#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gdg n PRO 2 N 0.00 0.53 0.00 3.17 -0.02 -1.26 -4.67 135.00 132.75 3gdg n PRO 2 Ca 0.00 -0.61 0.00 0.00 -2.02 0.00 0.00 63.50 60.87 3gdg n PRO 2 Cb 0.00 -3.25 0.00 0.00 -0.02 0.00 0.00 33.50 30.23 3gdg n PRO 2 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gdg n GLY 3 N 6.53 2.51 3.33 -1.23 0.00 -1.26 -4.53 105.19 110.53 3gdg n GLY 3 Ca 0.49 0.31 -0.32 0.00 0.00 0.00 0.00 46.02 46.51 3gdg n GLY 3 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gdg s GLN 4 N 0.00 2.52 0.14 1.61 -0.21 -1.24 -4.47 119.66 118.01 3gdg s GLN 4 Ca 0.00 -0.85 -0.08 0.00 0.02 0.00 0.00 55.36 54.45 3gdg s GLN 4 Cb 0.00 -2.22 -0.06 0.00 1.00 0.00 0.00 33.01 31.73 3gdg s GLN 4 CO 0.00 0.45 0.43 -1.14 -2.12 0.00 0.00 175.29 172.91 3gdg s GLN 5 N -0.32 3.73 0.72 2.91 0.74 -1.26 -5.06 119.66 121.12 3gdg s GLN 5 Ca 0.01 0.13 -0.13 0.00 0.05 0.00 0.00 55.36 55.42 3gdg s GLN 5 Cb -0.13 -2.87 0.03 0.00 1.10 0.00 0.00 33.01 31.15 3gdg s GLN 5 CO 0.02 0.47 1.12 0.00 -0.55 0.00 0.00 175.29 176.35 3gdg s ALA 6 N -1.58 2.30 0.39 1.58 0.00 -1.26 -4.96 121.76 118.22 3gdg s ALA 6 Ca 0.39 0.49 -0.27 0.00 0.00 0.00 0.00 51.96 52.57 3gdg s ALA 6 Cb -0.13 -3.33 -0.11 0.00 0.00 0.00 0.00 23.12 19.56 3gdg s ALA 6 CO 0.21 -1.60 1.35 -2.37 0.00 0.00 0.00 175.76 173.35 3gdg n THR 7 N -2.94 2.26 0.84 0.00 5.66 -1.26 -4.88 114.28 113.94 3gdg n THR 7 Ca 0.10 -0.50 0.13 0.00 -3.05 0.00 0.00 64.05 60.73 3gdg n THR 7 Cb 0.52 -1.71 0.40 0.00 -1.55 0.00 0.00 70.33 67.99 3gdg n THR 7 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 3gdg n LYS 8 N 0.29 0.11 -3.38 1.09 2.85 -1.26 -4.85 118.16 113.01 3gdg n LYS 8 Ca 0.04 0.06 -0.38 0.00 -1.05 0.00 0.00 58.31 56.98 3gdg n LYS 8 Cb 0.38 -1.60 -0.06 0.00 -0.65 0.00 0.00 35.03 33.10 3gdg n LYS 8 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 3gdg s HIS 9 N -3.05 3.73 -0.12 5.58 3.76 -1.26 -4.96 115.29 118.97 3gdg s HIS 9 Ca 0.11 1.10 0.16 0.00 -0.15 0.00 0.00 55.06 56.28 3gdg s HIS 9 Cb 0.16 -2.41 -0.22 0.00 1.11 0.00 0.00 32.58 31.22 3gdg s HIS 9 CO 0.62 0.56 0.49 0.39 -0.85 0.00 0.00 174.74 175.95 3gdg n GLU 10 N 2.03 0.65 -2.53 1.40 -0.58 -1.26 -4.87 120.64 115.48 3gdg n GLU 10 Ca -0.11 0.14 -0.42 0.00 -0.42 0.00 0.00 57.16 56.34 3gdg n GLU 10 Cb 0.52 -1.68 -0.03 0.00 -0.57 0.00 0.00 31.44 29.68 3gdg n GLU 10 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3gdg s SER 11 N -5.68 7.12 0.10 1.62 0.15 -1.26 -4.93 113.70 110.81 3gdg s SER 11 Ca -0.06 1.76 -0.24 0.00 0.70 0.00 0.00 55.95 58.10 3gdg s SER 11 Cb 0.08 -2.56 -0.12 0.00 -1.71 0.00 0.00 66.02 61.71 3gdg s SER 11 CO 0.83 -0.52 1.70 0.25 1.20 0.00 0.00 173.24 176.71 3gdg h LEU 12 N 7.91 -0.24 -0.44 3.45 6.46 -1.99 0.00 115.31 130.47 3gdg h LEU 12 Ca -0.35 0.03 0.09 0.00 -0.12 0.00 0.00 57.88 57.53 3gdg h LEU 12 Cb 1.17 0.09 -0.09 0.00 -0.73 0.00 0.00 40.66 41.10 3gdg h LEU 12 CO 0.86 -0.14 -0.16 -0.07 -0.62 0.00 0.00 178.44 178.31 3gdg h LEU 13 N -0.19 -0.56 -1.95 2.25 3.38 -1.99 0.35 115.31 116.60 3gdg h LEU 13 Ca 0.01 0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.16 3gdg h LEU 13 Cb 0.19 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3gdg h LEU 13 CO -0.04 -0.19 0.09 0.44 0.09 0.00 0.00 178.44 178.83 3gdg h ASP 14 N -0.06 0.06 0.38 -0.43 3.45 -1.82 -0.80 116.42 117.19 3gdg h ASP 14 Ca 0.21 -0.00 -0.21 0.00 0.43 0.00 0.00 57.03 57.46 3gdg h ASP 14 Cb 0.39 -0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 39.15 3gdg h ASP 14 CO -0.49 0.04 -0.90 1.56 -1.57 0.00 0.00 179.24 177.88 3gdg h GLN 15 N 0.06 0.36 0.00 3.56 4.20 0.15 -3.27 115.11 120.17 3gdg h GLN 15 Ca 0.06 -0.38 -0.12 0.00 0.06 0.00 0.00 58.65 58.27 3gdg h GLN 15 Cb 0.16 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3gdg h GLN 15 CO -0.01 1.05 -0.58 -0.07 -0.67 0.00 0.00 178.83 178.56 3gdg h LEU 16 N 0.21 0.00 -9.90 1.46 3.38 0.39 -1.19 115.31 109.67 3gdg h LEU 16 Ca -0.07 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.36 3gdg h LEU 16 Cb 1.53 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.39 3gdg h LEU 16 CO 0.15 0.58 0.70 -1.54 0.09 0.00 0.00 178.44 178.42 3gdg n SER 17 N -3.49 3.47 -0.57 -0.43 3.41 -0.40 -4.85 113.62 110.76 3gdg n SER 17 Ca 0.00 1.21 0.06 0.00 -0.26 0.00 0.00 58.87 59.88 3gdg n SER 17 Cb 0.67 -1.58 0.18 0.00 -0.26 0.00 0.00 64.21 63.22 3gdg n SER 17 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gdg n LEU 18 N 0.45 2.51 -4.74 1.04 4.77 0.81 -4.77 117.00 117.06 3gdg n LEU 18 Ca 0.03 -3.62 -0.41 0.00 -0.03 0.00 0.00 56.01 51.98 3gdg n LEU 18 Cb 0.38 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.97 3gdg n LEU 18 CO 0.63 1.22 0.86 -0.54 -1.33 0.00 0.00 177.39 178.23 3gdg s LYS 19 N -2.94 4.53 0.00 3.23 1.02 -1.16 -2.13 119.74 122.29 3gdg s LYS 19 Ca 0.36 1.85 0.00 0.00 0.02 0.00 0.00 55.97 58.20 3gdg s LYS 19 Cb 0.35 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 3gdg s LYS 19 CO -0.06 -0.02 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 3gdg n GLY 20 N 1.97 0.74 3.48 -3.33 0.00 -1.26 -5.02 105.19 101.77 3gdg n GLY 20 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 3gdg n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gdg s LYS 21 N -0.22 1.70 -0.02 1.61 1.02 -0.91 -5.07 119.74 117.84 3gdg s LYS 21 Ca 0.00 -1.81 0.04 0.00 0.02 0.00 0.00 55.97 54.22 3gdg s LYS 21 Cb 0.00 -1.69 -0.01 0.00 -0.52 0.00 0.00 37.83 35.62 3gdg s LYS 21 CO 0.00 0.25 -0.14 0.08 -0.92 0.00 0.00 175.35 174.62 3gdg s VAL 22 N -2.59 1.17 0.02 3.17 1.01 -1.26 -1.79 120.40 120.13 3gdg s VAL 22 Ca 0.30 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.71 3gdg s VAL 22 Cb -0.02 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 3gdg s VAL 22 CO 0.15 0.34 -0.09 0.54 0.00 0.00 0.00 175.10 176.04 3gdg s VAL 23 N -0.10 0.71 -0.04 2.92 0.11 -0.55 -0.54 120.40 122.91 3gdg s VAL 23 Ca 0.01 -0.65 0.07 0.00 -2.93 0.00 0.00 61.98 58.47 3gdg s VAL 23 Cb -0.08 -0.65 -0.01 0.00 -1.53 0.00 0.00 36.38 34.10 3gdg s VAL 23 CO 0.01 0.01 -0.24 0.54 -3.33 0.00 0.00 175.10 172.08 3gdg s VAL 24 N -0.60 1.96 -0.14 2.04 0.11 -0.86 -0.95 120.40 121.95 3gdg s VAL 24 Ca -0.00 -1.03 0.02 0.00 -2.93 0.00 0.00 61.98 58.03 3gdg s VAL 24 Cb -0.06 -1.64 0.01 0.00 -1.53 0.00 0.00 36.38 33.16 3gdg s VAL 24 CO 0.00 0.55 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.43 3gdg s VAL 25 N -0.33 2.26 0.07 2.04 1.01 -0.46 -0.95 120.40 124.04 3gdg s VAL 25 Ca 0.02 -0.91 -0.35 0.00 0.00 0.00 0.00 61.98 60.73 3gdg s VAL 25 Cb -0.12 -1.92 -0.20 0.00 0.00 0.00 0.00 36.38 34.15 3gdg s VAL 25 CO 0.02 0.54 1.60 0.71 0.00 0.00 0.00 175.10 177.96 3gdg h THR 26 N 5.76 0.17 -2.64 3.92 1.35 -1.57 -1.24 112.91 118.66 3gdg h THR 26 Ca -0.31 0.00 -0.62 0.00 -0.55 0.00 0.00 66.41 64.93 3gdg h THR 26 Cb 1.20 0.17 -0.41 0.00 -1.73 0.00 0.00 68.15 67.38 3gdg h THR 26 CO 0.55 0.00 -0.51 0.61 -0.25 0.00 0.00 175.52 175.93 3gdg n GLY 27 N -1.58 4.48 2.78 5.82 0.00 -1.26 -2.83 105.19 112.60 3gdg n GLY 27 Ca -0.15 -2.69 -0.34 0.00 0.00 0.00 0.00 46.02 42.84 3gdg n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gdg n ALA 28 N 1.39 5.18 0.63 4.61 0.00 -1.10 -4.20 120.51 127.02 3gdg n ALA 28 Ca 0.25 -4.69 0.07 0.00 0.00 0.00 0.00 53.44 49.07 3gdg n ALA 28 Cb 0.38 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.42 3gdg n ALA 28 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gdg n SER 29 N 0.06 1.64 -4.97 0.00 3.41 -1.26 -4.60 113.62 107.89 3gdg n SER 29 Ca 0.36 -1.32 -0.21 0.00 -0.26 0.00 0.00 58.87 57.44 3gdg n SER 29 Cb 0.34 0.38 0.02 0.00 -0.26 0.00 0.00 64.21 64.69 3gdg n SER 29 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3gdg s GLY 30 N -1.63 1.99 0.05 5.00 0.00 -1.26 -4.07 107.32 107.40 3gdg s GLY 30 Ca 0.13 -1.81 0.07 0.00 0.00 0.00 0.00 44.72 43.11 3gdg s GLY 30 CO 0.32 -1.74 1.03 -2.55 0.00 0.00 0.00 173.10 170.16 3gdg h PRO 31 N 0.50 0.04 -0.43 2.90 0.11 -1.92 -3.40 132.00 129.79 3gdg h PRO 31 Ca -0.34 -0.07 -0.24 0.00 0.11 0.00 0.00 66.00 65.46 3gdg h PRO 31 Cb 1.29 0.03 -0.40 0.00 0.11 0.00 0.00 31.00 32.02 3gdg h PRO 31 CO 0.48 0.86 -1.12 1.63 -0.21 0.00 0.00 178.00 179.64 3gdg n LYS 32 N -3.27 1.73 -2.45 1.05 5.02 -1.25 -4.95 118.16 114.04 3gdg n LYS 32 Ca -0.08 -3.50 -0.23 0.00 -2.02 0.00 0.00 58.31 52.47 3gdg n LYS 32 Cb 0.99 -1.60 0.06 0.00 -0.02 0.00 0.00 35.03 34.46 3gdg n LYS 32 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3gdg s GLY 33 N -3.80 1.77 0.09 0.72 0.00 -1.25 -4.16 107.32 100.68 3gdg s GLY 33 Ca 0.27 -1.24 -0.22 0.00 0.00 0.00 0.00 44.72 43.53 3gdg s GLY 33 CO -0.04 -0.85 1.70 -0.33 0.00 0.00 0.00 173.10 173.57 3gdg h MET 34 N -0.32 0.12 -0.84 2.90 2.86 -1.91 -2.85 114.93 114.89 3gdg h MET 34 Ca -0.42 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.17 3gdg h MET 34 Cb 1.30 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.89 3gdg h MET 34 CO 0.53 0.14 0.39 0.78 1.06 0.00 0.00 176.91 179.81 3gdg h GLY 35 N 0.07 1.30 1.92 8.32 0.00 -1.95 -1.46 103.07 111.26 3gdg h GLY 35 Ca 0.03 -0.66 -0.11 0.00 0.00 0.00 0.00 47.33 46.59 3gdg h GLY 35 CO -0.01 0.62 -0.50 1.19 0.00 0.00 0.00 176.54 177.84 3gdg h ILE 36 N 1.20 1.36 0.00 2.60 2.10 -1.77 0.63 117.51 123.63 3gdg h ILE 36 Ca 0.29 -1.74 -0.13 0.00 1.08 0.00 0.00 64.86 64.35 3gdg h ILE 36 Cb 0.13 1.90 -0.02 0.00 -1.09 0.00 0.00 36.82 37.75 3gdg h ILE 36 CO -0.03 0.50 -0.63 -0.33 -1.08 0.00 0.00 178.15 176.58 3gdg h GLU 37 N 0.07 0.00 -0.27 2.19 4.39 -1.25 0.74 114.58 120.46 3gdg h GLU 37 Ca -0.00 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.52 3gdg h GLU 37 Cb 0.92 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.57 3gdg h GLU 37 CO 0.07 0.63 -0.56 0.00 -1.16 0.00 0.00 179.01 177.99 3gdg h ALA 38 N 1.37 0.50 -0.21 3.43 0.00 -0.40 -2.40 119.26 121.55 3gdg h ALA 38 Ca -0.01 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 3gdg h ALA 38 Cb 1.