#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gff s TYR 11 N 0.00 1.96 -0.18 4.31 -0.85 -1.26 -4.47 117.35 116.87 3gff s TYR 11 Ca 0.00 -0.82 -0.00 0.00 -0.52 0.00 0.00 57.07 55.73 3gff s TYR 11 Cb 0.00 -1.81 0.01 0.00 0.38 0.00 0.00 41.96 40.54 3gff s TYR 11 CO 0.00 -0.03 -0.16 -1.14 -1.52 0.00 0.00 175.55 172.70 3gff s GLN 12 N -4.03 3.13 -0.21 -3.49 0.74 0.31 -4.93 119.66 111.18 3gff s GLN 12 Ca 0.25 -0.77 -0.25 0.00 0.05 0.00 0.00 55.36 54.64 3gff s GLN 12 Cb 0.01 -2.66 -0.01 0.00 1.10 0.00 0.00 33.01 31.45 3gff s GLN 12 CO 0.15 -0.13 0.83 0.45 -0.55 0.00 0.00 175.29 176.03 3gff s SER 13 N 1.16 6.89 0.29 6.67 0.15 -1.26 -1.59 113.70 126.01 3gff s SER 13 Ca 0.01 1.10 0.11 0.00 0.70 0.00 0.00 55.95 57.88 3gff s SER 13 Cb -0.14 -2.44 -0.05 0.00 -1.71 0.00 0.00 66.02 61.67 3gff s SER 13 CO -0.07 -0.46 -0.16 -0.54 1.20 0.00 0.00 173.24 173.22 3gff s LYS 14 N 2.49 1.79 0.01 5.44 3.01 0.75 -5.02 119.74 128.20 3gff s LYS 14 Ca 0.37 -1.75 0.00 0.00 -1.01 0.00 0.00 55.97 53.58 3gff s LYS 14 Cb -0.16 -1.82 -0.01 0.00 -1.01 0.00 0.00 37.83 34.84 3gff s LYS 14 CO 0.10 0.30 -0.01 1.03 0.51 0.00 0.00 175.35 177.28 3gff s ARG 15 N -3.55 0.12 -0.03 1.68 0.52 -1.26 -1.90 118.95 114.52 3gff s ARG 15 Ca 0.31 -0.20 0.00 0.00 -0.52 0.00 0.00 55.73 55.32 3gff s ARG 15 Cb -0.04 0.00 0.03 0.00 0.52 0.00 0.00 34.95 35.46 3gff s ARG 15 CO 0.16 -0.01 -0.00 -1.17 0.02 0.00 0.00 175.30 174.30 3gff s LEU 16 N -0.45 1.17 -0.46 2.53 0.20 -0.12 -5.00 118.68 116.54 3gff s LEU 16 Ca -0.05 -0.04 -0.29 0.00 0.69 0.00 0.00 54.13 54.44 3gff s LEU 16 Cb -0.03 -0.25 0.03 0.00 -0.43 0.00 0.00 46.19 45.50 3gff s LEU 16 CO -0.00 -0.10 1.16 -1.61 -0.29 0.00 0.00 176.35 175.51 3gff s GLU 17 N 1.03 3.74 -0.43 1.98 0.41 -1.26 -0.34 118.70 123.82 3gff s GLU 17 Ca -0.10 0.63 -0.26 0.00 -0.41 0.00 0.00 54.97 54.84 3gff s GLU 17 Cb -0.14 -3.91 0.02 0.00 -1.78 0.00 0.00 34.13 28.33 3gff s GLU 17 CO -0.02 -1.37 0.96 0.45 -0.49 0.00 0.00 175.26 174.80 3gff s SER 18 N 2.53 6.58 0.16 -0.19 0.15 0.79 -4.90 113.70 118.84 3gff s SER 18 Ca 0.49 0.34 -0.10 0.00 0.70 0.00 0.00 55.95 57.38 3gff s SER 18 Cb -0.08 -2.47 0.02 0.00 -1.71 0.00 0.00 66.02 61.78 3gff s SER 18 CO 0.31 -1.02 1.56 0.03 1.20 0.00 0.00 173.24 175.33 3gff h ARG 19 N 8.89 1.01 0.17 5.44 2.47 -1.94 0.62 114.38 131.05 3gff h ARG 19 Ca -0.24 -0.42 -0.01 0.00 -1.26 0.00 0.00 59.98 58.06 3gff h ARG 19 Cb 1.07 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.35 3gff h ARG 19 CO 1.03 1.10 -0.08 -0.07 0.56 0.00 0.00 179.97 182.51 3gff h LEU 20 N 0.88 -0.19 -0.06 3.04 3.38 -1.95 -3.18 115.31 117.22 3gff h LEU 20 Ca 0.12 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3gff h LEU 20 Cb 0.77 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3gff h LEU 20 CO 0.06 -0.09 -0.22 0.18 0.09 0.00 0.00 178.44 178.46 3gff n LEU 21 N -5.16 0.32 -3.69 1.67 4.77 -1.24 -4.96 117.00 108.70 3gff n LEU 21 Ca -0.09 0.18 -0.25 0.00 -0.03 0.00 0.00 56.01 55.82 3gff n LEU 21 Cb 0.13 -0.33 0.06 0.00 -2.33 0.00 0.00 43.42 40.96 3gff n LEU 21 CO 0.34 0.07 0.19 1.17 -1.33 0.00 0.00 177.39 177.83 3gff n LYS 22 N -1.37 -7.08 -3.84 3.23 4.81 0.17 -4.97 118.16 109.11 3gff n LYS 22 Ca 0.08 0.75 -0.08 0.00 -0.87 0.00 0.00 58.31 58.19 3gff n LYS 22 Cb 0.32 -5.75 -0.03 0.00 0.02 0.00 0.00 35.03 29.60 3gff n LYS 22 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3gff s GLU 23 N -6.35 1.60 0.04 1.64 -1.05 -0.98 -5.01 118.70 108.59 3gff s GLU 23 Ca 0.56 -1.00 -0.28 0.00 -0.15 0.00 0.00 54.97 54.11 3gff s GLU 23 Cb -0.26 0.55 -0.05 0.00 -0.44 0.00 0.00 34.13 33.93 3gff s GLU 23 CO 0.76 -0.70 0.87 0.99 0.95 0.00 0.00 175.26 178.13 3gff s THR 24 N -3.93 4.72 -0.12 1.83 2.01 -1.26 -0.14 115.64 118.75 3gff s THR 24 Ca 0.13 1.86 0.01 0.00 0.31 0.00 0.00 61.69 64.00 3gff s THR 24 Cb -0.03 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 3gff s THR 24 CO 0.04 0.29 -0.17 -0.13 -0.69 0.00 0.00 174.62 173.96 3gff s ARG 25 N 0.31 3.24 0.06 4.92 1.81 0.54 -4.90 118.95 124.92 3gff s ARG 25 Ca 0.44 -0.76 0.01 0.00 -1.72 0.00 0.00 55.73 53.71 3gff s ARG 25 Cb -0.21 -2.50 -0.04 0.00 -0.45 0.00 0.00 34.95 31.75 3gff s ARG 25 CO 0.26 0.21 0.12 -1.21 -0.68 0.00 0.00 175.30 174.00 3gff s GLU 26 N 0.32 3.09 0.18 3.54 2.02 -1.26 -0.95 118.70 125.64 3gff s GLU 26 Ca -0.13 -0.57 -0.20 0.00 0.02 0.00 0.00 54.97 54.09 3gff s GLU 26 Cb -0.17 -2.85 0.04 0.00 0.10 0.00 0.00 34.13 31.26 3gff s GLU 26 CO 0.07 0.60 0.56 1.52 0.02 0.00 0.00 175.26 178.02 3gff s TYR 27 N -1.39 -0.30 0.02 1.61 1.13 -0.80 -2.01 117.35 115.61 3gff s TYR 27 Ca 0.30 -0.01 0.07 0.00 -1.41 0.00 0.00 57.07 56.02 3gff s TYR 27 Cb -0.12 0.47 -0.02 0.00 -1.10 0.00 0.00 41.96 41.19 3gff s TYR 27 CO 0.22 -0.90 -0.20 0.14 -2.51 0.00 0.00 175.55 172.30 3gff s VAL 28 N -3.82 1.63 -0.07 -3.49 -7.23 -0.32 -0.18 120.40 106.92 3gff s VAL 28 Ca 0.05 -1.06 0.05 0.00 -1.81 0.00 0.00 61.98 59.21 3gff s VAL 28 Cb -0.01 -1.39 -0.00 0.00 0.56 0.00 0.00 36.38 35.53 3gff s VAL 28 CO -0.07 0.30 -0.23 -0.63 -0.31 0.00 0.00 175.10 174.16 3gff s ILE 29 N -0.67 1.91 -0.16 -0.62 1.01 -0.62 -0.63 121.20 121.41 3gff s ILE 29 Ca 0.07 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3gff s ILE 29 Cb -0.08 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.75 3gff s ILE 29 CO 0.01 0.53 -0.16 0.00 0.00 0.00 0.00 174.94 175.31 3gff s ALA 30 N 0.11 2.45 0.10 9.38 0.00 0.12 -0.53 121.76 133.38 3gff s ALA 30 Ca -0.10 -1.10 -0.11 0.00 0.00 0.00 0.00 51.96 50.65 3gff s ALA 30 Cb -0.15 -1.22 -0.06 0.00 0.00 0.00 0.00 23.12 21.69 3gff s ALA 30 CO 0.05 -0.13 0.43 -0.51 0.00 0.00 0.00 175.76 175.61 3gff s LEU 31 N 0.97 4.34 0.70 0.00 1.43 -1.26 -1.18 118.68 123.68 3gff s LEU 31 Ca -0.03 0.85 -0.14 0.00 -1.03 0.00 0.00 54.13 53.78 3gff s LEU 31 Cb -0.15 -3.06 0.02 0.00 0.03 0.00 0.00 46.19 43.03 3gff s LEU 31 CO -0.03 0.15 1.13 -2.16 0.23 0.00 0.00 176.35 175.66 3gff s PRO 32 N -1.96 2.52 0.35 1.29 0.04 -1.22 -4.92 135.00 131.09 3gff s PRO 32 Ca 0.34 1.43 -0.27 0.00 0.04 0.00 0.00 61.00 62.54 3gff s PRO 32 Cb -0.14 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 3gff s PRO 32 CO 0.18 -1.48 1.21 -1.83 0.04 0.00 0.00 177.00 175.12 3gff s GLU 33 N -4.20 4.29 0.00 4.56 -1.05 -1.26 -1.85 118.70 119.19 3gff s GLU 33 Ca 0.67 1.98 0.00 0.00 -0.15 0.00 0.00 54.97 57.47 3gff s GLU 33 Cb -0.22 -2.94 0.00 0.00 -0.44 0.00 0.00 34.13 30.54 3gff s GLU 33 CO 0.45 -0.16 0.00 0.41 0.95 0.00 0.00 175.26 176.91 3gff n GLY 34 N 0.82 1.29 0.41 -3.83 0.00 -1.26 -4.98 105.19 97.64 3gff n GLY 34 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 3gff n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3gff h TYR 35 N 0.00 -1.46 0.00 1.61 3.20 -1.72 -0.15 116.97 118.44 3gff h TYR 35 Ca 0.00 0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3gff h TYR 35 Cb 0.00 0.74 0.00 0.00 1.54 0.00 0.00 36.73 39.01 3gff h TYR 35 CO 0.00 -0.42 0.00 0.00 -1.64 0.00 0.00 178.16 176.10 3gff n ALA 36 N -3.21 1.29 1.27 1.82 0.00 -1.26 -3.58 120.51 116.84 3gff n ALA 36 Ca 0.02 0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.60 3gff n ALA 36 Cb 0.33 -1.15 0.38 0.00 0.00 0.00 0.00 19.45 19.02 3gff n ALA 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3gff n GLN 37 N -1.65 1.89 -2.22 0.00 6.02 -0.07 -4.96 117.38 116.39 3gff n GLN 37 Ca 0.01 -1.30 -0.04 0.00 -0.01 0.00 0.00 57.00 55.66 3gff n GLN 37 Cb 0.08 -1.47 0.01 0.00 1.02 0.00 0.00 30.24 29.88 3gff n GLN 37 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3gff n SER 38 N 0.56 -0.85 -1.50 1.08 3.41 -1.23 -5.02 113.62 110.07 3gff n SER 38 Ca 0.17 -1.68 0.09 0.00 -0.26 0.00 0.00 58.87 57.20 3gff n SER 38 Cb 0.43 1.44 0.33 0.00 -0.26 0.00 0.00 64.21 66.15 3gff n SER 38 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gff n LEU 39 N 0.00 4.43 -4.77 1.04 4.77 -1.26 -5.00 117.00 116.21 3gff n LEU 39 Ca -0.03 -2.24 -0.40 0.00 -0.03 0.00 0.00 56.01 53.32 3gff n LEU 39 Cb 0.24 -0.56 -0.00 0.00 -2.33 0.00 0.00 43.42 40.77 3gff n LEU 39 CO 0.11 0.76 1.00 -0.70 -1.33 0.00 0.00 177.39 177.24 3gff s GLU 40 N -1.80 4.04 -0.09 3.23 2.12 -1.26 -5.01 118.70 119.93 3gff s GLU 40 Ca 0.48 2.26 -0.02 0.00 0.36 0.00 0.00 54.97 58.05 3gff s GLU 40 Cb 0.30 -2.84 -0.03 0.00 0.26 0.00 0.00 34.13 31.82 3gff s GLU 40 CO 0.23 -0.47 0.00 0.00 -0.54 0.00 0.00 175.26 174.48 3gff s ALA 41 N -1.21 3.29 0.24 6.30 0.00 -1.26 -4.84 121.76 124.29 3gff s ALA 41 Ca 0.55 -0.80 0.11 0.00 0.00 0.00 0.00 51.96 51.82 3gff s ALA 41 Cb -0.40 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.18 3gff s ALA 41 CO 0.53 0.58 -0.14 0.71 0.00 0.00 0.00 175.76 177.43 3gff s TYR 42 N -0.86 2.45 0.91 0.00 2.02 -0.47 -4.55 117.35 116.85 3gff s TYR 42 Ca 0.13 -0.29 -0.12 0.00 -0.37 0.00 0.00 57.07 56.42 3gff s TYR 42 Cb -0.11 -1.12 0.14 0.00 -0.40 0.00 0.00 41.96 40.47 3gff s TYR 42 CO 0.02 0.62 1.09 -1.25 -1.57 0.00 0.00 175.55 174.47 3gff s PRO 43 N -3.28 1.15 -0.12 -1.71 0.04 -1.26 -0.59 135.00 129.23 3gff s PRO 43 Ca 0.28 0.71 0.02 0.00 0.04 0.00 0.00 61.00 62.05 3gff s PRO 43 Cb -0.06 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.68 3gff s PRO 43 CO 0.15 -2.28 -0.18 0.08 0.04 0.00 0.00 177.00 174.81 3gff s VAL 44 N -2.98 1.70 -0.36 -0.36 1.01 -0.37 -1.09 120.40 117.95 3gff s VAL 44 Ca 0.64 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 3gff s VAL 44 Cb -0.18 -1.54 0.03 0.00 0.00 0.00 0.00 36.38 34.70 3gff s VAL 44 CO 0.57 0.48 0.17 -0.69 0.00 0.00 0.00 175.10 175.63 3gff s VAL 45 N 0.96 4.35 -0.24 2.92 1.01 0.51 -1.04 120.40 128.86 3gff s VAL 45 Ca -0.06 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 60.83 3gff s VAL 45 Cb -0.15 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 3gff s VAL 45 CO -0.02 -0.19 0.58 -0.31 0.00 0.00 0.00 175.10 