81 116.57 121.25 3gur h LYS 123 Ca 0.00 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3gur h LYS 123 Cb 0.85 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.70 3gur h LYS 123 CO 0.00 -0.09 -0.08 -1.00 -2.27 0.00 0.00 179.45 176.01 3gur h PRO 124 N -0.14 0.00 0.00 1.90 0.13 -1.80 -1.99 132.00 130.10 3gur h PRO 124 Ca 0.25 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.25 3gur h PRO 124 Cb 0.54 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 3gur h PRO 124 CO -0.66 0.08 -0.60 0.93 -0.23 0.00 0.00 178.00 177.53 3gur h GLU 125 N 0.00 0.00 0.08 0.86 5.08 -1.62 -1.20 114.58 117.78 3gur h GLU 125 Ca -0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 3gur h GLU 125 Cb 0.27 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.55 3gur h GLU 125 CO 0.01 0.60 -1.17 -0.92 -1.00 0.00 0.00 179.01 176.53 3gur h TYR 126 N 0.00 1.02 0.00 4.33 3.20 -1.27 -3.27 116.97 120.98 3gur h TYR 126 Ca -0.01 -0.61 -0.06 0.00 3.14 0.00 0.00 58.73 61.19 3gur h TYR 126 Cb 1.07 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 3gur h TYR 126 CO 0.00 1.45 -0.29 -0.07 -1.64 0.00 0.00 178.16 177.62 3gur h LEU 127 N 0.30 0.00 -0.43 2.82 4.07 -1.33 -0.64 115.31 120.11 3gur h LEU 127 Ca -0.17 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.79 3gur h LEU 127 Cb 1.84 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.55 3gur h LEU 127 CO 0.23 0.29 0.26 1.56 -1.08 0.00 0.00 178.44 179.70 3gur h GLN 128 N 0.00 0.58 0.00 1.13 4.20 -1.29 -3.28 115.11 116.46 3gur h GLN 128 Ca -0.00 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 3gur h GLN 128 Cb 0.69 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 3gur h GLN 128 CO 0.04 0.42 -0.93 0.00 -0.67 0.00 0.00 178.83 177.69 3gur h ALA 129 N 1.13 0.65 -0.55 3.87 0.00 -1.48 -3.39 119.26 119.49 3gur h ALA 129 Ca 0.16 -0.38 0.08 0.00 0.00 0.00 0.00 54.91 54.77 3gur h ALA 129 Cb -0.01 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3gur h ALA 129 CO -0.03 0.43 0.21 1.25 0.00 0.00 0.00 179.25 181.11 3gur h LEU 130 N 0.00 0.21 -0.37 0.00 5.85 -1.19 -1.35 115.31 118.47 3gur h LEU 130 Ca -0.06 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.78 3gur h LEU 130 Cb 1.27 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 3gur h LEU 130 CO 0.03 0.14 0.08 -0.65 -0.34 0.00 0.00 178.44 177.70 3gur h PRO 131 N 0.39 0.20 -0.37 5.25 0.11 -1.75 -0.87 132.00 134.96 3gur h PRO 131 Ca 0.27 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.35 3gur h PRO 131 Cb 0.30 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 3gur h PRO 131 CO -0.27 0.13 0.15 1.49 -0.21 0.00 0.00 178.00 179.29 3gur h GLU 132 N 0.20 0.51 0.85 1.05 4.57 -1.71 0.25 114.58 120.30 3gur h GLU 132 Ca 0.18 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.25 3gur h GLU 132 Cb 0.20 -0.10 0.01 0.00 -0.16 0.00 0.00 28.75 28.70 3gur h GLU 132 CO -0.23 0.43 -0.41 1.98 -1.18 0.00 0.00 179.01 179.60 3gur h MET 133 N 0.51 -1.10 -0.47 1.92 4.05 -0.58 -2.99 114.93 116.29 3gur h MET 133 Ca 0.13 0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.57 3gur h MET 133 Cb 0.11 0.25 -0.02 0.00 -0.80 0.00 0.00 31.60 31.13 3gur h MET 133 CO -0.01 -0.72 0.06 -0.07 0.23 0.00 0.00 176.91 176.39 3gur h LEU 134 N -1.20 0.69 -0.59 3.39 3.38 -0.89 -2.25 115.31 