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3gdg h ALA 38 CO 0.08 0.68 -0.24 0.00 0.00 0.00 0.00 179.25 179.77 3gdg h ALA 39 N 0.73 1.19 0.55 0.00 0.00 -0.60 -2.45 119.26 118.68 3gdg h ALA 39 Ca 0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3gdg h ALA 39 Cb 1.16 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.84 3gdg h ALA 39 CO 0.12 0.52 -0.26 0.00 0.00 0.00 0.00 179.25 179.63 3gdg h ARG 40 N 0.35 -0.71 -0.94 0.00 3.08 -0.71 -1.93 114.38 113.53 3gdg h ARG 40 Ca 0.05 0.05 0.26 0.00 0.07 0.00 0.00 59.98 60.41 3gdg h ARG 40 Cb 0.62 0.16 -0.17 0.00 0.08 0.00 0.00 29.97 30.66 3gdg h ARG 40 CO 0.04 -0.47 0.07 0.78 -1.07 0.00 0.00 179.97 179.33 3gdg h GLY 41 N -1.19 1.24 0.78 0.04 0.00 -1.43 0.46 103.07 102.96 3gdg h GLY 41 Ca -0.07 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 3gdg h GLY 41 CO 0.12 -0.47 0.00 0.00 0.00 0.00 0.00 176.54 176.19 3gdg h ALA 43 N 0.76 -0.60 -1.24 0.00 0.00 0.58 0.26 119.26 119.02 3gdg h ALA 43 Ca 0.04 0.00 0.36 0.00 0.00 0.00 0.00 54.91 55.31 3gdg h ALA 43 Cb 0.37 0.85 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 3gdg h ALA 43 CO 0.01 -0.94 0.83 1.49 0.00 0.00 0.00 179.25 180.64 3gdg h GLU 44 N -0.46 0.16 0.00 0.00 4.81 -0.56 2.26 114.58 120.79 3gdg h GLU 44 Ca 0.09 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3gdg h GLU 44 Cb 0.62 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.97 3gdg h GLU 44 CO -0.45 0.11 0.00 -1.33 -0.73 0.00 0.00 179.01 176.61 3gdg n MET 45 N -4.48 0.79 -0.42 1.92 2.81 0.90 -4.86 117.12 113.78 3gdg n MET 45 Ca 0.31 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.20 3gdg n MET 45 Cb 1.23 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 32.24 3gdg n MET 45 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gdg n GLY 46 N 0.95 1.32 3.93 3.03 0.00 0.76 -0.13 105.19 115.05 3gdg n GLY 46 Ca 0.20 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 3gdg n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gdg s ALA 47 N -2.00 3.75 -0.39 4.61 0.00 -1.08 -3.00 121.76 123.65 3gdg s ALA 47 Ca 0.00 -0.80 -0.18 0.00 0.00 0.00 0.00 51.96 50.98 3gdg s ALA 47 Cb 0.00 -2.08 0.01 0.00 0.00 0.00 0.00 23.12 21.04 3gdg s ALA 47 CO 0.00 0.27 0.52 0.00 0.00 0.00 0.00 175.76 176.55 3gdg s ALA 48 N -2.03 3.43 0.15 0.00 0.00 -0.74 -4.47 121.76 118.10 3gdg s ALA 48 Ca 0.40 -1.20 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 3gdg s ALA 48 Cb -0.10 -3.09 -0.06 0.00 0.00 0.00 0.00 23.12 19.87 3gdg s ALA 48 CO 0.31 -1.45 0.40 0.08 0.00 0.00 0.00 175.76 175.10 3gdg s VAL 49 N 2.42 5.14 -0.28 0.00 1.01 -0.88 -1.49 120.40 126.32 3gdg s VAL 49 Ca 0.18 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 3gdg s VAL 49 Cb -0.16 -3.62 0.09 0.00 0.00 0.00 0.00 36.38 32.69 3gdg s VAL 49 CO 0.15 0.04 0.10 0.00 0.00 0.00 0.00 175.10 175.38 3gdg s ALA 50 N -1.66 1.18 0.29 5.51 0.00 -0.13 -2.74 121.76 124.22 3gdg s ALA 50 Ca 0.41 -1.33 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 3gdg s ALA 50 Cb -0.12 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 3gdg s ALA 50 CO 0.24 -1.57 0.51 0.96 0.00 0.00 0.00 175.76 175.89 3gdg s ILE 51 N 1.80 5.11 0.31 0.00 -4.36 -1.15 -1.35 121.20 121.55 3gdg s ILE 51 Ca 0.08 -0.32 0.07 0.00 -0.26 0.00 0.00 60.65 60.22 3gdg s ILE 51 Cb -0.17 -3.80 -0.06 0.00 1.25 0.00 0.00 42.46 39.68 3gdg s ILE 51 CO -0.25 -0.40 -0.05 0.42 0.24 0.00 0.00 174.94 174.89 3gdg s THR 52 N -2.14 1.80 -0.03 8.37 -4.23 -0.47 -1.08 115.64 117.86 3gdg s THR 52 Ca 0.40 -2.13 -0.09 0.00 -1.18 0.00 0.00 61.69 58.69 3gdg s THR 52 Cb -0.10 -2.57 0.01 0.00 1.34 0.00 0.00 72.50 71.18 3gdg s THR 52 CO 0.33 -0.23 0.21 -0.72 -0.54 0.00 0.00 174.62 173.67 3gdg s TYR 53 N -2.90 -0.10 0.05 3.99 -0.85 -0.19 -2.71 117.35 114.63 3gdg s TYR 53 Ca 0.31 0.20 -0.16 0.00 -0.52 0.00 0.00 57.07 56.90 3gdg s TYR 53 Cb 0.04 0.03 -0.26 0.00 0.38 0.00 0.00 41.96 42.15 3gdg s TYR 53 CO 0.14 -0.26 1.13 0.00 -1.52 0.00 0.00 175.55 175.03 3gdg h ALA 54 N 4.63 0.06 0.00 9.51 0.00 -1.89 -1.05 119.26 130.52 3gdg h ALA 54 Ca -0.29 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.92 3gdg h ALA 54 Cb 1.19 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3gdg h ALA 54 CO 0.39 0.62 0.00 -1.13 0.00 0.00 0.00 179.25 179.13 3gdg n SER 55 N -3.90 0.00 -3.38 0.00 3.41 -1.26 -4.64 113.62 103.85 3gdg n SER 55 Ca -0.12 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.18 3gdg n SER 55 Cb 0.89 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.79 3gdg n SER 55 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gdg n ARG 56 N -0.37 1.16 -0.12 4.33 5.12 -1.26 -4.63 116.66 120.90 3gdg n ARG 56 Ca 0.00 -1.38 -0.09 0.00 -1.93 0.00 0.00 57.85 54.46 3gdg n ARG 56 Cb 0.00 -2.57 -0.01 0.00 -1.16 0.00 0.00 32.46 28.72 3gdg n ARG 56 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gdg h ALA 57 N 7.85 0.47 -0.64 7.54 0.00 -1.94 -0.83 119.26 131.70 3gdg h ALA 57 Ca 0.35 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3gdg h ALA 57 Cb 0.43 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3gdg h ALA 57 CO 1.69 -0.01 0.37 -0.56 0.00 0.00 0.00 179.25 180.74 3gdg h GLN 58 N 0.46 0.87 -0.15 0.00 -0.00 -1.97 -0.50 115.11 113.81 3gdg h GLN 58 Ca 0.13 -0.08 -0.15 0.00 -0.00 0.00 0.00 58.65 58.55 3gdg h GLN 58 Cb 0.05 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.48 27.34 3gdg h GLN 58 CO -0.02 0.62 -0.55 0.78 -0.00 0.00 0.00 178.83 179.66 3gdg h GLY 59 N 0.92 0.49 2.00 0.06 0.00 -1.68 -2.54 103.07 102.32 3gdg h GLY 59 Ca 0.23 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3gdg h GLY 59 CO -0.04 0.51 0.00 0.00 0.00 0.00 0.00 176.54 177.01 3gdg h ALA 60 N 1.06 1.00 0.08 3.60 0.00 -0.44 -3.09 119.26 121.48 3gdg h ALA 60 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.65 3gdg h ALA 60 Cb 1.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3gdg h ALA 60 CO 0.10 0.00 -1.32 0.93 0.00 0.00 0.00 179.25 178.96 3gdg h GLU 61 N 0.00 0.18 -0.16 0.00 4.39 -0.83 -2.51 114.58 115.64 3gdg h GLU 61 Ca 0.00 -0.31 -0.15 0.00 0.34 0.00 0.00 59.36 59.24 3gdg h GLU 61 Cb 0.70 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 3gdg h GLU 61 CO 0.00 1.08 -0.54 0.93 -1.16 0.00 0.00 179.01 179.32 3gdg h GLU 62 N 0.05 0.48 -0.11 2.33 4.39 -1.40 -2.07 114.58 118.26 3gdg h GLU 62 Ca -0.15 -0.30 -0.02 0.00 0.34 0.00 0.00 59.36 59.22 3gdg h GLU 62 Cb 1.94 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 30.62 3gdg h GLU 62 CO 0.16 0.90 -0.03 -0.91 -1.16 0.00 0.00 179.01 177.98 3gdg h ASN 63 N 0.37 0.21 -0.87 1.42 -0.26 -1.59 -1.35 115.58 113.51 3gdg h ASN 63 Ca 0.01 -0.37 0.06 0.00 -0.56 0.00 0.00 56.30 55.44 3gdg h ASN 63 Cb 1.07 -0.06 -0.06 0.00 -1.06 0.00 0.00 38.32 38.21 3gdg h ASN 63 CO 0.10 0.53 0.55 0.58 -1.06 0.00 0.00 177.43 178.13 3gdg h VAL 64 N -0.11 1.05 0.24 2.81 2.07 -1.42 0.64 116.25 121.53 3gdg h VAL 64 Ca 0.03 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3gdg h VAL 64 Cb 0.44 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3gdg h VAL 64 CO 0.01 0.18 -0.27 0.50 0.02 0.00 0.00 177.57 178.02 3gdg h LYS 65 N 1.00 -0.53 0.10 1.57 1.63 -1.17 -0.97 116.57 118.20 3gdg h LYS 65 Ca 0.38 0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.21 3gdg h LYS 65 Cb 0.17 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 3gdg h LYS 65 CO -0.17 -0.35 -0.05 1.49 -3.45 0.00 0.00 179.45 176.92 3gdg h GLU 66 N -0.55 -0.13 -0.73 1.90 4.57 -0.48 -1.34 114.58 117.81 3gdg h GLU 66 Ca -0.00 0.01 0.20 0.00 -1.18 0.00 0.00 59.36 58.39 3gdg h GLU 66 Cb 0.52 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.10 3gdg h GLU 66 CO -0.07 -0.02 0.52 -0.07 -1.18 0.00 0.00 179.01 178.19 3gdg h LEU 67 N -0.22 0.08 0.00 1.64 3.38 0.46 0.15 115.31 120.80 3gdg h LEU 67 Ca -0.01 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 3gdg h LEU 67 Cb 0.17 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3gdg h LEU 67 CO 0.02 0.04 -1.06 -0.33 0.09 0.00 0.00 178.44 177.19 3gdg h GLU 68 N 0.08 0.00 0.13 1.13 5.08 -0.78 -3.20 114.58 117.03 3gdg h GLU 68 Ca 0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.71 3gdg h GLU 68 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3gdg h GLU 68 CO -0.03 0.57 -0.06 0.87 -1.00 0.00 0.00 179.01 179.36 3gdg h LYS 69 N 0.00 -0.17 -0.52 2.33 1.57 