#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fgo s GLU 2 N 0.00 3.21 -1.50 2.12 2.02 -1.26 -4.43 118.70 118.85 3fgo s GLU 2 Ca 0.00 -0.92 -0.13 0.00 0.02 0.00 0.00 54.97 53.94 3fgo s GLU 2 Cb 0.00 -2.83 0.07 0.00 0.10 0.00 0.00 34.13 31.47 3fgo s GLU 2 CO 0.00 0.15 1.01 0.00 0.02 0.00 0.00 175.26 176.45 3fgo n ALA 3 N -1.59 -1.27 0.19 5.21 0.00 -1.26 -4.86 120.51 116.91 3fgo n ALA 3 Ca -0.03 0.24 0.07 0.00 0.00 0.00 0.00 53.44 53.72 3fgo n ALA 3 Cb 0.58 -4.67 0.59 0.00 0.00 0.00 0.00 19.45 15.95 3fgo n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fgo h ALA 4 N 0.98 1.94 0.00 0.00 0.00 -1.95 -2.70 119.26 117.53 3fgo h ALA 4 Ca -0.58 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 3fgo h ALA 4 Cb 1.37 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3fgo h ALA 4 CO 0.65 0.05 -0.28 1.12 0.00 0.00 0.00 179.25 180.79 3fgo h HIS 5 N 0.14 0.00 0.00 0.00 2.07 -1.90 -3.04 115.15 112.42 3fgo h HIS 5 Ca 0.05 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.57 3fgo h HIS 5 Cb 0.02 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.00 3fgo h HIS 5 CO -0.00 0.28 -1.07 -1.13 -3.07 0.00 0.00 177.93 172.94 3fgo n SER 6 N -3.96 0.72 -4.78 3.10 3.41 -1.03 -1.41 113.62 109.67 3fgo n SER 6 Ca -0.02 0.22 -0.34 0.00 -0.26 0.00 0.00 58.87 58.47 3fgo n SER 6 Cb 0.35 0.61 0.00 0.00 -0.26 0.00 0.00 64.21 64.91 3fgo n SER 6 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3fgo s LYS 7 N -3.34 3.36 0.77 4.33 1.02 -1.12 -4.67 119.74 120.09 3fgo s LYS 7 Ca -0.00 1.43 -0.11 0.00 0.02 0.00 0.00 55.97 57.30 3fgo s LYS 7 Cb 0.11 -2.02 0.06 0.00 -0.52 0.00 0.00 37.83 35.46 3fgo s LYS 7 CO 0.80 -0.81 1.14 -1.54 -0.92 0.00 0.00 175.35 174.02 3fgo s SER 8 N -2.17 4.78 0.27 2.83 1.04 -1.26 -4.56 113.70 114.63 3fgo s SER 8 Ca 0.69 0.84 -0.04 0.00 0.48 0.00 0.00 55.95 57.92 3fgo s SER 8 Cb -0.20 -1.43 0.34 0.00 0.10 0.00 0.00 66.02 64.84 3fgo s SER 8 CO 0.30 -1.73 1.90 0.71 0.98 0.00 0.00 173.24 175.39 3fgo h THR 9 N -0.91 1.23 -0.21 2.02 1.35 -1.90 -2.33 112.91 112.16 3fgo h THR 9 Ca -0.46 -0.57 -0.04 0.00 -0.55 0.00 0.00 66.41 64.79 3fgo h THR 9 Cb 1.31 0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 67.86 3fgo h THR 9 CO 0.65 0.26 -0.05 1.05 -0.25 0.00 0.00 175.52 177.18 3fgo h GLU 10 N 1.11 0.32 -0.10 4.72 9.09 -1.98 -1.91 114.58 125.83 3fgo h GLU 10 Ca 0.28 -0.06 -0.17 0.00 0.05 0.00 0.00 59.36 59.46 3fgo h GLU 10 Cb 0.02 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.06 3fgo h GLU 10 CO -0.05 0.39 -0.66 0.93 0.05 0.00 0.00 179.01 179.67 3fgo h GLU 11 N 0.31 0.41 -0.38 1.06 5.08 -1.80 -0.10 114.58 119.15 3fgo h GLU 11 Ca 0.07 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.08 3fgo h GLU 11 Cb 0.29 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3fgo h GLU 11 CO 0.01 0.92 0.05 0.00 -1.00 0.00 0.00 179.01 179.00 3fgo h LEU 13 N 0.48 0.73 -1.23 0.00 3.38 -1.22 -2.71 115.31 114.75 3fgo h LEU 13 Ca 0.11 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 3fgo h LEU 13 Cb 0.39 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3fgo h LEU 13 CO 0.01 0.87 -0.25 0.00 0.09 0.00 0.00 178.44 179.16 3fgo h ALA 14 N 0.89 1.07 -0.55 1.53 0.00 -0.98 -0.10 119.26 121.12 3fgo h ALA 14 Ca 0.12 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3fgo h ALA 14 Cb 0.50 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3fgo h ALA 14 CO 0.02 0.31 -0.09 -0.92 0.00 0.00 0.00 179.25 178.57 3fgo h TYR 15 N 0.00 1.15 -0.01 0.00 5.03 -0.80 -2.74 116.97 119.60 3fgo h TYR 15 Ca -0.00 -0.23 0.00 0.00 2.58 0.00 0.00 58.73 61.07 3fgo h TYR 15 Cb 0.70 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.70 3fgo h TYR 15 CO 0.00 1.06 -0.44 1.19 -1.32 0.00 0.00 178.16 178.65 3fgo n PHE 16 N -4.16 0.00 -3.57 -3.82 3.01 -1.10 -4.96 117.46 102.86 3fgo n PHE 16 Ca 0.02 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.26 3fgo n PHE 16 Cb 0.39 -0.10 0.05 0.00 -0.01 0.00 0.00 39.48 39.82 3fgo n PHE 16 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3fgo n GLY 17 N 1.41 -0.60 3.21 1.37 0.00 -0.10 -5.02 105.19 105.46 3fgo n GLY 17 Ca 0.09 0.27 -0.19 0.00 0.00 0.00 0.00 46.02 46.20 3fgo n GLY 17 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fgo s VAL 18 N -3.54 1.25 0.03 1.61 -7.23 -0.91 -5.03 120.40 106.57 3fgo s VAL 18 Ca 0.18 -1.51 -0.17 0.00 -1.81 0.00 0.00 61.98 58.67 3fgo s VAL 18 Cb -0.04 -1.31 -0.06 0.00 0.56 0.00 0.00 36.38 35.52 3fgo s VAL 18 CO 0.80 -0.30 0.48 -0.55 -0.31 0.00 0.00 175.10 175.21 3fgo s SER 19 N -2.07 6.92 0.55 4.85 0.15 -1.26 -4.65 113.70 118.19 3fgo s SER 19 Ca 0.03 1.09 0.30 0.00 0.70 0.00 0.00 55.95 58.08 3fgo s SER 19 Cb -0.08 -2.30 1.60 0.00 -1.71 0.00 0.00 66.02 63.53 3fgo s SER 19 CO 0.03 0.30 2.12 -0.08 1.20 0.00 0.00 173.24 176.81 3fgo h GLU 20 N 4.62 0.00 -0.63 5.44 4.81 -1.97 -0.59 114.58 126.25 3fgo h GLU 20 Ca -0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3fgo h GLU 20 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3fgo h GLU 20 CO 0.62 0.08 0.00 0.25 -0.73 0.00 0.00 179.01 179.23 3fgo n THR 21 N -3.54 2.21 0.05 0.32 -2.24 -1.26 -4.54 114.28 105.28 3fgo n THR 21 Ca -0.02 -1.28 0.00 0.00 -2.27 0.00 0.00 64.05 60.48 3fgo n THR 21 Cb 0.21 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 3fgo n THR 21 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3fgo n THR 22 N 0.97 0.17 0.00 4.28 -1.04 -0.89 -5.03 114.28 112.74 3fgo n THR 22 Ca 0.27 0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.34 3fgo n THR 22 Cb 1.02 -0.84 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 3fgo n THR 22 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fgo n GLY 23 N 2.07 -0.86 3.70 3.41 0.00 -0.28 -1.85 105.19 111.38 3fgo n GLY 23 Ca 0.00 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 3fgo n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fgo n LEU 24 N -1.09 5.22 -4.86 0.99 4.77 -1.26 -3.82 117.00 116.95 3fgo n LEU 24 Ca 0.00 0.76 -0.31 0.00 -0.03 0.00 0.00 56.01 56.42 3fgo n LEU 24 Cb 0.00 -1.51 -0.01 0.00 -2.33 0.00 0.00 43.42 39.56 3fgo n LEU 24 CO 0.00 -1.34 0.67 0.42 -1.33 0.00 0.00 177.39 175.81 3fgo s THR 25 N -1.60 4.64 0.47 -5.08 -4.23 -1.26 0.00 115.64 108.58 3fgo s THR 25 Ca 0.79 0.99 0.14 0.00 -1.18 0.00 0.00 61.69 62.44 3fgo s THR 25 Cb -0.36 -3.79 0.21 0.00 1.34 0.00 0.00 72.50 69.90 3fgo s THR 25 CO 0.44 -0.87 2.04 -0.65 -0.54 0.00 0.00 174.62 175.04 3fgo h PRO 26 N 0.40 0.03 0.10 3.99 0.11 -1.96 -0.72 132.00 133.95 3fgo h PRO 26 Ca -0.46 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3fgo h PRO 26 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3fgo h PRO 26 CO 0.62 0.14 -0.05 -0.44 -0.21 0.00 0.00 178.00 178.06 3fgo h ASP 27 N 0.03 -0.11 -0.57 -2.05 5.19 -1.99 -1.59 116.42 115.32 3fgo h ASP 27 Ca 0.01 -0.21 0.12 0.00 -0.62 0.00 0.00 57.03 56.32 3fgo h ASP 27 Cb 0.21 0.03 -0.10 0.00 0.18 0.00 0.00 39.33 39.66 3fgo h ASP 27 CO 0.01 0.15 -0.01 1.56 -3.12 0.00 0.00 179.24 177.84 3fgo h GLN 28 N -0.38 0.10 -0.78 3.56 4.20 -1.77 1.00 115.11 121.05 3fgo h GLN 28 Ca -0.01 -0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.81 3fgo h GLN 28 Cb 0.32 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.00 3fgo h GLN 28 CO 0.02 0.07 0.39 0.28 -0.67 0.00 0.00 178.83 178.92 3fgo h VAL 29 N 0.11 0.80 -0.42 -0.54 2.07 -1.00 0.39 116.25 117.65 3fgo h VAL 29 Ca 0.29 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 3fgo h VAL 29 Cb 0.46 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3fgo h VAL 29 CO -0.49 0.11 0.22 0.50 0.02 0.00 0.00 177.57 177.93 3fgo h LYS 30 N 0.62 0.60 -0.54 1.57 3.64 0.13 0.86 116.57 123.44 3fgo h LYS 30 Ca 0.40 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.63 3fgo h LYS 30 Cb 0.48 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3fgo h LYS 30 CO -0.31 0.50 0.06 -0.09 -2.27 0.00 0.00 179.45 177.34 3fgo h ARG 31 N 0.55 0.91 -0.16 1.90 9.65 0.32 -1.90 114.38 125.66 3fgo h ARG 31 Ca 0.15 -0.26 -0.08 0.00 -1.10 0.00 0.00 59.98 58.69 3fgo h ARG 31 Cb 0.09 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 3fgo h ARG 31 CO -0.02 0.90 -0.24 0.45 2.80 0.00 0.00 179.97 183.86 3fgo h HIS 32 N 0.80 0.31 -0.51 2.20 3.86 0.01 0.49 115.15 122.30 3fgo h HIS 32 Ca 0.16 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.26 3fgo h HIS 32 Cb 0.45 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 3fgo h HIS 32 CO 0.03 0.51 0.10 1.25 0.86 0.00 0.00 177.93 180.68 3fgo h LEU 33 N 0.25 0.80 0.18 2.43 5.85 -0.56 0.46 115.31 124.72 3fgo h LEU 33 Ca 0.04 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.52 3fgo h LEU 33 Cb 0.57 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3fgo h LEU 33 CO 0.04 0.84 -0.24 -0.33 -0.34 0.00 0.00 178.44 178.42 3fgo h GLU 34 N 0.72 -0.45 -0.40 1.25 5.08 -0.94 0.30 114.58 120.13 3fgo h GLU 34 Ca 0.16 0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.40 3fgo h GLU 34 Cb 0.38 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3fgo h GLU 34 CO 0.01 -0.30 -0.34 -0.22 -1.00 0.00 0.00 179.01 177.15 3fgo h LYS 35 N -0.47 0.93 0.00 2.33 3.64 -0.62 -3.33 116.57 119.05 3fgo h LYS 35 Ca 0.01 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3fgo h LYS 35 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3fgo h LYS 35 CO -0.09 1.12 -0.51 0.66 -2.27 0.00 0.00 179.45 178.36 3fgo n TYR 36 N -4.07 0.00 -0.37 1.91 4.02 0.16 -5.08 117.16 113.73 3fgo n TYR 36 Ca -0.02 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.92 3fgo n TYR 36 Cb 0.52 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.82 3fgo n TYR 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fgo n GLY 37 N 1.26 -1.82 3.75 2.72 0.00 0.10 -4.92 105.19 106.29 3fgo n GLY 37 Ca 0.02 -1.42 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 3fgo n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fgo s HIS 38 N -1.89 2.40 -1.26 1.61 3.76 -1.26 -4.72 115.29 113.93 3fgo s HIS 38 Ca 0.00 1.59 -0.15 0.00 -0.15 0.00 0.00 55.06 56.36 3fgo s HIS 38 Cb 0.00 -3.17 0.13 0.00 1.11 0.00 0.00 32.58 30.65 3fgo s HIS 38 CO 0.00 -1.99 1.61 -1.71 -0.85 0.00 0.00 174.74 171.80 3fgo n ASN 39 N -3.22 5.05 -3.44 1.40 5.15 0.13 -4.31 115.26 116.02 3fgo n ASN 39 Ca 0.10 -2.96 -0.13 0.00 -0.60 0.00 0.00 54.58 50.99 3fgo n ASN 39 Cb 0.52 -1.63 -0.03 0.00 -0.53 0.00 0.00 39.78 38.12 3fgo n ASN 39 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3fgo s GLU 40 N 2.45 1.24 -0.01 1.20 -1.05 -1.26 -3.85 118.70 117.41 3fgo s GLU 40 Ca 0.47 -0.37 -0.16 0.00 -0.15 0.00 0.00 54.97 54.76 3fgo s GLU 40 Cb 0.01 0.57 -0.06 0.00 -0.44 0.00 0.00 34.13 34.22 3fgo s GLU 40 CO 0.02 -0.52 0.43 -0.51 0.95 0.00 0.00 175.26 175.64 3fgo s LEU 41 N -2.52 4.46 0.31 1.83 1.43 -1.26 -4.29 118.68 118.64 3fgo s LEU 41 Ca -0.01 0.98 -0.29 0.00 -1.03 0.00 0.00 54.13 53.78 3fgo s LEU 41 Cb -0.01 -2.63 -0.10 0.00 0.03 0.00 0.00 46.19 43.47 3fgo s LEU 41 CO -0.10 0.28 1.40 -2.84 0.23 0.00 0.00 176.35 175.32 3fgo s PRO 42 N -0.87 4.27 0.45 1.29 0.02 -1.26 -4.99 135.00 133.91 3fgo s PRO 42 Ca 0.24 2.33 -0.23 0.00 0.02 0.00 0.00 61.00 63.36 3fgo s PRO 42 Cb -0.17 -3.06 -0.08 0.00 0.02 0.00 0.00 34.50 31.21 3fgo s PRO 42 CO 0.14 -0.35 1.16 0.00 -0.33 0.00 0.00 177.00 177.61 3fgo s ALA 43 N -0.69 2.99 -0.25 -1.55 0.00 -1.26 -5.04 121.76 115.97 3fgo s ALA 43 Ca 0.54 0.92 -0.02 0.00 0.00 0.00 0.00 51.96 53.39 3fgo s ALA 43 Cb -0.42 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.35 3fgo s ALA 43 CO 0.51 -0.61 -0.05 -2.00 0.00 0.00 0.00 175.76 173.61 3fgo s GLU 44 N -2.66 2.87 0.00 0.00 2.12 -1.26 -5.11 118.70 114.66 3fgo s GLU 44 Ca 0.63 -0.96 0.00 0.00 0.36 0.00 0.00 54.97 55.00 3fgo s GLU 44 Cb -0.28 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.09 3fgo s GLU 44 CO 0.34 -0.40 0.00 -0.85 -0.54 0.00 0.00 175.26 173.82 3fgo n GLU 45 N 4.69 2.94 0.00 4.30 -0.00 -1.26 -4.96 120.64 126.36 3fgo n GLU 45 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.00 3fgo n GLU 45 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.91 3fgo n GLU 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3fgo n GLY 46 N 1.70 0.00 1.82 -1.84 0.00 -1.26 -5.12 105.19 100.48 3fgo n GLY 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3fgo n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fgo n LYS 47 N 0.00 -5.17 -1.72 1.61 5.02 -1.26 -4.91 118.16 111.72 3fgo n LYS 47 Ca 0.00 3.80 -0.32 0.00 -2.02 0.00 0.00 58.31 59.78 3fgo n LYS 47 Cb 0.00 -4.24 0.04 0.00 -0.02 0.00 0.00 35.03 30.81 3fgo n LYS 47 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3fgo s SER 48 N -2.93 5.43 0.63 4.39 1.04 -1.26 -4.88 113.70 116.11 3fgo s SER 48 Ca 0.00 1.72 0.27 0.00 0.48 0.00 0.00 55.95 58.42 3fgo s SER 48 Cb 0.00 -2.51 1.41 0.00 0.10 0.00 0.00 66.02 65.01 3fgo s SER 48 CO 0.00 -1.41 1.81 0.17 0.98 0.00 0.00 173.24 174.79 3fgo h LEU 49 N -0.31 0.00 0.08 2.42 8.10 -2.00 -0.37 115.31 123.22 3fgo h LEU 49 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.54 3fgo h LEU 49 Cb 1.22 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.43 3fgo h LEU 49 CO 0.56 0.00 -0.08 -0.25 -4.11 0.00 0.00 178.44 174.56 3fgo h TRP 50 N 0.00 -0.23 0.00 0.17 2.91 -2.01 -2.33 115.95 114.46 3fgo h TRP 50 Ca 0.13 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.15 3fgo h TRP 50 Cb 1.12 0.09 0.00 0.00 -0.51 0.00 0.00 29.16 29.86 3fgo h TRP 50 CO 0.00 -0.11 0.00 0.39 -1.03 0.00 0.00 178.44 177.69 3fgo n GLU 51 N -2.80 0.22 -0.08 2.65 1.02 -0.18 -2.14 120.64 119.33 3fgo n GLU 51 Ca -0.02 0.09 -0.10 0.00 -0.02 0.00 0.00 57.16 57.11 3fgo n GLU 51 Cb 0.08 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.95 3fgo n GLU 51 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3fgo h LEU 52 N 0.00 0.00 -0.52 -4.62 3.38 -1.21 -3.23 115.31 109.10 3fgo h LEU 52 Ca 0.00 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 57.85 3fgo h LEU 52 Cb 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 3fgo h LEU 52 CO 0.00 0.98 0.20 0.58 0.09 0.00 0.00 178.44 180.29 3fgo h VAL 53 N -1.00 0.85 -0.93 1.22 2.07 -1.31 0.43 116.25 117.57 3fgo h VAL 53 Ca -0.11 -0.14 0.25 0.00 0.82 0.00 0.00 66.70 67.52 3fgo h VAL 53 Cb 0.74 0.42 -0.13 0.00 -1.52 0.00 0.00 31.29 30.79 3fgo h VAL 53 CO -0.07 0.07 0.43 0.40 0.02 0.00 0.00 177.57 178.42 3fgo h ILE 54 N 0.39 0.41 0.00 4.57 5.03 -1.62 0.14 117.51 126.43 3fgo h ILE 54 Ca 0.25 -0.13 0.00 0.00 -0.12 0.00 0.00 64.86 64.86 3fgo h ILE 54 Cb 0.25 0.01 0.00 0.00 -3.03 0.00 0.00 36.82 34.05 3fgo h ILE 54 CO -0.24 0.07 0.00 -0.62 -0.68 0.00 0.00 178.15 176.68 3fgo n GLU 55 N -5.06 0.13 0.08 2.37 1.02 0.09 -2.27 120.64 116.99 3fgo n GLU 55 Ca 0.25 0.19 -0.10 0.00 -0.02 0.00 0.00 57.16 57.48 3fgo n GLU 55 Cb 0.75 -1.67 -0.02 0.00 -0.02 0.00 0.00 31.44 30.48 3fgo n GLU 55 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3fgo h GLN 56 N 0.00 0.24 -1.17 3.49 1.08 -0.14 -3.22 115.11 115.39 3fgo h GLN 56 Ca 0.00 -0.27 -0.50 0.00 -1.45 0.00 0.00 58.65 56.43 3fgo h GLN 56 Cb 0.52 0.08 -0.23 0.00 -0.05 0.00 0.00 27.48 27.80 3fgo h GLN 56 CO 0.00 0.99 0.64 1.19 -0.95 0.00 0.00 178.83 180.70 3fgo n PHE 57 N -3.68 2.49 -0.00 2.96 3.72 -0.96 -4.25 117.46 117.73 3fgo n PHE 57 Ca -0.04 -2.34 -0.01 0.00 -0.05 0.00 0.00 57.45 55.01 3fgo n PHE 57 Cb 0.81 -1.14 -0.00 0.00 -0.94 0.00 0.00 39.48 38.21 3fgo n PHE 57 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3fgo n GLU 58 N -0.47 0.02 -1.68 -1.08 1.02 -1.21 -4.86 120.64 112.38 3fgo n GLU 58 Ca 0.48 0.01 -0.45 0.00 -0.02 0.00 0.00 57.16 57.18 3fgo n GLU 58 Cb 0.81 -0.70 -0.03 0.00 -0.02 0.00 0.00 31.44 31.49 3fgo n GLU 58 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3fgo n ASP 59 N -2.86 3.07 -0.12 1.62 3.85 -1.26 -4.82 116.55 116.03 3fgo n ASP 59 Ca -0.02 1.11 -0.03 0.00 -0.71 0.00 0.00 54.79 55.14 3fgo n ASP 59 Cb 0.51 -1.44 -0.03 0.00 -1.35 0.00 0.00 41.12 38.81 3fgo n ASP 59 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 3fgo n LEU 60 N 2.94 -0.30 -0.33 -2.12 7.94 -1.26 -1.80 117.00 122.08 3fgo n LEU 60 Ca 0.15 1.12 0.01 0.00 -1.11 0.00 0.00 56.01 56.18 3fgo n LEU 60 Cb 0.30 -0.38 0.06 0.00 0.53 0.00 0.00 43.42 43.94 3fgo n LEU 60 CO 0.63 -0.72 0.53 -0.11 -1.11 0.00 0.00 177.39 176.62 3fgo n LEU 61 N -3.59 -0.48 -0.08 -1.96 -0.00 -1.26 0.67 117.00 110.29 3fgo n LEU 61 Ca 0.01 1.51 0.17 0.00 -0.00 0.00 0.00 56.01 57.70 3fgo n LEU 61 Cb 0.07 -0.38 0.58 0.00 -0.00 0.00 0.00 43.42 43.69 3fgo n LEU 61 CO -0.04 -1.39 1.20 0.58 -0.00 0.00 0.00 177.39 177.73 3fgo h VAL 62 N 0.00 0.78 -0.62 1.96 2.07 -1.69 0.08 116.25 118.84 3fgo h VAL 62 Ca 0.34 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.71 3fgo h VAL 62 Cb 0.56 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3fgo h VAL 62 CO -0.87 0.04 0.10 0.03 0.02 0.00 0.00 177.57 176.89 3fgo h ARG 63 N 0.24 1.02 -0.95 1.57 3.08 0.20 -2.66 114.38 116.88 3fgo h ARG 63 Ca 0.31 -0.27 0.21 0.00 0.07 0.00 0.00 59.98 60.29 3fgo h ARG 63 Cb 0.88 -0.12 -0.11 0.00 0.08 0.00 0.00 29.97 30.69 3fgo h ARG 63 CO -0.06 0.95 0.53 0.82 -1.07 0.00 0.00 179.97 181.13 3fgo h ILE 64 N 0.93 0.61 -0.02 2.04 1.08 -0.85 0.60 117.51 121.88 3fgo h ILE 64 Ca 0.19 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 3fgo h ILE 64 Cb 0.42 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.12 3fgo h ILE 64 CO 0.01 0.11 0.00 -0.11 -0.69 0.00 0.00 178.15 177.47 3fgo n LEU 65 N -4.88 1.17 -0.07 1.44 7.94 -1.05 -2.31 117.00 119.23 3fgo n LEU 65 Ca 0.23 -0.40 -0.21 0.00 -1.11 0.00 0.00 56.01 54.52 3fgo n LEU 65 Cb 0.62 -0.01 -0.13 0.00 0.53 0.00 0.00 43.42 44.43 3fgo n LEU 65 CO 0.18 0.20 -1.04 -0.11 -1.11 0.00 0.00 177.39 175.51 3fgo n LEU 66 N -0.08 2.65 0.02 -1.96 7.94 0.13 -3.81 117.00 121.89 3fgo n LEU 66 Ca 0.20 0.10 -0.13 0.00 -1.11 0.00 0.00 56.01 55.07 3fgo n LEU 66 Cb 0.30 -1.01 -0.09 0.00 0.53 0.00 0.00 43.42 43.15 3fgo n LEU 66 CO 0.16 0.82 0.51 0.25 -1.11 0.00 0.00 177.39 178.02 3fgo h LEU 67 N -0.13 -1.45 -0.92 -1.96 5.85 -0.05 0.27 115.31 116.92 3fgo h LEU 67 Ca -0.50 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3fgo h LEU 67 Cb 1.89 0.56 0.00 0.00 0.37 0.00 0.00 40.66 43.48 3fgo h LEU 67 CO -0.04 -0.44 0.00 0.00 -0.34 0.00 0.00 178.44 177.62 3fgo n ALA 68 N -2.92 1.72 -0.02 1.25 0.00 -0.98 -0.42 120.51 119.14 3fgo n ALA 68 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 3fgo n ALA 68 Cb 0.33 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 3fgo n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fgo n ALA 69 N 0.21 1.90 0.00 0.00 0.00 0.70 -3.97 120.51 119.35 3fgo n ALA 69 Ca 0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 53.44 53.04 3fgo n ALA 69 Cb 0.11 0.33 -0.13 0.00 0.00 0.00 0.00 19.45 19.76 3fgo n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fgo h ILE 71 N -0.42 1.02 -0.32 0.00 2.04 -0.98 0.73 117.51 119.59 3fgo h ILE 71 Ca -0.08 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3fgo h ILE 71 Cb 1.32 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 3fgo h ILE 71 CO 0.10 0.09 0.15 -1.28 0.00 0.00 0.00 178.15 177.20 3fgo h SER 72 N 0.49 0.39 -0.22 1.72 0.87 -1.69 -0.42 113.55 114.70 3fgo h SER 72 Ca 0.17 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 3fgo h SER 72 Cb 0.03 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 3fgo h SER 72 CO -0.09 0.35 0.01 0.15 -0.53 0.00 0.00 176.83 176.71 3fgo h PHE 73 N 0.45 0.41 0.16 2.24 3.04 0.33 -3.00 116.94 120.57 3fgo h PHE 73 Ca 0.11 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 3fgo h PHE 73 Cb 0.06 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.47 3fgo h PHE 73 CO 0.00 0.55 -0.08 0.28 -2.02 0.00 0.00 178.31 177.05 3fgo h VAL 74 N 0.15 0.98 0.00 1.41 2.07 -0.63 -2.05 116.25 118.18 3fgo h VAL 74 Ca 0.06 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.85 3fgo h VAL 74 Cb 0.38 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3fgo h VAL 74 CO 0.01 0.17 0.00 0.18 0.02 0.00 0.00 177.57 177.95 3fgo n LEU 75 N -5.02 1.79 0.00 2.57 4.32 -0.19 -0.72 117.00 119.75 3fgo n LEU 75 Ca -0.09 -0.90 0.00 0.00 -0.02 0.00 0.00 56.01 55.01 3fgo n LEU 75 Cb 0.23 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 41.73 3fgo n LEU 75 CO 0.32 0.30 0.00 0.00 -1.22 0.00 0.00 177.39 176.79 3fgo n ALA 76 N 0.69 0.00 -0.04 -1.18 0.00 -1.13 -4.86 120.51 113.99 3fgo n ALA 76 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3fgo n ALA 76 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.74 3fgo n ALA 76 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3fgo h TRP 77 N 0.00 0.00 0.00 0.00 2.91 -0.18 -3.37 115.95 115.31 3fgo h TRP 77 Ca 0.00 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.02 3fgo h TRP 77 Cb 0.00 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.65 3fgo h TRP 77 CO 0.00 0.00 0.00 1.19 -1.03 0.00 0.00 178.44 178.60 3fgo n PHE 78 N -3.77 0.00 -2.71 2.65 3.01 -1.04 -4.82 117.46 110.78 3fgo n PHE 78 Ca -0.03 -0.56 -0.41 0.00 1.01 0.00 0.00 57.45 57.46 3fgo n PHE 78 Cb 0.11 -0.40 -0.05 0.00 -0.01 0.00 0.00 39.48 39.14 3fgo n PHE 78 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3fgo s GLU 79 N 0.90 4.73 1.12 -1.08 2.56 -1.26 -5.02 118.70 120.65 3fgo s GLU 79 Ca 0.00 1.49 -0.19 0.00 0.00 0.00 0.00 54.97 56.27 3fgo s GLU 79 Cb 0.00 -3.34 0.11 0.00 2.00 0.00 0.00 34.13 32.90 3fgo s GLU 79 CO 0.00 0.27 -0.00 -1.91 -0.56 0.00 0.00 175.26 173.06 3fgo n GLU 80 N 2.44 -1.69 0.00 4.30 4.07 -1.26 -4.72 120.64 123.78 3fgo n GLU 80 Ca 0.01 -0.48 0.01 0.00 -0.06 0.00 0.00 57.16 56.64 3fgo n GLU 80 Cb 0.48 -1.68 0.04 0.00 -0.06 0.00 0.00 31.44 30.22 3fgo n GLU 80 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3fgo n GLY 81 N 2.07 -0.06 0.00 8.31 0.00 -1.26 -4.17 105.19 110.08 3fgo n GLY 81 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3fgo n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fgo n GLU 82 N -0.89 0.00 -3.06 1.61 1.02 -1.26 -4.73 120.64 113.33 3fgo n GLU 82 Ca 0.01 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.71 3fgo n GLU 82 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 3fgo n GLU 82 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3fgo n GLU 83 N 0.00 4.14 -0.06 3.49 4.71 -1.26 -4.61 120.64 127.05 3fgo n GLU 83 Ca 0.00 -4.45 0.02 0.00 -0.01 0.00 0.00 57.16 52.72 3fgo n GLU 83 Cb 0.00 -2.56 0.05 0.00 -1.01 0.00 0.00 31.44 27.92 3fgo n GLU 83 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3fgo n THR 84 N 1.91 0.16 -0.00 2.62 -2.24 -1.26 -3.58 114.28 111.89 3fgo n THR 84 Ca 0.27 -0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.77 3fgo n THR 84 Cb 0.35 0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.52 3fgo n THR 84 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3fgo h ILE 85 N 0.63 1.34 0.00 2.28 2.10 -1.95 -3.39 117.51 118.53 3fgo h ILE 85 Ca 0.00 -1.17 -0.03 0.00 1.08 0.00 0.00 64.86 64.74 3fgo h ILE 85 Cb 0.19 2.12 -0.06 0.00 -1.09 0.00 0.00 36.82 37.98 3fgo h ILE 85 CO 0.01 0.30 -0.41 0.35 -1.08 0.00 0.00 178.15 177.31 3fgo n THR 86 N -4.86 1.04 0.26 2.19 -2.24 -1.26 -4.71 114.28 104.70 3fgo n THR 86 Ca -0.09 -1.50 0.16 0.00 -2.27 0.00 0.00 64.05 60.35 3fgo n THR 86 Cb 0.26 0.20 0.56 0.00 -2.10 0.00 0.00 70.33 69.25 3fgo n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fgo h ALA 87 N 0.33 1.00 -0.02 6.98 0.00 -1.75 -2.99 119.26 122.81 3fgo h ALA 87 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3fgo h ALA 87 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3fgo h ALA 87 CO 0.02 0.01 -0.05 1.19 0.00 0.00 0.00 179.25 180.41 3fgo n PHE 88 N -3.10 0.00 0.19 0.00 3.01 -1.26 -3.85 117.46 112.45 3fgo n PHE 88 Ca 0.01 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.53 3fgo n PHE 88 Cb 0.36 -0.02 0.31 0.00 -0.01 0.00 0.00 39.48 40.12 3fgo n PHE 88 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3fgo h VAL 89 N 2.38 0.81 0.36 -4.37 2.07 -1.87 -3.09 116.25 112.53 3fgo h VAL 89 Ca 0.00 -1.55 -0.02 0.00 0.82 0.00 0.00 66.70 65.95 3fgo h VAL 89 Cb 0.55 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 3fgo h VAL 89 CO 0.00 0.36 -0.17 -0.08 0.02 0.00 0.00 177.57 177.70 3fgo h GLU 90 N 0.00 -0.47 0.00 1.57 4.81 -1.77 0.47 114.58 119.20 3fgo h GLU 90 Ca -0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3fgo h GLU 90 Cb 0.95 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3fgo h GLU 90 CO 0.05 -0.20 0.00 -2.30 -0.73 0.00 0.00 179.01 175.83 3fgo n PRO 91 N -5.11 0.38 -0.01 0.92 -0.02 -1.24 -2.00 135.00 127.93 3fgo n PRO 91 Ca -0.08 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.39 3fgo n PRO 91 Cb 0.25 -1.19 -0.01 0.00 -0.02 0.00 0.00 33.50 32.53 3fgo n PRO 91 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3fgo n PHE 92 N -0.69 0.00 -0.34 6.00 3.01 -1.17 -3.50 117.46 120.77 3fgo n PHE 92 Ca 0.04 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.48 3fgo n PHE 92 Cb 0.02 -0.07 0.14 0.00 -0.01 0.00 0.00 39.48 39.56 3fgo n PHE 92 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3fgo h VAL 93 N -0.01 1.24 0.58 -4.37 2.07 -0.72 0.54 116.25 115.58 3fgo h VAL 93 Ca -0.04 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 3fgo h VAL 93 Cb 1.06 -0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3fgo h VAL 93 CO -0.01 0.24 -0.28 0.40 0.02 0.00 0.00 177.57 177.94 3fgo h ILE 94 N 1.28 0.11 0.00 4.57 2.04 -1.63 -1.85 117.51 122.03 3fgo h ILE 94 Ca 0.35 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3fgo h ILE 94 Cb -0.14 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 3fgo h ILE 94 CO -0.07 0.02 0.17 0.25 0.00 0.00 0.00 178.15 178.51 3fgo h LEU 95 N -1.16 0.00 0.06 1.44 5.85 -1.55 -0.99 115.31 118.96 3fgo h LEU 95 Ca -0.08 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.38 3fgo h LEU 95 Cb 0.63 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3fgo h LEU 95 CO 0.13 0.00 -1.37 0.25 -0.34 0.00 0.00 178.44 177.11 3fgo h LEU 96 N 0.00 0.21 -0.50 2.25 5.85 0.15 -3.27 115.31 120.01 3fgo h LEU 96 Ca 0.00 -0.74 0.07 0.00 0.84 0.00 0.00 57.88 58.05 3fgo h LEU 96 Cb 0.34 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 3fgo h LEU 96 CO 0.00 1.57 0.17 0.40 -0.34 0.00 0.00 178.44 180.25 3fgo h ILE 97 N -0.56 0.83 -0.25 4.05 1.08 -0.32 -0.05 117.51 122.28 3fgo h ILE 97 Ca -0.32 -0.12 -0.03 0.00 -0.39 0.00 0.00 64.86 64.00 3fgo h ILE 97 Cb 1.58 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 35.76 3fgo h ILE 97 CO -0.05 0.06 0.03 -0.07 -0.69 0.00 0.00 178.15 177.43 3fgo h LEU 98 N 0.35 0.33 0.40 1.44 4.07 -1.58 0.23 115.31 120.54 3fgo h LEU 98 Ca 0.24 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.14 3fgo h LEU 98 Cb 0.26 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.92 3fgo h LEU 98 CO -0.25 0.37 -0.19 0.40 -1.08 0.00 0.00 178.44 177.69 3fgo h ILE 99 N 0.36 0.57 -0.91 1.22 2.04 -1.35 -2.88 117.51 116.56 3fgo h ILE 99 Ca 0.08 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.57 3fgo h ILE 99 Cb 0.19 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 3fgo h ILE 99 CO 0.00 0.07 0.58 0.00 0.00 0.00 0.00 178.15 178.81 3fgo h ALA 100 N -0.31 1.22 0.00 1.87 0.00 -0.34 -1.79 119.26 119.91 3fgo h ALA 100 Ca -0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3fgo h ALA 100 Cb 0.53 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3fgo h ALA 100 CO 0.09 0.40 -0.15 -0.91 0.00 0.00 0.00 179.25 178.68 3fgo h ASN 101 N 1.10 0.00 0.03 0.00 2.35 -0.62 -2.24 115.58 116.20 3fgo h ASN 101 Ca 0.38 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.12 3fgo h ASN 101 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3fgo h ASN 101 CO -0.14 0.15 -0.01 0.00 -1.65 0.00 0.00 177.43 175.78 3fgo h ALA 102 N 1.85 -0.03 -1.00 -0.83 0.00 -1.12 -0.96 119.26 117.16 3fgo h ALA 102 Ca -0.00 -0.21 0.25 0.00 0.00 0.00 0.00 54.91 54.95 3fgo h ALA 102 Cb 0.56 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.24 3fgo h ALA 102 CO 0.02 -0.04 0.60 -0.84 0.00 0.00 0.00 179.25 178.99 3fgo h ILE 103 N -0.99 0.54 -0.07 0.00 3.07 -1.36 0.29 117.51 118.98 3fgo h ILE 103 Ca -0.00 -0.20 -0.25 0.00 1.55 0.00 0.00 64.86 65.96 3fgo h ILE 103 Cb 0.43 -0.10 0.02 0.00 -0.27 0.00 0.00 36.82 36.90 3fgo h ILE 103 CO 0.01 0.11 -0.93 0.58 -1.05 0.00 0.00 178.15 176.86 3fgo h VAL 104 N 0.58 1.28 -0.94 0.16 2.07 -1.50 -2.02 116.25 115.88 3fgo h VAL 104 Ca 0.65 -2.13 0.12 0.00 0.82 0.00 0.00 66.70 66.16 3fgo h VAL 104 Cb 1.23 2.21 -0.07 0.00 -1.52 0.00 0.00 31.29 33.13 3fgo h VAL 104 CO -0.47 0.67 0.60 1.23 0.02 0.00 0.00 177.57 179.61 3fgo h GLY 105 N 0.47 1.42 1.46 2.17 0.00 0.90 -2.30 103.07 107.19 3fgo h GLY 105 Ca -0.10 -0.37 -0.29 0.00 0.00 0.00 0.00 47.33 46.57 3fgo h GLY 105 CO 0.19 0.15 -1.37 -2.08 0.00 0.00 0.00 176.54 173.43 3fgo h VAL 106 N 0.88 1.36 0.00 4.60 2.07 -0.96 -3.03 116.25 121.16 3fgo h VAL 106 Ca 0.46 -2.94 0.00 0.00 0.82 0.00 0.00 66.70 65.04 3fgo h VAL 106 Cb 0.54 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 3fgo h VAL 106 CO -0.22 0.86 0.00 1.87 0.02 0.00 0.00 177.57 180.10 3fgo n TRP 107 N -3.52 0.00 0.00 1.57 -0.00 -0.76 -1.70 117.44 113.02 3fgo n TRP 107 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.38 3fgo n TRP 107 Cb 1.04 -0.11 0.00 0.00 -0.00 0.00 0.00 31.31 32.24 3fgo n TRP 107 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3fgo n GLN 108 N -1.11 2.36 0.04 5.87 10.64 -1.15 -4.76 117.38 129.27 3fgo n GLN 108 Ca 0.07 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.35 3fgo n GLN 108 Cb 0.05 -0.91 -0.00 0.00 -0.86 0.00 0.00 30.24 28.52 3fgo n GLN 108 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 3fgo n GLU 109 N -1.51 0.41 -2.86 2.61 0.00 -1.10 -4.04 120.64 114.13 3fgo n GLU 109 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.75 3fgo n GLU 109 Cb 0.24 -1.64 -0.04 0.00 0.00 0.00 0.00 31.44 30.00 3fgo n GLU 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 3fgo s ARG 110 N -3.27 4.32 -0.52 5.31 3.52 -0.69 -5.02 118.95 122.59 3fgo s ARG 110 Ca 0.01 1.07 -0.19 0.00 -0.13 0.00 0.00 55.73 56.50 3fgo s ARG 110 Cb 0.13 -3.56 0.07 0.00 -1.56 0.00 0.00 34.95 30.03 3fgo s ARG 110 CO 0.81 -0.31 0.63 1.21 -0.81 0.00 0.00 175.30 176.83 3fgo s ASN 111 N 1.13 6.21 0.04 -2.12 2.47 -1.26 -4.98 114.94 116.43 3fgo s ASN 111 Ca 0.40 -1.07 -0.18 0.00 0.42 0.00 0.00 52.86 52.42 3fgo s ASN 111 Cb -0.17 -2.28 -0.09 0.00 -1.45 0.00 0.00 41.25 37.26 3fgo s ASN 111 CO 0.13 -0.93 1.28 0.00 -3.72 0.00 0.00 177.10 173.87 3fgo h ALA 112 N 9.02 -0.94 -2.18 1.71 0.00 -1.95 -3.43 119.26 121.49 3fgo h ALA 112 Ca -0.28 -0.09 -0.45 0.00 0.00 0.00 0.00 54.91 54.09 3fgo h ALA 112 Cb 1.09 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 3fgo h ALA 112 CO 0.99 -0.96 0.32 -1.83 0.00 0.00 0.00 179.25 177.78 3fgo s GLU 113 N -4.43 4.31 -0.15 0.00 -1.05 -1.26 -5.05 118.70 111.07 3fgo s GLU 113 Ca -0.09 1.15 -0.04 0.00 -0.15 0.00 0.00 54.97 55.84 3fgo s GLU 113 Cb 0.02 -2.36 -0.03 0.00 -0.44 0.00 0.00 34.13 31.32 3fgo s GLU 113 CO 0.30 0.07 -0.03 1.21 0.95 0.00 0.00 175.26 177.76 3fgo s ASN 114 N -2.03 4.86 0.29 0.83 3.84 -1.26 -4.99 114.94 116.47 3fgo s ASN 114 Ca 0.58 -0.10 0.21 0.00 0.21 0.00 0.00 52.86 53.76 3fgo s ASN 114 Cb -0.12 -1.75 0.12 0.00 -0.55 0.00 0.00 41.25 38.95 3fgo s ASN 114 CO 0.16 0.19 1.30 0.00 -2.79 0.00 0.00 177.10 175.96 3fgo h ALA 115 N 6.55 0.74 -0.10 1.71 0.00 -1.92 -2.85 119.26 123.39 3fgo h ALA 115 Ca -0.33 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.23 3fgo h ALA 115 Cb 1.19 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3fgo h ALA 115 CO 0.62 0.23 -0.63 0.82 0.00 0.00 0.00 179.25 180.30 3fgo h ILE 116 N 0.00 1.37 -0.30 0.00 2.04 -1.94 -2.05 117.51 116.63 3fgo h ILE 116 Ca -0.02 -1.98 -0.04 0.00 1.00 0.00 0.00 64.86 63.81 3fgo h ILE 116 Cb 1.14 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 3fgo h ILE 116 CO 0.02 0.59 0.02 -0.33 0.00 0.00 0.00 178.15 178.45 3fgo h GLU 117 N 0.26 0.51 -0.81 2.37 5.08 -1.91 -2.00 114.58 118.08 3fgo h GLU 117 Ca -0.01 -0.15 0.09 0.00 -1.00 0.00 0.00 59.36 58.29 3fgo h GLU 117 Cb 1.16 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.30 3fgo h GLU 117 CO 0.10 0.64 0.53 0.00 -1.00 0.00 0.00 179.01 179.28 3fgo h ALA 118 N 0.85 1.70 -0.64 3.43 0.00 -1.46 -1.73 119.26 121.42 3fgo h ALA 118 Ca 0.09 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3fgo h ALA 118 Cb 0.39 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3fgo h ALA 118 CO 0.01 0.14 0.05 1.25 0.00 0.00 0.00 179.25 180.70 3fgo h LEU 119 N 0.79 1.05 -0.27 0.00 5.85 -0.98 -1.73 115.31 120.03 3fgo h LEU 119 Ca 0.37 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3fgo h LEU 119 Cb 0.38 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3fgo h LEU 119 CO -0.14 1.07 0.00 0.29 -0.34 0.00 0.00 178.44 179.32 3fgo n LYS 120 N -4.19 0.03 0.27 1.25 5.02 -0.66 -0.35 118.16 119.53 3fgo n LYS 120 Ca 0.04 0.48 0.16 0.00 -2.02 0.00 0.00 58.31 56.97 3fgo n LYS 120 Cb 0.32 -1.59 0.89 0.00 -0.02 0.00 0.00 35.03 34.63 3fgo n LYS 120 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3fgo h GLU 121 N 0.00 0.00 -0.19 1.97 4.57 -1.26 -1.23 114.58 118.44 3fgo h GLU 121 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3fgo h GLU 121 Cb 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 3fgo h GLU 121 CO 0.00 0.00 0.00 0.66 -1.18 0.00 0.00 179.01 178.49 3fgo n TYR 122 N -3.80 0.24 -3.29 0.92 4.02 0.53 -4.69 117.16 111.08 3fgo n TYR 122 Ca -0.01 -0.12 -0.43 0.00 -0.01 0.00 0.00 57.90 57.33 3fgo n TYR 122 Cb 0.17 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.41 3fgo n TYR 122 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3fgo s GLU 123 N -1.76 3.11 0.54 -0.72 2.02 -0.47 -3.96 118.70 117.45 3fgo s GLU 123 Ca 0.33 -0.76 -0.21 0.00 0.02 0.00 0.00 54.97 54.35 3fgo s GLU 123 Cb 0.18 -3.98 -0.05 0.00 0.10 0.00 0.00 34.13 30.38 3fgo s GLU 123 CO 0.27 -0.90 1.22 -1.25 0.02 0.00 0.00 175.26 174.63 3fgo s PRO 124 N 2.21 3.29 0.27 0.39 0.04 -1.26 -4.92 135.00 135.02 3fgo s PRO 124 Ca 0.13 1.89 0.01 0.00 0.04 0.00 0.00 61.00 63.07 3fgo s PRO 124 Cb -0.17 -2.16 0.39 0.00 0.04 0.00 0.00 34.50 32.60 3fgo s PRO 124 CO 0.14 -0.97 1.73 1.49 0.04 0.00 0.00 177.00 179.42 3fgo h GLU 125 N 1.41 0.55 -6.88 4.56 4.81 -1.96 -3.41 114.58 113.66 3fgo h GLU 125 Ca -0.50 -0.20 -0.69 0.00 -0.13 0.00 0.00 59.36 57.85 3fgo h GLU 125 Cb 1.28 -0.04 -0.22 0.00 0.63 0.00 0.00 28.75 30.40 3fgo h GLU 125 CO 0.57 0.73 -0.87 -1.64 -0.73 0.00 0.00 179.01 177.07 3fgo s MET 126 N -4.59 1.42 0.25 1.92 -1.94 -1.26 -0.03 119.30 115.07 3fgo s MET 126 Ca -0.07 -1.33 0.01 0.00 -1.71 0.00 0.00 55.69 52.59 3fgo s MET 126 Cb 0.14 -1.89 -0.03 0.00 2.01 0.00 0.00 34.83 35.05 3fgo s MET 126 CO 0.80 0.45 0.20 0.20 -0.01 0.00 0.00 175.02 176.66 3fgo s GLY 127 N -2.00 1.69 -0.10 -0.03 0.00 0.03 -4.61 107.32 102.30 3fgo s GLY 127 Ca 0.14 -1.78 0.04 0.00 0.00 0.00 0.00 44.72 43.11 3fgo s GLY 127 CO 0.06 -1.38 -0.23 0.54 0.00 0.00 0.00 173.10 172.09 3fgo s LYS 128 N -3.89 3.09 0.19 2.90 1.02 -1.26 -1.35 119.74 120.44 3fgo s LYS 128 Ca 0.39 -0.86 0.05 0.00 0.02 0.00 0.00 55.97 55.57 3fgo s LYS 128 Cb 0.05 -2.34 -0.05 0.00 -0.52 0.00 0.00 37.83 34.97 3fgo s LYS 128 CO 0.17 0.18 -0.08 0.14 -0.92 0.00 0.00 175.35 174.84 3fgo s VAL 129 N 0.35 1.30 -0.28 3.17 -7.23 0.14 -2.23 120.40 115.62 3fgo s VAL 129 Ca -0.18 -2.09 -0.06 0.00 -1.81 0.00 0.00 61.98 57.84 3fgo s VAL 129 Cb -0.18 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.71 3fgo s VAL 129 CO 0.08 -0.57 0.05 -0.31 -0.31 0.00 0.00 175.10 174.04 3fgo s TYR 130 N -3.25 3.12 0.15 2.82 1.51 -0.58 -0.06 117.35 121.07 3fgo s TYR 130 Ca 0.22 -1.06 0.10 0.00 -1.01 0.00 0.00 57.07 55.32 3fgo s TYR 130 Cb 0.03 -2.21 -0.04 0.00 -0.11 0.00 0.00 41.96 39.63 3fgo s TYR 130 CO 0.05 -0.59 -0.18 1.03 -1.11 0.00 0.00 175.55 174.75 3fgo s ARG 131 N 1.47 1.76 0.58 -0.62 0.52 -1.23 -3.93 118.95 117.51 3fgo s ARG 131 Ca 0.02 -1.30 0.27 0.00 -0.52 0.00 0.00 55.73 54.21 3fgo s ARG 131 Cb -0.17 -2.05 1.47 0.00 0.52 0.00 0.00 34.95 34.73 3fgo s ARG 131 CO 0.01 0.45 1.81 0.00 0.02 0.00 0.00 175.30 177.59 3fgo h ALA 132 N 3.41 1.27 -0.00 2.13 0.00 0.34 -1.47 119.26 124.94 3fgo h ALA 132 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3fgo h ALA 132 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3fgo h ALA 132 CO 0.48 -0.27 -0.22 -0.40 0.00 0.00 0.00 179.25 178.84 3fgo n ASP 133 N -2.70 0.64 -3.86 0.00 3.85 -1.26 -4.82 116.55 108.39 3fgo n ASP 133 Ca -0.02 -0.55 -0.11 0.00 -0.71 0.00 0.00 54.79 53.40 3fgo n ASP 133 Cb 0.34 0.02 -0.11 0.00 -1.35 0.00 0.00 41.12 40.02 3fgo n ASP 133 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3fgo s ARG 134 N -2.61 0.40 0.19 0.11 0.52 -0.56 -5.04 118.95 111.97 3fgo s ARG 134 Ca 0.23 -0.26 0.07 0.00 -0.52 0.00 0.00 55.73 55.25 3fgo s ARG 134 Cb 0.19 0.17 0.04 0.00 0.52 0.00 0.00 34.95 35.88 3fgo s ARG 134 CO 0.53 -0.09 1.42 -0.22 0.02 0.00 0.00 175.30 176.97 3fgo h LYS 135 N 4.68 0.06 -6.48 3.54 1.63 -1.88 -3.40 116.57 114.73 3fgo h LYS 135 Ca -0.29 -0.07 -0.52 0.00 -0.85 0.00 0.00 60.65 58.92 3fgo h LYS 135 Cb 1.20 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.83 3fgo h LYS 135 CO 0.41 0.86 -0.15 -1.54 -3.45 0.00 0.00 179.45 175.57 3fgo s SER 136 N -6.83 6.44 0.63 4.20 1.04 -1.26 -5.03 113.70 112.90 3fgo s SER 136 Ca -0.01 0.70 -0.18 0.00 0.48 0.00 0.00 55.95 56.94 3fgo s SER 136 Cb 0.11 -2.14 -0.02 0.00 0.10 0.00 0.00 66.02 64.07 3fgo s SER 136 CO 0.80 -0.19 1.22 0.55 0.98 0.00 0.00 173.24 176.61 3fgo n VAL 137 N -0.91 4.59 -4.85 5.02 3.14 -1.26 -4.80 118.33 119.25 3fgo n VAL 137 Ca -0.02 -0.50 -0.29 0.00 -2.96 0.00 0.00 64.34 60.57 3fgo n VAL 137 Cb 0.54 -1.43 -0.17 0.00 -1.06 0.00 0.00 33.84 31.72 3fgo n VAL 137 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 3fgo s GLN 138 N -3.19 2.54 -0.38 1.45 -0.21 0.92 -4.94 119.66 115.85 3fgo s GLN 138 Ca 0.80 -0.70 -0.16 0.00 0.02 0.00 0.00 55.36 55.32 3fgo s GLN 138 Cb -0.39 -2.00 0.01 0.00 1.00 0.00 0.00 33.01 31.62 3fgo s GLN 138 CO 0.42 0.07 0.40 0.50 -2.12 0.00 0.00 175.29 174.57 3fgo s ARG 139 N 0.60 3.31 0.36 2.91 3.52 -1.26 -0.68 118.95 127.70 3fgo s ARG 139 Ca -0.14 -0.60 0.04 0.00 -0.13 0.00 0.00 55.73 54.90 3fgo s ARG 139 Cb -0.17 -3.89 -0.06 0.00 -1.56 0.00 0.00 34.95 29.28 3fgo s ARG 139 CO 0.04 -0.70 0.06 0.96 -0.81 0.00 0.00 175.30 174.86 3fgo s ILE 140 N 2.07 1.22 0.26 4.11 -4.36 -0.45 -4.97 121.20 119.08 3fgo s ILE 140 Ca 0.12 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 58.20 3fgo s ILE 140 Cb -0.17 -2.73 -0.12 0.00 1.25 0.00 0.00 42.46 40.70 3fgo s ILE 140 CO 0.13 0.00 1.64 0.29 0.24 0.00 0.00 174.94 177.23 3fgo n LYS 141 N -0.79 2.71 -0.01 0.37 4.76 -1.26 -0.79 118.16 123.16 3fgo n LYS 141 Ca -0.04 0.97 0.02 0.00 -2.87 0.00 0.00 58.31 56.39 3fgo n LYS 141 Cb 0.66 -2.77 0.36 0.00 -1.84 0.00 0.00 35.03 31.45 3fgo n LYS 141 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3fgo h ALA 142 N 5.44 1.55 0.00 7.82 0.00 -0.68 -1.15 119.26 132.25 3fgo h ALA 142 Ca -0.46 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3fgo h ALA 142 Cb 1.