175.16 3gff s TYR 46 N 1.52 3.30 -0.23 5.22 1.51 0.29 -0.71 117.35 128.24 3gff s TYR 46 Ca 0.01 0.77 -0.06 0.00 -1.01 0.00 0.00 57.07 56.78 3gff s TYR 46 Cb -0.19 -2.78 -0.03 0.00 -0.11 0.00 0.00 41.96 38.85 3gff s TYR 46 CO 0.05 -0.27 0.04 -0.51 -1.11 0.00 0.00 175.55 173.76 3gff s LEU 47 N 2.28 3.35 0.80 -1.29 1.43 0.17 -1.11 118.68 124.31 3gff s LEU 47 Ca 0.25 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.01 3gff s LEU 47 Cb -0.16 -1.88 0.07 0.00 0.03 0.00 0.00 46.19 44.25 3gff s LEU 47 CO 0.09 -0.00 1.14 -0.76 0.23 0.00 0.00 176.35 177.05 3gff s LEU 48 N 1.42 2.54 -1.45 1.79 1.43 -0.79 -0.72 118.68 122.91 3gff s LEU 48 Ca 0.05 0.97 -0.08 0.00 -1.03 0.00 0.00 54.13 54.04 3gff s LEU 48 Cb -0.15 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.59 3gff s LEU 48 CO 0.02 -1.87 0.87 0.47 0.23 0.00 0.00 176.35 176.07 3gff n ASP 49 N -3.32 -3.38 -0.09 2.29 8.00 -1.23 -4.75 116.55 114.07 3gff n ASP 49 Ca 0.07 -0.80 0.12 0.00 0.71 0.00 0.00 54.79 54.89 3gff n ASP 49 Cb 0.59 -3.92 0.50 0.00 -0.02 0.00 0.00 41.12 38.26 3gff n ASP 49 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3gff h GLY 50 N -2.01 0.59 1.49 0.44 0.00 -1.08 0.06 103.07 102.56 3gff h GLY 50 Ca -0.59 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.57 3gff h GLY 50 CO 0.63 0.10 0.33 0.83 0.00 0.00 0.00 176.54 178.44 3gff h GLU 51 N 0.42 0.68 0.00 4.80 3.07 -1.90 -2.48 114.58 119.17 3gff h GLU 51 Ca 0.28 -0.05 -0.27 0.00 -0.50 0.00 0.00 59.36 58.82 3gff h GLU 51 Cb 0.55 -0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 28.25 3gff h GLU 51 CO -0.08 0.46 -2.03 -0.25 -1.40 0.00 0.00 179.01 175.71 3gff n ASP 52 N -4.45 1.77 -0.01 1.42 8.00 -0.89 -4.77 116.55 117.63 3gff n ASP 52 Ca 0.05 -0.04 0.09 0.00 0.71 0.00 0.00 54.79 55.61 3gff n ASP 52 Cb 0.06 0.46 -0.14 0.00 -0.02 0.00 0.00 41.12 41.48 3gff n ASP 52 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gff n GLN 53 N -2.72 0.65 0.10 -1.24 1.13 -0.04 -4.70 117.38 110.56 3gff n GLN 53 Ca -0.27 -0.13 -0.13 0.00 -1.94 0.00 0.00 57.00 54.53 3gff n GLN 53 Cb 0.94 -1.44 -0.07 0.00 0.11 0.00 0.00 30.24 29.78 3gff n GLN 53 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 3gff h PHE 54 N 0.00 -0.18 -0.24 1.08 3.57 -1.62 -3.24 116.94 116.31 3gff h PHE 54 Ca 0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 3gff h PHE 54 Cb 0.76 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.49 3gff h PHE 54 CO 0.00 -0.11 -0.30 -0.44 -2.23 0.00 0.00 178.31 175.23 3gff h ASP 55 N -0.18 -0.95 0.00 0.41 5.19 -1.84 0.54 116.42 119.58 3gff h ASP 55 Ca -0.01 0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 3gff h ASP 55 Cb 0.15 0.43 0.00 0.00 0.18 0.00 0.00 39.33 40.09 3gff h ASP 55 CO 0.02 -0.32 0.00 0.00 -3.12 0.00 0.00 179.24 175.81 3gff n HIS 56 N -5.40 0.00 0.00 4.55 1.44 -1.22 -2.11 115.22 112.47 3gff n HIS 56 Ca -0.01 -0.25 0.00 0.00 -2.01 0.00 0.00 57.72 55.44 3gff n HIS 56 Cb 0.32 -0.17 0.00 0.00 0.12 0.00 0.00 29.99 30.26 3gff n HIS 56 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3gff n ALA 58 N 0.42 0.00 -0.03 1.59 0.00 0.19 -2.08 120.51 120.60 3gff n ALA 58 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 3gff n ALA 58 Cb 0.33 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.99 3gff n ALA 58 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gff h SER 59 N 0.00 0.59 0.05 0.00 4.64 -1.62 -1.24 113.55 115.96 3gff h SER 59 Ca 0.00 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3gff h SER 59 Cb 0.00 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 3gff h SER 59 CO 0.00 0.72 -0.02 0.25 -0.87 0.00 0.00 176.83 176.91 3gff h LEU 60 N 0.56 -0.05 -0.44 5.97 5.85 -1.69 -1.08 115.31 124.44 3gff h LEU 60 Ca 0.10 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.52 3gff h LEU 60 Cb 0.50 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 3gff h LEU 60 CO 0.03 0.35 0.12 -0.07 -0.34 0.00 0.00 178.44 178.52 3gff h LEU 61 N -0.46 0.07 -0.83 2.25 3.38 -1.79 0.14 115.31 118.08 3gff h LEU 61 Ca -0.01 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3gff h LEU 61 Cb 0.42 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3gff h LEU 61 CO 0.01 0.07 0.09 1.56 0.09 0.00 0.00 178.44 180.26 3gff h GLN 62 N 0.26 0.96 -0.12 1.13 1.08 -1.28 -2.99 115.11 114.15 3gff h GLN 62 Ca 0.21 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 3gff h GLN 62 Cb 0.24 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 3gff h GLN 62 CO -0.25 0.90 0.06 0.35 -0.95 0.00 0.00 178.83 178.93 3gff h PHE 63 N 0.91 0.18 0.00 2.96 3.57 -0.10 -2.89 116.94 121.57 3gff h PHE 63 Ca 0.18 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3gff h PHE 63 Cb 0.41 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.09 3gff h PHE 63 CO 0.03 0.25 0.00 -0.07 -2.23 0.00 0.00 178.31 176.28 3gff h LEU 64 N 0.06 0.00 -3.03 0.59 3.38 -0.66 -2.83 115.31 112.81 3gff h LEU 64 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3gff h LEU 64 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3gff h LEU 64 CO -0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 3gff n SER 65 N -2.33 2.53 -4.92 -0.43 3.41 -1.10 -0.23 113.62 110.54 3gff n SER 65 Ca -0.01 -2.99 -0.20 0.00 -0.26 0.00 0.00 58.87 55.41 3gff n SER 65 Cb 0.07 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 63.59 3gff n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gff s GLN 66 N -2.72 2.85 0.33 4.33 -2.07 -1.07 -4.74 119.66 116.56 3gff s GLN 66 Ca 0.31 -1.22 0.00 0.00 -1.82 0.00 0.00 55.36 52.63 3gff s GLN 66 Cb 0.27 -2.62 0.00 0.00 -1.09 0.00 0.00 33.01 29.57 3gff s GLN 66 CO 0.04 -0.00 0.00 0.41 -1.32 0.00 0.00 175.29 174.41 3gff n GLY 67 N -1.55 -2.44 1.53 2.60 0.00 -1.26 -4.13 105.19 99.94 3gff n GLY 67 Ca 0.01 -1.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 3gff n GLY 67 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gff n THR 68 N -0.21 2.01 -3.63 2.61 -2.24 -1.26 -5.06 114.28 106.49 3gff n THR 68 Ca 0.00 -0.86 -0.07 0.00 -2.27 0.00 0.00 64.05 60.85 3gff n THR 68 Cb 0.00 -1.02 -0.07 0.00 -2.10 0.00 0.00 70.33 67.14 3gff n THR 68 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3gff s PRO 70 N -1.14 0.32 0.06 -0.78 0.04 -1.26 -4.94 135.00 127.30 3gff s PRO 70 Ca 0.20 0.30 0.12 0.00 0.04 0.00 0.00 61.00 61.66 3gff s PRO 70 Cb 0.16 0.15 -0.18 0.00 0.04 0.00 0.00 34.50 34.68 3gff s PRO 70 CO 0.02 -0.05 0.97 1.96 0.04 0.00 0.00 177.00 179.94 3gff h GLN 71 N 3.43 0.00 -4.97 4.56 1.08 -0.90 -3.46 115.11 114.84 3gff h GLN 71 Ca -0.25 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.63 3gff h GLN 71 Cb 1.18 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.47 3gff h GLN 71 CO 0.17 0.62 -0.68 0.96 -0.95 0.00 0.00 178.83 178.95 3gff s ILE 72 N -2.73 0.95 0.91 2.54 -4.36 -0.64 -4.79 121.20 113.08 3gff s ILE 72 Ca -0.02 -2.02 -0.13 0.00 -0.26 0.00 0.00 60.65 58.22 3gff s ILE 72 Cb 0.09 -2.09 0.14 0.00 1.25 0.00 0.00 42.46 41.85 3gff s ILE 72 CO 0.81 -0.53 1.16 -2.16 0.24 0.00 0.00 174.94 174.47 3gff s PRO 73 N -3.84 1.10 0.31 0.37 0.04 -1.26 -4.24 135.00 127.48 3gff s PRO 73 Ca 0.23 0.16 -0.29 0.00 0.04 0.00 0.00 61.00 61.14 3gff s PRO 73 Cb 0.05 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.64 3gff s PRO 73 CO 0.04 -2.20 1.24 0.15 0.04 0.00 0.00 177.00 176.27 3gff s LYS 74 N -5.41 4.45 0.14 4.56 -0.14 -1.26 -4.78 119.74 117.30 3gff s LYS 74 Ca 0.65 2.07 0.01 0.00 -1.36 0.00 0.00 55.97 57.34 3gff s LYS 74 Cb -0.13 -3.11 -0.04 0.00 -1.68 0.00 0.00 37.83 32.87 3gff s LYS 74 CO 0.53 -0.05 -0.00 0.14 -0.76 0.00 0.00 175.35 175.20 3gff s VAL 75 N -1.12 0.50 -0.21 3.17 -7.23 -1.26 -4.41 120.40 109.83 3gff s VAL 75 Ca 0.48 -1.94 -0.16 0.00 -1.81 0.00 0.00 61.98 58.54 3gff s VAL 75 Cb -0.37 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 3gff s VAL 75 CO 0.49 -0.60 0.42 -0.63 -0.31 0.00 0.00 175.10 174.47 3gff s ILE 76 N -3.77 5.17 -0.24 -0.62 1.01 -0.25 -3.45 121.20 119.05 3gff s ILE 76 Ca 0.20 0.75 -0.08 0.00 0.00 0.00 0.00 60.65 61.52 3gff s ILE 76 Cb 0.06 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 3gff s ILE 76 CO 0.00 0.22 0.09 -0.63 0.00 0.00 0.00 174.94 174.63 3gff s ILE 77 N 1.50 4.63 -0.25 2.92 1.01 -0.32 -0.36 121.20 130.33 3gff s ILE 77 Ca 0.20 -0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.75 3gff s ILE 77 Cb -0.15 -3.16 0.02 0.00 0.01 0.00 0.00 42.46 39.18 3gff s ILE 77 CO 0.08 0.35 -0.05 -0.69 0.00 0.00 0.00 174.94 174.64 3gff s VAL 78 N 1.37 3.04 -0.25 2.92 1.01 0.11 -0.70 120.40 127.90 3gff s VAL 78 Ca 0.06 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 3gff s VAL 78 Cb -0.15 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 3gff s VAL 78 CO 0.05 0.23 0.17 -0.83 0.00 0.00 0.00 175.10 174.72 3gff s GLY 79 N 1.37 1.96 -0.26 4.51 0.00 0.19 0.43 107.32 115.52 3gff s GLY 79 Ca 0.01 -0.96 -0.10 0.00 0.00 0.00 0.00 44.72 43.67 3gff s GLY 79 CO -0.04 0.48 0.16 -0.42 0.00 0.00 0.00 173.10 173.29 3gff s ILE 80 N 1.30 5.20 0.45 0.90 1.01 0.10 -1.18 121.20 128.99 3gff s ILE 80 Ca 0.07 0.13 -0.13 0.00 0.00 0.00 0.00 60.65 60.72 3gff s ILE 80 Cb -0.14 -3.45 -0.07 0.00 0.01 0.00 0.00 42.46 38.80 3gff s ILE 80 CO 0.07 0.29 0.86 -1.00 0.00 0.00 0.00 174.94 175.17 3gff s HIS 81 N 1.50 3.46 0.34 3.97 3.76 -0.85 -0.72 115.29 126.75 3gff s HIS 81 Ca 0.07 1.23 -0.07 0.00 -0.15 0.00 0.00 55.06 56.14 3gff s HIS 81 Cb -0.15 -2.60 -0.06 0.00 1.11 0.00 0.00 32.58 30.89 3gff s HIS 81 CO 0.08 -0.22 0.65 -0.80 -0.85 0.00 0.00 174.74 173.59 3gff s ASN 82 N -3.12 6.47 0.00 1.40 0.01 -1.26 -4.72 114.94 113.71 3gff s ASN 82 Ca 0.55 0.88 0.00 0.00 -0.71 0.00 0.00 52.86 53.58 3gff s ASN 82 Cb -0.10 -2.22 0.00 0.00 0.41 0.00 0.00 41.25 39.34 3gff s ASN 82 CO 0.31 -0.29 0.00 0.35 -1.51 0.00 0.00 177.10 175.96 3gff n THR 83 N -1.14 0.00 -3.40 1.60 -2.24 -1.26 -4.95 114.28 102.88 3gff n THR 83 Ca -0.00 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.33 3gff n THR 83 Cb 0.54 -0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 68.33 3gff n THR 83 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3gff s ASN 84 N 1.00 6.44 0.00 3.42 3.84 -1.26 -5.07 114.94 123.31 3gff s ASN 84 Ca 0.00 -2.67 0.00 0.00 0.21 0.00 0.00 52.86 50.40 3gff s ASN 84 Cb 0.00 -2.14 0.00 0.00 -0.55 0.00 0.00 41.25 38.56 3gff s ASN 84 CO 0.00 -0.55 0.08 -1.14 -2.79 0.00 0.00 177.10 172.70 3gff n ARG 85 N 3.95 0.08 0.00 0.43 0.63 -1.26 -1.46 116.66 119.03 3gff n ARG 85 Ca 0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 3gff n ARG 85 Cb 0.45 -1.45 0.00 0.00 0.45 0.00 0.00 32.46 31.91 3gff n ARG 85 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 3gff n ARG 87 N 0.94 0.00 0.13 -0.14 0.63 -1.26 -1.40 116.66 115.57 3gff n ARG 87 Ca 0.00 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 57.01 3gff n ARG 87 Cb 0.04 0.00 0.04 0.00 0.45 0.00 0.00 32.46 32.99 3gff n ARG 87 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3gff h ASP 88 N 0.00 0.00 -0.03 6.15 3.32 -1.49 0.19 116.42 124.56 3gff h ASP 88 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gff h ASP 88 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3gff h ASP 88 CO 0.00 0.21 -0.04 -1.22 -1.72 0.00 0.00 179.24 176.47 3gff n TYR 89 N -2.96 0.00 -4.07 4.55 4.02 -0.49 -3.49 117.16 114.72 3gff n TYR 89 Ca -0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.54 3gff n TYR 89 Cb 0.64 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.83 3gff n TYR 89 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3gff s THR 90 N -1.98 4.05 -0.07 -0.72 -4.23 -1.26 -4.21 115.64 107.23 3gff s THR 90 Ca 0.26 -0.28 0.13 0.00 -1.18 0.00 0.00 61.69 60.63 3gff s THR 90 Cb 0.19 -2.83 0.01 0.00 1.34 0.00 0.00 72.50 71.21 3gff s THR 90 CO 0.31 0.43 1.43 1.55 -0.54 0.00 0.00 174.62 177.80 3gff h PRO 91 N 7.42 0.00 -5.64 3.99 0.13 -1.88 0.71 132.00 136.73 3gff h PRO 91 Ca -0.36 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.31 3gff h PRO 91 Cb 1.18 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.15 3gff h PRO 91 CO 0.62 0.61 -0.75 0.95 -0.23 0.00 0.00 178.00 179.19 3gff s THR 92 N -2.96 1.70 -0.15 1.56 -4.23 -1.26 -4.69 115.64 105.61 3gff s THR 92 Ca 0.03 -2.07 -0.13 0.00 -1.18 0.00 0.00 61.69 58.33 3gff s THR 92 Cb 0.08 -1.93 -0.05 0.00 1.34 0.00 0.00 72.50 71.95 3gff s THR 92 CO 0.76 -0.50 0.29 -2.28 -0.54 0.00 0.00 174.62 172.34 3gff s HIS 93 N -2.64 3.48 -0.03 3.99 2.46 -1.26 -2.94 115.29 118.36 3gff s HIS 93 Ca 0.19 0.61 -0.28 0.00 0.47 0.00 0.00 55.06 56.05 3gff s HIS 93 Cb -0.02 -2.31 0.06 0.00 -0.13 0.00 0.00 32.58 30.17 3gff s HIS 93 CO 0.06 0.29 0.62 -0.08 -2.47 0.00 0.00 174.74 173.16 3gff s THR 94 N 0.31 0.01 -2.44 0.89 -1.32 -1.26 -4.98 115.64 106.84 3gff s THR 94 Ca 0.17 -0.07 0.21 0.00 -1.21 0.00 0.00 61.69 60.78 3gff s THR 94 Cb -0.13 -0.95 0.28 0.00 -1.51 0.00 0.00 72.50 70.19 3gff s THR 94 CO 0.04 -0.04 1.26 0.18 -2.21 0.00 0.00 174.62 173.85 3gff n LEU 95 N 0.85 3.06 -4.31 9.08 4.77 -1.26 -4.63 117.00 124.55 3gff n LEU 95 Ca -0.19 -1.27 -0.20 0.00 -0.03 0.00 0.00 56.01 54.32 3gff n LEU 95 Cb 0.58 -0.12 -0.11 0.00 -2.33 0.00 0.00 43.42 41.44 3gff n LEU 95 CO 0.23 0.60 -0.46 0.68 -1.33 0.00 0.00 177.39 177.11 3gff s VAL 96 N -1.58 1.67 0.75 4.08 -7.23 -1.26 -0.76 120.40 116.07 3gff s VAL 96 Ca 0.30 -1.96 -0.10 0.00 -1.81 0.00 0.00 61.98 58.41 3gff s VAL 96 Cb 0.19 -1.83 0.06 0.00 0.56 0.00 0.00 36.38 35.36 3gff s VAL 96 CO 0.28 -0.42 1.11 -0.76 -0.31 0.00 0.00 175.10 174.99 3gff s LEU 97 N -2.81 2.71 0.59 1.32 1.43 0.37 -4.70 118.68 117.59 3gff s LEU 97 Ca 0.16 0.80 0.29 0.00 -1.03 0.00 0.00 54.13 54.35 3gff s LEU 97 Cb -0.04 -3.42 1.64 0.00 0.03 0.00 0.00 46.19 44.40 3gff s LEU 97 CO 0.06 -1.65 2.06 -0.65 0.23 0.00 0.00 176.35 176.40 3gff h PRO 98 N -0.81 0.00 0.00 1.29 0.11 -1.84 -0.12 132.00 130.64 3gff h PRO 98 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gff h PRO 98 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3gff h PRO 98 CO 0.64 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.09 3gff h SER 99 N 0.00 0.00 0.00 -2.05 4.64 -1.89 -3.47 113.55 110.78 3gff h SER 99 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3gff h SER 99 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3gff h SER 99 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3gff n GLY 100 N 0.07 0.42 3.81 -0.77 0.00 -0.06 -5.08 105.19 103.58 3gff n GLY 100 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3gff n GLY 100 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gff s ASN 101 N -1.95 6.73 0.35 1.61 0.01 -1.26 -4.75 114.94 115.69 3gff s ASN 101 Ca 0.00 1.81 -0.28 0.00 -0.71 0.00 0.00 52.86 53.68 3gff s ASN 101 Cb 0.00 -2.55 -0.10 0.00 0.41 0.00 0.00 41.25 39.01 3gff s ASN 101 CO 0.00 -0.50 1.33 -0.54 -1.51 0.00 0.00 177.10 175.87 3gff s LYS 102 N -3.08 4.27 1.03 -0.60 -0.14 -1.26 -0.48 119.74 119.47 3gff s LYS 102 Ca 0.63 2.25 -0.17 0.00 -1.36 0.00 0.00 55.97 57.31 3gff s LYS 102 Cb -0.13 -3.01 0.23 0.00 -1.68 0.00 0.00 37.83 33.24 3gff s LYS 102 CO 0.17 -0.27 1.30 0.20 -0.76 0.00 0.00 175.35 175.98 3gff s GLY 103 N -0.49 1.76 0.93 -3.33 0.00 0.06 -4.68 107.32 101.57 3gff s GLY 103 Ca 0.51 -1.22 -0.11 0.00 0.00 0.00 0.00 44.72 43.89 3gff s GLY 103 CO 0.53 -0.39 1.09 0.54 0.00 0.00 0.00 173.10 174.87 3gff s ASN 104 N -4.74 3.05 0.56 1.64 2.20 -1.26 -4.85 114.94 111.53 3gff s ASN 104 Ca 0.75 1.71 0.28 0.00 -0.94 0.00 0.00 52.86 54.66 3gff s ASN 104 Cb -0.04 -2.34 1.52 0.00 -2.00 0.00 0.00 41.25 38.39 3gff s ASN 104 CO 0.54 -2.94 1.83 -0.65 -2.94 0.00 0.00 177.10 172.94 3gff h PRO 105 N -1.76 0.00 0.00 3.55 0.11 -1.97 -0.88 132.00 131.05 3gff h PRO 105 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3gff h PRO 105 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3gff h PRO 105 CO 0.50 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.33 3gff n GLN 106 N -2.68 0.93 0.25 1.05 3.00 -1.26 -2.97 117.38 115.70 3gff n GLN 106 Ca -0.02 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.09 3gff n GLN 106 Cb 0.28 -1.50 0.67 0.00 0.00 0.00 0.00 30.24 29.69 3gff n GLN 106 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.06 178.94 3gff h TYR 107 N 0.00 0.00 0.00 1.08 -1.99 -1.47 -2.84 116.97 111.74 3gff h TYR 107 Ca 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 3gff h TYR 107 Cb 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 3gff h TYR 107 CO 0.00 0.14 -0.01 -0.56 -0.00 0.00 0.00 178.16 177.74 3gff h GLN 108 N 0.00 0.00 -0.02 4.88 3.07 -1.77 -1.78 115.11 119.50 3gff h GLN 108 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3gff h GLN 108 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.00 3gff h GLN 108 CO 0.02 0.01 -0.15 0.72 0.09 0.00 0.00 178.83 179.52 3gff n HIS 109 N -3.65 0.00 -1.61 0.06 8.25 -1.07 -4.99 115.22 112.21 3gff n HIS 109 Ca -0.03 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.06 3gff n HIS 109 Cb 0.09 -0.03 0.07 0.00 1.12 0.00 0.00 29.99 31.24 3gff n HIS 109 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3gff n THR 110 N 0.24 4.11 0.00 1.59 -2.24 -0.67 -4.23 114.28 113.08 3gff n THR 110 Ca 0.14 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3gff n THR 110 Cb 0.44 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 3gff n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gff n GLY 111 N 1.09 1.29 1.69 3.38 0.00 -1.15 -4.22 105.19 107.27 3gff n GLY 111 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.25 3gff n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gff n GLY 112 N -1.07 2.78 0.24 -0.02 0.00 0.66 -4.46 105.19 103.33 3gff n GLY 112 Ca 0.00 -0.87 0.05 0.00 0.00 0.00 0.00 46.02 45.20 3gff n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gff h ALA 113 N 4.13 1.70 -0.02 4.61 0.00 -0.91 -1.84 119.26 126.93 3gff h ALA 113 Ca 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3gff h ALA 113 Cb 1.61 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 3gff h ALA 113 CO 0.31 0.23 0.01 0.78 0.00 0.00 0.00 179.25 180.58 3gff h GLY 114 N 0.51 0.03 1.36 0.00 0.00 -1.82 -1.10 103.07 102.04 3gff h GLY 114 Ca 0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 47.33 47.21 3gff h GLY 114 CO 0.01 0.01 -0.32 3.21 0.00 0.00 0.00 176.54 179.46 3gff h ARG 115 N -0.01 0.72 -0.68 4.80 3.08 -1.82 -0.78 114.38 119.70 3gff h ARG 115 Ca 0.01 -0.33 -0.06 0.00 0.07 0.00 0.00 59.98 59.66 3gff h ARG 115 Cb 0.04 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 3gff h ARG 115 CO -0.00 0.94 0.17 0.35 -1.07 0.00 0.00 179.97 180.37 3gff h PHE 116 N 0.61 1.13 -0.77 3.04 3.57 -1.24 0.70 116.94 123.99 3gff h PHE 116 Ca 0.07 -0.13 -0.05 0.00 3.53 0.00 0.00 57.97 61.38 3gff h PHE 116 Cb 0.84 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 3gff h PHE 116 CO 0.04 0.92 0.28 -0.07 -2.23 0.00 0.00 178.31 177.25 3gff h LEU 117 N 1.01 1.08 -0.87 0.59 3.38 -1.01 -1.94 115.31 117.54 3gff h LEU 117 Ca 0.21 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3gff h LEU 117 Cb 0.36 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3gff h LEU 117 CO 0.00 0.97 0.53 0.44 0.09 0.00 0.00 178.44 180.47 3gff h ASP 118 N 1.12 1.04 -0.77 -0.43 3.32 -0.73 -1.00 116.42 118.98 3gff h ASP 118 Ca 0.25 -0.06 0.11 0.00 0.02 0.00 0.00 57.03 57.35 3gff h ASP 118 Cb 0.25 -0.26 -0.08 0.00 0.22 0.00 0.00 39.33 39.46 3gff h ASP 118 CO -0.02 0.80 0.40 0.15 -1.72 0.00 0.00 179.24 178.85 3gff h PHE 119 N 1.20 0.71 -0.04 4.55 3.57 -0.38 0.40 116.94 126.93 3gff h PHE 119 Ca 0.31 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 3gff h PHE 119 Cb -0.05 