0.43 -2.04 116.57 118.17 3gdg h LYS 69 Ca -0.09 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 3gdg h LYS 69 Cb 1.64 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.96 3gdg h LYS 69 CO 0.08 -0.11 0.11 1.79 -0.57 0.00 0.00 179.45 180.75 3gdg h THR 70 N -0.32 1.22 -0.01 -0.16 1.35 -1.64 -3.19 112.91 110.17 3gdg h THR 70 Ca -0.02 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 3gdg h THR 70 Cb 0.13 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 67.26 3gdg h THR 70 CO 0.03 0.30 -0.45 -1.22 -0.25 0.00 0.00 175.52 173.93 3gdg n TYR 71 N -4.27 0.00 -4.26 4.73 4.01 -1.21 -4.98 117.16 111.19 3gdg n TYR 71 Ca 0.04 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.42 3gdg n TYR 71 Cb 0.23 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.22 3gdg n TYR 71 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gdg n GLY 72 N 1.29 -0.39 3.58 2.72 0.00 -0.77 -4.94 105.19 106.69 3gdg n GLY 72 Ca 0.07 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 3gdg n GLY 72 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gdg s ILE 73 N -3.43 2.94 -0.08 -0.61 -5.25 -1.26 -5.06 121.20 108.45 3gdg s ILE 73 Ca 0.63 -2.09 -0.30 0.00 -0.99 0.00 0.00 60.65 57.90 3gdg s ILE 73 Cb -0.35 -2.65 -0.03 0.00 2.95 0.00 0.00 42.46 42.38 3gdg s ILE 73 CO 0.95 -0.34 1.21 -0.75 -1.79 0.00 0.00 174.94 174.21 3gdg s LYS 74 N -3.63 4.33 -0.05 0.37 2.20 -1.26 -4.39 119.74 117.31 3gdg s LYS 74 Ca 0.32 1.66 -0.04 0.00 -0.36 0.00 0.00 55.97 57.56 3gdg s LYS 74 Cb -0.04 -3.60 0.02 0.00 -1.51 0.00 0.00 37.83 32.69 3gdg s LYS 74 CO 0.18 -0.50 0.11 0.00 -0.36 0.00 0.00 175.35 174.79 3gdg s ALA 75 N 2.47 -0.26 -0.03 3.13 0.00 -1.26 -2.07 121.76 123.74 3gdg s ALA 75 Ca 0.55 0.38 -0.02 0.00 0.00 0.00 0.00 51.96 52.87 3gdg s ALA 75 Cb -0.24 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.66 3gdg s ALA 75 CO 0.20 -0.07 0.08 0.21 0.00 0.00 0.00 175.76 176.18 3gdg s LYS 76 N 0.29 0.08 0.14 0.00 2.20 -1.11 -4.99 119.74 116.36 3gdg s LYS 76 Ca -0.02 0.13 -0.06 0.00 -0.36 0.00 0.00 55.97 55.66 3gdg s LYS 76 Cb -0.03 -0.00 -0.06 0.00 -1.51 0.00 0.00 37.83 36.23 3gdg s LYS 76 CO -0.01 -0.04 0.40 0.00 -0.36 0.00 0.00 175.35 175.34 3gdg s ALA 77 N 0.23 3.76 0.04 3.13 0.00 -1.26 -2.96 121.76 124.69 3gdg s ALA 77 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.45 3gdg s ALA 77 Cb -0.03 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 3gdg s ALA 77 CO -0.01 0.64 -0.04 0.71 0.00 0.00 0.00 175.76 177.06 3gdg s TYR 78 N -1.63 0.46 -0.15 0.00 1.51 -0.24 -4.97 117.35 112.32 3gdg s TYR 78 Ca 0.40 -0.69 -0.14 0.00 -1.01 0.00 0.00 57.07 55.63 3gdg s TYR 78 Cb -0.12 -0.31 -0.05 0.00 -0.11 0.00 0.00 41.96 41.37 3gdg s TYR 78 CO 0.23 -0.21 0.32 0.21 -1.11 0.00 0.00 175.55 174.99 3gdg s LYS 79 N -2.30 4.24 -0.22 -0.62 2.20 -1.26 -1.02 119.74 120.77 3gdg s LYS 79 Ca -0.07 0.15 -0.11 0.00 -0.36 0.00 0.00 55.97 55.59 3gdg s LYS 79 Cb -0.04 -3.42 0.08 0.00 -1.51 0.00 0.00 37.83 32.94 3gdg s LYS 79 CO -0.03 0.25 0.51 0.00 -0.36 0.00 0.00 175.35 175.72 3gdg s GLN 81 N 1.78 2.42 0.50 0.00 -0.21 -1.26 -3.84 119.66 119.05 3gdg s GLN 81 Ca -0.08 -1.50 0.27 0.00 0.02 0.00 0.00 55.36 54.06 3gdg s GLN 81 Cb -0.08 -3.61 1.35 0.00 1.00 0.00 0.00 33.01 31.67 3gdg s GLN 81 CO -0.15 -0.91 1.89 -0.39 -2.12 0.00 0.00 175.29 173.61 3gdg h VAL 82 N 6.22 0.61 0.00 1.09 -1.51 -1.93 -1.03 116.25 119.70 3gdg h VAL 82 Ca -0.20 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 3gdg h VAL 82 Cb 1.07 0.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 3gdg h VAL 82 CO 0.70 0.02 0.00 -0.90 -1.23 0.00 0.00 177.57 176.16 3gdg n ASP 83 N -4.36 0.00 -4.37 4.19 5.75 -1.26 -4.39 116.55 112.11 3gdg n ASP 83 Ca 0.18 -0.25 -0.36 0.00 -0.01 0.00 0.00 54.79 54.36 3gdg n ASP 83 Cb 0.84 -0.06 -0.13 0.00 -1.03 0.00 0.00 41.12 40.73 3gdg n ASP 83 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3gdg s SER 84 N -2.13 4.66 0.17 -1.12 0.15 -0.39 -4.92 113.70 110.12 3gdg s SER 84 Ca 0.16 -0.31 -0.08 0.00 0.70 0.00 0.00 55.95 56.42 3gdg s SER 84 Cb 0.08 -1.82 0.04 0.00 -1.71 0.00 0.00 66.02 62.61 3gdg s SER 84 CO 0.14 -0.02 1.51 0.22 1.20 0.00 0.00 173.24 176.29 3gdg h TYR 85 N 8.11 0.97 -0.92 3.44 3.20 -1.86 -2.81 116.97 127.11 3gdg h TYR 85 Ca -0.40 -0.30 0.11 0.00 3.14 0.00 0.00 58.73 61.29 3gdg h TYR 85 Cb 1.17 -0.20 -0.08 0.00 1.54 0.00 0.00 36.73 39.15 3gdg h TYR 85 CO 0.62 1.08 0.55 0.93 -1.64 0.00 0.00 178.16 179.70 3gdg h GLU 86 N 0.66 0.85 0.00 1.82 4.39 -1.94 0.83 114.58 121.19 3gdg h GLU 86 Ca 0.05 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 3gdg h GLU 86 Cb 0.98 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 3gdg h GLU 86 CO 0.09 0.56 -0.02 1.03 -1.16 0.00 0.00 179.01 179.51 3gdg h SER 87 N 0.87 0.00 0.37 1.42 0.87 -1.79 -1.22 113.55 114.07 3gdg h SER 87 Ca 0.46 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.70 3gdg h SER 87 Cb 0.47 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 3gdg h SER 87 CO -0.27 0.02 -1.83 0.00 -0.53 0.00 0.00 176.83 174.22 3gdg h GLU 89 N 0.02 0.37 0.00 0.00 4.81 -0.66 -1.75 114.58 117.37 3gdg h GLU 89 Ca -0.34 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3gdg h GLU 89 Cb 2.03 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.36 3gdg h GLU 89 CO 0.08 0.44 0.00 -0.22 -0.73 0.00 0.00 179.01 178.58 3gdg h LYS 90 N 0.22 0.00 0.50 1.92 3.64 -1.36 -2.12 116.57 119.36 3gdg h LYS 90 Ca 0.08 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3gdg h LYS 90 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3gdg h LYS 90 CO -0.00 0.00 -0.24 1.25 -2.27 0.00 0.00 179.45 178.19 3gdg h LEU 91 N 0.00 -0.57 0.39 5.20 6.46 -1.13 -2.13 115.31 123.54 3gdg h LEU 91 Ca 0.00 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 3gdg h LEU 91 Cb 0.51 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.56 3gdg h LEU 91 CO 0.00 -0.18 -0.38 0.58 -0.62 0.00 0.00 178.44 177.84 3gdg h VAL 92 N -1.07 0.22 -0.62 1.05 2.07 -1.33 -0.97 116.25 115.62 3gdg h VAL 92 Ca -0.07 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.53 3gdg h VAL 92 Cb 0.59 0.22 -0.11 0.00 -1.52 0.00 0.00 31.29 30.48 3gdg h VAL 92 CO 0.11 0.00 -0.48 0.50 0.02 0.00 0.00 177.57 177.72 3gdg h LYS 93 N -0.79 -0.22 0.39 1.57 3.64 -1.48 0.24 116.57 119.92 3gdg h LYS 93 Ca -0.03 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3gdg h LYS 93 Cb 0.71 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 3gdg h LYS 93 CO -0.06 -0.15 -0.52 -0.44 -2.27 0.00 0.00 179.45 176.02 3gdg h ASP 94 N -0.23 -1.46 -0.66 4.20 5.19 -1.12 -2.13 116.42 120.21 3gdg h ASP 94 Ca 0.16 0.13 0.13 0.00 -0.62 0.00 0.00 57.03 56.83 3gdg h ASP 94 Cb 0.55 0.50 -0.10 0.00 0.18 0.00 0.00 39.33 40.46 3gdg h ASP 94 CO -0.72 -0.64 0.11 0.58 -3.12 0.00 0.00 179.24 175.46 3gdg h VAL 95 N -0.93 0.55 -0.54 -1.35 2.07 -0.59 0.27 116.25 115.73 3gdg h VAL 95 Ca -0.05 -0.08 0.11 0.00 0.82 0.00 0.00 66.70 67.51 3gdg h VAL 95 Cb 0.84 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3gdg h VAL 95 CO -0.13 0.04 0.37 0.58 0.02 0.00 0.00 177.57 178.45 3gdg h VAL 96 N 0.22 0.85 0.15 2.57 2.07 -0.17 0.21 116.25 122.16 3gdg h VAL 96 Ca 0.35 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.78 3gdg h VAL 96 Cb 0.57 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3gdg h VAL 96 CO -0.48 0.05 -0.07 0.00 0.02 0.00 0.00 177.57 177.09 3gdg h ALA 97 N 1.73 -0.20 -0.05 1.67 0.00 0.13 0.45 119.26 122.98 3gdg h ALA 97 Ca 0.25 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3gdg h ALA 97 Cb 0.66 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3gdg h ALA 97 CO -0.05 -0.26 -0.36 -0.44 0.00 0.00 0.00 179.25 178.15 3gdg h ASP 98 N -0.92 0.10 -0.01 0.00 3.32 -0.88 -3.24 116.42 114.80 3gdg h ASP 98 Ca -0.02 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3gdg h ASP 98 Cb 0.50 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3gdg h ASP 98 CO 0.03 0.46 -0.12 0.49 -1.72 0.00 0.00 179.24 178.38 3gdg n PHE 99 N -4.09 0.00 0.00 4.55 3.72 0.72 -5.00 117.46 117.36 3gdg n PHE 99 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3gdg n PHE 99 Cb 0.41 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 3gdg n PHE 99 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gdg n GLY 100 N 0.72 2.17 3.75 1.37 0.00 0.16 -4.87 105.19 108.48 3gdg n GLY 100 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 3gdg n GLY 100 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gdg s GLN 101 N 0.00 1.47 -0.08 1.61 -2.07 -1.22 -4.80 119.66 114.58 3gdg s GLN 101 Ca 0.00 -0.78 0.00 0.00 -1.82 0.00 0.00 55.36 52.77 3gdg s GLN 101 Cb 0.00 0.53 0.02 0.00 -1.09 0.00 0.00 33.01 32.47 3gdg s GLN 101 CO 0.00 -0.67 -0.06 0.42 -1.32 0.00 0.00 175.29 173.66 3gdg s ILE 102 N -3.64 0.79 -0.20 3.63 1.09 -1.26 -4.66 121.20 116.95 3gdg s ILE 102 Ca 0.10 -0.20 0.12 0.00 -1.10 0.00 0.00 60.65 59.57 3gdg s ILE 102 Cb -0.04 -0.81 -0.21 0.00 -1.06 0.00 0.00 42.46 40.35 3gdg s ILE 102 CO 0.02 0.31 -0.03 0.47 -0.10 0.00 0.00 174.94 175.61 3gdg n ASP 103 N 4.52 0.98 -3.87 3.58 8.00 0.30 -4.91 116.55 125.16 3gdg n ASP 