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3fgo h ALA 142 CO 0.85 0.35 0.00 0.07 0.00 0.00 0.00 179.25 180.52 3fgo h ARG 143 N 0.55 0.00 -0.02 0.00 0.11 -1.78 -0.32 114.38 112.92 3fgo h ARG 143 Ca 0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.22 3fgo h ARG 143 Cb 0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 3fgo h ARG 143 CO -0.01 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.81 3fgo n ASP 144 N -2.90 1.19 -4.78 0.08 8.00 -0.44 0.18 116.55 117.88 3fgo n ASP 144 Ca -0.01 -1.42 -0.37 0.00 0.71 0.00 0.00 54.79 53.70 3fgo n ASP 144 Cb 0.16 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.21 3fgo n ASP 144 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fgo s ILE 145 N -1.98 3.72 0.11 0.53 1.01 -0.13 -4.95 121.20 119.50 3fgo s ILE 145 Ca 0.39 1.34 0.03 0.00 0.00 0.00 0.00 60.65 62.41 3fgo s ILE 145 Cb 0.21 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 3fgo s ILE 145 CO 0.33 0.03 -0.08 0.68 0.00 0.00 0.00 174.94 175.90 3fgo s VAL 146 N -1.63 0.88 0.34 2.92 -7.23 -1.26 -3.99 120.40 110.43 3fgo s VAL 146 Ca 0.57 -1.94 -0.27 0.00 -1.81 0.00 0.00 61.98 58.53 3fgo s VAL 146 Cb -0.23 -1.69 -0.13 0.00 0.56 0.00 0.00 36.38 34.90 3fgo s VAL 146 CO 0.28 -0.79 1.12 -2.65 -0.31 0.00 0.00 175.10 172.75 3fgo n PRO 147 N -0.02 1.65 0.00 4.82 -0.02 -1.26 -1.47 135.00 138.71 3fgo n PRO 147 Ca -0.12 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3fgo n PRO 147 Cb 0.60 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3fgo n PRO 147 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fgo n GLY 148 N 1.03 3.27 3.75 -1.23 0.00 -0.33 -4.97 105.19 106.71 3fgo n GLY 148 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3fgo n GLY 148 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fgo s ASP 149 N -0.60 6.50 -0.22 1.61 1.01 -0.54 -4.55 116.67 119.88 3fgo s ASP 149 Ca 0.00 2.82 -0.29 0.00 0.71 0.00 0.00 52.55 55.79 3fgo s ASP 149 Cb 0.00 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.30 3fgo s ASP 149 CO 0.00 -0.82 1.14 -0.63 0.21 0.00 0.00 175.17 175.08 3fgo s ILE 150 N 0.00 4.48 0.11 0.77 -1.09 -1.26 -0.91 121.20 123.30 3fgo s ILE 150 Ca 0.61 1.76 0.10 0.00 -2.23 0.00 0.00 60.65 60.90 3fgo s ILE 150 Cb -0.45 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.19 3fgo s ILE 150 CO 0.46 -0.23 -0.26 0.68 -1.23 0.00 0.00 174.94 174.36 3fgo s VAL 151 N 3.46 2.29 -0.15 2.92 -7.23 0.41 -1.52 120.40 120.58 3fgo s VAL 151 Ca 0.49 -1.67 -0.00 0.00 -1.81 0.00 0.00 61.98 58.99 3fgo s VAL 151 Cb -0.17 -1.99 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 3fgo s VAL 151 CO 0.12 0.15 -0.13 -0.70 -0.31 0.00 0.00 175.10 174.22 3fgo s GLU 152 N -1.90 3.32 0.16 4.82 2.12 -0.95 0.16 118.70 126.43 3fgo s GLU 152 Ca 0.14 -0.70 0.11 0.00 0.36 0.00 0.00 54.97 54.87 3fgo s GLU 152 Cb -0.10 -2.66 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 3fgo s GLU 152 CO 0.06 0.11 -0.25 0.14 -0.54 0.00 0.00 175.26 174.78 3fgo s VAL 153 N 0.60 2.27 0.18 3.70 -7.23 0.02 -4.27 120.40 115.67 3fgo s VAL 153 Ca -0.08 -1.90 -0.09 0.00 -1.81 0.00 0.00 61.98 58.10 3fgo s VAL 153 Cb -0.16 -2.04 -0.01 0.00 0.56 0.00 0.00 36.38 34.73 3fgo s VAL 153 CO 0.03 -0.04 0.31 0.00 -0.31 0.00 0.00 175.10 175.09 3fgo s ALA 154 N -1.42 0.07 -0.11 1.32 0.00 -1.26 -1.00 121.76 119.35 3fgo s ALA 154 Ca 0.17 -0.96 -0.41 0.00 0.00 0.00 0.00 51.96 50.77 3fgo s ALA 154 Cb -0.09 0.95 -0.19 0.00 0.00 0.00 0.00 23.12 23.80 3fgo s ALA 154 CO 0.08 -0.68 1.34 1.55 0.00 0.00 0.00 175.76 178.05 3fgo n VAL 155 N -0.25 0.04 0.00 0.00 3.14 -0.56 -0.17 118.33 120.53 3fgo n VAL 155 Ca -0.05 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 3fgo n VAL 155 Cb 0.63 -0.48 0.00 0.00 -1.06 0.00 0.00 33.84 32.93 3fgo n VAL 155 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3fgo n GLY 156 N 2.63 1.58 3.77 7.55 0.00 0.17 -5.00 105.19 115.88 3fgo n GLY 156 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 3fgo n GLY 156 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fgo s ASP 157 N -2.52 6.86 -0.03 1.61 -0.00 0.76 -4.81 116.67 118.54 3fgo s ASP 157 Ca 0.00 2.30 -0.27 0.00 -0.00 0.00 0.00 52.55 54.58 3fgo s ASP 157 Cb 0.00 -2.62 -0.03 0.00 -0.00 0.00 0.00 42.92 40.27 3fgo s ASP 157 CO 0.00 -0.43 0.87 -0.54 -0.00 0.00 0.00 175.17 175.07 3fgo s LYS 158 N -1.96 4.50 -0.01 8.23 1.02 -1.26 -1.36 119.74 128.89 3fgo s LYS 158 Ca 0.52 1.20 -0.30 0.00 0.02 0.00 0.00 55.97 57.40 3fgo s LYS 158 Cb -0.31 -3.46 -0.06 0.00 -0.52 0.00 0.00 37.83 33.49 3fgo s LYS 158 CO 0.39 -0.02 1.54 0.08 -0.92 0.00 0.00 175.35 176.42 3fgo s VAL 159 N 0.98 3.54 -0.77 3.17 1.01 0.36 -4.82 120.40 123.87 3fgo s VAL 159 Ca 0.46 0.84 0.26 0.00 0.00 0.00 0.00 61.98 63.54 3fgo s VAL 159 Cb -0.20 -3.54 0.20 0.00 0.00 0.00 0.00 36.38 32.84 3fgo s VAL 159 CO 0.23 -0.03 1.66 -0.81 0.00 0.00 0.00 175.10 176.15 3fgo n PRO 160 N 6.13 0.21 -3.77 2.72 -0.04 -1.26 0.44 135.00 139.43 3fgo n PRO 160 Ca 0.15 0.13 -0.04 0.00 -0.04 0.00 0.00 63.50 63.70 3fgo n PRO 160 Cb 0.43 -1.70 -0.02 0.00 -0.04 0.00 0.00 33.50 32.17 3fgo n PRO 160 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fgo s ALA 161 N -3.09 -1.56 -0.16 0.55 0.00 -1.26 -4.85 121.76 111.38 3fgo s ALA 161 Ca 0.10 0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.82 3fgo s ALA 161 Cb 0.14 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 3fgo s ALA 161 CO 0.62 -1.03 1.20 -0.51 0.00 0.00 0.00 175.76 176.04 3fgo s ASP 162 N -2.93 7.00 -0.05 0.00 1.11 -0.56 -2.76 116.67 118.48 3fgo s ASP 162 Ca 0.12 1.65 0.02 0.00 0.18 0.00 0.00 52.55 54.52 3fgo s ASP 162 Cb -0.02 -2.54 0.01 0.00 1.07 0.00 0.00 42.92 41.44 3fgo s ASP 162 CO 0.03 -0.70 -0.09 -0.63 1.18 0.00 0.00 175.17 174.95 3fgo s ILE 163 N 3.17 0.88 -0.15 0.77 1.01 0.41 0.34 121.20 127.64 3fgo s ILE 163 Ca 0.53 -0.34 -0.28 0.00 0.00 0.00 0.00 60.65 60.56 3fgo s ILE 163 Cb -0.21 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 3fgo s ILE 163 CO 0.14 0.30 0.94 -0.60 0.00 0.00 0.00 174.94 175.72 3fgo s ARG 164 N 0.68 4.35 0.13 2.79 6.06 0.16 0.24 118.95 133.37 3fgo s ARG 164 Ca -0.12 1.24 -0.31 0.00 -2.50 0.00 0.00 55.73 54.05 3fgo s ARG 164 Cb -0.14 -3.57 -0.07 0.00 0.06 0.00 0.00 34.95 31.22 3fgo s ARG 164 CO 0.02 -0.36 1.28 0.42 -2.50 0.00 0.00 175.30 174.16 3fgo s ILE 165 N 2.22 3.54 -0.22 4.11 1.01 -0.01 -0.33 121.20 131.51 3fgo s ILE 165 Ca 0.44 1.18 0.07 0.00 0.00 0.00 0.00 60.65 62.34 3fgo s ILE 165 Cb -0.17 -3.75 -0.18 0.00 0.01 0.00 0.00 42.46 38.36 3fgo s ILE 165 CO 0.14 0.13 -0.11 0.18 0.00 0.00 0.00 174.94 175.28 3fgo n LEU 166 N 3.35 1.90 -3.51 2.97 4.77 0.11 -4.81 117.00 121.79 3fgo n LEU 166 Ca 0.08 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3fgo n LEU 166 Cb 0.44 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 3fgo n LEU 166 CO 0.57 0.75 0.46 -0.55 -1.33 0.00 0.00 177.39 177.29 3fgo s SER 167 N -5.96 -0.82 -0.22 -1.43 0.15 -0.78 -4.97 113.70 99.67 3fgo s SER 167 Ca -0.24 1.12 -0.16 0.00 0.70 0.00 0.00 55.95 57.37 3fgo s SER 167 Cb 0.07 1.92 -0.04 0.00 -1.71 0.00 0.00 66.02 66.27 3fgo s SER 167 CO 0.63 -0.16 0.41 -0.63 1.20 0.00 0.00 173.24 174.70 3fgo s ILE 168 N 2.63 5.18 -0.15 6.45 1.01 -1.26 -0.72 121.20 134.33 3fgo s ILE 168 Ca -0.04 0.71 0.06 0.00 0.00 0.00 0.00 60.65 61.38 3fgo s ILE 168 Cb -0.08 -3.74 -0.23 0.00 0.01 0.00 0.00 42.46 38.42 3fgo s ILE 168 CO -0.18 0.21 0.22 0.29 0.00 0.00 0.00 174.94 175.49 3fgo n LYS 169 N 4.76 0.68 -1.49 2.79 4.76 0.19 -4.85 118.16 124.99 3fgo n LYS 169 Ca -0.08 0.18 -0.30 0.00 -2.87 0.00 0.00 58.31 55.24 3fgo n LYS 169 Cb 0.51 -1.64 0.22 0.00 -1.84 0.00 0.00 35.03 32.28 3fgo n LYS 169 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3fgo s SER 170 N -6.32 1.89 0.25 4.39 1.04 -1.07 -4.93 113.70 108.96 3fgo s SER 170 Ca -0.18 0.42 0.02 0.00 0.48 0.00 0.00 55.95 56.68 3fgo s SER 170 Cb 0.07 -0.54 0.32 0.00 0.10 0.00 0.00 66.02 65.98 3fgo s SER 170 CO 0.76 -3.50 1.65 0.74 0.98 0.00 0.00 173.24 173.86 3fgo h THR 171 N -2.17 1.29 -4.11 2.02 2.02 -1.92 -3.45 112.91 106.59 3fgo h THR 171 Ca -0.44 -1.48 -0.12 0.00 0.77 0.00 0.00 66.41 65.14 3fgo h THR 171 Cb 1.26 1.53 -0.16 0.00 -1.74 0.00 0.00 68.15 69.04 3fgo h THR 171 CO 0.34 0.46 -0.62 0.42 0.37 0.00 0.00 175.52 176.49 3fgo s THR 172 N -4.29 0.19 -0.24 3.16 -4.23 -1.26 -4.69 115.64 104.28 3fgo s THR 172 Ca -0.07 -1.57 -0.02 0.00 -1.18 0.00 0.00 61.69 58.85 3fgo s THR 172 Cb 0.13 -1.33 0.02 0.00 1.34 0.00 0.00 72.50 72.66 3fgo s THR 172 CO 0.80 -0.87 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.72 3fgo s LEU 173 N -2.71 3.03 -0.20 4.79 2.96 -1.26 -4.15 118.68 121.14 3fgo s LEU 173 Ca 0.04 -0.76 -0.02 0.00 -0.22 0.00 0.00 54.13 53.17 3fgo s LEU 173 Cb 0.05 -1.66 -0.00 0.00 0.50 0.00 0.00 46.19 45.08 3fgo s LEU 173 CO -0.09 -0.10 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.62 3fgo s ARG 174 N 1.35 3.27 -0.08 1.98 0.52 -0.43 -1.71 118.95 123.84 3fgo s ARG 174 Ca 0.02 -0.69 0.04 0.00 -0.52 0.00 0.00 55.73 54.58 3fgo s ARG 174 Cb -0.16 -2.83 -0.01 0.00 0.52 0.00 0.00 34.95 32.47 3fgo s ARG 174 CO -0.05 -0.14 -0.23 0.08 0.02 0.00 0.00 175.30 174.97 3fgo s VAL 175 N 1.27 2.15 -0.53 3.52 1.01 0.58 -0.08 120.40 128.32 3fgo s VAL 175 Ca 0.03 -1.00 -0.24 0.00 0.00 0.00 0.00 61.98 60.76 3fgo s VAL 175 Cb -0.14 -1.81 0.04 0.00 0.00 0.00 0.00 36.38 34.47 3fgo s VAL 175 CO -0.05 0.56 0.93 -0.62 0.00 0.00 0.00 175.10 175.93 3fgo s ASP 176 N 0.12 6.37 -0.24 3.32 2.15 -0.28 0.20 116.67 128.31 3fgo s ASP 176 Ca -0.12 -0.27 0.14 0.00 0.43 0.00 0.00 52.55 52.73 3fgo s ASP 176 Cb -0.16 -2.44 0.68 0.00 -0.30 0.00 0.00 42.92 40.70 3fgo s ASP 176 CO 0.07 -1.19 1.63 0.00 -0.17 0.00 0.00 175.17 175.51 3fgo n GLN 177 N 7.38 3.68 -0.21 4.34 6.02 -1.26 -2.55 117.38 134.78 3fgo n GLN 177 Ca 0.02 -3.04 0.31 0.00 -0.01 0.00 0.00 57.00 54.29 3fgo n GLN 177 Cb 0.48 -2.07 0.72 0.00 1.02 0.00 0.00 30.24 30.39 3fgo n GLN 177 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3fgo h SER 178 N 2.66 0.00 0.61 1.08 4.64 -1.82 -0.36 113.55 120.36 3fgo h SER 178 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3fgo h SER 178 Cb 1.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 3fgo h SER 178 CO 0.45 0.00 0.00 0.16 -0.87 0.00 0.00 176.83 176.57 3fgo h ILE 179 N 0.00 0.00 0.00 0.95 3.07 -1.88 0.51 117.51 120.16 3fgo h ILE 179 Ca 0.47 -0.23 0.00 0.00 1.55 0.00 0.00 64.86 66.65 3fgo h ILE 179 Cb 1.99 0.99 0.00 0.00 -0.27 0.00 0.00 36.82 39.53 3fgo h ILE 179 CO -0.00 0.00 -1.15 0.18 -1.05 0.00 0.00 178.15 176.13 3fgo n LEU 180 N -2.47 0.10 0.00 0.16 4.77 -0.18 -2.29 117.00 117.09 3fgo n LEU 180 Ca 0.01 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3fgo n LEU 180 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3fgo n LEU 180 CO 0.19 0.03 -0.33 0.35 -1.33 0.00 0.00 177.39 176.30 3fgo n THR 181 N -1.65 0.00 0.00 -5.08 -2.24 -0.97 -4.36 114.28 99.97 3fgo n THR 181 Ca -0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3fgo n THR 181 Cb 0.21 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 3fgo n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fgo n GLY 182 N 1.76 3.15 3.69 3.38 0.00 0.18 -3.57 105.19 113.78 3fgo n GLY 182 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3fgo n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fgo s GLU 183 N -0.31 4.39 0.00 1.61 0.41 -1.26 -4.84 118.70 118.70 3fgo s GLU 183 Ca 0.00 1.08 0.27 0.00 -0.41 0.00 0.00 54.97 55.91 3fgo s GLU 183 Cb 0.00 -3.52 0.87 0.00 -1.78 0.00 0.00 34.13 29.70 3fgo s GLU 183 CO 0.00 -0.17 1.64 0.43 -0.49 0.00 0.00 175.26 176.67 3fgo n SER 184 N 4.60 0.72 -4.73 -0.19 7.64 -1.26 -2.56 113.62 117.83 3fgo n SER 184 Ca 0.04 -0.61 -0.41 0.00 1.01 0.00 0.00 58.87 58.89 3fgo n SER 184 Cb 0.50 0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.73 3fgo n SER 184 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3fgo s VAL 185 N -2.61 3.55 0.42 0.44 0.11 -1.26 -4.83 120.40 116.22 3fgo s VAL 185 Ca 0.23 1.24 -0.27 0.00 -2.93 0.00 0.00 61.98 60.25 3fgo s VAL 185 Cb 0.19 -3.79 -0.10 0.00 -1.53 0.00 0.00 36.38 31.15 3fgo s VAL 185 CO 0.54 0.17 1.46 -0.44 -3.33 0.00 0.00 175.10 173.50 3fgo s SER 186 N 0.42 6.09 -0.15 3.54 0.01 -1.26 -4.72 113.70 117.62 3fgo s SER 186 Ca 0.56 3.00 -0.14 0.00 1.31 0.00 0.00 55.95 60.68 3fgo s SER 186 Cb -0.33 -2.66 -0.05 0.00 0.21 0.00 0.00 66.02 63.19 3fgo s SER 186 CO 0.35 -1.04 0.32 -0.69 0.41 0.00 0.00 173.24 172.58 3fgo s VAL 187 N -1.16 5.29 -0.31 3.43 1.01 0.13 -4.84 120.40 123.95 3fgo s VAL 187 Ca 0.57 0.60 -0.20 0.00 0.00 0.00 0.00 61.98 62.95 3fgo s VAL 187 Cb -0.45 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 3fgo s VAL 187 CO 0.60 0.38 0.61 -0.63 0.00 0.00 0.00 175.10 176.06 3fgo s ILE 188 N 0.46 4.95 0.27 2.22 -1.09 -1.26 -0.31 121.20 126.45 3fgo s ILE 188 Ca 0.18 0.77 -0.04 0.00 -2.23 0.00 0.00 60.65 59.33 3fgo s ILE 188 Cb -0.13 -3.99 -0.05 0.00 -1.58 0.00 0.00 42.46 36.71 3fgo s ILE 188 CO 0.05 -0.14 0.52 -0.54 -1.23 0.00 0.00 174.94 173.59 3fgo s LYS 189 N 2.57 3.60 0.29 2.79 -0.14 -0.69 -4.98 119.74 123.18 3fgo s LYS 189 Ca 0.24 -0.09 0.06 0.00 -1.36 0.00 0.00 55.97 54.82 3fgo s LYS 189 Cb -0.15 -2.69 -0.02 0.00 -1.68 0.00 0.00 37.83 33.29 3fgo s LYS 189 CO 0.12 0.25 0.21 -2.39 -0.76 0.00 0.00 175.35 172.79 3fgo n HIS 190 N -0.91 -0.52 0.04 3.18 1.44 0.24 -4.52 115.22 114.17 3fgo n HIS 190 Ca -0.02 -2.33 0.05 0.00 -2.01 0.00 0.00 57.72 53.41 3fgo n HIS 190 Cb 0.54 0.20 0.10 0.00 0.12 0.00 0.00 29.99 30.94 3fgo n HIS 190 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3fgo n THR 191 N -0.58 0.66 -1.98 0.61 -2.24 -1.26 -3.54 114.28 105.95 3fgo n THR 191 Ca 0.04 -0.83 -0.30 0.00 -2.27 0.00 0.00 64.05 60.69 3fgo n THR 191 Cb 0.51 0.74 0.02 0.00 -2.10 0.00 0.00 70.33 69.50 3fgo n THR 191 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3fgo s GLU 192 N -0.93 3.41 0.52 -0.78 2.02 -1.26 -4.60 118.70 117.09 3fgo s GLU 192 Ca 0.17 0.60 -0.22 0.00 0.02 0.00 0.00 54.97 55.54 3fgo s GLU 192 Cb 0.09 -2.11 -0.06 0.00 0.10 0.00 0.00 34.13 32.16 3fgo s GLU 192 CO 0.13 -0.63 1.31 -2.14 0.02 0.00 0.00 175.26 173.94 3fgo s PRO 193 N -5.16 3.32 -0.54 0.39 0.02 -1.26 -4.68 135.00 127.08 3fgo s PRO 193 Ca 0.55 2.11 -0.05 0.00 0.02 0.00 0.00 61.00 63.62 3fgo s PRO 193 Cb -0.11 -2.30 0.14 0.00 0.02 0.00 0.00 34.50 32.25 3fgo s PRO 193 CO 0.52 -1.01 0.38 0.08 -0.33 0.00 0.00 177.00 176.64 3fgo s VAL 194 N -1.37 3.86 0.47 3.83 1.01 -0.50 -5.01 120.40 122.70 3fgo s VAL 194 Ca 0.69 -2.38 0.12 0.00 0.00 0.00 0.00 61.98 60.41 3fgo s VAL 194 Cb -0.37 -3.55 0.26 0.00 0.00 0.00 0.00 36.38 32.73 3fgo s VAL 194 CO 0.44 -0.81 2.10 -0.65 0.00 0.00 0.00 175.10 176.18 3fgo h PRO 195 N 7.73 0.24 -6.02 2.72 0.11 -1.86 -3.30 132.00 131.62 3fgo h PRO 195 Ca -0.09 -0.02 -0.63 0.00 0.11 0.00 0.00 66.00 65.38 3fgo h PRO 195 Cb 1.02 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3fgo h PRO 195 CO 0.75 0.17 1.41 -3.47 -0.21 0.00 0.00 178.00 176.65 3fgo n ASP 196 N -4.50 2.76 0.33 -2.05 -0.08 -1.26 -4.82 116.55 106.93 3fgo n ASP 196 Ca -0.00 0.39 0.22 0.00 -1.51 0.00 0.00 54.79 53.88 3fgo n ASP 196 Cb 0.09 -1.40 1.18 0.00 2.34 0.00 0.00 41.12 43.32 3fgo n ASP 196 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3fgo h PRO 197 N 13.15 0.00 -0.48 -0.67 0.11 -2.01 -1.79 132.00 140.30 3fgo h PRO 197 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3fgo h PRO 197 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3fgo h PRO 197 CO 0.99 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.32 3fgo n ARG 198 N -3.19 3.47 -1.57 1.05 1.74 -1.26 -4.99 116.66 111.91 3fgo n ARG 198 Ca -0.03 -2.74 -0.50 0.00 -0.77 0.00 0.00 57.85 53.81 3fgo n ARG 198 Cb 0.08 -1.79 -0.05 0.00 -1.02 0.00 0.00 32.46 29.68 3fgo n ARG 198 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fgo n ALA 199 N 0.53 -1.12 -2.21 7.54 0.00 -0.68 -4.96 120.51 119.61 3fgo n ALA 199 Ca 0.22 0.48 -0.26 0.00 0.00 0.00 0.00 53.44 53.88 3fgo n ALA 199 Cb 0.83 -2.00 0.01 0.00 0.00 0.00 0.00 19.45 18.29 3fgo n ALA 199 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fgo s VAL 200 N -0.07 4.28 0.30 0.00 0.11 -1.26 -4.92 120.40 118.84 3fgo s VAL 200 Ca 0.76 0.01 0.06 0.00 -2.93 0.00 0.00 61.98 59.88 3fgo s VAL 200 Cb -0.91 -3.64 0.30 0.00 -1.53 0.00 0.00 36.38 30.60 3fgo s VAL 200 CO 0.52 -0.61 1.71 0.78 -3.33 0.00 0.00 175.10 174.16 3fgo h ASN 201 N 0.10 0.45 0.11 3.54 2.35 -1.94 0.98 115.58 121.17 3fgo h ASN 201 Ca -0.46 0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.44 3fgo h ASN 201 Cb 1.23 0.10 -0.00 0.00 0.05 0.00 0.00 38.32 39.70 3fgo h ASN 201 CO 0.61 0.03 -0.01 1.56 -1.65 0.00 0.00 177.43 177.97 3fgo h GLN 202 N 0.46 0.00 0.00 0.81 7.50 -1.94 -1.21 115.11 120.73 3fgo h GLN 202 Ca 0.59 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.71 3fgo h GLN 202 Cb 1.14 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.66 3fgo h GLN 202 CO -0.51 0.01 -0.94 -0.44 -1.50 0.00 0.00 178.83 175.44 3fgo h ASP 203 N 0.00 0.00 -0.45 1.46 3.32 -1.17 -3.42 116.42 116.15 3fgo h ASP 203 Ca -0.00 0.00 -0.72 0.00 0.02 0.00 0.00 57.03 56.33 3fgo h ASP 203 Cb 0.06 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.55 3fgo h ASP 203 CO 0.00 0.11 2.89 0.29 -1.72 0.00 0.00 179.24 180.81 3fgo n LYS 204 N -2.78 3.30 0.00 3.56 5.02 -0.46 -4.69 118.16 122.11 3fgo n LYS 204 Ca -0.01 -2.86 0.08 0.00 -2.02 0.00 0.00 58.31 53.50 3fgo n LYS 204 Cb 0.60 -3.08 0.40 0.00 -0.02 0.00 0.00 35.03 32.93 3fgo n LYS 204 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3fgo n LYS 205 N 4.85 0.28 -0.25 1.97 5.02 -1.26 -1.32 118.16 127.44 3fgo n LYS 205 Ca 0.53 0.11 0.07 0.00 -2.02 0.00 0.00 58.31 56.99 3fgo n LYS 205 Cb 0.35 -1.50 0.19 0.00 -0.02 0.00 0.00 35.03 34.05 3fgo n LYS 205 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3fgo n ASN 206 N -1.22 3.23 -4.49 4.39 6.94 -1.23 -0.59 115.26 122.29 3fgo n ASN 206 Ca 0.08 -2.23 -0.28 0.00 -0.02 0.00 0.00 54.58 52.14 3fgo n ASN 206 Cb 0.11 -0.32 -0.11 0.00 -2.36 0.00 0.00 39.78 37.10 3fgo n ASN 206 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3fgo s MET 207 N -1.42 1.75 -0.08 -3.83 -1.94 -0.43 -0.83 119.30 112.52 3fgo s MET 207 Ca 0.29 -1.35 0.04 0.00 -1.71 0.00 0.00 55.69 52.96 3fgo s MET 207 Cb 0.18 -2.01 -0.01 0.00 2.01 0.00 0.00 34.83 35.00 3fgo s MET 207 CO 0.15 0.43 -0.22 -0.51 -0.01 0.00 0.00 175.02 174.86 3fgo s LEU 208 N -2.57 2.24 -0.16 -0.03 1.43 0.14 -4.90 118.68 114.82 3fgo s LEU 208 Ca 0.21 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 3fgo s LEU 208 Cb -0.09 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 3fgo s LEU 208 CO 0.11 0.21 -0.03 -0.36 0.23 0.00 0.00 176.35 176.52 3fgo s PHE 209 N 0.04 3.04 0.09 0.29 0.40 -1.26 -0.44 117.98 120.14 3fgo s PHE 209 Ca -0.09 -0.30 -0.36 0.00 -0.60 0.00 0.00 56.93 55.58 3fgo s PHE 209 Cb -0.15 -1.98 -0.17 0.00 0.51 0.00 0.00 43.02 41.23 3fgo s PHE 209 CO 0.06 -0.05 1.27 0.45 0.70 0.00 0.00 175.22 177.64 3fgo n SER 210 N 3.62 1.35 0.00 1.36 2.88 -1.11 -1.48 113.62 120.23 3fgo n SER 210 Ca -0.17 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 3fgo n SER 210 Cb 0.52 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 3fgo n SER 210 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fgo n GLY 211 N 2.30 1.75 3.95 0.46 0.00 0.17 -4.49 105.19 109.34 3fgo n GLY 211 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3fgo n GLY 211 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fgo s THR 212 N -2.36 2.00 0.10 2.61 -4.23 -0.55 -4.80 115.64 108.41 3fgo s THR 212 Ca 0.00 -0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.35 3fgo s THR 212 Cb 0.00 -2.87 -0.03 0.00 1.34 0.00 0.00 72.50 70.94 3fgo s THR 212 CO 0.00 0.00 0.08 0.54 -0.54 0.00 0.00 174.62 174.70 3fgo s ASN 213 N -4.93 0.30 -0.40 3.99 2.20 -1.06 -0.48 114.94 114.55 3fgo s ASN 213 Ca 0.75 -0.99 -0.21 0.00 -0.94 0.00 0.00 52.86 51.48 3fgo s ASN 213 Cb -0.02 0.29 0.01 0.00 -2.00 0.00 0.00 41.25 39.53 3fgo s ASN 213 CO 0.52 -0.71 0.65 -0.63 -2.94 0.00 0.00 177.10 173.99 3fgo s ILE 214 N -3.96 4.84 -0.30 0.54 -1.09 -0.46 -1.13 121.20 119.64 3fgo s ILE 214 Ca 0.14 0.36 0.22 0.00 -2.23 0.00 0.00 60.65 59.14 3fgo s ILE 214 Cb 0.07 -4.15 0.28 0.00 -1.58 0.00 0.00 42.46 37.07 3fgo s ILE 214 CO -0.05 -0.47 1.62 0.00 -1.23 0.00 0.00 174.94 174.80 3fgo h ALA 215 N 8.69 0.93 -1.43 9.38 0.00 -0.83 0.50 119.26 136.50 3fgo h ALA 215 Ca -0.26 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 54.67 3fgo h ALA 215 Cb 1.10 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.63 3fgo h ALA 215 CO 0.87 0.16 0.67 0.00 0.00 0.00 0.00 179.25 180.95 3fgo s ALA 216 N -3.22 -1.99 0.00 0.00 0.00 -0.78 -4.74 121.76 111.04 3fgo s ALA 216 Ca 0.05 1.66 0.00 0.00 0.00 0.00 0.00 51.96 53.67 3fgo s ALA 216 Cb 0.06 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.29 3fgo s ALA 216 CO 0.67 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.54 3fgo n GLY 217 N 0.62 -2.76 2.88 0.00 0.00 -1.26 -1.32 105.19 103.35 3fgo n GLY 217 Ca -0.07 -1.91 -0.14 0.00 0.00 0.00 0.00 46.02 43.91 3fgo n GLY 217 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fgo s LYS 218 N -0.49 0.05 0.14 1.61 2.20 -1.26 -1.50 119.74 120.49 3fgo s LYS 218 Ca 0.00 0.24 -0.07 0.00 -0.36 0.00 0.00 55.97 55.78 3fgo s LYS 218 Cb 0.00 -0.14 -0.01 0.00 -1.51 0.00 0.00 37.83 36.16 3fgo s LYS 218 CO 0.00 -0.13 0.21 0.00 -0.36 0.00 0.00 175.35 175.08 3fgo s ALA 219 N 0.84 0.15 -0.07 3.13 0.00 -0.17 0.55 121.76 126.18 3fgo s ALA 219 Ca -0.07 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 50.97 3fgo s ALA 219 Cb -0.09 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 3fgo s ALA 219 CO -0.03 -0.58 -0.19 -1.17 0.00 0.00 0.00 175.76 173.79 3fgo s LEU 220 N -2.96 2.43 0.34 0.00 2.96 0.11 -0.80 118.68 120.76 3fgo s LEU 220 Ca 0.16 -0.36 0.06 0.00 -0.22 0.00 0.00 54.13 53.77 3fgo s LEU 220 Cb 0.05 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 3fgo s LEU 220 CO -0.02 0.27 0.31 -0.83 -1.32 0.00 0.00 176.35 174.76 3fgo s GLY 221 N -0.29 2.24 -0.07 7.98 0.00 0.12 0.09 107.32 117.40 3fgo s GLY 221 Ca 0.01 -2.01 0.04 0.00 0.00 0.00 0.00 44.72 42.77 3fgo s GLY 221 CO 0.03 -1.41 -0.21 -1.50 0.00 0.00 0.00 173.10 170.01 3fgo s ILE 222 N -3.36 1.75 -0.03 0.90 2.07 0.55 -0.44 121.20 122.64 3fgo s ILE 222 Ca 0.39 -0.87 -0.30 0.00 -1.41 0.00 0.00 60.65 58.46 3fgo s ILE 222 Cb 0.02 -1.51 -0.05 0.00 0.13 0.00 0.00 42.46 41.05 3fgo s ILE 222 CO 0.27 0.49 1.43 -0.69 -1.91 0.00 0.00 174.94 174.54 3fgo s VAL 223 N 0.18 3.73 -0.17 4.00 1.01 -0.09 -0.66 120.40 128.40 3fgo s VAL 223 Ca -0.10 1.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.82 3fgo s VAL 223 Cb -0.15 -3.68 -0.22 0.00 0.00 0.00 0.00 36.38 32.33 3fgo s VAL 223 CO 0.05 -0.03 0.23 0.00 0.00 0.00 0.00 175.10 175.36 3fgo n ALA 224 N 5.80 0.90 -2.90 5.51 0.00 0.15 -1.18 120.51 128.79 3fgo n ALA 224 Ca 0.14 -0.61 -0.11 0.00 0.00 0.00 0.00 53.44 52.86 3fgo n ALA 224 Cb 0.43 -0.56 -0.07 0.00 0.00 0.00 0.00 19.45 19.26 3fgo n ALA 224 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3fgo s THR 225 N -2.48 0.10 0.32 0.00 -4.23 -0.97 -2.35 115.64 106.02 3fgo s THR 225 Ca -0.26 -0.78 0.05 0.00 -1.18 0.00 0.00 61.69 59.51 3fgo s THR 225 Cb 0.07 -1.05 -0.02 0.00 1.34 0.00 0.00 72.50 72.84 3fgo s THR 225 CO 0.68 -0.43 0.18 0.35 -0.54 0.00 0.00 174.62 174.86 3fgo n THR 226 N 0.35 0.00 -4.56 3.99 -2.24 -1.26 -1.50 114.28 109.06 3fgo n THR 226 Ca -0.18 -2.06 0.00 0.00 -2.27 0.00 0.00 64.05 59.54 3fgo n THR 226 Cb 0.61 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 3fgo n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fgo n GLY 227 N -0.46 2.36 0.00 3.38 0.00 -1.26 -2.37 105.19 106.84 3fgo n GLY 227 Ca 0.01 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.71 3fgo n GLY 227 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3fgo n VAL 228 N 0.00 0.48 -0.06 1.61 0.24 -1.26 -3.41 118.33 115.92 3fgo n VAL 228 Ca 0.00 0.12 -0.07 0.00 -2.04 0.00 0.00 64.34 62.35 3fgo n VAL 228 Cb 0.00 -0.75 0.04 0.00 -1.47 0.00 0.00 33.84 31.66 3fgo n VAL 228 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3fgo n SER 229 N -1.47 4.37 -4.43 -1.34 7.64 -1.00 -3.91 113.62 113.49 3fgo n SER 229 Ca 0.06 -2.57 -0.21 0.00 1.01 0.00 0.00 58.87 57.16 3fgo n SER 229 Cb 0.24 -0.80 -0.10 0.00 -1.01 0.00 0.00 64.21 62.54 3fgo n SER 229 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3fgo s THR 230 N -1.02 1.80 0.21 0.44 -4.23 -1.22 -4.54 115.64 107.07 3fgo s THR 230 Ca 0.16 -2.18 -0.12 0.00 -1.18 0.00 0.00 61.69 58.37 3fgo s THR 230 Cb 0.13 -2.37 0.19 0.00 1.34 0.00 0.00 72.50 71.79 3fgo s THR 230 CO 0.02 -0.36 1.66 -0.33 -0.54 0.00 0.00 174.62 175.06 3fgo h GLU 231 N 2.31 0.07 0.00 3.99 4.39 -1.92 -0.23 114.58 123.20 3fgo h GLU 231 Ca -0.40 -0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.23 3fgo h GLU 231 Cb 1.23 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 3fgo h GLU 231 CO 0.66 0.05 -0.31 0.97 -1.16 0.00 0.00 179.01 179.22 3fgo h ILE 232 N 0.07 0.98 -0.22 3.13 2.10 -1.93 -2.25 117.51 119.39 3fgo h ILE 232 Ca 0.30 -1.16 -0.09 0.00 1.08 0.00 0.00 64.86 64.99 3fgo h ILE 232 Cb 0.47 1.67 -0.01 0.00 -1.09 0.00 0.00 36.82 37.86 3fgo h ILE 232 CO -0.54 0.30 -0.26 1.23 -1.08 0.00 0.00 178.15 177.80 3fgo h GLY 233 N 1.31 0.45 1.05 8.18 0.00 -1.40 -0.06 103.07 112.61 3fgo h GLY 233 Ca -0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 3fgo h GLY 233 CO 0.04 0.34 0.09 0.50 0.00 0.00 0.00 176.54 177.51 3fgo h LYS 234 N 0.37 1.04 -0.65 4.80 1.57 -0.53 0.92 116.57 124.10 3fgo h LYS 234 Ca 0.05 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 3fgo h LYS 234 Cb 0.66 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 3fgo h LYS 234 CO 0.05 0.97 0.37 0.82 -0.57 0.00 0.00 179.45 181.09 3fgo h ILE 235 N 0.95 1.20 -0.85 1.86 2.04 -1.12 -1.47 117.51 120.12 3fgo h ILE 235 Ca 0.19 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 3fgo h ILE 235 Cb 0.45 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 3fgo h ILE 235 CO 0.01 0.21 0.41 -0.09 0.00 0.00 0.00 178.15 178.70 3fgo h ARG 236 N 0.88 1.22 -0.13 2.37 1.12 -0.48 -2.02 114.38 117.34 3fgo h ARG 236 Ca 0.23 -0.18 -0.12 0.00 -1.11 0.00 0.00 59.98 58.81 3fgo h ARG 236 Cb 0.01 -0.22 -0.01 0.00 -0.01 0.00 0.00 29.97 29.74 3fgo h ARG 236 CO -0.04 0.93 -0.43 -0.44 -3.11 0.00 0.00 179.97 176.88 3fgo h ASP 237 N 1.21 0.33 0.86 -3.80 3.45 -0.37 -1.16 116.42 116.93 3fgo h ASP 237 Ca 0.29 -0.14 -0.11 0.00 0.43 0.00 0.00 57.03 57.50 3fgo h ASP 237 Cb 0.11 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 38.77 3fgo h ASP 237 CO -0.04 0.72 -0.50 1.56 -1.57 0.00 0.00 179.24 179.41 3fgo h GLN 238 N 0.25 0.00 0.00 3.56 4.20 -0.77 -1.48 115.11 120.87 3fgo h GLN 238 Ca 0.02 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 3fgo h GLN 238 Cb 0.87 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.65 3fgo h GLN 238 CO 0.07 0.50 -0.13 0.52 -0.67 0.00 0.00 178.83 179.13 3fgo h MET 239 N 0.00 0.00 0.03 1.46 2.86 -1.15 -3.23 114.93 114.91 3fgo h MET 239 Ca -0.01 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.40 3fgo h MET 239 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 3fgo h MET 239 CO 0.07 0.13 -1.15 0.00 1.06 0.00 0.00 176.91 177.01 3fgo h ALA 240 N 1.87 0.33 -0.04 6.32 0.00 -0.73 -3.37 119.26 123.65 3fgo h ALA 240 Ca -0.00 -0.97 -0.31 0.00 0.00 0.00 0.00 54.91 53.63 3fgo h ALA 240 Cb 1.05 -0.04 0.08 0.00 0.00 0.00 0.00 17.79 18.88 3fgo h ALA 240 CO 0.02 1.22 0.73 0.00 0.00 0.00 0.00 179.25 181.21 3fgo n ALA 241 N -2.43 0.53 -2.71 0.00 0.00 -0.60 -4.84 120.51 110.46 3fgo n ALA 241 Ca -0.04 -2.48 -0.43 0.00 0.00 0.00 0.00 53.44 50.49 3fgo n ALA 241 Cb 0.97 -3.56 -0.04 0.00 0.00 0.00 0.00 19.45 16.82 3fgo n ALA 241 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3fgo s THR 242 N 11.97 4.31 -2.37 0.00 2.01 -1.26 -4.89 115.64 125.42 3fgo s THR 242 Ca 0.75 0.07 0.28 0.00 0.31 0.00 0.00 61.69 63.10 3fgo s THR 242 Cb 0.06 -4.62 0.53 0.00 0.01 0.00 0.00 72.50 68.47 3fgo s THR 242 CO 0.27 -1.30 1.75 -1.84 -0.69 0.00 0.00 174.62 172.81 3fgo n GLU 243 N 7.71 1.51 -3.43 4.92 0.28 -1.26 -4.94 120.64 125.43 3fgo n GLU 243 Ca -0.00 -0.85 -0.19 0.00 -0.16 0.00 0.00 57.16 55.96 3fgo n GLU 243 Cb 0.47 -1.48 -0.05 0.00 1.43 0.00 0.00 31.44 31.80 3fgo n GLU 243 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3fgo n GLN 244 N -0.01 -0.93 0.00 3.44 3.00 -1.26 -4.86 117.38 116.76 3fgo n GLN 244 Ca 0.18 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 3fgo n GLN 244 Cb 0.34 -2.16 0.00 0.00 0.00 0.00 0.00 30.24 28.42 3fgo n GLN 244 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3fgo n ASP 245 N -1.36 -1.53 -3.63 1.08 9.92 -1.26 -5.06 116.55 114.72 3fgo n ASP 245 Ca -0.12 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 53.99 3fgo n ASP 245 Cb 0.35 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.76 3fgo n ASP 245 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 3fgo s LYS 246 N -2.29 0.83 0.18 -1.24 -2.85 -1.26 -5.12 119.74 107.99 3fgo s LYS 246 Ca 0.00 0.73 -0.27 0.00 -1.00 0.00 0.00 55.97 55.43 3fgo s LYS 246 Cb 0.00 0.40 -0.16 0.00 -2.06 0.00 0.00 37.83 36.01 3fgo s LYS 246 CO 0.00 -0.15 0.51 2.41 0.10 0.00 0.00 175.35 178.22 3fgo n THR 247 N 2.26 1.76 -0.30 3.79 -1.04 -1.26 -4.49 114.28 115.00 3fgo n THR 247 Ca -0.15 -0.44 -0.00 0.00 -2.04 0.00 0.00 64.05 61.41 3fgo n THR 247 Cb 0.56 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.13 3fgo n THR 247 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3fgo h PRO 248 N 1.02 -0.04 -0.28 -2.82 0.11 -1.96 0.72 132.00 128.75 3fgo h PRO 248 Ca -0.27 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.75 3fgo h PRO 248 Cb 1.33 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 3fgo h PRO 248 CO 0.53 -0.03 -0.20 -0.07 -0.21 0.00 0.00 178.00 178.02 3fgo h LEU 249 N -0.05 0.51 -1.87 2.35 3.38 -1.95 0.05 115.31 117.75 3fgo h LEU 249 Ca 0.34 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3fgo h LEU 249 Cb 0.60 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3fgo h LEU 249 CO -0.86 0.73 -0.12 -0.61 0.09 0.00 0.00 178.44 177.67 3fgo h GLN 250 N 0.46 0.00 0.00 1.13 5.75 -0.67 1.32 115.11 123.11 3fgo h GLN 250 Ca 0.07 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.41 3fgo h GLN 250 Cb 0.62 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 3fgo h GLN 250 CO 0.04 0.12 -1.06 0.37 -2.65 0.00 0.00 178.83 175.65 3fgo h GLN 251 N 0.00 0.00 -0.45 1.69 5.75 0.69 -2.24 115.11 120.54 3fgo h GLN 251 Ca -0.00 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.40 3fgo h GLN 251 Cb 0.36 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 3fgo h GLN 251 CO 0.02 0.49 -0.09 0.87 -2.65 0.00 0.00 178.83 177.46 3fgo h LYS 252 N 0.00 0.86 0.34 1.69 1.79 0.12 0.98 116.57 122.36 3fgo h LYS 252 Ca -0.10 -0.32 -0.02 0.00 -2.18 0.00 0.00 60.65 58.04 3fgo h LYS 252 Cb 1.58 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 32.18 3fgo h LYS 252 CO 0.07 0.96 -0.20 -0.07 -1.08 0.00 0.00 179.45 179.13 3fgo h LEU 253 N 0.70 -0.49 -1.15 2.94 3.38 0.15 0.51 115.31 121.34 3fgo h LEU 253 Ca 0.12 0.03 0.36 0.00 0.09 0.00 0.00 57.88 58.47 3fgo h LEU 253 Cb 0.63 0.14 -0.14 0.00 0.09 0.00 0.00 40.66 41.38 3fgo h LEU 253 CO 0.04 -0.31 0.66 -0.78 0.09 0.00 0.00 178.44 178.13 3fgo h ASP 254 N -0.50 0.42 0.81 -0.43 3.58 -1.41 0.20 116.42 119.08 3fgo h ASP 254 Ca -0.05 0.17 -0.04 0.00 0.42 0.00 0.00 57.03 57.53 3fgo h ASP 254 Cb 0.40 0.13 0.01 0.00 1.72 0.00 0.00 39.33 41.59 3fgo h ASP 254 CO 0.05 -0.15 -0.39 -0.08 -2.88 0.00 0.00 179.24 175.79 3fgo h GLU 255 N 0.24 -1.05 -0.08 0.28 4.81 -0.30 -2.99 114.58 115.49 3fgo h GLU 255 Ca 0.75 0.07 0.02 0.00 -0.13 0.00 0.00 59.36 60.08 3fgo h GLU 255 Cb 1.96 0.24 -0.00 0.00 0.63 0.00 0.00 28.75 31.57 3fgo h GLU 255 CO -0.53 -0.70 0.19 0.35 -0.73 0.00 0.00 179.01 177.59 3fgo h PHE 256 N -1.25 0.00 -0.07 0.92 3.57 0.28 0.33 116.94 120.72 3fgo h PHE 256 Ca -0.11 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.41 3fgo h PHE 256 Cb 0.83 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 3fgo h PHE 256 CO 0.01 0.00 -0.07 0.78 -2.23 0.00 0.00 178.31 176.80 3fgo h GLY 257 N 0.00 -0.00 1.04 2.40 0.00 -0.63 0.26 103.07 106.13 3fgo h GLY 257 Ca 0.04 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 3fgo h GLY 257 CO -0.00 -0.08 0.43 0.83 0.00 0.00 0.00 176.54 177.72 3fgo h GLU 258 N -0.08 1.24 0.31 4.80 5.08 -0.37 -2.09 114.58 123.47 3fgo h GLU 258 Ca 0.05 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3fgo h GLU 258 Cb 0.16 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3fgo h GLU 258 CO -0.12 0.94 -0.34 1.96 -1.00 0.00 0.00 179.01 180.45 3fgo h GLN 259 N 1.24 -0.67 0.00 2.33 1.08 -0.55 -3.19 115.11 115.35 3fgo h GLN 259 Ca 0.30 0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.45 3fgo h GLN 259 Cb 0.10 0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 3fgo h GLN 259 CO -0.04 -0.44 -0.47 1.25 -0.95 0.00 0.00 178.83 178.18 3fgo h LEU 260 N -0.69 0.00 -0.26 1.46 5.85 -0.48 -2.97 115.31 118.22 3fgo h LEU 260 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3fgo h LEU 260 Cb 0.64 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.67 3fgo h LEU 260 CO -0.08 0.47 0.00 -1.54 -0.34 0.00 0.00 178.44 176.95 3fgo n SER 261 N -3.35 0.62 -0.11 1.25 3.41 -0.79 -2.44 113.62 112.20 3fgo n SER 261 Ca 0.01 0.60 -0.22 0.00 -0.26 0.00 0.00 58.87 59.00 3fgo n SER 261 Cb 0.65 -0.75 -0.12 0.00 -0.26 0.00 0.00 64.21 63.73 3fgo n SER 261 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3fgo n LYS 262 N -2.12 0.64 -0.32 4.33 4.76 -1.21 -3.76 118.16 120.48 3fgo n LYS 262 Ca 0.04 0.22 0.35 0.00 -2.87 0.00 0.00 58.31 56.05 3fgo n LYS 262 Cb 0.33 -1.55 0.75 0.00 -1.84 0.00 0.00 35.03 32.72 3fgo n LYS 262 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3fgo h VAL 263 N -0.32 0.41 0.06 -0.18 2.07 -1.45 0.25 116.25 117.09 3fgo h VAL 263 Ca -0.58 -0.