#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 2.31 -0.26 0.54 -1.94 -0.67 -4.74 119.30 114.54 3gur s MET 2 Ca 0.00 1.37 -0.03 0.00 -1.71 0.00 0.00 55.69 55.33 3gur s MET 2 Cb 0.00 -1.89 0.03 0.00 2.01 0.00 0.00 34.83 34.98 3gur s MET 2 CO 0.00 -1.63 -0.03 0.99 -0.01 0.00 0.00 175.02 174.35 3gur s THR 3 N -2.54 3.11 -0.22 2.05 2.01 -0.69 0.39 115.64 119.75 3gur s THR 3 Ca 0.66 -1.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.50 3gur s THR 3 Cb -0.21 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 3gur s THR 3 CO 0.49 0.14 0.37 -0.22 -0.69 0.00 0.00 174.62 174.71 3gur s LEU 4 N 1.35 4.12 -0.10 4.42 2.96 -0.34 -0.90 118.68 130.19 3gur s LEU 4 Ca -0.00 0.42 0.00 0.00 -0.22 0.00 0.00 54.13 54.33 3gur s LEU 4 Cb -0.17 -2.46 -0.02 0.00 0.50 0.00 0.00 46.19 44.04 3gur s LEU 4 CO -0.03 -0.10 -0.10 -0.83 -1.32 0.00 0.00 176.35 173.97 3gur s GLY 5 N 1.21 1.60 0.10 7.98 0.00 0.22 -0.30 107.32 118.13 3gur s GLY 5 Ca 0.17 -0.90 -0.26 0.00 0.00 0.00 0.00 44.72 43.73 3gur s GLY 5 CO 0.08 -0.41 0.99 -0.47 0.00 0.00 0.00 173.10 173.30 3gur s TYR 6 N -0.15 -0.15 0.77 1.90 5.04 -0.58 -0.86 117.35 123.32 3gur s TYR 6 Ca 0.00 -0.09 -0.14 0.00 -2.44 0.00 0.00 57.07 54.40 3gur s TYR 6 Cb -0.13 0.61 0.06 0.00 0.35 0.00 0.00 41.96 42.85 3gur s TYR 6 CO 0.03 -0.70 1.22 -1.58 -1.34 0.00 0.00 175.55 173.18 3gur s TRP 7 N -3.14 1.87 -0.29 4.97 0.52 -1.26 -0.88 118.94 120.73 3gur s TRP 7 Ca 0.11 1.63 -0.05 0.00 0.02 0.00 0.00 56.10 57.82 3gur s TRP 7 Cb -0.01 -3.52 -0.17 0.00 -1.15 0.00 0.00 33.47 28.63 3gur s TRP 7 CO -0.00 -2.85 2.72 -1.71 0.02 0.00 0.00 176.95 175.13 3gur n ASN 8 N -3.02 4.49 -1.78 2.95 5.15 0.30 -4.63 115.26 118.72 3gur n ASN 8 Ca 0.14 -2.27 -0.06 0.00 -0.60 0.00 0.00 54.58 51.79 3gur n ASN 8 Cb 0.50 -1.10 -0.02 0.00 -0.53 0.00 0.00 39.78 38.63 3gur n ASN 8 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3gur n ILE 9 N 2.95 0.00 -0.04 -1.44 -5.35 -1.26 -4.67 119.36 109.54 3gur n ILE 9 Ca 0.38 -0.65 -0.01 0.00 -0.27 0.00 0.00 62.75 62.20 3gur n ILE 9 Cb 0.56 0.29 -0.00 0.00 -1.74 0.00 0.00 39.64 38.74 3gur n ILE 9 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3gur h ARG 10 N 0.00 0.00 0.00 6.28 2.43 -1.01 -3.46 114.38 118.62 3gur h ARG 10 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3gur h ARG 10 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3gur h ARG 10 CO 0.11 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.98 3gur n GLY 11 N 1.78 1.78 0.08 2.80 0.00 -0.32 -1.73 105.19 109.58 3gur n GLY 11 Ca -0.02 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 0.48 0.09 0.99 7.99 -1.26 -3.45 117.00 121.85 3gur n LEU 12 Ca 0.00 0.58 0.13 0.00 -0.01 0.00 0.00 56.01 56.71 3gur n LEU 12 Cb 0.00 -0.47 0.31 0.00 -0.11 0.00 0.00 43.42 43.15 3gur n LEU 12 CO 0.00 -0.30 0.69 0.00 -1.51 0.00 0.00 177.39 176.27 3gur h ALA 13 N 2.51 0.85 0.10 -1.18 0.00 -1.66 -3.39 119.26 116.49 3gur h ALA 13 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3gur h ALA 13 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3gur h ALA 13 CO 0.00 0.00 -0.27 1.25 0.00 0.00 0.00 179.25 180.23 3gur h HIS 14 N 0.00 -0.73 -0.81 0.00 6.17 -1.47 0.10 115.15 118.41 3gur h HIS 14 Ca 0.00 0.02 0.04 0.00 0.71 0.00 0.00 60.37 61.14 3gur h HIS 14 Cb 0.75 0.31 -0.05 0.00 2.52 0.00 0.00 27.41 30.94 3gur h HIS 14 CO 0.00 -0.37 0.53 0.77 0.71 0.00 0.00 177.93 179.57 3gur h SER 15 N -0.47 0.85 -0.09 3.26 0.02 -1.82 -1.80 113.55 113.51 3gur h SER 15 Ca 0.04 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 3gur h SER 15 Cb 0.51 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 3gur h SER 15 CO -0.17 0.58 -0.14 0.40 -1.14 0.00 0.00 176.83 176.36 3gur h ILE 16 N 0.98 1.39 -0.31 3.27 2.04 -1.61 -1.61 117.51 121.66 3gur h ILE 16 Ca 0.33 -1.39 0.04 0.00 1.00 0.00 0.00 64.86 64.84 3gur h ILE 16 Cb 0.07 2.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 3gur h ILE 16 CO -0.10 0.39 0.09 0.03 0.00 0.00 0.00 178.15 178.56 3gur h ARG 17 N -0.20 0.21 -0.77 2.37 3.08 -0.65 -0.70 114.38 117.73 3gur h ARG 17 Ca 0.01 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.07 3gur h ARG 17 Cb 0.70 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 3gur h ARG 17 CO 0.03 0.14 0.50 -0.07 -1.07 0.00 0.00 179.97 179.50 3gur h LEU 18 N 0.22 0.84 -0.36 3.04 3.38 -1.29 -1.70 115.31 119.44 3gur h LEU 18 Ca 0.14 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 3gur h LEU 18 Cb 0.13 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3gur h LEU 18 CO -0.16 0.59 -0.21 0.25 0.09 0.00 0.00 178.44 179.00 3gur h LEU 19 N 0.99 0.80 -0.80 1.67 5.85 -0.97 0.18 115.31 123.03 3gur h LEU 19 Ca 0.30 -0.42 0.08 0.00 0.84 0.00 0.00 57.88 58.68 3gur h LEU 19 Cb -0.04 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.70 3gur h LEU 19 CO -0.09 1.05 0.46 -0.07 -0.34 0.00 0.00 178.44 179.45 3gur h LEU 20 N 0.56 0.68 -0.17 2.25 3.38 -0.94 -0.71 115.31 120.35 3gur h LEU 20 Ca 0.07 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3gur h LEU 20 Cb 0.77 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3gur h LEU 20 CO 0.06 0.41 -0.05 -0.33 0.09 0.00 0.00 178.44 178.62 3gur h GLU 21 N 0.80 0.33 -0.53 1.13 4.39 -1.08 -0.58 114.58 119.05 3gur h GLU 21 Ca 0.37 -0.13 0.04 0.00 0.34 0.00 0.00 59.36 59.99 3gur h GLU 21 Cb 0.29 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 3gur h GLU 21 CO -0.22 0.61 0.35 -0.92 -1.16 0.00 0.00 179.01 177.67 3gur h TYR 22 N 0.04 0.54 -0.29 4.33 3.20 -0.62 -2.56 116.97 121.61 3gur h TYR 22 Ca 0.04 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3gur h TYR 22 Cb 0.49 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.58 3gur h TYR 22 CO 0.05 0.31 0.00 0.25 -1.64 0.00 0.00 178.16 177.13 3gur n THR 23 N -4.47 0.37 -2.28 1.81 -2.24 -0.30 -4.90 114.28 102.26 3gur n THR 23 Ca 0.07 -0.50 -0.17 0.00 -2.27 0.00 0.00 64.05 61.18 3gur n THR 23 Cb 0.18 0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 68.89 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 0.71 -5.02 -4.77 3.42 -0.08 -0.96 -4.93 116.55 104.92 3gur n ASP 24 Ca 0.17 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 53.06 3gur n ASP 24 Cb 0.40 -4.11 -0.03 0.00 2.34 0.00 0.00 41.12 39.73 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 -2.26 6.80 -0.24 1.67 0.01 -0.25 -5.00 113.70 114.43 3gur s SER 25 Ca 0.00 2.40 -0.22 0.00 1.31 0.00 0.00 55.95 59.44 3gur s SER 25 Cb 0.00 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.59 3gur s SER 25 CO 0.00 -0.48 0.72 -0.55 0.41 0.00 0.00 173.24 173.34 3gur s SER 26 N -0.92 6.71 0.15 2.44 0.15 -1.26 -4.81 113.70 116.16 3gur s SER 26 Ca 0.51 0.88 -0.21 0.00 0.70 0.00 0.00 55.95 57.83 3gur s SER 26 Cb -0.33 -2.38 0.06 0.00 -1.71 0.00 0.00 66.02 61.66 3gur s SER 26 CO 0.42 -0.42 0.55 -0.72 1.20 0.00 0.00 173.24 174.28 3gur s TYR 27 N 2.54 -0.45 0.13 3.44 1.13 -1.26 -1.67 117.35 121.22 3gur s TYR 27 Ca 0.30 0.22 0.03 0.00 -1.41 0.00 0.00 57.07 56.22 3gur s TYR 27 Cb -0.15 0.48 -0.04 0.00 -1.10 0.00 0.00 41.96 41.14 3gur s TYR 27 CO 0.08 -0.81 -0.07 -2.00 -2.51 0.00 0.00 175.55 170.24 3gur s GLU 28 N -3.74 0.99 0.01 -3.49 2.56 0.16 -4.83 118.70 110.36 3gur s GLU 28 Ca 0.01 -1.43 0.06 0.00 0.00 0.00 0.00 54.97 53.62 3gur s GLU 28 Cb -0.00 -0.43 -0.03 0.00 2.00 0.00 0.00 34.13 35.67 3gur s GLU 28 CO -0.13 0.01 -0.19 -1.21 -0.56 0.00 0.00 175.26 173.19 3gur s GLU 29 N -3.80 2.18 -0.30 4.30 2.02 -1.26 -1.19 118.70 120.64 3gur s GLU 29 Ca 0.16 -0.90 -0.06 0.00 0.02 0.00 0.00 54.97 54.18 3gur s GLU 29 Cb 0.04 -2.20 0.01 0.00 0.10 0.00 0.00 34.13 32.08 3gur s GLU 29 CO -0.01 0.56 0.08 0.21 0.02 0.00 0.00 175.26 176.12 3gur s LYS 30 N -1.10 3.03 -0.41 1.61 2.47 0.59 -4.93 119.74 121.00 3gur s LYS 30 Ca 0.13 -0.90 -0.10 0.00 -1.56 0.00 0.00 55.97 53.54 3gur s LYS 30 Cb -0.10 -3.36 0.06 0.00 -1.46 0.00 0.00 37.83 32.96 3gur s LYS 30 CO 0.03 -0.46 0.25 0.15 0.16 0.00 0.00 175.35 175.48 3gur s LYS 31 N 1.48 2.72 0.20 4.03 1.02 -1.26 -1.53 119.74 126.40 3gur s LYS 31 Ca 0.02 -1.32 -0.23 0.00 0.02 0.00 0.00 55.97 54.47 3gur s LYS 31 Cb -0.17 -3.80 -0.08 0.00 -0.52 0.00 0.00 37.83 33.26 3gur s LYS 31 CO 0.02 -0.87 0.76 0.71 -0.92 0.00 0.00 175.35 175.05 3gur s TYR 32 N 1.49 3.77 -0.13 3.18 1.51 -0.06 -4.75 117.35 122.37 3gur s TYR 32 Ca 0.03 1.52 0.01 0.00 -1.01 0.00 0.00 57.07 57.62 3gur s TYR 32 Cb -0.22 -2.70 -0.00 0.00 -0.11 0.00 0.00 41.96 38.93 3gur s TYR 32 CO 0.04 0.42 -0.17 0.99 -1.11 0.00 0.00 175.55 175.71 3gur s THR 33 N -1.35 2.57 0.01 -0.71 2.01 -1.26 -0.54 115.64 116.36 3gur s THR 33 Ca 0.40 -0.82 -0.18 0.00 0.31 0.00 0.00 61.69 61.40 3gur s THR 33 Cb -0.20 -2.05 -0.06 0.00 0.01 0.00 0.00 72.50 70.20 3gur s THR 33 CO 0.23 0.53 0.50 -0.32 -0.69 0.00 0.00 174.62 174.88 3gur s MET 34 N 0.57 4.14 1.16 4.92 1.75 -1.26 -4.73 119.30 125.85 3gur s MET 34 Ca -0.10 0.59 -0.18 0.00 -1.25 0.00 0.00 55.69 54.74 3gur s MET 34 Cb -0.16 -3.28 0.27 0.00 2.84 0.00 0.00 34.83 34.50 3gur s MET 34 CO 0.04 0.55 1.10 0.20 -0.65 0.00 0.00 175.02 176.26 3gur s GLY 35 N -0.71 1.58 0.63 2.11 0.00 -0.04 -4.88 107.32 106.02 3gur s GLY 35 Ca 0.27 -0.81 -0.10 0.00 0.00 0.00 0.00 44.72 44.08 3gur s GLY 35 CO 0.16 0.01 1.02 0.99 0.00 0.00 0.00 173.10 175.28 3gur s ASP 36 N -3.78 5.91 0.16 1.64 1.01 -1.26 -4.10 116.67 116.25 3gur s ASP 36 Ca 0.70 1.21 -0.31 0.00 0.71 0.00 0.00 52.55 54.85 3gur s ASP 36 Cb -0.12 -2.19 -0.11 0.00 1.01 0.00 0.00 42.92 41.51 3gur s ASP 36 CO 0.56 -1.02 1.72 0.00 0.21 0.00 0.00 175.17 176.65 3gur s ALA 37 N -3.18 3.82 -0.14 5.23 0.00 -1.26 -1.51 121.76 124.72 3gur s ALA 37 Ca 0.55 1.46 0.15 0.00 0.00 0.00 0.00 51.96 54.12 3gur s ALA 37 Cb -0.11 -3.71 0.33 0.00 0.00 0.00 0.00 23.12 19.63 3gur s ALA 37 CO 0.52 -1.02 1.17 -0.35 0.00 0.00 0.00 175.76 176.07 3gur n PRO 38 N 4.73 1.20 0.00 0.00 -0.04 -1.26 -4.91 135.00 134.73 3gur n PRO 38 Ca 0.16 -2.69 0.00 0.00 -0.04 0.00 0.00 63.50 60.93 3gur n PRO 38 Cb 0.37 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 3gur n PRO 38 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3gur n ASP 39 N -1.06 0.43 -3.28 3.54 2.03 -1.08 -5.06 116.55 112.07 3gur n ASP 39 Ca 0.15 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.31 3gur n ASP 39 Cb 0.70 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 41.18 3gur n ASP 39 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3gur n TYR 40 N -2.48 -2.36 -1.55 -0.67 4.01 -0.57 -4.82 117.16 108.73 3gur n TYR 40 Ca 0.00 0.87 -0.51 0.00 -0.16 0.00 0.00 57.90 58.11 3gur n TYR 40 Cb 0.20 -4.38 -0.06 0.00 -0.31 0.00 0.00 39.34 34.78 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 -3.18 2.54 -1.14 7.72 2.03 -1.26 -4.43 116.55 118.84 3gur n ASP 41 Ca -0.13 0.61 0.10 0.00 0.52 0.00 0.00 54.79 55.89 3gur n ASP 41 Cb 0.63 -1.29 0.27 0.00 -0.72 0.00 0.00 41.12 40.01 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 7.51 2.78 0.20 -0.67 1.74 -1.26 -0.86 116.66 126.11 3gur n ARG 42 Ca 0.34 -2.48 0.11 0.00 -0.77 0.00 0.00 57.85 55.05 3gur n ARG 42 Cb 0.25 -1.48 0.65 0.00 -1.02 0.00 0.00 32.46 30.86 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 3.59 0.00 -0.58 0.55 4.64 -1.90 -0.43 113.55 119.42 3gur h SER 43 Ca 0.00 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.49 3gur h SER 43 Cb 0.92 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.98 3gur h SER 43 CO 0.00 0.00 0.42 -0.61 -0.87 0.00 0.00 176.83 175.77 3gur h GLN 44 N 0.00 0.01 0.05 4.77 4.15 -1.85 0.85 115.11 123.10 3gur h GLN 44 Ca 0.05 -0.00 -0.38 0.00 0.77 0.00 0.00 58.65 59.09 3gur h GLN 44 Cb 0.22 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.86 3gur h GLN 44 CO -0.00 0.00 -2.25 1.87 -1.93 0.00 0.00 178.83 176.52 3gur n TRP 45 N -4.36 0.56 -0.02 3.99 -0.00 -0.22 -4.24 117.44 113.15 3gur n TRP 45 Ca 0.11 0.12 0.17 0.00 -0.00 0.00 0.00 57.50 57.90 3gur n TRP 45 Cb 0.65 -1.07 0.62 0.00 -0.00 0.00 0.00 31.31 31.51 3gur n TRP 45 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 3gur h LEU 46 N -0.01 0.12 -0.43 5.87 3.38 -1.21 0.08 115.31 123.11 3gur h LEU 46 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3gur h LEU 46 Cb 1.94 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.67 3gur h LEU 46 CO -0.02 0.07 0.00 0.78 0.09 0.00 0.00 178.44 179.36 3gur h ASN 47 N 0.14 0.00 0.00 -0.43 2.35 -1.01 -3.37 115.58 113.26 3gur h ASN 47 Ca 0.25 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.97 3gur h ASN 47 Cb 0.82 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 3gur h ASN 47 CO -0.03 0.00 -1.33 -1.84 -1.65 0.00 0.00 177.43 172.57 3gur n GLU 48 N -2.77 1.01 -0.06 0.81 0.28 -0.41 -4.76 120.64 114.74 3gur n GLU 48 Ca 0.03 -0.04 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 3gur n GLU 48 Cb 0.41 -1.16 0.01 0.00 1.43 0.00 0.00 31.44 32.14 3gur n GLU 48 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 3gur n LYS 49 N -1.87 -0.04 -0.11 3.44 2.85 -0.12 0.40 118.16 122.71 3gur n LYS 49 Ca -0.04 0.26 0.06 0.00 -1.05 0.00 0.00 58.31 57.55 3gur n LYS 49 Cb 0.32 -0.39 0.22 0.00 -0.65 0.00 0.00 35.03 34.54 3gur n LYS 49 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3gur n PHE 50 N -4.25 0.30 0.25 5.58 3.72 -1.26 -3.77 117.46 118.02 3gur n PHE 50 Ca 0.02 -0.15 0.11 0.00 -0.05 0.00 0.00 57.45 57.38 3gur n PHE 50 Cb 0.07 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.52 3gur n PHE 50 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3gur n LYS 51 N 0.23 0.50 0.00 -1.08 4.81 0.16 -4.57 118.16 118.22 3gur n LYS 51 Ca 0.11 -0.07 0.11 0.00 -0.87 0.00 0.00 58.31 57.59 3gur n LYS 51 Cb 0.25 -1.60 0.04 0.00 0.02 0.00 0.00 35.03 33.74 3gur n LYS 51 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3gur n LEU 52 N -2.20 2.37 0.00 3.14 4.77 -1.25 -4.93 117.00 118.91 3gur n LEU 52 Ca -0.01 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.11 3gur n LEU 52 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3gur n LEU 52 CO 0.43 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 3gur n GLY 53 N 1.34 0.57 3.72 -0.72 0.00 -1.26 -5.02 105.19 103.82 3gur n GLY 53 Ca 0.11 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 4.38 0.17 0.99 1.43 -1.26 -4.81 118.68 119.58 3gur s LEU 54 Ca 0.00 1.54 -0.10 0.00 -1.03 0.00 0.00 54.13 54.54 3gur s LEU 54 Cb 0.00 -3.42 0.07 0.00 0.03 0.00 0.00 46.19 42.86 3gur s LEU 54 CO 0.00 -0.18 1.66 0.44 0.23 0.00 0.00 176.35 178.50 3gur h ASP 55 N 6.59 0.97 -2.66 2.29 3.32 -1.97 -3.34 116.42 121.62 3gur h ASP 55 Ca -0.41 -0.27 -0.60 0.00 0.02 0.00 0.00 57.03 55.76 3gur h ASP 55 Cb 1.21 -0.26 -0.40 0.00 0.22 0.00 0.00 39.33 40.10 3gur h ASP 55 CO 0.74 1.00 -0.75 0.49 -1.72 0.00 0.00 179.24 179.00 3gur n PHE 56 N -4.28 1.58 -1.55 4.55 3.01 -1.26 -5.11 117.46 114.41 3gur n PHE 56 Ca 0.03 -3.89 -0.50 0.00 1.01 0.00 0.00 57.45 54.10 3gur n PHE 56 Cb 0.29 -0.29 