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.48 3gff h PHE 119 CO -0.00 0.24 0.00 0.82 -2.23 0.00 0.00 178.31 177.14 3gff h ILE 120 N 0.64 1.25 -0.03 1.41 2.04 -0.61 0.45 117.51 122.66 3gff h ILE 120 Ca 0.39 -0.75 -0.21 0.00 1.00 0.00 0.00 64.86 65.29 3gff h ILE 120 Cb 0.44 1.67 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 3gff h ILE 120 CO -0.29 0.20 -0.86 -0.33 0.00 0.00 0.00 178.15 176.87 3gff h GLU 121 N -0.21 0.40 0.00 2.37 5.08 -0.90 0.47 114.58 121.78 3gff h GLU 121 Ca 0.01 -0.39 -0.18 0.00 -1.00 0.00 0.00 59.36 57.80 3gff h GLU 121 Cb 0.32 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 3gff h GLU 121 CO 0.00 1.05 -1.68 1.63 -1.00 0.00 0.00 179.01 179.02 3gff n LYS 122 N -3.77 0.64 0.05 2.33 4.76 0.14 -4.41 118.16 117.90 3gff n LYS 122 Ca -0.06 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 3gff n LYS 122 Cb 0.79 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 3gff n LYS 122 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3gff n GLU 123 N -2.78 0.00 0.39 1.97 1.02 -0.59 -4.78 120.64 115.87 3gff n GLU 123 Ca -0.13 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.83 3gff n GLU 123 Cb 0.86 -0.38 -0.09 0.00 -0.02 0.00 0.00 31.44 31.81 3gff n GLU 123 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3gff h LEU 124 N 0.00 -0.82 -0.21 -4.62 5.85 -0.86 -2.82 115.31 111.83 3gff h LEU 124 Ca 0.00 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3gff h LEU 124 Cb 0.00 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3gff h LEU 124 CO 0.00 -0.54 0.08 0.00 -0.34 0.00 0.00 178.44 177.64 3gff h ALA 125 N -0.83 0.24 -0.86 1.25 0.00 -0.31 -1.47 119.26 117.27 3gff h ALA 125 Ca -0.10 0.02 0.16 0.00 0.00 0.00 0.00 54.91 54.99 3gff h ALA 125 Cb 0.76 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 3gff h ALA 125 CO 0.16 -0.34 0.56 -1.35 0.00 0.00 0.00 179.25 178.29 3gff h PRO 126 N 0.18 0.53 -0.24 0.00 0.11 -1.77 0.14 132.00 130.96 3gff h PRO 126 Ca 0.09 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 3gff h PRO 126 Cb 0.05 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 3gff h PRO 126 CO -0.09 0.35 -0.11 1.03 -0.21 0.00 0.00 178.00 178.97 3gff h SER 127 N 0.54 0.51 -0.26 -2.05 0.87 -1.03 -1.21 113.55 110.92 3gff h SER 127 Ca 0.44 -0.41 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3gff h SER 127 Cb 0.89 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 3gff h SER 127 CO -0.18 0.80 0.15 0.40 -0.53 0.00 0.00 176.83 177.47 3gff h ILE 128 N 0.21 1.11 0.00 2.23 1.08 -0.86 -2.58 117.51 118.70 3gff h ILE 128 Ca 0.05 -0.28 -0.05 0.00 -0.39 0.00 0.00 64.86 64.19 3gff h ILE 128 Cb 0.61 0.82 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 3gff h ILE 128 CO 0.03 0.11 -0.25 -0.33 -0.69 0.00 0.00 178.15 177.02 3gff h GLU 129 N 0.32 0.00 0.00 2.37 5.08 -0.64 0.22 114.58 121.93 3gff h GLU 129 Ca 0.09 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3gff h GLU 129 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3gff h GLU 129 CO -0.02 0.25 -0.27 0.66 -1.00 0.00 0.00 179.01 178.63 3gff h SER 130 N 0.00 0.00 0.15 1.42 4.64 -1.07 -3.35 113.55 115.33 3gff h SER 130 Ca -0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 3gff h SER 130 Cb 0.66 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.69 3gff h SER 130 CO 0.03 0.17 -2.16 0.00 -0.87 0.00 0.00 176.83 174.01 3gff n GLN 131 N -3.10 0.68 -4.45 4.77 6.02 -0.85 -5.01 117.38 115.44 3gff n GLN 131 Ca 0.03 0.17 -0.25 0.00 -0.01 0.00 0.00 57.00 56.94 3gff n GLN 131 Cb 0.61 -1.63 -0.10 0.00 1.02 0.00 0.00 30.24 30.14 3gff n GLN 131 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3gff s LEU 132 N -6.27 2.75 -0.75 1.08 1.43 0.72 -5.08 118.68 112.55 3gff s LEU 132 Ca -0.18 -1.03 -0.22 0.00 -1.03 0.00 0.00 54.13 51.67 3gff s LEU 132 Cb 0.07 -1.17 0.08 0.00 0.03 0.00 0.00 46.19 45.20 3gff s LEU 132 CO 0.75 -0.07 1.08 -0.13 0.23 0.00 0.00 176.35 178.21 3gff s ARG 133 N -3.58 3.26 0.05 1.70 0.52 -1.26 -4.60 118.95 115.05 3gff s ARG 133 Ca 0.31 -0.98 0.02 0.00 -0.52 0.00 0.00 55.73 54.57 3gff s ARG 133 Cb -0.02 -4.46 -0.04 0.00 0.52 0.00 0.00 34.95 30.95 3gff s ARG 133 CO 0.17 -1.88 0.07 0.95 0.02 0.00 0.00 175.30 174.62 3gff s THR 134 N 4.06 4.52 -1.52 0.02 -4.23 -1.26 -1.37 115.64 115.85 3gff s THR 134 Ca 0.28 -0.68 0.17 0.00 -1.18 0.00 0.00 61.69 60.28 3gff s THR 134 Cb -0.12 -3.14 0.44 0.00 1.34 0.00 0.00 72.50 71.02 3gff s THR 134 CO 0.05 0.20 1.36 -0.46 -0.54 0.00 0.00 174.62 175.23 3gff n ASN 135 N 0.71 3.34 0.00 3.99 0.23 0.24 -4.66 115.26 119.11 3gff n ASN 135 Ca -0.10 -1.97 0.00 0.00 -0.53 0.00 0.00 54.58 51.98 3gff n ASN 135 Cb 0.52 -0.32 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 3gff n ASN 135 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gff n GLY 136 N 1.07 0.71 3.49 4.83 0.00 -1.26 -4.96 105.19 109.06 3gff n GLY 136 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3gff n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gff s ILE 137 N -2.24 5.19 -0.08 -0.61 -1.09 -1.26 -4.93 121.20 116.17 3gff s ILE 137 Ca 0.00 -0.39 0.05 0.00 -2.23 0.00 0.00 60.65 58.08 3gff s ILE 137 Cb 0.00 -3.93 -0.01 0.00 -1.58 0.00 0.00 42.46 36.94 3gff s ILE 137 CO 0.00 -0.29 -0.24 0.20 -1.23 0.00 0.00 174.94 173.38 3gff s ASN 138 N 1.74 3.13 -0.05 3.58 0.01 -1.26 -1.23 114.94 120.85 3gff s ASN 138 Ca 0.09 -0.53 0.06 0.00 -0.71 0.00 0.00 52.86 51.77 3gff s ASN 138 Cb -0.18 -1.19 -0.01 0.00 0.41 0.00 0.00 41.25 40.28 3gff s ASN 138 CO 0.12 0.20 -0.25 -0.69 -1.51 0.00 0.00 177.10 174.96 3gff s VAL 139 N 0.13 2.07 -0.15 1.60 1.01 -0.21 -1.53 120.40 123.33 3gff s VAL 139 Ca -0.12 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 60.78 3gff s VAL 139 Cb -0.16 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 3gff s VAL 139 CO 0.07 0.57 -0.11 -0.22 0.00 0.00 0.00 175.10 175.41 3gff s LEU 140 N -0.26 2.78 -0.27 3.92 2.96 -0.56 -0.55 118.68 126.71 3gff s LEU 140 Ca -0.01 -0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 53.56 3gff s LEU 140 Cb -0.13 -1.65 0.04 0.00 0.50 0.00 0.00 46.19 44.95 3gff s LEU 140 CO 0.03 0.13 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.46 3gff s VAL 141 N 0.55 2.91 -0.06 1.68 1.01 -0.27 -0.59 120.40 125.64 3gff s VAL 141 Ca -0.07 -1.17 0.04 0.00 0.00 0.00 0.00 61.98 60.78 3gff s VAL 141 Cb -0.15 -2.56 -0.00 0.00 0.00 0.00 0.00 36.38 33.66 3gff s VAL 141 CO 0.03 0.07 -0.18 -0.83 0.00 0.00 0.00 175.10 174.19 3gff s GLY 142 N 1.29 1.02 -0.00 4.51 0.00 0.01 -1.88 107.32 112.27 3gff s GLY 142 Ca -0.02 -0.73 0.08 0.00 0.00 0.00 0.00 44.72 44.05 3gff s GLY 142 CO -0.03 -0.29 -0.24 -1.58 0.00 0.00 0.00 173.10 170.96 3gff s HIS 143 N 0.20 2.13 0.00 1.90 5.65 -1.26 -0.38 115.29 123.52 3gff s HIS 143 Ca -0.09 -0.40 0.00 0.00 0.25 0.00 0.00 55.06 54.82 3gff s HIS 143 Cb -0.14 -1.34 0.00 0.00 -1.18 0.00 0.00 32.58 29.92 3gff s HIS 143 CO 0.04 0.01 0.00 0.45 -0.65 0.00 0.00 174.74 174.59 3gff n SER 144 N 2.30 0.00 -0.16 9.88 2.88 -0.41 -0.79 113.62 127.32 3gff n SER 144 Ca -0.16 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.53 3gff n SER 144 Cb 0.52 0.00 0.50 0.00 -0.75 0.00 0.00 64.21 64.48 3gff n SER 144 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 3gff h PHE 145 N 0.00 0.49 0.00 0.66 -1.00 -1.91 0.11 116.94 115.28 3gff h PHE 145 Ca 0.00 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 3gff h PHE 145 Cb 0.00 -0.16 -0.00 0.00 3.61 0.00 0.00 35.95 39.40 3gff h PHE 145 CO 0.00 0.19 -0.03 0.78 -1.61 0.00 0.00 178.31 177.65 3gff h GLY 146 N 0.42 0.00 1.93 -1.45 0.00 -1.25 -0.95 103.07 101.77 3gff h GLY 146 Ca 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 3gff h GLY 146 CO -0.12 0.00 -0.03 -1.33 0.00 0.00 0.00 176.54 175.06 3gff h GLY 147 N 0.16 0.10 2.00 4.60 0.00 -0.78 -2.19 103.07 106.95 3gff h GLY 147 Ca -0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 3gff h GLY 147 CO 0.00 0.04 -0.51 1.41 0.00 0.00 0.00 176.54 177.49 3gff h LEU 148 N 0.09 0.00 -0.23 3.11 3.38 -1.23 -2.93 115.31 117.51 3gff h LEU 148 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3gff h LEU 148 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3gff h LEU 148 CO 0.01 0.51 -0.02 0.58 0.09 0.00 0.00 178.44 179.60 3gff h VAL 149 N 0.00 1.27 0.00 1.22 2.07 -1.42 -1.38 116.25 118.01 3gff h VAL 149 Ca -0.01 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.55 3gff h VAL 149 Cb 0.93 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3gff h VAL 149 CO 0.07 0.30 0.00 0.00 0.02 0.00 0.00 177.57 177.95 3gff n ALA 150 N -2.35 0.79 0.00 1.67 0.00 -1.11 -0.88 120.51 118.63 3gff n ALA 150 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3gff n ALA 150 Cb 0.26 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3gff n ALA 150 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3gff n GLU 152 N 0.43 0.00 -0.02 0.00 4.07 -0.52 -1.59 120.64 123.01 3gff n GLU 152 Ca 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.00 3gff n GLU 152 Cb 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.34 3gff n GLU 152 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3gff h ALA 153 N 0.00 0.15 0.19 4.31 0.00 -1.27 0.27 119.26 122.90 3gff h ALA 153 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3gff h ALA 153 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gff h ALA 153 CO 0.00 -0.41 -0.09 1.25 0.00 0.00 0.00 179.25 180.00 3gff h LEU 154 N 0.10 -0.22 -1.11 0.00 5.85 -1.55 -1.99 115.31 116.39 3gff h LEU 154 Ca 0.06 -0.09 0.16 0.00 0.84 0.00 0.00 57.88 58.85 3gff h LEU 154 Cb 0.05 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.05 3gff h LEU 154 CO -0.08 -0.04 0.61 -0.09 -0.34 0.00 0.00 178.44 178.50 3gff h ARG 155 N -0.38 0.78 -0.57 1.25 2.43 -1.68 -1.88 114.38 114.32 3gff h ARG 155 Ca -0.03 