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.84 3fgo h VAL 263 Cb 1.81 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3fgo h VAL 263 CO -0.17 0.00 -0.45 0.40 0.02 0.00 0.00 177.57 177.37 3fgo h ILE 264 N 0.01 1.61 -0.85 4.57 2.04 -1.67 -2.23 117.51 120.99 3fgo h ILE 264 Ca 0.56 -2.42 0.10 0.00 1.00 0.00 0.00 64.86 64.10 3fgo h ILE 264 Cb 2.23 3.23 -0.06 0.00 -0.74 0.00 0.00 36.82 41.48 3fgo h ILE 264 CO -0.01 0.64 0.55 0.77 0.00 0.00 0.00 178.15 180.10 3fgo h SER 265 N -0.72 0.73 -0.09 1.72 4.64 -0.97 0.24 113.55 119.10 3fgo h SER 265 Ca -0.09 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 3fgo h SER 265 Cb 1.30 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3fgo h SER 265 CO 0.05 0.43 -0.13 -0.07 -0.87 0.00 0.00 176.83 176.24 3fgo h LEU 266 N 0.81 0.26 -1.88 5.97 3.38 -0.72 -3.04 115.31 120.09 3fgo h LEU 266 Ca 0.39 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3fgo h LEU 266 Cb 0.44 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3fgo h LEU 266 CO -0.16 0.74 -0.09 0.40 0.09 0.00 0.00 178.44 179.42 3fgo h ILE 267 N -0.20 0.35 0.13 1.22 2.04 -0.66 -0.60 117.51 119.79 3fgo h ILE 267 Ca 0.01 -0.52 -0.25 0.00 1.00 0.00 0.00 64.86 65.09 3fgo h ILE 267 Cb 0.68 1.38 0.03 0.00 -0.74 0.00 0.00 36.82 38.17 3fgo h ILE 267 CO 0.03 0.09 -1.07 0.00 0.00 0.00 0.00 178.15 177.20 3fgo h VAL 269 N 0.00 0.05 -0.00 0.00 3.04 -1.40 -1.00 116.25 116.94 3fgo h VAL 269 Ca -0.17 -0.72 -0.22 0.00 -1.01 0.00 0.00 66.70 64.58 3fgo h VAL 269 Cb 1.79 1.68 0.02 0.00 -2.01 0.00 0.00 31.29 32.77 3fgo h VAL 269 CO 0.20 0.02 -0.85 0.00 -1.01 0.00 0.00 177.57 175.94 3fgo h ALA 270 N 1.98 0.11 0.00 3.17 0.00 -1.03 -0.44 119.26 123.05 3fgo h ALA 270 Ca -0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 3fgo h ALA 270 Cb 0.68 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3fgo h ALA 270 CO 0.00 0.54 -0.24 0.28 0.00 0.00 0.00 179.25 179.83 3fgo h VAL 271 N 0.18 1.12 0.00 0.00 2.07 -0.88 -2.77 116.25 115.96 3fgo h VAL 271 Ca -0.11 -0.82 -0.14 0.00 0.82 0.00 0.00 66.70 66.45 3fgo h VAL 271 Cb 1.52 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 3fgo h VAL 271 CO 0.17 0.23 -0.67 -0.25 0.02 0.00 0.00 177.57 177.07 3fgo h TRP 272 N 0.00 0.00 -0.11 1.57 7.01 -0.91 0.19 115.95 123.70 3fgo h TRP 272 Ca -0.00 0.00 -0.19 0.00 2.11 0.00 0.00 58.89 60.80 3fgo h TRP 272 Cb 0.43 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.49 3fgo h TRP 272 CO 0.00 0.67 -0.73 -0.07 -2.79 0.00 0.00 178.44 175.51 3fgo h LEU 273 N 0.00 0.63 0.00 0.65 3.38 -0.81 0.25 115.31 119.41 3fgo h LEU 273 Ca -0.01 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3fgo h LEU 273 Cb 1.18 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3fgo h LEU 273 CO 0.09 1.17 -0.23 -0.38 0.09 0.00 0.00 178.44 179.18 3fgo n ILE 274 N -3.87 0.16 0.06 1.22 5.41 -1.07 -0.91 119.36 120.35 3fgo n ILE 274 Ca -0.05 -0.09 0.03 0.00 1.00 0.00 0.00 62.75 63.64 3fgo n ILE 274 Cb 0.71 -0.26 -0.05 0.00 -0.71 0.00 0.00 39.64 39.33 3fgo n ILE 274 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 3fgo h ASN 275 N 0.00 0.00 0.14 4.38 -1.24 -0.42 -3.28 115.58 115.15 3fgo h ASN 275 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3fgo h ASN 275 Cb 0.58 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.63 3fgo h ASN 275 CO 0.00 0.43 -0.38 0.00 -1.29 0.00 0.00 177.43 176.19 3fgo n ILE 276 N -2.87 0.00 0.06 2.57 0.13 0.86 -3.81 119.36 116.30 3fgo n ILE 276 Ca -0.06 -0.17 -0.13 0.00 -1.10 0.00 0.00 62.75 61.29 3fgo n ILE 276 Cb 0.76 0.74 -0.08 0.00 -0.84 0.00 0.00 39.64 40.22 3fgo n ILE 276 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 3fgo h GLY 277 N 4.90 -0.13 -3.68 4.50 0.00 -1.08 -2.74 103.07 104.84 3fgo h GLY 277 Ca 0.00 0.05 -0.47 0.00 0.00 0.00 0.00 47.33 46.91 3fgo h GLY 277 CO 0.00 -0.05 0.61 -2.39 0.00 0.00 0.00 176.54 174.71 3fgo n HIS 278 N -5.02 2.33 0.57 5.60 -0.00 -1.26 -3.95 115.22 113.49 3fgo n HIS 278 Ca -0.08 -2.30 0.11 0.00 -0.00 0.00 0.00 57.72 55.45 3fgo n HIS 278 Cb 0.18 -1.12 -0.02 0.00 -0.00 0.00 0.00 29.99 29.04 3fgo n HIS 278 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 3fgo n PHE 279 N -0.34 0.20 1.27 -1.40 7.35 -1.03 -4.05 117.46 119.47 3fgo n PHE 279 Ca 0.45 0.06 0.09 0.00 -0.76 0.00 0.00 57.45 57.29 3fgo n PHE 279 Cb 0.75 -0.38 0.35 0.00 0.35 0.00 0.00 39.48 40.55 3fgo n PHE 279 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 3fgo n ASN 280 N -1.92 1.47 -2.78 -2.13 0.23 -1.25 -4.20 115.26 104.68 3fgo n ASN 280 Ca 0.02 -1.73 -0.10 0.00 -0.53 0.00 0.00 54.58 52.24 3fgo n ASN 280 Cb 0.43 -0.11 0.06 0.00 -2.08 0.00 0.00 39.78 38.08 3fgo n ASN 280 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3fgo n ASP 281 N 0.21 -0.43 -0.02 0.53 5.68 -1.26 -4.93 116.55 116.33 3fgo n ASP 281 Ca 0.15 -2.85 0.14 0.00 -0.50 0.00 0.00 54.79 51.73 3fgo n ASP 281 Cb 0.29 0.40 0.67 0.00 -1.14 0.00 0.00 41.12 41.33 3fgo n ASP 281 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 3fgo n PRO 282 N -0.11 0.36 -1.40 0.11 -0.02 -1.26 -4.89 135.00 127.79 3fgo n PRO 282 Ca 0.07 -0.05 -0.03 0.00 -2.02 0.00 0.00 63.50 61.48 3fgo n PRO 282 Cb 0.78 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.75 3fgo n PRO 282 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3fgo n VAL 283 N -1.28 -0.03 -3.52 -1.45 0.24 -1.26 -3.23 118.33 107.80 3fgo n VAL 283 Ca 0.12 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.31 3fgo n VAL 283 Cb 0.28 -0.29 -0.01 0.00 -1.47 0.00 0.00 33.84 32.35 3fgo n VAL 283 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3fgo n HIS 284 N -1.52 -0.35 -0.01 6.34 8.25 -1.26 -4.78 115.22 121.89 3fgo n HIS 284 Ca -0.03 0.06 0.02 0.00 -0.26 0.00 0.00 57.72 57.52 3fgo n HIS 284 Cb 0.19 -0.73 -0.12 0.00 1.12 0.00 0.00 29.99 30.45 3fgo n HIS 284 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fgo n GLY 285 N -1.31 -1.10 1.39 -1.41 0.00 -1.20 -4.40 105.19 97.16 3fgo n GLY 285 Ca -0.05 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.65 3fgo n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fgo n GLY 286 N 1.42 3.32 7.00 -0.02 0.00 -1.26 -5.01 105.19 110.64 3fgo n GLY 286 Ca -0.13 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3fgo n GLY 286 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fgo n SER 287 N -0.39 0.00 0.00 1.61 3.41 -1.26 -3.70 113.62 113.28 3fgo n SER 287 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 3fgo n SER 287 Cb 0.91 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 3fgo n SER 287 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3fgo n TRP 288 N 14.00 0.00 -0.21 7.33 7.02 -1.26 -4.72 117.44 139.60 3fgo n TRP 288 Ca 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3fgo n TRP 288 Cb 0.00 0.00 0.22 0.00 -2.42 0.00 0.00 31.31 29.11 3fgo n TRP 288 CO 0.00 0.00 0.00 0.97 -2.02 0.00 0.00 177.69 176.64 3fgo h ILE 289 N 0.69 1.20 -0.08 -0.99 2.10 -1.99 0.36 117.51 118.80 3fgo h ILE 289 Ca 0.00 -0.45 -0.20 0.00 1.08 0.00 0.00 64.86 65.30 3fgo h ILE 289 Cb 0.35 0.17 -0.00 0.00 -1.09 0.00 0.00 36.82 36.25 3fgo h ILE 289 CO 0.00 0.21 -0.76 0.03 -1.08 0.00 0.00 178.15 176.55 3fgo h ARG 290 N 1.01 0.48 -0.02 2.19 3.08 -1.86 -3.21 114.38 116.04 3fgo h ARG 290 Ca 0.26 -0.40 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 3fgo h ARG 290 Cb -0.04 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3fgo h ARG 290 CO -0.05 1.03 -0.25 0.78 -1.07 0.00 0.00 179.97 180.42 3fgo h GLY 291 N 1.15 0.23 1.23 0.04 0.00 -1.70 -1.47 103.07 102.55 3fgo h GLY 291 Ca -0.04 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3fgo h GLY 291 CO 0.14 0.32 0.00 0.00 0.00 0.00 0.00 176.54 176.99 3fgo n ALA 292 N -2.51 2.30 -0.06 3.60 0.00 0.07 -2.28 120.51 121.62 3fgo n ALA 292 Ca -0.09 -0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.15 3fgo n ALA 292 Cb 0.48 -1.38 -0.09 0.00 0.00 0.00 0.00 19.45 18.46 3fgo n ALA 292 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3fgo n ILE 293 N -1.12 0.81 0.27 0.00 5.41 -1.21 -4.07 119.36 119.46 3fgo n ILE 293 Ca 0.15 -0.48 0.17 0.00 1.00 0.00 0.00 62.75 63.59 3fgo n ILE 293 Cb 0.12 -0.72 0.62 0.00 -0.71 0.00 0.00 39.64 38.95 3fgo n ILE 293 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 3fgo h TYR 294 N 0.00 0.00 0.06 1.39 5.03 -1.14 -2.40 116.97 119.90 3fgo h TYR 294 Ca -0.32 0.00 -0.27 0.00 2.58 0.00 0.00 58.73 60.73 3fgo h TYR 294 Cb 1.70 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.96 3fgo h TYR 294 CO 0.00 0.00 -1.34 -0.92 -1.32 0.00 0.00 178.16 174.58 3fgo h TYR 295 N 0.00 0.23 0.02 -3.82 3.20 -1.65 -2.93 116.97 112.02 3fgo h TYR 295 Ca 0.00 -0.16 -0.19 0.00 3.14 0.00 0.00 58.73 61.52 3fgo h TYR 295 Cb 0.58 -0.01 0.02 0.00 1.54 0.00 0.00 36.73 38.86 3fgo h TYR 295 CO 0.00 1.17 -0.75 0.74 -1.64 0.00 0.00 178.16 177.68 3fgo h PHE 296 N 0.03 0.72 -1.02 -3.82 0.05 -1.69 -2.25 116.94 108.96 3fgo h PHE 296 Ca -0.15 -0.40 0.30 0.00 3.82 0.00 0.00 57.97 61.53 3fgo h PHE 296 Cb 1.92 -0.08 -0.14 0.00 2.00 0.00 0.00 35.95 39.66 3fgo h PHE 296 CO 0.03 1.23 0.60 -0.22 -0.18 0.00 0.00 178.31 179.78 3fgo h LYS 297 N -0.00 0.38 -0.07 1.51 3.64 -1.53 0.45 116.57 120.95 3fgo h LYS 297 Ca -0.10 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.18 3fgo h LYS 297 Cb 1.45 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 3fgo h LYS 297 CO 0.15 0.25 -0.26 0.82 -2.27 0.00 0.00 179.45 178.14 3fgo h ILE 298 N 0.39 1.42 -0.11 2.00 1.08 -1.44 -2.92 117.51 117.94 3fgo h ILE 298 Ca 0.70 -1.65 0.04 0.00 -0.39 0.00 0.00 64.86 63.56 3fgo h ILE 298 Cb 1.58 2.29 -0.04 0.00 -3.07 0.00 0.00 36.82 37.58 3fgo h ILE 298 CO -0.53 0.47 -0.12 0.00 -0.69 0.00 0.00 178.15 177.28 3fgo h ALA 299 N 0.44 -0.03 -0.35 1.87 0.00 -0.54 0.24 119.26 120.88 3fgo h ALA 299 Ca -0.01 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.02 3fgo h ALA 299 Cb 0.89 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3fgo h ALA 299 CO 0.05 -0.57 0.25 0.28 0.00 0.00 0.00 179.25 179.26 3fgo h VAL 300 N -0.14 0.89 0.10 0.00 2.07 -1.06 0.23 116.25 118.34 3fgo h VAL 300 Ca 0.08 -0.04 -0.27 0.00 0.82 0.00 0.00 66.70 67.28 3fgo h VAL 300 Cb 0.26 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3fgo h VAL 300 CO -0.20 0.02 -1.30 0.00 0.02 0.00 0.00 177.57 176.12 3fgo h ALA 301 N 1.82 0.21 0.16 1.67 0.00 -0.98 -2.42 119.26 119.71 3fgo h ALA 301 Ca 0.16 -0.97 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 3fgo h ALA 301 Cb 0.49 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3fgo h ALA 301 CO -0.02 1.08 -0.08 -0.07 0.00 0.00 0.00 179.25 180.17 3fgo h LEU 302 N 0.06 -0.18 -0.55 0.00 3.38 0.11 -2.05 115.31 116.08 3fgo h LEU 302 Ca -0.15 -0.35 0.11 0.00 0.09 0.00 0.00 57.88 57.58 3fgo h LEU 302 Cb 1.95 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 42.64 3fgo h LEU 302 CO 0.18 0.38 -0.21 0.00 0.09 0.00 0.00 178.44 178.87 3fgo h ALA 303 N -0.31 0.21 -0.58 1.53 0.00 -0.71 0.15 119.26 119.55 3fgo h ALA 303 Ca -0.02 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3fgo h ALA 303 Cb 0.52 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3fgo h ALA 303 CO 0.04 -0.52 0.32 0.28 0.00 0.00 0.00 179.25 179.36 3fgo h VAL 304 N -0.08 1.17 0.00 0.00 2.07 -1.50 -2.40 116.25 115.51 3fgo h VAL 304 Ca 0.25 -0.42 -0.14 0.00 0.82 0.00 0.00 66.70 67.21 3fgo h VAL 304 Cb 0.47 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3fgo h VAL 304 CO -0.60 0.19 -0.67 0.00 0.02 0.00 0.00 177.57 176.51 3fgo h ALA 305 N 1.56 0.76 0.01 1.67 0.00 -0.20 -3.33 119.26 119.73 3fgo h ALA 305 Ca 0.21 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3fgo h ALA 305 Cb 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3fgo h ALA 305 CO -0.04 0.84 -0.01 0.00 0.00 0.00 0.00 179.25 180.05 3fgo h ALA 306 N 1.33 -0.02 -2.33 0.00 0.00 -0.49 -3.41 119.26 114.34 3fgo h ALA 306 Ca -0.01 -0.34 -0.54 0.00 0.00 0.00 0.00 54.91 54.02 3fgo h ALA 306 Cb 1.29 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.09 3fgo h ALA 306 CO 0.09 -0.03 1.13 0.42 0.00 0.00 0.00 179.25 180.86 3fgo s ILE 307 N -2.22 3.27 -1.09 0.00 1.01 -0.93 -4.86 121.20 116.39 3fgo s ILE 307 Ca -0.14 0.40 -0.05 0.00 0.00 0.00 0.00 60.65 60.86 3fgo s ILE 307 Cb -0.02 -3.26 0.09 0.00 0.01 0.00 0.00 42.46 39.29 3fgo s ILE 307 CO 0.50 -0.03 2.52 -0.81 0.00 0.00 0.00 174.94 177.12 3fgo n PRO 308 N 7.06 3.98 -0.96 2.79 -0.05 -1.26 -4.89 135.00 141.67 3fgo n PRO 308 Ca 0.18 -3.10 -0.36 0.00 -0.05 0.00 0.00 63.50 60.16 3fgo n PRO 308 Cb 0.42 -2.50 0.05 0.00 -0.05 0.00 0.00 33.50 31.42 3fgo n PRO 308 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 175.50 174.60 3fgo n GLU 309 N 1.57 -0.11 0.00 0.54 0.00 -1.26 -1.48 120.64 119.90 3fgo n GLU 309 Ca 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.73 3fgo n GLU 309 Cb 0.33 -1.13 0.00 0.00 0.00 0.00 0.00 31.44 30.65 3fgo n GLU 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3fgo n GLY 310 N 3.21 2.86 0.22 -1.84 0.00 -1.26 -4.26 105.19 104.12 3fgo n GLY 310 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 3fgo n GLY 310 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fgo h LEU 311 N 0.00 -0.50 -1.60 0.99 6.46 -1.53 -1.55 115.31 117.58 3fgo h LEU 311 Ca 0.00 0.06 0.27 0.00 -0.12 0.00 0.00 57.88 58.09 3fgo h LEU 311 Cb 0.00 0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 40.04 3fgo h LEU 311 CO 0.00 -0.27 0.69 -0.65 -0.62 0.00 0.00 178.44 177.60 3fgo h PRO 312 N -0.37 0.25 0.18 5.25 0.11 -1.88 -2.19 132.00 133.35 3fgo h PRO 312 Ca 0.02 -0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.84 3fgo h PRO 312 Cb 0.37 -0.06 0.03 0.00 0.11 0.00 0.00 31.00 31.46 3fgo h PRO 312 CO -0.08 0.17 -1.17 0.00 -0.21 0.00 0.00 178.00 176.71 3fgo h ALA 313 N 1.57 -0.10 -0.36 -0.75 0.00 -1.74 -2.14 119.26 115.73 3fgo h ALA 313 Ca 0.55 -0.77 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3fgo h ALA 313 Cb 1.65 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 3fgo h ALA 313 CO -0.18 0.57 -0.08 -0.24 0.00 0.00 0.00 179.25 179.31 3fgo h VAL 314 N -0.00 1.24 0.60 0.00 3.04 -0.77 -0.66 116.25 119.70 3fgo h VAL 314 Ca -0.20 -1.02 -0.03 0.00 -1.01 0.00 0.00 66.70 64.44 3fgo h VAL 314 Cb 1.90 1.05 0.01 0.00 -2.01 0.00 0.00 31.29 32.24 3fgo h VAL 314 CO 0.22 0.34 -0.29 0.40 -1.01 0.00 0.00 177.57 177.23 3fgo h ILE 315 N 0.57 0.00 -0.98 3.17 2.04 -1.48 0.11 117.51 120.94 3fgo h ILE 315 Ca 0.11 -0.22 0.30 0.00 1.00 0.00 0.00 64.86 66.05 3fgo h ILE 315 Cb 0.49 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.42 3fgo h ILE 315 CO 0.03 0.00 0.52 0.74 0.00 0.00 0.00 178.15 179.43 3fgo h THR 316 N -1.03 0.32 -0.27 -0.27 2.02 -1.32 0.41 112.91 112.78 3fgo h THR 316 Ca -0.08 -0.11 -0.07 0.00 0.77 0.00 0.00 66.41 66.92 3fgo h THR 316 Cb 0.62 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3fgo h THR 316 CO 0.14 0.06 -0.09 0.74 0.37 0.00 0.00 175.52 176.74 3fgo h THR 317 N 0.33 1.29 0.68 3.16 2.02 -1.01 0.96 112.91 120.33 3fgo h THR 317 Ca 0.70 -1.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 3fgo h THR 317 Cb 1.55 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 69.42 3fgo h THR 317 CO -0.61 0.36 -0.42 0.00 0.37 0.00 0.00 175.52 175.22 3fgo h LEU 319 N -1.04 -1.51 -0.90 0.00 4.07 -0.77 -0.19 115.31 114.98 3fgo h LEU 319 Ca -0.09 0.23 0.05 0.00 0.08 0.00 0.00 57.88 58.16 3fgo h LEU 319 Cb 0.84 0.67 -0.06 0.00 1.08 0.00 0.00 40.66 43.19 3fgo h LEU 319 CO 0.08 -0.36 0.57 0.00 -1.08 0.00 0.00 178.44 177.65 3fgo h ALA 320 N 0.46 1.22 -0.46 1.53 0.00 -0.67 0.21 119.26 121.54 3fgo h ALA 320 Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3fgo h ALA 320 Cb 0.58 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3fgo h ALA 320 CO -0.63 0.36 0.22 -0.07 0.00 0.00 0.00 179.25 179.12 3fgo h LEU 321 N 1.06 0.61 -0.37 0.00 3.38 -0.81 -1.37 115.31 117.81 3fgo h LEU 321 Ca 0.38 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.28 3fgo h LEU 321 Cb 0.11 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 3fgo h LEU 321 CO -0.15 0.58 -0.06 1.23 0.09 0.00 0.00 178.44 180.12 3fgo h GLY 322 N 0.60 0.30 0.18 0.83 0.00 0.95 0.04 103.07 105.97 3fgo h GLY 322 Ca 0.16 0.10 0.16 0.00 0.00 0.00 0.00 47.33 47.75 3fgo h GLY 322 CO -0.02 -0.13 0.48 -0.84 0.00 0.00 0.00 176.54 176.04 3fgo h THR 323 N 0.03 0.71 -0.55 4.70 2.02 -0.28 -0.58 112.91 118.97 3fgo h THR 323 Ca 0.18 -0.22 -0.09 0.00 0.77 0.00 0.00 66.41 67.05 3fgo h THR 323 Cb 0.27 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 3fgo h THR 323 CO -0.36 0.12 -0.01 0.03 0.37 0.00 0.00 175.52 175.67 3fgo h ARG 324 N 0.66 0.95 -0.43 6.66 3.08 0.08 -0.43 114.38 124.95 3fgo h ARG 324 Ca 0.50 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 60.22 3fgo h ARG 324 Cb 0.74 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 3fgo h ARG 324 CO -0.38 0.95 0.10 0.00 -1.07 0.00 0.00 179.97 179.57 3fgo h ARG 325 N 0.87 0.69 -0.14 0.04 3.08 -0.05 -2.98 114.38 115.89 3fgo h ARG 325 Ca 0.16 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3fgo h ARG 325 Cb 0.53 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3fgo h ARG 325 CO 0.03 0.70 -0.31 0.52 -1.07 0.00 0.00 179.97 179.84 3fgo h MET 326 N 0.56 0.28 0.00 0.04 2.86 -0.91 -2.19 114.93 115.56 3fgo h MET 326 Ca 0.13 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 3fgo h MET 326 Cb 0.32 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 3fgo h MET 326 CO 0.00 0.56 -0.10 0.00 1.06 0.00 0.00 176.91 178.44 3fgo h ALA 327 N 1.44 1.61 0.00 6.32 0.00 -0.84 -0.26 119.26 127.53 3fgo h ALA 327 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3fgo h ALA 327 Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3fgo h ALA 327 CO 0.05 0.12 0.00 0.87 0.00 0.00 0.00 179.25 180.29 3fgo h LYS 328 N 0.00 0.00 -0.04 0.00 1.57 -1.27 -1.95 116.57 114.87 3fgo h LYS 328 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fgo h LYS 328 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3fgo h LYS 328 CO 0.01 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.52 3fgo n LYS 329 N -2.95 1.63 -1.23 3.15 5.02 -0.56 -4.94 118.16 118.27 3fgo n LYS 329 Ca 0.03 -0.92 0.00 0.00 -2.02 0.00 0.00 58.31 55.41 3fgo n LYS 329 Cb 0.45 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 3fgo n LYS 329 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fgo n ASN 330 N 0.11 -2.28 -4.47 4.39 3.02 -0.73 -4.94 115.26 110.35 3fgo n ASN 330 Ca 0.19 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.31 3fgo n ASN 330 Cb 0.33 -0.47 -0.09 0.00 -0.61 0.00 0.00 39.78 38.93 3fgo n ASN 330 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fgo s ALA 331 N -2.00 3.46 -0.56 5.41 0.00 -0.22 -0.46 121.76 127.40 3fgo s ALA 331 Ca 0.00 -1.63 -0.22 0.00 0.00 0.00 0.00 51.96 50.11 3fgo s ALA 331 Cb 0.00 -2.96 0.06 0.00 0.00 0.00 0.00 23.12 20.22 3fgo s ALA 331 CO 0.00 -1.51 0.83 0.42 0.00 0.00 0.00 175.76 175.50 3fgo s ILE 332 N 1.87 4.56 -0.10 0.00 1.01 -0.06 -2.64 121.20 125.84 3fgo s ILE 332 Ca 0.08 -0.15 -0.25 0.00 0.00 0.00 0.00 60.65 60.33 3fgo s ILE 332 Cb -0.18 -4.48 -0.03 0.00 0.01 0.00 0.00 42.46 37.78 3fgo s ILE 332 CO 0.12 -1.07 0.78 -0.69 0.00 0.00 0.00 174.94 174.07 3fgo s VAL 333 N 3.47 4.96 -1.79 2.92 1.01 -1.26 -1.23 120.40 128.48 3fgo s VAL 333 Ca 0.23 1.58 0.21 0.00 0.00 0.00 0.00 61.98 64.00 3fgo s VAL 333 Cb -0.16 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 3fgo s VAL 333 CO 0.15 0.15 1.01 0.54 0.00 0.00 0.00 175.10 176.95 3fgo n ARG 334 N 4.37 1.22 -3.65 2.72 1.74 0.18 -4.83 116.66 118.41 3fgo n ARG 334 Ca 0.02 -0.84 -0.22 0.00 -0.77 0.00 0.00 57.85 56.04 3fgo n ARG 334 Cb 0.50 -1.43 -0.17 0.00 -1.02 0.00 0.00 32.46 30.34 3fgo n ARG 334 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3fgo s SER 335 N -2.41 1.48 0.18 0.55 0.15 -1.21 -4.94 113.70 107.51 3fgo s SER 335 Ca 0.16 -0.12 -0.16 0.00 0.70 0.00 0.00 55.95 56.53 3fgo s SER 335 Cb 0.17 -0.13 0.14 0.00 -1.71 0.00 0.00 66.02 64.48 3fgo s SER 335 CO 0.57 -0.28 1.65 -0.07 1.20 0.00 0.00 173.24 176.31 3fgo h LEU 336 N 8.43 -0.49 -1.63 3.45 4.07 -1.88 -2.24 115.31 125.01 3fgo h LEU 336 Ca -0.13 0.15 0.06 0.00 0.08 0.00 0.00 57.88 58.04 3fgo h LEU 336 Cb 1.13 0.31 -0.03 0.00 1.08 0.00 0.00 40.66 43.15 3fgo h LEU 336 CO 0.19 -0.17 0.35 -0.65 -1.08 0.00 0.00 178.44 177.08 3fgo h PRO 337 N -0.02 0.44 -0.14 1.13 0.11 -1.96 -3.06 132.00 128.50 3fgo h PRO 337 Ca 0.23 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.35 3fgo h PRO 337 Cb 0.37 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 3fgo h PRO 337 CO -0.50 0.29 0.11 0.77 -0.21 0.00 0.00 178.00 178.46 3fgo h SER 338 N 0.46 0.00 -0.21 -2.05 0.02 -1.77 -1.89 113.55 108.10 3fgo h SER 338 Ca 0.23 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.24 3fgo h SER 338 Cb 0.32 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3fgo h SER 338 CO -0.06 0.00 0.30 1.62 -1.14 0.00 0.00 176.83 177.55 3fgo h VAL 339 N 0.00 0.32 0.00 2.27 3.04 -1.67 -2.30 116.25 117.91 3fgo h VAL 339 Ca 0.07 0.00 -0.22 0.00 -1.01 0.00 0.00 66.70 65.54 3fgo h VAL 339 Cb 0.28 0.75 -0.04 0.00 -2.01 0.00 0.00 31.29 30.27 3fgo h VAL 339 CO -0.00 0.00 -1.84 1.21 -1.01 0.00 0.00 177.57 175.93 3fgo n GLU 340 N -3.55 1.57 -0.17 4.17 0.00 -0.73 -3.75 120.64 118.18 3fgo n GLU 340 Ca 0.03 0.02 0.22 0.00 0.00 0.00 0.00 57.16 57.43 3fgo n GLU 340 Cb 0.42 -1.31 0.61 0.00 0.00 0.00 0.00 31.44 31.16 3fgo n GLU 340 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 3fgo h THR 341 N 0.00 0.66 -0.14 6.31 2.02 -1.15 -0.71 112.91 119.90 3fgo h THR 341 Ca -0.33 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 3fgo h THR 341 Cb 1.68 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 3fgo h THR 341 CO -0.00 0.04 -0.14 0.25 0.37 0.00 0.00 175.52 176.04 3fgo h LEU 342 N 0.20 0.20 -1.11 2.58 6.46 -1.73 -2.84 115.31 119.08 3fgo h LEU 342 Ca 0.41 -0.04 0.11 0.00 -0.12 0.00 0.00 57.88 58.24 3fgo h LEU 342 Cb 1.29 -0.05 -0.08 0.00 -0.73 0.00 0.00 40.66 41.09 3fgo h LEU 342 CO -0.08 0.36 0.61 1.23 -0.62 0.00 0.00 178.44 179.94 3fgo h GLY 343 N 0.73 1.47 -1.50 3.75 0.00 -1.29 -1.18 103.07 105.05 3fgo h GLY 343 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3fgo h GLY 343 CO 0.02 0.17 0.00 0.00 0.00 0.00 0.00 176.54 176.74 3fgo s THR 345 N -1.50 2.21 -0.01 0.00 2.01 -0.45 -4.56 115.64 113.35 3fgo s THR 345 Ca 0.31 0.19 0.04 0.00 0.31 0.00 0.00 61.69 62.54 3fgo s THR 345 Cb 0.16 -3.12 -0.06 0.00 0.01 0.00 0.00 72.50 69.49 3fgo s THR 345 CO 0.22 0.04 0.08 -1.54 -0.69 0.00 0.00 174.62 172.73 3fgo n SER 346 N 1.44 4.01 -3.90 3.53 3.41 -0.45 -4.73 113.62 116.94 3fgo n SER 346 Ca 0.05 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.46 3fgo n SER 346 Cb 0.39 1.06 -0.16 0.00 -0.26 0.00 0.00 64.21 65.24 3fgo n SER 346 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3fgo s VAL 347 N -2.26 0.51 -0.30 -3.33 1.01 -1.20 -1.61 120.40 113.22 3fgo s VAL 347 Ca -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 3fgo s VAL 347 Cb 0.02 -0.52 0.05 0.00 0.00 0.00 0.00 36.38 35.93 3fgo s VAL 347 CO 0.18 0.21 -0.01 -0.63 0.00 0.00 0.00 175.10 174.84 3fgo s ILE 348 N 0.75 2.92 0.28 2.22 1.01 0.10 -0.90 121.20 127.58 3fgo s ILE 348 Ca -0.10 -1.40 -0.23 0.00 0.00 0.00 0.00 60.65 58.93 3fgo s ILE 348 Cb -0.13 -2.68 -0.09 0.00 0.01 0.00 0.00 42.46 39.57 3fgo s ILE 348 CO 0.00 -0.09 0.84 0.00 0.00 0.00 0.00 174.94 175.69 3fgo s SER 350 N -1.67 -0.01 0.73 0.00 0.15 0.18 -0.87 113.70 112.21 3fgo s SER 350 Ca 0.47 0.14 -0.16 0.00 0.70 0.00 0.00 55.95 57.11 3fgo s SER 350 Cb -0.17 0.05 0.04 0.00 -1.71 0.00 0.00 66.02 64.22 3fgo s SER 350 CO 0.22 -0.12 1.25 -0.62 1.20 0.00 0.00 173.24 175.17 3fgo s ASP 351 N 0.97 4.08 0.00 5.45 2.15 0.51 0.26 116.67 130.08 3fgo s ASP 351 Ca -0.08 2.49 0.00 0.00 0.43 0.00 0.00 52.55 55.39 3fgo s ASP 351 Cb -0.11 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 3fgo s ASP 351 CO -0.04 -2.35 0.00 1.17 -0.17 0.00 0.00 175.17 173.79 3fgo n LYS 352 N -2.63 0.00 -1.62 4.34 4.81 -1.26 -3.20 118.16 118.60 3fgo n LYS 352 Ca 0.15 0.14 -0.45 0.00 -0.87 0.00 0.00 58.31 57.27 3fgo n LYS 352 Cb 0.49 -0.52 -0.04 0.00 0.02 0.00 0.00 35.03 34.98 3fgo n LYS 352 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3fgo n THR 353 N -1.56 0.53 -0.54 3.15 -1.04 -1.26 -0.01 114.28 113.55 3fgo n THR 353 Ca 0.00 -0.25 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 3fgo n THR 353 Cb 0.00 -2.22 0.00 0.00 -1.82 0.00 0.00 70.33 66.29 3fgo n THR 353 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fgo n GLY 354 N 5.11 1.32 0.30 3.41 0.00 -0.86 -4.81 105.19 109.65 3fgo n GLY 354 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3fgo n GLY 354 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fgo n THR 355 N -2.00 0.00 0.14 2.61 -1.04 0.30 -4.75 114.28 109.54 3fgo n THR 355 Ca 0.00 0.05 0.01 0.00 -2.04 0.00 0.00 64.05 62.07 3fgo n THR 355 Cb 0.00 -0.82 0.33 0.00 -1.82 0.00 0.00 70.33 68.02 3fgo n THR 355 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3fgo h LEU 356 N 0.00 0.13 -9.99 -4.42 4.07 -0.40 -3.46 115.31 101.24 3fgo h LEU 356 Ca 0.00 -0.04 -0.60 0.00 0.08 0.00 0.00 57.88 57.32 3fgo h LEU 356 Cb 0.00 -0.04 -0.09 0.00 1.08 0.00 0.00 40.66 41.61 3fgo h LEU 356 CO 0.00 0.46 -0.47 0.42 -1.08 0.00 0.00 178.44 177.77 3fgo s THR 357 N -4.32 1.94 -0.99 0.22 -4.23 -0.92 -1.36 115.64 106.00 3fgo s THR 357 Ca -0.04 -1.73 0.26 0.00 -1.18 0.00 0.00 61.69 58.99 3fgo s THR 357 Cb 0.14 -2.68 0.05 0.00 1.34 0.00 0.00 72.50 71.36 3fgo s THR 357 CO 0.74 0.00 1.51 0.35 -0.54 0.00 0.00 174.62 176.69 3fgo n THR 358 N -1.33 0.02 -3.65 3.99 -2.24 -0.43 -2.04 114.28 108.60 3fgo n THR 358 Ca -0.05 -0.01 -0.27 0.00 -2.27 0.00 0.00 64.05 61.45 3fgo n THR 358 Cb 0.65 0.08 0.04 0.00 -2.10 0.00 0.00 70.33 69.00 3fgo n THR 358 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3fgo n ASN 359 N -1.53 -5.31 -3.65 3.42 5.15 -1.26 -4.64 115.26 107.44 3fgo n ASN 359 Ca 0.06 -0.61 -0.28 0.00 -0.60 0.00 0.00 54.58 53.15 3fgo n ASN 359 Cb 0.34 -4.24 -0.16 0.00 -0.53 0.00 0.00 39.78 35.19 3fgo n ASN 359 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3fgo s GLN 360 N -6.35 0.41 0.18 1.20 -0.21 -1.26 -4.94 119.66 108.69 3fgo s GLN 360 Ca 0.57 -0.52 -0.31 0.00 0.02 0.00 0.00 55.36 55.12 3fgo s GLN 360 Cb -0.28 -1.75 -0.10 0.00 1.00 0.00 0.00 33.01 31.89 3fgo s GLN 360 CO 0.70 -0.83 1.51 1.41 -2.12 0.00 0.00 175.29 175.97 3fgo s MET 361 N 1.94 4.24 -0.07 2.91 -2.45 -1.26 -4.44 119.30 120.16 3fgo s MET 361 Ca 0.05 2.32 0.01 0.00 -1.25 0.00 0.00 55.69 56.81 3fgo s MET 361 Cb -0.17 -3.15 0.02 0.00 1.25 0.00 0.00 34.83 32.79 3fgo s MET 361 CO -0.20 -0.54 -0.07 -1.12 1.05 0.00 0.00 175.02 174.14 3fgo s SER 362 N 0.91 1.59 -0.13 1.11 0.01 -0.16 -4.29 113.70 112.74 3fgo s SER 362 Ca 0.66 -0.22 -0.29 0.00 1.31 0.00 0.00 55.95 57.42 3fgo s SER 362 Cb -0.43 -0.66 -0.02 0.00 0.21 0.00 0.00 66.02 65.12 3fgo s SER 362 CO 0.35 -0.07 1.35 -0.69 0.41 0.00 0.00 173.24 174.59 3fgo s VAL 363 N 1.20 4.11 0.00 3.43 1.01 -1.26 -1.70 120.40 127.19 3fgo s VAL 363 Ca -0.06 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.27 3fgo s VAL 363 Cb -0.14 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.37 3fgo s VAL 363 CO -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 175.10 174.97 3fgo s LYS 365 N -0.98 0.31 0.11 0.00 1.02 -1.10 -1.17 119.74 117.93 3fgo s LYS 365 Ca 0.00 -0.36 -0.16 0.00 0.02 0.00 0.00 55.97 55.47 3fgo s LYS 365 Cb 0.00 0.12 0.03 0.00 -0.52 0.00 0.00 37.83 37.47 3fgo s LYS 365 CO 0.00 -0.06 0.39 0.00 -0.92 0.00 0.00 175.35 174.75 3fgo s MET 366 N -1.06 1.03 0.03 1.68 0.23 -0.40 -0.75 119.30 120.06 3fgo s MET 366 Ca -0.12 -0.67 -0.10 0.00 -1.03 0.00 0.00 55.69 53.77 3fgo s MET 366 Cb -0.07 0.45 0.01 0.00 -1.53 0.00 0.00 34.83 33.69 3fgo s MET 366 CO 0.00 -0.39 0.21 -0.59 -2.03 0.00 0.00 175.02 172.22 3fgo s PHE 367 N -3.60 0.01 0.47 3.16 -0.71 -0.14 -0.49 117.98 116.68 3fgo s PHE 367 Ca 0.02 -0.17 0.02 0.00 -1.04 0.00 0.00 56.93 55.76 3fgo s PHE 367 Cb 0.02 -0.00 -0.01 0.00 -1.21 0.00 0.00 43.02 41.81 3fgo s PHE 367 CO -0.10 -0.42 0.08 0.44 -1.34 0.00 0.00 175.22 173.88 3fgo n ILE 368 N 0.84 0.00 -3.50 -4.49 -5.35 -0.66 -1.31 119.36 104.88 3fgo n ILE 368 Ca -0.20 -2.46 -0.37 0.00 -0.27 0.00 0.00 62.75 59.46 3fgo n ILE 368 Cb 0.58 0.71 -0.08 0.00 -1.74 0.00 0.00 39.64 39.11 3fgo n ILE 368 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3fgo s ILE 369 N -3.02 5.27 -0.17 7.28 -1.09 -1.26 -0.56 121.20 127.64 3fgo s ILE 369 Ca 0.12 0.50 -0.21 0.00 -2.23 0.00 0.00 60.65 58.83 3fgo s ILE 369 Cb 0.01 -3.64 -0.22 0.00 -1.58 0.00 0.00 42.46 37.03 3fgo s ILE 369 CO 0.08 0.30 0.38 -0.78 -1.23 0.00 0.00 174.94 173.69 3fgo h ASP 370 N 7.34 0.10 -5.00 3.58 -0.00 -1.35 -3.35 116.42 117.73 3fgo h ASP 370 Ca -0.37 -0.68 -0.09 0.00 -0.00 0.00 0.00 57.03 55.89 3fgo h ASP 370 Cb 1.16 -0.03 -0.19 0.00 -0.00 0.00 0.00 39.33 40.27 3fgo h ASP 370 CO 0.70 1.46 -0.07 -1.59 -0.00 0.00 0.00 179.24 179.74 3fgo s LYS 371 N -2.37 0.86 -0.24 0.28 -2.85 -1.17 -4.73 119.74 109.52 3fgo s LYS 371 Ca -0.25 -0.04 0.02 0.00 -1.00 0.00 0.00 55.97 54.69 3fgo s LYS 371 Cb 0.04 0.39 0.06 0.00 -2.06 0.00 0.00 37.83 36.26 3fgo s LYS 371 CO 0.65 -0.26 -0.09 0.08 0.10 0.00 0.00 175.35 175.83 3fgo s VAL 372 N -1.45 1.85 -0.94 1.79 1.01 -1.26 -0.28 120.40 121.12 3fgo s VAL 372 Ca -0.11 -1.36 -0.03 0.00 0.00 0.00 0.00 61.98 60.48 3fgo s VAL 372 Cb -0.03 -2.00 0.24 0.00 0.00 0.00 0.00 36.38 34.59 3fgo s VAL 372 CO 0.05 0.00 0.89 -0.67 0.00 0.00 0.00 175.10 175.37 3fgo n ASP 373 N 4.57 4.56 0.00 3.32 4.64 -0.03 -4.97 116.55 128.63 3fgo n ASP 373 Ca -0.14 -3.14 0.00 0.00 -1.38 0.00 0.00 54.79 50.13 3fgo n ASP 373 Cb 0.44 -1.11 0.00 0.00 -1.04 0.00 0.00 41.12 39.41 3fgo n ASP 373 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3fgo