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 3gur n PHE 56 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3gur n PRO 57 N 2.10 0.91 -3.58 -1.08 -0.02 -1.26 -4.85 135.00 127.22 3gur n PRO 57 Ca 0.25 0.32 -0.05 0.00 -2.02 0.00 0.00 63.50 62.00 3gur n PRO 57 Cb 0.41 -1.77 -0.02 0.00 -0.02 0.00 0.00 33.50 32.10 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 -0.12 -0.18 -0.12 2.55 3.84 -1.26 -5.11 114.94 114.53 3gur s ASN 58 Ca 0.74 0.03 0.02 0.00 0.21 0.00 0.00 52.86 53.85 3gur s ASN 58 Cb -0.91 0.19 -0.01 0.00 -0.55 0.00 0.00 41.25 39.98 3gur s ASN 58 CO 0.53 -0.29 -0.18 -0.76 -2.79 0.00 0.00 177.10 173.61 3gur s LEU 59 N -2.09 2.43 0.48 3.21 1.43 -1.26 -3.68 118.68 119.21 3gur s LEU 59 Ca 0.08 -0.44 -0.13 0.00 -1.03 0.00 0.00 54.13 52.61 3gur s LEU 59 Cb -0.01 -1.52 -0.06 0.00 0.03 0.00 0.00 46.19 44.62 3gur s LEU 59 CO -0.05 0.15 0.89 -2.16 0.23 0.00 0.00 176.35 175.41 3gur s PRO 60 N 0.41 3.80 0.21 1.29 0.04 -1.26 -4.96 135.00 134.54 3gur s PRO 60 Ca -0.13 0.68 0.09 0.00 0.04 0.00 0.00 61.00 61.67 3gur s PRO 60 Cb -0.17 -2.24 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 3gur s PRO 60 CO 0.06 -0.22 -0.16 1.52 0.04 0.00 0.00 177.00 178.25 3gur s TYR 61 N -2.61 1.82 -0.04 0.56 -0.85 -0.04 -3.77 117.35 112.41 3gur s TYR 61 Ca 0.54 -0.52 0.01 0.00 -0.52 0.00 0.00 57.07 56.58 3gur s TYR 61 Cb -0.10 -0.84 0.02 0.00 0.38 0.00 0.00 41.96 41.42 3gur s TYR 61 CO 0.35 0.42 -0.03 -1.17 -1.52 0.00 0.00 175.55 173.61 3gur s LEU 62 N -3.28 1.22 -0.29 -3.49 2.96 0.71 -0.61 118.68 115.89 3gur s LEU 62 Ca 0.23 -0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 54.01 3gur s LEU 62 Cb -0.02 -0.37 0.03 0.00 0.50 0.00 0.00 46.19 46.33 3gur s LEU 62 CO 0.08 -0.08 0.03 -0.63 -1.32 0.00 0.00 176.35 174.43 3gur s ILE 63 N 1.02 3.43 -0.59 6.68 -1.09 -0.08 -0.79 121.20 129.79 3gur s ILE 63 Ca -0.10 -0.98 0.05 0.00 -2.23 0.00 0.00 60.65 57.40 3gur s ILE 63 Cb -0.14 -2.82 0.20 0.00 -1.58 0.00 0.00 42.46 38.11 3gur s ILE 63 CO -0.01 0.05 0.52 -0.67 -1.23 0.00 0.00 174.94 173.60 3gur n ASP 64 N 4.76 2.04 0.00 3.58 2.03 -0.12 -1.70 116.55 127.14 3gur n ASP 64 Ca -0.15 -3.01 0.00 0.00 0.52 0.00 0.00 54.79 52.16 3gur n ASP 64 Cb 0.46 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 3gur n ASP 64 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gur n GLY 65 N 1.85 2.74 0.06 0.27 0.00 -1.26 -2.73 105.19 106.13 3gur n GLY 65 Ca 0.25 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 0.58 -3.13 2.61 -2.24 -1.26 -4.77 114.28 106.07 3gur n THR 66 Ca 0.00 0.03 -0.40 0.00 -2.27 0.00 0.00 64.05 61.41 3gur n THR 66 Cb 0.00 -0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 67.38 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 -3.10 3.37 -0.36 4.78 3.76 -1.10 -5.03 115.29 117.61 3gur s HIS 67 Ca 0.09 0.91 0.03 0.00 -0.15 0.00 0.00 55.06 55.94 3gur s HIS 67 Cb 0.13 -2.79 0.11 0.00 1.11 0.00 0.00 32.58 31.13 3gur s HIS 67 CO 0.46 -0.17 0.10 0.15 -0.85 0.00 0.00 174.74 174.42 3gur s LYS 68 N 1.90 1.30 -0.13 1.40 3.01 -1.26 -0.94 119.74 125.02 3gur s LYS 68 Ca 0.28 -1.74 -0.04 0.00 -1.01 0.00 0.00 55.97 53.47 3gur s LYS 68 Cb -0.16 -2.83 -0.03 0.00 -1.01 0.00 0.00 37.83 33.80 3gur s LYS 68 CO 0.10 -0.98 -0.00 0.42 0.51 0.00 0.00 175.35 175.40 3gur s ILE 69 N 0.95 4.25 0.49 2.17 -1.09 0.03 -4.68 121.20 123.32 3gur s ILE 69 Ca 0.12 -0.24 0.03 0.00 -2.23 0.00 0.00 60.65 58.32 3gur s ILE 69 Cb -0.20 -2.84 -0.02 0.00 -1.58 0.00 0.00 42.46 37.82 3gur s ILE 69 CO -0.11 0.53 0.08 0.42 -1.23 0.00 0.00 174.94 174.63 3gur s THR 70 N -0.16 1.47 0.02 2.92 -4.23 -1.26 -0.21 115.64 114.18 3gur s THR 70 Ca 0.05 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 3gur s THR 70 Cb -0.13 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.35 3gur s THR 70 CO 0.02 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.10 3gur n GLN 71 N -1.29 -0.80 -0.27 3.99 1.13 -1.25 -4.43 117.38 114.47 3gur n GLN 71 Ca -0.13 1.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.92 3gur n GLN 71 Cb 0.66 -0.89 0.11 0.00 0.11 0.00 0.00 30.24 30.24 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 0.64 0.73 -0.88 1.08 4.64 -1.93 -0.29 113.55 117.54 3gur h SER 72 Ca 0.00 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 3gur h SER 72 Cb 0.00 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 61.91 3gur h SER 72 CO 0.00 0.48 0.49 0.78 -0.87 0.00 0.00 176.83 177.71 3gur h ASN 73 N 0.87 1.10 0.16 4.97 2.35 -1.96 -0.76 115.58 122.30 3gur h ASN 73 Ca 0.33 -0.09 -0.12 0.00 -0.55 0.00 0.00 56.30 55.86 3gur h ASN 73 Cb 0.13 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3gur h ASN 73 CO -0.16 0.87 -0.45 0.00 -1.65 0.00 0.00 177.43 176.05 3gur h ALA 74 N 1.30 0.97 -0.21 -0.83 0.00 -1.36 -0.79 119.26 118.33 3gur h ALA 74 Ca 0.31 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3gur h ALA 74 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3gur h ALA 74 CO -0.05 0.64 -0.06 0.82 0.00 0.00 0.00 179.25 180.60 3gur h ILE 75 N 0.29 1.29 -0.86 0.00 2.04 -0.79 -1.79 117.51 117.69 3gur h ILE 75 Ca 0.02 -1.05 0.02 0.00 1.00 0.00 0.00 64.86 64.84 3gur h ILE 75 Cb 0.91 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 38.48 3gur h ILE 75 CO 0.08 0.32 0.57 -0.07 0.00 0.00 0.00 178.15 179.05 3gur h LEU 76 N 0.14 0.97 -0.39 1.44 3.38 -0.83 -2.05 115.31 117.97 3gur h LEU 76 Ca 0.05 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 3gur h LEU 76 Cb 0.51 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3gur h LEU 76 CO 0.02 0.69 -0.75 0.03 0.09 0.00 0.00 178.44 178.52 3gur h ARG 77 N 1.14 0.38 -0.18 1.13 3.08 -1.11 -1.38 114.38 117.44 3gur h ARG 77 Ca 0.32 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gur h ARG 77 Cb -0.09 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3gur h ARG 77 CO -0.08 0.97 0.11 -0.92 -1.07 0.00 0.00 179.97 178.98 3gur h TYR 78 N 0.26 0.24 -0.20 3.04 3.20 -0.88 -1.82 116.97 120.80 3gur h TYR 78 Ca -0.03 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.73 3gur h TYR 78 Cb 1.33 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.52 3gur h TYR 78 CO 0.04 0.19 -0.27 0.82 -1.64 0.00 0.00 178.16 177.30 3gur h ILE 79 N 0.22 1.33 -0.73 1.81 2.04 -1.38 -3.11 117.51 117.69 3gur h ILE 79 Ca 0.07 -1.48 0.12 0.00 1.00 0.00 0.00 64.86 64.57 3gur h ILE 79 Cb 0.02 1.81 -0.08 0.00 -0.74 0.00 0.00 36.82 37.83 3gur h ILE 79 CO -0.01 0.45 0.31 0.00 0.00 0.00 0.00 178.15 178.90 3gur h ALA 80 N 0.62 1.01 -0.44 1.87 0.00 -1.16 -2.45 119.26 118.71 3gur h ALA 80 Ca 0.02 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3gur h ALA 80 Cb 0.85 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3gur h ALA 80 CO 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 179.25 179.14 3gur h ARG 81 N 0.49 0.72 0.00 0.00 3.08 -1.30 0.24 114.38 117.62 3gur h ARG 81 Ca 0.38 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3gur h ARG 81 Cb 0.52 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3gur h ARG 81 CO -0.35 0.75 0.00 1.63 -1.07 0.00 0.00 179.97 180.93 3gur n LYS 82 N -4.22 0.09 -0.16 0.04 5.02 -0.93 -3.24 118.16 114.77 3gur n LYS 82 Ca 0.02 0.45 0.02 0.00 -2.02 0.00 0.00 58.31 56.78 3gur n LYS 82 Cb 0.30 -1.72 0.03 0.00 -0.02 0.00 0.00 35.03 33.62 3gur n LYS 82 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3gur n HIS 83 N -1.89 0.00 -3.85 2.13 8.25 -0.58 -5.00 115.22 114.27 3gur n