103 Ca -0.17 -0.04 -0.12 0.00 0.71 0.00 0.00 54.79 55.17 3gdg n ASP 103 Cb 0.51 0.52 -0.14 0.00 -0.02 0.00 0.00 41.12 41.99 3gdg n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gdg s ALA 104 N -2.46 0.03 -0.07 2.24 0.00 -1.06 -1.36 121.76 119.08 3gdg s ALA 104 Ca -0.17 0.01 0.04 0.00 0.00 0.00 0.00 51.96 51.85 3gdg s ALA 104 Cb 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.16 3gdg s ALA 104 CO 0.69 -0.00 -0.21 0.12 0.00 0.00 0.00 175.76 176.36 3gdg s PHE 105 N 0.06 2.19 -0.28 0.00 5.36 0.14 -2.04 117.98 123.42 3gdg s PHE 105 Ca -0.00 -0.76 0.02 0.00 -0.96 0.00 0.00 56.93 55.22 3gdg s PHE 105 Cb -0.01 -1.47 0.08 0.00 -0.34 0.00 0.00 43.02 41.28 3gdg s PHE 105 CO -0.00 -0.28 -0.01 0.42 -1.46 0.00 0.00 175.22 173.89 3gdg s ILE 106 N 0.16 1.76 0.07 3.12 1.01 -0.12 0.48 121.20 127.68 3gdg s ILE 106 Ca -0.10 -1.66 -0.12 0.00 0.00 0.00 0.00 60.65 58.77 3gdg s ILE 106 Cb -0.15 -2.13 -0.06 0.00 0.01 0.00 0.00 42.46 40.13 3gdg s ILE 106 CO 0.05 -0.33 0.43 0.00 0.00 0.00 0.00 174.94 175.09 3gdg s ALA 107 N 1.23 3.69 -0.42 9.38 0.00 -0.68 -1.53 121.76 133.43 3gdg s ALA 107 Ca 0.01 -0.29 0.08 0.00 0.00 0.00 0.00 51.96 51.76 3gdg s ALA 107 Cb -0.19 -2.34 0.26 0.00 0.00 0.00 0.00 23.12 20.85 3gdg s ALA 107 CO -0.09 0.52 0.67 -1.71 0.00 0.00 0.00 175.76 175.15 3gdg n ASN 108 N 1.12 -0.74 -4.57 0.00 5.15 -1.26 -1.66 115.26 113.31 3gdg n ASN 108 Ca -0.09 -2.93 -0.43 0.00 -0.60 0.00 0.00 54.58 50.53 3gdg n ASN 108 Cb 0.52 0.16 -0.03 0.00 -0.53 0.00 0.00 39.78 39.90 3gdg n ASN 108 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gdg s ALA 109 N -0.70 3.15 -0.33 5.20 0.00 -1.26 -4.66 121.76 123.15 3gdg s ALA 109 Ca 0.34 -0.79 0.13 0.00 0.00 0.00 0.00 51.96 51.64 3gdg s ALA 109 Cb 0.21 -3.81 0.46 0.00 0.00 0.00 0.00 23.12 19.98 3gdg s ALA 109 CO -0.14 -2.29 1.09 0.41 0.00 0.00 0.00 175.76 174.82 3gdg n GLY 110 N 4.97 3.96 3.75 0.00 0.00 -1.26 -4.61 105.19 112.00 3gdg n GLY 110 Ca 0.07 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.77 3gdg n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gdg s ALA 111 N -3.50 2.47 0.46 4.61 0.00 -1.26 -5.02 121.76 119.51 3gdg s ALA 111 Ca 0.38 1.02 0.08 0.00 0.00 0.00 0.00 51.96 53.44 3gdg s ALA 111 Cb 0.40 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 20.07 3gdg s ALA 111 CO -0.04 -1.31 0.55 0.95 0.00 0.00 0.00 175.76 175.91 3gdg s THR 112 N -1.62 2.66 -0.20 0.00 -4.23 -1.26 -4.93 115.64 106.06 3gdg s THR 112 Ca 0.78 -1.12 -0.13 0.00 -1.18 0.00 0.00 61.69 60.04 3gdg s THR 112 Cb -0.31 -2.78 -0.08 0.00 1.34 0.00 0.00 72.50 70.67 3gdg s THR 112 CO 0.36 0.00 -0.30 0.00 -0.54 0.00 0.00 174.62 174.14 3gdg n ALA 113 N -1.84 1.41 -0.69 3.99 0.00 -1.26 -4.89 120.51 117.23 3gdg n ALA 113 Ca 0.08 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3gdg n ALA 113 Cb 0.61 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.21 3gdg n ALA 113 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3gdg n ASP 114 N -4.13 0.00 -3.83 0.00 5.68 -1.26 -4.97 116.55 108.04 3gdg n ASP 114 Ca -0.33 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 53.90 3gdg n ASP 114 Cb 0.68 -0.35 -0.02 0.00 -1.14 0.00 0.00 41.12 40.30 3gdg n ASP 114 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3gdg s SER 115 N -3.06 -0.24 0.82 -1.12 1.04 -1.04 -4.91 113.70 105.19 3gdg s SER 115 Ca 0.00 -0.56 -0.06 0.00 0.48 0.00 0.00 55.95 55.81 3gdg s SER 115 Cb 0.00 0.67 0.14 0.00 0.10 0.00 0.00 66.02 66.93 3gdg s SER 115 CO 0.00 -1.24 0.88 0.61 0.98 0.00 0.00 173.24 174.47 3gdg n GLY 116 N -0.46 -0.32 0.19 7.32 0.00 -1.08 -3.88 105.19 106.97 3gdg n GLY 116 Ca -0.05 -1.86 -0.00 0.00 0.00 0.00 0.00 46.02 44.11 3gdg n GLY 116 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gdg h ILE 117 N -1.04 1.29 0.10 -0.61 5.03 -1.91 -0.74 117.51 119.64 3gdg h ILE 117 Ca -0.29 -1.40 -0.16 0.00 -0.12 0.00 0.00 64.86 62.89 3gdg h ILE 117 Cb 0.92 1.67 0.01 0.00 -3.03 0.00 0.00 36.82 36.38 3gdg h ILE 117 CO 0.25 0.41 -0.76 -0.07 -0.68 0.00 0.00 178.15 177.30 3gdg h LEU 118 N 0.12 0.34 -0.62 1.44 4.07 -1.99 -3.31 115.31 115.36 3gdg h LEU 118 Ca 0.01 -0.93 -0.07 0.00 0.08 0.00 0.00 57.88 56.97 3gdg h LEU 118 Cb 0.74 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.36 3gdg h LEU 118 CO 0.06 1.35 -0.33 0.44 -1.08 0.00 0.00 178.44 178.87 3gdg h ASP 119 N -0.52 0.00 -4.31 -0.43 3.32 -1.97 -3.45 116.42 109.06 3gdg h ASP 119 Ca -0.15 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.40 3gdg h ASP 119 Cb 1.52 0.00 0.07 0.00 0.22 0.00 0.00 39.33 41.13 3gdg h ASP 119 CO 0.09 0.33 0.39 -0.83 -1.72 0.00 0.00 179.24 177.50 3gdg s GLY 120 N -4.35 1.77 0.50 2.75 0.00 -0.28 -4.97 107.32 102.73 3gdg s GLY 120 Ca 0.02 0.07 0.01 0.00 0.00 0.00 0.00 44.72 44.82 3gdg s GLY 120 CO 0.68 0.36 0.73 -1.35 0.00 0.00 0.00 173.10 173.52 3gdg s SER 121 N -3.74 5.53 0.17 1.64 1.04 -1.26 -4.91 113.70 112.17 3gdg s SER 121 Ca 0.58 0.12 -0.12 0.00 0.48 0.00 0.00 55.95 57.00 3gdg s SER 121 Cb -0.13 -1.17 0.07 0.00 0.10 0.00 0.00 66.02 64.89 3gdg s SER 121 CO 0.50 -0.94 1.71 0.58 0.98 0.00 0.00 173.24 176.06 3gdg h VAL 122 N 0.22 1.24 -0.72 5.02 2.07 -1.97 -2.36 116.25 119.75 3gdg h VAL 122 Ca -0.44 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 66.34 3gdg h VAL 122 Cb 1.28 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 3gdg h VAL 122 CO 0.54 0.29 0.48 -0.33 0.02 0.00 0.00 177.57 178.57 3gdg h GLU 123 N 0.81 0.85 -0.66 1.57 5.08 -1.98 -0.06 114.58 120.19 3gdg h GLU 123 Ca 0.19 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 3gdg h GLU 123 Cb 0.25 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3gdg h GLU 123 CO -0.01 0.56 0.22 0.00 -1.00 0.00 0.00 179.01 178.79 3gdg h ALA 124 N 1.58 0.86 0.40 3.43 0.00 -1.82 0.16 119.26 123.87 3gdg h ALA 124 Ca 0.29 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3gdg h ALA 124 Cb 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3gdg h ALA 124 CO -0.08 0.52 -0.19 2.35 0.00 0.00 0.00 179.25 181.85 3gdg h TRP 125 N 0.95 -0.50 -0.69 0.00 2.91 -0.90 -2.96 115.95 114.76 3gdg h TRP 125 Ca 0.21 -0.01 0.15 0.00 1.13 0.00 0.00 58.89 60.37 3gdg h TRP 125 Cb 0.28 0.17 -0.12 0.00 -0.51 0.00 0.00 29.16 28.97 3gdg h TRP 125 CO 0.02 -0.20 0.00 -0.91 -1.03 0.00 0.00 178.44 176.32 3gdg h ASN 126 N -0.77 -0.31 -0.29 2.65 2.35 -0.80 -2.49 115.58 115.92 3gdg h ASN 126 Ca -0.06 0.17 0.03 0.00 -0.55 0.00 0.00 56.30 55.90 3gdg h ASN 126 Cb 0.53 0.31 -0.03 0.00 0.05 0.00 0.00 38.32 39.17 3gdg h ASN 126 CO 0.09 -0.15 0.10 -0.74 -1.65 0.00 0.00 177.43 175.09 3gdg h HIS 127 N 0.11 0.19 -0.51 1.19 2.76 -0.61 -0.52 115.15 117.76 3gdg h HIS 127 Ca 0.37 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.52 3gdg h HIS 127 Cb 0.62 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.51 3gdg h HIS 127 CO -0.40 0.09 0.20 0.28 -1.30 0.00 0.00 177.93 176.80 3gdg h VAL 128 N 0.23 1.22 -0.26 5.26 2.07 -1.29 -2.34 116.25 121.15 3gdg h VAL 128 Ca 0.13 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 3gdg h VAL 128 Cb 0.09 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3gdg h VAL 128 CO -0.13 0.26 -0.05 0.58 0.02 0.00 0.00 177.57 178.25 3gdg h VAL 129 N 0.68 1.28 -1.01 2.57 2.07 -1.37 0.20 116.25 120.68 3gdg h VAL 129 Ca 0.17 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.66 3gdg h VAL 129 Cb 0.21 1.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 3gdg h VAL 129 CO -0.01 0.33 0.66 -0.61 0.02 0.00 0.00 177.57 177.96 3gdg h GLN 130 N 0.24 1.25 0.03 1.57 5.75 -1.03 0.40 115.11 123.32 3gdg h GLN 130 Ca 0.07 -0.08 -0.14 0.00 -0.15 0.00 0.00 58.65 58.35 3gdg h GLN 130 Cb 0.52 -0.28 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 3gdg h GLN 130 CO 0.02 0.83 -0.74 0.28 -2.65 0.00 0.00 178.83 176.58 3gdg h VAL 131 N 1.29 1.34 -0.14 2.39 2.07 -1.41 0.15 116.25 121.94 3gdg h VAL 131 Ca 0.39 -2.31 -0.20 0.00 0.82 0.00 0.00 66.70 65.41 3gdg h VAL 131 Cb -0.03 2.85 0.01 0.00 -1.52 0.00 0.00 31.29 32.60 3gdg h VAL 131 CO -0.12 0.53 -0.69 0.44 0.02 0.00 0.00 177.57 177.75 3gdg h ASP 132 N -0.84 0.85 0.00 0.57 3.45 -0.57 -2.11 116.42 117.77 3gdg h ASP 132 Ca -0.18 -0.63 -0.13 0.00 0.43 0.00 0.00 57.03 56.51 3gdg h ASP 132 Cb 1.28 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 39.78 3gdg h ASP 132 CO -0.06 1.34 -1.31 -0.11 -1.57 0.00 0.00 179.24 177.54 3gdg n LEU 133 N -4.03 1.92 0.09 1.55 7.94 0.12 -3.66 117.00 120.92 3gdg n LEU 133 Ca -0.08 0.39 0.00 0.00 -1.11 0.00 0.00 56.01 55.22 3gdg n LEU 133 Cb 0.70 -0.80 0.31 0.00 0.53 0.00 0.00 43.42 44.16 3gdg n LEU 133 CO 0.51 -0.06 0.81 0.78 -1.11 0.00 0.00 177.39 178.32 3gdg h ASN 134 N -1.00 0.29 -0.33 1.96 2.35 -0.84 -1.22 115.58 116.79 3gdg h ASN 134 Ca -0.20 -0.08 0.02 0.00 -0.55 0.00 0.00 56.30 55.49 3gdg h ASN 134 Cb 1.09 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.35 3gdg h ASN 134 CO -0.12 0.51 0.16 1.23 -1.65 0.00 0.00 177.43 177.56 3gdg h GLY 135 N 0.92 0.43 1.36 2.83 0.00 0.03 0.49 103.07 109.13 3gdg h GLY 135 Ca 0.05 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 3gdg h GLY 135 CO 0.04 0.08 0.04 -0.84 