n GLY 374 N 2.27 0.99 0.08 0.27 0.00 -1.26 -2.46 105.19 105.08 3fgo n GLY 374 Ca 0.23 0.44 -0.09 0.00 0.00 0.00 0.00 46.02 46.60 3fgo n GLY 374 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fgo n ASP 375 N 3.84 1.30 -4.82 1.61 10.43 -1.26 -4.92 116.55 122.73 3fgo n ASP 375 Ca 0.00 -0.02 -0.33 0.00 2.57 0.00 0.00 54.79 57.01 3fgo n ASP 375 Cb 0.00 0.66 -0.07 0.00 1.84 0.00 0.00 41.12 43.55 3fgo n ASP 375 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 3fgo s PHE 376 N -2.39 3.33 -0.16 1.24 5.36 -1.03 -4.29 117.98 120.05 3fgo s PHE 376 Ca -0.12 1.54 -0.04 0.00 -0.96 0.00 0.00 56.93 57.35 3fgo s PHE 376 Cb 0.05 -2.79 0.06 0.00 -0.34 0.00 0.00 43.02 40.00 3fgo s PHE 376 CO 0.62 -0.06 0.11 0.00 -1.46 0.00 0.00 175.22 174.43 3fgo s SER 378 N 2.17 6.27 0.14 0.00 0.15 0.62 -5.01 113.70 118.04 3fgo s SER 378 Ca 0.03 0.30 -0.12 0.00 0.70 0.00 0.00 55.95 56.87 3fgo s SER 378 Cb -0.15 -2.19 -0.07 0.00 -1.71 0.00 0.00 66.02 61.90 3fgo s SER 378 CO -0.09 -0.09 0.49 -0.76 1.20 0.00 0.00 173.24 174.00 3fgo s LEU 379 N 1.60 4.31 -0.41 3.45 1.43 -1.26 -0.96 118.68 126.83 3fgo s LEU 379 Ca 0.14 0.94 -0.08 0.00 -1.03 0.00 0.00 54.13 54.10 3fgo s LEU 379 Cb -0.15 -3.26 0.08 0.00 0.03 0.00 0.00 46.19 42.89 3fgo s LEU 379 CO 0.08 0.09 0.24 0.21 0.23 0.00 0.00 176.35 177.20 3fgo s ASN 380 N -1.88 5.57 -0.05 2.29 3.84 0.27 -4.76 114.94 120.21 3fgo s ASN 380 Ca 0.38 -1.54 -0.08 0.00 0.21 0.00 0.00 52.86 51.84 3fgo s ASN 380 Cb -0.14 -1.96 -0.04 0.00 -0.55 0.00 0.00 41.25 38.56 3fgo s ASN 380 CO 0.19 -0.52 0.23 -1.61 -2.79 0.00 0.00 177.10 172.60 3fgo s GLU 381 N 1.39 3.56 0.12 0.43 2.02 -1.26 -1.65 118.70 123.31 3fgo s GLU 381 Ca 0.03 -0.04 0.05 0.00 0.02 0.00 0.00 54.97 55.03 3fgo s GLU 381 Cb -0.23 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 3fgo s GLU 381 CO 0.01 0.72 -0.12 -0.06 0.02 0.00 0.00 175.26 175.83 3fgo s PHE 382 N -1.14 1.30 0.20 1.61 0.40 0.36 -4.66 117.98 116.05 3fgo s PHE 382 Ca 0.21 -0.61 0.09 0.00 -0.60 0.00 0.00 56.93 56.03 3fgo s PHE 382 Cb -0.13 -0.68 -0.04 0.00 0.51 0.00 0.00 43.02 42.67 3fgo s PHE 382 CO 0.10 0.11 -0.08 -1.54 0.70 0.00 0.00 175.22 174.51 3fgo s SER 383 N -2.56 4.27 -0.03 1.36 1.04 -0.39 -1.27 113.70 116.12 3fgo s SER 383 Ca 0.09 -0.62 0.05 0.00 0.48 0.00 0.00 55.95 55.95 3fgo s SER 383 Cb -0.03 -0.72 -0.01 0.00 0.10 0.00 0.00 66.02 65.36 3fgo s SER 383 CO 0.02 0.08 -0.16 -0.63 0.98 0.00 0.00 173.24 173.53 3fgo s ILE 384 N -1.88 1.33 0.40 -1.02 1.09 -0.31 0.34 121.20 121.14 3fgo s ILE 384 Ca 0.26 -0.69 0.08 0.00 -1.10 0.00 0.00 60.65 59.20 3fgo s ILE 384 Cb -0.08 -1.13 -0.00 0.00 -1.06 0.00 0.00 42.46 40.19 3fgo s ILE 384 CO 0.16 0.38 0.50 0.42 -0.10 0.00 0.00 174.94 176.30 3fgo s THR 385 N -0.15 3.14 0.00 2.92 -4.23 -0.24 -4.50 115.64 112.59 3fgo s THR 385 Ca 0.01 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 3fgo s THR 385 Cb -0.09 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.67 3fgo s THR 385 CO 0.01 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 3fgo n GLY 386 N -1.73 2.27 0.00 3.99 0.00 -1.26 -4.07 105.19 104.39 3fgo n GLY 386 Ca 0.05 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3fgo n GLY 386 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3fgo n SER 387 N 0.00 0.23 -4.25 1.61 7.64 -1.26 -4.95 113.62 112.65 3fgo n SER 387 Ca 0.00 -1.10 -0.28 0.00 1.01 0.00 0.00 58.87 58.50 3fgo n SER 387 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 3fgo n SER 387 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3fgo s THR 388 N -0.10 0.68 -0.79 0.44 -4.23 -1.26 -4.65 115.64 105.73 3fgo s THR 388 Ca 0.00 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.73 3fgo s THR 388 Cb 0.00 -2.25 0.21 0.00 1.34 0.00 0.00 72.50 71.81 3fgo s THR 388 CO 0.00 0.00 1.69 -1.22 -0.54 0.00 0.00 174.62 174.55 3fgo n TYR 389 N -1.03 0.43 -1.74 3.99 4.01 -1.26 -4.80 117.16 116.76 3fgo n TYR 389 Ca -0.10 0.15 -0.42 0.00 -0.16 0.00 0.00 57.90 57.37 3fgo n TYR 389 Cb 0.65 -0.75 -0.01 0.00 -0.31 0.00 0.00 39.34 38.92 3fgo n TYR 389 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3fgo n ALA 390 N -1.64 2.28 -1.64 -0.72 0.00 -1.26 -4.79 120.51 112.74 3fgo n ALA 390 Ca 0.04 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.45 3fgo n ALA 390 Cb 0.27 -2.42 -0.01 0.00 0.00 0.00 0.00 19.45 17.28 3fgo n ALA 390 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3fgo n PRO 391 N 1.82 3.42 -4.20 0.00 -0.04 -1.26 -4.77 135.00 129.96 3fgo n PRO 391 Ca 0.08 -2.60 -0.26 0.00 -0.04 0.00 0.00 63.50 60.68 3fgo n PRO 391 Cb 0.36 -3.00 -0.17 0.00 -0.04 0.00 0.00 33.50 30.66 3fgo n PRO 391 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3fgo s GLU 392 N 2.14 1.65 0.00 0.54 2.02 -1.26 -4.71 118.70 119.08 3fgo s GLU 392 Ca 0.56 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.21 3fgo s GLU 392 Cb 0.16 -1.54 0.00 0.00 0.10 0.00 0.00 34.13 32.85 3fgo s GLU 392 CO -0.07 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.48 3fgo n GLY 393 N 4.44 2.91 3.25 -1.39 0.00 -1.26 -4.34 105.19 108.80 3fgo n GLY 393 Ca -0.17 -1.51 -0.14 0.00 0.00 0.00 0.00 46.02 44.19 3fgo n GLY 393 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3fgo s GLU 394 N -2.04 1.09 -0.10 1.61 -1.05 -1.26 -4.86 118.70 112.09 3fgo s GLU 394 Ca 0.00 -1.48 -0.20 0.00 -0.15 0.00 0.00 54.97 53.13 3fgo s GLU 394 Cb 0.00 -0.55 -0.04 0.00 -0.44 0.00 0.00 34.13 33.10 3fgo s GLU 394 CO 0.00 0.02 0.57 0.08 0.95 0.00 0.00 175.26 176.88 3fgo s VAL 395 N -3.40 5.13 0.04 1.83 1.01 -1.26 -1.08 120.40 122.66 3fgo s VAL 395 Ca 0.19 1.15 0.08 0.00 0.00 0.00 0.00 61.98 63.39 3fgo s VAL 395 Cb 0.04 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3fgo s VAL 395 CO 0.02 0.28 -0.21 -0.76 0.00 0.00 0.00 175.10 174.43 3fgo s LEU 396 N 0.77 2.45 -0.17 3.92 1.43 0.15 -1.93 118.68 125.31 3fgo s LEU 396 Ca 0.30 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 3fgo s LEU 396 Cb -0.16 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.65 3fgo s LEU 396 CO 0.13 0.26 -0.18 -0.75 0.23 0.00 0.00 176.35 176.04 3fgo s LYS 397 N -1.34 2.74 -1.64 1.70 2.36 0.41 -1.26 119.74 122.72 3fgo s LYS 397 Ca 0.13 -0.77 -0.17 0.00 -2.55 0.00 0.00 55.97 52.61 3fgo s LYS 397 Cb -0.10 -2.45 0.13 0.00 -1.05 0.00 0.00 37.83 34.36 3fgo s LYS 397 CO 0.04 -0.24 0.88 0.09 1.55 0.00 0.00 175.35 177.67 3fgo n ASN 398 N 4.66 -4.01 0.00 1.43 3.02 -1.26 -1.64 115.26 117.46 3fgo n ASN 398 Ca -0.19 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 3fgo n ASN 398 Cb 0.50 -3.24 0.00 0.00 -0.61 0.00 0.00 39.78 36.43 3fgo n ASN 398 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3fgo n ASP 399 N -2.73 -3.04 -4.42 6.41 8.00 -1.26 -5.00 116.55 114.52 3fgo n ASP 399 Ca 0.07 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.26 3fgo n ASP 399 Cb 0.50 -1.15 -0.14 0.00 -0.02 0.00 0.00 41.12 40.32 3fgo n ASP 399 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3fgo s LYS 400 N -0.46 2.13 0.40 -1.24 1.02 -0.65 -5.03 119.74 115.91 3fgo s LYS 400 Ca 0.00 -0.93 -0.26 0.00 0.02 0.00 0.00 55.97 54.80 3fgo s LYS 400 Cb 0.00 -2.17 -0.09 0.00 -0.52 0.00 0.00 37.83 35.06 3fgo s LYS 400 CO 0.00 0.56 1.27 -2.14 -0.92 0.00 0.00 175.35 174.11 3fgo s PRO 401 N -1.10 3.99 0.20 -1.68 0.02 -1.26 -0.44 135.00 134.73 3fgo s PRO 401 Ca 0.13 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.22 3fgo s PRO 401 Cb -0.10 -2.74 -0.04 0.00 0.02 0.00 0.00 34.50 31.63 3fgo s PRO 401 CO 0.02 -0.45 0.09 0.96 -0.33 0.00 0.00 177.00 177.30 3fgo s ILE 402 N -1.30 0.28 -0.31 2.83 -5.25 -0.81 -4.83 121.20 111.81 3fgo s ILE 402 Ca 0.57 -1.98 -0.13 0.00 -0.99 0.00 0.00 60.65 58.12 3fgo s ILE 402 Cb -0.36 -2.41 -0.03 0.00 2.95 0.00 0.00 42.46 42.61 3fgo s ILE 402 CO 0.46 -0.15 0.26 -0.13 -1.79 0.00 0.00 174.94 173.59 3fgo s ARG 403 N -4.07 3.76 0.41 0.37 0.52 -1.26 -4.60 118.95 114.08 3fgo s ARG 403 Ca 0.34 -0.37 0.09 0.00 -0.52 0.00 0.00 55.73 55.27 3fgo s ARG 403 Cb 0.07 -3.73 0.90 0.00 0.52 0.00 0.00 34.95 32.72 3fgo s ARG 403 CO 0.10 -0.33 2.01 0.77 0.02 0.00 0.00 175.30 177.87 3fgo h SER 404 N 8.39 0.47 0.13 0.23 0.02 -1.87 -1.73 113.55 119.18 3fgo h SER 404 Ca -0.33 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3fgo h SER 404 Cb 1.17 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.60 3fgo h SER 404 CO 0.61 0.31 0.00 1.23 -1.14 0.00 0.00 176.83 177.85 3fgo h GLY 405 N 0.54 0.00 1.15 -3.77 0.00 -1.81 -1.36 103.07 97.82 3fgo h GLY 405 Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.67 3fgo h GLY 405 CO -0.06 0.00 0.31 1.46 0.00 0.00 0.00 176.54 178.25 3fgo h GLN 406 N 0.00 0.00 -5.01 4.80 1.08 -1.62 -3.41 115.11 110.94 3fgo h GLN 406 Ca 0.00 0.00 -0.66 0.00 -1.45 0.00 0.00 58.65 56.54 3fgo h GLN 406 Cb 0.06 0.00 -0.30 0.00 -0.05 0.00 0.00 27.48 27.19 3fgo h GLN 406 CO 0.00 0.00 -0.77 -0.06 -0.95 0.00 0.00 178.83 177.05 3fgo s PHE 407 N -4.88 2.90 0.36 2.96 0.08 -0.51 -4.98 117.98 113.90 3fgo s PHE 407 Ca -0.05 -1.17 0.05 0.00 0.12 0.00 0.00 56.93 55.88 3fgo s PHE 407 Cb 0.18 -2.05 0.71 0.00 -0.57 0.00 0.00 43.02 41.29 3fgo s PHE 407 CO 0.66 -0.63 1.96 -0.44 -0.10 0.00 0.00 175.22 176.67 3fgo h ASP 408 N 8.06 0.69 -0.18 1.36 5.19 -1.86 -0.68 116.42 129.01 3fgo h ASP 408 Ca -0.43 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 55.91 3fgo h ASP 408 Cb 1.15 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.50 3fgo h ASP 408 CO 0.61 0.46 -0.11 1.23 -3.12 0.00 0.00 179.24 178.31 3fgo h GLY 409 N 0.79 0.59 1.39 2.75 0.00 -1.94 -1.76 103.07 104.89 3fgo h GLY 409 Ca 0.31 -0.41 -0.17 0.00 0.00 0.00 0.00 47.33 47.06 3fgo h GLY 409 CO -0.10 0.38 -0.55 1.41 0.00 0.00 0.00 176.54 177.68 3fgo h LEU 410 N 0.50 0.71 -0.84 3.11 3.38 -1.43 0.09 115.31 120.83 3fgo h LEU 410 Ca 0.09 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.72 3fgo h LEU 410 Cb 0.50 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3fgo h LEU 410 CO 0.03 1.11 0.54 0.58 0.09 0.00 0.00 178.44 180.79 3fgo h VAL 411 N 0.49 1.13 -0.30 1.22 2.07 -0.74 0.65 116.25 120.76 3fgo h VAL 411 Ca 0.01 -0.36 -0.14 0.00 0.82 0.00 0.00 66.70 67.03 3fgo h VAL 411 Cb 1.11 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3fgo h VAL 411 CO 0.11 0.19 -0.38 -0.08 0.02 0.00 0.00 177.57 177.43 3fgo h GLU 412 N 1.04 0.78 -0.27 1.57 4.81 -1.11 -0.90 114.58 120.51 3fgo h GLU 412 Ca 0.34 -0.44 0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3fgo h GLU 412 Cb 0.02 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3fgo h GLU 412 CO -0.12 1.07 0.07 1.25 -0.73 0.00 0.00 179.01 180.55 3fgo h LEU 413 N 0.55 0.05 -0.90 1.64 6.46 -0.55 -0.16 115.31 122.39 3fgo h LEU 413 Ca 0.04 0.04 0.05 0.00 -0.12 0.00 0.00 57.88 57.88 3fgo h LEU 413 Cb 0.97 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.88 3fgo h LEU 413 CO 0.09 0.06 0.58 0.00 -0.62 0.00 0.00 178.44 178.55 3fgo h ALA 414 N 1.19 1.21 -0.21 1.25 0.00 -0.80 0.24 119.26 122.14 3fgo h ALA 414 Ca 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3fgo h ALA 414 Cb 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3fgo h ALA 414 CO -0.15 0.39 0.07 1.15 0.00 0.00 0.00 179.25 180.72 3fgo h THR 415 N 1.09 1.18 -0.50 0.00 2.02 -0.33 0.26 112.91 116.63 3fgo h THR 415 Ca 0.37 -0.57 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 3fgo h THR 415 Cb 0.07 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3fgo h THR 415 CO -0.14 0.18 0.11 0.40 0.37 0.00 0.00 175.52 176.44 3fgo h ILE 416 N 0.17 1.24 -0.77 3.11 2.04 -0.63 -0.60 117.51 122.07 3fgo h ILE 416 Ca 0.07 -0.88 0.05 0.00 1.00 0.00 0.00 64.86 65.09 3fgo h ILE 416 Cb 0.22 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 3fgo h ILE 416 CO -0.00 0.32 0.51 0.00 0.00 0.00 0.00 178.15 178.97 3fgo h ALA 418 N 1.56 0.05 0.08 0.00 0.00 -0.15 -3.38 119.26 117.43 3fgo h ALA 418 Ca 0.32 -0.66 -0.33 0.00 0.00 0.00 0.00 54.91 54.24 3fgo h ALA 418 Cb 0.14 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3fgo h ALA 418 CO -0.10 0.51 -1.84 -0.07 0.00 0.00 0.00 179.25 177.74 3fgo h LEU 419 N 0.07 0.27 -6.92 0.00 3.38 -0.89 -3.40 115.31 107.81 3fgo h LEU 419 Ca -0.12 -0.57 -0.75 0.00 0.09 0.00 0.00 57.88 56.53 3fgo h LEU 419 Cb 1.58 -0.09 -0.16 0.00 0.09 0.00 0.00 40.66 42.08 3fgo h LEU 419 CO 0.17 1.50 1.81 0.00 0.09 0.00 0.00 178.44 182.01 3fgo s ASN 421 N 1.67 -0.49 0.00 0.00 3.84 -1.26 -4.84 114.94 113.86 3fgo s ASN 421 Ca 0.41 0.77 0.15 0.00 0.21 0.00 0.00 52.86 54.40 3fgo s ASN 421 Cb 0.05 1.28 0.31 0.00 -0.55 0.00 0.00 41.25 42.34 3fgo s ASN 421 CO 0.00 -0.12 1.21 0.47 -2.79 0.00 0.00 177.10 175.88 3fgo n ASP 422 N 3.91 2.89 -3.81 -4.21 10.43 -1.26 -5.00 116.55 119.50 3fgo n ASP 422 Ca -0.17 -1.86 -0.16 0.00 2.57 0.00 0.00 54.79 55.17 3fgo n ASP 422 Cb 0.57 -0.20 0.01 0.00 1.84 0.00 0.00 41.12 43.34 3fgo n ASP 422 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3fgo n SER 423 N 0.89 1.99 -0.30 -2.24 7.64 -1.26 -4.89 113.62 115.45 3fgo n SER 423 Ca 0.13 -2.17 0.00 0.00 1.01 0.00 0.00 58.87 57.85 3fgo n SER 423 Cb 0.45 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 3fgo n SER 423 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3fgo n SER 424 N -2.01 0.00 -4.09 6.43 3.41 -0.46 -4.96 113.62 111.94 3fgo n SER 424 Ca 0.01 -0.30 -0.13 0.00 -0.26 0.00 0.00 58.87 58.18 3fgo n SER 424 Cb 0.40 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.23 3fgo n SER 424 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3fgo s LEU 425 N 0.00 2.31 -0.12 1.04 2.96 -1.26 -2.05 118.68 121.56 3fgo s LEU 425 Ca 0.00 -0.64 -0.10 0.00 -0.22 0.00 0.00 54.13 53.16 3fgo s LEU 425 Cb 0.00 -0.19 0.03 0.00 0.50 0.00 0.00 46.19 46.53 3fgo s LEU 425 CO 0.00 -0.24 0.31 -0.62 -1.32 0.00 0.00 176.35 174.48 3fgo s ASP 426 N -1.88 -0.32 -0.40 3.68 2.15 -0.32 -4.73 116.67 114.85 3fgo s ASP 426 Ca -0.05 0.63 -0.15 0.00 0.43 0.00 0.00 52.55 53.40 3fgo s ASP 426 Cb -0.07 0.62 0.01 0.00 -0.30 0.00 0.00 42.92 43.18 3fgo s ASP 426 CO -0.00 -0.11 0.32 0.12 -0.17 0.00 0.00 175.17 175.33 3fgo s PHE 427 N 0.26 3.22 -0.52 -5.34 5.36 -1.26 0.11 117.98 119.81 3fgo s PHE 427 Ca -0.01 -0.46 -0.28 0.00 -0.96 0.00 0.00 56.93 55.22 3fgo s PHE 427 Cb -0.03 -2.64 0.02 0.00 -0.34 0.00 0.00 43.02 40.02 3fgo s PHE 427 CO -0.00 -0.57 1.37 1.21 -1.46 0.00 0.00 175.22 175.76 3fgo s ASN 428 N 1.72 6.25 0.37 6.13 3.84 -0.34 -4.82 114.94 128.08 3fgo s ASN 428 Ca 0.07 0.43 0.10 0.00 0.21 0.00 0.00 52.86 53.66 3fgo s ASN 428 Cb -0.18 -2.55 0.71 0.00 -0.55 0.00 0.00 41.25 38.68 3fgo s ASN 428 CO 0.11 -1.58 1.85 -0.33 -2.79 0.00 0.00 177.10 174.36 3fgo h GLU 429 N 10.69 0.18 0.01 0.43 5.08 -1.96 0.39 114.58 129.40 3fgo h GLU 429 Ca -0.26 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3fgo h GLU 429 Cb 1.09 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3fgo h GLU 429 CO 1.15 0.42 -0.00 1.15 -1.00 0.00 0.00 179.01 180.73 3fgo h THR 430 N 0.16 1.36 0.00 1.13 2.02 -1.96 -3.29 112.91 112.33 3fgo h THR 430 Ca 0.03 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.10 3fgo h THR 430 Cb 0.53 2.10 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 3fgo h THR 430 CO 0.04 0.28 -0.13 0.11 0.37 0.00 0.00 175.52 176.20 3fgo h LYS 431 N -0.49 0.00 -0.61 6.66 1.57 -1.95 -3.47 116.57 118.28 3fgo h LYS 431 Ca -0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 3fgo h LYS 431 Cb 0.48 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 3fgo h LYS 431 CO 0.00 0.00 -0.14 0.41 -0.57 0.00 0.00 179.45 179.15 3fgo n GLY 432 N 1.24 0.47 3.12 3.86 0.00 0.12 -5.04 105.19 108.97 3fgo n GLY 432 Ca 0.05 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 3fgo n GLY 432 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fgo s VAL 433 N -2.28 0.44 0.29 1.61 -7.23 -1.19 -5.00 120.40 107.04 3fgo s VAL 433 Ca 0.00 -1.83 -0.28 0.00 -1.81 0.00 0.00 61.98 58.06 3fgo s VAL 433 Cb 0.00 -1.54 -0.09 0.00 0.56 0.00 0.00 36.38 35.30 3fgo s VAL 433 CO 0.00 -0.92 1.01 -0.31 -0.31 0.00 0.00 175.10 174.57 3fgo s TYR 434 N -3.68 3.69 0.09 2.82 1.51 -1.26 -1.20 117.35 119.32 3fgo s TYR 434 Ca 0.08 1.78 0.05 0.00 -1.01 0.00 0.00 57.07 57.97 3fgo s TYR 434 Cb 0.06 -3.10 -0.03 0.00 -0.11 0.00 0.00 41.96 38.78 3fgo s TYR 434 CO -0.07 -0.09 -0.13 -1.21 -1.11 0.00 0.00 175.55 172.94 3fgo s GLU 435 N -1.63 0.88 0.74 -0.62 2.02 0.12 -4.76 118.70 115.44 3fgo s GLU 435 Ca 0.46 -1.09 -0.11 0.00 0.02 0.00 0.00 54.97 54.26 3fgo s GLU 435 Cb -0.26 -0.75 0.04 0.00 0.10 0.00 0.00 34.13 33.26 3fgo s GLU 435 CO 0.33 0.15 1.07 -1.59 0.02 0.00 0.00 175.26 175.24 3fgo s LYS 436 N -2.30 2.55 -0.26 1.61 -2.85 -1.26 -1.17 119.74 116.06 3fgo s LYS 436 Ca 0.03 0.92 -0.02 0.00 -1.00 0.00 0.00 55.97 55.90 3fgo s LYS 436 Cb -0.07 -1.95 0.08 0.00 -2.06 0.00 0.00 37.83 33.84 3fgo s LYS 436 CO 0.02 -1.37 0.08 0.08 0.10 0.00 0.00 175.35 174.26 3fgo s VAL 437 N -3.04 0.56 0.00 1.79 1.01 -0.87 -4.77 120.40 115.08 3fgo s VAL 437 Ca 0.59 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3fgo s VAL 437 Cb -0.15 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.95 3fgo s VAL 437 CO 0.55 -0.49 0.00 0.61 0.00 0.00 0.00 175.10 175.77 3fgo n GLY 438 N 5.00 -0.56 3.75 4.51 0.00 -1.26 -1.35 105.19 115.28 3fgo n GLY 438 Ca -0.06 -2.05 -0.40 0.00 0.00 0.00 0.00 46.02 43.51 3fgo n GLY 438 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fgo s GLU 439 N 0.00 4.72 0.23 1.61 2.02 -1.26 -4.91 118.70 121.11 3fgo s GLU 439 Ca 0.00 1.67 -0.07 0.00 0.02 0.00 0.00 54.97 56.58 3fgo s GLU 439 Cb 0.00 -3.24 0.37 0.00 0.10 0.00 0.00 34.13 31.36 3fgo s GLU 439 CO 0.00 0.32 1.72 0.00 0.02 0.00 0.00 175.26 177.32 3fgo h ALA 440 N 4.09 0.87 0.00 5.21 0.00 -1.95 0.11 119.26 127.59 3fgo h ALA 440 Ca -0.46 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3fgo h ALA 440 Cb 1.21 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3fgo h ALA 440 CO 0.68 -0.26 0.00 1.79 0.00 0.00 0.00 179.25 181.46 3fgo h THR 441 N 0.34 0.00 0.14 0.00 1.35 -1.93 -1.07 112.91 111.75 3fgo h THR 441 Ca 0.36 -0.64 -0.32 0.00 -0.55 0.00 0.00 66.41 65.26 3fgo h THR 441 Cb 0.54 1.61 -0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3fgo h THR 441 CO -0.40 0.00 -1.66 -0.33 -0.25 0.00 0.00 175.52 172.88 3fgo h GLU 442 N 0.00 0.30 0.00 4.72 5.08 -1.66 -3.35 114.58 119.67 3fgo h GLU 442 Ca 0.00 -0.51 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 3fgo h GLU 442 Cb 0.67 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 3fgo h GLU 442 CO 0.00 1.24 -0.10 1.15 -1.00 0.00 0.00 179.01 180.30 3fgo h THR 443 N -0.10 0.94 -0.56 1.13 2.02 -0.60 0.31 112.91 116.05 3fgo h THR 443 Ca -0.35 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 3fgo h THR 443 Cb 1.93 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 69.51 3fgo h THR 443 CO 0.10 0.10 0.27 0.00 0.37 0.00 0.00 175.52 176.35 3fgo h ALA 444 N 1.90 1.42 -0.27 6.16 0.00 -1.33 0.10 119.26 127.25 3fgo h ALA 444 Ca -0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3fgo h ALA 444 Cb 0.19 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3fgo h ALA 444 CO 0.01 0.46 -0.23 -0.07 0.00 0.00 0.00 179.25 179.42 3fgo h LEU 445 N 0.78 0.67 -0.41 0.00 3.38 -1.09 -1.19 115.31 117.45 3fgo h LEU 445 Ca 0.20 -0.46 0.07 0.00 0.09 0.00 0.00 57.88 57.77 3fgo h LEU 445 Cb 0.09 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 3fgo h LEU 445 CO -0.03 0.99 0.07 0.74 0.09 0.00 0.00 178.44 180.31 3fgo h THR 446 N 0.36 0.77 -0.63 0.22 2.02 -0.82 -1.40 112.91 113.42 3fgo h THR 446 Ca 0.05 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3fgo h THR 446 Cb 0.79 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 3fgo h THR 446 CO 0.06 0.04 0.37 0.74 0.37 0.00 0.00 175.52 177.10 3fgo h THR 447 N 0.20 1.19 -0.68 3.16 2.02 -0.69 -2.42 112.91 115.70 3fgo h THR 447 Ca 0.20 -0.44 0.06 0.00 0.77 0.00 0.00 66.41 67.00 3fgo h THR 447 Cb 0.25 0.33 -0.06 0.00 -1.74 0.00 0.00 68.15 66.94 3fgo h THR 447 CO -0.27 0.20 0.38 0.25 0.37 0.00 0.00 175.52 176.45 3fgo h LEU 448 N 0.86 0.55 -0.77 2.58 5.85 -0.68 -0.72 115.31 122.99 3fgo h LEU 448 Ca 0.23 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 3fgo h LEU 448 Cb -0.00 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3fgo h LEU 448 CO -0.04 0.36 0.28 0.58 -0.34 0.00 0.00 178.44 179.28 3fgo h VAL 449 N 0.69 1.26 -0.40 1.05 2.07 -0.80 0.29 116.25 120.40 3fgo h VAL 449 Ca 0.31 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 3fgo h VAL 449 Cb 0.20 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 3fgo h VAL 449 CO -0.19 0.34 -0.01 -0.33 0.02 0.00 0.00 177.57 177.40 3fgo h GLU 450 N 1.12 0.65 -0.09 1.57 4.39 -0.95 -1.11 114.58 120.16 3fgo h GLU 450 Ca 0.25 -0.16 -0.22 0.00 0.34 0.00 0.00 59.36 59.57 3fgo h GLU 450 Cb 0.25 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 28.82 3fgo h GLU 450 CO -0.02 0.68 -0.83 0.87 -1.16 0.00 0.00 179.01 178.55 3fgo h LYS 451 N 0.62 0.61 -0.37 2.33 1.57 0.00 -3.30 116.57 118.03 3fgo h LYS 451 Ca 0.12 -0.55 -0.07 0.00 -1.87 0.00 0.00 60.65 58.28 3fgo h LYS 451 Cb 0.40 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3fgo h LYS 451 CO 0.02 1.16 -0.06 0.52 -0.57 0.00 0.00 179.45 180.52 3fgo h MET 452 N 0.40 0.70 -6.58 3.15 2.86 -0.22 -3.43 114.93 111.80 3fgo h MET 452 Ca -0.06 -0.25 -0.52 0.00 -2.06 0.00 0.00 59.70 56.81 3fgo h MET 452 Cb 1.45 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 33.07 3fgo h MET 452 CO 0.16 0.83 -0.96 -1.71 1.06 0.00 0.00 176.91 176.29 3fgo n ASN 453 N -4.41 -3.75 0.27 1.22 5.15 -0.44 -4.15 115.26 109.15 3fgo n ASN 453 Ca -0.02 -1.14 0.14 0.00 -0.60 0.00 0.00 54.58 52.96 3fgo n ASN 453 Cb 0.33 -2.59 0.74 0.00 -0.53 0.00 0.00 39.78 37.73 3fgo n ASN 453 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 3fgo h VAL 454 N -2.16 0.48 -0.50 3.44 -1.51 -1.92 -0.34 116.25 113.74 3fgo h VAL 454 Ca -0.68 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 64.26 3fgo h VAL 454 Cb 1.38 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.91 3fgo h VAL 454 CO 0.53 0.11 0.00 0.49 -1.23 0.00 0.00 177.57 177.47 3fgo n PHE 455 N -3.54 0.79 -3.05 5.19 3.72 -1.26 -3.92 117.46 115.39 3fgo n PHE 455 Ca -0.02 -0.37 -0.21 0.00 -0.05 0.00 0.00 57.45 56.81 3fgo n PHE 455 Cb 0.25 -0.05 0.01 0.00 -0.94 0.00 0.00 39.48 38.74 3fgo n PHE 455 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3fgo n ASN 456 N 0.92 -4.59 -4.75 4.37 3.02 -0.14 -4.90 115.26 109.20 3fgo n ASN 456 Ca 0.17 -0.23 -0.42 0.00 -0.03 0.00 0.00 54.58 54.08 3fgo n ASN 456 Cb 0.50 -3.78 -0.02 0.00 -0.61 0.00 0.00 39.78 35.88 3fgo n ASN 456 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3fgo s THR 457 N -2.95 2.06 -0.22 3.41 2.01 -1.26 -4.93 115.64 113.75 3fgo s THR 457 Ca 0.28 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 3fgo s THR 457 Cb -0.14 -3.03 -0.02 0.00 0.01 0.00 0.00 72.50 69.32 3fgo s THR 457 CO 0.34 0.01 1.59 -0.70 -0.69 0.00 0.00 174.62 175.17 3fgo s GLU 458 N -0.39 3.82 0.00 4.92 2.56 -1.26 -4.84 118.70 123.52 3fgo s GLU 458 Ca 0.64 1.65 0.00 0.00 0.00 0.00 0.00 54.97 57.26 3fgo s GLU 458 Cb -0.48 -4.02 0.00 0.00 2.00 0.00 0.00 34.13 31.63 3fgo s GLU 458 CO 0.47 -1.26 0.28 1.33 -0.56 0.00 0.00 175.26 175.52 3fgo n VAL 459 N 6.35 0.00 0.24 3.70 0.24 -1.26 -4.77 118.33 122.83 3fgo n VAL 459 Ca 0.18 -0.42 0.12 0.00 -2.04 0.00 0.00 64.34 62.18 3fgo n VAL 459 Cb 0.45 1.10 0.53 0.00 -1.47 0.00 0.00 33.84 34.46 3fgo n VAL 459 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3fgo h ARG 460 N 0.00 0.00 -0.49 7.34 3.08 -2.02 -2.98 114.38 119.32 3fgo h ARG 460 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3fgo h ARG 460 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3fgo h ARG 460 CO 0.00 0.17 0.00 0.27 -1.07 0.00 0.00 179.97 179.34 3fgo n ASN 461 N -3.35 3.55 -4.79 7.04 6.94 -1.26 -4.95 115.26 118.43 3fgo n ASN 461 Ca 0.00 -1.98 -0.35 0.00 -0.02 0.00 0.00 54.58 52.23 3fgo n ASN 461 Cb 0.39 -0.32 -0.05 0.00 -2.36 0.00 0.00 39.78 37.44 3fgo n ASN 461 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3fgo s LEU 462 N -1.27 4.07 0.86 -4.53 1.43 -1.13 -5.04 118.68 113.07 3fgo s LEU 462 Ca 0.40 1.89 -0.12 0.00 -1.03 0.00 0.00 54.13 55.27 3fgo s LEU 462 Cb 0.22 -4.32 0.11 0.00 0.03 0.00 0.00 46.19 42.24 3fgo s LEU 462 CO 0.30 -0.43 1.14 -1.54 0.23 0.00 0.00 176.35 176.06 3fgo n SER 463 N -0.28 0.58 0.17 2.29 3.41 -1.26 -4.80 113.62 113.73 3fgo n SER 463 Ca 0.06 0.50 0.03 0.00 -0.26 0.00 0.00 58.87 59.20 3fgo n SER 463 Cb 0.51 -1.48 0.42 0.00 -0.26 0.00 0.00 64.21 63.40 3fgo n SER 463 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3fgo h LYS 464 N -1.39 0.10 -0.48 4.33 1.57 -1.98 -0.76 116.57 117.96 3fgo h LYS 464 Ca -0.45 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.19 3fgo h LYS 464 Cb 1.29 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 3fgo h LYS 464 CO 0.43 0.31 -0.18 -0.39 -0.57 0.00 0.00 179.45 179.05 3fgo h VAL 465 N 0.10 1.27 0.00 0.50 -1.51 -1.90 -2.89 116.25 111.81 3fgo h VAL 465 Ca 0.02 -1.33 -0.07 0.00 -1.23 0.00 0.00 66.70 64.09 3fgo h VAL 465 Cb 0.42 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.65 3fgo h VAL 465 CO 0.03 0.46 -0.35 -0.08 -1.23 0.00 0.00 177.57 176.39 3fgo h GLU 466 N 0.83 0.00 0.00 5.19 4.81 -1.81 -3.19 114.58 120.41 3fgo h GLU 466 Ca 0.12 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.22 3fgo h GLU 466 Cb 0.74 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 3fgo h GLU 466 CO 0.06 0.35 -0.62 -0.09 -0.73 0.00 0.00 179.01 177.99 3fgo h ARG 467 N 0.00 0.00 -0.95 1.92 9.65 -0.97 -3.28 114.38 120.75 3fgo h ARG 467 Ca -0.00 0.00 0.28 0.00 -1.10 0.00 0.00 59.98 59.16 3fgo h ARG 467 Cb 0.93 0.00 -0.15 0.00 -1.39 0.00 0.00 29.97 29.37 3fgo h ARG 467 CO 0.05 0.62 0.42 0.00 2.80 0.00 0.00 179.97 183.85 3fgo h ALA 468 N 1.38 1.64 0.00 2.80 0.00 -1.50 -2.71 119.26 120.87 3fgo h ALA 468 Ca -0.01 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3fgo h ALA 468 Cb 1.15 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 3fgo h ALA 468 CO 0.08 -0.52 -0.31 0.09 0.00 0.00 0.00 179.25 178.60 3fgo n ASN 469 N -5.13 1.12 0.24 0.00 3.02 -1.24 -4.71 115.26 108.56 3fgo n ASN 469 Ca 0.27 -2.54 -0.16 0.00 -0.03 0.00 0.00 54.58 52.12 3fgo n ASN 469 Cb 0.84 -0.32 -0.08 0.00 -0.61 0.00 0.00 39.78 39.62 3fgo n ASN 469 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fgo h ALA 470 N 0.08 -0.66 0.00 5.41 0.00 -1.54 0.14 119.26 122.68 3fgo h ALA 470 Ca -0.01 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3fgo h ALA 470 Cb 1.23 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 3fgo h ALA 470 CO 0.00 -0.89 -0.41 0.00 0.00 0.00 0.00 179.25 177.95 3fgo h ASN 472 N 0.00 0.90 -0.62 0.00 2.35 -1.83 -2.84 115.58 113.55 3fgo h ASN 472 Ca -0.00 -0.41 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 3fgo h ASN 472 Cb 0.92 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 39.01 3fgo h ASN 472 CO 0.05 1.12 0.39 0.28 -1.65 0.00 0.00 177.43 177.62 3fgo h SER 473 N 0.69 0.73 -0.47 5.81 0.02 -0.27 -1.22 113.55 118.83 3fgo h SER 473 Ca 0.09 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 3fgo h SER 473 Cb 0.79 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 3fgo h SER 473 CO 0.07 0.55 0.02 0.58 -1.14 0.00 0.00 176.83 176.91 3fgo h VAL 474 N 0.85 1.25 -0.41 2.27 2.07 -1.25 -1.76 116.25 119.26 3fgo h VAL 474 Ca 0.23 -1.02 -0.10 0.00 0.82 0.00 0.00 66.70 66.62 3fgo h VAL 474 Cb -0.06 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3fgo h VAL 474 CO -0.05 0.37 -0.16 0.40 0.02 0.00 0.00 177.57 178.15 3fgo h ILE 475 N 0.82 1.26 0.00 4.57 2.04 -1.17 -2.40 117.51 122.64 3fgo h ILE 475 Ca 0.16 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 3fgo h ILE 475 Cb 0.46 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3fgo h ILE 475 CO 0.02 0.42 -0.06 0.03 0.00 0.00 0.00 178.15 178.56 3fgo h ARG 476 N 0.69 0.00 0.00 2.37 3.08 -0.42 -1.23 114.38 118.86 3fgo h ARG 476 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3fgo h ARG 476 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3fgo h ARG 476 CO 0.05 0.06 0.00 1.96 -1.07 0.00 0.00 179.97 180.97 3fgo h GLN 477 N 0.00 0.00 0.07 0.04 4.20 -0.83 -3.31 115.11 115.29 3fgo h GLN 477 Ca -0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 3fgo h GLN 477 Cb 0.15 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3fgo h GLN 477 CO 0.01 0.00 -1.69 1.28 -0.67 0.00 0.00 178.83 177.76 3fgo n LEU 478 N -2.70 2.30 -4.21 1.46 4.32 -0.49 -4.68 117.00 113.00 3fgo n LEU 478 Ca 0.03 0.30 -0.32 0.00 -0.02 0.00 0.00 56.01 56.01 3fgo n LEU 478 Cb 0.40 -1.06 -0.17 0.00 -1.62 0.00 0.00 43.42 40.97 3fgo n LEU 478 CO 0.29 0.61 -0.56 -0.04 -1.22 0.00 0.00 177.39 176.47 3fgo s MET 479 N -2.48 2.99 -0.24 3.23 -1.94 -1.07 0.37 119.30 120.16 3fgo s MET 479 Ca -0.25 -0.86 -0.17 0.00 -1.71 0.00 0.00 55.69 52.70 3fgo s MET 479 Cb 0.06 -2.26 -0.03 0.00 2.01 0.00 0.00 34.83 34.61 3fgo s MET 479 CO 0.69 0.17 0.48 0.21 -0.01 0.00 0.00 175.02 176.56 3fgo s LYS 480 N 0.36 4.10 -0.09 2.03 2.20 0.44 -4.57 119.74 124.21 3fgo s LYS 480 Ca -0.19 0.28 -0.30 0.00 -0.36 0.00 0.00 55.97 55.41 3fgo s LYS 480 Cb -0.18 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.48 3fgo s LYS 480 CO 0.09 -0.26 1.49 0.21 -0.36 0.00 0.00 175.35 176.52 3fgo s LYS 481 N 2.01 4.21 -0.15 4.03 2.20 -1.26 -2.17 119.74 128.60 3fgo s LYS 481 Ca 0.20 1.97 0.08 0.00 -0.36 0.00 0.00 55.97 57.87 3fgo s LYS 481 Cb -0.15 -3.88 -0.23 0.00 -1.51 0.00 0.00 37.83 32.06 3fgo s LYS 481 CO 0.09 -0.78 0.22 0.39 -0.36 0.00 0.00 175.35 174.92 3fgo n GLU 482 N 6.82 0.68 -3.63 4.03 1.02 0.80 -5.00 120.64 125.37 3fgo n GLU 482 Ca 0.16 0.16 -0.05 0.00 -0.02 0.00 0.00 57.16 57.41 3fgo n GLU 482 Cb 0.44 -1.63 -0.02 0.00 -0.02 0.00 0.00 31.44 30.21 3fgo n GLU 482 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3fgo s PHE 483 N -2.54 -0.20 -0.05 -0.32 -0.71 -1.21 -5.00 117.98 107.94 3fgo s PHE 483 Ca -0.16 0.01 0.05 0.00 -1.04 0.00 0.00 56.93 55.79 3fgo s PHE 483 Cb 0.07 0.58 -0.02 0.00 -1.21 0.00 0.00 43.02 42.44 3fgo s PHE 483 CO 0.77 -0.59 -0.20 0.99 -1.34 0.00 0.00 175.22 174.84 3fgo s THR 484 N -3.03 2.51 -0.81 -4.49 2.01 -1.26 -1.35 115.64 109.23 3fgo s THR 484 Ca 0.09 -0.91 -0.18 0.00 0.31 0.00 0.00 61.69 61.00 3fgo s THR 484 Cb -0.00 -1.95 0.14 0.00 0.01 0.00 0.00 72.50 70.70 3fgo s THR 484 CO -0.03 0.57 0.92 -0.76 -0.69 0.00 0.00 174.62 174.63 3fgo s LEU 485 N -0.40 5.55 0.87 4.42 1.43 0.21 -4.98 118.68 125.78 3fgo s LEU 485 Ca 0.04 -2.01 -0.11 0.00 -1.03 0.00 0.00 54.13 51.02 3fgo s LEU 485 Cb -0.12 -2.33 0.12 0.00 0.03 0.00 0.00 46.19 43.89 3fgo s LEU 485 CO 0.02 -0.97 1.17 -1.83 0.23 0.00 0.00 176.35 174.97 3fgo s GLU 486 N 2.10 1.24 0.28 1.70 -1.05 -1.26 -1.52 118.70 120.19 3fgo s GLU 486 Ca 0.23 1.65 -0.30 0.00 -0.15 0.00 0.00 54.97 56.40 3fgo s GLU 486 Cb -0.12 -1.74 -0.13 0.00 -0.44 0.00 0.00 34.13 31.70 3fgo s GLU 486 CO -0.04 -2.49 1.35 0.34 0.95 0.00 0.00 175.26 175.37 3fgo n PHE 487 N -3.86 2.17 -4.19 4.83 -0.00 -1.25 -4.79 117.46 110.36 3fgo n PHE 487 Ca 0.13 0.49 -0.16 0.00 -0.00 0.00 0.00 57.45 57.90 3fgo n PHE 487 Cb 0.51 -2.43 -0.11 0.00 -0.00 0.00 0.00 39.48 37.45 3fgo n PHE 487 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 3fgo s SER 488 N 0.04 1.61 0.43 -2.13 1.04 -1.25 -4.60 113.70 108.84 3fgo s SER 488 Ca 0.63 -0.77 0.12 0.00 0.48 0.00 0.00 55.95 56.41 3fgo s SER 488 Cb -0.62 -0.02 0.95 0.00 0.10 0.00 0.00 66.02 66.43 3fgo s SER 488 CO 0.55 -0.20 1.99 0.03 0.98 0.00 0.00 173.24 176.59 3fgo h ARG 489 N 3.70 0.13 -0.17 4.02 3.08 -1.95 -1.54 114.38 121.65 3fgo h ARG 489 Ca -0.38 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 59.47 3fgo h ARG 489 Cb 1.19 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 3fgo h ARG 489 CO 0.50 0.24 -0.60 0.38 -1.07 0.00 0.00 179.97 179.41 3fgo h ASP 490 N 0.13 0.64 0.00 7.04 2.03 -1.98 -3.32 116.42 120.95 3fgo h ASP 490 Ca 0.03 -0.36 -0.10 0.00 -0.73 0.00 0.00 57.03 55.86 3fgo h ASP 490 Cb 0.26 -0.18 -0.02 0.00 -0.83 0.00 0.00 39.33 38.56 3fgo h ASP 490 CO 0.02 1.09 -2.05 -2.11 -1.03 0.00 0.00 179.24 175.16 3fgo n ARG 491 N -3.93 0.70 -3.78 4.15 1.85 -1.17 -5.01 116.66 109.46 3fgo n ARG 491 Ca -0.04 -0.14 -0.23 0.00 -1.00 0.00 0.00 57.85 56.44 3fgo n ARG 491 Cb 0.64 -1.49 0.02 0.00 -1.05 0.00 0.00 32.46 30.57 3fgo n ARG 491 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3fgo n LYS 492 N -2.36 -4.03 -3.93 2.89 5.02 -0.59 -4.78 118.16 110.39 3fgo n LYS 492 Ca -0.12 0.54 -0.08 0.00 -2.02 0.00 0.00 58.31 56.62 3fgo n LYS 492 Cb 0.71 -4.88 -0.03 0.00 -0.02 0.00 0.00 35.03 30.80 3fgo n LYS 492 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3fgo s SER 493 N -4.29 -0.10 0.14 4.39 1.04 -1.26 -1.51 113.70 112.10 3fgo s SER 493 Ca 0.04 -0.84 -0.07 0.00 0.48 0.00 0.00 55.95 55.56 3fgo s SER 493 Cb -0.01 0.67 -0.01 0.00 0.10 0.00 0.00 66.02 66.76 3fgo s SER 493 CO 0.84 -1.27 0.21 0.00 0.98 0.00 0.00 173.24 173.99 3fgo s MET 494 N -3.80 1.02 0.14 4.02 0.23 -0.09 -3.78 119.30 117.03 3fgo s MET 494 Ca 0.18 -1.17 -0.15 0.00 -1.03 0.00 0.00 55.69 53.52 3fgo s MET 494 Cb -0.03 0.34 0.02 0.00 -1.53 0.00 0.00 34.83 33.63 3fgo s MET 494 CO 0.09 -0.34 0.39 -1.54 -2.03 0.00 0.00 175.02 171.59 3fgo s SER 495 N -2.96 -0.16 -0.01 -1.18 1.04 -0.57 -2.08 113.70 107.77 3fgo s SER 495 Ca 0.15 -0.47 0.03 0.00 0.48 0.00 0.00 55.95 56.14 3fgo s SER 495 Cb 0.05 0.48 -0.00 0.00 0.10 0.00 0.00 66.02 66.64 3fgo s SER 495 CO -0.03 -0.89 -0.10 0.68 0.98 0.00 0.00 173.24 173.88 3fgo s VAL 496 N -3.85 0.78 -0.23 5.02 -7.23 -0.66 0.66 120.40 114.90 3fgo s VAL 496 Ca 0.07 -0.41 -0.11 0.00 -1.81 0.00 0.00 61.98 59.72 3fgo s VAL 496 Cb 0.02 -0.67 -0.05 0.00 0.56 0.00 0.00 36.38 36.24 3fgo s VAL 496 CO -0.08 0.23 0.18 -0.47 -0.31 0.00 0.00 175.10 174.65 3fgo s TYR 497 N -0.10 3.34 0.02 2.82 6.14 -0.45 -0.79 117.35 128.31 3fgo s TYR 497 Ca 0.02 0.28 0.03 0.00 0.64 0.00 0.00 57.07 58.03 3fgo s TYR 497 Cb -0.05 -2.28 -0.01 0.00 0.42 0.00 0.00 41.96 40.04 3fgo s TYR 497 CO -0.00 0.09 -0.09 0.00 0.64 0.00 0.00 175.55 176.20 3fgo s SER 499 N -0.73 4.38 0.30 0.00 1.04 -0.92 -0.29 113.70 117.48 3fgo s SER 499 Ca -0.01 -0.27 -0.29 0.00 0.48 0.00 0.00 55.95 55.86 3fgo s SER 499 Cb -0.06 -0.91 -0.12 0.00 0.10 0.00 0.00 66.02 65.03 3fgo s SER 499 CO 0.00 0.25 1.39 -2.65 0.98 0.00 0.00 173.24 173.21 3fgo n PRO 500 N 1.34 2.22 -1.32 4.02 -0.02 -1.26 -0.42 135.00 139.56 3fgo n PRO 500 Ca -0.15 0.78 -0.33 0.00 -2.02 0.00 0.00 63.50 61.78 3fgo n PRO 500 Cb 0.52 -2.43 0.10 0.00 -0.02 0.00 0.00 33.50 31.68 3fgo n PRO 500 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fgo s ALA 501 N -0.59 2.04 0.30 3.55 0.00 0.16 -4.75 121.76 122.47 3fgo s ALA 501 Ca 0.61 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 53.05 3fgo s ALA 501 Cb -0.58 -3.45 -0.12 0.00 0.00 0.00 0.00 23.12 18.98 3fgo s ALA 501 CO 0.56 -1.98 1.56 1.63 0.00 0.00 0.00 175.76 177.54 3fgo n LYS 502 N -2.99 2.65 -2.06 0.00 4.76 -1.26 -3.05 118.16 116.20 3fgo n LYS 502 Ca 0.13 0.94 -0.02 0.00 -2.87 0.00 0.00 58.31 56.49 3fgo n LYS 502 Cb 0.51 -2.