117.84 3gur h LEU 134 Ca -0.12 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 57.83 3gur h LEU 134 Cb 0.88 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.36 3gur h LEU 134 CO 0.19 0.72 0.12 0.50 0.09 0.00 0.00 178.44 180.06 3gur h LYS 135 N 0.70 0.24 -0.47 1.13 3.64 -0.56 0.14 116.57 121.40 3gur h LYS 135 Ca 0.15 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3gur h LYS 135 Cb 0.34 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3gur h LYS 135 CO 0.01 0.16 0.30 -0.07 -2.27 0.00 0.00 179.45 177.58 3gur h LEU 136 N 0.25 0.52 -0.60 5.20 4.07 -1.25 -1.33 115.31 122.16 3gur h LEU 136 Ca 0.31 -0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.27 3gur h LEU 136 Cb 0.46 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.04 3gur h LEU 136 CO -0.40 0.38 0.39 1.88 -1.08 0.00 0.00 178.44 179.60 3gur h TYR 137 N 0.62 0.74 -0.05 1.13 0.05 -1.25 -2.88 116.97 115.32 3gur h TYR 137 Ca 0.17 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.97 3gur h TYR 137 Cb -0.06 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 37.43 3gur h TYR 137 CO -0.05 0.45 0.02 1.03 -1.05 0.00 0.00 178.16 178.56 3gur h SER 138 N 0.79 0.08 -0.79 3.88 0.87 -0.16 -1.55 113.55 116.66 3gur h SER 138 Ca 0.23 -0.19 0.22 0.00 -1.23 0.00 0.00 61.79 60.82 3gur h SER 138 Cb -0.05 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 3gur h SER 138 CO -0.07 0.25 0.56 1.56 -0.53 0.00 0.00 176.83 178.60 3gur h GLN 139 N -0.10 0.04 0.18 2.24 4.20 -1.29 -0.56 115.11 119.82 3gur h GLN 139 Ca 0.02 -0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.39 3gur h GLN 139 Cb 0.20 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.98 3gur h GLN 139 CO -0.00 0.03 -1.62 0.35 -0.67 0.00 0.00 178.83 176.92 3gur h PHE 140 N 0.04 0.68 -0.24 2.96 3.57 -1.09 -3.19 116.94 119.67 3gur h PHE 140 Ca 0.38 -0.50 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 3gur h PHE 140 Cb 1.44 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.14 3gur h PHE 140 CO -0.00 1.55 0.10 1.25 -2.23 0.00 0.00 178.31 178.98 3gur h LEU 141 N 0.10 0.33 0.00 0.59 5.85 -1.05 -3.47 115.31 117.67 3gur h LEU 141 Ca -0.29 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3gur h LEU 141 Cb 2.09 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 43.03 3gur h LEU 141 CO 0.19 0.40 0.00 0.61 -0.34 0.00 0.00 178.44 179.30 3gur n GLY 142 N -0.75 3.98 1.04 3.75 0.00 -0.24 -1.30 105.19 111.68 3gur n GLY 142 Ca -0.03 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.20 3gur n GLY 142 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3gur n LYS 143 N 14.00 2.36 -2.13 1.61 -0.00 -1.26 -4.90 118.16 127.83 3gur n LYS 143 Ca 0.00 -2.09 -0.38 0.00 -0.00 0.00 0.00 58.31 55.83 3gur n LYS 143 Cb 0.00 -1.48 -0.00 0.00 -0.00 0.00 0.00 35.03 33.55 3gur n LYS 143 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 3gur s GLN 144 N -1.68 3.84 0.43 -1.58 -0.21 -0.42 -4.94 119.66 115.10 3gur s GLN 144 Ca 0.33 1.99 0.24 0.00 0.02 0.00 0.00 55.36 57.94 3gur s GLN 144 Cb 0.21 -2.59 0.83 0.00 1.00 0.00 0.00 33.01 32.46 3gur s GLN 144 CO 0.30 -0.55 1.79 -1.00 -2.12 0.00 0.00 175.29 173.71 3gur h PRO 145 N 2.37 0.00 -4.38 2.91 0.13 -1.88 -3.46 132.00 127.68 3gur h PRO 145 Ca -0.49 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.46 