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 3gff h ARG 155 Cb 0.30 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3gff h ARG 155 CO 0.04 0.52 0.02 0.25 -1.51 0.00 0.00 179.97 179.29 3gff n THR 156 N -4.65 2.76 -3.77 0.20 -2.24 0.89 -4.97 114.28 102.50 3gff n THR 156 Ca 0.20 -1.47 -0.29 0.00 -2.27 0.00 0.00 64.05 60.22 3gff n THR 156 Cb 0.48 -0.28 0.01 0.00 -2.10 0.00 0.00 70.33 68.44 3gff n THR 156 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3gff n ASP 157 N 0.47 -4.55 -4.69 3.42 8.00 -0.71 -4.89 116.55 113.61 3gff n ASP 157 Ca 0.29 -0.69 -0.42 0.00 0.71 0.00 0.00 54.79 54.68 3gff n ASP 157 Cb 1.20 -3.67 -0.03 0.00 -0.02 0.00 0.00 41.12 38.60 3gff n ASP 157 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3gff s ARG 158 N -6.47 4.16 0.51 -1.24 1.81 -0.78 -4.88 118.95 112.06 3gff s ARG 158 Ca 0.60 2.50 0.31 0.00 -1.72 0.00 0.00 55.73 57.42 3gff s ARG 158 Cb -0.30 -3.69 1.16 0.00 -0.45 0.00 0.00 34.95 31.67 3gff s ARG 158 CO 0.74 -0.83 1.90 -1.00 -0.68 0.00 0.00 175.30 175.43 3gff h PRO 159 N 8.81 0.00 -0.60 3.54 0.13 -1.91 -3.33 132.00 138.64 3gff h PRO 159 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 3gff h PRO 159 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 3gff h PRO 159 CO 0.94 0.00 0.36 1.25 -0.23 0.00 0.00 178.00 180.32 3gff h LEU 160 N 0.00 0.73 -9.51 1.56 5.85 -1.98 -3.44 115.31 108.52 3gff h LEU 160 Ca 0.00 -0.07 -0.65 0.00 0.84 0.00 0.00 57.88 58.00 3gff h LEU 160 Cb 0.59 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.34 3gff h LEU 160 CO 0.00 0.59 -0.49 -0.36 -0.34 0.00 0.00 178.44 177.84 3gff s PHE 161 N -5.95 3.52 -0.15 1.25 0.08 -1.25 -4.36 117.98 111.12 3gff s PHE 161 Ca -0.13 0.45 0.19 0.00 0.12 0.00 0.00 56.93 57.56 3gff s PHE 161 Cb 0.13 -2.00 -0.29 0.00 -0.57 0.00 0.00 43.02 40.30 3gff s PHE 161 CO 0.77 0.59 0.47 -1.13 -0.10 0.00 0.00 175.22 175.82 3gff n SER 162 N 2.46 0.65 -3.89 1.36 3.41 -0.58 -4.97 113.62 112.06 3gff n SER 162 Ca -0.19 -0.13 -0.11 0.00 -0.26 0.00 0.00 58.87 58.18 3gff n SER 162 Cb 0.54 1.75 -0.13 0.00 -0.26 0.00 0.00 64.21 66.12 3gff n SER 162 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gff s ALA 163 N -3.25 -0.08 -0.00 7.33 0.00 -1.21 -1.61 121.76 122.93 3gff s ALA 163 Ca -0.05 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.87 3gff s ALA 163 Cb 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 3gff s ALA 163 CO 0.79 -0.07 -0.09 0.71 0.00 0.00 0.00 175.76 177.10 3gff s TYR 164 N -0.45 0.81 -0.26 0.00 2.02 -0.31 -1.49 117.35 117.66 3gff s TYR 164 Ca -0.05 -0.17 -0.00 0.00 -0.37 0.00 0.00 57.07 56.48 3gff s TYR 164 Cb -0.03 -0.52 0.04 0.00 -0.40 0.00 0.00 41.96 41.05 3gff s TYR 164 CO -0.00 -0.01 -0.07 -0.51 -1.57 0.00 0.00 175.55 173.39 3gff s LEU 165 N -0.29 3.38 -0.39 -1.29 1.02 0.24 -1.11 118.68 120.23 3gff s LEU 165 Ca 0.03 -1.10 -0.05 0.00 0.02 0.00 0.00 54.13 53.03 3gff s LEU 165 Cb -0.04 -1.64 0.09 0.00 0.02 0.00 0.00 46.19 44.62 3gff s LEU 165 CO -0.00 -0.17 0.19 0.00 0.02 0.00 0.00 176.35 176.38 3gff s ALA 166 N 1.25 3.14 -0.50 4.21 0.00 -0.08 -0.81 121.76 128.97 3gff s ALA 166 Ca -0.03 -2.26 -0.14 0.00 0.00 0.00 0.00 51.96 49.53 3gff s ALA 166 Cb -0.18 -2.41 0.11 0.00 0.00 0.00 0.00 23.12 20.64 3gff s ALA 166 CO -0.04 -1.65 0.42 -0.51 0.00 0.00 0.00 175.76 173.98 3gff s LEU 167 N 1.26 5.84 -1.21 0.00 1.43 0.49 -1.64 118.68 124.84 3gff s LEU 167 Ca 0.04 -1.65 -0.08 0.00 -1.03 0.00 0.00 54.13 51.41 3gff s LEU 167 Cb -0.22 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.84 3gff s LEU 167 CO -0.01 -0.74 0.76 -0.67 0.23 0.00 0.00 176.35 175.92 3gff n ASP 168 N 5.14 -3.44 -4.63 2.29 2.03 -0.28 -1.29 116.55 116.37 3gff n ASP 168 Ca -0.12 -0.87 -0.47 0.00 0.52 0.00 0.00 54.79 53.86 3gff n ASP 168 Cb 0.41 -4.04 -0.03 0.00 -0.72 0.00 0.00 41.12 36.74 3gff n ASP 168 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3gff n THR 169 N -4.05 0.90 -1.40 5.18 -1.04 -1.26 -3.60 114.28 109.01 3gff n THR 169 Ca -0.19 -0.23 -0.39 0.00 -2.04 0.00 0.00 64.05 61.20 3gff n THR 169 Cb 0.64 -1.19 -0.02 0.00 -1.82 0.00 0.00 70.33 67.94 3gff n THR 169 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3gff n SER 170 N 2.12 7.04 0.30 8.00 7.64 -1.06 -4.67 113.62 132.98 3gff n SER 170 Ca 0.13 -2.64 0.20 0.00 1.01 0.00 0.00 58.87 57.57 3gff n SER 170 Cb 0.28 -1.56 0.95 0.00 -1.01 0.00 0.00 64.21 62.87 3gff n SER 170 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3gff h LEU 171 N 8.07 0.00 -2.67 -3.43 3.38 -1.89 -1.84 115.31 116.93 3gff h LEU 171 Ca 0.76 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.73 3gff h LEU 171 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3gff h LEU 171 CO 1.81 0.00 -0.01 4.11 0.09 0.00 0.00 178.44 184.44 3gff h TRP 172 N 0.00 0.00 -2.67 1.13 5.08 -1.89 -3.40 115.95 114.20 3gff h TRP 172 Ca 0.00 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.44 3gff h TRP 172 Cb 0.21 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 26.41 3gff h TRP 172 CO 0.00 0.01 1.01 0.12 -1.28 0.00 0.00 178.44 178.29 3gff s PHE 173 N -4.19 2.50 -1.56 0.12 5.36 -0.69 -1.66 117.98 117.86 3gff s PHE 173 Ca -0.04 0.29 -0.15 0.00 -0.96 0.00 0.00 56.93 56.07 3gff s PHE 173 Cb 0.13 -4.02 0.11 0.00 -0.34 0.00 0.00 43.02 38.90 3gff s PHE 173 CO 0.46 -4.06 0.82 -3.47 -1.46 0.00 0.00 175.22 167.50 3gff n ASP 174 N 5.21 -4.09 -4.81 6.13 2.03 -1.26 -4.56 116.55 115.21 3gff n ASP 174 Ca 0.16 -0.79 -0.36 0.00 0.52 0.00 0.00 54.79 54.32 3gff n ASP 174 Cb 0.39 -3.31 -0.06 0.00 -0.72 0.00 0.00 41.12 37.42 3gff n ASP 174 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3gff s SER 175 N -3.17 7.11 0.00 1.67 1.04 -0.67 -0.92 113.70 118.76 3gff s SER 175 Ca 0.65 1.47 0.28 0.00 0.48 0.00 0.00 55.95 58.83 3gff s SER 175 Cb -0.34 -2.44 1.06 0.00 0.10 0.00 0.00 66.02 64.40 3gff s SER 175 CO 0.80 0.04 1.79 -0.81 0.98 0.00 0.00 173.24 176.04 3gff n PRO 176 N 0.77 0.08 0.04 4.02 -0.04 -1.26 -4.78 135.00 133.83 3gff n PRO 176 Ca -0.02 -0.02 -0.14 0.00 -0.04 0.00 0.00 63.50 63.28 3gff n PRO 176 Cb 0.51 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.40 3gff n PRO 176 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3gff h HIS 177 N 0.05 -1.28 -0.35 0.54 2.76 -1.80 -1.57 115.15 113.50 3gff h HIS 177 Ca 0.00 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.18 3gff h HIS 177 Cb 0.48 0.57 -0.01 0.00 1.55 0.00 0.00 27.41 29.99 3gff h HIS 177 CO 0.00 -0.51 0.08 -0.92 -1.30 0.00 0.00 177.93 175.28 3gff h TYR 178 N -0.57 0.59 -0.97 5.26 3.20 -1.27 -2.84 116.97 120.37 3gff h TYR 178 Ca 0.05 -0.07 0.11 0.00 3.14 0.00 0.00 58.73 61.95 3gff h TYR 178 Cb 0.66 -0.17 -0.08 0.00 1.54 0.00 0.00 36.73 38.69 3gff h TYR 178 CO -0.47 0.60 0.62 1.25 -1.64 0.00 0.00 178.16 178.52 3gff h LEU 179 N 0.41 0.90 -0.73 2.82 5.85 -1.77 -0.53 115.31 122.26 3gff h LEU 179 Ca 0.11 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 3gff h LEU 179 Cb 0.31 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3gff h LEU 179 CO 0.00 0.51 0.32 0.74 -0.34 0.00 0.00 178.44 179.67 3gff h THR 180 N 0.98 1.24 -0.99 1.05 2.02 -1.10 -1.01 112.91 115.10 3gff h THR 180 Ca 0.46 -0.72 0.03 0.00 0.77 0.00 0.00 66.41 66.95 3gff h THR 180 Cb 0.43 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 67.14 3gff h THR 180 CO -0.22 0.30 0.65 -0.07 0.37 0.00 0.00 175.52 176.55 3gff h LEU 181 N 1.03 1.10 -0.18 2.58 4.07 -0.90 -0.71 115.31 122.31 3gff h LEU 181 Ca 0.25 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.17 3gff h LEU 181 Cb 0.16 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 3gff h LEU 181 CO -0.03 0.76 0.02 -0.07 -1.08 0.00 0.00 178.44 178.05 3gff h LEU 182 N 1.28 0.29 -0.85 1.67 3.38 -0.84 -2.66 115.31 117.58 3gff h LEU 182 Ca 0.38 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 58.13 3gff h LEU 182 Cb -0.04 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 3gff h LEU 182 CO -0.11 0.49 0.53 -0.33 0.09 0.00 0.00 178.44 179.11 3gff h GLU 183 N 0.07 0.96 -0.99 1.13 5.08 -0.93 -1.52 114.58 118.38 3gff h GLU 183 Ca 0.05 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3gff h GLU 183 Cb 0.33 -0.22 -0.07 0.00 0.50 0.00 0.00 28.75 29.30 3gff h GLU 183 CO 0.00 0.64 0.64 0.93 -1.00 0.00 0.00 179.01 180.23 3gff h GLU 184 N 0.99 1.14 -0.47 2.33 5.08 -1.03 -1.89 114.58 120.74 3gff h GLU 184 Ca 0.36 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.57 3gff h GLU 184 Cb 0.11 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3gff h GLU 184 CO -0.15 0.75 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.50 3gff h ARG 185 N 1.17 0.83 0.29 2.33 9.65 -0.95 -2.36 114.38 125.34 3gff h ARG 185 Ca 0.43 -0.27 -0.00 0.00 -1.10 0.00 0.00 59.98 59.03 3gff h ARG 185 Cb 0.16 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 3gff h ARG 185 CO -0.17 0.89 -0.25 0.28 2.80 0.00 0.00 179.97 183.53 3gff h VAL 186 N 0.68 0.47 -0.83 0.20 2.07 -0.92 0.00 116.25 117.92 3gff h VAL 186 Ca 0.13 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.77 3gff h VAL 186 Cb 0.53 0.47 -0.08 0.00 -1.52 0.00 0.00 31.29 30.69 3gff h VAL 186 CO 0.03 0.00 0.46 0.58 0.02 0.00 0.00 177.57 178.65 3gff h VAL 187 N -0.55 0.83 -0.14 2.57 2.07 -1.36 0.16 116.25 119.83 3gff h VAL 187 Ca -0.01 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 3gff h VAL 187 Cb 0.49 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3gff h VAL 187 CO -0.03 0.13 -0.24 0.50 0.02 0.00 0.00 177.57 177.96 3gff h LYS 188 N 0.72 0.25 0.00 1.57 3.64 -1.22 -3.47 116.57 118.06 3gff h LYS 188 Ca 0.43 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 3gff h LYS 188 Cb 0.49 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3gff h LYS 188 CO -0.30 0.48 0.00 0.41 -2.27 0.00 0.00 179.45 177.77 3gff n GLY 189 N -0.60 2.31 3.99 