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.00 3fgo n LYS 502 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3fgo n SER 503 N 1.90 -4.30 0.00 4.39 3.41 -1.26 -5.06 113.62 112.70 3fgo n SER 503 Ca 0.08 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 3fgo n SER 503 Cb 0.37 -2.71 0.00 0.00 -0.26 0.00 0.00 64.21 61.61 3fgo n SER 503 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3fgo n SER 504 N -0.82 0.00 0.00 4.04 7.64 -1.17 -4.66 113.62 118.65 3fgo n SER 504 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 3fgo n SER 504 Cb 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 3fgo n SER 504 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3fgo n ARG 505 N 0.00 0.00 -0.10 1.43 5.12 -1.26 -4.62 116.66 117.23 3fgo n ARG 505 Ca 0.00 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.82 3fgo n ARG 505 Cb 0.00 -0.67 -0.07 0.00 -1.16 0.00 0.00 32.46 30.55 3fgo n ARG 505 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3fgo h ALA 506 N 0.00 -0.67 0.00 7.54 0.00 -1.94 -3.47 119.26 120.72 3fgo h ALA 506 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fgo h ALA 506 Cb 0.00 1.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3fgo h ALA 506 CO 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 179.25 178.39 3fgo n ALA 507 N -2.98 0.00 -1.33 0.00 0.00 -1.26 -5.17 120.51 109.77 3fgo n ALA 507 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.10 3fgo n ALA 507 Cb 0.26 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.79 3fgo n ALA 507 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fgo s VAL 508 N -0.07 3.39 0.00 0.00 0.11 -1.26 -4.71 120.40 117.85 3fgo s VAL 508 Ca 0.00 0.48 0.00 0.00 -2.93 0.00 0.00 61.98 59.53 3fgo s VAL 508 Cb 0.00 -2.99 0.00 0.00 -1.53 0.00 0.00 36.38 31.86 3fgo s VAL 508 CO 0.00 -0.56 0.00 0.61 -3.33 0.00 0.00 175.10 171.82 3fgo n GLY 509 N -1.18 0.18 3.85 6.54 0.00 -1.26 -5.02 105.19 108.30 3fgo n GLY 509 Ca 0.09 -1.54 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 3fgo n GLY 509 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fgo s ASN 510 N -1.14 6.63 0.04 1.61 0.01 -1.26 -4.30 114.94 116.53 3fgo s ASN 510 Ca 0.00 1.41 0.02 0.00 -0.71 0.00 0.00 52.86 53.59 3fgo s ASN 510 Cb 0.00 -2.44 -0.02 0.00 0.41 0.00 0.00 41.25 39.20 3fgo s ASN 510 CO 0.00 -0.47 -0.08 -0.54 -1.51 0.00 0.00 177.10 174.50 3fgo s LYS 511 N -3.82 0.53 -0.12 -0.60 -0.14 0.60 -4.25 119.74 111.94 3fgo s LYS 511 Ca 0.56 -0.73 0.02 0.00 -1.36 0.00 0.00 55.97 54.45 3fgo s LYS 511 Cb -0.10 -0.32 -0.01 0.00 -1.68 0.00 0.00 37.83 35.73 3fgo s LYS 511 CO 0.28 0.06 -0.18 -1.64 -0.76 0.00 0.00 175.35 173.12 3fgo s MET 512 N -1.51 3.24 -0.14 1.68 -1.94 -1.09 0.45 119.30 119.99 3fgo s MET 512 Ca -0.09 -0.77 -0.03 0.00 -1.71 0.00 0.00 55.69 53.09 3fgo s MET 512 Cb -0.10 -2.49 -0.03 0.00 2.01 0.00 0.00 34.83 34.22 3fgo s MET 512 CO 0.00 0.20 -0.04 -0.06 -0.01 0.00 0.00 175.02 175.12 3fgo s PHE 513 N 0.34 3.02 -0.04 -0.03 0.08 0.03 -0.19 117.98 121.19 3fgo s PHE 513 Ca -0.14 -0.25 0.05 0.00 0.12 0.00 0.00 56.93 56.71 3fgo s PHE 513 Cb -0.17 -1.92 -0.01 0.00 -0.57 0.00 0.00 43.02 40.35 3fgo s PHE 513 CO 0.07 0.02 -0.18 0.08 -0.10 0.00 0.00 175.22 175.11 3fgo s VAL 514 N 0.18 1.51 0.09 -0.44 1.01 0.35 -1.66 120.40 121.44 3fgo s VAL 514 Ca -0.02 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.22 3fgo s VAL 514 Cb -0.14 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 3fgo s VAL 514 CO 0.03 0.43 -0.10 -1.59 0.00 0.00 0.00 175.10 173.87 3fgo s LYS 515 N -0.09 0.81 0.00 2.72 -2.85 -0.88 -0.09 119.74 119.35 3fgo s LYS 515 Ca -0.01 -1.09 0.00 0.00 -1.00 0.00 0.00 55.97 53.87 3fgo s LYS 515 Cb -0.11 -0.53 0.00 0.00 -2.06 0.00 0.00 37.83 35.13 3fgo s LYS 515 CO 0.02 0.09 0.00 0.41 0.10 0.00 0.00 175.35 175.96 3fgo n GLY 516 N 0.74 -1.47 3.71 0.59 0.00 -0.92 -0.92 105.19 106.92 3fgo n GLY 516 Ca -0.17 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 3fgo n GLY 516 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fgo n ALA 517 N 0.00 2.33 -0.21 4.61 0.00 -0.57 -1.01 120.51 125.67 3fgo n ALA 517 Ca 0.00 0.41 -0.01 0.00 0.00 0.00 0.00 53.44 53.85 3fgo n ALA 517 Cb 0.00 -2.46 0.07 0.00 0.00 0.00 0.00 19.45 17.06 3fgo n ALA 517 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3fgo h PRO 518 N 6.23 0.01 -0.42 0.00 0.11 -1.90 -2.93 132.00 133.10 3fgo h PRO 518 Ca -0.44 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 3fgo h PRO 518 Cb 1.22 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3fgo h PRO 518 CO 0.91 0.01 0.07 1.49 -0.21 0.00 0.00 178.00 180.27 3fgo h GLU 519 N 0.01 0.70 -0.10 1.05 4.81 -1.97 0.54 114.58 119.62 3fgo h GLU 519 Ca 0.30 -0.19 -0.17 0.00 -0.13 0.00 0.00 59.36 59.18 3fgo h GLU 519 Cb 0.47 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3fgo h GLU 519 CO -0.63 0.73 -0.65 0.78 -0.73 0.00 0.00 179.01 178.52 3fgo h GLY 520 N 0.55 0.41 0.80 1.92 0.00 -1.84 -1.78 103.07 103.13 3fgo h GLY 520 Ca 0.13 -0.54 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 3fgo h GLY 520 CO 0.01 0.48 -0.34 -2.08 0.00 0.00 0.00 176.54 174.61 3fgo h VAL 521 N 0.27 1.37 -0.52 4.60 2.07 -1.32 -3.03 116.25 119.71 3fgo h VAL 521 Ca -0.01 -1.64 -0.10 0.00 0.82 0.00 0.00 66.70 65.77 3fgo h VAL 521 Cb 1.19 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 3fgo h VAL 521 CO 0.11 0.49 -0.06 0.40 0.02 0.00 0.00 177.57 178.53 3fgo h ILE 522 N 0.04 1.27 -0.53 4.57 2.04 -0.88 -2.07 117.51 121.96 3fgo h ILE 522 Ca -0.01 -1.19 0.15 0.00 1.00 0.00 0.00 64.86 64.81 3fgo h ILE 522 Cb 0.95 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 3fgo h ILE 522 CO 0.07 0.42 0.38 0.44 0.00 0.00 0.00 178.15 179.46 3fgo h ASP 523 N 0.82 0.04 -0.47 1.72 3.32 -1.35 0.15 116.42 120.64 3fgo h ASP 523 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3fgo h ASP 523 Cb 0.61 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3fgo h ASP 523 CO 0.04 0.02 0.00 0.54 -1.72 0.00 0.00 179.24 178.12 3fgo n ARG 524 N -4.39 3.02 -3.93 3.56 1.74 -0.80 -4.86 116.66 111.01 3fgo n ARG 524 Ca 0.10 -2.08 -0.35 0.00 -0.77 0.00 0.00 57.85 54.74 3fgo n ARG 524 Cb 0.58 -1.74 -0.09 0.00 -1.02 0.00 0.00 32.46 30.19 3fgo n ARG 524 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fgo n ASN 526 N 3.26 0.46 -4.46 0.00 3.02 0.18 -4.82 115.26 112.89 3fgo n ASN 526 Ca -0.17 -0.16 -0.22 0.00 -0.03 0.00 0.00 54.58 54.00 3fgo n ASN 526 Cb 0.53 1.77 -0.11 0.00 -0.61 0.00 0.00 39.78 41.36 3fgo n ASN 526 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3fgo s TYR 527 N -3.32 2.01 -0.03 3.10 2.02 -0.91 -0.42 117.35 119.80 3fgo s TYR 527 Ca -0.05 -0.84 0.02 0.00 -0.37 0.00 0.00 57.07 55.83 3fgo s TYR 527 Cb 0.13 -1.27 0.01 0.00 -0.40 0.00 0.00 41.96 40.43 3fgo s TYR 527 CO 0.84 0.14 -0.08 0.08 -1.57 0.00 0.00 175.55 174.96 3fgo s VAL 528 N -3.15 0.76 -0.03 0.71 1.01 0.18 -0.84 120.40 119.04 3fgo s VAL 528 Ca 0.34 -0.32 -0.27 0.00 0.00 0.00 0.00 61.98 61.72 3fgo s VAL 528 Cb 0.07 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 3fgo s VAL 528 CO 0.14 0.25 0.87 -0.60 0.00 0.00 0.00 175.10 175.76 3fgo s ARG 529 N 0.38 4.50 -0.25 2.72 6.06 -0.41 -0.27 118.95 131.68 3fgo s ARG 529 Ca -0.06 1.20 0.00 0.00 -2.50 0.00 0.00 55.73 54.37 3fgo s ARG 529 Cb -0.10 -3.46 0.07 0.00 0.06 0.00 0.00 34.95 31.51 3fgo s ARG 529 CO 0.01 -0.02 -0.01 0.08 -2.50 0.00 0.00 175.30 172.86 3fgo s VAL 530 N 1.00 1.32 0.00 7.11 1.01 -0.45 -4.26 120.40 126.12 3fgo s VAL 530 Ca 0.46 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3fgo s VAL 530 Cb -0.20 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.47 3fgo s VAL 530 CO 0.23 -0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.70 3fgo n GLY 531 N 4.73 1.85 0.28 4.51 0.00 -1.26 -0.08 105.19 115.22 3fgo n GLY 531 Ca -0.09 0.35 0.07 0.00 0.00 0.00 0.00 46.02 46.36 3fgo n GLY 531 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fgo n THR 532 N 0.00 0.00 -2.43 2.61 -2.24 -1.26 -4.08 114.28 106.88 3fgo n THR 532 Ca 0.00 -0.34 -0.24 0.00 -2.27 0.00 0.00 64.05 61.21 3fgo n THR 532 Cb 0.00 1.15 0.06 0.00 -2.10 0.00 0.00 70.33 69.44 3fgo n THR 532 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3fgo s THR 533 N -1.76 2.41 -0.03 4.28 -4.23 0.88 -5.09 115.64 112.12 3fgo s THR 533 Ca 0.11 -0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 3fgo s THR 533 Cb 0.11 -2.94 0.03 0.00 1.34 0.00 0.00 72.50 71.03 3fgo s THR 533 CO 0.37 0.00 0.00 -0.60 -0.54 0.00 0.00 174.62 173.85 3fgo s ARG 534 N -5.05 0.25 0.22 3.99 3.52 -1.26 -1.34 118.95 119.29 3fgo s ARG 534 Ca 0.60 0.08 0.09 0.00 -0.13 0.00 0.00 55.73 56.37 3fgo s ARG 534 Cb -0.10 -0.44 -0.05 0.00 -1.56 0.00 0.00 34.95 32.81 3fgo s ARG 534 CO 0.42 -0.13 -0.16 0.14 -0.81 0.00 0.00 175.30 174.77 3fgo s VAL 535 N 0.96 1.89 0.27 7.11 -7.23 0.63 -4.92 120.40 119.11 3fgo s VAL 535 Ca -0.09 -2.25 -0.30 0.00 -1.81 0.00 0.00 61.98 57.52 3fgo s VAL 535 Cb -0.13 -2.09 -0.11 0.00 0.56 0.00 0.00 36.38 34.60 3fgo s VAL 535 CO -0.02 -0.55 1.61 -2.84 -0.31 0.00 0.00 175.10 172.99 3fgo s PRO 536 N -3.60 4.13 -0.14 4.82 0.02 -1.26 0.47 135.00 139.43 3fgo s PRO 536 Ca 0.24 2.56 -0.29 0.00 0.02 0.00 0.00 61.00 63.52 3fgo s PRO 536 Cb -0.02 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.44 3fgo s PRO 536 CO 0.08 -0.65 1.29 1.41 -0.33 0.00 0.00 177.00 178.81 3fgo s MET 537 N -0.04 4.24 0.38 5.54 -2.45 0.44 -4.68 119.30 122.72 3fgo s MET 537 Ca 0.66 1.71 0.08 0.00 -1.25 0.00 0.00 55.69 56.89 3fgo s MET 537 Cb -0.48 -3.76 -0.05 0.00 1.25 0.00 0.00 34.83 31.80 3fgo s MET 537 CO 0.43 -0.69 0.17 0.95 1.05 0.00 0.00 175.02 176.94 3fgo s THR 538 N 3.39 2.63 0.12 10.11 -4.23 -1.26 -4.87 115.64 121.53 3fgo s THR 538 Ca 0.56 -1.68 -0.28 0.00 -1.18 0.00 0.00 61.69 59.11 3fgo s THR 538 Cb -0.23 -2.97 -0.06 0.00 1.34 0.00 0.00 72.50 70.58 3fgo s THR 538 CO 0.17 -0.08 1.61 1.23 -0.54 0.00 0.00 174.62 177.00 3fgo h GLY 539 N 1.46 -0.58 1.36 3.99 0.00 -1.98 0.76 103.07 108.08 3fgo h GLY 539 Ca -0.43 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3fgo h GLY 539 CO 0.66 -0.24 0.43 -2.55 0.00 0.00 0.00 176.54 174.84 3fgo h PRO 540 N -0.49 0.86 0.01 4.80 0.11 -1.96 0.13 132.00 135.47 3fgo h PRO 540 Ca 0.06 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 3fgo h PRO 540 Cb 0.58 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.50 3fgo h PRO 540 CO -0.28 0.58 -0.01 0.28 -0.21 0.00 0.00 178.00 178.36 3fgo h VAL 541 N 0.89 1.27 -0.98 3.15 2.07 -1.69 -1.55 116.25 119.41 3fgo h VAL 541 Ca 0.24 -0.85 0.18 0.00 0.82 0.00 0.00 66.70 67.08 3fgo h VAL 541 Cb -0.09 1.85 -0.09 0.00 -1.52 0.00 0.00 31.29 31.43 3fgo h VAL 541 CO -0.05 0.22 0.61 0.50 0.02 0.00 0.00 177.57 178.87 3fgo h LYS 542 N -0.38 0.72 -0.03 1.57 3.64 -0.45 -1.62 116.57 120.03 3fgo h LYS 542 Ca -0.00 -0.04 -0.23 0.00 -1.27 0.00 0.00 60.65 59.10 3fgo h LYS 542 Cb 0.37 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3fgo h LYS 542 CO 0.00 0.48 -0.92 1.05 -2.27 0.00 0.00 179.45 177.79 3fgo h GLU 543 N 0.75 0.54 -0.32 1.90 -0.00 -0.54 -0.36 114.58 116.55 3fgo h GLU 543 Ca 0.54 -0.54 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 3fgo h GLU 543 Cb 0.86 0.14 -0.01 0.00 -0.00 0.00 0.00 28.75 29.74 3fgo h GLU 543 CO -0.31 1.17 0.17 -0.22 -0.00 0.00 0.00 179.01 179.81 3fgo h LYS 544 N 0.32 0.45 -0.33 1.06 1.63 -0.72 -0.94 116.57 118.04 3fgo h LYS 544 Ca -0.08 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 59.61 3fgo h LYS 544 Cb 1.55 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 33.08 3fgo h LYS 544 CO 0.17 0.39 0.01 0.82 -3.45 0.00 0.00 179.45 177.39 3fgo h ILE 545 N 0.39 1.25 -0.33 2.00 2.04 -1.29 -1.51 117.51 120.06 3fgo h ILE 545 Ca 0.11 -0.93 -0.06 0.00 1.00 0.00 0.00 64.86 64.98 3fgo h ILE 545 Cb 0.08 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 3fgo h ILE 545 CO -0.02 0.31 -0.05 -0.07 0.00 0.00 0.00 178.15 178.32 3fgo h LEU 546 N 0.39 0.50 -0.39 1.44 3.38 -1.00 -2.22 115.31 117.40 3fgo h LEU 546 Ca 0.10 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3fgo h LEU 546 Cb 0.43 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3fgo h LEU 546 CO 0.01 0.61 -0.06 0.28 0.09 0.00 0.00 178.44 179.37 3fgo h SER 547 N 0.50 0.73 -0.49 -0.43 0.02 -0.66 -0.42 113.55 112.80 3fgo h SER 547 Ca 0.10 -0.34 -0.09 0.00 -0.84 0.00 0.00 61.79 60.61 3fgo h SER 547 Cb 0.40 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3fgo h SER 547 CO 0.02 0.90 -0.06 0.58 -1.14 0.00 0.00 176.83 177.14 3fgo h VAL 548 N 0.55 1.27 -0.92 2.27 2.07 -1.12 -0.88 116.25 119.49 3fgo h VAL 548 Ca 0.10 -1.16 0.03 0.00 0.82 0.00 0.00 66.70 66.49 3fgo h VAL 548 Cb 0.56 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 3fgo h VAL 548 CO 0.03 0.40 0.61 0.40 0.02 0.00 0.00 177.57 179.03 3fgo h ILE 549 N 0.75 1.16 -0.29 4.57 2.04 -1.22 -0.25 117.51 124.28 3fgo h ILE 549 Ca 0.13 -0.40 -0.15 0.00 1.00 0.00 0.00 64.86 65.44 3fgo h ILE 549 Cb 0.59 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3fgo h ILE 549 CO 0.04 0.21 -0.43 0.50 0.00 0.00 0.00 178.15 178.47 3fgo h LYS 550 N 1.17 0.72 -0.85 2.37 3.64 -0.53 -1.64 116.57 121.45 3fgo h LYS 550 Ca 0.37 -0.39 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3fgo h LYS 550 Cb 0.00 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 3fgo h LYS 550 CO -0.11 1.01 0.41 0.93 -2.27 0.00 0.00 179.45 179.42 3fgo h GLU 551 N 0.59 1.22 0.00 1.90 5.08 -0.48 -2.00 114.58 120.89 3fgo h GLU 551 Ca 0.04 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 3fgo h GLU 551 Cb 0.98 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 3fgo h GLU 551 CO 0.09 0.94 -0.18 -1.49 -1.00 0.00 0.00 179.01 177.37 3fgo h TRP 552 N 1.21 0.00 -0.01 4.33 4.06 -0.60 -2.61 115.95 122.33 3fgo h TRP 552 Ca 0.29 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.24 3fgo h TRP 552 Cb 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.27 3fgo h TRP 552 CO 0.02 0.18 -0.10 0.41 -3.56 0.00 0.00 178.44 175.38 3fgo n GLY 553 N -0.62 -0.46 0.16 1.49 0.00 -0.66 -0.97 105.19 104.13 3fgo n GLY 553 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3fgo n GLY 553 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fgo n THR 554 N -0.40 0.00 0.00 2.61 -2.24 -1.07 -4.28 114.28 108.90 3fgo n THR 554 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 3fgo n THR 554 Cb 0.32 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 3fgo n THR 554 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fgo n GLY 555 N 0.00 -1.96 0.07 3.38 0.00 -1.01 -4.60 105.19 101.07 3fgo n GLY 555 Ca 0.00 -1.39 0.05 0.00 0.00 0.00 0.00 46.02 44.68 3fgo n GLY 555 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fgo n ARG 556 N 0.00 0.06 0.01 1.61 1.74 -1.26 -4.10 116.66 114.73 3fgo n ARG 556 Ca 0.00 0.55 -0.01 0.00 -0.77 0.00 0.00 57.85 57.62 3fgo n ARG 556 Cb 0.00 -1.70 -0.00 0.00 -1.02 0.00 0.00 32.46 29.73 3fgo n ARG 556 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3fgo h ASP 557 N 0.00 -0.05 -6.30 0.55 3.32 -1.84 -3.47 116.42 108.63 3fgo h ASP 557 Ca 0.00 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.60 3fgo h ASP 557 Cb 0.01 0.01 0.02 0.00 0.22 0.00 0.00 39.33 39.59 3fgo h ASP 557 CO 0.00 0.08 -0.89 0.41 -1.72 0.00 0.00 179.24 177.12 3fgo n THR 558 N -2.82 -4.27 -3.54 0.35 -1.04 -1.12 -4.92 114.28 96.92 3fgo n THR 558 Ca -0.01 -0.63 -0.31 0.00 -2.04 0.00 0.00 64.05 61.06 3fgo n THR 558 Cb 0.03 -3.46 -0.05 0.00 -1.82 0.00 0.00 70.33 65.03 3fgo n THR 558 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3fgo s LEU 559 N -6.73 4.20 -0.12 -4.42 1.43 -0.14 -4.87 118.68 108.03 3fgo s LEU 559 Ca 0.13 0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 53.64 3fgo s LEU 559 Cb -0.05 -3.46 -0.01 0.00 0.03 0.00 0.00 46.19 42.70 3fgo s LEU 559 CO 0.86 -0.04 1.07 -0.13 0.23 0.00 0.00 176.35 178.34 3fgo s ARG 560 N -2.91 4.37 -0.10 1.70 0.52 0.12 -4.29 118.95 118.37 3fgo s ARG 560 Ca 0.43 1.47 -0.02 0.00 -0.52 0.00 0.00 55.73 57.09 3fgo s ARG 560 Cb -0.11 -3.58 -0.03 0.00 0.52 0.00 0.00 34.95 31.75 3fgo s ARG 560 CO 0.25 -0.42 -0.01 0.00 0.02 0.00 0.00 175.30 175.13 3fgo s LEU 562 N -0.64 3.03 -0.01 0.00 1.43 -0.25 -4.54 118.68 117.70 3fgo s LEU 562 Ca 0.10 -0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 53.03 3fgo s LEU 562 Cb -0.12 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 3fgo s LEU 562 CO 0.02 0.35 0.28 0.00 0.23 0.00 0.00 176.35 177.24 3fgo s ALA 563 N -0.80 3.81 -0.10 4.21 0.00 -0.18 -1.66 121.76 127.04 3fgo s ALA 563 Ca 0.12 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 51.62 3fgo s ALA 563 Cb -0.11 -2.13 -0.00 0.00 0.00 0.00 0.00 23.12 20.88 3fgo s ALA 563 CO 0.01 0.60 -0.23 -0.51 0.00 0.00 0.00 175.76 175.64 3fgo s LEU 564 N -1.49 2.16 0.18 0.00 1.43 0.11 -2.16 118.68 118.91 3fgo s LEU 564 Ca 0.25 -0.54 -0.07 0.00 -1.03 0.00 0.00 54.13 52.75 3fgo s LEU 564 Cb -0.14 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 3fgo s LEU 564 CO 0.13 0.16 0.25 0.00 0.23 0.00 0.00 176.35 177.12 3fgo s ALA 565 N 0.36 0.33 -0.01 4.21 0.00 0.87 0.49 121.76 128.02 3fgo s ALA 565 Ca -0.18 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 50.65 3fgo s ALA 565 Cb -0.18 1.00 0.00 0.00 0.00 0.00 0.00 23.12 23.95 3fgo s ALA 565 CO 0.08 -0.65 -0.03 -0.08 0.00 0.00 0.00 175.76 175.09 3fgo s THR 566 N -4.03 0.28 -0.41 0.00 -1.32 -0.82 0.13 115.64 109.46 3fgo s THR 566 Ca 0.23 -0.11 -0.25 0.00 -1.21 0.00 0.00 61.69 60.35 3fgo s THR 566 Cb 0.04 -0.27 0.02 0.00 -1.51 0.00 0.00 72.50 70.78 3fgo s THR 566 CO 0.04 0.10 0.90 -0.60 -2.21 0.00 0.00 174.62 172.85 3fgo s ARG 567 N 0.17 3.67 0.28 7.08 3.52 0.74 -0.78 118.95 133.62 3fgo s ARG 567 Ca -0.01 0.33 -0.00 0.00 -0.13 0.00 0.00 55.73 55.91 3fgo s ARG 567 Cb -0.04 -3.87 0.39 0.00 -1.56 0.00 0.00 34.95 29.87 3fgo s ARG 567 CO -0.00 -1.07 1.77 -0.44 -0.81 0.00 0.00 175.30 174.75 3fgo h ASP 568 N 8.78 0.67 -3.39 -2.12 3.45 -1.86 -2.90 116.42 119.04 3fgo h ASP 568 Ca -0.24 -0.17 -0.62 0.00 0.43 0.00 0.00 57.03 56.44 3fgo h ASP 568 Cb 1.08 -0.18 -0.41 0.00 -0.56 0.00 0.00 39.33 39.26 3fgo h ASP 568 CO 0.99 0.77 -0.69 -0.89 -1.57 0.00 0.00 179.24 177.85 3fgo s THR 569 N -4.90 2.05 0.88 0.35 2.01 -1.26 -4.80 115.64 109.96 3fgo s THR 569 Ca -0.09 -3.35 -0.11 0.00 0.31 0.00 0.00 61.69 58.45 3fgo s THR 569 Cb 0.15 -2.39 0.12 0.00 0.01 0.00 0.00 72.50 70.38 3fgo s THR 569 CO 0.80 -0.96 1.09 -2.16 -0.69 0.00 0.00 174.62 172.70 3fgo s PRO 570 N -0.48 1.42 1.13 4.92 0.05 -1.26 -5.01 135.00 135.77 3fgo s PRO 570 Ca 0.22 0.82 -0.12 0.00 0.05 0.00 0.00 61.00 61.97 3fgo s PRO 570 Cb -0.14 -1.83 0.26 0.00 0.05 0.00 0.00 34.50 32.85 3fgo s PRO 570 CO -0.09 -2.13 1.05 -2.14 0.05 0.00 0.00 177.00 173.75 3fgo s PRO 571 N -4.96 -0.63 0.29 0.56 0.02 -1.26 -4.97 135.00 124.06 3fgo s PRO 571 Ca 0.63 1.03 -0.28 0.00 0.02 0.00 0.00 61.00 62.40 3fgo s PRO 571 Cb -0.17 -1.57 -0.09 0.00 0.02 0.00 0.00 34.50 32.68 3fgo s PRO 571 CO 0.57 -3.59 0.98 0.15 -0.33 0.00 0.00 177.00 174.78 3fgo s LYS 572 N -4.46 4.65 0.35 5.54 3.01 -1.26 -4.91 119.74 122.66 3fgo s LYS 572 Ca 0.68 1.50 0.16 0.00 -1.01 0.00 0.00 55.97 57.30 3fgo s LYS 572 Cb -0.25 -3.03 1.19 0.00 -1.01 0.00 0.00 37.83 34.73 3fgo s LYS 572 CO 0.64 0.31 1.59 0.00 0.51 0.00 0.00 175.35 178.39 3fgo h ARG 573 N 3.59 0.03 0.00 1.68 3.08 -1.95 0.18 114.38 120.99 3fgo h ARG 573 Ca -0.46 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.57 3fgo h ARG 573 Cb 1.20 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 3fgo h ARG 573 CO 0.66 0.02 -0.06 0.93 -1.07 0.00 0.00 179.97 180.45 3fgo h GLU 574 N 0.03 0.00 -0.05 0.04 3.07 -2.03 -2.26 114.58 113.38 3fgo h GLU 574 Ca 0.78 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.64 3fgo h GLU 574 Cb 1.96 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.87 3fgo h GLU 574 CO -0.79 0.06 0.00 0.39 -1.40 0.00 0.00 179.01 177.27 3fgo n GLU 575 N -3.15 1.30 -5.04 2.33 1.02 0.64 -4.83 120.64 112.91 3fgo n GLU 575 Ca 0.02 -0.44 -0.32 0.00 -0.02 0.00 0.00 57.16 56.39 3fgo n GLU 575 Cb 0.41 -1.39 -0.16 0.00 -0.02 0.00 0.00 31.44 30.28 3fgo n GLU 575 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3fgo s MET 576 N -1.94 3.15 -0.23 3.49 -1.94 -0.85 -4.97 119.30 116.00 3fgo s MET 576 Ca 0.35 -0.80 -0.18 0.00 -1.71 0.00 0.00 55.69 53.35 3fgo s MET 576 Cb 0.17 -2.43 -0.03 0.00 2.01 0.00 0.00 34.83 34.55 3fgo s MET 576 CO 0.28 0.22 0.53 0.54 -0.01 0.00 0.00 175.02 176.57 3fgo s VAL 577 N 0.29 5.08 -1.04 -6.03 0.11 -1.26 -4.95 120.40 112.59 3fgo s VAL 577 Ca -0.14 0.95 0.27 0.00 -2.93 0.00 0.00 61.98 60.12 3fgo s VAL 577 Cb -0.17 -3.85 0.12 0.00 -1.53 0.00 0.00 36.38 30.96 3fgo s VAL 577 CO 0.07 0.12 1.64 0.18 -3.33 0.00 0.00 175.10 173.78 3fgo n LEU 578 N 5.18 0.31 -0.57 2.54 4.77 -1.26 -4.03 117.00 123.95 3fgo n LEU 578 Ca -0.04 0.19 0.12 0.00 -0.03 0.00 0.00 56.01 56.25 3fgo n LEU 578 Cb 0.50 -0.34 0.41 0.00 -2.33 0.00 0.00 43.42 41.66 3fgo n LEU 578 CO 0.41 0.08 0.80 -0.90 -1.33 0.00 0.00 177.39 176.45 3fgo n ASP 579 N -1.46 1.73 -3.84 -1.43 3.85 -1.26 -4.68 116.55 109.46 3fgo n ASP 579 Ca 0.07 -1.66 -0.30 0.00 -0.71 0.00 0.00 54.79 52.19 3fgo n ASP 579 Cb 0.33 -0.07 -0.15 0.00 -1.35 0.00 0.00 41.12 39.88 3fgo n ASP 579 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3fgo s ASP 580 N -1.73 4.26 0.62 -1.12 3.68 -1.26 -4.98 116.67 116.15 3fgo s ASP 580 Ca 0.34 -1.94 0.38 0.00 2.13 0.00 0.00 52.55 53.46 3fgo s ASP 580 Cb 0.19 -1.16 2.02 0.00 -1.45 0.00 0.00 42.92 42.52 3fgo s ASP 580 CO 0.29 -0.39 2.25 0.77 0.13 0.00 0.00 175.17 178.23 3fgo h SER 581 N 7.76 0.00 0.28 -0.34 4.64 -1.90 -0.29 113.55 123.70 3fgo h SER 581 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3fgo h SER 581 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3fgo h SER 581 CO 0.50 0.02 0.00 0.77 -0.87 0.00 0.00 176.83 177.24 3fgo h SER 582 N 0.00 0.00 0.38 4.97 4.64 -1.97 -1.58 113.55 119.99 3fgo h SER 582 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fgo h SER 582 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3fgo h SER 582 CO 0.00 0.00 -0.72 0.54 -0.87 0.00 0.00 176.83 175.78 3fgo n ARG 583 N -2.68 0.06 -0.27 4.77 5.12 -0.12 -4.48 116.66 119.07 3fgo n ARG 583 Ca -0.01 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.85 3fgo n ARG 583 Cb 0.12 -1.52 0.07 0.00 -1.16 0.00 0.00 32.46 29.96 3fgo n ARG 583 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 3fgo h PHE 584 N 0.00 1.19 -0.64 -1.55 0.05 -1.42 -2.50 116.94 112.07 3fgo h PHE 584 Ca 0.00 -0.12 0.10 0.00 3.82 0.00 0.00 57.97 61.77 3fgo h PHE 584 Cb 0.55 -0.35 -0.07 0.00 2.00 0.00 0.00 35.95 38.08 3fgo h PHE 584 CO 0.00 0.93 0.26 1.98 -0.18 0.00 0.00 178.31 181.30 3fgo h MET 585 N 1.11 0.44 -0.67 1.51 4.05 -1.78 -1.45 114.93 118.13 3fgo h MET 585 Ca 0.24 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.59 3fgo h MET 585 Cb 0.30 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.97 3fgo h MET 585 CO -0.01 0.29 0.25 1.49 0.23 0.00 0.00 176.91 179.16 3fgo h GLU 586 N 0.45 1.02 0.00 0.39 4.57 -1.75 -1.66 114.58 117.60 3fgo h GLU 586 Ca 0.32 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 3fgo h GLU 586 Cb 0.39 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.82 3fgo h GLU 586 CO -0.31 0.86 -0.12 1.88 -1.18 0.00 0.00 179.01 180.15 3fgo h TYR 587 N 0.96 0.00 -2.13 0.92 0.05 -1.19 -2.96 116.97 112.62 3fgo h TYR 587 Ca 0.22 0.00 -0.79 0.00 0.05 0.00 0.00 58.73 58.21 3fgo h TYR 587 Cb 0.24 0.00 -0.27 0.00 1.01 0.00 0.00 36.73 37.71 3fgo h TYR 587 CO 0.02 0.12 1.03 0.39 -1.05 0.00 0.00 178.16 178.66 3fgo n GLU 588 N -3.99 4.20 -4.53 4.88 1.02 -0.62 -4.85 120.64 116.75 3fgo n GLU 588 Ca -0.02 -4.15 -0.25 0.00 -0.02 0.00 0.00 57.16 52.72 3fgo n GLU 588 Cb 0.20 -2.38 -0.10 0.00 -0.02 0.00 0.00 31.44 29.15 3fgo n GLU 588 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3fgo s THR 589 N -4.68 1.16 -1.42 2.62 -4.23 -1.12 -4.76 115.64 103.21 3fgo s THR 589 Ca 0.45 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.88 3fgo s THR 589 Cb 0.31 -2.63 0.02 0.00 1.34 0.00 0.00 72.50 71.53 3fgo s THR 589 CO -0.26 0.00 1.03 -0.67 -0.54 0.00 0.00 174.62 174.18 3fgo n ASP 590 N -0.96 -6.18 -4.88 3.99 2.03 -1.13 -4.95 116.55 104.47 3fgo n ASP 590 Ca -0.06 -0.50 -0.30 0.00 0.52 0.00 0.00 54.79 54.45 3fgo n ASP 590 Cb 0.66 -4.90 0.06 0.00 -0.72 0.00 0.00 41.12 36.22 3fgo n ASP 590 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3fgo s LEU 591 N -7.17 2.81 -0.25 -2.67 1.43 -0.28 -4.52 118.68 108.03 3fgo s LEU 591 Ca 0.53 1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 54.71 3fgo s LEU 591 Cb -0.24 -3.82 0.03 0.00 0.03 0.00 0.00 46.19 42.19 3fgo s LEU 591 CO 0.66 -1.48 -0.07 -0.89 0.23 0.00 0.00 176.35 174.80 3fgo s THR 592 N -3.38 2.77 0.23 5.49 2.01 0.04 -0.65 115.64 122.16 3fgo s THR 592 Ca 0.59 -1.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 3fgo s THR 592 Cb -0.11 -2.42 -0.09 0.00 0.01 0.00 0.00 72.50 69.88 3fgo s THR 592 CO 0.52 0.19 1.33 0.12 -0.69 0.00 0.00 174.62 176.09 3fgo s PHE 593 N 1.30 3.18 -0.12 4.92 2.19 -0.02 -1.95 117.98 127.47 3fgo s PHE 593 Ca -0.01 1.22 -0.05 0.00 0.33 0.00 0.00 56.93 58.43 3fgo s PHE 593 Cb -0.17 -3.66 -0.06 0.00 -1.31 0.00 0.00 43.02 37.83 3fgo s PHE 593 CO -0.05 -2.02 -0.15 0.28 1.83 0.00 0.00 175.22 175.11 3fgo n VAL 594 N 2.22 0.69 -3.93 3.12 0.31 0.18 -1.28 118.33 119.63 3fgo n VAL 594 Ca 0.05 -0.19 0.01 0.00 -0.01 0.00 0.00 64.34 64.19 3fgo n VAL 594 Cb 0.42 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 3fgo n VAL 594 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fgo n GLY 595 N 2.38 0.45 2.94 2.92 0.00 -0.97 -4.08 105.19 108.83 3fgo n GLY 595 Ca -0.24 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 3fgo n GLY 595 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fgo s VAL 596 N -2.08 0.03 0.05 1.61 1.01 -0.43 0.06 120.40 120.66 3fgo s VAL 596 Ca 0.08 -0.24 0.08 0.00 0.00 0.00 0.00 61.98 61.91 3fgo s VAL 596 Cb -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.22 3fgo s VAL 596 CO -0.00 -0.13 -0.24 0.68 0.00 0.00 0.00 175.10 175.41 3fgo s VAL 597 N -0.38 1.90 -0.13 2.92 -7.23 -0.66 -0.97 120.40 115.85 3fgo s VAL 597 Ca -0.04 -1.30 0.01 0.00 -1.81 0.00 0.00 61.98 58.84 3fgo s VAL 597 Cb -0.03 -1.64 0.02 0.00 0.56 0.00 0.00 36.38 35.29 3fgo s VAL 597 CO -0.00 0.28 -0.15 -0.83 -0.31 0.00 0.00 175.10 174.10 3fgo s GLY 598 N -1.22 1.08 0.28 2.32 0.00 0.07 -1.09 107.32 108.77 3fgo s GLY 598 Ca 0.10 -0.82 0.11 0.00 0.00 0.00 0.00 44.72 44.11 3fgo s GLY 598 CO 0.02 0.40 -0.16 -3.16 0.00 0.00 0.00 173.10 170.20 3fgo s MET 599 N 1.26 1.80 0.11 2.90 0.23 0.31 -1.04 119.30 124.88 3fgo s MET 599 Ca -0.00 -1.71 -0.11 0.00 -1.03 0.00 0.00 55.69 52.84 3fgo s MET 599 Cb -0.14 -1.84 0.01 0.00 -1.53 0.00 0.00 34.83 31.33 3fgo s MET 599 CO -0.06 0.33 0.26 -0.48 -2.03 0.00 0.00 175.02 173.03 3fgo s LEU 600 N -3.55 1.09 -0.51 0.18 2.34 -0.69 -0.70 118.68 116.85 3fgo s LEU 600 Ca 0.30 -0.60 -0.23 0.00 0.06 0.00 0.00 54.13 53.67 3fgo s LEU 600 Cb -0.05 1.27 0.04 0.00 -0.56 0.00 0.00 46.19 46.89 3fgo s LEU 600 CO 0.16 -0.79 0.85 -0.62 -1.06 0.00 0.00 176.35 174.89 3fgo s ASP 601 N -2.86 6.35 0.36 1.48 2.15 -1.26 -0.98 116.67 121.91 3fgo s ASP 601 Ca 0.06 -0.34 -0.01 0.00 0.43 0.00 0.00 52.55 52.69 3fgo s ASP 601 Cb 0.04 -2.40 -0.03 0.00 -0.30 0.00 0.00 42.92 40.22 3fgo s ASP 601 CO -0.10 -1.08 0.58 -2.16 -0.17 0.00 0.00 175.17 172.25 3fgo s PRO 602 N 3.54 3.50 0.49 4.34 0.04 -1.26 -4.78 135.00 140.87 3fgo s PRO 602 Ca 0.28 -0.23 -0.23 0.00 0.04 0.00 0.00 61.00 60.86 3fgo s PRO 602 Cb -0.13 -2.62 -0.07 0.00 0.04 0.00 0.00 34.50 31.72 3fgo s PRO 602 CO 0.19 0.10 1.29 -2.14 0.04 0.00 0.00 177.00 176.49 3fgo s PRO 603 N -4.33 3.52 0.54 0.56 0.02 -1.26 -1.31 135.00 132.73 3fgo s PRO 603 Ca 0.41 2.09 -0.22 0.00 0.02 0.00 0.00 61.00 63.30 3fgo s PRO 603 Cb -0.10 -2.42 -0.05 0.00 0.02 0.00 0.00 34.50 31.95 3fgo s PRO 603 CO 0.37 -0.84 1.36 1.03 -0.33 0.00 0.00 177.00 178.59 3fgo s ARG 604 N -2.69 3.17 0.47 5.54 0.52 -0.46 -4.71 118.95 120.78 3fgo s ARG 604 Ca 0.66 2.23 0.13 0.00 -0.52 0.00 0.00 55.73 58.23 3fgo s ARG 604 Cb -0.37 -2.27 1.09 0.00 0.52 0.00 0.00 34.95 33.93 3fgo s ARG 604 CO 0.44 -1.17 2.08 1.57 0.02 0.00 0.00 175.30 178.25 3fgo h LYS 605 N 1.49 0.26 -0.00 3.54 2.10 -1.94 -2.86 116.57 119.16 3fgo h LYS 605 Ca -0.51 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 3fgo h LYS 605 Cb 1.30 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3fgo h LYS 605 CO 0.57 0.17 -0.38 -0.85 -2.00 0.00 0.00 179.45 176.96 3fgo n GLU 606 N -4.49 0.27 -0.05 0.07 0.00 -1.26 -4.38 120.64 110.80 3fgo n GLU 606 Ca 0.02 -0.15 -0.11 0.00 0.00 0.00 0.00 57.16 56.93 3fgo n GLU 606 Cb 0.16 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.06 3fgo n GLU 606 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3fgo h VAL 607 N 0.36 1.13 -0.29 3.84 2.07 -1.84 -1.62 116.25 119.90 3fgo h VAL 607 Ca 0.00 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.20 3fgo h VAL 607 Cb 0.49 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 3fgo h VAL 607 CO 0.00 0.12 -0.05 -0.03 0.02 0.00 0.00 177.57 177.64 3fgo h MET 608 N 0.18 0.03 -0.15 1.57 1.85 -1.76 0.22 114.93 116.86 3fgo h MET 608 Ca 0.06 -0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 59.09 3fgo h MET 608 Cb 0.12 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.13 3fgo h MET 608 CO -0.01 0.02 -0.20 0.78 -0.40 0.00 0.00 176.91 177.09 3fgo h GLY 609 N 0.03 0.27 1.07 1.39 0.00 -1.79 -2.29 103.07 101.75 3fgo h GLY 609 Ca 0.14 -0.19 -0.14 0.00 0.00 0.00 0.00 47.33 47.14 3fgo h GLY 609 CO -0.28 0.18 -0.29 1.76 0.00 0.00 0.00 176.54 177.90 3fgo h SER 610 N 0.23 0.93 -0.56 0.19 0.02 -0.46 -2.28 113.55 111.63 3fgo h SER 610 Ca 0.04 -0.44 0.01 0.00 -0.84 0.00 0.00 61.79 60.56 3fgo h SER 610 Cb 0.50 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 3fgo h SER 610 CO 0.03 1.17 0.36 0.40 -1.14 0.00 0.00 176.83 177.66 3fgo h ILE 611 N 0.70 1.12 -0.38 3.27 1.08 -0.67 -0.74 117.51 121.88 3fgo h ILE 611 Ca 0.07 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 3fgo h ILE 611 Cb 0.87 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 34.93 3fgo h ILE 611 CO 0.08 0.13 0.25 -0.61 -0.69 0.00 0.00 178.15 177.31 3fgo h GLN 612 N 0.73 0.51 -0.82 2.37 5.75 -1.30 0.05 115.11 122.41 3fgo h GLN 612 Ca 0.21 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.68 3fgo h GLN 612 Cb -0.05 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.35 3fgo h GLN 612 CO -0.06 0.35 0.53 -0.07 -2.65 0.00 0.00 178.83 176.93 3fgo h LEU 613 N 0.52 0.94 0.02 -2.39 3.38 -1.05 0.85 115.31 117.59 3fgo h LEU 613 Ca 0.14 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3fgo h LEU 613 Cb -0.05 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.47 3fgo h LEU 613 CO -0.03 0.69 -0.01 0.00 0.09 0.00 0.00 178.44 179.18 3fgo h ARG 615 N -0.08 0.37 0.00 0.00 2.43 -0.37 0.13 114.38 116.87 3fgo h ARG 615 Ca -0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3fgo h ARG 615 Cb 0.07 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3fgo h ARG 615 CO 0.00 0.24 0.00 -0.44 -1.51 0.00 0.00 179.97 178.27 3fgo h ASP 616 N 0.38 0.00 -0.49 -3.80 3.32 -0.33 -0.46 116.42 115.04 3fgo h ASP 616 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 3fgo h ASP 616 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3fgo h ASP 616 CO -0.39 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.13 3fgo n ALA 617 N -1.99 2.34 -2.25 3.45 0.00 0.21 -4.44 120.51 117.82 3fgo n ALA 617 Ca -0.01 -1.28 -0.08 0.00 0.00 0.00 0.00 53.44 52.06 3fgo n ALA 617 Cb 0.12 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3fgo n ALA 617 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fgo n GLY 618 N 0.87 0.08 3.39 0.00 0.00 -0.18 -3.62 105.19 105.72 3fgo n GLY 618 Ca 0.17 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 3fgo n GLY 618 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fgo s ILE 619 N -2.49 3.13 0.12 -0.61 1.01 0.19 -4.45 121.20 118.10 3fgo s ILE 619 Ca 0.03 -0.64 -0.15 0.00 0.00 0.00 0.00 60.65 59.90 3fgo s ILE 619 Cb -0.01 -2.32 -0.07 0.00 0.01 0.00 0.00 42.46 40.07 3fgo s ILE 619 CO 0.03 0.52 0.53 -0.13 0.00 0.00 0.00 174.94 175.90 3fgo s ARG 620 N 0.30 3.99 -0.12 2.79 0.52 -0.63 -3.19 118.95 122.60 3fgo s ARG 620 Ca -0.09 0.49 0.00 0.00 -0.52 0.00 0.00 55.73 55.61 3fgo s ARG 620 Cb -0.16 -3.00 -0.02 0.00 0.52 0.00 0.00 34.95 32.30 3fgo s ARG 620 CO 0.05 0.52 -0.13 0.08 0.02 0.00 0.00 175.30 175.84 3fgo s VAL 621 N -1.39 3.05 -0.12 3.52 1.01 -1.26 0.01 120.40 125.22 3fgo s VAL 621 Ca 0.35 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.68 3fgo s VAL 621 Cb -0.16 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 33.97 3fgo s VAL 621 CO 0.19 0.53 -0.17 -0.63 0.00 0.00 0.00 175.10 175.02 3fgo s ILE 622 N 0.22 1.64 0.01 2.22 1.01 -0.50 -4.83 121.20 120.98 3fgo s ILE 622 Ca -0.09 -0.72 -0.23 0.00 0.00 0.00 0.00 60.65 59.61 3fgo s ILE 622 Cb -0.15 -1.49 -0.05 0.00 0.01 0.00 0.00 42.46 40.77 3fgo s ILE 622 CO 0.05 0.47 0.70 -0.32 0.00 0.00 0.00 174.94 175.84 3fgo s MET 623 N 1.01 4.43 -0.18 2.79 -2.45 0.11 0.49 119.30 125.50 3fgo s MET 623 Ca -0.05 0.93 -0.02 0.00 -1.25 0.00 0.00 55.69 55.30 3fgo s MET 623 Cb -0.15 -3.37 0.05 0.00 1.25 0.00 0.00 34.83 32.61 3fgo s MET 623 CO -0.03 0.27 0.01 0.42 1.05 0.00 0.00 175.02 176.74 3fgo s ILE 624 N 0.06 0.65 0.02 10.11 1.01 0.14 -0.66 121.20 132.53 3fgo s ILE 624 Ca 0.36 