3gur h PRO 145 Cb 1.25 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.23 3gur h PRO 145 CO 0.61 0.23 -0.62 -1.58 -0.23 0.00 0.00 178.00 176.41 3gur s TRP 146 N -3.56 0.82 0.24 1.56 0.52 -0.68 -4.95 118.94 112.88 3gur s TRP 146 Ca 0.01 -1.19 0.29 0.00 0.02 0.00 0.00 56.10 55.22 3gur s TRP 146 Cb 0.10 -0.44 1.27 0.00 -1.15 0.00 0.00 33.47 33.24 3gur s TRP 146 CO 0.64 -0.53 1.97 0.74 0.02 0.00 0.00 176.95 179.79 3gur h PHE 147 N 2.84 0.00 -0.55 -1.98 0.04 -1.89 -1.35 116.94 114.05 3gur h PHE 147 Ca -0.35 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.42 3gur h PHE 147 Cb 1.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.35 3gur h PHE 147 CO 0.43 0.13 0.00 1.28 -0.60 0.00 0.00 178.31 179.55 3gur n LEU 148 N -3.37 4.01 0.00 1.54 4.77 -1.26 -4.90 117.00 117.79 3gur n LEU 148 Ca -0.01 -2.29 0.00 0.00 -0.03 0.00 0.00 56.01 53.68 3gur n LEU 148 Cb 0.32 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3gur n LEU 148 CO 0.30 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 3gur n GLY 149 N 0.91 0.58 0.22 -0.72 0.00 -0.51 -4.56 105.19 101.11 3gur n GLY 149 Ca 0.21 -1.46 0.13 0.00 0.00 0.00 0.00 46.02 44.90 3gur n GLY 149 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gur h ASP 150 N 0.00 0.00 -3.85 1.61 3.32 -1.97 -1.82 116.42 113.71 3gur h ASP 150 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 3gur h ASP 150 Cb 0.00 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.37 3gur h ASP 150 CO 0.00 0.00 -0.52 -0.75 -1.72 0.00 0.00 179.24 176.25 3gur s LYS 151 N -3.26 3.85 0.16 3.56 2.20 -1.26 -4.88 119.74 120.11 3gur s LYS 151 Ca 0.06 -0.39 -0.33 0.00 -0.36 0.00 0.00 55.97 54.96 3gur s LYS 151 Cb 0.06 -3.65 -0.12 0.00 -1.51 0.00 0.00 37.83 32.60 3gur s LYS 151 CO 0.66 -0.22 1.71 1.51 -0.36 0.00 0.00 175.35 178.64 3gur n ILE 152 N 5.05 0.11 -4.18 5.43 3.06 -1.26 -4.49 119.36 123.08 3gur n ILE 152 Ca -0.14 -0.02 -0.13 0.00 -2.50 0.00 0.00 62.75 59.96 3gur n ILE 152 Cb 0.52 -1.87 -0.09 0.00 0.54 0.00 0.00 39.64 38.73 3gur n ILE 152 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3gur s THR 153 N 1.57 0.00 0.40 9.51 -4.23 -1.26 -4.81 115.64 116.82 3gur s THR 153 Ca 0.79 -1.89 0.21 0.00 -1.18 0.00 0.00 61.69 59.61 3gur s THR 153 Cb -0.56 -2.46 0.41 0.00 1.34 0.00 0.00 72.50 71.22 3gur s THR 153 CO 0.36 0.00 1.70 2.19 -0.54 0.00 0.00 174.62 178.33 3gur h PHE 154 N 2.48 0.68 -0.09 3.99 -0.00 -1.63 0.24 116.94 122.61 3gur h PHE 154 Ca -0.33 0.03 0.03 0.00 -0.00 0.00 0.00 57.97 57.70 3gur h PHE 154 Cb 1.25 -0.18 -0.00 0.00 -0.00 0.00 0.00 35.95 37.01 3gur h PHE 154 CO 0.59 -0.07 0.07 -0.39 -0.00 0.00 0.00 178.31 178.50 3gur h VAL 155 N 0.28 0.84 -0.76 0.88 -1.51 -1.95 -0.63 116.25 113.41 3gur h VAL 155 Ca 0.70 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 66.17 3gur h VAL 155 Cb 1.88 0.95 -0.04 0.00 -2.13 0.00 0.00 31.29 31.96 3gur h VAL 155 CO -0.40 0.00 0.49 0.44 -1.23 0.00 0.00 177.57 176.87 3gur h ASP 156 N 0.00 0.87 -0.31 4.19 3.32 -1.36 0.47 116.42 123.61 3gur h ASP 156 Ca 0.04 -0.03 -0.16 0.00 0.02 0.00 0.00 57.03 56.91 3gur h ASP 156 Cb 0.19 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3gur h ASP 156 CO -0.00 0.64 -0.41 -0.26 -1.72 0.00 0.00 179.24 177.49 3gur h PHE 157 N 1.03 1.04 -0.47 4.55 -1.00 -1.25 0.69 116.94 121.53 3gur h PHE 157 Ca 0.28 -0.32 -0.02 0.00 2.81 0.00 0.00 57.97 60.72 3gur h PHE 157 Cb -0.11 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.21 3gur h PHE 157 CO 0.00 1.13 0.23 0.82 -1.61 0.00 0.00 178.31 178.88 3gur h ILE 158 N 0.70 1.19 -0.59 -0.55 2.04 -1.32 -2.88 117.51 116.10 3gur h ILE 158 Ca 0.05 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.41 3gur h ILE 158 Cb 0.99 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3gur h ILE 158 CO 0.10 0.20 0.38 0.00 0.00 0.00 0.00 178.15 178.83 3gur h ALA 159 N 1.07 0.76 0.23 1.87 0.00 0.24 -2.37 119.26 121.05 3gur h ALA 159 Ca 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3gur h ALA 159 Cb 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3gur h ALA 159 CO -0.02 0.14 -0.11 -0.92 0.00 0.00 0.00 179.25 178.34 3gur h TYR 160 N 0.75 -0.29 -0.05 0.00 3.20 -0.84 -0.74 116.97 119.01 3gur h TYR 160 Ca 0.23 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.12 3gur h TYR 160 Cb -0.03 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.27 3gur h TYR 160 CO -0.04 -0.07 -0.43 0.22 -1.64 0.00 0.00 178.16 176.19 3gur h ASP 161 N -0.45 -1.33 -0.62 -2.11 3.58 -1.49 0.17 116.42 114.16 3gur h ASP 161 Ca -0.03 0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 3gur h ASP 161 Cb 0.34 0.53 -0.03 0.00 1.72 0.00 0.00 39.33 41.89 3gur h ASP 161 CO 0.05 -0.45 0.38 0.58 -2.88 0.00 0.00 179.24 176.91 3gur h VAL 162 N -0.55 1.18 -0.21 2.25 2.07 -1.38 -0.72 116.25 118.89 3gur h VAL 162 Ca 0.05 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 3gur h VAL 162 Cb 0.65 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3gur h VAL 162 CO -0.35 0.18 -0.05 -0.07 0.02 0.00 0.00 177.57 177.30 3gur h LEU 163 N 0.83 0.41 -0.69 2.57 4.07 -0.85 -2.82 115.31 118.83 3gur h LEU 163 Ca 0.22 -0.37 -0.12 0.00 0.08 0.00 0.00 57.88 57.69 3gur h LEU 163 Cb -0.03 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 3gur h LEU 163 CO -0.04 0.68 -0.30 -0.08 -1.08 0.00 0.00 178.44 177.62 3gur h GLU 164 N 0.13 0.69 0.00 1.13 4.22 -0.55 -2.28 114.58 117.92 3gur h GLU 164 Ca 0.05 -0.30 -0.06 0.00 0.08 0.00 0.00 59.36 59.13 3gur h GLU 164 Cb 0.50 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3gur h GLU 164 CO 0.02 0.90 -0.27 0.07 -2.18 0.00 0.00 179.01 177.55 3gur h ARG 165 N 0.59 0.00 -0.06 1.92 0.11 -1.16 -1.21 114.38 114.57 3gur h ARG 165 Ca 0.07 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.03 3gur h ARG 165 Cb 0.80 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.87 3gur h ARG 165 CO 0.07 0.27 -0.52 -0.91 0.10 0.00 0.00 179.97 178.97 3gur h ASN 166 N 0.00 0.17 -0.32 0.08 2.35 -1.21 -2.35 115.58 114.29 3gur h ASN 166 Ca -0.00 -0.08 -0.15 0.00 -0.55 0.00 0.00 56.30 55.51 3gur h ASN 166 Cb 0.73 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 3gur h ASN 166 CO 0.04 0.66 -0.36 -0.61 -1.65 0.00 0.00 177.43 175.51 3gur h GLN 167 N 0.12 0.87 -0.39 0.81 4.15 -0.72 0.24 115.11 120.19 3gur h GLN 167 Ca 0.00 -0.43 -0.08 0.00 0.77 0.00 0.00 58.65 58.91 3gur h GLN 167 Cb 0.97 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.65 3gur h GLN 167 CO 0.08 1.08 -0.08 0.28 -1.93 0.00 0.00 178.83 178.25 3gur h VAL 168 N 0.72 1.24 0.46 2.39 2.07 -1.22 -1.81 116.25 120.10 3gur h VAL 168 