HIS 83 Ca 0.01 -0.30 -0.27 0.00 -0.26 0.00 0.00 57.72 56.89 3gur n HIS 83 Cb 0.11 -0.05 0.02 0.00 1.12 0.00 0.00 29.99 31.19 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 -0.39 -3.40 -2.42 0.41 5.15 -0.74 -4.90 115.26 108.97 3gur n ASN 84 Ca 0.03 -0.81 -0.29 0.00 -0.60 0.00 0.00 54.58 52.92 3gur n ASN 84 Cb 0.53 -3.88 0.02 0.00 -0.53 0.00 0.00 39.78 35.92 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 -4.54 5.44 -4.33 1.20 4.77 -0.03 -5.00 117.00 114.51 3gur n LEU 85 Ca -0.08 -4.97 -0.17 0.00 -0.03 0.00 0.00 56.01 50.76 3gur n LEU 85 Cb 0.58 -0.56 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 3gur n LEU 85 CO 0.73 2.07 -0.40 0.00 -1.33 0.00 0.00 177.39 178.47 3gur n GLY 87 N -0.36 0.89 0.18 0.00 0.00 -1.26 -4.96 105.19 99.68 3gur n GLY 87 Ca -0.08 0.34 -0.24 0.00 0.00 0.00 0.00 46.02 46.05 3gur n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gur n GLU 88 N 0.79 0.56 -2.29 1.61 1.02 -1.26 -4.67 120.64 116.39 3gur n GLU 88 Ca 0.04 0.20 -0.25 0.00 -0.02 0.00 0.00 57.16 57.13 3gur n GLU 88 Cb 0.37 -1.43 0.06 0.00 -0.02 0.00 0.00 31.44 30.41 3gur n GLU 88 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3gur s SER 89 N -6.94 5.04 0.08 1.62 1.04 -1.26 -4.90 113.70 108.37 3gur s SER 89 Ca -0.34 0.46 -0.35 0.00 0.48 0.00 0.00 55.95 56.20 3gur s SER 89 Cb 0.12 -1.21 -0.18 0.00 0.10 0.00 0.00 66.02 64.85 3gur s SER 89 CO 0.48 -1.43 1.59 -0.08 0.98 0.00 0.00 173.24 174.79 3gur h GLU 90 N -0.43 -0.98 -0.61 4.02 4.57 -1.98 0.37 114.58 119.53 3gur h GLU 90 Ca -0.44 0.07 0.10 0.00 -1.18 0.00 0.00 59.36 57.90 3gur h GLU 90 Cb 1.30 0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 30.08 3gur h GLU 90 CO 0.59 -0.65 0.41 0.87 -1.18 0.00 0.00 179.01 179.05 3gur h LYS 91 N -1.02 0.43 -0.37 1.92 1.79 -1.99 0.21 116.57 117.54 3gur h LYS 91 Ca -0.08 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.28 3gur h LYS 91 Cb 0.83 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 3gur h LYS 91 CO 0.08 0.28 -0.08 0.93 -1.08 0.00 0.00 179.45 179.59 3gur h GLU 92 N 0.44 0.71 -0.44 3.15 5.08 -1.85 -1.55 114.58 120.11 3gur h GLU 92 Ca 0.28 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 3gur h GLU 92 Cb 0.52 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3gur h GLU 92 CO -0.08 0.85 -0.03 1.96 -1.00 0.00 0.00 179.01 180.71 3gur h GLN 93 N 0.52 0.74 0.00 2.33 4.20 0.82 -0.04 115.11 123.69 3gur h GLN 93 Ca 0.10 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 3gur h GLN 93 Cb 0.58 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.28 3gur h GLN 93 CO 0.03 0.78 -0.00 0.82 -0.67 0.00 0.00 178.83 179.79 3gur h ILE 94 N 0.69 1.10 -0.77 2.54 2.04 -0.54 -1.77 117.51 120.80 3gur h ILE 94 Ca 0.13 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 3gur h ILE 94 Cb 0.47 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 3gur h ILE 94 CO 0.02 0.08 0.38 0.03 0.00 0.00 0.00 178.15 178.66 3gur h ARG 95 N -0.13 1.11 -0.49 2.37 3.08 -1.09 -1.11 114.38 118.12 3gur h ARG 95 Ca -0.00 -0.16 0.10 0.00 0.07 0.00 0.00 59.98 59.99 3gur h ARG 95 Cb 0.13 -0.20 -0.09 0.00 0.08 0.00 0.00 29.97 29.89 3gur h ARG 95 CO 0.00 0.86 -0.08 1.49 -1.07 0.00 0.00 179.97 181.17 3gur h GLU 96 N 1.09 0.04 -0.14 0.04 4.81 -0.90 -0.73 114.58 118.79 3gur h GLU 96 Ca 0.27 -0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.32 3gur h GLU 96 Cb 0.11 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3gur h GLU 96 CO -0.04 0.02 -0.62 -0.44 -0.73 0.00 0.00 179.01 177.21 3gur h ASP 97 N 0.04 0.57 -0.30 1.04 3.32 -0.62 -0.72 116.42 119.75 3gur h ASP 97 Ca 0.24 -0.33 -0.09 0.00 0.02 0.00 0.00 57.03 56.87 3gur h ASP 97 Cb 0.37 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3gur h ASP 97 CO -0.47 1.05 -0.17 0.40 -1.72 0.00 0.00 179.24 178.33 3gur h ILE 98 N 0.37 1.30 -0.14 0.35 2.04 -1.10 -2.94 117.51 117.39 3gur h ILE 98 Ca -0.01 -1.29 -0.10 0.00 1.00 0.00 0.00 64.86 64.46 3gur h ILE 98 Cb 1.18 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 3gur h ILE 98 CO 0.11 0.41 -0.30 -0.07 0.00 0.00 0.00 178.15 178.30 3gur h LEU 99 N 0.40 0.50 -0.42 1.44 3.38 -1.03 0.13 115.31 119.70 3gur h LEU 99 Ca 0.06 -0.57 0.08 0.00 0.09 0.00 0.00 57.88 57.55 3gur h LEU 99 Cb 0.71 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.23 3gur h LEU 99 CO 0.05 0.98 -0.10 -0.08 0.09 0.00 0.00 178.44 179.38 3gur h GLU 100 N 0.05 0.00 -0.09 1.13 4.81 -1.23 0.21 114.58 119.47 3gur h GLU 100 Ca 0.00 -0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 3gur h GLU 100 Cb 0.90 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.29 3gur h GLU 100 CO 0.07 0.00 -0.80 -0.91 -0.73 0.00 0.00 179.01 176.64 3gur h ASN 101 N 0.00 0.71 -0.18 1.04 2.35 -1.44 -2.59 115.58 115.48 3gur h ASN 101 Ca 0.20 -0.49 -0.02 0.00 -0.55 0.00 0.00 56.30 55.44 3gur h ASN 101 Cb 0.31 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3gur h ASN 101 CO -0.43 1.27 0.04 -0.61 -1.65 0.00 0.00 177.43 176.04 3gur h GLN 102 N 0.39 0.30 -0.21 0.81 5.75 -0.43 -2.12 115.11 119.60 3gur h GLN 102 Ca -0.05 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.33 3gur h GLN 102 Cb 1.42 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.92 3gur h GLN 102 CO 0.15 0.45 -0.05 0.74 -2.65 0.00 0.00 178.83 177.48 3gur h PHE 103 N 0.10 0.32 -0.37 3.99 0.04 -0.64 -1.45 116.94 118.94 3gur h PHE 103 Ca 0.06 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 3gur h PHE 103 Cb 0.29 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 3gur h PHE 103 CO 0.02 0.37 0.11 1.98 -0.60 0.00 0.00 178.31 180.19 3gur h MET 104 N 0.31 0.58 -0.34 1.51 4.05 -1.25 0.11 114.93 119.90 3gur h MET 104 Ca 0.07 -0.13 0.05 0.00 -0.28 0.00 0.00 59.70 59.42 3gur h MET 104 Cb 0.29 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.96 3gur h MET 104 CO 0.01 0.59 0.03 -0.44 0.23 0.00 0.00 176.91 177.34 3gur h ASP 105 N 0.45 -0.06 -0.70 1.39 3.32 -0.98 0.57 116.42 120.42 3gur h ASP 105 Ca 0.12 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 3gur h ASP 105 Cb 0.26 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 3gur h ASP 105 CO -0.00 0.00 0.30 0.28 -1.72 0.00 0.00 179.24 178.10 3gur h SER 106 N 0.14 0.95 -0.34 6.45 0.02 -1.13 -1.39 113.55 118.24 3gur h SER 106 Ca 0.16 -0.16 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3gur h SER 106 Cb 0.20 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 3gur h SER 106 CO -0.24 0.85 0.08 -0.09 -1.14 0.00 0.00 176.83 176.29 3gur h ARG 107 N 0.99 0.21 -0.18 3.45 2.43 -0.15 -2.76 114.38 118.36 3gur h ARG 107 Ca 0.23 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.31 3gur h ARG 107 Cb 0.18 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3gur h ARG 107 CO -0.02 0.14 -0.27 0.52 -1.51 0.00 0.00 179.97 178.83 3gur h MET 108 N 0.21 0.33 -0.49 0.20 2.86 -0.63 -2.16 114.93 115.26 3gur h MET 108 Ca 0.16 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 3gur h MET 108 Cb 0.16 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3gur h MET 108 CO -0.19 0.58 0.16 1.96 1.06 0.00 0.00 176.91 180.47 3gur h GLN 109 N 0.29 0.71 0.02 1.72 4.20 -0.99 0.48 115.11 121.55 3gur h GLN 109 Ca 0.04 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 3gur h GLN 109 Cb 0.63 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3gur h GLN 109 CO 0.05 0.62 -0.01 1.25 -0.67 0.00 0.00 178.83 180.07 3gur h LEU 110 N 0.70 -0.02 -0.48 1.46 5.85 -1.22 -3.06 115.31 