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.50 3fgo s ILE 624 Cb -0.19 -1.06 -0.01 0.00 0.01 0.00 0.00 42.46 41.21 3fgo s ILE 624 CO 0.20 -0.10 -0.06 0.28 0.00 0.00 0.00 174.94 175.25 3fgo s THR 625 N 1.81 0.47 -0.99 2.92 -1.32 0.10 -4.00 115.64 114.64 3fgo s THR 625 Ca -0.00 -0.64 0.20 0.00 -1.21 0.00 0.00 61.69 60.04 3fgo s THR 625 Cb -0.16 -0.47 0.17 0.00 -1.51 0.00 0.00 72.50 70.52 3fgo s THR 625 CO -0.07 -0.13 1.64 0.61 -2.21 0.00 0.00 174.62 174.46 3fgo n GLY 626 N 2.23 -1.19 3.90 6.08 0.00 -1.23 -1.52 105.19 113.45 3fgo n GLY 626 Ca -0.18 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 3fgo n GLY 626 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fgo s ASP 627 N -3.05 5.47 0.75 1.61 2.15 -1.26 -3.94 116.67 118.41 3fgo s ASP 627 Ca 0.09 0.95 -0.15 0.00 0.43 0.00 0.00 52.55 53.88 3fgo s ASP 627 Cb 0.13 -1.82 0.05 0.00 -0.30 0.00 0.00 42.92 40.98 3fgo s ASP 627 CO 0.37 -1.25 1.24 0.20 -0.17 0.00 0.00 175.17 175.56 3fgo s ASN 628 N -4.35 3.92 0.17 -0.34 0.01 -1.26 -0.34 114.94 112.76 3fgo s ASN 628 Ca 0.57 2.47 -0.11 0.00 -0.71 0.00 0.00 52.86 55.08 3fgo s ASN 628 Cb -0.11 -2.60 0.05 0.00 0.41 0.00 0.00 41.25 39.00 3fgo s ASN 628 CO 0.49 -2.45 1.63 0.50 -1.51 0.00 0.00 177.10 175.76 3fgo h LYS 629 N -0.40 0.97 -0.33 -0.60 3.64 -1.96 -1.39 116.57 116.51 3fgo h LYS 629 Ca -0.48 -0.30 0.05 0.00 -1.27 0.00 0.00 60.65 58.65 3fgo h LYS 629 Cb 1.31 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 3fgo h LYS 629 CO 0.48 0.96 0.06 0.78 -2.27 0.00 0.00 179.45 179.47 3fgo h GLY 630 N 0.86 0.38 1.00 5.01 0.00 -2.00 0.74 103.07 109.06 3fgo h GLY 630 Ca 0.16 -0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.36 3fgo h GLY 630 CO 0.02 -0.02 -0.25 -0.84 0.00 0.00 0.00 176.54 175.45 3fgo h THR 631 N 0.18 1.29 -0.16 4.70 2.02 -1.85 -1.88 112.91 117.20 3fgo h THR 631 Ca 0.16 -1.40 0.03 0.00 0.77 0.00 0.00 66.41 65.96 3fgo h THR 631 Cb 0.18 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 3fgo h THR 631 CO -0.21 0.46 -0.02 0.00 0.37 0.00 0.00 175.52 176.12 3fgo h ALA 632 N 0.76 0.12 -0.51 6.16 0.00 -1.01 0.47 119.26 125.25 3fgo h ALA 632 Ca 0.07 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3fgo h ALA 632 Cb 0.82 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3fgo h ALA 632 CO 0.07 -0.47 0.16 0.82 0.00 0.00 0.00 179.25 179.83 3fgo h ILE 633 N 0.02 1.23 -0.42 0.00 2.04 -0.73 -1.11 117.51 118.55 3fgo h ILE 633 Ca 0.07 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.16 3fgo h ILE 633 Cb 0.10 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3fgo h ILE 633 CO -0.14 0.29 0.28 0.00 0.00 0.00 0.00 178.15 178.57 3fgo h ALA 634 N 1.02 0.53 -0.66 1.87 0.00 -1.01 0.47 119.26 121.48 3fgo h ALA 634 Ca 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3fgo h ALA 634 Cb 0.28 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3fgo h ALA 634 CO -0.00 -0.02 0.32 0.82 0.00 0.00 0.00 179.25 180.37 3fgo h ILE 635 N 0.56 1.22 -0.85 0.00 1.08 -0.78 -1.25 117.51 117.49 3fgo h ILE 635 Ca 0.16 -0.61 0.16 0.00 -0.39 0.00 0.00 64.86 64.18 3fgo h ILE 635 Cb -0.06 0.41 -0.06 0.00 -3.07 0.00 0.00 36.82 34.05 3fgo h ILE 635 CO -0.04 0.25 0.56 0.00 -0.69 0.00 0.00 178.15 178.23 3fgo h ARG 637 N 0.52 0.17 -0.58 0.00 3.08 -0.26 -0.60 114.38 116.71 3fgo h ARG 637 Ca 0.43 -0.16 0.11 0.00 0.07 0.00 0.00 59.98 60.43 3fgo h ARG 637 Cb 0.88 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 3fgo h ARG 637 CO -0.17 0.86 0.39 0.00 -1.07 0.00 0.00 179.97 179.99 3fgo h ARG 638 N -0.46 0.30 -0.58 0.04 3.08 -0.46 -2.43 114.38 113.88 3fgo h ARG 638 Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3fgo h ARG 638 Cb 0.92 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3fgo h ARG 638 CO 0.04 0.20 0.00 0.44 -1.07 0.00 0.00 179.97 179.58 3fgo n ILE 639 N -4.46 0.77 -1.00 2.04 -5.35 -0.20 -4.91 119.36 106.25 3fgo n ILE 639 Ca 0.10 -0.86 0.00 0.00 -0.27 0.00 0.00 62.75 61.72 3fgo n ILE 639 Cb 0.42 0.66 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 3fgo n ILE 639 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fgo n GLY 640 N 1.58 0.43 0.33 3.28 0.00 -0.91 -4.36 105.19 105.53 3fgo n GLY 640 Ca 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.18 3fgo n GLY 640 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3fgo h ILE 641 N 0.00 1.25 -2.48 -0.61 2.04 -1.39 -3.44 117.51 112.88 3fgo h ILE 641 Ca 0.00 -0.88 -0.62 0.00 1.00 0.00 0.00 64.86 64.36 3fgo h ILE 641 Cb 0.15 0.47 -0.15 0.00 -0.74 0.00 0.00 36.82 36.56 3fgo h ILE 641 CO 0.00 0.35 -0.76 -0.36 0.00 0.00 0.00 178.15 177.37 3fgo s PHE 642 N -5.38 2.34 0.72 1.37 2.99 -0.87 -5.00 117.98 114.15 3fgo s PHE 642 Ca -0.12 -0.32 -0.12 0.00 0.00 0.00 0.00 56.93 56.37 3fgo s PHE 642 Cb 0.15 -1.06 0.03 0.00 0.00 0.00 0.00 43.02 42.15 3fgo s PHE 642 CO 0.83 0.65 1.10 0.20 -0.00 0.00 0.00 175.22 178.00 3fgo s GLY 643 N -3.29 1.88 0.39 4.36 0.00 -1.26 -4.40 107.32 105.00 3fgo s GLY 643 Ca 0.28 0.37 0.28 0.00 0.00 0.00 0.00 44.72 45.65 3fgo s GLY 643 CO 0.14 0.72 1.84 0.83 0.00 0.00 0.00 173.10 176.63 3fgo h GLU 644 N -0.60 0.00 0.00 2.90 5.08 -1.96 -2.81 114.58 117.19 3fgo h GLU 644 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3fgo h GLU 644 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3fgo h GLU 644 CO 0.53 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.63 3fgo n ASN 645 N -2.50 0.84 -4.63 1.42 3.02 -1.26 -5.03 115.26 107.13 3fgo n ASN 645 Ca -0.00 -1.23 -0.40 0.00 -0.03 0.00 0.00 54.58 52.91 3fgo n ASN 645 Cb 0.15 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.34 3fgo n ASN 645 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3fgo n GLU 646 N -0.12 1.34 -3.57 3.52 2.13 -1.06 -4.95 120.64 117.93 3fgo n GLU 646 Ca 0.00 0.49 -0.37 0.00 0.66 0.00 0.00 57.16 57.94 3fgo n GLU 646 Cb 0.19 -2.13 -0.09 0.00 0.27 0.00 0.00 31.44 29.68 3fgo n GLU 646 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3fgo s GLU 647 N -2.23 4.13 -0.11 5.31 -6.30 -1.26 -4.90 118.70 113.33 3fgo s GLU 647 Ca 0.66 -0.09 0.16 0.00 -2.50 0.00 0.00 54.97 53.20 3fgo s GLU 647 Cb -0.51 -3.52 0.27 0.00 0.00 0.00 0.00 34.13 30.37 3fgo s GLU 647 CO 0.55 0.06 1.16 1.33 0.02 0.00 0.00 175.26 178.37 3fgo n VAL 648 N 4.19 1.79 -0.34 3.70 0.24 -1.26 -4.81 118.33 121.84 3fgo n VAL 648 Ca -0.13 -2.03 0.00 0.00 -2.04 0.00 0.00 64.34 60.14 3fgo n VAL 648 Cb 0.52 -0.13 0.05 0.00 -1.47 0.00 0.00 33.84 32.81 3fgo n VAL 648 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fgo n ALA 649 N -1.19 -0.04 -1.24 2.33 0.00 -1.26 -0.29 120.51 118.82 3fgo n ALA 649 Ca 0.14 0.90 -0.04 0.00 0.00 0.00 0.00 53.44 54.44 3fgo n ALA 649 Cb 0.61 -0.43 0.23 0.00 0.00 0.00 0.00 19.45 19.85 3fgo n ALA 649 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3fgo n ASP 650 N -5.33 3.40 -0.05 0.00 5.75 -1.26 -4.30 116.55 114.76 3fgo n ASP 650 Ca 0.10 -3.47 0.01 0.00 -0.01 0.00 0.00 54.79 51.42 3fgo n ASP 650 Cb 0.37 -0.66 -0.00 0.00 -1.03 0.00 0.00 41.12 39.80 3fgo n ASP 650 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3fgo n ARG 651 N -0.82 3.46 -4.07 0.11 1.74 0.61 -4.51 116.66 113.18 3fgo n ARG 651 Ca 0.36 -0.27 -0.18 0.00 -0.77 0.00 0.00 57.85 56.98 3fgo n ARG 651 Cb 1.15 -0.80 -0.16 0.00 -1.02 0.00 0.00 32.46 31.64 3fgo n ARG 651 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fgo s ALA 652 N -0.86 0.50 0.01 7.54 0.00 -0.72 -1.28 121.76 126.96 3fgo s ALA 652 Ca 0.02 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.03 3fgo s ALA 652 Cb 0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 3fgo s ALA 652 CO 0.08 -0.02 -0.07 0.71 0.00 0.00 0.00 175.76 176.47 3fgo s TYR 653 N 0.85 0.60 0.87 0.00 2.02 0.06 -4.89 117.35 116.86 3fgo s TYR 653 Ca -0.10 -0.22 -0.11 0.00 -0.37 0.00 0.00 57.07 56.26 3fgo s TYR 653 Cb -0.13 -0.38 0.11 0.00 -0.40 0.00 0.00 41.96 41.17 3fgo s TYR 653 CO -0.01 -0.03 1.09 0.95 -1.57 0.00 0.00 175.55 175.99 3fgo s THR 654 N -0.52 2.76 0.19 -0.71 -4.23 -1.26 0.06 115.64 111.94 3fgo s THR 654 Ca -0.01 0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.63 3fgo s THR 654 Cb -0.05 -2.77 0.11 0.00 1.34 0.00 0.00 72.50 71.13 3fgo s THR 654 CO 0.00 -0.32 1.79 1.23 -0.54 0.00 0.00 174.62 176.78 3fgo h GLY 655 N -1.45 0.82 0.85 3.99 0.00 -0.92 -0.66 103.07 105.70 3fgo h GLY 655 Ca -0.49 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 46.64 3fgo h GLY 655 CO 0.55 0.13 -0.16 3.21 0.00 0.00 0.00 176.54 180.26 3fgo h ARG 656 N 0.57 -0.36 -0.65 4.80 3.08 -1.85 0.16 114.38 120.13 3fgo h ARG 656 Ca 0.26 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.39 3fgo h ARG 656 Cb 0.16 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 3fgo h ARG 656 CO -0.17 -0.24 0.43 0.93 -1.07 0.00 0.00 179.97 179.85 3fgo h GLU 657 N -0.37 0.65 -0.41 0.04 5.08 -1.90 0.18 114.58 117.85 3fgo h GLU 657 Ca -0.01 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 3fgo h GLU 657 Cb 0.34 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3fgo h GLU 657 CO -0.01 0.43 -0.30 0.35 -1.00 0.00 0.00 179.01 178.48 3fgo h PHE 658 N 0.67 1.07 -0.46 4.33 -0.00 -0.77 -3.07 116.94 118.70 3fgo h PHE 658 Ca 0.28 -0.29 -0.09 0.00 -0.00 0.00 0.00 57.97 57.87 3fgo h PHE 658 Cb 0.23 -0.24 -0.02 0.00 -0.00 0.00 0.00 35.95 35.92 3fgo h PHE 658 CO -0.00 1.09 -0.08 -0.44 -0.00 0.00 0.00 178.31 178.89 3fgo h ASP 659 N 0.77 0.80 0.06 0.41 3.32 0.17 -2.80 116.42 119.15 3fgo h ASP 659 Ca 0.08 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.90 3fgo h ASP 659 Cb 0.88 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3fgo h ASP 659 CO 0.08 0.91 0.00 0.44 -1.72 0.00 0.00 179.24 178.95 3fgo h ASP 660 N 0.75 0.00 -4.00 6.45 3.32 -0.67 -3.44 116.42 118.83 3fgo h ASP 660 Ca 0.13 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.72 3fgo h ASP 660 Cb 0.56 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 3fgo h ASP 660 CO 0.03 0.00 0.37 -0.76 -1.72 0.00 0.00 179.24 177.16 3fgo s LEU 661 N -4.78 4.06 0.53 1.55 1.43 -1.06 -5.00 118.68 115.41 3fgo s LEU 661 Ca -0.02 1.85 -0.19 0.00 -1.03 0.00 0.00 54.13 54.73 3fgo s LEU 661 Cb 0.07 -4.34 -0.10 0.00 0.03 0.00 0.00 46.19 41.85 3fgo s LEU 661 CO 0.25 -0.40 0.46 -2.65 0.23 0.00 0.00 176.35 174.23 3fgo n PRO 662 N -0.30 0.48 0.28 1.29 -0.02 -1.26 -4.67 135.00 130.79 3fgo n PRO 662 Ca 0.06 0.18 0.11 0.00 -2.02 0.00 0.00 63.50 61.84 3fgo n PRO 662 Cb 0.52 -1.58 0.78 0.00 -0.02 0.00 0.00 33.50 33.19 3fgo n PRO 662 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3fgo h LEU 663 N 0.35 0.00 -0.26 2.45 4.07 -1.94 -1.05 115.31 118.94 3fgo h LEU 663 Ca -0.44 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.39 3fgo h LEU 663 Cb 1.40 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.14 3fgo h LEU 663 CO 0.47 0.00 -0.36 0.00 -1.08 0.00 0.00 178.44 177.47 3fgo h ALA 664 N 2.00 0.39 0.00 1.53 0.00 -2.01 -3.10 119.26 118.07 3fgo h ALA 664 Ca -0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 3fgo h ALA 664 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3fgo h ALA 664 CO 0.00 0.46 -0.58 0.93 0.00 0.00 0.00 179.25 180.06 3fgo h GLU 665 N 0.42 0.00 -0.88 0.00 5.08 -1.64 -2.53 114.58 115.03 3fgo h GLU 665 Ca 0.03 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3fgo h GLU 665 Cb 0.95 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.14 3fgo h GLU 665 CO 0.08 0.58 0.57 1.96 -1.00 0.00 0.00 179.01 181.20 3fgo h GLN 666 N 0.00 1.06 -0.23 2.33 4.20 -1.22 0.36 115.11 121.61 3fgo h GLN 666 Ca -0.01 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 3fgo h GLN 666 Cb 1.13 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 3fgo h GLN 666 CO 0.07 0.70 0.03 -0.09 -0.67 0.00 0.00 178.83 178.87 3fgo h ARG 667 N 1.09 0.38 -0.10 1.46 2.43 -1.38 -2.94 114.38 115.33 3fgo h ARG 667 Ca 0.36 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 59.31 3fgo h ARG 667 Cb 0.04 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3fgo h ARG 667 CO -0.13 0.54 -0.43 1.49 -1.51 0.00 0.00 179.97 179.93 3fgo h GLU 668 N 0.18 0.23 -0.98 0.20 4.57 -1.20 -2.55 114.58 115.02 3fgo h GLU 668 Ca 0.07 -0.11 0.09 0.00 -1.18 0.00 0.00 59.36 58.22 3fgo h GLU 668 Cb 0.35 -0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.86 3fgo h GLU 668 CO 0.01 0.62 0.62 0.00 -1.18 0.00 0.00 179.01 179.08 3fgo h ALA 669 N 1.37 1.41 0.00 2.92 0.00 -0.19 -1.25 119.26 123.52 3fgo h ALA 669 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fgo h ALA 669 Cb 0.84 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3fgo h ALA 669 CO 0.07 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.64 3fgo n ARG 671 N -2.75 0.65 -0.12 0.00 1.74 -0.50 -4.54 116.66 111.13 3fgo n ARG 671 Ca -0.01 -0.11 -0.14 0.00 -0.77 0.00 0.00 57.85 56.81 3fgo n ARG 671 Cb 0.12 -1.60 -0.13 0.00 -1.02 0.00 0.00 32.46 29.83 3fgo n ARG 671 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3fgo n ARG 672 N -2.37 0.68 -3.94 5.56 0.63 -0.59 -5.02 116.66 111.61 3fgo n ARG 672 Ca -0.03 0.08 -0.26 0.00 -0.92 0.00 0.00 57.85 56.72 3fgo n ARG 672 Cb 0.57 -1.51 -0.03 0.00 0.45 0.00 0.00 32.46 31.94 3fgo n ARG 672 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fgo s ALA 673 N -2.50 3.96 0.00 5.13 0.00 0.66 -4.82 121.76 124.20 3fgo s ALA 673 Ca -0.24 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.68 3fgo s ALA 673 Cb 0.08 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.41 3fgo s ALA 673 CO 0.68 0.52 0.42 0.00 0.00 0.00 0.00 175.76 177.38 3fgo s PHE 676 N 2.21 2.74 0.40 0.00 0.40 0.17 -0.76 117.98 123.13 3fgo s PHE 676 Ca 0.04 -1.38 0.07 0.00 -0.60 0.00 0.00 56.93 55.07 3fgo s PHE 676 Cb -0.13 -1.88 -0.08 0.00 0.51 0.00 0.00 43.02 41.44 3fgo s PHE 676 CO -0.06 -0.66 -0.00 0.00 0.70 0.00 0.00 175.22 175.20 3fgo s ALA 677 N 1.02 3.15 -1.31 5.36 0.00 0.11 0.00 121.76 130.10 3fgo s ALA 677 Ca -0.02 -2.26 -0.09 0.00 0.00 0.00 0.00 51.96 49.60 3fgo s ALA 677 Cb -0.15 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.08 3fgo s ALA 677 CO -0.06 -0.09 0.56 -2.13 0.00 0.00 0.00 175.76 174.05 3fgo n ARG 678 N -0.95 -2.52 -4.14 0.00 0.63 0.54 -0.55 116.66 109.66 3fgo n ARG 678 Ca -0.05 0.41 -0.28 0.00 -0.92 0.00 0.00 57.85 57.02 3fgo n ARG 678 Cb 0.66 -4.31 -0.07 0.00 0.45 0.00 0.00 32.46 29.19 3fgo n ARG 678 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3fgo s VAL 679 N -3.77 4.04 0.34 5.15 1.01 -1.06 -3.77 120.40 122.34 3fgo s VAL 679 Ca 0.18 -1.19 0.06 0.00 0.00 0.00 0.00 61.98 61.03 3fgo s VAL 679 Cb -0.07 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 3fgo s VAL 679 CO 0.88 -0.04 0.48 -1.61 0.00 0.00 0.00 175.10 174.81 3fgo s GLU 680 N -2.80 3.12 0.33 2.72 2.02 -1.26 -4.41 118.70 118.43 3fgo s GLU 680 Ca 0.28 -0.97 0.07 0.00 0.02 0.00 0.00 54.97 54.37 3fgo s GLU 680 Cb -0.10 -2.80 0.77 0.00 0.10 0.00 0.00 34.13 32.09 3fgo s GLU 680 CO 0.20 0.05 1.84 -1.35 0.02 0.00 0.00 175.26 176.02 3fgo h PRO 681 N 0.86 0.73 -0.90 0.39 0.11 -1.77 -0.04 132.00 131.38 3fgo h PRO 681 Ca -0.46 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.63 3fgo h PRO 681 Cb 1.26 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 3fgo h PRO 681 CO 0.53 0.48 0.60 0.77 -0.21 0.00 0.00 178.00 180.17 3fgo h SER 682 N 0.75 1.02 -0.71 -2.05 0.02 -1.95 -2.72 113.55 107.91 3fgo h SER 682 Ca 0.49 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.44 3fgo h SER 682 Cb 0.74 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 3fgo h SER 682 CO -0.25 0.72 0.47 0.45 -1.14 0.00 0.00 176.83 177.09 3fgo h HIS 683 N 1.20 0.85 -0.41 3.45 3.86 -1.38 -0.70 115.15 122.02 3fgo h HIS 683 Ca 0.34 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.48 3fgo h HIS 683 Cb -0.09 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.08 3fgo h HIS 683 CO -0.00 0.51 -0.10 0.87 0.86 0.00 0.00 177.93 180.07 3fgo h LYS 684 N 0.89 0.79 -0.34 2.45 1.57 -1.44 -1.41 116.57 119.08 3fgo h LYS 684 Ca 0.28 -0.30 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 3fgo h LYS 684 Cb 0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3fgo h LYS 684 CO -0.07 0.92 -0.39 0.66 -0.57 0.00 0.00 179.45 179.99 3fgo h SER 685 N 0.61 0.87 -0.95 0.86 4.64 -1.47 -2.44 113.55 115.67 3fgo h SER 685 Ca 0.10 -0.39 0.10 0.00 -0.47 0.00 0.00 61.79 61.13 3fgo h SER 685 Cb 0.62 -0.24 -0.08 0.00 -0.31 0.00 0.00 62.40 62.39 3fgo h SER 685 CO 0.04 1.15 0.59 0.50 -0.87 0.00 0.00 176.83 178.24 3fgo h LYS 686 N 0.66 0.95 -0.34 4.77 3.64 -0.84 0.19 116.57 125.61 3fgo h LYS 686 Ca 0.05 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 3fgo h LYS 686 Cb 0.96 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 3fgo h LYS 686 CO 0.09 0.63 -0.29 0.82 -2.27 0.00 0.00 179.45 178.43 3fgo h ILE 687 N 0.98 1.29 -0.79 2.00 2.04 -1.09 -0.20 117.51 121.73 3fgo h ILE 687 Ca 0.45 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 3fgo h ILE 687 Cb 0.37 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 3fgo h ILE 687 CO -0.24 0.47 0.41 0.58 0.00 0.00 0.00 178.15 179.38 3fgo h VAL 688 N 0.57 1.24 -0.19 1.67 2.07 -0.91 -0.01 116.25 120.69 3fgo h VAL 688 Ca 0.06 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 3fgo h VAL 688 Cb 0.86 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3fgo h VAL 688 CO 0.07 0.28 0.03 -0.08 0.02 0.00 0.00 177.57 177.89 3fgo h GLU 689 N 1.12 0.31 0.16 1.57 4.81 -0.32 -0.29 114.58 121.95 3fgo h GLU 689 Ca 0.28 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3fgo h GLU 689 Cb 0.06 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3fgo h GLU 689 CO -0.04 0.47 -0.20 1.88 -0.73 0.00 0.00 179.01 180.39 3fgo h TYR 690 N 0.10 -0.53 -0.72 0.92 0.99 -0.51 -0.72 116.97 116.51 3fgo h TYR 690 Ca 0.06 0.01 0.15 0.00 2.00 0.00 0.00 58.73 60.95 3fgo h TYR 690 Cb 0.31 0.21 -0.13 0.00 1.00 0.00 0.00 36.73 38.12 3fgo h TYR 690 CO 0.02 -0.30 -0.09 -0.07 -0.00 0.00 0.00 178.16 177.72 3fgo h LEU 691 N -0.41 -0.51 -1.85 3.88 4.07 -0.89 0.24 115.31 119.83 3fgo h LEU 691 Ca 0.01 0.20 0.00 0.00 0.08 0.00 0.00 57.88 58.17 3fgo h LEU 691 Cb 0.41 0.39 0.00 0.00 1.08 0.00 0.00 40.66 42.54 3fgo h LEU 691 CO -0.08 -0.21 0.00 1.56 -1.08 0.00 0.00 178.44 178.64 3fgo h GLN 692 N 0.05 0.00 -0.20 1.13 4.20 -0.10 -2.11 115.11 118.08 3fgo h GLN 692 Ca 0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.08 3fgo h GLN 692 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3fgo h GLN 692 CO -0.69 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 176.34 3fgo n SER 693 N -3.06 1.19 -0.82 1.46 3.41 0.83 -0.10 113.62 116.53 3fgo n SER 693 Ca -0.00 -1.89 0.07 0.00 -0.26 0.00 0.00 58.87 56.79 3fgo n SER 693 Cb 0.24 -0.13 0.20 0.00 -0.26 0.00 0.00 64.21 64.26 3fgo n SER 693 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3fgo n TYR 694 N 0.11 0.66 -1.24 7.33 4.02 -0.80 -4.96 117.16 122.28 3fgo n TYR 694 Ca 0.10 -0.55 -0.08 0.00 -0.01 0.00 0.00 57.90 57.35 3fgo n TYR 694 Cb 0.21 -0.07 -0.04 0.00 -0.02 0.00 0.00 39.34 39.42 3fgo n TYR 694 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3fgo n ASP 695 N 0.57 -5.00 -4.74 7.72 8.00 0.86 -4.97 116.55 118.99 3fgo n ASP 695 Ca 0.15 0.20 -0.42 0.00 0.71 0.00 0.00 54.79 55.44 3fgo n ASP 695 Cb 0.54 -3.23 -0.02 0.00 -0.02 0.00 0.00 41.12 38.39 3fgo n ASP 695 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3fgo s GLU 696 N -2.44 4.20 -0.31 -1.24 2.02 -1.20 -4.70 118.70 115.03 3fgo s GLU 696 Ca 0.00 2.42 -0.27 0.00 0.02 0.00 0.00 54.97 57.13 3fgo s GLU 696 Cb 0.00 -3.09 0.01 0.00 0.10 0.00 0.00 34.13 31.15 3fgo s GLU 696 CO 0.00 -0.55 1.00 0.42 0.02 0.00 0.00 175.26 176.15 3fgo s ILE 697 N 0.34 4.59 -0.02 -1.63 -1.09 -1.26 -4.25 121.20 117.87 3fgo s ILE 697 Ca 0.64 1.59 0.08 0.00 -2.23 0.00 0.00 60.65 60.73 3fgo s ILE 697 Cb -0.45 -4.34 -0.02 0.00 -1.58 0.00 0.00 42.46 36.07 3fgo s ILE 697 CO 0.41 -0.41 -0.26 0.42 -1.23 0.00 0.00 174.94 173.87 3fgo s THR 698 N 3.45 2.05 0.12 2.92 -4.23 -1.26 -1.34 115.64 117.35 3fgo s THR 698 Ca 0.42 -1.12 0.03 0.00 -1.18 0.00 0.00 61.69 59.84 3fgo s THR 698 Cb -0.13 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 3fgo s THR 698 CO 0.14 0.57 0.17 0.00 -0.54 0.00 0.00 174.62 174.96 3fgo s ALA 699 N -0.62 3.75 -0.03 3.99 0.00 -0.08 -0.82 121.76 127.95 3fgo s ALA 699 Ca 0.10 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 51.06 3fgo s ALA 699 Cb -0.10 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.44 3fgo s ALA 699 CO -0.01 0.64 -0.16 1.41 0.00 0.00 0.00 175.76 177.64 3fgo s MET 700 N -2.82 1.47 -0.07 0.00 0.00 -0.31 -0.33 119.30 117.24 3fgo s MET 700 Ca 0.32 -0.57 0.05 0.00 0.00 0.00 0.00 55.69 55.50 3fgo s MET 700 Cb -0.11 -1.35 -0.01 0.00 0.00 0.00 0.00 34.83 33.35 3fgo s MET 700 CO 0.25 0.29 -0.24 0.99 0.00 0.00 0.00 175.02 176.31 3fgo s THR 701 N -0.16 2.18 0.24 10.11 2.01 -0.05 0.66 115.64 130.63 3fgo s THR 701 Ca 0.01 -1.01 -0.18 0.00 0.31 0.00 0.00 61.69 60.82 3fgo s THR 701 Cb -0.09 -1.81 0.06 0.00 0.01 0.00 0.00 72.50 70.68 3fgo s THR 701 CO 0.01 0.57 0.87 0.61 -0.69 0.00 0.00 174.62 175.99 3fgo n GLY 702 N 3.04 0.80 0.00 4.40 0.00 -0.11 -0.36 105.19 112.96 3fgo n GLY 702 Ca -0.18 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.67 3fgo n GLY 702 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fgo n ASP 703 N -1.34 0.00 -4.82 1.61 5.75 -1.26 -1.35 116.55 115.15 3fgo n ASP 703 Ca -0.04 -0.04 -0.22 0.00 -0.01 0.00 0.00 54.79 54.48 3fgo n ASP 703 Cb 0.54 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.59 3fgo n ASP 703 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3fgo s GLY 704 N 0.00 1.49 0.33 6.12 0.00 -1.26 -0.26 107.32 113.74 3fgo s GLY 704 Ca 0.00 -1.48 0.06 0.00 0.00 0.00 0.00 44.72 43.30 3fgo s GLY 704 CO 0.00 -1.50 1.87 -2.08 0.00 0.00 0.00 173.10 171.39 3fgo h VAL 705 N 1.48 0.89 0.00 1.40 2.07 -1.84 -1.45 116.25 118.80 3fgo h VAL 705 Ca -0.47 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3fgo h VAL 705 Cb 1.24 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3fgo h VAL 705 CO 0.60 0.15 0.00 -0.46 0.02 0.00 0.00 177.57 177.88 3fgo n ASN 706 N -4.57 0.00 0.00 0.57 6.94 -0.97 -1.12 115.26 116.12 3fgo n ASN 706 Ca 0.17 0.37 0.11 0.00 -0.02 0.00 0.00 54.58 55.21 3fgo n ASN 706 Cb 0.39 -0.43 0.05 0.00 -2.36 0.00 0.00 39.78 37.43 3fgo n ASN 706 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3fgo n ASP 707 N -1.43 0.72 -0.11 0.53 8.00 -0.55 -4.43 116.55 119.28 3fgo n ASP 707 Ca 0.05 -0.55 -0.06 0.00 0.71 0.00 0.00 54.79 54.94 3fgo n ASP 707 Cb 0.15 0.70 0.02 0.00 -0.02 0.00 0.00 41.12 41.97 3fgo n ASP 707 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fgo h ALA 708 N 2.89 0.40 -0.17 2.24 0.00 -1.07 0.24 119.26 123.79 3fgo h ALA 708 Ca 0.00 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3fgo h ALA 708 Cb 0.55 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3fgo h ALA 708 CO 0.00 -0.31 -0.01 -1.35 0.00 0.00 0.00 179.25 177.58 3fgo h PRO 709 N 0.22 0.04 -0.88 0.00 0.11 -1.81 0.11 132.00 129.79 3fgo h PRO 709 Ca 0.17 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 3fgo h PRO 709 Cb 0.19 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.25 3fgo h PRO 709 CO -0.22 0.03 0.51 0.00 -0.21 0.00 0.00 178.00 178.11 3fgo h ALA 710 N 1.15 1.24 -0.80 -0.75 0.00 -1.69 -0.31 119.26 118.10 3fgo h ALA 710 Ca 0.08 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3fgo h ALA 710 Cb 0.10 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 3fgo h ALA 710 CO -0.14 0.63 0.51 -0.07 0.00 0.00 0.00 179.25 180.18 3fgo h LEU 711 N 1.22 0.83 -0.54 0.00 3.38 0.15 -0.80 115.31 119.56 3fgo h LEU 711 Ca 0.31 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.13 3fgo h LEU 711 Cb -0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3fgo h LEU 711 CO -0.05 0.57 -0.46 0.11 0.09 0.00 0.00 178.44 178.70 3fgo h LYS 712 N 0.98 0.66 -0.06 1.13 1.57 0.34 -3.26 116.57 117.93 3fgo h LYS 712 Ca 0.32 -0.37 -0.17 0.00 -1.87 0.00 0.00 60.65 58.56 3fgo h LYS 712 Cb 0.02 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3fgo h LYS 712 CO -0.12 0.98 -0.70 -0.22 -0.57 0.00 0.00 179.45 178.83 3fgo h LYS 713 N 0.53 0.30 -7.18 3.15 1.63 -0.56 -3.45 116.57 110.99 3fgo h LYS 713 Ca 0.03 -0.24 -0.53 0.00 -0.85 0.00 0.00 60.65 59.06 3fgo h LYS 713 Cb 1.00 0.05 0.15 0.00 -0.60 0.00 0.00 32.23 32.83 3fgo h LYS 713 CO 0.09 0.88 0.39 0.00 -3.45 0.00 0.00 179.45 177.37 3fgo s ALA 714 N -3.61 2.16 0.22 5.00 0.00 -0.35 -4.88 121.76 120.29 3fgo s ALA 714 Ca -0.04 0.86 -0.08 0.00 0.00 0.00 0.00 51.96 52.70 3fgo s ALA 714 Cb 0.11 -3.46 0.29 0.00 0.00 0.00 0.00 23.12 20.07 3fgo s ALA 714 CO 0.82 -1.81 1.81 0.93 0.00 0.00 0.00 175.76 177.51 3fgo h GLU 715 N -0.23 0.69 -4.16 0.00 3.07 -1.30 -3.40 114.58 109.25 3fgo h GLU 715 Ca -0.48 -0.04 -0.51 0.00 -0.50 0.00 0.00 59.36 57.83 3fgo h GLU 715 Cb 1.29 -0.16 -0.37 0.00 -0.84 0.00 0.00 28.75 28.68 3fgo h GLU 715 CO 0.50 0.46 -0.80 -1.50 -1.40 0.00 0.00 179.01 176.27 3fgo s ILE 716 N -6.07 0.93 -0.15 3.13 2.07 -1.04 -5.03 121.20 115.04 3fgo s ILE 716 Ca -0.13 -0.23 -0.12 0.00 -1.41 0.00 0.00 60.65 58.77 3fgo s ILE 716 Cb 0.17 -0.96 -0.05 0.00 0.13 0.00 0.00 42.46 41.75 3fgo s ILE 716 CO 0.77 0.35 0.23 -0.83 -1.91 0.00 0.00 174.94 173.55 3fgo s GLY 717 N 1.71 2.17 -0.13 1.50 0.00 -1.26 -1.16 107.32 110.15 3fgo s GLY 717 Ca 0.04 -0.53 0.01 0.00 0.00 0.00 0.00 44.72 44.24 3fgo s GLY 717 CO -0.07 0.19 -0.14 -0.42 0.00 0.00 0.00 173.10 172.66 3fgo s ILE 718 N 0.07 1.47 0.07 0.90 1.01 0.21 -0.61 121.20 124.33 3fgo s ILE 718 Ca 0.14 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.24 3fgo s ILE 718 Cb -0.13 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 3fgo s ILE 718 CO 0.03 0.44 0.03 0.00 0.00 0.00 0.00 174.94 175.44 3fgo s ALA 719 N 1.31 3.39 0.14 9.38 0.00 -0.27 -0.94 121.76 134.77 3fgo s ALA 719 Ca 0.00 -1.05 -0.30 0.00 0.00 0.00 0.00 51.96 50.61 3fgo s ALA 719 Cb -0.14 -1.30 -0.06 0.00 0.00 0.00 0.00 23.12 21.62 3fgo s ALA 719 CO -0.07 0.71 1.00 -1.64 0.00 0.00 0.00 175.76 175.76 3fgo s MET 720 N -2.20 4.68 0.39 0.00 1.00 -0.45 -0.60 119.30 122.11 3fgo s MET 720 Ca 0.26 1.53 0.16 0.00 0.00 0.00 0.00 55.69 57.64 3fgo s MET 720 Cb -0.12 -3.34 1.04 0.00 0.00 0.00 0.00 34.83 32.41 3fgo s MET 720 CO 0.18 0.19 1.80 0.78 0.00 0.00 0.00 175.02 177.98 3fgo h GLY 721 N 5.36 1.17 -2.64 -0.03 0.00 0.02 0.41 103.07 107.37 3fgo h GLY 721 Ca -0.43 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.68 3fgo h GLY 721 CO 0.72 -0.08 0.00 -1.14 0.00 0.00 0.00 176.54 176.04 3fgo n SER 722 N -4.60 3.94 -1.91 0.19 3.41 -1.26 -4.92 113.62 108.47 3fgo n SER 722 Ca 0.23 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 3fgo n SER 722 Cb 0.77 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 3fgo n SER 722 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fgo n GLY 723 N 1.38 0.29 3.78 5.00 0.00 0.13 -5.05 105.19 110.72 3fgo n GLY 723 Ca 0.23 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 3fgo n GLY 723 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fgo s THR 724 N 0.16 3.21 0.34 2.61 -4.23 0.64 -4.92 115.64 113.46 3fgo s THR 724 Ca 0.00 0.76 0.05 0.00 -1.18 0.00 0.00 61.69 61.32 3fgo s THR 724 Cb 0.00 -3.31 0.30 0.00 1.34 0.00 0.00 72.50 70.83 3fgo s THR 724 CO 0.00 -0.15 1.92 0.00 -0.54 0.00 0.00 174.62 175.85 3fgo h ALA 725 N 1.27 1.68 -0.16 3.99 0.00 -1.96 -1.02 119.26 123.06 3fgo h ALA 725 Ca -0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3fgo h ALA 725 Cb 1.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3fgo h ALA 725 CO 0.57 0.17 0.07 0.28 0.00 0.00 0.00 179.25 180.34 3fgo h VAL 726 N 0.82 1.14 -0.62 0.00 2.07 -1.91 0.10 116.25 117.84 3fgo h VAL 726 Ca 0.37 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 3fgo h VAL 726 Cb 0.35 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 3fgo h VAL 726 CO -0.14 0.13 0.18 0.00 0.02 0.00 0.00 177.57 177.77 3fgo h ALA 727 N 0.92 0.82 -0.21 1.67 0.00 -1.65 -1.58 119.26 119.23 3fgo h ALA 727 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3fgo h ALA 727 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3fgo h ALA 727 CO -0.01 0.50 0.13 0.87 0.00 0.00 0.00 179.25 180.75 3fgo h LYS 728 N 0.90 0.27 0.00 0.00 1.57 -0.89 -1.82 116.57 116.60 3fgo h LYS 728 Ca 0.20 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3fgo h LYS 728 Cb 0.31 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3fgo h LYS 728 CO -0.00 0.18 0.00 0.25 -0.57 0.00 0.00 179.45 179.30 3fgo n THR 729 N -4.95 0.78 1.37 -0.16 -2.24 -0.01 -1.25 114.28 107.83 3fgo n THR 729 Ca -0.03 0.17 0.14 0.00 -2.27 0.00 0.00 64.05 62.06 3fgo n THR 729 Cb 0.03 -0.95 0.48 0.00 -2.10 0.00 0.00 70.33 67.80 3fgo n THR 729 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fgo n ALA 730 N -1.60 2.86 -2.05 6.98 0.00 -0.61 -4.47 120.51 121.61 3fgo n ALA 730 Ca 0.04 -0.39 -0.18 0.00 0.00 0.00 0.00 53.44 52.91 3fgo n ALA 730 Cb 0.23 -1.19 0.01 0.00 0.00 0.00 0.00 19.45 18.50 3fgo n ALA 730 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3fgo s SER 731 N -2.32 5.49 -0.02 0.00 0.01 -0.38 -4.14 113.70 112.33 3fgo s SER 731 Ca 0.30 -0.53 0.17 0.00 1.31 0.00 0.00 55.95 57.20 3fgo s SER 731 Cb 0.20 -0.53 -0.26 0.00 0.21 0.00 0.00 66.02 65.64 3fgo s SER 731 CO 0.45 -0.80 0.40 -0.62 0.41 0.00 0.00 173.24 173.07 3fgo n GLU 732 N -1.84 0.59 -3.78 12.44 4.71 0.22 -4.83 120.64 128.15 3fgo n GLU 732 Ca 0.08 -0.15 -0.13 0.00 -0.01 0.00 0.00 57.16 56.96 3fgo n GLU 732 Cb 0.60 -1.40 -0.10 0.00 -1.01 0.00 0.00 31.44 29.54 3fgo n GLU 732 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 177.13 178.63 3fgo s MET 733 N -3.14 0.54 -0.06 3.49 0.00 -1.05 0.51 119.30 119.59 3fgo s MET 733 Ca -0.05 -0.06 0.02 0.00 0.00 0.00 0.00 55.69 55.60 3fgo s MET 733 Cb 0.11 0.24 0.01 0.00 0.00 0.00 0.00 34.83 35.20 3fgo s MET 733 CO 0.71 -0.13 -0.11 0.08 0.00 0.00 0.00 175.02 175.56 3fgo s VAL 734 N -0.92 1.07 -0.62 10.11 1.01 -0.37 -1.12 120.40 129.57 3fgo s VAL 734 Ca -0.10 -0.44 -0.22 0.00 0.00 0.00 0.00 61.98 61.22 3fgo s VAL 734 Cb -0.05 -0.99 0.07 0.00 0.00 0.00 0.00 36.38 35.41 3fgo s VAL 734 CO 0.03 0.34 0.91 -0.76 0.00 0.00 0.00 175.10 175.62 3fgo s LEU 735 N 0.71 4.49 0.51 3.92 1.43 0.23 -0.88 118.68 129.08 3fgo s LEU 735 Ca -0.14 -0.94 0.29 0.00 -1.03 0.00 0.00 54.13 52.31 3fgo s LEU 735 Cb -0.16 -2.47 1.31 0.00 0.03 0.00 0.00 46.19 44.90 3fgo s LEU 735 CO 0.03 -1.33 1.98 0.00 0.23 0.00 0.00 176.35 177.26 3fgo h ALA 736 N 9.45 1.10 -0.32 4.21 0.00 -1.08 0.63 119.26 133.25 3fgo h ALA 736 Ca -0.28 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3fgo h ALA 736 Cb 1.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3fgo h ALA 736 CO 1.14 0.15 0.00 -0.40 0.00 0.00 0.00 179.25 180.15 3fgo n ASP 737 N -3.38 3.25 -1.06 0.00 3.85 -1.26 -4.49 116.55 113.44 3fgo n ASP 737 Ca -0.01 -2.31 -0.14 0.00 -0.71 0.00 0.00 54.79 51.62 3fgo n ASP 737 Cb 0.31 -0.33 -0.06 0.00 -1.35 0.00 0.00 41.12 39.69 3fgo n ASP 737 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3fgo n ASP 738 N 0.21 -5.44 -4.56 -1.12 8.00 -0.77 -4.93 116.55 107.95 3fgo n ASP 738 Ca 0.15 0.34 -0.43 0.00 0.71 0.00 0.00 54.79 55.56 3fgo n ASP 738 Cb 0.57 -4.16 -0.03 0.00 -0.02 0.00 0.00 41.12 37.48 3fgo n ASP 738 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3fgo s ASN 739 N -2.58 6.46 0.39 -2.24 2.47 -1.26 -4.90 114.94 113.28 3fgo s ASN 739 Ca 0.00 0.02 0.07 0.00 0.42 0.00 0.00 52.86 53.37 3fgo s ASN 739 Cb 0.00 -2.48 0.80 0.00 -1.45 0.00 0.00 41.25 38.11 3fgo s ASN 739 CO 0.00 -1.23 1.99 0.15 -3.72 0.00 0.00 177.10 174.29 3fgo h PHE 740 N 9.27 0.46 -0.77 0.43 3.57 -1.92 -1.38 116.94 126.61 3fgo h PHE 740 Ca -0.25 -0.01 0.22 0.00 3.53 0.00 0.00 57.97 61.46 3fgo h PHE 740 Cb 1.07 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 3fgo h PHE 740 CO 0.93 0.38 0.69 0.77 -2.23 0.00 0.00 178.31 178.85 3fgo h SER 741 N 0.46 0.00 0.37 0.41 0.02 -1.90 -1.43 113.55 111.48 3fgo h SER 741 Ca 0.11 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 3fgo h SER 741 Cb 0.