5.01 0.00 0.04 -4.89 105.19 111.04 3gff n GLY 189 Ca -0.01 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 3gff n GLY 189 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gff n ASP 190 N 0.47 -1.67 -4.77 1.61 8.00 -1.16 -4.93 116.55 114.10 3gff n ASP 190 Ca 0.00 -1.11 -0.34 0.00 0.71 0.00 0.00 54.79 54.05 3gff n ASP 190 Cb 0.00 -2.62 0.02 0.00 -0.02 0.00 0.00 41.12 38.50 3gff n ASP 190 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3gff s PHE 191 N -3.88 2.67 -1.22 1.24 0.08 -0.01 -4.93 117.98 111.93 3gff s PHE 191 Ca 0.17 1.55 -0.09 0.00 0.12 0.00 0.00 56.93 58.68 3gff s PHE 191 Cb -0.08 -3.22 0.20 0.00 -0.57 0.00 0.00 43.02 39.35 3gff s PHE 191 CO 0.92 -1.59 1.69 1.63 -0.10 0.00 0.00 175.22 177.77 3gff n LYS 192 N -1.82 3.73 -3.48 0.44 5.02 -1.26 -4.19 118.16 116.60 3gff n LYS 192 Ca 0.11 -3.82 -0.20 0.00 -2.02 0.00 0.00 58.31 52.38 3gff n LYS 192 Cb 0.51 -2.85 0.03 0.00 -0.02 0.00 0.00 35.03 32.70 3gff n LYS 192 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3gff n GLN 193 N 3.65 -1.43 -3.89 1.97 1.13 -1.03 -4.82 117.38 112.96 3gff n GLN 193 Ca 0.36 0.85 -0.21 0.00 -1.94 0.00 0.00 57.00 56.05 3gff n GLN 193 Cb 0.37 -4.44 -0.04 0.00 0.11 0.00 0.00 30.24 26.24 3gff n GLN 193 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3gff s LYS 194 N -4.78 2.76 -0.02 -1.09 -0.14 0.52 -4.20 119.74 112.78 3gff s LYS 194 Ca 0.26 -1.25 0.01 0.00 -1.36 0.00 0.00 55.97 53.63 3gff s LYS 194 Cb -0.08 -2.49 0.01 0.00 -1.68 0.00 0.00 37.83 33.59 3gff s LYS 194 CO 0.82 0.17 -0.05 -0.65 -0.76 0.00 0.00 175.35 174.88 3gff s GLN 195 N -3.95 0.52 -0.03 1.68 -0.21 -0.63 -0.97 119.66 116.06 3gff s GLN 195 Ca 0.39 -0.14 0.01 0.00 0.02 0.00 0.00 55.36 55.63 3gff s GLN 195 Cb -0.06 -0.53 0.02 0.00 1.00 0.00 0.00 33.01 33.44 3gff s GLN 195 CO 0.26 0.04 -0.01 -1.17 -2.12 0.00 0.00 175.29 172.29 3gff s LEU 196 N 0.25 1.31 0.00 2.90 2.96 -0.20 -1.16 118.68 124.74 3gff s LEU 196 Ca -0.03 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 3gff s LEU 196 Cb -0.06 -0.25 -0.00 0.00 0.50 0.00 0.00 46.19 46.37 3gff s LEU 196 CO -0.00 -0.07 0.00 0.33 -1.32 0.00 0.00 176.35 175.29 3gff n PHE 197 N 3.97 0.20 -3.65 5.38 7.35 -0.27 -4.12 117.46 126.32 3gff n PHE 197 Ca -0.25 -0.48 -0.12 0.00 -0.76 0.00 0.00 57.45 55.84 3gff n PHE 197 Cb 0.51 -0.06 -0.07 0.00 0.35 0.00 0.00 39.48 40.21 3gff n PHE 197 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3gff s ALA 199 N -2.17 -1.70 -0.18 3.13 0.00 -0.65 -0.90 121.76 119.28 3gff s ALA 199 Ca 0.00 2.05 -0.01 0.00 0.00 0.00 0.00 51.96 54.00 3gff s ALA 199 Cb 0.00 -1.20 0.05 0.00 0.00 0.00 0.00 23.12 21.97 3gff s ALA 199 CO 0.00 -0.33 -0.03 0.42 0.00 0.00 0.00 175.76 175.81 3gff s ILE 200 N 0.80 1.04 0.40 0.00 1.01 -0.12 -1.12 121.20 123.20 3gff s ILE 200 Ca -0.03 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 3gff s ILE 200 Cb -0.05 -1.29 0.08 0.00 0.01 0.00 0.00 42.46 41.21 3gff s ILE 200 CO -0.06 0.03 0.55 0.00 0.00 0.00 0.00 174.94 175.46 3gff n ALA 201 N 4.88 -0.05 -2.86 9.38 0.00 -1.26 0.09 120.51 130.70 3gff n ALA 201 Ca -0.11 -1.01 -0.25 0.00 0.00 0.00 0.00 53.44 52.08 3gff n ALA 201 Cb 0.47 0.13 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 3gff n ALA 201 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gff n ASN 202 N -3.03 3.83 -4.71 0.00 5.15 -0.24 -4.75 115.26 111.50 3gff n ASN 202 Ca 0.09 -3.54 -0.42 0.00 -0.60 0.00 0.00 54.58 50.11 3gff n ASN 202 Cb 0.31 -0.55 -0.03 0.00 -0.53 0.00 0.00 39.78 38.98 3gff n ASN 202 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3gff s ASN 203 N -3.32 6.99 0.07 1.20 2.47 -1.26 -4.74 114.94 116.36 3gff s ASN 203 Ca 0.46 2.12 0.18 0.00 0.42 0.00 0.00 52.86 56.04 3gff s ASN 203 Cb 0.33 -2.58 0.75 0.00 -1.45 0.00 0.00 41.25 38.29 3gff s ASN 203 CO -0.13 -0.54 1.56 -0.81 -3.72 0.00 0.00 177.10 173.46 3gff n PRO 204 N 3.96 0.06 -4.43 0.43 -0.04 -1.26 -4.72 135.00 129.00 3gff n PRO 204 Ca 0.10 0.28 -0.30 0.00 -0.04 0.00 0.00 63.50 63.54 3gff n PRO 204 Cb 0.45 -1.60 -0.12 0.00 -0.04 0.00 0.00 33.50 32.19 3gff n PRO 204 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3gff s LEU 205 N -3.42 2.63 -0.09 1.53 1.43 -1.25 -1.11 118.68 118.40 3gff s LEU 205 Ca 0.07 -0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 52.63 3gff s LEU 205 Cb 0.10 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.84 3gff s LEU 205 CO 0.32 0.20 -0.06 -0.44 0.23 0.00 0.00 176.35 176.60 3gff s SER 206 N -1.92 1.87 0.11 2.29 0.01 -0.47 -4.82 113.70 110.78 3gff s SER 206 Ca 0.17 -0.24 -0.35 0.00 1.31 0.00 0.00 55.95 56.83 3gff s SER 206 Cb -0.10 -0.72 -0.17 0.00 0.21 0.00 0.00 66.02 65.24 3gff s SER 206 CO 0.08 -0.10 1.14 -2.65 0.41 0.00 0.00 173.24 172.12 3gff n PRO 207 N 4.72 0.80 -0.19 12.44 -0.02 -1.26 -0.39 135.00 151.10 3gff n PRO 207 Ca -0.14 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3gff n PRO 207 Cb 0.50 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 3gff n PRO 207 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gff n GLY 208 N 2.04 2.53 0.00 -1.23 0.00 -1.26 -4.70 105.19 102.57 3gff n GLY 208 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 3gff n GLY 208 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gff n PHE 209 N -2.00 0.00 -3.23 1.61 3.72 0.48 -4.71 117.46 113.34 3gff n PHE 209 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3gff n PHE 209 Cb 0.00 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 3gff n PHE 209 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gff n GLY 210 N 2.25 0.35 3.59 1.37 0.00 -0.90 -4.63 105.19 107.22 3gff n GLY 210 Ca -0.00 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 3gff n GLY 210 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gff s VAL 211 N 0.00 3.48 -0.29 1.61 1.01 -1.26 -1.36 120.40 123.59 3gff s VAL 211 Ca 0.00 0.45 -0.25 0.00 0.00 0.00 0.00 61.98 62.18 3gff s VAL 211 Cb 0.00 -3.78 0.15 0.00 0.00 0.00 0.00 36.38 32.75 3gff s VAL 211 CO 0.00 -0.58 1.17 -0.55 0.00 0.00 0.00 175.10 175.14 3gff s SER 212 N 6.47 -0.32 -0.13 3.32 0.15 -0.27 -4.93 113.70 118.00 3gff s SER 212 Ca 0.75 0.61 0.13 0.00 0.70 0.00 0.00 55.95 58.13 3gff s SER 212 Cb -0.19 0.63 0.60 0.00 -1.71 0.00 0.00 66.02 65.36 3gff s SER 212 CO 0.30 -0.10 1.46 -1.54 1.20 0.00 0.00 173.24 174.56 3gff n SER 213 N 2.04 4.22 -0.23 5.45 3.41 -1.26 -2.91 113.62 124.34 3gff n SER 213 Ca -0.12 -2.51 0.02 0.00 -0.26 0.00 0.00 58.87 56.01 3gff n SER 213 Cb 0.56 -0.57 0.14 0.00 -0.26 0.00 0.00 64.21 64.09 3gff n SER 213 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3gff h TYR 214 N 3.20 0.47 -0.24 7.33 3.20 -1.93 0.12 116.97 129.13 3gff h TYR 214 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3gff h TYR 214 Cb 1.39 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.54 3gff h TYR 214 CO 0.72 0.10 0.11 1.25 -1.64 0.00 0.00 178.16 178.70 3gff h HIS 215 N 0.45 0.34 -0.45 -3.82 2.76 -1.88 -2.20 115.15 110.36 3gff h HIS 215 Ca 0.36 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.49 3gff h HIS 215 Cb 0.47 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.31 3gff h HIS 215 CO -0.16 0.34 0.21 -0.22 -1.30 0.00 0.00 177.93 176.80 3gff h LYS 216 N 0.24 0.66 -0.84 5.26 3.64 -1.66 -2.83 116.57 121.04 3gff h LYS 216 Ca 0.08 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3gff h LYS 216 Cb 0.13 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 3gff h LYS 216 CO -0.01 0.57 0.40 -0.44 -2.27 0.00 0.00 179.45 177.70 3gff h ASP 217 N 0.59 1.10 -0.79 4.20 3.32 -0.73 -1.01 116.42 123.10 3gff h ASP 217 Ca 0.15 -0.14 0.07 0.00 0.02 0.00 0.00 57.03 57.14 3gff h ASP 217 Cb 0.14 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.34 3gff h ASP 217 CO -0.02 0.93 0.47 -0.07 -1.72 0.00 0.00 179.24 178.83 3gff h LEU 218 N 1.19 0.72 -0.07 1.55 4.07 -1.33 -1.75 115.31 119.70 3gff h LEU 218 Ca 0.29 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.26 3gff h LEU 218 Cb 0.12 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 3gff h LEU 218 CO -0.04 0.45 0.00 0.78 -1.08 0.00 0.00 178.44 178.56 3gff h ASN 219 N 0.85 0.12 -0.66 -0.43 2.35 -1.11 -2.79 115.58 113.91 3gff h ASN 219 Ca 0.36 -0.30 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 3gff h ASN 219 Cb 0.21 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 3gff h ASN 219 CO -0.19 0.39 0.28 -0.07 -1.65 0.00 0.00 177.43 176.18 3gff h LEU 220 N -0.16 0.92 -0.62 1.61 3.38 -1.05 -2.10 115.31 117.30 3gff h LEU 220 Ca 0.02 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.71 3gff h LEU 220 Cb 0.33 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3gff h LEU 220 CO 0.00 0.82 -0.63 0.00 0.09 0.00 0.00 178.44 178.73 3gff h ALA 221 N 1.32 0.81 -0.11 1.53 0.00 -1.40 -1.63 119.26 119.78 3gff h ALA 221 Ca 0.23 -0.56 -0.24 0.00 0.00 0.00 0.00 54.91 54.35 3gff h ALA 221 Cb 0.18 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.90 3gff h ALA 221 CO -0.02 0.74 -0.85 0.35 0.00 0.00 0.00 179.25 179.47 3gff h PHE 222 N 0.18 1.07 -0.17 0.00 3.57 -1.31 -0.85 116.94 119.44 3gff h PHE 222 Ca -0.01 -0.50 -0.00 0.00 3.53 0.00 0.00 57.97 60.99 3gff h PHE 222 Cb 1.14 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 3gff h PHE 222 CO 0.02 1.34 0.09 0.00 -2.23 0.00 0.00 178.31 177.53 3gff h ALA 223 N 0.52 0.21 -0.99 2.41 0.00 -1.41 0.12 119.26 120.12 3gff h ALA 223 Ca -0.07 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.84 3gff h ALA 223 Cb 1.49 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.15 3gff h ALA 223 CO 0.17 -0.26 0.64 -0.44 0.00 0.00 0.00 179.25 179.37 3gff h ASP 224 N 0.17 1.03 -0.33 0.00 3.32 -1.27 0.44 116.42 119.78 3gff h ASP 224 Ca 0.06 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 3gff h ASP 224 Cb 0.06 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3gff