0.00 0.00 0.00 176.54 175.86 3gdg h THR 136 N 0.33 1.24 -0.55 4.70 2.02 -1.52 -2.59 112.91 116.53 3gdg h THR 136 Ca 0.14 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 3gdg h THR 136 Cb 0.05 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 3gdg h THR 136 CO -0.10 0.33 0.27 0.15 0.37 0.00 0.00 175.52 176.54 3gdg h PHE 137 N 0.75 0.79 -0.20 3.16 3.57 -0.46 -1.83 116.94 122.73 3gdg h PHE 137 Ca 0.15 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.66 3gdg h PHE 137 Cb 0.40 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 3gdg h PHE 137 CO 0.02 0.61 -0.11 0.45 -2.23 0.00 0.00 178.31 177.04 3gdg h HIS 138 N 0.74 -0.28 -0.25 0.41 3.86 -0.55 0.18 115.15 119.26 3gdg h HIS 138 Ca 0.19 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.46 3gdg h HIS 138 Cb 0.11 0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.70 3gdg h HIS 138 CO -0.00 -0.17 0.02 0.00 0.86 0.00 0.00 177.93 178.63 3gdg h ALA 140 N 1.21 0.59 -0.14 0.00 0.00 -0.71 -1.08 119.26 119.13 3gdg h ALA 140 Ca 0.12 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3gdg h ALA 140 Cb 0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gdg h ALA 140 CO -0.19 -0.02 -0.20 -0.22 0.00 0.00 0.00 179.25 178.62 3gdg h LYS 141 N 0.57 0.39 -0.88 0.00 3.64 -0.41 0.79 116.57 120.66 3gdg h LYS 141 Ca 0.18 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3gdg h LYS 141 Cb -0.00 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 3gdg h LYS 141 CO -0.07 0.81 0.51 0.00 -2.27 0.00 0.00 179.45 178.42 3gdg h ALA 142 N 0.57 1.13 0.00 5.00 0.00 -0.31 -2.80 119.26 122.85 3gdg h ALA 142 Ca 0.01 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 3gdg h ALA 142 Cb 0.77 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3gdg h ALA 142 CO 0.05 0.61 -1.34 0.28 0.00 0.00 0.00 179.25 178.84 3gdg h VAL 143 N 1.22 0.47 -0.17 0.00 2.07 -1.24 -3.38 116.25 115.22 3gdg h VAL 143 Ca 0.31 -1.92 0.05 0.00 0.82 0.00 0.00 66.70 65.97 3gdg h VAL 143 Cb -0.01 2.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.69 3gdg h VAL 143 CO -0.05 0.27 -0.30 1.23 0.02 0.00 0.00 177.57 178.74 3gdg h GLY 144 N 3.73 -0.35 -0.21 2.17 0.00 0.87 -1.50 103.07 107.79 3gdg h GLY 144 Ca -0.14 0.36 0.20 0.00 0.00 0.00 0.00 47.33 47.75 3gdg h GLY 144 CO 0.04 -0.21 0.26 0.45 0.00 0.00 0.00 176.54 177.08 3gdg h HIS 145 N -0.35 0.41 -0.43 5.60 3.86 -1.71 0.11 115.15 122.64 3gdg h HIS 145 Ca 0.11 0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.32 3gdg h HIS 145 Cb 0.52 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 3gdg h HIS 145 CO -0.40 -0.10 0.11 1.25 0.86 0.00 0.00 177.93 179.65 3gdg h HIS 146 N 0.30 0.71 -0.66 2.45 6.17 -1.55 -2.72 115.15 119.85 3gdg h HIS 146 Ca 0.49 -0.08 0.00 0.00 0.71 0.00 0.00 60.37 61.49 3gdg h HIS 146 Cb 0.91 -0.20 -0.03 0.00 2.52 0.00 0.00 27.41 30.61 3gdg h HIS 146 CO -0.23 0.66 0.42 0.74 0.71 0.00 0.00 177.93 180.24 3gdg h PHE 147 N 0.55 0.85 0.00 5.26 0.04 0.15 -0.47 116.94 123.32 3gdg h PHE 147 Ca 0.14 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.91 3gdg h PHE 147 Cb 0.30 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 38.17 3gdg h PHE 147 CO 0.02 0.55 -0.02 -0.22 -0.60 0.00 0.00 178.31 178.04 3gdg h LYS 148 N 0.90 0.00 0.00 1.51 3.64 -1.22 -0.00 116.57 121.39 3gdg h LYS 148 Ca 0.24 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 3gdg h LYS 148 Cb -0.07 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3gdg h LYS 148 CO -0.05 0.02 -0.21 1.49 -2.27 0.00 0.00 179.45 178.44 3gdg h GLU 149 N 0.00 0.00 -0.01 1.90 4.81 -0.77 -3.26 114.58 117.25 3gdg h GLU 149 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3gdg h GLU 149 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3gdg h GLU 149 CO 0.00 0.21 -0.15 0.54 -0.73 0.00 0.00 179.01 178.88 3gdg n ARG 150 N -3.19 2.23 -2.07 1.92 1.74 -0.68 -4.99 116.66 111.62 3gdg n ARG 150 Ca 0.02 -0.52 -0.17 0.00 -0.77 0.00 0.00 57.85 56.41 3gdg n ARG 150 Cb 0.56 -1.00 -0.03 0.00 -1.02 0.00 0.00 32.46 30.97 3gdg n ARG 150 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gdg n GLY 151 N 0.77 0.29 3.35 -0.13 0.00 -0.10 -4.97 105.19 104.41 3gdg n GLY 151 Ca 0.03 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 3gdg n GLY 151 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gdg s THR 152 N -2.79 0.04 0.00 2.61 -4.23 -0.27 -4.65 115.64 106.35 3gdg s THR 152 Ca 0.00 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 3gdg s THR 152 Cb 0.00 -1.10 0.00 0.00 1.34 0.00 0.00 72.50 72.74 3gdg s THR 152 CO 0.00 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 3gdg n GLY 153 N -0.28 4.44 2.91 3.99 0.00 -1.13 -4.53 105.19 110.59 3gdg n GLY 153 Ca -0.16 -1.09 -0.22 0.00 0.00 0.00 0.00 46.02 44.55 3gdg n GLY 153 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gdg s SER 154 N 0.00 1.42 -0.20 1.61 0.15 -0.47 -1.31 113.70 114.90 3gdg s SER 154 Ca 0.00 -0.19 -0.02 0.00 0.70 0.00 0.00 55.95 56.43 3gdg s SER 154 Cb 0.00 -0.60 -0.00 0.00 -1.71 0.00 0.00 66.02 63.70 3gdg s SER 154 CO 0.00 -0.06 -0.08 -0.22 1.20 0.00 0.00 173.24 174.08 3gdg s LEU 155 N 1.09 2.73 -0.34 3.45 2.96 -0.68 0.27 118.68 128.15 3gdg s LEU 155 Ca -0.08 -0.43 -0.05 0.00 -0.22 0.00 0.00 54.13 53.35 3gdg s LEU 155 Cb -0.14 -1.67 0.05 0.00 0.50 0.00 0.00 46.19 44.93 3gdg s LEU 155 CO -0.01 0.01 0.10 -0.69 -1.32 0.00 0.00 176.35 174.45 3gdg s VAL 156 N 1.26 3.56 -0.21 1.68 1.01 0.18 -2.03 120.40 125.85 3gdg s VAL 156 Ca 0.03 -1.31 -0.15 0.00 0.00 0.00 0.00 61.98 60.55 3gdg s VAL 156 Cb -0.14 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3gdg s VAL 156 CO -0.04 -0.24 0.34 -0.63 0.00 0.00 0.00 175.10 174.54 3gdg s ILE 157 N 1.34 5.24 -0.66 2.22 1.01 -0.08 -1.69 121.20 128.57 3gdg s ILE 157 Ca -0.01 0.59 -0.23 0.00 0.00 0.00 0.00 60.65 60.99 3gdg s ILE 157 Cb -0.20 -3.68 0.06 0.00 0.01 0.00 0.00 42.46 38.66 3gdg s ILE 157 CO 0.01 0.28 1.00 -0.89 0.00 0.00 0.00 174.94 175.34 3gdg s THR 158 N 1.23 4.25 0.00 2.92 2.01 -0.66 -2.04 115.64 123.35 3gdg s THR 158 Ca 0.16 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 61.92 3gdg s THR 158 Cb -0.14 -4.71 0.00 0.00 0.01 0.00 0.00 72.50 67.66 3gdg s THR 158 CO 0.07 -1.50 0.00 0.00 -0.69 0.00 0.00 174.62 172.50 3gdg n ALA 159 N 7.91 0.00 0.00 7.40 0.00 0.42 -4.63 120.51 131.61 3gdg n ALA 159 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3gdg n ALA 159 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 3gdg n ALA 159 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gdg n SER 160 N 0.00 0.00 0.19 0.00 2.88 -1.24 -4.65 113.62 110.80 3gdg n SER 160 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 3gdg n SER 160 Cb 0.00 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.18 3gdg n SER 160 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gdg h MET 161 N 0.00 0.00 0.00 -1.46 -0.00 -1.28 0.92 114.93 113.11 3gdg h MET 161 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3gdg h MET 161 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 3gdg h MET 161 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.91 177.34 3gdg n SER 162 N -4.28 0.41 0.17 -0.10 7.64 -1.26 0.22 113.62 116.42 3gdg n SER 162 Ca 0.01 0.67 0.13 0.00 1.01 0.00 0.00 58.87 60.69 3gdg n SER 162 Cb 0.26 -0.73 0.34 0.00 -1.01 0.00 0.00 64.21 63.08 3gdg n SER 162 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3gdg h GLY 163 N 0.46 0.00 0.00 0.23 0.00 0.69 -3.34 103.07 101.11 3gdg h GLY 163 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 3gdg h GLY 163 CO 0.00 0.00 -2.35 1.42 0.00 0.00 0.00 176.54 175.61 3gdg n HIS 164 N -2.69 0.00 -4.32 5.60 8.25 0.13 -4.17 115.22 118.02 3gdg n HIS 164 Ca 0.04 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.36 3gdg n HIS 164 Cb 0.44 -0.88 -0.03 0.00 1.12 0.00 0.00 29.99 30.64 3gdg n HIS 164 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3gdg n ILE 165 N -3.72 0.00 -4.41 1.59 -6.64 -0.48 -5.14 119.36 100.56 3gdg n ILE 165 Ca -0.45 -1.03 -0.33 0.00 -1.77 0.00 0.00 62.75 59.17 3gdg n ILE 165 Cb 0.88 0.21 -0.16 0.00 -1.44 0.00 0.00 39.64 39.13 3gdg n ILE 165 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3gdg s ALA 166 N -2.38 2.38 0.43 -1.28 0.00 -1.26 -4.41 121.76 115.25 3gdg s ALA 166 Ca 0.00 -1.13 -0.26 0.00 0.00 0.00 0.00 51.96 50.58 3gdg s ALA 166 Cb 0.00 -1.16 -0.09 0.00 0.00 0.00 0.00 23.12 21.87 3gdg s ALA 166 CO 0.00 -0.16 1.44 -0.80 0.00 0.00 0.00 175.76 176.24 3gdg s ASN 167 N 1.01 5.99 -0.03 0.00 -0.87 -1.26 -5.02 114.94 114.76 3gdg s ASN 167 Ca -0.02 2.96 0.03 0.00 -1.57 0.00 0.00 52.86 54.26 3gdg s ASN 167 Cb -0.15 -2.66 -0.00 0.00 -0.02 0.00 0.00 41.25 38.43 3gdg s ASN 167 CO -0.05 -1.10 -0.12 0.12 -2.57 0.00 0.00 177.10 173.38 3gdg s PHE 168 N -1.18 1.18 -2.57 2.20 2.19 -1.26 -4.28 117.98 114.27 3gdg s PHE 168 Ca 0.59 -0.30 0.25 0.00 0.33 0.00 0.00 56.93 57.81 3gdg s PHE 168 Cb -0.44 -0.81 0.74 0.00 -1.31 0.00 0.00 43.02 41.19 3gdg s PHE 168 CO 0.58 -0.10 1.57 -0.35 1.83 0.00 0.00 175.22 178.75 3gdg n PRO 169 N 3.15 1.90 -2.37 10.12 -0.04 -1.26 -4.86 135.00 141.65 3gdg n PRO 169 Ca -0.17 -1.32 -0.40 0.00 -0.04 0.00 0.00 63.50 61.57 3gdg n PRO 169 Cb 0.54 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 3gdg n PRO 169 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3gdg s GLN 170 N -1.91 4.42 -0.30 0.54 1.11 -1.26 -5.01 119.66 117.24 3gdg s GLN 170 Ca 0.35 1.87 -0.12 0.00 0.01 0.00 0.00 55.36 57.47 3gdg s GLN 170 Cb 0.20 -3.00 -0.03 0.00 -1.01 0.00 0.00 33.01 29.17 3gdg s GLN 170 CO 0.31 -0.01 0.20 -1.21 0.01 0.00 0.00 175.29 174.59 3gdg s GLU 171 N -1.79 3.73 -0.33 2.91 0.41 -1.26 -4.63 118.70 117.73 3gdg s GLU 171 Ca 0.49 -0.48 0.16 0.00 -0.41 0.00 0.00 54.97 54.73 3gdg s GLU 171 Cb -0.32 -3.70 0.44 0.00 -1.78 0.00 0.00 34.13 28.77 3gdg s GLU 171 CO 0.42 -0.30 1.15 0.00 -0.49 0.00 0.00 175.26 176.04 3gdg n GLN 172 N 5.07 1.28 -0.31 1.61 10.64 -1.25 -2.49 117.38 131.93 3gdg n GLN 172 Ca -0.14 -2.68 0.13 0.00 -1.83 0.00 0.00 57.00 52.48 3gdg n GLN 172 Cb 0.51 -0.79 0.30 0.00 -0.86 0.00 0.00 30.24 29.39 3gdg n GLN 172 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 3gdg h THR 173 N 3.26 0.52 -0.47 -0.39 2.02 -1.93 -0.79 112.91 115.12 3gdg h THR 173 Ca -0.19 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 66.88 3gdg h THR 173 Cb 1.24 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 3gdg h THR 173 CO 0.22 0.08 0.23 0.77 0.37 0.00 0.00 175.52 177.19 3gdg h SER 174 N 0.44 0.32 0.12 4.18 4.64 -1.94 0.37 113.55 121.69 3gdg h SER 174 Ca 0.55 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.89 3gdg h SER 174 Cb 1.01 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3gdg h SER 174 CO -0.50 0.23 -0.06 0.22 -0.87 0.00 0.00 176.83 175.85 3gdg h TYR 175 N 0.46 -0.15 -0.51 4.77 3.20 -1.55 0.60 116.97 123.78 3gdg h TYR 175 Ca 0.21 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.12 3gdg h TYR 175 Cb 0.13 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 3gdg h TYR 175 CO -0.11 -0.05 0.26 -0.91 -1.64 0.00 0.00 178.16 175.71 3gdg h ASN 176 N -0.21 0.37 -0.46 -2.11 2.35 -0.90 -0.00 115.58 114.62 3gdg h ASN 176 Ca -0.02 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3gdg h ASN 176 Cb 0.17 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 3gdg h ASN 176 CO 0.03 0.26 0.28 0.58 -1.65 0.00 0.00 177.43 176.92 3gdg h VAL 177 N 0.50 1.14 -0.90 2.81 2.07 -0.09 0.41 116.25 122.19 3gdg h VAL 177 Ca 0.22 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 3gdg h VAL 177 Cb 0.13 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 3gdg h VAL 177 CO -0.15 0.14 0.49 0.00 0.02 0.00 0.00 177.57 178.06 3gdg h ALA 178 N 1.14 1.15 -0.38 1.67 0.00 -0.27 -2.15 119.26 120.42 3gdg h ALA 178 Ca 0.17 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3gdg h ALA 178 Cb -0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3gdg h ALA 178 CO -0.03 0.67 -0.17 0.87 0.00 0.00 0.00 179.25 180.59 3gdg h LYS 179 N 1.26 0.71 -0.60 0.00 1.79 -0.51 -2.46 116.57 116.76 3gdg h LYS 179 Ca 0.32 -0.25 0.01 0.00 -2.18 0.00 0.00 60.65 58.54 3gdg h LYS 179 Cb 0.04 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 3gdg h LYS 179 CO -0.05 0.84 0.39 0.00 -1.08 0.00 0.00 179.45 179.55 3gdg h ALA 180 N 1.18 0.76 0.00 3.86 0.00 -0.45 -2.05 119.26 122.56 3gdg h ALA 180 Ca 0.10 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3gdg h ALA 180 Cb 0.64 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3gdg h ALA 180 CO 0.05 0.18 -0.25 0.78 0.00 0.00 0.00 179.25 180.00 3gdg h GLY 181 N 0.80 0.00 1.09 0.00 0.00 -1.10 -2.32 103.07 101.53 3gdg h GLY 181 Ca 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.40 3gdg h GLY 181 CO -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 176.54 176.12 3gdg h ILE 183 N 0.68 1.01 0.00 0.00 2.04 -1.05 -1.85 117.51 118.34 3gdg h ILE 183 Ca 0.06 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 3gdg h ILE 183 Cb 0.95 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 38.24 3gdg h ILE 183 CO 0.09 0.07 -0.10 -0.74 0.00 0.00 0.00 178.15 177.48 3gdg h HIS 184 N -0.23 0.00 -0.65 1.37 2.76 -1.38 -2.38 115.15 114.62 3gdg h HIS 184 Ca -0.01 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.10 3gdg h HIS 184 Cb 0.20 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.13 3gdg h HIS 184 CO -0.03 0.10 0.17 1.98 -1.30 0.00 0.00 177.93 178.85 3gdg h MET 185 N 0.00 1.04 -0.53 5.26 -1.53 0.34 -1.76 114.93 117.74 3gdg h MET 185 Ca -0.00 -0.24 0.01 0.00 -3.44 0.00 0.00 59.70 56.03 3gdg h MET 185 Cb 0.62 -0.14 -0.03 0.00 -0.55 0.00 0.00 31.60 31.50 3gdg h MET 185 CO 0.01 0.93 0.34 0.00 0.14 0.00 0.00 176.91 178.33 3gdg h ALA 186 N 1.07 0.67 -0.24 0.39 0.00 -0.82 -0.08 119.26 120.25 3gdg h ALA 186 Ca 0.21 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3gdg h ALA 186 Cb 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3gdg h ALA 186 CO 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 179.25 179.30 3gdg h ARG 187 N 0.69 0.46 -0.65 0.00 3.08 -1.45 -0.67 114.38 115.84 3gdg h ARG 187 Ca 0.20 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 3gdg h ARG 187 Cb -0.05 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3gdg h ARG 187 CO -0.06 0.67 0.07 1.03 -1.07 0.00 0.00 179.97 180.61 3gdg h SER 188 N 0.21 1.06 0.56 7.04 0.87 -1.17 -2.38 113.55 119.73 3gdg h SER 188 Ca 0.06 -0.27 -0.13 0.00 -1.23 0.00 0.00 61.79 60.23 3gdg h SER 188 Cb 0.48 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 3gdg h SER 188 CO 0.02 1.07 -0.59 -0.07 -0.53 0.00 0.00 176.83 176.72 3gdg h LEU 189 N 1.02 0.04 -0.58 2.23 3.38 -1.00 -0.37 115.31 120.03 3gdg h LEU 189 Ca 0.19 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3gdg h LEU 189 Cb 0.48 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3gdg h LEU 189 CO 0.02 0.62 0.36 0.00 0.09 0.00 0.00 178.44 179.53 3gdg h ALA 190 N 1.38 0.74 -0.40 1.53 0.00 -0.71 0.16 119.26 121.95 3gdg h ALA 190 Ca -0.01 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 3gdg h ALA 190 Cb 1.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3gdg h ALA 190 CO 0.08 0.21 -0.33 -0.97 0.00 0.00 0.00 179.25 178.24 3gdg h ASN 191 N 0.79 0.96 -0.13 0.00 -1.24 -1.18 -2.25 115.58 112.53 3gdg h ASN 191 Ca 0.21 -0.41 -0.01 0.00 0.71 0.00 0.00 56.30 56.80 3gdg h ASN 191 Cb -0.04 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.73 3gdg h ASN 191 CO -0.04 1.20 0.05 -0.08 -1.29 0.00 0.00 177.43 177.26 3gdg h GLU 192 N 0.77 0.21 -0.72 6.67 4.81 -0.45 -2.83 114.58 123.02 3gdg h GLU 192 Ca 0.08 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3gdg h GLU 192 Cb 0.91 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.25 3gdg h GLU 192 CO 0.08 0.32 0.00 0.91 -0.73 0.00 0.00 179.01 179.60 3gdg n TRP 193 N -4.87 1.18 0.23 0.92 8.01 0.50 -4.61 117.44 118.80 3gdg n TRP 193 Ca -0.05 -0.42 0.11 0.00 -1.31 0.00 0.00 57.50 55.83 3gdg n TRP 193 Cb 0.13 -0.31 0.40 0.00 -2.01 0.00 0.00 31.31 29.51 3gdg n TRP 193 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.69 176.75 3gdg h ARG 194 N 2.40 0.00 -0.01 -0.99 0.11 -1.14 0.34 114.38 115.09 3gdg h ARG 194 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3gdg h ARG 194 Cb 1.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.39 3gdg h ARG 194 CO 0.27 0.00 -0.38 -0.25 0.10 0.00 0.00 179.97 179.71 3gdg n ASP 195 N -2.85 1.44 0.00 0.08 10.43 -1.26 -3.63 116.55 120.76 3gdg n ASP 195 Ca 0.04 -1.15 0.00 0.00 2.57 0.00 0.00 54.79 56.25 3gdg n ASP 195 Cb 0.85 0.31 0.00 0.00 1.84 0.00 0.00 41.12 44.12 3gdg n ASP 195 CO 0.00 0.00 0.00 2.22 -1.07 0.00 0.00 177.20 178.35 3gdg n PHE 196 N -0.43 0.00 -3.60 1.24 -1.74 0.06 -4.64 117.46 108.35 3gdg n PHE 196 Ca 0.11 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.92 3gdg n PHE 196 Cb 0.40 0.02 -0.05 0.00 1.52 0.00 0.00 39.48 41.37 3gdg n PHE 196 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3gdg s ALA 197 N 0.00 -1.99 0.18 1.98 0.00 -0.87 -1.11 121.76 119.95 3gdg s ALA 197 Ca 0.00 1.69 -0.00 0.00 0.00 0.00 0.00 51.96 53.65 3gdg s ALA 197 Cb 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 3gdg s ALA 197 CO 0.00 -0.28 0.36 1.03 0.00 0.00 0.00 175.76 176.86 3gdg s ARG 198 N -1.02 3.50 -0.02 0.00 0.52 -0.43 -4.40 118.95 117.10 3gdg s ARG 198 Ca 0.02 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.83 3gdg s ARG 198 Cb -0.01 -2.88 0.03 0.00 0.52 0.00 0.00 34.95 32.61 3gdg s ARG 198 CO -0.02 0.44 0.02 0.08 0.02 0.00 0.00 175.30 175.85 3gdg s VAL 199 N -1.81 -0.01 0.19 3.52 1.01 -1.26 -1.69 120.40 120.34 3gdg s VAL 199 Ca 0.37 0.18 -0.10 0.00 0.00 0.00 0.00 61.98 62.43 3gdg s VAL 199 Cb -0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 3gdg s VAL 199 CO 0.29 0.09 0.34 0.20 0.00 0.00 0.00 175.10 176.02 3gdg s ASN 200 N 0.97 -0.01 0.09 3.32 0.01 -0.86 0.74 114.94 119.20 3gdg s ASN 200 Ca -0.08 -0.88 0.04 0.00 -0.71 0.00 0.00 52.86 51.22 3gdg s ASN 200 Cb -0.12 0.48 -0.03 0.00 0.41 0.00 0.00 41.25 41.99 3gdg s ASN 200 CO -0.03 -0.96 -0.10 -0.94 -1.51 0.00 0.00 177.10 173.56 3gdg s SER 201 N -2.98 1.41 -0.09 -1.22 1.04 -0.78 -0.90 113.70 110.18 3gdg s SER 201 Ca 0.19 -0.79 0.03 0.00 0.48 0.00 0.00 55.95 55.86 3gdg s SER 201 Cb 0.02 