118.54 3gur h LEU 110 Ca 0.16 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3gur h LEU 110 Cb 0.20 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3gur h LEU 110 CO -0.01 0.50 0.32 0.00 -0.34 0.00 0.00 178.44 178.91 3gur h ALA 111 N 0.41 0.61 -0.48 1.25 0.00 -1.17 -1.22 119.26 118.67 3gur h ALA 111 Ca -0.00 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.96 3gur h ALA 111 Cb 0.52 -0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.02 3gur h ALA 111 CO 0.00 0.06 -0.28 -0.22 0.00 0.00 0.00 179.25 178.82 3gur h LYS 112 N 0.65 -0.17 0.06 0.00 3.64 -0.15 -2.57 116.57 118.03 3gur h LYS 112 Ca 0.18 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3gur h LYS 112 Cb -0.07 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3gur h LYS 112 CO -0.04 -0.11 -0.11 1.25 -2.27 0.00 0.00 179.45 178.17 3gur h LEU 113 N -0.17 -0.31 -0.49 5.20 5.85 -1.30 -3.02 115.31 121.06 3gur h LEU 113 Ca 0.21 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3gur h LEU 113 Cb 0.51 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.66 3gur h LEU 113 CO -0.58 -0.17 0.00 0.00 -0.34 0.00 0.00 178.44 177.36 3gur n TYR 115 N -2.27 0.19 -2.52 0.00 4.01 -0.99 -0.52 117.16 115.08 3gur n TYR 115 Ca 0.03 0.06 -0.42 0.00 -0.16 0.00 0.00 57.90 57.41 3gur n TYR 115 Cb 0.30 -0.43 -0.03 0.00 -0.31 0.00 0.00 39.34 38.87 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 -4.09 7.14 0.27 7.72 -1.08 -0.96 -4.63 116.67 121.04 3gur s ASP 116 Ca 0.00 1.83 0.22 0.00 -0.52 0.00 0.00 52.55 54.09 3gur s ASP 116 Cb 0.14 -2.57 1.02 0.00 -1.46 0.00 0.00 42.92 40.05 3gur s ASP 116 CO 0.85 -0.46 1.68 -0.81 0.52 0.00 0.00 175.17 176.94 3gur n PRO 117 N 4.45 0.17 -0.09 4.34 -0.04 -1.26 -1.05 135.00 141.51 3gur n PRO 117 Ca 0.09 0.49 -0.01 0.00 -0.04 0.00 0.00 63.50 64.03 3gur n PRO 117 Cb 0.47 -1.89 0.02 0.00 -0.04 0.00 0.00 33.50 32.07 3gur n PRO 117 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3gur n ASP 118 N -2.22 2.25 -0.19 3.54 9.92 -1.26 -4.55 116.55 124.05 3gur n ASP 118 Ca 0.01 -2.11 -0.05 0.00 -0.53 0.00 0.00 54.79 52.11 3gur n ASP 118 Cb 0.16 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 40.12 3gur n ASP 118 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 3gur h PHE 119 N 0.21 -0.90 -0.75 1.24 3.57 -1.33 0.81 116.94 119.79 3gur h PHE 119 Ca 0.03 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 3gur h PHE 119 Cb 0.90 0.48 -0.04 0.00 2.79 0.00 0.00 35.95 40.08 3gur h PHE 119 CO 0.11 -0.38 0.46 0.93 -2.23 0.00 0.00 178.31 177.21 3gur h GLU 120 N -0.17 1.02 -0.35 1.11 4.39 -1.87 0.38 114.58 119.09 3gur h GLU 120 Ca 0.22 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.78 3gur h GLU 120 Cb 0.54 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3gur h GLU 120 CO -0.65 0.71 0.00 0.87 -1.16 0.00 0.00 179.01 178.78 3gur h LYS 121 N 1.03 0.61 0.00 2.33 6.56 -1.67 -3.28 116.57 122.15 3gur h LYS 121 Ca 0.27 -0.19 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 3gur h LYS 121 Cb -0.05 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.56 3gur h LYS 121 CO -0.05 0.73 -0.35 1.28 -2.06 0.00 0.00 179.45 178.99 3gur n LEU 122 N -4.51 0.58 -0.04 2.94 4.77 0.19 -4.22 117.00 116.72 3gur n LEU 122 Ca -0.02 0.31 -0.08 0.00 -0.03 0.00 0.00 56.01 56.19 3gur n LEU 122 Cb 0.27 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3gur n LEU 122 CO 0.40 -0.04 0.81 0.50 -1.33 0.00 0.00 177.39 177.72 3gur h LYS 123 N 0.00 -0.05 -0.45 3.23 3.64 -0.31 -3.05 116.57 119.58 3gur h LYS 123 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3gur h LYS 123 Cb 0.66 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 3gur h LYS 123 CO 0.00 -0.03 0.19 -1.00 -2.27 0.00 0.00 179.45 176.33 3gur h PRO 124 N -0.05 0.64 0.00 1.90 0.13 -1.76 -2.41 132.00 130.44 3gur h PRO 124 Ca 0.10 -0.08 -0.10 0.00 -0.87 0.00 0.00 66.00 65.05 3gur h PRO 124 Cb 0.21 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.21 3gur h PRO 124 CO -0.23 0.52 -0.46 1.05 -0.23 0.00 0.00 178.00 178.64 3gur h GLU 125 N 0.63 0.00 -0.28 0.86 9.09 -1.80 0.23 114.58 123.31 3gur h GLU 125 Ca 0.16 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.53 3gur h GLU 125 Cb 0.11 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.20 3gur h GLU 125 CO -0.02 0.46 0.02 -0.92 0.05 0.00 0.00 179.01 178.61 3gur h TYR 126 N 0.00 0.52 -0.18 2.06 3.20 -1.38 -2.99 116.97 118.21 3gur h TYR 126 Ca -0.00 -0.08 -0.08 0.00 3.14 0.00 0.00 58.73 61.70 3gur h TYR 126 Cb 0.92 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 3gur h TYR 126 CO 0.00 0.61 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.83 3gur h LEU 127 N 0.29 0.32 -0.85 2.82 3.38 -1.03 -0.28 115.31 119.95 3gur h LEU 127 Ca 0.08 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3gur h LEU 127 Cb 0.39 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3gur h LEU 127 CO 0.01 0.57 0.40 1.56 0.09 0.00 0.00 178.44 181.07 3gur h GLN 128 N 0.30 1.23 0.00 1.13 4.20 -0.96 -3.19 115.11 117.81 3gur h GLN 128 Ca 0.05 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3gur h GLN 128 Cb 0.58 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3gur h GLN 128 CO 0.04 0.95 -0.57 0.00 -0.67 0.00 0.00 178.83 178.58 3gur n ALA 129 N -2.42 3.41 -0.09 3.87 0.00 -0.86 -4.33 120.51 120.08 3gur n ALA 129 Ca 0.08 -0.33 -0.08 0.00 0.00 0.00 0.00 53.44 53.11 3gur n ALA 129 Cb 0.15 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 0.24 -0.99 0.00 5.85 -1.05 -2.89 115.31 116.47 3gur h LEU 130 Ca 0.00 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.84 3gur h LEU 130 Cb 0.57 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.49 3gur h LEU 130 CO 0.00 0.18 0.63 -0.65 -0.34 0.00 0.00 178.44 178.26 3gur h PRO 131 N 0.34 1.00 -0.39 5.25 0.11 -1.75 -1.31 132.00 135.25 3gur h PRO 131 Ca 0.14 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.09 3gur h PRO 131 Cb 0.05 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 30.92 3gur h PRO 131 CO -0.09 0.66 -0.14 1.49 -0.21 0.00 0.00 178.00 179.70 3gur h GLU 132 N 1.03 0.70 -0.39 1.05 4.57 -1.80 0.91 114.58 120.65 3gur h GLU 132 Ca 0.47 -0.24 -0.03 0.00 -1.18 0.00 0.00 59.36 58.38 3gur h GLU 132 Cb 0.40 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 3gur h GLU 132 CO -0.24 0.82 0.12 1.98 -1.18 0.00 0.00 179.01 180.51 3gur h MET 133 N 0.63 0.61 -0.38 1.92 4.05 -1.19 -2.84 114.93 117.73 3gur h MET 133 Ca 0.10 -0.13 -0.14 0.00 -0.28 0.00 0.00 59.70 59.25 3gur h MET 133 Cb 0.61 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.31 3gur h MET 133 CO 0.04 0.61 -0.32 -0.07 0.23 0.00 0.00 176.91 177.41 3gur h LEU 134 N 0.49 0.94 -0.72 3.39 3.38 -0.92 -2.74 115.31 119.12 3gur h LEU 134 Ca 0.13 -0.45 0.15 0.00 0.09 0.00 0.00 57.88 57.80 3gur h LEU 134 Cb 0.26 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 40.64 3gur h LEU 134 CO -0.00 1.19 0.20 0.50 0.09 0.00 0.00 178.44 180.42 3gur h LYS 135 N 0.70 0.30 -0.78 1.13 3.64 -0.83 -0.09 116.57 120.64 3gur h LYS 135 Ca 0.07 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3gur h LYS 135 Cb 0.90 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.62 3gur h LYS 135 CO 0.08 0.20 0.37 -0.07 -2.27 0.00 0.00 179.45 177.76 3gur h LEU 136 N 0.31 1.02 -0.46 5.20 3.38 -1.24 0.14 115.31 123.65 3gur h LEU 136 Ca 0.40 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 58.08 3gur h LEU 136 Cb 0.66 