Ca 0.07 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 3gur h VAL 168 Cb 0.93 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3gur h VAL 168 CO 0.09 0.36 -0.22 0.15 0.02 0.00 0.00 177.57 177.96 3gur h PHE 169 N 0.61 -0.57 -3.63 1.57 3.57 -1.18 -3.41 116.94 113.90 3gur h PHE 169 Ca 0.11 -0.01 -0.68 0.00 3.53 0.00 0.00 57.97 60.92 3gur h PHE 169 Cb 0.51 0.19 -0.37 0.00 2.79 0.00 0.00 35.95 39.07 3gur h PHE 169 CO 0.02 -0.36 -0.66 -2.00 -2.23 0.00 0.00 178.31 173.09 3gur s GLU 170 N -3.66 1.84 0.51 1.11 2.56 0.82 -5.01 118.70 116.88 3gur s GLU 170 Ca -0.09 -1.75 0.22 0.00 0.00 0.00 0.00 54.97 53.35 3gur s GLU 170 Cb 0.01 -3.33 1.31 0.00 2.00 0.00 0.00 34.13 34.13 3gur s GLU 170 CO 0.27 -0.93 2.02 -1.35 -0.56 0.00 0.00 175.26 174.71 3gur h PRO 171 N 7.83 0.06 -0.63 4.30 0.11 -1.55 -2.18 132.00 139.95 3gur h PRO 171 Ca -0.10 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 3gur h PRO 171 Cb 1.04 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3gur h PRO 171 CO 0.59 0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 177.29 3gur n SER 172 N -4.42 4.11 0.20 -2.05 3.41 -1.26 -4.61 113.62 109.00 3gur n SER 172 Ca 0.07 -2.21 0.05 0.00 -0.26 0.00 0.00 58.87 56.53 3gur n SER 172 Cb 0.47 -0.49 0.44 0.00 -0.26 0.00 0.00 64.21 64.38 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 -4.00 0.64 -0.31 0.00 4.77 -1.26 -4.40 117.00 112.44 3gur n LEU 174 Ca -0.02 0.11 0.14 0.00 -0.03 0.00 0.00 56.01 56.20 3gur n LEU 174 Cb 0.36 -0.10 0.31 0.00 -2.33 0.00 0.00 43.42 41.66 3gur n LEU 174 CO 0.37 -0.03 1.04 0.44 -1.33 0.00 0.00 177.39 177.88 3gur h ASP 175 N 0.00 0.32 0.17 -1.43 3.32 -1.81 1.21 116.42 118.20 3gur h ASP 175 Ca 0.00 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3gur h ASP 175 Cb 0.80 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.49 3gur h ASP 175 CO 0.00 -0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.51 3gur n ALA 176 N -2.50 2.00 -3.64 3.45 0.00 -1.26 -4.32 120.51 114.23 3gur n ALA 176 Ca 0.22 -0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.29 3gur n ALA 176 Cb 0.67 -1.27 -0.12 0.00 0.00 0.00 0.00 19.45 18.73 3gur n ALA 176 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3gur s PHE 177 N -2.32 1.87 0.25 0.00 0.08 0.42 -5.02 117.98 113.26 3gur s PHE 177 Ca 0.20 -2.44 -0.04 0.00 0.12 0.00 0.00 56.93 54.76 3gur s PHE 177 Cb 0.11 -1.68 0.38 0.00 -0.57 0.00 0.00 43.02 41.27 3gur s PHE 177 CO 0.23 -0.76 1.84 -1.35 -0.10 0.00 0.00 175.22 175.07 3gur h PRO 178 N 6.32 0.89 -0.93 0.24 0.11 -1.75 -2.08 132.00 134.80 3gur h PRO 178 Ca 0.08 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 3gur h PRO 178 Cb 0.90 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 31.77 3gur h PRO 178 CO 0.47 0.59 0.57 -2.95 -0.21 0.00 0.00 178.00 176.47 3gur h ASN 179 N 0.92 1.10 -0.12 -2.05 -1.07 -1.91 0.13 115.58 112.58 3gur h ASN 179 Ca 0.40 -0.06 -0.00 0.00 0.07 0.00 0.00 56.30 56.71 3gur h ASN 179 Cb 0.27 -0.28 -0.01 0.00 -2.07 0.00 0.00 38.32 36.24 3gur h ASN 179 CO -0.21 0.84 0.06 -0.07 0.07 0.00 0.00 177.43 178.12 3gur h LEU 180 N 1.28 0.16 -0.49 6.14 4.07 -1.73 0.13 115.31 124.86 3gur h LEU 180 Ca 0.33 -0.11 0.07 0.00 0.08 0.00 0.00 57.88 58.26 3gur h LEU 180 Cb -0.08 -0.04 -0.06 0.00 1.08 0.00 0.00 40.66 41.57 