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3fgo h SER 741 CO -0.01 0.00 -0.32 0.74 -1.14 0.00 0.00 176.83 176.10 3fgo h THR 742 N 0.00 1.17 -0.75 -2.27 2.02 -1.62 -1.95 112.91 109.50 3fgo h THR 742 Ca 0.36 -1.13 0.01 0.00 0.77 0.00 0.00 66.41 66.43 3fgo h THR 742 Cb 1.74 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 69.73 3fgo h THR 742 CO -0.00 0.32 0.50 0.40 0.37 0.00 0.00 175.52 177.10 3fgo h ILE 743 N 0.00 1.18 -0.69 3.11 2.04 -1.43 0.40 117.51 122.11 3fgo h ILE 743 Ca -0.00 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 3fgo h ILE 743 Cb 0.59 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3fgo h ILE 743 CO 0.04 0.18 0.36 0.58 0.00 0.00 0.00 178.15 179.32 3fgo h VAL 744 N 1.01 1.22 -0.62 1.67 2.07 -1.50 -1.11 116.25 118.99 3fgo h VAL 744 Ca 0.28 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 3fgo h VAL 744 Cb -0.10 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 3fgo h VAL 744 CO -0.07 0.25 0.17 0.00 0.02 0.00 0.00 177.57 177.94 3fgo h ALA 745 N 1.18 0.81 -0.62 1.67 0.00 -1.03 -2.54 119.26 118.73 3fgo h ALA 745 Ca 0.24 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3fgo h ALA 745 Cb 0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3fgo h ALA 745 CO -0.04 0.50 0.26 0.00 0.00 0.00 0.00 179.25 179.97 3fgo h ALA 746 N 1.06 1.28 -0.18 0.00 0.00 0.22 -0.74 119.26 120.89 3fgo h ALA 746 Ca 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3fgo h ALA 746 Cb 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3fgo h ALA 746 CO -0.00 0.54 0.08 0.28 0.00 0.00 0.00 179.25 180.15 3fgo h VAL 747 N 0.89 1.14 -0.13 0.00 2.07 -0.96 -0.83 116.25 118.42 3fgo h VAL 747 Ca 0.21 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.36 3fgo h VAL 747 Cb 0.16 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3fgo h VAL 747 CO -0.02 0.13 -0.01 -0.08 0.02 0.00 0.00 177.57 177.61 3fgo h GLU 748 N 0.16 0.03 -0.87 1.57 4.81 -1.19 0.19 114.58 119.29 3fgo h GLU 748 Ca 0.06 -0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.40 3fgo h GLU 748 Cb 0.13 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.42 3fgo h GLU 748 CO -0.01 0.02 0.50 1.49 -0.73 0.00 0.00 179.01 180.28 3fgo h GLU 749 N 0.03 0.78 -0.23 1.92 4.57 -1.03 0.19 114.58 120.81 3fgo h GLU 749 Ca 0.06 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.11 3fgo h GLU 749 Cb 0.08 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 3fgo h GLU 749 CO -0.11 0.52 -0.23 0.78 -1.18 0.00 0.00 179.01 178.78 3fgo h GLY 750 N 0.80 0.46 1.00 1.92 0.00 -0.22 0.25 103.07 107.29 3fgo h GLY 750 Ca 0.43 -0.36 -0.21 0.00 0.00 0.00 0.00 47.33 47.19 3fgo h GLY 750 CO -0.27 0.33 -0.79 3.21 0.00 0.00 0.00 176.54 179.02 3fgo h ARG 751 N 0.38 0.58 -0.13 4.80 3.08 0.59 -1.14 114.38 122.54 3fgo h ARG 751 Ca 0.06 -0.59 0.04 0.00 0.07 0.00 0.00 59.98 59.56 3fgo h ARG 751 Cb 0.62 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.78 3fgo h ARG 751 CO 0.04 1.21 -0.18 0.00 -1.07 0.00 0.00 179.97 179.97 3fgo h ALA 752 N 0.39 -0.11 -0.83 0.04 0.00 -0.41 -1.77 119.26 116.58 3fgo h ALA 752 Ca -0.09 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3fgo h ALA 752 Cb 1.46 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 19.56 3fgo h ALA 752 CO 0.16 -0.63 0.53 0.82 0.00 0.00 0.00 179.25 180.13 3fgo h ILE 753 N -0.22 1.14 -0.76 0.00 2.04 -0.52 -2.56 117.51 116.63 3fgo h ILE 753 Ca 0.10 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3fgo h ILE 753 Cb 0.36 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.41 3fgo h ILE 753 CO -0.26 0.19 0.41 0.22 0.00 0.00 0.00 178.15 178.71 3fgo h TYR 754 N 1.05 1.04 -0.39 1.37 5.03 -0.66 -0.19 116.97 124.22 3fgo h TYR 754 Ca 0.33 -0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.59 3fgo h TYR 754 Cb -0.00 -0.33 -0.02 0.00 1.55 0.00 0.00 36.73 37.93 3fgo h TYR 754 CO -0.02 0.73 0.15 -0.91 -1.32 0.00 0.00 178.16 176.79 3fgo h ASN 755 N 1.05 0.55 -0.28 -2.11 2.35 -1.00 -1.96 115.58 114.18 3fgo h ASN 755 Ca 0.27 -0.18 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 3fgo h ASN 755 Cb 0.04 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3fgo h ASN 755 CO -0.04 0.58 -0.15 0.78 -1.65 0.00 0.00 177.43 176.95 3fgo h ASN 756 N 0.49 0.61 0.09 5.81 4.21 -1.25 -3.04 115.58 122.49 3fgo h ASN 756 Ca 0.13 -0.42 0.00 0.00 1.21 0.00 0.00 56.30 57.23 3fgo h ASN 756 Cb 0.20 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.22 3fgo h ASN 756 CO -0.01 0.89 -0.24 0.24 -1.29 0.00 0.00 177.43 177.02 3fgo h MET 757 N 0.33 -0.35 -1.04 0.81 2.86 -0.99 -1.15 114.93 115.39 3fgo h MET 757 Ca 0.06 0.02 0.28 0.00 -2.06 0.00 0.00 59.70 58.00 3fgo h MET 757 Cb 0.67 0.08 -0.11 0.00 0.06 0.00 0.00 31.60 32.29 3fgo h MET 757 CO 0.04 -0.23 0.64 1.57 1.06 0.00 0.00 176.91 179.99 3fgo h LYS 758 N -0.36 0.42 0.07 1.72 2.10 -1.37 0.13 116.57 119.28 3fgo h LYS 758 Ca -0.01 -0.03 -0.26 0.00 -2.00 0.00 0.00 60.65 58.35 3fgo h LYS 758 Cb 0.36 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 31.57 3fgo h LYS 758 CO -0.11 0.28 -1.29 -0.56 -2.00 0.00 0.00 179.45 175.76 3fgo h GLN 759 N 0.44 0.15 0.00 0.07 3.07 -1.40 -2.28 115.11 115.15 3fgo h GLN 759 Ca 0.65 -0.26 0.00 0.00 0.09 0.00 0.00 58.65 59.13 3fgo h GLN 759 Cb 1.50 0.10 0.00 0.00 0.08 0.00 0.00 27.48 29.15 3fgo h GLN 759 CO -0.41 1.05 0.00 1.97 0.09 0.00 0.00 178.83 181.53 3fgo n PHE 760 N -3.40 0.83 0.07 0.06 1.16 0.06 -0.57 117.46 115.67 3fgo n PHE 760 Ca -0.09 0.28 -0.05 0.00 -1.87 0.00 0.00 57.45 55.73 3fgo n PHE 760 Cb 1.01 -0.95 -0.09 0.00 -1.61 0.00 0.00 39.48 37.84 3fgo n PHE 760 CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 3fgo h ILE 761 N 0.00 1.43 0.06 1.97 2.04 -0.76 -2.54 117.51 119.71 3fgo h ILE 761 Ca 0.00 -3.06 -0.00 0.00 1.00 0.00 0.00 64.86 62.80 3fgo h ILE 761 Cb 0.55 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 3fgo h ILE 761 CO 0.00 0.82 -0.03 0.03 0.00 0.00 0.00 178.15 178.97 3fgo h ARG 762 N 0.00 -0.07 -0.66 2.37 3.08 -0.77 -2.35 114.38 115.98 3fgo h ARG 762 Ca -0.03 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.15 3fgo h ARG 762 Cb 1.69 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 31.66 3fgo h ARG 762 CO 0.11 0.50 0.21 -0.92 -1.07 0.00 0.00 179.97 178.79 3fgo h TYR 763 N -0.73 0.34 0.00 3.04 3.20 -0.92 0.34 116.97 122.25 3fgo h TYR 763 Ca -0.01 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 3fgo h TYR 763 Cb 0.61 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 3fgo h TYR 763 CO 0.13 0.02 -0.26 -0.07 -1.64 0.00 0.00 178.16 176.34 3fgo h LEU 764 N 0.35 0.00 0.08 2.82 3.38 -1.52 -3.13 115.31 117.30 3fgo h LEU 764 Ca 0.35 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.98 3fgo h LEU 764 Cb 0.52 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3fgo h LEU 764 CO -0.39 0.26 -1.91 0.00 0.09 0.00 0.00 178.44 176.49 3fgo n ILE 765 N -3.65 1.72 -0.32 1.22 0.13 -0.10 -3.10 119.36 115.27 3fgo n ILE 765 Ca -0.01 -0.70 0.15 0.00 -1.10 0.00 0.00 62.75 61.09 3fgo n ILE 765 Cb 0.39 -1.50 0.39 0.00 -0.84 0.00 0.00 39.64 38.08 3fgo n ILE 765 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 3fgo h SER 766 N 0.05 0.65 0.13 9.51 4.64 -0.44 -1.29 113.55 126.80 3fgo h SER 766 Ca -0.38 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 3fgo h SER 766 Cb 2.03 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 64.08 3fgo h SER 766 CO 0.08 0.23 -0.10 -1.28 -0.87 0.00 0.00 176.83 174.90 3fgo h SER 767 N 0.64 -0.26 0.00 4.97 0.87 -1.61 -2.78 113.55 115.38 3fgo h SER 767 Ca 0.55 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.13 3fgo h SER 767 Cb 1.02 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 3fgo h SER 767 CO -0.31 -0.14 0.28 0.59 -0.53 0.00 0.00 176.83 176.71 3fgo n ASN 768 N -2.83 0.13 -0.05 6.23 3.02 -0.62 -1.34 115.26 119.80 3fgo n ASN 768 Ca -0.03 0.38 -0.02 0.00 -0.03 0.00 0.00 54.58 54.89 3fgo n ASN 768 Cb 0.10 -0.35 -0.02 0.00 -0.61 0.00 0.00 39.78 38.90 3fgo n ASN 768 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3fgo h VAL 769 N 0.00 0.19 -0.65 2.41 2.07 -1.00 -3.15 116.25 116.11 3fgo h VAL 769 Ca 0.00 -1.15 0.13 0.00 0.82 0.00 0.00 66.70 66.50 3fgo h VAL 769 Cb 0.56 0.37 -0.10 0.00 -1.52 0.00 0.00 31.29 30.60 3fgo h VAL 769 CO 0.00 0.07 0.13 1.23 0.02 0.00 0.00 177.57 179.02 3fgo h GLY 770 N -1.00 0.85 0.01 2.17 0.00 -1.05 0.11 103.07 104.16 3fgo h GLY 770 Ca -0.00 -0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.39 3fgo h GLY 770 CO -0.00 -0.15 -0.24 0.83 0.00 0.00 0.00 176.54 176.98 3fgo h GLU 771 N 0.25 -0.18 -0.06 4.80 5.08 -1.65 0.31 114.58 123.14 3fgo h GLU 771 Ca 0.35 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.74 3fgo h GLU 771 Cb 0.56 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3fgo h GLU 771 CO -0.46 -0.12 -0.02 0.28 -1.00 0.00 0.00 179.01 177.69 3fgo h VAL 772 N -0.19 0.92 -1.01 3.13 2.07 -1.11 0.52 116.25 120.59 3fgo h VAL 772 Ca 0.18 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.93 3fgo h VAL 772 Cb 0.46 0.92 -0.11 0.00 -1.52 0.00 0.00 31.29 31.05 3fgo h VAL 772 CO -0.47 0.00 0.62 0.58 0.02 0.00 0.00 177.57 178.32 3fgo h VAL 773 N -0.01 0.60 0.06 2.57 2.07 -0.06 -0.50 116.25 120.99 3fgo h VAL 773 Ca 0.03 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 3fgo h VAL 773 Cb 0.06 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 3fgo h VAL 773 CO -0.07 0.11 -0.03 0.00 0.02 0.00 0.00 177.57 177.60 3fgo n ILE 775 N -4.80 0.24 -0.05 0.00 2.08 0.17 -0.71 119.36 116.30 3fgo n ILE 775 Ca -0.08 0.06 -0.06 0.00 0.56 0.00 0.00 62.75 63.23 3fgo n ILE 775 Cb 0.31 -0.97 -0.06 0.00 -0.75 0.00 0.00 39.64 38.17 3fgo n ILE 775 CO 0.00 0.00 0.00 0.33 0.56 0.00 0.00 176.55 177.44 3fgo n PHE 776 N -1.07 0.00 0.19 1.39 7.35 -0.24 -4.32 117.46 120.76 3fgo n PHE 776 Ca 0.04 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.58 3fgo n PHE 776 Cb 0.03 -0.41 -0.08 0.00 0.35 0.00 0.00 39.48 39.37 3fgo n PHE 776 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3fgo h LEU 777 N 0.00 -0.38 -2.33 -2.13 3.38 0.09 -0.12 115.31 113.82 3fgo h LEU 777 Ca -0.23 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3fgo h LEU 777 Cb 1.43 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.27 3fgo h LEU 777 CO -0.02 -0.18 0.00 1.07 0.09 0.00 0.00 178.44 179.41 3fgo n THR 778 N -5.24 1.21 0.01 0.22 5.66 0.12 -2.89 114.28 113.37 3fgo n THR 778 Ca -0.10 -0.14 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 3fgo n THR 778 Cb 0.23 -1.12 0.00 0.00 -1.55 0.00 0.00 70.33 67.89 3fgo n THR 778 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3fgo n ALA 779 N 0.84 3.00 -0.09 1.79 0.00 -1.01 -3.90 120.51 121.14 3fgo n ALA 779 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3fgo n ALA 779 Cb 0.46 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 3fgo n ALA 779 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fgo h ALA 780 N 0.00 0.36 0.00 0.00 0.00 -1.06 -2.84 119.26 115.72 3fgo h ALA 780 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3fgo h ALA 780 Cb 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3fgo h ALA 780 CO 0.00 0.12 0.00 -0.07 0.00 0.00 0.00 179.25 179.30 3fgo h LEU 781 N 0.25 0.00 -0.96 0.00 4.07 -1.74 -3.47 115.31 113.47 3fgo h LEU 781 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 3fgo h LEU 781 Cb 0.46 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.20 3fgo h LEU 781 CO 0.02 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.99 3fgo n GLY 782 N -0.28 0.94 3.94 0.83 0.00 -1.07 -4.83 105.19 104.72 3fgo n GLY 782 Ca -0.00 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 3fgo n GLY 782 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fgo s LEU 783 N -0.96 4.11 -0.51 0.99 1.43 -1.26 -4.17 118.68 118.32 3fgo s LEU 783 Ca 0.00 -0.08 -0.28 0.00 -1.03 0.00 0.00 54.13 52.74 3fgo s LEU 783 Cb 0.00 -2.71 0.01 0.00 0.03 0.00 0.00 46.19 43.52 3fgo s LEU 783 CO 0.00 -0.17 1.45 -2.84 0.23 0.00 0.00 176.35 175.02 3fgo s PRO 784 N -4.01 3.35 -0.17 1.29 0.02 -1.26 -4.45 135.00 129.78 3fgo s PRO 784 Ca 0.37 0.64 -0.16 0.00 0.02 0.00 0.00 61.00 61.87 3fgo s PRO 784 Cb -0.09 -4.11 -0.07 0.00 0.02 0.00 0.00 34.50 30.26 3fgo s PRO 784 CO 0.29 -1.86 0.58 0.39 -0.33 0.00 0.00 177.00 176.06 3fgo n GLU 785 N 8.50 0.00 0.23 5.54 1.02 -1.25 -4.80 120.64 129.87 3fgo n GLU 785 Ca 0.14 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.38 3fgo n GLU 785 Cb 0.49 -0.51 0.52 0.00 -0.02 0.00 0.00 31.44 31.92 3fgo n GLU 785 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fgo h ALA 786 N 1.96 1.15 -2.89 0.62 0.00 -1.88 -3.44 119.26 114.78 3fgo h ALA 786 Ca -0.13 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 3fgo h ALA 786 Cb 0.47 -0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.02 3fgo h ALA 786 CO 0.34 0.29 -0.68 -0.51 0.00 0.00 0.00 179.25 178.69 3fgo s LEU 787 N -7.17 2.19 0.23 0.00 1.43 -1.26 -4.46 118.68 109.64 3fgo s LEU 787 Ca -0.01 -0.52 0.09 0.00 -1.03 0.00 0.00 54.13 52.66 3fgo s LEU 787 Cb 0.12 0.17 -0.05 0.00 0.03 0.00 0.00 46.19 46.46 3fgo s LEU 787 CO 0.64 -0.34 -0.15 0.27 0.23 0.00 0.00 176.35 177.00 3fgo s ILE 788 N -1.69 1.95 0.21 -0.59 -4.36 -1.26 -4.98 121.20 110.48 3fgo s ILE 788 Ca -0.14 -2.26 -0.19 0.00 -0.26 0.00 0.00 60.65 57.80 3fgo s ILE 788 Cb -0.08 -2.16 0.18 0.00 1.25 0.00 0.00 42.46 41.65 3fgo s ILE 788 CO -0.02 -0.51 1.56 -0.65 0.24 0.00 0.00 174.94 175.57 3fgo h PRO 789 N 2.44 -0.06 -0.08 0.37 0.11 -1.88 -0.80 132.00 132.11 3fgo h PRO 789 Ca -0.39 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.75 3fgo h PRO 789 Cb 1.23 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3fgo h PRO 789 CO 0.62 -0.04 0.20 0.28 -0.21 0.00 0.00 178.00 178.85 3fgo h VAL 790 N -0.06 0.17 0.06 3.15 2.07 -1.95 0.19 116.25 119.88 3fgo h VAL 790 Ca 0.30 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.57 3fgo h VAL 790 Cb 0.58 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3fgo h VAL 790 CO -0.87 0.00 -1.30 1.56 0.02 0.00 0.00 177.57 176.97 3fgo h GLN 791 N 0.00 0.12 -0.35 1.57 4.20 -1.46 -3.21 115.11 115.98 3fgo h GLN 791 Ca 0.04 -0.20 0.07 0.00 0.06 0.00 0.00 58.65 58.61 3fgo h GLN 791 Cb 0.43 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.22 3fgo h GLN 791 CO -0.00 1.10 -0.05 -0.07 -0.67 0.00 0.00 178.83 179.14 3fgo h LEU 792 N -0.62 -0.25 -0.79 1.46 3.38 -0.98 -1.25 115.31 116.26 3fgo h LEU 792 Ca -0.31 0.09 0.14 0.00 0.09 0.00 0.00 57.88 57.89 3fgo h LEU 792 Cb 1.53 0.19 -0.09 0.00 0.09 0.00 0.00 40.66 42.37 3fgo h LEU 792 CO -0.06 -0.08 0.37 -0.07 0.09 0.00 0.00 178.44 178.68 3fgo h LEU 793 N 0.04 0.41 -0.20 1.67 3.38 -0.82 0.15 115.31 119.94 3fgo h LEU 793 Ca 0.17 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3fgo h LEU 793 Cb 0.25 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3fgo h LEU 793 CO -0.33 0.17 0.08 -0.25 0.09 0.00 0.00 178.44 178.21 3fgo h TRP 794 N 0.54 0.31 0.56 1.13 2.91 -1.37 -1.91 115.95 118.12 3fgo h TRP 794 Ca 0.43 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.41 3fgo h TRP 794 Cb 0.62 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 29.16 3fgo h TRP 794 CO -0.12 0.35 -0.40 0.28 -1.03 0.00 0.00 178.44 177.51 3fgo h VAL 795 N 0.18 0.19 0.00 2.65 2.07 -0.12 0.20 116.25 121.40 3fgo h VAL 795 Ca 0.07 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 3fgo h VAL 795 Cb 0.17 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3fgo h VAL 795 CO -0.01 0.00 -0.17 0.78 0.02 0.00 0.00 177.57 178.19 3fgo h ASN 796 N -0.93 0.00 0.28 0.57 2.35 -0.79 0.45 115.58 117.50 3fgo h ASN 796 Ca -0.06 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.36 3fgo h ASN 796 Cb 0.78 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.09 3fgo h ASN 796 CO 0.03 0.17 -1.99 -0.11 -1.65 0.00 0.00 177.43 173.87 3fgo n LEU 797 N -4.17 0.74 0.06 1.61 7.94 -0.72 -4.16 117.00 118.30 3fgo n LEU 797 Ca -0.02 0.24 0.00 0.00 -1.11 0.00 0.00 56.01 55.11 3fgo n LEU 797 Cb 0.24 0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.37 3fgo n LEU 797 CO 0.35 0.47 -0.08 0.52 -1.11 0.00 0.00 177.39 177.54 3fgo n VAL 798 N -2.97 0.66 -0.06 1.96 0.31 0.65 -4.02 118.33 114.86 3fgo n VAL 798 Ca -0.24 0.22 -0.07 0.00 -0.01 0.00 0.00 64.34 64.23 3fgo n VAL 798 Cb 1.09 -1.25 -0.01 0.00 -0.91 0.00 0.00 33.84 32.76 3fgo n VAL 798 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3fgo h THR 799 N 0.00 0.54 0.00 2.52 2.02 -0.90 -1.63 112.91 115.46 3fgo h THR 799 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 3fgo h THR 799 Cb 0.17 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3fgo h THR 799 CO 0.00 0.00 -0.58 0.44 0.37 0.00 0.00 175.52 175.75 3fgo h ASP 800 N -0.14 0.00 -0.01 4.18 3.32 -0.39 -3.38 116.42 119.99 3fgo h ASP 800 Ca 0.14 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.20 3fgo h ASP 800 Cb 0.35 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3fgo h ASP 800 CO -0.34 0.16 -0.16 1.23 -1.72 0.00 0.00 179.24 178.41 3fgo h GLY 801 N 3.87 -1.35 -0.04 2.75 0.00 -1.44 -0.92 103.07 105.94 3fgo h GLY 801 Ca -0.02 0.64 0.05 0.00 0.00 0.00 0.00 47.33 48.00 3fgo h GLY 801 CO 0.02 -0.46 -0.40 1.41 0.00 0.00 0.00 176.54 177.11 3fgo h LEU 802 N -0.19 -1.27 -1.12 3.11 -0.00 -1.64 -1.93 115.31 112.27 3fgo h LEU 802 Ca 0.01 0.18 0.08 0.00 -0.00 0.00 0.00 57.88 58.14 3fgo h LEU 802 Cb 0.21 0.53 -0.06 0.00 -0.00 0.00 0.00 40.66 41.34 3fgo h LEU 802 CO -0.11 -0.40 0.60 -0.65 -0.00 0.00 0.00 178.44 177.88 3fgo h PRO 803 N -0.42 0.98 -0.49 1.13 0.11 -1.71 0.19 132.00 131.79 3fgo h PRO 803 Ca 0.10 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.13 3fgo h PRO 803 Cb 0.60 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 3fgo h PRO 803 CO -0.44 0.65 0.21 0.00 -0.21 0.00 0.00 178.00 178.21 3fgo h ALA 804 N 1.52 0.63 0.00 -0.75 0.00 -0.70 -1.53 119.26 118.42 3fgo h ALA 804 Ca 0.41 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 3fgo h ALA 804 Cb 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3fgo h ALA 804 CO -0.17 0.22 -0.22 1.15 0.00 0.00 0.00 179.25 180.23 3fgo h THR 805 N 0.64 0.85 -0.48 0.00 2.02 -0.32 -2.39 112.91 113.23 3fgo h THR 805 Ca 0.16 -0.85 -0.12 0.00 0.77 0.00 0.00 66.41 66.37 3fgo h THR 805 Cb 0.16 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 3fgo h THR 805 CO -0.02 0.22 -0.17 0.00 0.37 0.00 0.00 175.52 175.92 3fgo h ALA 806 N 1.78 0.67 -0.20 6.16 0.00 0.25 -3.06 119.26 124.86 3fgo h ALA 806 Ca -0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 3fgo h ALA 806 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3fgo h ALA 806 CO 0.03 0.63 -0.21 -0.07 0.00 0.00 0.00 179.25 179.62 3fgo h LEU 807 N 0.82 0.34 0.00 0.00 3.38 -0.85 -1.13 115.31 117.87 3fgo h LEU 807 Ca 0.12 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3fgo h LEU 807 Cb 0.74 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3fgo h LEU 807 CO 0.06 0.57 0.00 0.61 0.09 0.00 0.00 178.44 179.77 3fgo n GLY 808 N -0.57 -0.33 0.07 0.83 0.00 -1.05 -1.64 105.19 102.49 3fgo n GLY 808 Ca -0.00 -0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 3fgo n GLY 808 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fgo n PHE 809 N -0.53 0.00 -1.87 1.61 3.01 -0.43 -4.99 117.46 114.26 3fgo n PHE 809 Ca 0.01 -0.48 -0.34 0.00 1.01 0.00 0.00 57.45 57.64 3fgo n PHE 809 Cb 0.00 -0.07 0.04 0.00 -0.01 0.00 0.00 39.48 39.45 3fgo n PHE 809 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3fgo s ASN 810 N -1.29 5.11 0.15 4.37 0.02 -0.65 -4.97 114.94 117.68 3fgo s ASN 810 Ca 0.08 2.17 -0.30 0.00 -1.02 0.00 0.00 52.86 53.79 3fgo s ASN 810 Cb 0.07 -2.57 -0.08 0.00 0.02 0.00 0.00 41.25 38.69 3fgo s ASN 810 CO 0.01 -1.63 1.24 -2.84 0.02 0.00 0.00 177.10 173.89 3fgo s PRO 811 N -3.73 4.44 0.67 -0.60 0.02 -1.26 -5.00 135.00 129.54 3fgo s PRO 811 Ca 0.71 1.91 -0.17 0.00 0.02 0.00 0.00 61.00 63.47 3fgo s PRO 811 Cb -0.24 -3.25 -0.00 0.00 0.02 0.00 0.00 34.50 31.02 3fgo s PRO 811 CO 0.37 -0.19 1.21 -0.35 -0.33 0.00 0.00 177.00 177.71 3fgo n PRO 812 N 2.98 0.92 -0.81 5.54 -0.04 -1.26 -5.00 135.00 137.32 3fgo n PRO 812 Ca 0.06 0.37 -0.29 0.00 -0.04 0.00 0.00 63.50 63.61 3fgo n PRO 812 Cb 0.44 -2.44 0.21 0.00 -0.04 0.00 0.00 33.50 31.67 3fgo n PRO 812 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3fgo s ASP 813 N -1.47 1.86 0.05 3.54 -0.00 -1.26 -4.98 116.67 114.41 3fgo s ASP 813 Ca 0.80 1.47 0.17 0.00 -0.00 0.00 0.00 52.55 54.99 3fgo s ASP 813 Cb -0.37 -2.18 -0.14 0.00 -0.00 0.00 0.00 42.92 40.23 3fgo s ASP 813 CO 0.43 -3.64 0.78 0.18 -0.00 0.00 0.00 175.17 172.92 3fgo n LEU 814 N -4.54 0.80 -1.44 1.23 4.32 -1.26 -3.72 117.00 112.39 3fgo n LEU 814 Ca 0.05 0.35 0.09 0.00 -0.02 0.00 0.00 56.01 56.48 3fgo n LEU 814 Cb 0.55 0.09 0.32 0.00 -1.62 0.00 0.00 43.42 42.76 3fgo n LEU 814 CO 0.57 0.15 0.78 -0.90 -1.22 0.00 0.00 177.39 176.76 3fgo n ASP 815 N -2.86 4.26 0.12 -1.43 5.75 -1.26 -4.64 116.55 116.48 3fgo n ASP 815 Ca -0.10 -2.34 0.19 0.00 -0.01 0.00 0.00 54.79 52.53 3fgo n ASP 815 Cb 0.84 -0.54 0.76 0.00 -1.03 0.00 0.00 41.12 41.16 3fgo n ASP 815 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 3fgo h ILE 816 N 3.78 0.51 -0.29 2.12 6.09 -1.96 0.35 117.51 128.12 3fgo h ILE 816 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3fgo h ILE 816 Cb 1.27 0.75 0.00 0.00 0.47 0.00 0.00 36.82 39.31 3fgo h ILE 816 CO 0.18 0.00 0.00 0.23 -3.07 0.00 0.00 178.15 175.49 3fgo n MET 817 N -3.93 3.09 0.00 2.19 2.81 -1.26 -4.20 117.12 115.82 3fgo n MET 817 Ca 0.06 -2.84 0.01 0.00 -1.81 0.00 0.00 57.70 53.12 3fgo n MET 817 Cb 0.49 -1.85 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 3fgo n MET 817 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3fgo n ASP 818 N -0.36 0.74 -4.86 7.83 8.00 0.12 -3.92 116.55 124.11 3fgo n ASP 818 Ca 0.21 -0.87 -0.32 0.00 0.71 0.00 0.00 54.79 54.53 3fgo n ASP 818 Cb 0.90 0.43 -0.05 0.00 -0.02 0.00 0.00 41.12 42.38 3fgo n ASP 818 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3fgo s ARG 819 N -0.66 3.91 0.82 -1.24 1.81 -1.14 -4.88 118.95 117.56 3fgo s ARG 819 Ca 0.02 0.59 -0.11 0.00 -1.72 0.00 0.00 55.73 54.52 3fgo s ARG 819 Cb 0.02 -2.41 0.08 0.00 -0.45 0.00 0.00 34.95 32.19 3fgo s ARG 819 CO 0.06 0.07 1.10 -1.25 -0.68 0.00 0.00 175.30 174.60 3fgo s PRO 820 N -3.35 1.88 0.34 3.54 0.04 -1.26 -4.44 135.00 131.74 3fgo s PRO 820 Ca 0.53 1.14 -0.29 0.00 0.04 0.00 0.00 61.00 62.42 3fgo s PRO 820 Cb -0.10 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.47 3fgo s PRO 820 CO 0.23 -1.90 1.53 -2.30 0.04 0.00 0.00 177.00 174.60 3fgo n PRO 821 N -3.69 2.67 -1.71 0.56 -0.02 -1.24 -4.95 135.00 126.62 3fgo n PRO 821 Ca 0.09 0.94 -0.39 0.00 -2.02 0.00 0.00 63.50 62.12 3fgo n PRO 821 Cb 0.53 -2.69 0.03 0.00 -0.02 0.00 0.00 33.50 31.35 3fgo n PRO 821 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3fgo n ARG 822 N 1.27 1.68 -1.95 -0.52 1.85 -1.26 -4.97 116.66 112.76 3fgo n ARG 822 Ca 0.05 0.61 -0.40 0.00 -1.00 0.00 0.00 57.85 57.11 3fgo n ARG 822 Cb 0.38 -2.46 0.00 0.00 -1.05 0.00 0.00 32.46 29.32 3fgo n ARG 822 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3fgo s SER 823 N -0.82 6.23 0.39 2.89 0.15 -1.26 -4.91 113.70 116.37 3fgo s SER 823 Ca 0.68 2.80 0.11 0.00 0.70 0.00 0.00 55.95 60.24 3fgo s SER 823 Cb -0.45 -2.65 0.80 0.00 -1.71 0.00 0.00 66.02 62.01 3fgo s SER 823 CO 0.52 -0.92 1.90 -0.65 1.20 0.00 0.00 173.24 175.28 3fgo h PRO 824 N 2.68 0.12 -0.02 5.44 0.11 -1.91 -3.00 132.00 135.42 3fgo h PRO 824 Ca -0.50 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.43 3fgo h PRO 824 Cb 1.25 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3fgo h PRO 824 CO 0.63 0.34 -0.68 0.87 -0.21 0.00 0.00 178.00 178.95 3fgo h LYS 825 N 0.11 0.09 -3.76 1.05 1.79 -1.93 -3.46 116.57 110.46 3fgo h LYS 825 Ca 0.02 -0.07 -0.53 0.00 -2.18 0.00 0.00 60.65 57.89 3fgo h LYS 825 Cb 0.46 0.01 0.02 0.00 -1.58 0.00 0.00 32.23 31.14 3fgo h LYS 825 CO 0.03 0.73 0.27 -1.91 -1.08 0.00 0.00 179.45 177.49 3fgo n GLU 826 N -3.76 0.00 0.00 3.15 2.13 -1.14 -4.93 120.64 116.08 3fgo n GLU 826 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 3fgo n GLU 826 Cb 0.67 -0.94 0.00 0.00 0.27 0.00 0.00 31.44 31.44 3fgo n GLU 826 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3fgo n PRO 827 N 1.86 3.04 0.00 5.31 -0.02 -1.26 -5.01 135.00 138.92 3fgo n PRO 827 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3fgo n PRO 827 Cb -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3fgo n PRO 827 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3fgo n LEU 828 N 0.00 0.00 -3.76 2.45 4.77 -1.26 -5.06 117.00 114.14 3fgo n LEU 828 Ca 0.00 -0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 55.69 3fgo n LEU 828 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3fgo n LEU 828 CO 0.00 0.00 0.01 0.27 -1.33 0.00 0.00 177.39 176.34 3fgo s ILE 829 N -0.35 0.03 -0.05 -0.08 -5.25 -1.26 -5.02 121.20 109.22 3fgo s ILE 829 Ca 0.00 -0.25 -0.08 0.00 -0.99 0.00 0.00 60.65 59.33 3fgo s ILE 829 Cb 0.00 -0.54 0.02 0.00 2.95 0.00 0.00 42.46 44.89 3fgo s ILE 829 CO 0.00 -0.14 0.20 -0.55 -1.79 0.00 0.00 174.94 172.67 3fgo s SER 830 N -0.61 -0.16 0.00 4.36 0.15 -1.26 -4.86 113.70 111.32 3fgo s SER 830 Ca -0.07 0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.82 3fgo s SER 830 Cb -0.04 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 3fgo s SER 830 CO 0.02 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.89 3fgo n GLY 831 N 2.44 0.13 0.32 9.45 0.00 -1.26 0.50 105.19 116.76 3fgo n GLY 831 Ca -0.16 0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.10 3fgo n GLY 831 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3fgo h TRP 832 N 0.00 0.04 -0.12 1.61 2.91 -1.99 -1.54 115.95 116.86 3fgo h TRP 832 Ca 0.00 0.06 -0.15 0.00 1.13 0.00 0.00 58.89 59.93 3fgo h TRP 832 Cb 0.00 0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 28.77 3fgo h TRP 832 CO 0.00 -0.33 -0.56 1.25 -1.03 0.00 0.00 178.44 177.77 3fgo h LEU 833 N 0.08 0.41 0.92 0.65 5.85 -0.35 -1.52 115.31 121.36 3fgo h LEU 833 Ca 0.53 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.99 3fgo h LEU 833 Cb 1.06 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.98 3fgo h LEU 833 CO -0.79 0.89 -0.44 0.15 -0.34 0.00 0.00 178.44 177.91 3fgo h PHE 834 N 0.28 -1.14 0.00 1.25 3.57 -1.30 -2.73 116.94 116.87 3fgo h PHE 834 Ca 0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3fgo h PHE 834 Cb 1.07 0.38 0.00 0.00 2.79 0.00 0.00 35.95 40.19 3fgo h PHE 834 CO 0.03 -0.71 0.00 0.34 -2.23 0.00 0.00 178.31 175.74 3fgo n PHE 835 N -5.58 0.00 0.16 0.41 7.35 -1.15 -2.47 117.46 116.18 3fgo n PHE 835 Ca -0.15 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.40 3fgo n PHE 835 Cb 0.49 -0.47 -0.08 0.00 0.35 0.00 0.00 39.48 39.77 3fgo n PHE 835 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 3fgo h ARG 836 N 0.00 -0.34 -0.40 -4.13 2.43 -0.94 -2.57 114.38 108.43 3fgo h ARG 836 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3fgo h ARG 836 Cb 0.19 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3fgo h ARG 836 CO 0.00 -0.17 0.00 2.48 -1.51 0.00 0.00 179.97 180.77 3fgo n TYR 837 N -5.21 0.52 0.41 2.20 0.18 -1.19 -2.55 117.16 111.53 3fgo n TYR 837 Ca -0.10 -0.33 0.13 0.00 1.88 0.00 0.00 57.90 59.49 3fgo n TYR 837 Cb 0.18 -0.01 0.43 0.00 -0.38 0.00 0.00 39.34 39.57 3fgo n TYR 837 CO 0.00 0.00 0.00 0.52 -2.08 0.00 0.00 176.86 175.30 3fgo h MET 838 N 3.55 0.00 0.03 -3.48 2.86 -1.48 1.00 114.93 117.40 3fgo h MET 838 Ca 0.00 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.43 3fgo h MET 838 Cb 0.86 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.50 3fgo h MET 838 CO 0.00 0.00 -1.14 0.00 1.06 0.00 0.00 176.91 176.83 3fgo h ALA 839 N 2.25 0.22 0.00 6.32 0.00 -1.37 -1.56 119.26 125.11 3fgo h ALA 839 Ca 0.00 -1.10 -0.03 0.00 0.00 0.00 0.00 54.91 53.78 3fgo h ALA 839 Cb 0.65 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3fgo h ALA 839 CO 0.00 0.66 -0.15 0.82 0.00 0.00 0.00 179.25 180.58 3fgo h ILE 840 N -0.82 0.66 0.03 0.00 1.08 -1.48 -1.98 117.51 115.00 3fgo h ILE 840 Ca -0.29 -0.63 -0.25 0.00 -0.39 0.00 0.00 64.86 63.30 3fgo h ILE 840 Cb 1.38 1.40 -0.03 0.00 -3.07 0.00 0.00 36.82 36.50 3fgo h ILE 840 CO -0.12 0.15 -1.23 1.23 -0.69 0.00 0.00 178.15 177.49 3fgo h GLY 841 N 0.94 0.08 2.00 5.37 0.00 0.94 -2.59 103.07 109.81 3fgo h GLY 841 Ca -0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 3fgo h GLY 841 CO 0.02 0.19 -0.17 -1.33 0.00 0.00 0.00 176.54 175.24 3fgo h GLY 842 N 2.70 0.00 0.00 4.60 0.00 -0.86 -1.70 103.07 107.81 3fgo h GLY 842 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 3fgo h GLY 842 CO 0.14 0.00 -0.03 -1.82 0.00 0.00 0.00 176.54 174.82 3fgo h TYR 843 N 0.00 0.00 0.09 5.60 3.20 -1.35 -3.07 116.97 121.44 3fgo h TYR 843 Ca -0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 3fgo h TYR 843 Cb 0.70 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.97 3fgo h TYR 843 CO 0.00 0.86 -0.04 -0.24 -1.64 0.00 0.00 178.16 177.10 3fgo h VAL 844 N -1.00 0.92 -0.85 1.81 3.04 -1.51 0.53 116.25 119.20 3fgo h VAL 844 Ca -0.01 -0.03 0.23 0.00 -1.01 0.00 0.00 66.70 65.88 3fgo h VAL 844 Cb 0.86 0.95 -0.04 0.00 -2.01 0.00 0.00 31.29 31.04 3fgo h VAL 844 CO -0.01 0.01 0.60 1.23 -1.01 0.00 0.00 177.57 178.39 3fgo h GLY 845 N -0.13 0.28 0.00 3.17 0.00 -1.30 -2.30 103.07 102.78 3fgo h GLY 845 Ca -0.01 -0.06 -0.14 0.00 0.00 0.00 0.00 47.33 47.12 3fgo h GLY 845 CO 0.02 -0.00 -1.11 0.00 0.00 0.00 0.00 176.54 175.44 3fgo n ALA 846 N -2.64 0.72 0.17 3.60 0.00 -0.96 -3.31 120.51 118.09 3fgo n ALA 846 Ca 0.18 -0.59 0.09 0.00 0.00 0.00 0.00 53.44 53.12 3fgo n ALA 846 Cb 0.84 -0.17 0.48 0.00 0.00 0.00 0.00 19.45 20.60 3fgo n ALA 846 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fgo h ALA 847 N -0.82 1.12 0.01 0.00 0.00 0.16 0.54 119.26 120.27 3fgo h ALA 847 Ca -0.22 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 3fgo h ALA 847 Cb 1.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3fgo h ALA 847 CO -0.13 -0.12 -0.90 1.79 0.00 0.00 0.00 179.25 179.88 3fgo h THR 848 N 0.00 1.19 0.00 0.00 1.35 -1.61 -2.92 112.91 110.92 3fgo h THR 848 Ca 0.00 -2.25 -0.00 0.00 -0.55 0.00 0.00 66.41 63.61 3fgo h THR 848 Cb 0.37 2.62 -0.00 0.00 -1.73 0.00 0.00 68.15 69.40 3fgo h THR 848 CO 0.00 0.44 -0.01 0.58 -0.25 0.00 0.00 175.52 176.28 3fgo h VAL 849 N -0.93 0.04 0.00 6.82 2.07 -1.20 -2.52 116.25 120.53 3fgo h VAL 849 Ca -0.24 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3fgo h VAL 849 Cb 1.26 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 3fgo h VAL 849 CO -0.12 0.01 -0.86 0.61 0.02 0.00 0.00 177.57 177.23 3fgo n GLY 850 N -0.50 -1.29 0.00 2.17 0.00 0.17 -2.45 105.19 103.30 3fgo n GLY 850 Ca -0.01 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.75 3fgo n GLY 850 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fgo n ALA 851 N -1.82 3.76 0.03 4.61 0.00 -1.08 -3.08 120.51 122.93 3fgo n ALA 851 Ca 0.03 -0.49 -0.22 0.00 0.00 0.00 0.00 53.44 52.76 3fgo n ALA 851 Cb 0.43 -0.65 -0.14 0.00 0.00 0.00 0.00 19.45 19.09 3fgo n ALA 851 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fgo h ALA 852 N 2.25 0.14 0.00 0.00 0.00 -1.55 -3.26 119.26 116.84 3fgo h ALA 852 Ca 0.00 -1.06 -0.12 0.00 0.00 0.00 0.00 54.91 53.73 3fgo h ALA 852 Cb 0.58 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3fgo h ALA 852 CO 0.00 0.82 -0.59 0.00 0.00 0.00 0.00 179.25 179.48 3fgo h ALA 853 N 0.00 0.96 -0.73 0.00 0.00 -1.68 -2.99 119.26 114.82 3fgo h ALA 853 Ca -0.30 -0.54 0.09 0.00 0.00 0.00 0.00 54.91 54.16 3fgo h ALA 853 Cb 1.83 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.46 3fgo h ALA 853 CO 0.10 0.74 0.37 2.35 0.00 0.00 0.00 179.25 182.81 3fgo h TRP 854 N 0.00 0.67 0.00 0.00 7.01 -1.66 0.10 115.95 122.08 3fgo h TRP 854 Ca -0.01 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.02 3fgo h TRP 854 Cb 1.09 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.96 3fgo h TRP 854 CO 0.00 0.25 0.00 2.35 -2.79 0.00 0.00 178.44 178.25 3fgo h TRP 855 N 0.64 0.00 0.00 2.65 7.01 -1.56 -1.86 115.95 122.82 3fgo h TRP 855 Ca 0.35 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.35 3fgo h TRP 855 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.42 3fgo h TRP 855 CO -0.10 0.00 0.00 1.19 -2.79 0.00 0.00 178.44 176.74 3fgo n PHE 856 N -2.59 0.00 0.00 2.65 3.01 0.33 -3.21 117.46 117.65 3fgo n PHE 856 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 3fgo n PHE 856 Cb 0.07 -0.33 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 3fgo n PHE 856 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 3fgo n MET 857 N -1.55 0.00 0.00 -1.08 2.81 -1.04 -2.68 117.12 113.57 3fgo n MET 857 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3fgo n MET 857 Cb 0.00 -0.23 0.00 0.00 -0.71 0.00 0.00 33.22 32.28 3fgo n MET 857 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3fgo n TYR 858 N -0.13 0.00 -4.22 2.03 4.02 -1.21 -3.97 117.16 113.68 3fgo n TYR 858 Ca 0.00 -0.05 -0.23 0.00 -0.01 0.00 0.00 57.90 57.61 3fgo n TYR 858 Cb 0.00 -0.10 -0.06 0.00 -0.02 0.00 0.00 39.34 39.16 3fgo n TYR 858 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3fgo s ALA 859 N -0.83 3.33 -0.07 -0.72 0.00 -0.71 -4.98 121.76 117.78 3fgo s ALA 859 Ca 0.00 -1.53 -0.27 0.00 0.00 0.00 0.00 51.96 50.16 3fgo s ALA 859 Cb 0.00 -1.00 -0.23 0.00 0.00 0.00 0.00 23.12 21.89 3fgo s ALA 859 CO 0.00 0.29 1.04 1.05 0.00 0.00 0.00 175.76 178.14 3fgo h GLU 860 N 1.83 -0.00 -2.19 0.00 4.11 -1.85 -3.40 114.58 113.07 3fgo h GLU 860 Ca -0.46 0.00 -0.59 0.00 0.07 0.00 0.00 59.36 58.38 3fgo h GLU 860 Cb 1.24 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 30.07 3fgo h GLU 860 CO 0.60 0.71 -0.69 -0.25 0.07 0.00 0.00 179.01 179.45 3fgo n ASP 861 N -4.75 3.44 0.00 3.06 9.92 -1.26 -4.70 116.55 122.26 3fgo n ASP 861 Ca -0.09 -3.41 0.00 0.00 -0.53 0.00 0.00 54.79 50.76 3fgo n ASP 861 Cb 0.35 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 40.20 3fgo n ASP 861 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3fgo n GLY 862 N 0.57 0.95 0.37 0.44 0.00 -1.20 -5.04 105.19 101.29 3fgo n GLY 862 Ca 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.20 3fgo n GLY 862 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fgo h PRO 863 N 0.00 -0.39 0.00 1.61 0.11 -1.77 -3.43 132.00 128.12 3fgo h PRO 863 Ca 0.00 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3fgo h PRO 863 Cb 0.00 0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.20 3fgo h PRO 863 CO 0.00 -0.26 0.00 0.41 -0.21 0.00 0.00 178.00 177.94 3fgo n GLY 864 N -1.42 -1.86 3.51 -0.55 0.00 -1.26 -4.85 105.19 98.76 3fgo n GLY 864 Ca -0.03 0.50 -0.38 0.00 0.00 0.00 0.00 46.02 46.11 3fgo n GLY 864 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3fgo n VAL 865 N -2.55 -0.02 0.00 1.61 0.31 -1.09 -4.35 118.33 112.24 3fgo n VAL 865 Ca 0.00 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3fgo n VAL 865 Cb 0.00 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 3fgo n VAL 865 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3fgo n THR 866 N 7.48 0.00 0.00 2.52 -2.24 -1.26 -5.00 114.28 115.77 3fgo n THR 866 Ca 0.60 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.38 3fgo n THR 866 Cb 0.15 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3fgo n THR 866 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3fgo n TYR 867 N -1.09 0.00 0.30 4.78 4.01 -1.26 -1.46 117.16 122.43 3fgo n TYR 867 Ca 0.00 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.92 3fgo n TYR 867 Cb 0.01 0.00 0.90 0.00 -0.31 0.00 0.00 39.34 39.93 3fgo n TYR 867 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3fgo h HIS 868 N 0.00 0.00 -0.00 -0.72 2.76 -1.98 -1.61 115.15 113.59 3fgo h HIS 868 Ca 0.00 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.04 3fgo h HIS 868 Cb 0.00 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.94 3fgo h HIS 868 CO 0.00 0.04 -0.61 1.96 -1.30 0.00 0.00 177.93 178.02 3fgo h GLN 869 N 0.00 0.00 -0.66 5.26 4.20 -1.60 -3.15 115.11 119.16 3fgo h GLN 869 Ca -0.00 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3fgo h GLN 869 Cb 0.26 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 3fgo h GLN 869 CO 0.01 0.61 0.30 1.25 -0.67 0.00 0.00 178.83 180.33 3fgo h LEU 870 N 0.00 0.88 -1.16 1.46 5.85 -1.43 -0.68 115.31 120.24 3fgo h LEU 870 Ca -0.01 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3fgo h LEU 870 Cb 1.08 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.88 3fgo h LEU 870 CO 0.08 0.78 0.00 0.35 -0.34 0.00 0.00 178.44 179.31 3fgo n THR 871 N -4.45 0.13 -2.93 1.05 -2.24 -1.19 -3.82 