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3gur h LEU 136 CO -0.47 0.86 -0.57 1.88 0.09 0.00 0.00 178.44 180.23 3gur h TYR 137 N 1.11 0.76 0.10 1.13 0.05 -1.18 -2.50 116.97 116.44 3gur h TYR 137 Ca 0.27 -0.28 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3gur h TYR 137 Cb 0.12 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 3gur h TYR 137 CO 0.01 1.03 -0.08 1.03 -1.05 0.00 0.00 178.16 179.10 3gur h SER 138 N 0.46 -0.21 -0.53 3.88 0.87 -0.61 -0.57 113.55 116.84 3gur h SER 138 Ca 0.00 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 3gur h SER 138 Cb 1.13 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 63.13 3gur h SER 138 CO 0.11 -0.13 0.25 1.56 -0.53 0.00 0.00 176.83 178.10 3gur h GLN 139 N -0.19 0.81 -0.14 2.24 4.20 -1.01 0.12 115.11 121.13 3gur h GLN 139 Ca -0.00 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 3gur h GLN 139 Cb 0.18 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 3gur h GLN 139 CO -0.01 0.64 -0.07 0.35 -0.67 0.00 0.00 178.83 179.07 3gur h PHE 140 N 0.81 0.35 -0.21 2.96 3.57 -1.30 -3.29 116.94 119.82 3gur h PHE 140 Ca 0.20 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 3gur h PHE 140 Cb 0.12 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 3gur h PHE 140 CO 0.01 0.63 -0.00 1.25 -2.23 0.00 0.00 178.31 177.97 3gur h LEU 141 N -0.03 0.36 0.00 0.59 5.85 -0.78 -3.47 115.31 117.83 3gur h LEU 141 Ca 0.03 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3gur h LEU 141 Cb 0.54 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3gur h LEU 141 CO 0.02 0.58 0.00 0.61 -0.34 0.00 0.00 178.44 179.32 3gur n GLY 142 N -0.31 0.99 0.87 3.75 0.00 -0.00 -2.44 105.19 108.05 3gur n GLY 142 Ca -0.04 0.28 0.12 0.00 0.00 0.00 0.00 46.02 46.38 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 1.36 2.17 -2.19 1.61 -0.00 -1.26 -4.89 118.16 114.96 3gur n LYS 143 Ca 0.00 -1.76 -0.37 0.00 -0.00 0.00 0.00 58.31 56.18 3gur n LYS 143 Cb 0.00 -1.46 0.00 0.00 -0.00 0.00 0.00 35.03 33.57 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 -2.04 3.58 0.27 -1.58 -0.21 -1.02 -4.98 119.66 113.68 3gur s GLN 144 Ca 0.28 1.81 0.12 0.00 0.02 0.00 0.00 55.36 57.59 3gur s GLN 144 Cb 0.20 -2.30 0.29 0.00 1.00 0.00 0.00 33.01 32.20 3gur s GLN 144 CO 0.32 -0.70 1.56 -1.00 -2.12 0.00 0.00 175.29 173.35 3gur h PRO 145 N 1.79 0.00 -4.33 2.91 0.13 -1.89 -3.47 132.00 127.14 3gur h PRO 145 Ca -0.50 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.49 3gur h PRO 145 Cb 1.26 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.24 3gur h PRO 145 CO 0.59 0.63 -0.68 -1.58 -0.23 0.00 0.00 178.00 176.72 3gur s TRP 146 N -3.36 0.61 0.39 1.56 0.52 -0.98 -4.94 118.94 112.74 3gur s TRP 146 Ca 0.00 -1.05 0.31 0.00 0.02 0.00 0.00 56.10 55.38 3gur s TRP 146 Cb 0.11 -0.42 1.55 0.00 -1.15 0.00 0.00 33.47 33.56 3gur s TRP 146 CO 0.75 -0.34 2.09 0.74 0.02 0.00 0.00 176.95 180.21 3gur h PHE 147 N 3.10 0.00 -0.70 -1.98 0.04 -1.91 -1.54 116.94 113.95 3gur h PHE 147 Ca -0.34 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.43 3gur h PHE 147 Cb 1.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.30 3gur h PHE 147 CO 0.54 0.09 0.00 1.28 -0.60 0.00 0.00 178.31 179.62 3gur n LEU 148 N -3.47 4.19 0.00 1.54 4.77 -1.26 -4.93 117.00 117.84 3gur n LEU 148 Ca -0.01 -2.14 0.00 0.00 -0.03 0.00 0.00 56.01 53.82 3gur n LEU 148 Cb 0.23 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3gur n LEU 148 CO 0.28 0.93 0.00 0.61 -1.33 0.00 0.00 177.39 177.88 3gur n GLY 149 N 1.46 0.25 0.11 -0.72 0.00 -0.58 -4.75 105.19 100.95 3gur n GLY 149 Ca 0.25 -1.41 0.01 0.00 0.00 0.00 0.00 46.02 44.86 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 -3.18 1.61 3.32 -1.98 -2.61 116.42 113.59 3gur h ASP 150 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 3gur h ASP 150 Cb 0.00 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.44 3gur h ASP 150 CO 0.00 0.55 -0.64 -1.59 -1.72 0.00 0.00 179.24 175.83 3gur s LYS 151 N -2.94 2.61 0.19 3.56 -2.85 -1.26 -4.83 119.74 114.22 3gur s LYS 151 Ca 0.00 -0.86 -0.29 0.00 -1.00 0.00 0.00 55.97 53.82 3gur s LYS 151 Cb 0.08 -2.55 -0.08 0.00 -2.06 0.00 0.00 37.83 33.22 3gur s LYS 151 CO 0.78 0.52 0.90 -1.50 0.10 0.00 0.00 175.35 176.16 3gur s ILE 152 N -1.44 4.24 0.34 3.79 2.07 -1.26 -4.59 121.20 124.35 3gur s ILE 152 Ca 0.27 1.98 0.03 0.00 -1.41 0.00 0.00 60.65 61.53 3gur s ILE 152 Cb -0.11 -4.28 -0.04 0.00 0.13 0.00 0.00 42.46 38.16 3gur s ILE 152 CO 0.19 0.47 0.11 0.42 -1.91 0.00 0.00 174.94 174.22 3gur s THR 153 N -0.91 0.71 0.56 4.00 -4.23 -1.26 -4.74 115.64 109.76 3gur s THR 153 Ca 0.41 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.16 3gur s THR 153 Cb -0.25 -2.55 0.34 0.00 1.34 0.00 0.00 72.50 71.39 3gur s THR 153 CO 0.30 0.00 2.10 2.19 -0.54 0.00 0.00 174.62 178.67 3gur h PHE 154 N 2.05 0.00 0.00 3.99 -0.00 -1.65 -1.09 116.94 120.24 3gur h PHE 154 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.60 3gur h PHE 154 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.21 3gur h PHE 154 CO 0.99 0.00 0.00 -0.24 -0.00 0.00 0.00 178.31 179.06 3gur h VAL 155 N 0.00 0.00 -0.13 0.88 3.04 -1.95 -1.24 116.25 116.84 3gur h VAL 155 Ca 0.09 -0.37 -0.12 0.00 -1.01 0.00 0.00 66.70 65.30 3gur h VAL 155 Cb 0.44 1.29 -0.01 0.00 -2.01 0.00 0.00 31.29 30.99 3gur h VAL 155 CO -0.00 0.00 -0.45 0.44 -1.01 0.00 0.00 177.57 176.55 3gur h ASP 156 N 0.00 0.33 -0.24 3.17 3.32 -1.60 0.36 116.42 121.76 3gur h ASP 156 Ca 0.00 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.76 3gur h ASP 156 Cb 0.40 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3gur h ASP 156 CO 0.00 0.74 -0.33 -0.26 -1.72 0.00 0.00 179.24 177.67 3gur h PHE 157 N 0.26 0.89 -0.09 4.55 -1.00 -1.34 0.28 116.94 120.47 3gur h PHE 157 Ca 0.02 -0.24 -0.02 0.00 2.81 0.00 0.00 57.97 60.54 3gur h PHE 157 Cb 0.89 -0.20 -0.00 0.00 3.61 0.00 0.00 35.95 40.25 3gur h PHE 157 CO 0.02 0.99 -0.00 0.82 -1.61 0.00 0.00 178.31 178.52 3gur h ILE 158 N 0.64 1.26 -0.07 -0.55 2.04 -1.43 -2.51 117.51 116.89 3gur h ILE 158 Ca 0.07 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.14 3gur h ILE 158 Cb 0.87 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 3gur h ILE 158 CO 0.08 0.23 -0.09 0.00 0.00 0.00 0.00 178.15 178.37 3gur h ALA 159 N 0.73 -0.04 -0.54 1.87 0.00 -0.67 -1.41 119.26 119.20 3gur h ALA 159 Ca 0.03 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3gur h ALA 159 Cb 0.36 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 3gur h ALA 159 CO 0.01 -0.56 0.17 -0.92 0.00 0.00 0.00 179.25 177.94 3gur h TYR 160 N -0.12 0.29 0.01 0.00 3.20 -0.49 0.15 116.97 120.00 3gur h TYR 160 Ca 0.06 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.97 3gur h TYR 160 Cb 0.20 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3gur h TYR 160 CO -0.19 0.06 -0.08 0.22 -1.64 0.00 0.00 178.16 176.53 3gur h ASP 161 N 0.33 -0.22 -0.22 -2.11 3.58 -0.95 0.94 116.42 117.77 3gur h ASP 161 Ca 0.27 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.70 3gur h ASP 161 Cb 0.33 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 3gur h ASP 161 CO -0.30 -0.12 -0.06 0.58 -2.88 0.00 0.00 179.24 176.46 3gur h VAL 162 N -0.15 1.29 -0.36 2.25 2.07 -0.85 -2.01 116.25 118.50 3gur h VAL 162 Ca 0.03 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 3gur h VAL 162 Cb 0.18 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3gur h VAL 162 CO -0.07 