3gur h LEU 180 CO -0.06 0.22 0.16 0.11 -1.08 0.00 0.00 178.44 177.78 3gur h LYS 181 N 0.09 0.32 -0.54 1.13 1.79 -1.09 -1.92 116.57 116.34 3gur h LYS 181 Ca 0.04 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.47 3gur h LYS 181 Cb 0.10 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.65 3gur h LYS 181 CO -0.01 0.21 0.24 -0.44 -1.08 0.00 0.00 179.45 178.37 3gur h ASP 182 N 0.33 0.69 -0.86 0.86 3.32 -0.59 -2.18 116.42 117.99 3gur h ASP 182 Ca 0.23 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 3gur h ASP 182 Cb 0.26 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 3gur h ASP 182 CO -0.25 0.60 0.45 0.15 -1.72 0.00 0.00 179.24 178.47 3gur h PHE 183 N 0.76 1.20 0.58 4.55 3.57 -0.25 0.87 116.94 128.22 3gur h PHE 183 Ca 0.19 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 3gur h PHE 183 Cb 0.11 -0.38 0.01 0.00 2.79 0.00 0.00 35.95 38.48 3gur h PHE 183 CO 0.01 0.84 -0.28 0.82 -2.23 0.00 0.00 178.31 177.47 3gur h ILE 184 N 1.21 0.41 -0.98 1.41 1.08 -0.76 -1.10 117.51 118.79 3gur h ILE 184 Ca 0.30 -0.11 0.08 0.00 -0.39 0.00 0.00 64.86 64.75 3gur h ILE 184 Cb 0.06 0.46 -0.07 0.00 -3.07 0.00 0.00 36.82 34.20 3gur h ILE 184 CO -0.04 0.02 0.62 0.28 -0.69 0.00 0.00 178.15 178.34 3gur h SER 185 N -0.84 0.97 -0.32 1.72 0.02 -1.36 0.34 113.55 114.07 3gur h SER 185 Ca -0.08 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 3gur h SER 185 Cb 0.62 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 3gur h SER 185 CO 0.13 0.59 0.09 -0.09 -1.14 0.00 0.00 176.83 176.41 3gur h ARG 186 N 1.09 0.50 -0.45 3.45 2.43 -0.72 0.23 114.38 120.92 3gur h ARG 186 Ca 0.44 -0.11 -0.13 0.00 -0.81 0.00 0.00 59.98 59.36 3gur h ARG 186 Cb 0.27 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3gur h ARG 186 CO -0.20 0.56 -0.25 0.35 -1.51 0.00 0.00 179.97 178.92 3gur h PHE 187 N 0.36 1.10 0.00 2.20 3.57 -0.86 -2.91 116.94 120.39 3gur h PHE 187 Ca 0.10 -0.27 -0.05 0.00 3.53 0.00 0.00 57.97 61.28 3gur h PHE 187 Cb 0.27 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 3gur h PHE 187 CO 0.01 1.09 -0.22 0.93 -2.23 0.00 0.00 178.31 177.89 3gur h GLU 188 N 0.81 0.00 0.00 1.11 5.08 -0.75 -3.00 114.58 117.83 3gur h GLU 188 Ca 0.10 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3gur h GLU 188 Cb 0.82 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 3gur h GLU 188 CO 0.07 0.22 -0.14 0.78 -1.00 0.00 0.00 179.01 178.94 3gur h GLY 189 N 2.52 0.00 -4.65 -3.84 0.00 -0.35 -3.23 103.07 93.52 3gur h GLY 189 Ca -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 3gur h GLY 189 CO 0.03 0.00 0.65 1.04 0.00 0.00 0.00 176.54 178.25 3gur n LEU 190 N -3.17 3.18 -0.28 3.11 4.77 -1.12 -4.75 117.00 118.75 3gur n LEU 190 Ca 0.02 1.14 0.09 0.00 -0.03 0.00 0.00 56.01 57.24 3gur n LEU 190 Cb 0.52 -1.44 0.24 0.00 -2.33 0.00 0.00 43.42 40.41 3gur n LEU 190 CO 0.34 -0.43 0.98 -0.08 -1.33 0.00 0.00 177.39 176.87 3gur h GLU 191 N 4.39 0.31 0.00 3.23 4.81 -1.91 -1.57 114.58 123.85 3gur h GLU 191 Ca -0.45 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.68 3gur h GLU 191 Cb 1.27 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 3gur h GLU 191 CO 0.77 0.21 -0.85 -0.22 -0.73 0.00 0.00 179.01 178.19 3gur h LYS 192 N 0.32 0.00 0.07 1.92 3.64 -1.93 -2.92 116.57 117.67 3gur h LYS 