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 3gdg s SER 201 CO 0.03 -0.25 -0.18 -0.63 0.98 0.00 0.00 173.24 173.18 3gdg s ILE 202 N -2.34 2.60 -0.70 -1.02 1.09 -0.87 -1.77 121.20 118.20 3gdg s ILE 202 Ca 0.04 -0.85 -0.00 0.00 -1.10 0.00 0.00 60.65 58.74 3gdg s ILE 202 Cb -0.03 -2.03 0.17 0.00 -1.06 0.00 0.00 42.46 39.51 3gdg s ILE 202 CO 0.00 0.55 0.52 -0.44 -0.10 0.00 0.00 174.94 175.47 3gdg s SER 203 N 0.04 5.24 0.69 3.58 0.01 -0.24 -0.43 113.70 122.58 3gdg s SER 203 Ca -0.07 -3.29 -0.14 0.00 1.31 0.00 0.00 55.95 53.75 3gdg s SER 203 Cb -0.15 -1.80 0.01 0.00 0.21 0.00 0.00 66.02 64.29 3gdg s SER 203 CO 0.05 -0.25 1.13 -2.84 0.41 0.00 0.00 173.24 171.74 3gdg s PRO 204 N -0.69 2.60 0.00 12.44 0.02 -1.26 -1.89 135.00 146.21 3gdg s PRO 204 Ca 0.21 1.44 0.00 0.00 0.02 0.00 0.00 61.00 62.67 3gdg s PRO 204 Cb -0.15 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.45 3gdg s PRO 204 CO -0.07 -1.42 0.00 0.41 -0.33 0.00 0.00 177.00 175.59 3gdg n GLY 205 N -0.40 0.98 3.71 0.52 0.00 0.17 -1.24 105.19 108.93 3gdg n GLY 205 Ca 0.11 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 3gdg n GLY 205 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gdg s TYR 206 N 2.50 3.60 -0.07 1.61 2.02 -1.26 -4.84 117.35 120.91 3gdg s TYR 206 Ca 0.00 1.45 0.01 0.00 -0.37 0.00 0.00 57.07 58.16 3gdg s TYR 206 Cb 0.00 -2.97 0.02 0.00 -0.40 0.00 0.00 41.96 38.61 3gdg s TYR 206 CO 0.00 0.01 -0.08 0.42 -1.57 0.00 0.00 175.55 174.32 3gdg s ILE 207 N 1.05 0.90 -0.74 2.71 1.01 -1.26 -0.73 121.20 124.13 3gdg s ILE 207 Ca 0.44 -0.30 -0.24 0.00 0.00 0.00 0.00 60.65 60.54 3gdg s ILE 207 Cb -0.19 -0.87 0.05 0.00 0.01 0.00 0.00 42.46 41.46 3gdg s ILE 207 CO 0.22 0.31 1.16 -0.62 0.00 0.00 0.00 174.94 176.01 3gdg s ASP 208 N 1.03 6.22 -0.26 3.58 2.15 -0.21 -4.79 116.67 124.39 3gdg s ASP 208 Ca -0.08 -0.85 -0.02 0.00 0.43 0.00 0.00 52.55 52.03 3gdg s ASP 208 Cb -0.14 -2.49 -0.17 0.00 -0.30 0.00 0.00 42.92 39.82 3gdg s ASP 208 CO -0.00 -1.60 -0.22 0.35 -0.17 0.00 0.00 175.17 173.52 3gdg n THR 209 N 6.18 1.51 0.00 1.71 -2.24 -1.26 -4.36 114.28 115.83 3gdg n THR 209 Ca 0.04 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3gdg n THR 209 Cb 0.48 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 3gdg n THR 209 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gdg n GLY 210 N 2.05 0.00 2.81 3.38 0.00 -1.26 -3.74 105.19 108.43 3gdg n GLY 210 Ca -0.47 -0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 3gdg n GLY 210 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gdg s LEU 211 N -1.22 0.34 -0.26 0.99 2.96 -1.26 -4.99 118.68 115.23 3gdg s LEU 211 Ca 0.00 0.23 0.10 0.00 -0.22 0.00 0.00 54.13 54.24 3gdg s LEU 211 Cb 0.00 0.15 0.46 0.00 0.50 0.00 0.00 46.19 47.30 3gdg s LEU 211 CO 0.00 -0.21 1.18 -1.54 -1.32 0.00 0.00 176.35 174.47 3gdg n SER 212 N 4.88 3.88 0.00 3.68 3.41 -1.26 -5.10 113.62 123.11 3gdg n SER 212 Ca -0.13 -3.52 0.00 0.00 -0.26 0.00 0.00 58.87 54.96 3gdg n SER 212 Cb 0.50 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3gdg n SER 212 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3gdg n ASP 213 N -0.73 0.00 -4.41 4.04 9.92 -1.26 -4.27 116.55 119.84 3gdg n ASP 213 Ca 0.34 0.00 -0.44 0.00 -0.53 0.00 0.00 54.79 54.16 3gdg n ASP 213 Cb 0.91 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 41.35 3gdg n ASP 213 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 3gdg s PHE 214 N 0.00 2.92 -0.12 1.24 2.19 -1.26 -5.01 117.98 117.94 3gdg s PHE 214 Ca 0.00 -0.91 0.02 0.00 0.33 0.00 0.00 56.93 56.37 3gdg s PHE 214 Cb 0.00 -4.15 0.02 0.00 -1.31 0.00 0.00 43.02 37.57 3gdg s PHE 214 CO 0.00 -1.45 -0.16 0.14 1.83 0.00 0.00 175.22 175.59 3gdg s VAL 215 N 3.11 1.56 0.56 3.12 -7.23 -1.26 -5.11 120.40 115.15 3gdg s VAL 215 Ca 0.19 -0.67 -0.18 0.00 -1.81 0.00 0.00 61.98 59.51 3gdg s VAL 215 Cb -0.18 -1.43 -0.13 0.00 0.56 0.00 0.00 36.38 35.20 3gdg s VAL 215 CO 0.05 0.45 0.00 -2.65 -0.31 0.00 0.00 175.10 172.64 3gdg n PRO 216 N 4.28 0.12 0.06 4.82 -0.02 -1.26 -4.76 135.00 138.24 3gdg n PRO 216 Ca -0.19 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 3gdg n PRO 216 Cb 0.51 -1.19 0.31 0.00 -0.02 0.00 0.00 33.50 33.11 3gdg n PRO 216 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3gdg h LYS 217 N -0.04 0.36 0.00 -0.52 3.11 -1.99 -2.65 116.57 114.84 3gdg h LYS 217 Ca -0.42 -0.10 -0.10 0.00 -2.81 0.00 0.00 60.65 57.22 3gdg h LYS 217 Cb 1.42 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.60 3gdg h LYS 217 CO 0.42 0.51 -0.46 0.93 -2.81 0.00 0.00 179.45 178.04 3gdg h GLU 218 N 0.34 0.00 -0.09 1.90 3.07 -2.00 -1.67 114.58 116.14 3gdg h GLU 218 Ca 0.06 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.73 3gdg h GLU 218 Cb 0.46 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.38 3gdg h GLU 218 CO 0.03 0.46 -0.72 1.15 -1.40 0.00 0.00 179.01 178.52 3gdg h THR 219 N 0.00 1.32 0.00 1.13 2.02 -1.82 -2.39 112.91 113.18 3gdg h THR 219 Ca -0.00 -2.00 -0.02 0.00 0.77 0.00 0.00 66.41 65.16 3gdg h THR 219 Cb 0.82 2.22 -0.00 0.00 -1.74 0.00 0.00 68.15 69.44 3gdg h THR 219 CO 0.06 0.61 -0.11 1.56 0.37 0.00 0.00 175.52 178.01 3gdg h GLN 220 N 0.29 0.00 -0.22 6.66 4.20 -1.18 0.02 115.11 124.88 3gdg h GLN 220 Ca -0.07 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.45 3gdg h GLN 220 Cb 1.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.16 3gdg h GLN 220 CO 0.15 0.11 -0.63 1.96 -0.67 0.00 0.00 178.83 179.74 3gdg h GLN 221 N 0.00 0.77 -0.80 1.46 4.20 -1.24 -2.75 115.11 116.76 3gdg h GLN 221 Ca -0.00 -0.54 -0.01 0.00 0.06 0.00 0.00 58.65 58.16 3gdg h GLN 221 Cb 0.20 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 3gdg h GLN 221 CO 0.01 1.16 0.46 1.25 -0.67 0.00 0.00 178.83 181.04 3gdg h LEU 222 N 0.57 0.98 0.13 1.46 5.85 -0.51 -1.82 115.31 121.96 3gdg h LEU 222 Ca -0.01 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3gdg h LEU 222 Cb 1.23 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.02 3gdg h LEU 222 CO 0.13 0.77 -0.06 -0.50 -0.34 0.00 0.00 178.44 178.44 3gdg h TRP 223 N 1.10 -0.17 -0.95 1.25 6.55 -1.17 -3.09 115.95 119.47 3gdg h TRP 223 Ca 0.28 -0.00 0.13 0.00 0.95 0.00 0.00 58.89 60.25 3gdg h TRP 223 Cb -0.00 0.06 -0.09 0.00 -0.86 0.00 0.00 29.16 28.26 3gdg h TRP 223 CO -0.00 0.03 0.57 0.45 -1.05 0.00 0.00 178.44 178.44 3gdg h HIS 224 N -0.34 1.02 0.00 0.49 3.86 -1.31 0.95 115.15 119.82 3gdg h HIS 224 Ca -0.02 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3gdg h HIS 224 Cb 0.28 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.43 3gdg h HIS 224 CO -0.02 0.36 0.00 -1.13 0.86 0.00 0.00 177.93 178.00 3gdg n SER 225 N -4.71 0.40 -0.68 2.45 3.41 -0.70 -1.80 113.62 111.99 3gdg n SER 225 Ca 0.18 0.60 0.11 0.00 -0.26 0.00 0.00 58.87 59.50 3gdg n SER 225 Cb 0.39 -0.68 0.04 0.00 -0.26 0.00 0.00 64.21 63.69 3gdg n SER 225 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3gdg n MET 226 N -1.94 1.66 -3.57 4.33 2.00 0.30 -4.80 117.12 115.10 3gdg n MET 226 Ca 0.03 -1.37 -0.41 0.00 0.00 0.00 0.00 57.70 55.95 3gdg n MET 226 Cb 0.21 -1.47 -0.10 0.00 0.00 0.00 0.00 33.22 31.86 3gdg n MET 226 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3gdg s ILE 227 N -2.27 4.54 0.30 2.02 1.01 -0.75 -4.53 121.20 121.53 3gdg s ILE 227 Ca 0.22 -1.08 0.04 0.00 0.00 0.00 0.00 60.65 59.83 3gdg s ILE 227 Cb 0.19 -3.64 0.34 0.00 0.01 0.00 0.00 42.46 39.36 3gdg s ILE 227 CO 0.46 -0.38 1.62 -0.65 0.00 0.00 0.00 174.94 175.99 3gdg h PRO 228 N 8.47 0.13 0.00 2.79 0.11 -1.79 2.39 132.00 144.10 3gdg h PRO 228 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3gdg h PRO 228 Cb 1.10 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3gdg h PRO 228 CO 0.73 0.09 0.00 1.98 -0.21 0.00 0.00 178.00 180.58 3gdg h MET 229 N 0.13 0.00 -2.49 1.05 4.05 -1.80 -3.46 114.93 112.41 3gdg h MET 229 Ca 0.59 0.00 -0.30 0.00 -0.28 0.00 0.00 59.70 59.71 3gdg h MET 229 Cb 1.25 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.05 3gdg h MET 229 CO -0.74 0.00 -0.40 0.41 0.23 0.00 0.00 176.91 176.41 3gdg n GLY 230 N -0.39 -0.24 3.55 1.39 0.00 0.80 -5.00 105.19 105.30 3gdg n GLY 230 Ca 0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 3gdg n GLY 230 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gdg s ARG 231 N -4.92 1.42 0.62 1.61 1.70 -1.26 -4.93 118.95 113.18 3gdg s ARG 231 Ca 0.06 -0.76 -0.10 0.00 -0.47 0.00 0.00 55.73 54.46 3gdg s ARG 231 Cb -0.03 0.56 -0.02 0.00 -0.57 0.00 0.00 34.95 34.89 3gdg s ARG 231 CO 0.07 -0.62 1.00 -0.51 -1.08 0.00 0.00 175.30 174.17 3gdg s ASP 232 N -2.84 5.99 0.60 -2.89 1.01 -1.26 -4.96 116.67 112.31 3gdg s ASP 232 Ca 0.07 1.23 -0.00 0.00 0.71 0.00 0.00 52.55 54.55 3gdg s ASP 232 Cb -0.02 -2.25 0.05 0.00 1.01 0.00 0.00 42.92 41.71 3gdg s ASP 232 CO -0.04 -0.96 0.84 -0.83 0.21 0.00 0.00 175.17 174.38 3gdg s GLY 233 N -4.22 1.80 0.28 0.21 0.00 0.09 -4.86 107.32 100.62 3gdg s GLY 233 Ca 0.55 -1.30 0.10 0.00 0.00 0.00 0.00 44.72 44.07 3gdg s GLY 233 CO 0.52 -0.97 -0.08 1.08 0.00 0.00 0.00 173.10 173.65 3gdg s LEU 234 N -4.89 2.93 0.24 0.66 1.43 -1.26 -1.05 118.68 116.75 3gdg s LEU 234 Ca 0.59 -0.85 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 3gdg s LEU 234 Cb -0.10 -1.42 0.28 0.00 0.03 0.00 0.00 46.19 44.98 3gdg s LEU 234 CO 0.40 -0.02 1.60 0.00 0.23 0.00 0.00 176.35 178.56 3gdg h ALA 235 N 2.02 0.90 0.00 4.21 0.00 -1.81 -2.76 119.26 121.83 3gdg h ALA 235 Ca -0.42 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.02 3gdg h ALA 235 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3gdg h ALA 235 CO 0.61 0.66 0.00 1.57 0.00 0.00 0.00 179.25 182.09 3gdg h LYS 236 N 0.30 0.00 -0.01 0.00 2.10 -1.90 0.38 116.57 117.45 3gdg h LYS 236 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 3gdg h LYS 236 Cb 0.