0.33 0.09 -0.07 0.02 0.00 0.00 177.57 177.87 3gur h LEU 163 N 0.16 0.55 -0.43 2.57 4.07 -0.93 -2.90 115.31 118.39 3gur h LEU 163 Ca 0.05 -0.23 -0.13 0.00 0.08 0.00 0.00 57.88 57.66 3gur h LEU 163 Cb 0.52 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 3gur h LEU 163 CO 0.02 0.63 -0.22 -0.08 -1.08 0.00 0.00 178.44 177.71 3gur h GLU 164 N 0.43 0.91 0.00 1.13 4.22 -0.79 -2.63 114.58 117.84 3gur h GLU 164 Ca 0.11 -0.40 0.00 0.00 0.08 0.00 0.00 59.36 59.15 3gur h GLU 164 Cb 0.30 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3gur h GLU 164 CO 0.00 1.06 0.00 0.07 -2.18 0.00 0.00 179.01 177.96 3gur h ARG 165 N 0.73 0.00 -0.06 1.92 0.11 -1.39 -1.50 114.38 114.20 3gur h ARG 165 Ca 0.09 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.02 3gur h ARG 165 Cb 0.79 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.86 3gur h ARG 165 CO 0.07 0.00 -0.66 -0.91 0.10 0.00 0.00 179.97 178.56 3gur h ASN 166 N 0.00 0.29 -0.50 0.08 2.35 -1.29 -2.66 115.58 113.85 3gur h ASN 166 Ca 0.00 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.50 3gur h ASN 166 Cb 0.55 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 3gur h ASN 166 CO 0.00 0.87 0.08 -0.61 -1.65 0.00 0.00 177.43 176.12 3gur h GLN 167 N 0.18 0.89 -0.24 0.81 4.15 -0.94 0.42 115.11 120.38 3gur h GLN 167 Ca -0.01 -0.22 -0.04 0.00 0.77 0.00 0.00 58.65 59.15 3gur h GLN 167 Cb 1.20 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 3gur h GLN 167 CO 0.10 0.84 -0.03 0.28 -1.93 0.00 0.00 178.83 178.09 3gur h VAL 168 N 0.84 1.17 0.02 2.39 2.07 -1.33 -1.49 116.25 119.92 3gur h VAL 168 Ca 0.17 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 3gur h VAL 168 Cb 0.39 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3gur h VAL 168 CO 0.01 0.22 -0.01 0.15 0.02 0.00 0.00 177.57 177.96 3gur h PHE 169 N 0.35 -0.02 -3.31 1.57 3.57 -0.96 -3.41 116.94 114.73 3gur h PHE 169 Ca 0.08 -0.00 -0.62 0.00 3.53 0.00 0.00 57.97 60.96 3gur h PHE 169 Cb 0.29 0.01 -0.40 0.00 2.79 0.00 0.00 35.95 38.63 3gur h PHE 169 CO 0.01 0.71 -0.73 -2.00 -2.23 0.00 0.00 178.31 174.07 3gur s GLU 170 N -2.49 1.21 0.50 1.11 2.56 0.14 -5.03 118.70 116.70 3gur s GLU 170 Ca -0.15 -1.69 0.29 0.00 0.00 0.00 0.00 54.97 53.41 3gur s GLU 170 Cb -0.02 -2.59 1.39 0.00 2.00 0.00 0.00 34.13 34.92 3gur s GLU 170 CO 0.56 -1.02 1.85 -1.35 -0.56 0.00 0.00 175.26 174.74 3gur h PRO 171 N 7.47 0.11 -0.68 4.30 0.11 -1.49 -1.14 132.00 140.68 3gur h PRO 171 Ca -0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3gur h PRO 171 Cb 0.98 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3gur h PRO 171 CO 0.51 0.07 0.00 -1.13 -0.21 0.00 0.00 178.00 177.25 3gur n SER 172 N -4.33 4.28 0.26 -2.05 3.41 -1.26 -4.60 113.62 109.32 3gur n SER 172 Ca 0.21 -2.26 0.15 0.00 -0.26 0.00 0.00 58.87 56.72 3gur n SER 172 Cb 0.98 -0.53 0.65 0.00 -0.26 0.00 0.00 64.21 65.05 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 -3.22 2.45 0.00 0.00 4.77 -1.26 -4.49 117.00 115.25 3gur n LEU 174 Ca 0.00 -0.87 0.08 0.00 -0.03 0.00 0.00 56.01 55.20 3gur n LEU 174 Cb 0.33 -0.04 0.49 0.00 -2.33 0.00 0.00 43.42 41.87 3gur n LEU 174 CO 0.29 0.43 1.16 0.44 -1.33 0.00 0.00 177.39 178.38 3gur h ASP 175 N 3.71 0.35 0.58 -1.43 3.32 -1.79 -0.30 116.42 120.85 3gur h ASP 175 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gur h ASP 175 Cb 0.79 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3gur h ASP 175 CO 0.00 0.24 -0.12 0.00 -1.72 0.00 0.00 179.24 177.63 3gur n ALA 176 N -2.51 2.73 -3.49 3.45 0.00 -1.26 -4.47 120.51 114.95 3gur n ALA 176 Ca 0.05 -0.22 -0.27 0.00 0.00 0.00 0.00 53.44 53.01 3gur n ALA 176 Cb 0.21 -1.36 -0.09 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.23 2.16 -0.32 0.00 3.72 -0.12 -4.98 117.46 116.70 3gur n PHE 177 Ca 0.11 -3.97 0.18 0.00 -0.05 0.00 0.00 57.45 53.72 3gur n PHE 177 Cb 0.30 -0.43 0.37 0.00 -0.94 0.00 0.00 39.48 38.78 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 4.63 0.29 -0.94 -1.08 0.11 -1.78 -0.75 132.00 132.49 3gur h PRO 178 Ca 0.17 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.33 3gur h PRO 178 Cb 0.76 -0.07 -0.07 0.00 0.11 0.00 0.00 31.00 31.74 3gur h PRO 178 CO 0.67 0.19 0.59 -2.95 -0.21 0.00 0.00 178.00 176.30 3gur h ASN 179 N 0.30 0.94 -0.41 -2.05 7.08 -1.92 -0.10 115.58 119.42 3gur h ASN 179 Ca 0.63 0.02 -0.11 0.00 -3.08 0.00 0.00 56.30 53.76 3gur h ASN 179 Cb 1.34 -0.18 -0.02 0.00 -2.08 0.00 0.00 38.32 37.39 3gur h ASN 179 CO -0.61 0.59 -0.14 -0.07 -2.08 0.00 0.00 177.43 175.11 3gur h LEU 180 N 1.07 0.89 -0.74 6.14 4.07 -1.48 0.28 115.31 125.53 3gur h LEU 180 Ca 0.41 -0.30 -0.03 0.00 0.08 0.00 0.00 57.88 58.05 3gur h LEU 180 Cb 0.20 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.66 3gur h LEU 180 CO -0.18 1.03 0.36 0.11 -1.08 0.00 0.00 178.44 178.68 3gur h LYS 181 N 0.79 1.07 -0.03 1.13 1.57 -1.17 -2.46 116.57 117.48 3gur h LYS 181 Ca 0.12 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 3gur h LYS 181 Cb 0.67 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3gur h LYS 181 CO 0.05 0.83 -0.55 -0.44 -0.57 0.00 0.00 179.45 178.77 3gur h ASP 182 N 1.04 0.10 0.00 0.86 3.32 -0.70 -2.51 116.42 118.53 3gur h ASP 182 Ca 0.26 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 3gur h ASP 182 Cb 0.12 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3gur h ASP 182 CO -0.03 0.63 -0.00 0.15 -1.72 0.00 0.00 179.24 178.27 3gur h PHE 183 N 0.07 -0.01 -0.65 4.55 3.57 -0.73 0.12 116.94 123.87 3gur h PHE 183 Ca -0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 3gur h PHE 183 Cb 1.00 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.70 3gur h PHE 183 CO 0.01 0.06 0.41 0.82 -2.23 0.00 0.00 178.31 177.37 3gur h ILE 184 N -0.07 1.10 -0.39 1.41 2.04 -1.36 -1.33 117.51 118.91 3gur h ILE 184 Ca -0.00 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.60 3gur h ILE 184 Cb 0.07 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 3gur h ILE 184 CO 0.00 0.15 0.21 0.28 0.00 0.00 0.00 178.15 178.79 3gur h SER 185 N 0.81 0.33 0.67 1.72 0.02 -1.31 -1.75 113.55 114.04 3gur h SER 185 Ca 0.25 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.19 3gur h SER 185 Cb -0.01 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3gur h SER 185 CO -0.09 0.24 -0.45 -0.09 -1.14 0.00 0.00 176.83 175.30 3gur h ARG 186 N 0.43 -1.03 -0.47 3.45 2.43 -0.27 -1.73 114.38 117.21 3gur h ARG 186 Ca 0.16 0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.47 3gur h ARG 186 Cb 0.03 0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.75 3gur h ARG 186 CO -0.09 -0.68 0.09 0.35 -1.51 0.00 0.00 179.97 178.13 3gur h PHE 187 N -1.07 0.14 0.00 2.20 3.57 -1.25 -1.37 116.94 119.17 3gur h PHE 187 Ca -0.08 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 3gur h PHE 187 Cb 0.87 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 3gur h PHE 187 CO -0.14 -0.00 -0.01 0.93 -2.23 0.00 0.00 178.31 176.87 3gur h GLU 188 N 0.22 0.00 0.00 1.11 5.08 -1.25 -2.96 114.58 116.79 3gur h GLU 188 Ca 0.23 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 3gur h GLU 188 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3gur h GLU 188 CO -0.31 0.01 -0.62 0.78 -1.00 0.00 0.00 179.01 177.87 3gur h GLY 189 N 1.68 0.00 -3.62 -3.84 0.00 -0.30 -3.25 103.07 93.74 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 0.00 0.00 0.10 1.04 0.00 0.00 0.00 176.54 177.69 3gur n LEU 190 N -2.98 2.51 