192 Ca 0.49 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.86 3gur h LYS 192 Cb 0.89 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3gur h LYS 192 CO -0.53 0.23 -0.03 0.82 -2.27 0.00 0.00 179.45 177.66 3gur h ILE 193 N 0.00 1.21 -0.09 2.00 5.03 -1.63 -2.68 117.51 121.35 3gur h ILE 193 Ca -0.05 -1.35 -0.05 0.00 -0.12 0.00 0.00 64.86 63.29 3gur h ILE 193 Cb 1.29 2.04 -0.01 0.00 -3.03 0.00 0.00 36.82 37.11 3gur h ILE 193 CO 0.03 0.32 -0.18 0.77 -0.68 0.00 0.00 178.15 178.41 3gur h SER 194 N -0.75 0.14 -0.42 1.72 4.64 -1.35 0.61 113.55 118.14 3gur h SER 194 Ca -0.01 -0.03 0.04 0.00 -0.47 0.00 0.00 61.79 61.32 3gur h SER 194 Cb 0.59 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.61 3gur h SER 194 CO 0.02 0.33 0.19 0.00 -0.87 0.00 0.00 176.83 176.50 3gur h ALA 195 N 1.68 0.51 -0.12 5.18 0.00 -1.59 -2.29 119.26 122.64 3gur h ALA 195 Ca 0.03 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3gur h ALA 195 Cb 0.40 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3gur h ALA 195 CO 0.03 -0.18 -0.53 -0.92 0.00 0.00 0.00 179.25 177.64 3gur h TYR 196 N 0.38 0.43 0.00 0.00 3.20 -0.84 -2.20 116.97 117.93 3gur h TYR 196 Ca 0.18 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3gur h TYR 196 Cb 0.12 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.31 3gur h TYR 196 CO -0.12 0.80 0.00 -1.33 -1.64 0.00 0.00 178.16 175.87 3gur n MET 197 N -3.94 0.06 -0.26 1.82 2.81 0.08 -2.30 117.12 115.39 3gur n MET 197 Ca -0.02 0.15 0.10 0.00 -1.81 0.00 0.00 57.70 56.12 3gur n MET 197 Cb 0.57 -1.50 0.26 0.00 -0.71 0.00 0.00 33.22 31.84 3gur n MET 197 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3gur n LYS 198 N -1.45 2.32 -4.56 0.03 5.02 -0.84 -4.95 118.16 113.73 3gur n LYS 198 Ca 0.06 -2.04 -0.31 0.00 -2.02 0.00 0.00 58.31 53.99 3gur n LYS 198 Cb 0.21 -1.46 -0.07 0.00 -0.02 0.00 0.00 35.03 33.70 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 -1.12 4.22 0.06 4.39 1.04 -0.97 -5.01 113.70 116.31 3gur s SER 199 Ca 0.38 -1.53 0.27 0.00 0.48 0.00 0.00 55.95 55.56 3gur s SER 199 Cb 0.20 0.38 0.91 0.00 0.10 0.00 0.00 66.02 67.61 3gur s SER 199 CO 0.27 -0.85 1.73 -1.54 0.98 0.00 0.00 173.24 173.84 3gur n SER 200 N -1.33 0.36 0.22 7.02 3.41 -1.26 -3.05 113.62 118.98 3gur n SER 200 Ca -0.14 0.34 0.09 0.00 -0.26 0.00 0.00 58.87 58.90 3gur n SER 200 Cb 0.66 -0.36 0.45 0.00 -0.26 0.00 0.00 64.21 64.70 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 -6.85 4.33 3.08 -1.95 -3.47 114.38 109.53 3gur h ARG 201 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 3gur h ARG 201 Cb 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 3gur h ARG 201 CO 0.00 0.26 0.30 0.12 -1.07 0.00 0.00 179.97 179.58 3gur s PHE 202 N -3.70 3.65 -0.44 3.04 5.36 -1.17 -5.02 117.98 119.70 3gur s PHE 202 Ca 0.00 1.69 0.05 0.00 -0.96 0.00 0.00 56.93 57.72 3gur s PHE 202 Cb 0.11 -2.86 0.19 0.00 -0.34 0.00 0.00 43.02 40.12 3gur s PHE 202 CO 0.65 0.20 0.50 -0.11 -1.46 0.00 0.00 175.22 175.00 3gur n LEU 203 N 0.46 -1.27 0.00 6.12 7.94 -1.26 -4.94 117.00 124.05 3gur n LEU 203 Ca 0.02 -4.00 0.13 0.00 -1.11 0.00 0.00 56.01 51.05 3gur n LEU 203 Cb 0.51 0.63 0.40 0.00 0.53 0.00 0.00 43.42 45.49 3gur n LEU 203 CO 0.43 1.92 0.66 -0.81 -1.11 0.00 0.00 177.39 178.48 3gur n PRO 204 N 