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 3gdg h LYS 236 CO 0.08 0.00 -0.04 0.39 -2.00 0.00 0.00 179.45 177.88 3gdg n GLU 237 N -2.87 1.15 -0.00 0.07 1.02 -1.04 -3.42 120.64 115.54 3gdg n GLU 237 Ca -0.02 -0.45 0.08 0.00 -0.02 0.00 0.00 57.16 56.76 3gdg n GLU 237 Cb 0.09 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 29.90 3gdg n GLU 237 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gdg n LEU 238 N -0.54 0.29 -0.33 -4.62 4.77 0.13 -4.62 117.00 112.09 3gdg n LEU 238 Ca 0.19 -0.18 -0.03 0.00 -0.03 0.00 0.00 56.01 55.96 3gdg n LEU 238 Cb 0.26 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.47 3gdg n LEU 238 CO 0.19 0.07 1.21 0.07 -1.33 0.00 0.00 177.39 177.61 3gdg h LYS 239 N 0.00 1.23 -0.97 3.23 2.10 -1.56 -2.41 116.57 118.20 3gdg h LYS 239 Ca 0.00 -0.12 0.07 0.00 -2.00 0.00 0.00 60.65 58.60 3gdg h LYS 239 Cb 0.64 -0.25 -0.07 0.00 -0.90 0.00 0.00 32.23 31.65 3gdg h LYS 239 CO 0.00 0.87 0.63 0.78 -2.00 0.00 0.00 179.45 179.73 3gdg h GLY 240 N 1.26 1.46 1.25 0.07 0.00 -1.82 -0.74 103.07 104.55 3gdg h GLY 240 Ca 0.32 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 3gdg h GLY 240 CO -0.06 0.31 -0.18 0.00 0.00 0.00 0.00 176.54 176.61 3gdg h ALA 241 N 1.48 0.84 -0.28 3.60 0.00 -1.73 0.26 119.26 123.43 3gdg h ALA 241 Ca 0.42 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3gdg h ALA 241 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3gdg h ALA 241 CO -0.17 0.64 -0.09 1.88 0.00 0.00 0.00 179.25 181.51 3gdg h TYR 242 N 0.76 0.63 -0.29 0.00 -1.99 -1.14 -2.15 116.97 112.80 3gdg h TYR 242 Ca 0.11 -0.14 -0.12 0.00 2.00 0.00 0.00 58.73 60.58 3gdg h TYR 242 Cb 0.71 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 39.28 3gdg h TYR 242 CO 0.04 0.77 -0.31 0.28 -0.00 0.00 0.00 178.16 178.94 3gdg h VAL 243 N 0.30 1.28 0.16 -2.88 2.07 -1.11 -1.73 116.25 114.34 3gdg h VAL 243 Ca 0.07 -1.43 0.02 0.00 0.82 0.00 0.00 66.70 66.17 3gdg h VAL 243 Cb 0.59 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 3gdg h VAL 243 CO 0.03 0.46 -0.42 0.22 0.02 0.00 0.00 177.57 177.88 3gdg h TYR 244 N 0.52 -1.17 0.00 1.57 3.20 -0.11 -1.66 116.97 119.32 3gdg h TYR 244 Ca 0.06 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 3gdg h TYR 244 Cb 0.80 0.49 -0.00 0.00 1.54 0.00 0.00 36.73 39.55 3gdg h TYR 244 CO 0.03 -0.52 -0.16 0.74 -1.64 0.00 0.00 178.16 176.61 3gdg h PHE 245 N -0.68 0.00 0.00 -3.82 0.04 -1.37 -3.17 116.94 107.94 3gdg h PHE 245 Ca 0.01 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.66 3gdg h PHE 245 Cb 0.69 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.82 3gdg h PHE 245 CO -0.35 0.16 -0.76 0.00 -0.60 0.00 0.00 178.31 176.77 3gdg h ALA 246 N 1.84 0.64 -3.53 2.45 0.00 -0.90 -3.46 119.26 116.31 3gdg h ALA 246 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3gdg h ALA 246 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3gdg h ALA 246 CO 0.02 0.73 0.00 -1.13 0.00 0.00 0.00 179.25 178.87 3gdg n SER 247 N -3.15 0.11 -0.53 0.00 3.41 -0.66 -4.80 113.62 108.01 3gdg n SER 247 Ca -0.01 -0.53 0.11 0.00 -0.26 0.00 0.00 58.87 58.19 3gdg n SER 247 Cb 0.77 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 65.13 3gdg n SER 247 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3gdg n ASP 248 N -1.52 1.59 -0.02 4.04 9.92 -0.45 -3.74 116.55 126.37 3gdg n ASP 248 Ca 0.00 -1.67 0.16 0.00 -0.53 0.00 0.00 54.79 52.75 3gdg n ASP 248 Cb 0.00 -0.09 0.91 0.00 -0.64 0.00 0.00 41.12 41.30 3gdg n ASP 248 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3gdg n ALA 249 N 0.26 2.68 -2.66 2.24 0.00 -1.19 -3.62 120.51 118.23 3gdg n ALA 249 Ca 0.16 -0.20 -0.08 0.00 0.00 0.00 0.00 53.44 53.32 3gdg n ALA 249 Cb 0.32 -1.49 0.04 0.00 0.00 0.00 0.00 19.45 18.32 3gdg n ALA 249 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gdg n SER 250 N -0.94 2.15 0.00 0.00 3.41 -1.24 -4.95 113.62 112.04 3gdg n SER 250 Ca 0.23 -2.59 0.07 0.00 -0.26 0.00 0.00 58.87 56.32 3gdg n SER 250 Cb 0.12 -0.48 0.34 0.00 -0.26 0.00 0.00 64.21 63.93 3gdg n SER 250 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3gdg n THR 251 N -0.41 0.86 0.02 6.66 -2.24 -1.24 -2.45 114.28 115.48 3gdg n THR 251 Ca 0.14 0.21 0.01 0.00 -2.27 0.00 0.00 64.05 62.15 3gdg n THR 251 Cb 0.81 -0.95 0.02 0.00 -2.10 0.00 0.00 70.33 68.11 3gdg n THR 251 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gdg n TYR 252 N -1.45 0.05 -3.56 4.78 9.36 -1.26 -4.67 117.16 120.40 3gdg n TYR 252 Ca 0.05 -0.29 -0.41 0.00 3.32 0.00 0.00 57.90 60.56 3gdg n TYR 252 Cb 0.17 -0.03 -0.11 0.00 -0.63 0.00 0.00 39.34 38.75 3gdg n TYR 252 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 3gdg s THR 253 N -0.66 4.65 -0.10 2.97 -4.23 -1.02 -5.05 115.64 112.20 3gdg s THR 253 Ca 0.04 -0.95 -0.09 0.00 -1.18 0.00 0.00 61.69 59.50 3gdg s THR 253 Cb 0.02 -3.65 0.03 0.00 1.34 0.00 0.00 72.50 70.23 3gdg s THR 253 CO 0.03 -0.32 0.26 0.28 -0.54 0.00 0.00 174.62 174.33 3gdg s THR 254 N 1.55 -0.00 0.00 3.99 -1.32 -1.26 -4.73 115.64 113.87 3gdg s THR 254 Ca 0.03 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 3gdg s THR 254 Cb -0.20 -0.37 0.00 0.00 -1.51 0.00 0.00 72.50 70.42 3gdg s THR 254 CO 0.06 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.08 3gdg n GLY 255 N 2.94 0.59 3.96 6.08 0.00 0.23 -4.93 105.19 114.06 3gdg n GLY 255 Ca -0.13 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 3gdg n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gdg s ALA 256 N -2.00 4.12 -0.01 4.61 0.00 -1.26 -4.49 121.76 122.73 3gdg s ALA 256 Ca 0.00 -1.46 0.06 0.00 0.00 0.00 0.00 51.96 50.56 3gdg s ALA 256 Cb 0.00 -1.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 3gdg s ALA 256 CO 0.00 0.02 -0.19 0.34 0.00 0.00 0.00 175.76 175.93 3gdg s ASP 257 N -4.11 2.26 -0.23 0.00 3.68 -1.26 -1.86 116.67 115.15 3gdg s ASP 257 Ca 0.43 -0.36 0.00 0.00 2.13 0.00 0.00 52.55 54.75 3gdg s ASP 257 Cb -0.09 -0.25 0.06 0.00 -1.45 0.00 0.00 42.92 41.20 3gdg s ASP 257 CO 0.30 0.23 -0.04 -0.22 0.13 0.00 0.00 175.17 175.57 3gdg s LEU 258 N -0.50 2.43 -0.02 -1.34 2.96 -0.73 -4.99 118.68 116.49 3gdg s LEU 258 Ca 0.07 -1.17 -0.30 0.00 -0.22 0.00 0.00 54.13 52.52 3gdg s LEU 258 Cb -0.07 -1.11 -0.03 0.00 0.50 0.00 0.00 46.19 45.48 3gdg s LEU 258 CO -0.01 -0.25 1.04 -0.76 -1.32 0.00 0.00 176.35 175.05 3gdg s LEU 259 N 1.45 4.33 -0.54 -0.68 1.43 -1.26 -1.08 118.68 122.32 3gdg s LEU 259 Ca -0.04 1.70 0.05 0.00 -1.03 0.00 0.00 54.13 54.80 3gdg s LEU 259 Cb -0.19 -3.57 0.18 0.00 0.03 0.00 0.00 46.19 42.65 3gdg s LEU 259 CO -0.07 -0.37 0.44 -0.38 0.23 0.00 0.00 176.35 176.20 3gdg n ILE 260 N 4.15 0.19 -1.84 -0.59 5.41 -0.79 -4.93 119.36 120.96 3gdg n ILE 260 Ca 0.08 -4.16 0.04 0.00 1.00 0.00 0.00 62.75 59.71 3gdg n ILE 260 Cb 0.49 -1.92 0.07 0.00 -0.71 0.00 0.00 39.64 37.58 3gdg n ILE 260 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3gdg n ASP 261 N 2.26 1.09 -1.33 4.38 5.68 -1.26 0.41 116.55 127.78 3gdg n ASP 261 Ca 0.25 -2.57 -0.16 0.00 -0.50 0.00 0.00 54.79 51.81 3gdg n ASP 261 Cb 0.43 -0.33 -0.07 0.00 -1.14 0.00 0.00 41.12 40.00 3gdg n ASP 261 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gdg n GLY 262 N -0.40 1.54 1.03 6.12 0.00 -1.26 -1.62 105.19 110.59 3gdg n GLY 262 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3gdg n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gdg n GLY 263 N -0.17 0.76 0.23 -0.02 0.00 -1.26 -2.29 105.19 102.44 3gdg n GLY 263 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 3gdg n GLY 263 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3gdg h TYR 264 N 0.00 -0.51 0.00 1.61 5.03 -1.54 -0.95 116.97 120.61 3gdg h TYR 264 Ca 0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.33 3gdg h TYR 264 Cb 0.00 0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.51 3gdg h TYR 264 CO 0.00 -0.27 0.00 0.25 -1.32 0.00 0.00 178.16 176.82 3gdg n THR 265 N -5.33 1.09 -0.30 1.81 -2.24 -1.26 -2.55 114.28 105.50 3gdg n THR 265 Ca -0.04 0.43 0.01 0.00 -2.27 0.00 0.00 64.05 62.18 3gdg n THR 265 Cb 0.24 -1.36 0.20 0.00 -2.10 0.00 0.00 70.33 67.31 3gdg n THR 265 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3gdg h THR 266 N 0.00 1.16 -0.01 4.28 2.02 -1.57 -3.52 112.91 115.26 3gdg h THR 266 Ca 0.00 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.79 3gdg h THR 266 Cb 0.18 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 3gdg h THR 266 CO 0.00 0.21 0.00 0.54 0.37 0.00 0.00 175.52 176.64