0.11 3.11 4.77 -1.08 -4.78 117.00 118.65 3gur n LEU 190 Ca 0.00 0.99 -0.16 0.00 -0.03 0.00 0.00 56.01 56.81 3gur n LEU 190 Cb 0.63 -1.34 -0.09 0.00 -2.33 0.00 0.00 43.42 40.30 3gur n LEU 190 CO 0.39 -1.67 0.53 -0.08 -1.33 0.00 0.00 177.39 175.23 3gur h GLU 191 N 1.33 -0.70 -0.07 3.23 4.81 -1.91 -2.22 114.58 119.06 3gur h GLU 191 Ca -0.45 0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 58.73 3gur h GLU 191 Cb 1.35 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.87 3gur h GLU 191 CO 0.55 -0.47 -0.42 0.87 -0.73 0.00 0.00 179.01 178.82 3gur h LYS 192 N -0.72 0.15 -0.07 1.92 6.56 -1.91 -1.39 116.57 121.11 3gur h LYS 192 Ca 0.00 -0.07 -0.02 0.00 -1.06 0.00 0.00 60.65 59.51 3gur h LYS 192 Cb 0.74 -0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.40 3gur h LYS 192 CO -0.29 0.55 -0.03 0.82 -2.06 0.00 0.00 179.45 178.44 3gur h ILE 193 N 0.13 1.32 -0.12 1.86 5.03 -1.84 0.19 117.51 124.08 3gur h ILE 193 Ca 0.01 -1.01 0.04 0.00 -0.12 0.00 0.00 64.86 63.78 3gur h ILE 193 Cb 0.80 1.85 -0.04 0.00 -3.03 0.00 0.00 36.82 36.41 3gur h ILE 193 CO 0.06 0.28 -0.12 -1.28 -0.68 0.00 0.00 178.15 176.41 3gur h SER 194 N -0.23 -0.37 -0.99 1.72 0.87 -1.29 0.50 113.55 113.76 3gur h SER 194 Ca 0.02 0.07 0.15 0.00 -1.23 0.00 0.00 61.79 60.80 3gur h SER 194 Cb 0.46 0.18 -0.09 0.00 -0.44 0.00 0.00 62.40 62.51 3gur h SER 194 CO 0.01 -0.16 0.62 0.00 -0.53 0.00 0.00 176.83 176.77 3gur h ALA 195 N 0.93 1.64 -0.13 6.23 0.00 -1.25 -2.20 119.26 124.48 3gur h ALA 195 Ca 0.08 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3gur h ALA 195 Cb 0.27 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3gur h ALA 195 CO -0.20 0.07 -0.15 -0.92 0.00 0.00 0.00 179.25 178.04 3gur h TYR 196 N 0.86 0.41 0.00 0.00 3.20 -0.03 -3.05 116.97 118.36 3gur h TYR 196 Ca 0.52 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 62.26 3gur h TYR 196 Cb 0.69 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.88 3gur h TYR 196 CO -0.00 0.76 0.00 -1.33 -1.64 0.00 0.00 178.16 175.94 3gur n MET 197 N -4.56 0.01 -0.01 1.82 2.81 0.17 -1.47 117.12 115.90 3gur n MET 197 Ca -0.06 0.38 0.10 0.00 -1.81 0.00 0.00 57.70 56.30 3gur n MET 197 Cb 0.37 -1.53 -0.14 0.00 -0.71 0.00 0.00 33.22 31.22 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 -1.55 0.62 -1.60 0.03 5.02 -0.87 -4.96 118.16 114.86 3gur n LYS 198 Ca 0.02 -0.12 -0.30 0.00 -2.02 0.00 0.00 58.31 55.89 3gur n LYS 198 Cb 0.09 -1.45 0.21 0.00 -0.02 0.00 0.00 35.03 33.87 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 -3.77 2.15 0.26 4.39 1.04 -0.54 -4.97 113.70 112.27 3gur s SER 199 Ca -0.02 0.38 0.14 0.00 0.48 0.00 0.00 55.95 56.92 3gur s SER 199 Cb 0.13 -0.47 0.16 0.00 0.10 0.00 0.00 66.02 65.94 3gur s SER 199 CO 0.81 -3.34 1.48 0.77 0.98 0.00 0.00 173.24 173.94 3gur h SER 200 N -2.05 0.00 1.00 7.02 4.64 -1.93 -3.31 113.55 118.92 3gur h SER 200 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3gur h SER 200 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3gur h SER 200 CO 0.35 0.59 0.00 0.03 -0.87 0.00 0.00 176.83 176.93 3gur h ARG 201 N 0.00 0.00 -6.20 4.77 3.08 -1.93 -3.45 114.38 110.65 3gur h ARG 201 Ca -0.01 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3gur h ARG 201 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.40 3gur h ARG 201 CO 0.08 0.00 1.32 0.12 -1.07 0.00 0.00 179.97 180.41 3gur s PHE 202 N -3.67 1.36 -0.89 3.04 5.36 -1.25 -4.95 117.98 116.97 3gur s PHE 202 Ca 0.01 0.08 -0.03 0.00 -0.96 0.00 0.00 56.93 56.03 3gur s PHE 202 Cb 0.09 -4.08 0.22 0.00 -0.34 0.00 0.00 43.02 38.91 3gur s PHE 202 CO 0.54 -4.60 0.79 -1.17 -1.46 0.00 0.00 175.22 169.32 3gur s LEU 203 N 6.05 5.63 0.24 6.12 0.20 -1.26 -4.90 118.68 130.76 3gur s LEU 203 Ca 0.90 -3.62 0.20 0.00 0.69 0.00 0.00 54.13 52.30 3gur s LEU 203 Cb -0.36 -1.94 0.05 0.00 -0.43 0.00 0.00 46.19 43.51 3gur s LEU 203 CO 0.37 -0.22 1.20 1.55 -0.29 0.00 0.00 176.35 178.97 3gur h PRO 204 N 6.19 0.00 -3.55 0.98 0.13 -1.95 -3.38 132.00 130.42 3gur h PRO 204 Ca 0.15 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.17 3gur h PRO 204 Cb 0.83 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.79 3gur h PRO 204 CO 0.86 0.18 -0.38 -0.98 -0.23 0.00 0.00 178.00 177.45 3gur s ARG 205 N -3.13 0.70 0.60 0.86 1.04 -1.26 -4.49 118.95 113.26 3gur s ARG 205 Ca 0.02 -0.63 -0.19 0.00 -1.04 0.00 0.00 55.73 53.89 3gur s ARG 205 Cb 0.08 0.29 -0.03 0.00 -2.04 0.00 0.00 34.95 33.25 3gur s ARG 205 CO 0.76 -0.20 1.25 -2.14 -0.04 0.00 0.00 175.30 174.92 3gur s PRO 206 N -2.58 2.90 -0.00 3.89 0.02 -1.25 -4.71 135.00 133.27 3gur s PRO 206 Ca -0.05 1.95 -0.25 0.00 0.02 0.00 0.00 61.00 62.66 3gur s PRO 206 Cb -0.01 -1.96 -0.19 0.00 0.02 0.00 0.00 34.50 32.35 3gur s PRO 206 CO -0.04 -1.29 1.35 0.28 -0.33 0.00 0.00 177.00 176.96 3gur h VAL 207 N 0.90 1.30 -5.33 3.83 2.07 -1.60 0.52 116.25 117.93 3gur h VAL 207 Ca -0.51 -0.93 -0.57 0.00 0.82 0.00 0.00 66.70 65.51 3gur h VAL 207 Cb 1.31 1.94 -0.08 0.00 -1.52 0.00 0.00 31.29 32.94 3gur h VAL 207 CO 0.55 0.24 -0.35 0.49 0.02 0.00 0.00 177.57 178.52 3gur n PHE 208 N -4.90 0.22 -1.55 1.57 3.72 0.22 -1.17 117.46 115.57 3gur n PHE 208 Ca -0.08 -2.21 -0.30 0.00 -0.05 0.00 0.00 57.45 54.80 3gur n PHE 208 Cb 0.21 -0.36 0.22 0.00 -0.94 0.00 0.00 39.48 38.61 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 -2.59 1.80 -0.77 4.37 -4.23 -1.26 -4.50 115.64 108.47 3gur s THR 209 Ca 0.14 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.85 3gur s THR 209 Cb -0.01 -2.77 0.19 0.00 1.34 0.00 0.00 72.50 71.25 3gur s THR 209 CO 0.09 0.00 1.62 0.29 -0.54 0.00 0.00 174.62 176.08 3gur n LYS 210 N -4.26 0.10 0.20 3.99 5.02 -1.26 -2.25 118.16 119.70 3gur n LYS 210 Ca 0.15 0.30 0.14 0.00 -2.02 0.00 0.00 58.31 56.88 3gur n LYS 210 Cb 0.59 -1.68 0.45 0.00 -0.02 0.00 0.00 35.03 34.38 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 -6.88 1.97 2.86 -1.94 -3.47 114.93 107.48 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 0.35 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.02 3gur h MET 211 CO 0.00 0.00 0.43 0.00 1.06 0.00 0.00 176.91 178.40 3gur s ALA 212 N -3.37 3.24 0.11 6.32 0.00 -0.95 -4.89 121.76 122.21 3gur s ALA 212 Ca 0.05 0.77 -0.13 0.00 0.00 0.00 0.00 51.96 52.65 3gur s ALA 212 Cb 0.08 -3.29 -0.13 0.00 0.00 0.00 0.00 23.12 19.79 3gur s ALA 212 CO 0.56 -0.14 1.34 0.28 0.00 0.00 0.00 175.76 177.80 3gur h VAL 213 N 2.65 1.28 -4.42 0.00 2.07 -1.06 -3.41 116.25 113.36 3gur h VAL 213 Ca -0.47 -1.86 -0.66 0.00 0.82 0.00 0.00 66.70 64.52 3gur h VAL 213 Cb 1.21 1.85 -0.28 0.00 -1.52 0.00 0.00 31.29 32.55 3gur h VAL 213 CO 0.65 0.60 -0.87 0.86 0.02 0.00 0.00 177.57 178.82 3gur s TRP 214 N -3.90 2.16 0.00 1.57 -0.00 -1.09 -4.76 118.94 112.92 3gur s TRP 214 Ca -0.11 -0.40 0.00 0.00 -0.00 0.00 0.00 56.10 55.59 3gur s TRP 214 Cb 0.09 -1.35 0.00 0.00 -0.00 0.00 0.00 33.47 32.21 3gur s TRP 214 CO 0.90 0.03 0.00 0.41 -0.00 0.00 0.00 176.95 178.28 3gur n GLY 215 N 2.19 0.56 0.15 5.86 0.00 -1.26 -4.74 105.19 107.95 3gur n GLY 215 Ca -0.16 -0.39 0.15 0.00 0.00 0.00 0.00 46.02 45.61 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 0.72 0.52 0.00 1.61 6.94 -1.26 -0.61 115.26 123.18 3gur n ASN 216 Ca 0.00 -0.91 0.00 0.00 -0.02 0.00 0.00 54.58 53.65 3gur n ASN 216 Cb 0.00 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.38 3gur n ASN 216 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52