2.56 0.01 -4.57 1.96 -0.04 -1.26 -4.37 135.00 129.30 3gur n PRO 204 Ca 0.24 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.48 3gur n PRO 204 Cb 0.52 -1.51 -0.16 0.00 -0.04 0.00 0.00 33.50 32.31 3gur n PRO 204 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3gur s ARG 205 N -3.01 1.41 0.45 0.54 1.81 -1.26 -4.07 118.95 114.82 3gur s ARG 205 Ca 0.12 -0.42 -0.12 0.00 -1.72 0.00 0.00 55.73 53.59 3gur s ARG 205 Cb 0.18 -1.23 -0.07 0.00 -0.45 0.00 0.00 34.95 33.38 3gur s ARG 205 CO 0.63 0.12 0.85 -2.14 -0.68 0.00 0.00 175.30 174.08 3gur s PRO 206 N 0.32 3.83 0.03 3.54 0.02 -1.26 -4.74 135.00 136.73 3gur s PRO 206 Ca -0.07 0.63 -0.26 0.00 0.02 0.00 0.00 61.00 61.32 3gur s PRO 206 Cb -0.12 -2.30 -0.17 0.00 0.02 0.00 0.00 34.50 31.93 3gur s PRO 206 CO 0.02 -0.13 1.41 0.28 -0.33 0.00 0.00 177.00 178.25 3gur h VAL 207 N 0.99 0.72 -5.22 3.83 2.07 -1.71 0.14 116.25 117.07 3gur h VAL 207 Ca -0.47 -0.40 -0.39 0.00 0.82 0.00 0.00 66.70 66.25 3gur h VAL 207 Cb 1.19 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 3gur h VAL 207 CO 0.63 0.08 -0.19 0.49 0.02 0.00 0.00 177.57 178.60 3gur n PHE 208 N -5.18 -0.78 -2.11 1.57 3.72 -0.55 -1.31 117.46 112.83 3gur n PHE 208 Ca -0.10 -1.58 -0.27 0.00 -0.05 0.00 0.00 57.45 55.45 3gur n PHE 208 Cb 0.24 -0.30 0.07 0.00 -0.94 0.00 0.00 39.48 38.55 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 -1.87 2.44 -0.36 4.37 -4.23 -1.26 -4.58 115.64 110.16 3gur s THR 209 Ca 0.20 -0.10 0.11 0.00 -1.18 0.00 0.00 61.69 60.72 3gur s THR 209 Cb -0.02 -3.09 0.11 0.00 1.34 0.00 0.00 72.50 70.85 3gur s THR 209 CO 0.13 -0.10 1.29 0.29 -0.54 0.00 0.00 174.62 175.68 3gur n LYS 210 N -3.01 0.08 0.19 3.99 5.02 -1.26 -0.85 118.16 122.32 3gur n LYS 210 Ca 0.08 0.54 0.08 0.00 -2.02 0.00 0.00 58.31 56.98 3gur n LYS 210 Cb 0.60 -1.87 0.24 0.00 -0.02 0.00 0.00 35.03 33.99 3gur n LYS 210 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 3gur h MET 211 N 0.00 0.00 -6.78 1.97 2.86 -1.93 -3.47 114.93 107.59 3gur h MET 211 Ca 0.00 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.15 3gur h MET 211 Cb 0.24 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 3gur h MET 211 CO 0.00 0.28 0.37 0.00 1.06 0.00 0.00 176.91 178.61 3gur s ALA 212 N -3.30 3.33 0.18 6.32 0.00 -0.03 -4.92 121.76 123.35 3gur s ALA 212 Ca 0.03 0.65 -0.08 0.00 0.00 0.00 0.00 51.96 52.55 3gur s ALA 212 Cb 0.08 -3.22 0.08 0.00 0.00 0.00 0.00 23.12 20.06 3gur s ALA 212 CO 0.68 0.15 1.62 0.28 0.00 0.00 0.00 175.76 178.49 3gur h VAL 213 N 3.07 1.27 -3.52 0.00 2.07 -0.51 -3.42 116.25 115.21 3gur h VAL 213 Ca -0.45 -1.25 -0.66 0.00 0.82 0.00 0.00 66.70 65.15 3gur h VAL 213 Cb 1.20 0.96 -0.24 0.00 -1.52 0.00 0.00 31.29 31.69 3gur h VAL 213 CO 0.67 0.44 -0.74 0.86 0.02 0.00 0.00 177.57 178.82 3gur s TRP 214 N -4.85 2.84 -0.49 1.57 -0.00 -1.08 -4.83 118.94 112.09 3gur s TRP 214 Ca -0.11 -0.40 -0.05 0.00 -0.00 0.00 0.00 56.10 55.54 3gur s TRP 214 Cb 0.13 -1.80 0.01 0.00 -0.00 0.00 0.00 33.47 31.81 3gur s TRP 214 CO 0.86 -0.03 0.53 0.41 -0.00 0.00 0.00 176.95 178.72 3gur n GLY 215 N 3.09 -1.12 0.00 5.86 0.00 -1.26 -4.66 105.19 107.10 3gur n GLY 215 Ca -0.18 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.46 3gur n GLY 215 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48