114.28 100.83 3fgo n THR 871 Ca 0.05 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.69 3fgo n THR 871 Cb 0.14 -0.50 0.02 0.00 -2.10 0.00 0.00 70.33 67.89 3fgo n THR 871 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3fgo n HIS 872 N 0.16 -1.86 1.03 4.78 8.25 -0.26 -4.73 115.22 122.58 3fgo n HIS 872 Ca 0.00 -2.67 0.11 0.00 -0.26 0.00 0.00 57.72 54.91 3fgo n HIS 872 Cb 0.24 0.76 0.09 0.00 1.12 0.00 0.00 29.99 32.20 3fgo n HIS 872 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 3fgo n PHE 873 N 1.01 0.00 0.23 4.41 -1.74 -1.24 -4.10 117.46 116.03 3fgo n PHE 873 Ca 0.14 0.00 0.09 0.00 -0.56 0.00 0.00 57.45 57.12 3fgo n PHE 873 Cb 0.63 -0.10 0.54 0.00 1.52 0.00 0.00 39.48 42.07 3fgo n PHE 873 CO 0.00 0.00 0.00 0.52 -0.56 0.00 0.00 176.76 176.72 3fgo h MET 874 N 0.48 0.00 -1.61 3.97 2.86 -1.92 -3.19 114.93 115.51 3fgo h MET 874 Ca 0.00 0.00 -0.66 0.00 -2.06 0.00 0.00 59.70 56.98 3fgo h MET 874 Cb 0.53 0.00 -0.36 0.00 0.06 0.00 0.00 31.60 31.84 3fgo h MET 874 CO 0.00 0.23 0.02 1.04 1.06 0.00 0.00 176.91 179.25 3fgo n GLN 875 N -3.73 3.15 -0.09 1.72 6.02 -1.26 -4.44 117.38 118.75 3fgo n GLN 875 Ca -0.01 -4.05 -0.07 0.00 -0.01 0.00 0.00 57.00 52.85 3fgo n GLN 875 Cb 0.34 -2.26 -0.16 0.00 1.02 0.00 0.00 30.24 29.18 3fgo n GLN 875 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3fgo h THR 877 N 0.00 1.54 0.00 0.00 2.02 -1.83 -3.29 112.91 111.35 3fgo h THR 877 Ca -0.46 -1.88 0.00 0.00 0.77 0.00 0.00 66.41 64.84 3fgo h THR 877 Cb 2.04 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 71.17 3fgo h THR 877 CO 0.03 0.51 0.00 -0.62 0.37 0.00 0.00 175.52 175.81 3fgo n GLU 878 N -4.53 0.00 -1.38 6.66 -0.58 -1.26 -4.35 120.64 115.20 3fgo n GLU 878 Ca -0.09 0.27 -0.32 0.00 -0.42 0.00 0.00 57.16 56.59 3fgo n GLU 878 Cb 0.48 -0.85 -0.06 0.00 -0.57 0.00 0.00 31.44 30.44 3fgo n GLU 878 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3fgo n ASP 879 N -1.30 7.71 -0.26 1.62 -0.08 -1.14 -4.72 116.55 118.38 3fgo n ASP 879 Ca 0.00 -2.70 -0.05 0.00 -1.51 0.00 0.00 54.79 50.53 3fgo n ASP 879 Cb 0.00 -1.47 0.06 0.00 2.34 0.00 0.00 41.12 42.05 3fgo n ASP 879 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 3fgo h HIS 880 N 4.34 0.91 -0.99 -0.67 -0.00 -1.70 -3.11 115.15 113.93 3fgo h HIS 880 Ca 0.66 0.02 0.32 0.00 -0.00 0.00 0.00 60.37 61.37 3fgo h HIS 880 Cb 0.59 -0.31 -0.18 0.00 -0.00 0.00 0.00 27.41 27.51 3fgo h HIS 880 CO 1.79 0.57 0.21 -1.35 -0.00 0.00 0.00 177.93 179.15 3fgo h PRO 881 N 0.98 0.01 -0.27 5.26 0.11 -1.90 0.30 132.00 136.50 3fgo h PRO 881 Ca 0.27 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.43 3fgo h PRO 881 Cb -0.11 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 30.92 3fgo h PRO 881 CO -0.06 0.01 -0.45 0.45 -0.21 0.00 0.00 178.00 177.74 3fgo h HIS 882 N 0.01 -1.32 -0.48 0.65 3.86 -1.90 -3.22 115.15 112.75 3fgo h HIS 882 Ca 0.68 0.06 -0.62 0.00 -1.16 0.00 0.00 60.37 59.34 3fgo h HIS 882 Cb 1.57 0.61 -0.05 0.00 1.06 0.00 0.00 27.41 30.61 3fgo h HIS 882 CO -0.33 -0.47 2.24 1.19 0.86 0.00 0.00 177.93 181.42 3fgo n PHE 883 N -5.42 3.72 -4.00 2.45 3.72 0.10 -4.93 117.46 113.10 3fgo n PHE 883 Ca -0.03 -2.50 -0.36 0.00 -0.05 0.00 0.00 57.45 54.51 3fgo n PHE 883 Cb 0.36 -2.51 -0.07 0.00 -0.94 0.00 0.00 39.48 36.32 3fgo n PHE 883 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3fgo s GLU 884 N 4.48 3.32 0.00 -1.08 0.41 -1.22 -4.28 118.70 120.33 3fgo s GLU 884 Ca 0.55 -0.22 0.00 0.00 -0.41 0.00 0.00 54.97 54.90 3fgo s GLU 884 Cb 0.07 -3.08 0.00 0.00 -1.78 0.00 0.00 34.13 29.33 3fgo s GLU 884 CO 0.05 0.75 0.00 0.41 -0.49 0.00 0.00 175.26 175.98 3fgo n GLY 885 N 1.92 0.75 3.32 -1.39 0.00 -1.26 -5.06 105.19 103.47 3fgo n GLY 885 Ca -0.19 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 3fgo n GLY 885 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3fgo s LEU 886 N 0.00 0.42 0.86 0.99 2.34 -1.26 -4.78 118.68 117.25 3fgo s LEU 886 Ca 0.00 -0.04 -0.13 0.00 0.06 0.00 0.00 54.13 54.02 3fgo s LEU 886 Cb 0.00 1.74 0.11 0.00 -0.56 0.00 0.00 46.19 47.48 3fgo s LEU 886 CO 0.00 -0.68 1.20 -0.62 -1.06 0.00 0.00 176.35 175.19 3fgo s ASP 887 N -2.08 4.03 -0.69 1.48 2.15 -1.26 -5.02 116.67 115.28 3fgo s ASP 887 Ca -0.04 0.72 0.04 0.00 0.43 0.00 0.00 52.55 53.69 3fgo s ASP 887 Cb -0.01 -1.14 0.31 0.00 -0.30 0.00 0.00 42.92 41.78 3fgo s ASP 887 CO -0.03 -2.20 1.03 0.00 -0.17 0.00 0.00 175.17 173.80 3fgo n GLU 889 N 0.26 0.00 0.00 0.00 2.13 -1.26 -4.93 120.64 116.83 3fgo n GLU 889 Ca 0.32 0.00 0.08 0.00 0.66 0.00 0.00 57.16 58.22 3fgo n GLU 889 Cb 0.38 0.00 0.45 0.00 0.27 0.00 0.00 31.44 32.54 3fgo n GLU 889 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3fgo n ILE 890 N -0.05 0.00 1.67 6.31 5.41 -1.26 -1.27 119.36 130.17 3fgo n ILE 890 Ca 0.00 0.00 0.15 0.00 1.00 0.00 0.00 62.75 63.90 3fgo n ILE 890 Cb 0.00 -0.55 0.74 0.00 -0.71 0.00 0.00 39.64 39.12 3fgo n ILE 890 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3fgo n PHE 891 N -0.87 0.00 -2.22 1.39 3.01 -1.26 -3.77 117.46 113.74 3fgo n PHE 891 Ca 0.11 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.36 3fgo n PHE 891 Cb 0.05 -0.07 0.02 0.00 -0.01 0.00 0.00 39.48 39.47 3fgo n PHE 891 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3fgo n GLU 892 N -0.73 3.29 -3.18 -1.08 1.02 -0.40 -4.93 120.64 114.62 3fgo n GLU 892 Ca 0.19 -4.13 -0.36 0.00 -0.02 0.00 0.00 57.16 52.84 3fgo n GLU 892 Cb 0.22 -2.16 -0.06 0.00 -0.02 0.00 0.00 31.44 29.42 3fgo n GLU 892 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fgo s ALA 893 N -3.60 3.47 0.28 0.62 0.00 -1.25 -4.99 121.76 116.30 3fgo s ALA 893 Ca 0.47 0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.57 3fgo s ALA 893 Cb 0.40 -2.73 0.41 0.00 0.00 0.00 0.00 23.12 21.20 3fgo s ALA 893 CO -0.01 0.37 1.66 -1.35 0.00 0.00 0.00 175.76 176.43 3fgo h PRO 894 N 3.54 0.22 -0.16 0.00 0.11 -1.92 -3.34 132.00 130.44 3fgo h PRO 894 Ca -0.48 -0.12 0.03 0.00 0.11 0.00 0.00 66.00 65.54 3fgo h PRO 894 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3fgo h PRO 894 CO 0.65 0.65 -0.01 0.93 -0.21 0.00 0.00 178.00 180.01 3fgo h GLU 895 N 0.18 0.04 -0.86 1.05 3.07 -1.88 0.19 114.58 116.37 3fgo h GLU 895 Ca 0.01 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 3fgo h GLU 895 Cb 0.90 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.76 3fgo h GLU 895 CO 0.07 0.03 0.49 -1.00 -1.40 0.00 0.00 179.01 177.20 3fgo h PRO 896 N 0.04 1.18 -0.07 2.33 0.13 -1.86 0.19 132.00 133.94 3fgo h PRO 896 Ca 0.08 -0.13 -0.17 0.00 -0.87 0.00 0.00 66.00 64.91 3fgo h PRO 896 Cb 0.10 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 30.98 3fgo h PRO 896 CO -0.14 0.85 -0.68 0.52 -0.23 0.00 0.00 178.00 178.32 3fgo h MET 897 N 1.19 0.32 -0.11 0.86 2.86 -1.65 -1.14 114.93 117.25 3fgo h MET 897 Ca 0.30 -0.25 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 3fgo h MET 897 Cb -0.00 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3fgo h MET 897 CO -0.05 0.88 -0.12 1.15 1.06 0.00 0.00 176.91 179.83 3fgo h THR 898 N 0.22 1.15 -0.19 2.22 2.02 -0.05 0.24 112.91 118.52 3fgo h THR 898 Ca -0.02 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 3fgo h THR 898 Cb 1.23 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 3fgo h THR 898 CO 0.11 0.21 0.02 0.24 0.37 0.00 0.00 175.52 176.47 3fgo h MET 899 N 0.17 0.33 0.45 6.66 2.86 -0.16 -0.85 114.93 124.38 3fgo h MET 899 Ca 0.04 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3fgo h MET 899 Cb 0.32 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.95 3fgo h MET 899 CO 0.02 0.50 -0.21 0.00 1.06 0.00 0.00 176.91 178.28 3fgo h ALA 900 N 0.81 -0.60 -0.18 6.32 0.00 -0.35 -1.53 119.26 123.73 3fgo h ALA 900 Ca 0.06 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3fgo h ALA 900 Cb 0.34 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3fgo h ALA 900 CO 0.01 -0.83 0.07 1.25 0.00 0.00 0.00 179.25 179.75 3fgo h LEU 901 N -0.61 0.10 -2.14 0.00 5.85 -0.64 -1.62 115.31 116.26 3fgo h LEU 901 Ca -0.06 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.75 3fgo h LEU 901 Cb 0.46 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3fgo h LEU 901 CO 0.10 0.08 0.24 0.28 -0.34 0.00 0.00 178.44 178.80 3fgo h SER 902 N 0.17 0.00 0.17 1.25 0.02 -1.04 0.21 113.55 114.32 3fgo h SER 902 Ca 0.07 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3fgo h SER 902 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3fgo h SER 902 CO -0.07 0.00 -0.08 0.58 -1.14 0.00 0.00 176.83 176.12 3fgo h VAL 903 N 0.00 0.79 -0.01 2.27 2.07 -0.41 -2.47 116.25 118.48 3fgo h VAL 903 Ca 0.12 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 66.54 3fgo h VAL 903 Cb 0.59 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 3fgo h VAL 903 CO -0.00 0.21 -0.50 0.25 0.02 0.00 0.00 177.57 177.55 3fgo h LEU 904 N -0.89 -1.55 -1.49 2.57 5.85 -0.37 0.93 115.31 120.37 3fgo h LEU 904 Ca -0.02 0.18 0.19 0.00 0.84 0.00 0.00 57.88 59.06 3fgo h LEU 904 Cb 0.51 0.59 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 3fgo h LEU 904 CO 0.04 -0.50 0.58 0.58 -0.34 0.00 0.00 178.44 178.79 3fgo h VAL 905 N -0.64 0.72 0.15 1.05 2.07 -0.78 0.36 116.25 119.18 3fgo h VAL 905 Ca 0.03 -0.15 -0.30 0.00 0.82 0.00 0.00 66.70 67.10 3fgo h VAL 905 Cb 0.70 0.23 0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3fgo h VAL 905 CO -0.35 0.08 -1.26 0.74 0.02 0.00 0.00 177.57 176.80 3fgo h THR 906 N 0.45 1.30 -0.40 2.57 2.02 -0.57 -2.31 112.91 115.97 3fgo h THR 906 Ca 0.45 -2.51 -0.03 0.00 0.77 0.00 0.00 66.41 65.09 3fgo h THR 906 Cb 1.06 2.81 -0.02 0.00 -1.74 0.00 0.00 68.15 70.26 3fgo h THR 906 CO -0.17 0.76 0.12 0.40 0.37 0.00 0.00 175.52 176.99 3fgo h ILE 907 N 0.19 1.22 -0.36 3.11 2.04 0.20 -2.32 117.51 121.59 3fgo h ILE 907 Ca -0.20 -0.73 -0.10 0.00 1.00 0.00 0.00 64.86 64.83 3fgo h ILE 907 Cb 1.95 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 3fgo h ILE 907 CO 0.24 0.26 -0.18 -0.33 0.00 0.00 0.00 178.15 178.14 3fgo h GLU 908 N 0.50 0.76 -0.95 2.37 4.39 -0.42 0.51 114.58 121.74 3fgo h GLU 908 Ca 0.13 -0.33 0.05 0.00 0.34 0.00 0.00 59.36 59.55 3fgo h GLU 908 Cb 0.27 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.84 3fgo h GLU 908 CO -0.00 0.95 0.61 0.52 -1.16 0.00 0.00 179.01 179.93 3fgo h MET 909 N 0.55 1.11 -0.31 2.33 2.86 -1.41 0.30 114.93 120.35 3fgo h MET 909 Ca 0.08 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.57 3fgo h MET 909 Cb 0.72 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 3fgo h MET 909 CO 0.05 0.74 -0.14 0.00 1.06 0.00 0.00 176.91 178.62 3fgo n ASN 911 N -4.39 0.00 0.08 0.00 5.15 0.18 -0.43 115.26 115.86 3fgo n ASN 911 Ca -0.03 0.37 0.01 0.00 -0.60 0.00 0.00 54.58 54.33 3fgo n ASN 911 Cb 0.38 -0.40 -0.04 0.00 -0.53 0.00 0.00 39.78 39.19 3fgo n ASN 911 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fgo h ALA 912 N 2.19 0.64 0.01 5.20 0.00 -0.73 -3.22 119.26 123.36 3fgo h ALA 912 Ca 0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 54.91 54.19 3fgo h ALA 912 Cb 0.06 0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.95 3fgo h ALA 912 CO 0.00 0.80 -0.23 -0.07 0.00 0.00 0.00 179.25 179.75 3fgo h LEU 913 N 0.00 0.17 0.00 0.00 3.38 -0.83 -3.02 115.31 115.01 3fgo h LEU 913 Ca -0.08 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.05 3fgo h LEU 913 Cb 1.50 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.20 3fgo h LEU 913 CO 0.06 1.00 0.00 0.59 0.09 0.00 0.00 178.44 180.18 3fgo n ASN 914 N -4.51 0.00 0.00 -0.43 5.03 -1.18 -0.92 115.26 113.25 3fgo n ASN 914 Ca -0.10 -0.43 0.11 0.00 0.87 0.00 0.00 54.58 55.03 3fgo n ASN 914 Cb 0.52 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.18 3fgo n ASN 914 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3fgo n SER 915 N -0.97 0.57 -0.11 6.41 7.64 -1.15 -4.21 113.62 121.80 3fgo n SER 915 Ca 0.09 -0.45 0.14 0.00 1.01 0.00 0.00 58.87 59.66 3fgo n SER 915 Cb 0.04 1.26 0.51 0.00 -1.01 0.00 0.00 64.21 65.01 3fgo n SER 915 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3fgo h LEU 916 N 0.00 0.35 -8.15 -3.43 3.38 -0.96 -3.43 115.31 103.07 3fgo h LEU 916 Ca 0.00 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 3fgo h LEU 916 Cb 0.72 -0.06 -0.16 0.00 0.09 0.00 0.00 40.66 41.25 3fgo h LEU 916 CO 0.00 0.20 -0.66 -0.55 0.09 0.00 0.00 178.44 177.52 3fgo s SER 917 N -6.13 0.41 -0.07 -0.43 0.15 -1.26 -5.06 113.70 101.31 3fgo s SER 917 Ca -0.08 -0.86 -0.10 0.00 0.70 0.00 0.00 55.95 55.61 3fgo s SER 917 Cb 0.20 0.19 -0.29 0.00 -1.71 0.00 0.00 66.02 64.41 3fgo s SER 917 CO 0.75 -0.55 0.57 -0.08 1.20 0.00 0.00 173.24 175.14 3fgo h GLU 918 N 3.42 0.36 0.00 5.44 4.81 -1.83 -3.45 114.58 123.33 3fgo h GLU 918 Ca -0.34 -0.61 0.00 0.00 -0.13 0.00 0.00 59.36 58.28 3fgo h GLU 918 Cb 1.16 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.77 3fgo h GLU 918 CO 0.60 1.29 -0.90 0.09 -0.73 0.00 0.00 179.01 179.36 3fgo n ASN 919 N -3.56 2.10 -4.55 1.04 4.13 -1.26 -4.91 115.26 108.25 3fgo n ASN 919 Ca -0.27 0.00 -0.45 0.00 1.68 0.00 0.00 54.58 55.54 3fgo n ASN 919 Cb 1.07 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 39.27 3fgo n ASN 919 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3fgo n GLN 920 N -2.63 1.63 -1.02 3.52 6.02 -1.26 -4.70 117.38 118.94 3fgo n GLN 920 Ca 0.00 0.43 -0.35 0.00 -0.01 0.00 0.00 57.00 57.06 3fgo n GLN 920 Cb 0.45 -3.02 0.07 0.00 1.02 0.00 0.00 30.24 28.76 3fgo n GLN 920 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3fgo n SER 921 N 11.46 -3.34 0.28 1.08 7.64 -1.26 -4.58 113.62 124.91 3fgo n SER 921 Ca 0.34 0.38 0.16 0.00 1.01 0.00 0.00 58.87 60.76 3fgo n SER 921 Cb 0.39 -1.03 0.81 0.00 -1.01 0.00 0.00 64.21 63.37 3fgo n SER 921 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3fgo h LEU 922 N -0.93 0.00 0.09 -3.43 4.07 -1.92 -0.07 115.31 113.13 3fgo h LEU 922 Ca -0.44 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.54 3fgo h LEU 922 Cb 1.32 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 43.02 3fgo h LEU 922 CO 0.33 0.06 -0.27 0.24 -1.08 0.00 0.00 178.44 177.72 3fgo h MET 923 N 0.00 -0.45 0.00 1.13 2.86 -1.98 -3.17 114.93 113.32 3fgo h MET 923 Ca -0.00 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3fgo h MET 923 Cb 0.35 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 3fgo h MET 923 CO 0.01 -0.30 -0.77 0.00 1.06 0.00 0.00 176.91 176.91 3fgo h ARG 924 N -0.47 0.00 -4.51 1.72 3.08 -1.77 -3.41 114.38 109.02 3fgo h ARG 924 Ca 0.04 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.45 3fgo h ARG 924 Cb 0.51 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 30.18 3fgo h ARG 924 CO -0.18 0.02 -0.78 1.41 -1.07 0.00 0.00 179.97 179.38 3fgo s MET 925 N -3.30 1.73 0.56 0.04 0.00 -0.08 -5.00 119.30 113.24 3fgo s MET 925 Ca 0.01 -1.24 -0.21 0.00 0.00 0.00 0.00 55.69 54.26 3fgo s MET 925 Cb 0.08 -2.74 -0.05 0.00 0.00 0.00 0.00 34.83 32.13 3fgo s MET 925 CO 0.76 -0.67 1.18 -2.30 0.00 0.00 0.00 175.02 174.00 3fgo n PRO 926 N 4.55 1.34 0.00 4.11 -0.02 -1.23 -4.18 135.00 139.56 3fgo n PRO 926 Ca -0.10 0.50 0.10 0.00 -2.02 0.00 0.00 63.50 61.99 3fgo n PRO 926 Cb 0.43 -2.37 0.48 0.00 -0.02 0.00 0.00 33.50 32.02 3fgo n PRO 926 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3fgo n PRO 927 N -0.95 0.10 -0.14 0.52 -0.02 -1.26 -2.93 135.00 130.32 3fgo n PRO 927 Ca 0.12 0.12 0.10 0.00 -2.02 0.00 0.00 63.50 61.81 3fgo n PRO 927 Cb 0.45 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.72 3fgo n PRO 927 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3fgo n TRP 928 N -1.43 0.38 0.31 6.00 2.14 -1.26 -4.45 117.44 119.12 3fgo n TRP 928 Ca 0.07 -0.19 -0.12 0.00 2.07 0.00 0.00 57.50 59.33 3fgo n TRP 928 Cb 0.22 0.00 -0.06 0.00 -0.81 0.00 0.00 31.31 30.66 3fgo n TRP 928 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 3fgo h VAL 929 N 2.68 0.00 -2.72 -1.67 2.07 -1.91 -3.36 116.25 111.35 3fgo h VAL 929 Ca 0.00 -0.07 -0.73 0.00 0.82 0.00 0.00 66.70 66.72 3fgo h VAL 929 Cb 0.60 0.00 -0.20 0.00 -1.52 0.00 0.00 31.29 30.16 3fgo h VAL 929 CO 0.00 0.00 0.81 0.21 0.02 0.00 0.00 177.57 178.61 3fgo s ASN 930 N -3.43 6.86 0.30 0.57 2.47 -1.26 -4.89 114.94 115.56 3fgo s ASN 930 Ca -0.12 -2.62 0.05 0.00 0.42 0.00 0.00 52.86 50.60 3fgo s ASN 930 Cb 0.01 -2.34 0.77 0.00 -1.45 0.00 0.00 41.25 38.24 3fgo s ASN 930 CO 0.35 -0.79 1.70 0.40 -3.72 0.00 0.00 177.10 175.03 3fgo h ILE 931 N 5.06 0.47 0.00 -5.21 1.08 -1.89 0.18 117.51 117.20 3fgo h ILE 931 Ca 0.20 -0.14 -0.00 0.00 -0.39 0.00 0.00 64.86 64.52 3fgo h ILE 931 Cb 0.97 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.73 3fgo h ILE 931 CO 1.07 0.08 -0.02 -0.50 -0.69 0.00 0.00 178.15 178.09 3fgo h TRP 932 N 0.42 0.00 -0.04 1.37 6.55 -1.93 0.44 115.95 122.76 3fgo h TRP 932 Ca 0.58 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 60.32 3fgo h TRP 932 Cb 1.12 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.41 3fgo h TRP 932 CO -0.11 0.02 -0.43 1.25 -1.05 0.00 0.00 178.44 178.11 3fgo h LEU 933 N 0.00 0.08 0.21 -4.49 5.85 -0.91 -1.06 115.31 115.00 3fgo h LEU 933 Ca -0.00 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3fgo h LEU 933 Cb 0.05 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3fgo h LEU 933 CO 0.00 0.51 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.44 3fgo h LEU 934 N 0.07 -0.24 -2.18 2.25 3.38 -0.13 -1.62 115.31 116.84 3fgo h LEU 934 Ca 0.00 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.73 3fgo h LEU 934 Cb 0.79 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 3fgo h LEU 934 CO 0.06 0.20 0.08 1.23 0.09 0.00 0.00 178.44 180.10 3fgo h GLY 935 N -0.76 0.00 0.77 0.83 0.00 -1.49 -1.39 103.07 101.03 3fgo h GLY 935 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 3fgo h GLY 935 CO 0.05 0.00 -0.02 0.23 0.00 0.00 0.00 176.54 176.80 3fgo h SER 936 N 0.00 -0.04 0.10 0.19 0.87 -0.92 -2.58 113.55 111.16 3fgo h SER 936 Ca 0.05 -0.22 -0.24 0.00 -1.23 0.00 0.00 61.79 60.15 3fgo h SER 936 Cb 0.21 0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.19 3fgo h SER 936 CO -0.00 0.20 -0.94 0.40 -0.53 0.00 0.00 176.83 175.96 3fgo h ILE 937 N -0.29 1.33 0.00 2.23 2.04 -0.83 -2.37 117.51 119.62 3fgo h ILE 937 Ca -0.01 -2.25 -0.02 0.00 1.00 0.00 0.00 64.86 63.59 3fgo h ILE 937 Cb 0.26 2.29 -0.00 0.00 -0.74 0.00 0.00 36.82 38.63 3fgo h ILE 937 CO 0.01 0.69 -0.07 0.00 0.00 0.00 0.00 178.15 178.78 3fgo h LEU 939 N 0.00 0.14 -0.33 0.00 5.85 -1.39 -1.24 115.31 118.33 3fgo h LEU 939 Ca -0.00 -0.76 0.03 0.00 0.84 0.00 0.00 57.88 58.00 3fgo h LEU 939 Cb 0.17 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3fgo h LEU 939 CO 0.01 0.88 0.13 0.28 -0.34 0.00 0.00 178.44 179.40 3fgo h SER 940 N -0.58 0.17 0.19 1.25 0.02 -0.68 0.16 113.55 114.07 3fgo h SER 940 Ca -0.02 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3fgo h SER 940 Cb 0.89 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 3fgo h SER 940 CO 0.03 0.13 -0.20 0.24 -1.14 0.00 0.00 176.83 175.89 3fgo h MET 941 N 0.29 -0.41 0.00 3.45 2.86 0.51 0.10 114.93 121.73 3fgo h MET 941 Ca 0.15 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3fgo h MET 941 Cb 0.10 0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.85 3fgo h MET 941 CO -0.13 -0.28 0.00 0.66 1.06 0.00 0.00 176.91 178.22 3fgo h SER 942 N -0.43 0.00 0.43 1.22 4.64 -0.90 0.14 113.55 118.65 3fgo h SER 942 Ca 0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.02 3fgo h SER 942 Cb 0.41 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3fgo h SER 942 CO -0.06 0.00 -1.53 -0.07 -0.87 0.00 0.00 176.83 174.29 3fgo h LEU 943 N 0.00 0.42 0.49 5.97 3.38 -0.13 -3.17 115.31 122.27 3fgo h LEU 943 Ca 0.00 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.37 3fgo h LEU 943 Cb 0.22 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3fgo h LEU 943 CO 0.00 1.48 -0.27 -0.74 0.09 0.00 0.00 178.44 178.99 3fgo h HIS 944 N 0.07 -0.72 -0.99 1.13 2.76 0.10 -2.28 115.15 115.23 3fgo h HIS 944 Ca -0.25 -0.01 0.23 0.00 -2.20 0.00 0.00 60.37 58.14 3fgo h HIS 944 Cb 2.02 0.25 -0.09 0.00 1.55 0.00 0.00 27.41 31.14 3fgo h HIS 944 CO 0.07 -0.43 0.63 0.74 -1.30 0.00 0.00 177.93 177.64 3fgo h PHE 945 N -0.72 0.79 0.51 5.26 0.04 -1.26 -2.61 116.94 118.94 3fgo h PHE 945 Ca -0.06 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 3fgo h PHE 945 Cb 0.57 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 3fgo h PHE 945 CO -0.07 0.14 -0.30 1.25 -0.60 0.00 0.00 178.31 178.72 3fgo h LEU 946 N 0.53 -0.77 0.00 1.54 5.85 -1.38 -0.95 115.31 120.13 3fgo h LEU 946 Ca 0.56 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.33 3fgo h LEU 946 Cb 1.22 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.47 3fgo h LEU 946 CO -0.31 -0.47 0.00 -0.38 -0.34 0.00 0.00 178.44 176.94 3fgo n ILE 947 N -4.26 0.34 -0.04 4.05 5.41 -1.00 0.11 119.36 123.96 3fgo n ILE 947 Ca -0.09 0.08 -0.02 0.00 1.00 0.00 0.00 62.75 63.72 3fgo n ILE 947 Cb 0.31 -1.04 -0.14 0.00 -0.71 0.00 0.00 39.64 38.06 3fgo n ILE 947 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3fgo n LEU 948 N -1.09 0.23 -3.16 1.39 4.77 -0.78 -3.38 117.00 114.98 3fgo n LEU 948 Ca 0.02 0.10 -0.24 0.00 -0.03 0.00 0.00 56.01 55.86 3fgo n LEU 948 Cb 0.01 0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 3fgo n LEU 948 CO 0.02 0.28 -0.06 -1.22 -1.33 0.00 0.00 177.39 175.07 3fgo n TYR 949 N -2.66 1.98 -3.17 -1.77 4.02 0.29 -4.01 117.16 111.85 3fgo n TYR 949 Ca -0.19 -3.89 0.02 0.00 -0.01 0.00 0.00 57.90 53.83 3fgo n TYR 949 Cb 0.92 -0.46 -0.01 0.00 -0.02 0.00 0.00 39.34 39.78 3fgo n TYR 949 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3fgo s VAL 950 N -2.82 -0.95 0.00 -0.72 1.01 -1.08 -4.85 120.40 110.99 3fgo s VAL 950 Ca 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.37 3fgo s VAL 950 Cb 0.25 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.64 3fgo s VAL 950 CO -0.09 -0.03 0.00 0.47 0.00 0.00 0.00 175.10 175.45 3fgo n ASP 951 N 5.41 0.00 0.18 3.32 9.92 -1.26 -0.07 116.55 134.05 3fgo n ASP 951 Ca 0.03 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.22 3fgo n ASP 951 Cb 0.53 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.97 3fgo n ASP 951 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 3fgo h PRO 952 N 0.00 -0.45 -0.45 -0.24 0.11 -1.99 -3.37 132.00 125.61 3fgo h PRO 952 Ca 0.00 0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.21 3fgo h PRO 952 Cb 0.00 0.10 -0.07 0.00 0.11 0.00 0.00 31.00 31.14 3fgo h PRO 952 CO 0.00 -0.30 -0.16 1.28 -0.21 0.00 0.00 178.00 178.61 3fgo n LEU 953 N -3.53 -0.27 0.27 2.35 4.77 0.89 -0.36 117.00 121.12 3fgo n LEU 953 Ca -0.06 0.78 0.17 0.00 -0.03 0.00 0.00 56.01 56.87 3fgo n LEU 953 Cb 0.18 -0.19 0.75 0.00 -2.33 0.00 0.00 43.42 41.83 3fgo n LEU 953 CO 0.14 -0.71 1.01 -0.65 -1.33 0.00 0.00 177.39 175.85 3fgo h PRO 954 N 0.00 0.00 0.21 3.23 0.11 -1.63 -2.28 132.00 131.64 3fgo h PRO 954 Ca 0.16 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.94 3fgo h PRO 954 Cb 0.28 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.41 3fgo h PRO 954 CO -0.45 0.00 -1.58 1.98 -0.21 0.00 0.00 178.00 177.74 3fgo h MET 955 N 0.00 0.44 0.00 1.05 1.85 -0.89 0.21 114.93 117.59 3fgo h MET 955 Ca 0.00 -0.75 -0.01 0.00 -0.61 0.00 0.00 59.70 58.33 3fgo h MET 955 Cb 0.41 0.28 -0.00 0.00 0.43 0.00 0.00 31.60 32.72 3fgo h MET 955 CO 0.00 1.35 -0.03 -0.84 -0.40 0.00 0.00 176.91 176.99 3fgo h ILE 956 N 0.12 0.08 -0.01 1.77 3.07 -1.50 -3.19 117.51 117.86 3fgo h ILE 956 Ca -0.28 -0.63 0.00 0.00 1.55 0.00 0.00 64.86 65.50 3fgo h ILE 956 Cb 2.12 1.58 0.00 0.00 -0.27 0.00 0.00 36.82 40.25 3fgo h ILE 956 CO 0.22 0.03 -0.03 0.49 -1.05 0.00 0.00 178.15 177.81 3fgo n PHE 957 N -3.13 0.00 -3.66 0.16 3.01 -0.87 -4.94 117.46 108.03 3fgo n PHE 957 Ca 0.01 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.18 3fgo n PHE 957 Cb 0.34 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.85 3fgo n PHE 957 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3fgo n LYS 958 N 0.09 -1.71 -4.27 -1.08 5.02 -0.07 -4.79 118.16 111.34 3fgo n LYS 958 Ca 0.03 0.51 -0.23 0.00 -2.02 0.00 0.00 58.31 56.59 3fgo n LYS 958 Cb 0.12 -4.40 -0.12 0.00 -0.02 0.00 0.00 35.03 30.61 3fgo n LYS 958 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fgo s LEU 959 N -6.41 2.29 -0.10 -0.35 1.43 0.54 -4.57 118.68 111.53 3fgo s LEU 959 Ca 0.41 -0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 52.81 3fgo s LEU 959 Cb -0.14 -0.83 0.04 0.00 0.03 0.00 0.00 46.19 45.30 3fgo s LEU 959 CO 0.85 0.04 0.04 -0.75 0.23 0.00 0.00 176.35 176.76 3fgo s LYS 960 N -1.87 0.29 0.71 1.70 2.20 -1.25 -4.60 119.74 116.93 3fgo s LYS 960 Ca 0.05 0.09 -0.15 0.00 -0.36 0.00 0.00 55.97 55.60 3fgo s LYS 960 Cb -0.10 -1.14 -0.12 0.00 -1.51 0.00 0.00 37.83 34.96 3fgo s LYS 960 CO 0.04 -0.43 -0.74 0.00 -0.36 0.00 0.00 175.35 173.86 3fgo n ALA 961 N 5.21 -4.50 -2.53 3.13 0.00 -1.26 -4.38 120.51 116.18 3fgo n ALA 961 Ca -0.06 -0.65 -0.33 0.00 0.00 0.00 0.00 53.44 52.40 3fgo n ALA 961 Cb 0.49 -0.74 -0.13 0.00 0.00 0.00 0.00 19.45 19.08 3fgo n ALA 961 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fgo s LEU 962 N 5.71 2.86 1.16 0.00 1.43 -1.26 -4.93 118.68 123.64 3fgo s LEU 962 Ca 0.28 -0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 53.08 3fgo s LEU 962 Cb -0.07 -1.60 0.27 0.00 0.03 0.00 0.00 46.19 44.83 3fgo s LEU 962 CO 0.55 0.34 1.04 -0.62 0.23 0.00 0.00 176.35 177.90 3fgo s ASP 963 N -0.71 1.12 0.00 2.29 2.15 -1.26 -4.81 116.67 115.44 3fgo s ASP 963 Ca 0.11 1.23 0.21 0.00 0.43 0.00 0.00 52.55 54.53 3fgo s ASP 963 Cb -0.11 -1.90 1.02 0.00 -0.30 0.00 0.00 42.92 41.64 3fgo s ASP 963 CO 0.01 -4.07 1.68 0.18 -0.17 0.00 0.00 175.17 172.79 3fgo n LEU 964 N -4.80 0.00 -0.01 -1.34 7.99 -1.26 -1.73 117.00 115.85 3fgo n LEU 964 Ca 0.05 0.35 0.02 0.00 -0.01 0.00 0.00 56.01 56.42 3fgo n LEU 964 Cb 0.56 -0.35 -0.13 0.00 -0.11 0.00 0.00 43.42 43.40 3fgo n LEU 964 CO 0.55 -0.10 -0.66 0.41 -1.51 0.00 0.00 177.39 176.08 3fgo n THR 965 N -1.35 0.82 0.79 -5.08 -1.04 -1.26 -2.80 114.28 104.36 3fgo n THR 965 Ca 0.09 -0.67 0.13 0.00 -2.04 0.00 0.00 64.05 61.56 3fgo n THR 965 Cb 0.19 -0.40 0.51 0.00 -1.82 0.00 0.00 70.33 68.81 3fgo n THR 965 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fgo n GLN 966 N -2.63 0.10 -0.09 -2.82 1.13 -0.70 -2.42 117.38 109.94 3fgo n GLN 966 Ca -0.14 0.12 -0.11 0.00 -1.94 0.00 0.00 57.00 54.94 3fgo n GLN 966 Cb 0.82 -1.62 -0.13 0.00 0.11 0.00 0.00 30.24 29.42 3fgo n GLN 966 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 3fgo n TRP 967 N -1.80 0.00 0.01 1.08 7.02 -0.84 -3.31 117.44 119.61 3fgo n TRP 967 Ca 0.06 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.55 3fgo n TRP 967 Cb 0.34 -0.86 0.35 0.00 -2.42 0.00 0.00 31.31 28.73 3fgo n TRP 967 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 3fgo h LEU 968 N 0.00 0.46 -0.55 -0.99 5.85 -1.58 0.25 115.31 118.75 3fgo h LEU 968 Ca -0.48 -0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.02 3fgo h LEU 968 Cb 1.97 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.87 3fgo h LEU 968 CO -0.01 0.47 -0.70 -0.03 -0.34 0.00 0.00 178.44 177.83 3fgo h MET 969 N 0.49 0.17 -0.05 1.25 4.05 -1.64 -2.00 114.93 117.20 3fgo h MET 969 Ca 0.12 -0.14 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 3fgo h MET 969 Cb 0.19 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.02 3fgo h MET 969 CO -0.00 0.80 -0.07 0.28 0.23 0.00 0.00 176.91 178.14 3fgo h VAL 970 N 0.12 1.40 -0.15 -5.77 2.07 -1.38 -3.00 116.25 109.53 3fgo h VAL 970 Ca -0.02 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 3fgo h VAL 970 Cb 1.24 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 33.15 3fgo h VAL 970 CO 0.10 0.36 0.06 -0.07 0.02 0.00 0.00 177.57 178.04 3fgo h LEU 971 N -0.33 0.21 0.00 2.57 3.38 -1.00 -1.01 115.31 119.13 3fgo h LEU 971 Ca 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3fgo h LEU 971 Cb 0.62 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3fgo h LEU 971 CO 0.02 0.33 0.00 0.29 0.09 0.00 0.00 178.44 179.17 3fgo n LYS 972 N -4.87 0.38 -0.01 1.13 4.76 -0.75 -1.12 118.16 117.68 3fgo n LYS 972 Ca -0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 3fgo n LYS 972 Cb 0.12 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 3fgo n LYS 972 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 3fgo n ILE 973 N -1.00 0.69 0.03 -0.18 3.06 -0.70 -4.83 119.36 116.43 3fgo n ILE 973 Ca 0.09 -0.70 0.00 0.00 -2.50 0.00 0.00 62.75 59.64 3fgo n ILE 973 Cb 0.04 0.64 0.00 0.00 0.54 0.00 0.00 39.64 40.86 3fgo n ILE 973 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 3fgo n SER 974 N -0.36 0.14 -0.30 9.51 7.64 -0.47 -4.87 113.62 124.91 3fgo n SER 974 Ca 0.00 0.08 0.14 0.00 1.01 0.00 0.00 58.87 60.11 3fgo n SER 974 Cb 0.35 0.00 0.32 0.00 -1.01 0.00 0.00 64.21 63.87 3fgo n SER 974 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3fgo h LEU 975 N 0.00 0.12 -1.29 -3.43 -0.00 -1.36 0.44 115.31 109.79 3fgo h LEU 975 Ca 0.00 0.19 0.11 0.00 -0.00 0.00 0.00 57.88 58.18 3fgo h LEU 975 Cb 0.40 0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 41.27 3fgo h LEU 975 CO 0.00 -0.13 0.75 -0.65 -0.00 0.00 0.00 178.44 178.42 3fgo h PRO 976 N 0.26 0.00 -0.69 1.13 0.11 -1.88 0.19 132.00 131.12 3fgo h PRO 976 Ca 0.58 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.80 3fgo h PRO 976 Cb 1.18 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 3fgo h PRO 976 CO -0.63 0.00 0.46 -0.24 -0.21 0.00 0.00 178.00 177.38 3fgo h VAL 977 N 0.00 0.88 0.84 3.15 3.04 -1.26 -1.15 116.25 121.75 3fgo h VAL 977 Ca 0.18 -0.17 -0.04 0.00 -1.01 0.00 0.00 66.70 65.67 3fgo h VAL 977 Cb 1.69 0.35 0.01 0.00 -2.01 0.00 0.00 31.29 31.32 3fgo h VAL 977 CO -0.00 0.09 -0.41 0.40 -1.01 0.00 0.00 177.57 176.63 3fgo h ILE 978 N 0.49 0.00 -0.72 3.17 2.04 -0.82 -2.51 117.51 119.16 3fgo h ILE 978 Ca 0.33 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.36 3fgo h ILE 978 Cb 0.61 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 3fgo h ILE 978 CO -0.10 0.00 0.50 1.23 0.00 0.00 0.00 178.15 179.77 3fgo h GLY 979 N -1.14 0.37 0.64 5.37 0.00 -1.61 0.58 103.07 107.28 3fgo h GLY 979 Ca -0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 3fgo h GLY 979 CO 0.18 0.02 -0.31 -2.00 0.00 0.00 0.00 176.54 174.43 3fgo h LEU 980 N 0.20 -0.73 -1.03 3.11 5.85 -1.01 -1.64 115.31 120.05 3fgo h LEU 980 Ca 0.35 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 59.03 3fgo h LEU 980 Cb 1.08 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 3fgo h LEU 980 CO -0.07 -0.50 0.00 -0.78 -0.34 0.00 0.00 178.44 176.75 3fgo h ASP 981 N -0.91 0.66 -0.42 1.25 3.58 -1.11 -2.11 116.42 117.36 3fgo h ASP 981 Ca -0.09 -0.15 0.10 0.00 0.42 0.00 0.00 57.03 57.31 3fgo h ASP 981 Cb 0.66 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 3fgo h ASP 981 CO 0.14 0.73 0.29 -0.08 -2.88 0.00 0.00 179.24 177.44 3fgo h GLU 982 N 0.66 0.12 0.00 0.28 4.57 0.25 0.53 114.58 120.99 3fgo h GLU 982 Ca 0.13 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 3fgo h GLU 982 Cb 0.40 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.97 3fgo h GLU 982 CO 0.02 0.08 -0.90 0.82 -1.18 0.00 0.00 179.01 177.84 3fgo h ILE 983 N 0.12 0.03 0.00 2.32 1.08 -0.90 -3.02 117.51 117.14 3fgo h ILE 983 Ca 0.19 -1.06 0.00 0.00 -0.39 0.00 0.00 64.86 63.60 3fgo h ILE 983 Cb 0.61 1.60 0.00 0.00 -3.07 0.00 0.00 36.82 35.96 3fgo h ILE 983 CO -0.02 0.02 0.00 -0.07 -0.69 0.00 0.00 178.15 177.39 3fgo h LEU 984 N 0.00 0.00 0.14 1.44 3.38 0.62 -1.69 115.31 119.21 3fgo h LEU 984 Ca -0.01 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.62 3fgo h LEU 984 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3fgo h LEU 984 CO 0.00 0.00 -1.76 0.11 0.09 0.00 0.00 178.44 176.89 3fgo h LYS 985 N 0.00 0.30 0.00 1.13 1.57 -0.93 -3.31 116.57 115.33 3fgo h LYS 985 Ca 0.00 -0.51 -0.04 0.00 -1.87 0.00 0.00 60.65 58.23 3fgo h LYS 985 Cb 0.47 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 3fgo h LYS 985 CO 0.00 1.18 -0.19 0.35 -0.57 0.00 0.00 179.45 180.23 3fgo h PHE 986 N 0.08 0.00 -2.10 -1.35 3.04 -1.40 -1.87 116.94 113.34 3fgo h PHE 986 Ca -0.33 0.00 -0.77 0.00 3.98 0.00 0.00 57.97 60.85 3fgo h PHE 986 Cb 2.06 0.00 -0.29 0.00 2.56 0.00 0.00 35.95 40.28 3fgo h PHE 986 CO 0.08 0.19 0.86 1.51 -2.02 0.00 0.00 178.31 178.93 3fgo n ILE 987 N -3.54 4.66 0.00 1.41 3.06 -0.65 -4.09 119.36 120.21 3fgo n ILE 987 Ca -0.01 -5.18 0.00 0.00 -2.50 0.00 0.00 62.75 55.06 3fgo n ILE 987 Cb 0.34 -1.39 0.00 0.00 0.54 0.00 0.00 39.64 39.12 3fgo n ILE 987 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3fgo n ALA 988 N -0.30 0.00 1.18 1.51 0.00 -1.13 -4.62 120.51 117.15 3fgo n ALA 988 Ca 0.49 0.00 0.13 0.00 0.00 0.00 0.00 53.44 54.06 3fgo n ALA 988 Cb 0.28 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.11 3fgo n ALA 988 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3fgo n ARG 989 N -0.09 0.53 0.12 0.00 0.63 -0.72 -3.22 116.66 113.91 3fgo n ARG 989 Ca 0.00 -0.29 0.00 0.00 -0.92 0.00 0.00 57.85 56.64 3fgo n ARG 989 Cb 0.00 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.42 3fgo n ARG 989 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3fgo n ASN 990 N -0.98 0.19 -0.88 6.15 3.02 -1.26 -4.37 115.26 117.14 3fgo n ASN 990 Ca 0.10 0.39 0.12 0.00 -0.03 0.00 0.00 54.58 55.17 3fgo n ASN 990 Cb 0.33 0.20 0.23 0.00 -0.61 0.00 0.00 39.78 39.93 3fgo n ASN 990 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3fgo n TYR 991 N -3.48 0.13 0.00 3.10 4.01 -1.26 -4.29 117.16 115.36 3fgo n TYR 991 Ca 0.00 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 3fgo n TYR 991 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3fgo n TYR 991 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 3fgo n LEU 992 N 1.08 0.00 -2.72 7.72 -0.00 -1.26 -4.93 117.00 116.89 3fgo n LEU 992 Ca 0.16 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 56.13 3fgo n LEU 992 Cb 0.53 -0.25 0.08 0.00 -0.00 0.00 0.00 43.42 43.79 3fgo n LEU 992 CO 0.15 -0.27 0.26 1.21 -0.00 0.00 0.00 177.39 178.73 3fgo n GLU 993 N -2.03 1.35 0.00 1.96 2.13 -1.20 -5.06 120.64 117.80 3fgo n GLU 993 Ca 0.00 -2.44 0.00 0.00 0.66 0.00 0.00 57.16 55.38 3fgo n GLU 993 Cb 0.00 -0.61 0.00 0.00 0.27 0.00 0.00 31.44 31.10 3fgo n GLU 993 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13