h ASP 224 CO -0.01 0.66 -0.01 0.50 -1.72 0.00 0.00 179.24 178.66 3gff h LYS 225 N 1.17 0.60 -0.95 3.56 3.64 -0.65 -0.74 116.57 123.21 3gff h LYS 225 Ca 0.42 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3gff h LYS 225 Cb 0.15 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.87 3gff h LYS 225 CO -0.17 0.73 0.57 -0.07 -2.27 0.00 0.00 179.45 178.25 3gff h LEU 226 N 0.40 1.15 0.00 5.20 3.38 -0.19 0.36 115.31 125.60 3gff h LEU 226 Ca 0.09 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3gff h LEU 226 Cb 0.47 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3gff h LEU 226 CO 0.02 0.88 -0.00 0.74 0.09 0.00 0.00 178.44 180.17 3gff h THR 227 N 1.31 1.29 -0.12 0.22 2.02 -0.73 0.39 112.91 117.29 3gff h THR 227 Ca 0.34 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 3gff h THR 227 Cb -0.05 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 3gff h THR 227 CO -0.06 0.23 0.03 0.50 0.37 0.00 0.00 175.52 176.58 3gff h LYS 228 N -0.37 0.20 -0.20 6.66 3.64 -1.05 -3.12 116.57 122.32 3gff h LYS 228 Ca -0.00 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 3gff h LYS 228 Cb 0.37 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3gff h LYS 228 CO 0.00 0.36 -0.28 -0.07 -2.27 0.00 0.00 179.45 177.19 3gff h LEU 229 N 0.00 0.39 -3.33 5.20 4.07 -0.98 -3.48 115.31 117.18 3gff h LEU 229 Ca 0.04 -0.13 -0.52 0.00 0.08 0.00 0.00 57.88 57.35 3gff h LEU 229 Cb 0.25 -0.11 0.01 0.00 1.08 0.00 0.00 40.66 41.89 3gff h LEU 229 CO -0.00 0.66 -0.97 0.00 -1.08 0.00 0.00 178.44 177.05 3gff n ALA 230 N -2.48 -2.49 -1.65 1.53 0.00 0.13 -4.83 120.51 110.70 3gff n ALA 230 Ca -0.01 -0.40 -0.41 0.00 0.00 0.00 0.00 53.44 52.62 3gff n ALA 230 Cb 0.41 -3.04 0.01 0.00 0.00 0.00 0.00 19.45 16.82 3gff n ALA 230 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3gff n PRO 231 N -4.61 1.63 -2.06 0.00 -0.04 -1.26 -4.91 135.00 123.74 3gff n PRO 231 Ca -0.14 0.58 -0.39 0.00 -0.04 0.00 0.00 63.50 63.51 3gff n PRO 231 Cb 0.59 -2.20 -0.01 0.00 -0.04 0.00 0.00 33.50 31.85 3gff n PRO 231 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3gff s LYS 232 N -2.10 3.98 0.00 0.54 -0.14 -1.26 -3.51 119.74 117.24 3gff s LYS 232 Ca 0.62 2.15 0.00 0.00 -1.36 0.00 0.00 55.97 57.38 3gff s LYS 232 Cb -0.54 -2.76 0.00 0.00 -1.68 0.00 0.00 37.83 32.85 3gff s LYS 232 CO 0.57 -0.49 0.00 0.41 -0.76 0.00 0.00 175.35 175.09 3gff n GLY 233 N 0.67 0.66 3.04 -3.33 0.00 -1.26 -0.83 105.19 104.14 3gff n GLY 233 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3gff n GLY 233 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gff s LEU 234 N 0.00 1.91 -0.25 0.99 2.96 -1.23 -0.35 118.68 122.71 3gff s LEU 234 Ca 0.00 -0.60 -0.23 0.00 -0.22 0.00 0.00 54.13 53.08 3gff s LEU 234 Cb 0.00 -1.28 -0.01 0.00 0.50 0.00 0.00 46.19 45.41 3gff s LEU 234 CO 0.00 -0.05 0.76 -0.83 -1.32 0.00 0.00 176.35 174.91 3gff s GLY 235 N 1.41 1.77 0.39 7.98 0.00 -0.15 -4.84 107.32 113.89 3gff s GLY 235 Ca 0.04 -0.25 0.03 0.00 0.00 0.00 0.00 44.72 44.54 3gff s GLY 235 CO -0.11 1.69 0.09 -0.12 0.00 0.00 0.00 173.10 174.65 3gff s PHE 236 N 2.74 1.87 -0.02 1.90 5.36 -1.26 -1.03 117.98 127.53 3gff s PHE 236 Ca 0.32 -1.13 -0.29 0.00 -0.96 0.00 0.00 56.93 54.87 3gff s PHE 236 Cb -0.15 -1.26 0.08 0.00 -0.34 0.00 0.00 43.02 41.34 3gff s PHE 236 CO 0.08 -0.12 0.71 0.00 -1.46 0.00 0.00 175.22 174.43 3gff s ALA 238 N -3.19 -1.76 -0.04 11.12 0.00 -1.26 -5.01 121.76 121.62 3gff s ALA 238 Ca 0.26 1.18 0.01 0.00 0.00 0.00 0.00 51.96 53.41 3gff s ALA 238 Cb 0.05 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.29 3gff s ALA 238 CO 0.13 -0.45 -0.01 0.21 0.00 0.00 0.00 175.76 175.64 3gff s LYS 239 N -1.74 0.49 -0.10 0.00 2.20 -1.26 -5.03 119.74 114.30 3gff s LYS 239 Ca -0.07 0.02 -0.14 0.00 -0.36 0.00 0.00 55.97 55.42 3gff s LYS 239 Cb -0.00 -0.63 -0.05 0.00 -1.51 0.00 0.00 37.83 35.64 3gff s LYS 239 CO 0.04 -0.12 0.33 -0.47 -0.36 0.00 0.00 175.35 174.77 3gff s TYR 240 N 1.03 3.58 -0.53 4.03 5.04 -1.26 -0.95 117.35 128.29 3gff s TYR 240 Ca -0.10 0.76 0.03 0.00 -2.44 0.00 0.00 57.07 55.33 3gff s TYR 240 Cb -0.14 -2.30 0.13 0.00 0.35 0.00 0.00 41.96 40.01 3gff s TYR 240 CO -0.01 0.43 0.28 0.71 -1.34 0.00 0.00 175.55 175.62 3gff s TYR 241 N -0.23 3.22 0.39 4.97 1.51 0.11 -4.95 117.35 122.37 3gff s TYR 241 Ca 0.20 -3.13 0.34 0.00 -1.01 0.00 0.00 57.07 53.47 3gff s TYR 241 Cb -0.14 -2.86 1.71 0.00 -0.11 0.00 0.00 41.96 40.55 3gff s TYR 241 CO 0.08 -0.75 2.13 -1.00 -1.11 0.00 0.00 175.55 174.90 3gff h PRO 242 N 6.57 0.00 -0.62 -1.71 0.13 -1.91 -2.29 132.00 132.17 3gff h PRO 242 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3gff h PRO 242 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3gff h PRO 242 CO 0.69 0.05 0.00 0.39 -0.23 0.00 0.00 178.00 178.90 3gff n GLU 243 N -3.31 4.48 -4.43 0.86 -0.58 -1.26 -4.62 120.64 111.78 3gff n GLU 243 Ca -0.01 -3.05 -0.25 0.00 -0.42 0.00 0.00 57.16 53.42 3gff n GLU 243 Cb 0.21 -2.14 -0.10 0.00 -0.57 0.00 0.00 31.44 28.84 3gff n GLU 243 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3gff s GLU 244 N -2.42 1.68 0.44 3.49 0.41 -0.87 -5.04 118.70 116.39 3gff s GLU 244 Ca 0.53 -1.63 0.08 0.00 -0.41 0.00 0.00 54.97 53.54 3gff s GLU 244 Cb 0.38 -1.85 -0.01 0.00 -1.78 0.00 0.00 34.13 30.88 3gff s GLU 244 CO 0.19 0.36 0.43 0.95 -0.49 0.00 0.00 175.26 176.71 3gff s THR 245 N -2.13 2.61 0.20 3.63 -4.23 -1.26 -1.08 115.64 113.38 3gff s THR 245 Ca 0.26 -1.28 -0.11 0.00 -1.18 0.00 0.00 61.69 59.39 3gff s THR 245 Cb -0.06 -2.89 0.14 0.00 1.34 0.00 0.00 72.50 71.03 3gff s THR 245 CO 0.13 0.00 1.85 -0.74 -0.54 0.00 0.00 174.62 175.33 3gff h HIS 246 N 0.90 0.83 0.00 3.99 -0.00 -1.94 -2.05 115.15 116.88 3gff h HIS 246 Ca -0.40 0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 59.86 3gff h HIS 246 Cb 1.27 -0.27 0.01 0.00 -0.00 0.00 0.00 27.41 28.42 3gff h HIS 246 CO 0.53 0.49 -0.52 1.96 -0.00 0.00 0.00 177.93 180.38 3gff h GLN 247 N 0.88 0.35 0.00 5.26 1.08 -1.99 -3.35 115.11 117.34 3gff h GLN 247 Ca 0.27 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 3gff h GLN 247 Cb -0.02 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3gff h GLN 247 CO -0.09 1.07 0.00 0.66 -0.95 0.00 0.00 178.83 179.52 3gff h SER 248 N -0.21 0.00 0.93 1.46 4.64 -1.91 -3.07 113.55 115.38 3gff h SER 248 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3gff h SER 248 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3gff h SER 248 CO 0.10 0.00 0.00 0.55 -0.87 0.00 0.00 176.83 176.61 3gff n VAL 249 N -2.75 0.29 -0.30 0.95 3.14 -0.79 -3.50 118.33 115.38 3gff n VAL 249 Ca 0.00 0.03 0.01 0.00 -2.96 0.00 0.00 64.34 61.43 3gff n VAL 249 Cb 0.21 -0.63 0.14 0.00 -1.06 0.00 0.00 33.84 32.50 3gff n VAL 249 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 3gff h SER 250 N 0.00 0.76 0.45 6.55 4.64 -1.76 0.91 113.55 125.10 3gff h SER 250 Ca 0.00 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 3gff h SER 250 Cb 0.46 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3gff h SER 250 CO 0.00 0.47 -0.21 -0.74 -0.87 0.00 0.00 176.83 175.48 3gff h HIS 251 N 0.89 -0.56 0.00 4.77 2.76 -1.83 -2.45 115.15 118.73 3gff h HIS 251 Ca 0.37 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.48 3gff h HIS 251 Cb 0.23 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 3gff h HIS 251 CO -0.04 -0.35 -0.23 0.97 -1.30 0.00 0.00 177.93 176.98 3gff h ILE 252 N -1.12 0.91 -0.37 6.26 6.09 -1.73 -0.24 117.51 127.31 3gff h ILE 252 Ca -0.06 -0.87 -0.05 0.00 -1.37 0.00 0.00 64.86 62.51 3gff h ILE 252 Cb 0.46 1.50 -0.01 0.00 0.47 0.00 0.00 36.82 39.24 3gff h ILE 252 CO 0.10 0.23 0.04 1.23 -3.07 0.00 0.00 178.15 176.67 3gff h GLY 253 N 1.00 0.67 0.91 8.18 0.00 -0.88 -0.81 103.07 112.14 3gff h GLY 253 Ca -0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 3gff h GLY 253 CO 0.03 0.43 -0.22 -2.00 0.00 0.00 0.00 176.54 174.78 3gff h LEU 254 N 0.45 0.64 -0.37 3.11 5.85 -1.16 0.17 115.31 124.00 3gff h LEU 254 Ca 0.11 -0.46 0.08 0.00 0.84 0.00 0.00 57.88 58.45 3gff h LEU 254 Cb 0.40 -0.18 -0.09 0.00 0.37 0.00 0.00 40.66 41.16 3gff h LEU 254 CO 0.01 0.97 -0.29 0.22 -0.34 0.00 0.00 178.44 179.01 3gff h TYR 255 N 0.33 -0.78 0.04 1.25 5.03 -0.90 0.52 116.97 122.46 3gff h TYR 255 Ca 0.05 0.05 -0.22 0.00 2.58 0.00 0.00 58.73 61.18 3gff h TYR 255 Cb 0.77 0.40 -0.02 0.00 1.55 0.00 0.00 36.73 39.43 3gff h TYR 255 CO 0.07 -0.35 -1.04 -0.44 -1.32 0.00 0.00 178.16 175.08 3gff h ASP 256 N -0.23 0.15 -0.19 -2.11 3.32 -1.16 -2.86 116.42 113.35 3gff h ASP 256 Ca 0.17 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3gff h ASP 256 Cb 0.51 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3gff h ASP 256 CO -0.50 1.09 -0.00 1.23 -1.72 0.00 0.00 179.24 179.33 3gff h GLY 257 N 2.41 0.36 1.88 2.75 0.00 -0.52 -1.55 103.07 108.40 3gff h GLY 257 Ca -0.05 -0.26 -0.16 0.00 0.00 0.00 0.00 47.33 46.85 3gff h GLY 257 CO 0.15 0.24 -0.75 1.19 0.00 0.00 0.00 176.54 177.38 3gff h ILE 258 N 0.08 1.48 -0.37 2.60 6.09 -0.98 -1.37 117.51 125.05 3gff h ILE 258 Ca 0.05 -2.42 -0.13 0.00 -1.37 0.00 0.00 64.86 60.99 3gff h ILE 258 Cb 0.40 2.31 -0.01 0.00 0.47 0.00 0.00 36.82 39.98 3gff h ILE 258 CO 0.01 0.70 -0.29 0.03 -3.07 0.00 0.00 178.15 175.53 3gff h ARG 259 N 0.07 0.85 -0.45 2.19 3.08 -1.54 -2.43 114.38 116.15 3gff h ARG 259 Ca -0.02 -0.42 -0.06 0.00 0.07 0.00 0.00 59.98 59.55 3gff h ARG 259 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.35 3gff h ARG 259 CO 0.11 1.06 0.04 1.25 -1.07 0.00 0.00 179.97 181.35 3gff h HIS 260 N 0.65 0.82 -0.86 3.04 2.76 -1.15 -1.04 115.15 119.36 3gff h HIS 260 Ca 0.07 -0.13 0.04 0.00 -2.20 0.00 0.00 60.37 58.15 3gff h HIS 260 Cb 0.87 -0.22 -0.06 0.00 1.55 0.00 0.00 27.41 29.55 3gff h HIS 260 CO 0.06 0.79 0.55 1.25 -1.30 0.00 0.00 177.93 179.28 3gff h LEU 261 N 0.62 0.89 -2.72 0.26 5.85 -1.22 -3.04 115.31 115.95 3gff h LEU 261 Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3gff h LEU 261 Cb 0.44 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3gff h LEU 261 CO 0.02 0.60 0.00 0.49 -0.34 0.00 0.00 178.44 179.20 3gff n PHE 262 N -4.57 0.87 -0.09 1.25 3.72 -0.92 -4.67 117.46 113.04 3gff n PHE 262 Ca 0.11 -0.47 -0.06 0.00 -0.05 0.00 0.00 57.45 56.98 3gff n PHE 262 Cb 0.12 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.66 3gff n PHE 262 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3gff h LYS 263 N 4.03 -0.15 -0.02 -1.08 3.64 -1.06 -2.39 116.57 119.54 3gff h LYS 263 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3gff h LYS 263 Cb 0.96 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3gff h LYS 263 CO 0.00 -0.10 0.00 -0.25 -2.27 0.00 0.00 179.45 176.83 3gff n ASP 264 N -5.37 0.12 0.15 4.20 8.00 -1.26 -3.54 116.55 118.85 3gff n ASP 264 Ca 0.01 -1.70 0.12 0.00 0.71 0.00 0.00 54.79 53.93 3gff n ASP 264 Cb 0.28 -0.01 0.10 0.00 -0.02 0.00 0.00 41.12 41.47 3gff n ASP 264 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3gff h PHE 265 N 0.14 0.00 -3.69 1.24 -1.00 -1.78 -3.47 116.94 108.39 3gff h PHE 265 Ca 0.00 0.00 -0.53 0.00 2.81 0.00 0.00 57.97 60.25 3gff h PHE 265 Cb 0.03 0.00 0.07 0.00 3.61 0.00 0.00 35.95 39.66 3gff h PHE 265 CO 0.01 0.00 0.70 0.00 -1.61 0.00 0.00 178.31 177.41 3gff s ALA 266 N -3.27 3.56 -0.25 2.45 0.00 -1.23 -5.02 121.76 117.99 3gff s ALA 266 Ca 0.04 1.32 -0.02 0.00 0.00 0.00 0.00 51.96 53.29 3gff s ALA 266 Cb 0.08 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.70 3gff s ALA 266 CO 0.72 -0.73 -0.04 0.42 0.00 0.00 0.00 175.76 176.13 3gff s ILE 267 N -0.68 3.02 -0.52 0.00 1.01 -1.26 -5.07 121.20 117.70 3gff s ILE 267 Ca 0.53 -0.96 -0.18 0.00 0.00 0.00 0.00 60.65 60.04 3gff s ILE 267 Cb -0.41 -2.53 0.07 0.00 0.01 0.00 0.00 42.46 39.60 3gff s ILE 267 CO 0.50 0.20 0.58 -0.62 0.00 0.00 0.00 174.94 175.60 3gff s ASP 268 N 1.35 6.20 -0.03 3.58 -1.08 -1.26 -4.95 116.67 120.48 3gff s ASP 268 Ca 0.01 -1.16 0.00 0.00 -0.52 0.00 0.00 52.55 50.88 3gff s ASP 268 Cb -0.17 -2.26 0.05 0.00 -1.46 0.00 0.00 42.92 39.08 3gff s ASP 268 CO -0.04 -0.88 1.17 2.30 0.52 0.00 0.00 175.17 178.24 3gff n ILE 269 N 5.49 1.26 -2.00 4.11 -6.64 -1.26 -4.76 119.36 115.56 3gff n ILE 269 Ca -0.09 -0.20 -0.01 0.00 -1.77 0.00 0.00 62.75 60.68 3gff n ILE 269 Cb 0.44 -1.02 0.11 0.00 -1.44 0.00 0.00 39.64 37.74 3gff n ILE 269 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3gff n TYR 270 N 0.48 0.69 0.00 4.28 4.11 -1.26 -5.08 117.16 120.38 3gff n TYR 270 Ca 0.04 -1.49 0.00 0.00 -0.00 0.00 0.00 57.90 56.45 3gff n TYR 270 Cb 0.58 -0.25 0.00 0.00 -0.00 0.00 0.00 39.34 39.67 3gff n TYR 270 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 3gff n PHE 274 N -0.63 0.00 -3.66 -3.48 7.35 -1.26 -5.26 117.46 110.51 3gff n PHE 274 Ca 0.20 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.84 3gff n PHE 274 Cb 0.86 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.67 3gff n PHE 274 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3gff s SER 275 N 0.00 -0.26 0.13 -2.13 1.04 -1.26 -5.00 113.70 106.22 3gff s SER 275 Ca 0.00 -0.26 -0.19 0.00 0.48 0.00 0.00 55.95 55.98 3gff s SER 275 Cb 0.00 0.47 -0.00 0.00 0.10 0.00 0.00 66.02 66.59 3gff s SER 275 CO 0.00 -0.83 1.71 0.07 0.98 0.00 0.00 173.24 175.17 3gff h LYS 276 N 2.00 0.05 -0.64 4.02 -0.00 -2.00 -2.68 116.57 117.32 3gff h LYS 276 Ca -0.24 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.37 3gff h LYS 276 Cb 1.24 -0.01 -0.03 0.00 -0.00 0.00 0.00 32.23 33.43 3gff h LYS 276 CO 0.28 0.04 0.24 0.37 -0.00 0.00 0.00 179.45 180.38 3gff h GLN 277 N 0.06 0.95 -0.97 0.07 5.75 -1.99 -2.05 115.11 116.93 3gff h GLN 277 Ca 0.11 -0.16 0.08 0.00 -0.15 0.00 0.00 58.65 58.53 3gff h GLN 277 Cb 0.15 -0.16 -0.07 0.00 1.07 0.00 0.00 27.48 28.47 3gff h GLN 277 CO -0.20 0.79 0.63 1.96 -2.65 0.00 0.00 178.83 179.35 3gff h GLN 278 N 0.93 1.04 0.04 1.69 7.50 -1.87 0.18 115.11 124.63 3gff h GLN 278 Ca 0.22 -0.06 -0.28 0.00 0.50 0.00 0.00 58.65 59.03 3gff h GLN 278 Cb 0.20 -0.23 0.02 0.00 0.05 0.00 0.00 27.48 27.52 3gff h GLN 278 CO -0.02 0.69 -1.11 0.28 -1.50 0.00 0.00 178.83 177.17 3gff h VAL 279 N 1.07 1.28 -0.31 -0.54 2.07 -1.41 -1.38 116.25 117.03 3gff h VAL 279 Ca 0.44 -2.32 0.06 0.00 0.82 0.00 0.00 66.70 65.70 3gff h VAL 279 Cb 0.29 2.50 -0.06 0.00 -1.52 0.00 0.00 31.29 32.50 3gff h VAL 279 CO -0.19 0.71 -0.06 0.40 0.02 0.00 0.00 177.57 178.46 3gff h ILE 280 N 0.34 0.71 -0.16 4.57 2.04 -0.85 0.35 117.51 124.52 3gff h ILE 280 Ca -0.15 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3gff h ILE 280 Cb 1.77 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 3gff h ILE 280 CO 0.22 0.00 0.05 0.44 0.00 0.00 0.00 178.15 178.86 3gff h ASP 281 N 0.02 0.24 -0.49 1.72 3.32 -1.01 -0.50 116.42 119.71 3gff h ASP 281 Ca 0.15 -0.20 0.10 0.00 0.02 0.00 0.00 57.03 57.10 3gff h ASP 281 Cb 0.22 -0.06 -0.10 0.00 0.22 0.00 0.00 39.33 39.61 3gff h ASP 281 CO -0.30 0.38 -0.15 -0.61 -1.72 0.00 0.00 179.24 176.83 3gff h GLN 282 N 0.08 -0.03 0.00 3.56 4.15 -0.95 0.19 115.11 122.11 3gff h GLN 282 Ca 0.05 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.44 3gff h GLN 282 Cb 0.22 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 3gff h GLN 282 CO -0.00 -0.02 -0.17 1.88 -1.93 0.00 0.00 178.83 178.58 3gff h TYR 283 N -0.04 0.00 -0.51 3.99 -1.99 -0.72 -2.16 116.97 115.55 3gff h TYR 283 Ca 0.24 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.91 3gff h TYR 283 Cb 0.40 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.11 3gff h TYR 283 CO -0.44 0.17 0.09 0.78 -0.00 0.00 0.00 178.16 178.76 3gff h GLY 284 N 2.45 0.90 0.91 3.88 0.00 0.66 -0.18 103.07 111.68 3gff h GLY 284 Ca -0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 3gff h GLY 284 CO 0.02 0.55 0.06 -2.08 0.00 0.00 0.00 176.54 175.09 3gff h VAL 285 N 0.71 1.23 -0.62 4.60 2.07 -0.82 -1.57 116.25 121.86 3gff h VAL 285 Ca 0.15 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.88 3gff h VAL 285 Cb 0.39 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3gff h VAL 285 CO 0.01 0.27 0.41 -0.07 0.02 0.00 0.00 177.57 178.20 3gff h LEU 286 N 0.39 0.70 -0.80 2.57 3.38 -1.26 -0.65 115.31 119.65 3gff h LEU 286 Ca 0.10 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.09 3gff h LEU 286 Cb 0.33 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3gff h LEU 286 CO 0.00 0.51 0.51 0.28 0.09 0.00 0.00 178.44 179.83 3gff h SER 287 N 0.83 0.85 0.22 -0.43 0.02 -0.80 -0.10 113.55 114.14 3gff h SER 287 Ca 0.23 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 3gff h SER 287 Cb -0.09 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 3gff h SER 287 CO -0.05 0.59 -0.46 -0.33 -1.14 0.00 0.00 176.83 175.43 3gff h GLU 288 N 1.00 0.29 -0.16 3.45 5.08 -0.78 -1.38 114.58 122.09 3gff h GLU 288 Ca 0.32 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 3gff h GLU 288 Cb 0.00 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3gff h GLU 288 CO -0.11 0.70 -0.21 -0.09 -1.00 0.00 0.00 179.01 178.30 3gff h ARG 289 N 0.24 0.42 -0.00 2.33 2.43 -0.47 -3.04 114.38 116.29 3gff h ARG 289 Ca 0.02 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 3gff h ARG 289 Cb 0.90 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3gff h ARG 289 CO 0.07 0.82 -0.01 1.19 -1.51 0.00 0.00 179.97 180.54 3gff n PHE 290 N -4.47 0.00 -1.38 2.20 3.01 -0.11 -4.45 117.46 112.26 3gff n PHE 290 Ca -0.06 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.27 3gff n PHE 290 Cb 0.41 -0.25 -0.06 0.00 -0.01 0.00 0.00 39.48 39.57 3gff n PHE 290 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gff n GLY 291 N 1.26 1.28 3.28 1.37 0.00 -0.55 -4.90 105.19 106.92 3gff n GLY 291 Ca 0.15 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 3gff n GLY 291 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gff s HIS 292 N -2.19 -0.24 0.03 1.61 3.76 -0.99 -5.03 115.29 112.24 3gff s HIS 292 Ca 0.00 0.32 -0.36 0.00 -0.15 0.00 0.00 55.06 54.87 3gff s HIS 292 Cb 0.00 0.15 -0.15 0.00 1.11 0.00 0.00 32.58 33.69 3gff s HIS 292 CO 0.00 -0.45 1.57 1.17 -0.85 0.00 0.00 174.74 176.18 3gff n LYS 293 N 1.05 1.68 -4.41 1.40 4.81 -1.26 -4.36 118.16 117.07 3gff n LYS 293 Ca -0.21 0.61 -0.24 0.00 -0.87 0.00 0.00 58.31 57.60 3gff n LYS 293 Cb 0.57 -2.34 -0.17 0.00 0.02 0.00 0.00 35.03 33.12 3gff n LYS 293 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3gff s VAL 294 N 1.65 1.05 0.05 3.15 1.01 -1.26 -4.92 120.40 121.13 3gff s VAL 294 Ca 0.86 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.47 3gff s VAL 294 Cb -0.83 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 3gff s VAL 294 CO 0.47 0.34 -0.10 0.42 0.00 0.00 0.00 175.10 176.23 3gff s THR 295 N 0.88 0.76 0.31 3.92 -4.23 -1.26 -4.62 115.64 111.40 3gff s THR 295 Ca -0.11 -1.16 -0.29 0.00 -1.18 0.00 0.00 61.69 58.95 3gff s THR 295 Cb -0.15 -0.78 -0.12 0.00 1.34 0.00 0.00 72.50 72.79 3gff s THR 295 CO 0.01 -0.32 1.46 -2.65 -0.54 0.00 0.00 174.62 172.58 3gff n PRO 296 N 1.41 2.41 -1.66 3.99 -0.02 -1.26 -4.88 135.00 134.99 3gff n PRO 296 Ca -0.22 0.85 -0.48 0.00 -2.02 0.00 0.00 63.50 61.63 3gff n PRO 296 Cb 0.54 -2.55 -0.05 0.00 -0.02 0.00 0.00 33.50 31.43 3gff n PRO 296 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3gff n SER 297 N 1.47 2.86 -0.25 2.55 2.88 -1.26 -4.91 113.62 116.96 3gff n SER 297 Ca 0.07 1.07 0.01 0.00 -1.33 0.00 0.00 58.87 58.68 3gff n SER 297 Cb 0.36 -1.36 0.13 0.00 -0.75 0.00 0.00 64.21 62.59 3gff n SER 297 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3gff h GLN 298 N 6.29 0.66 -0.32 -1.46 5.75 -1.95 -1.64 115.11 122.45 3gff h GLN 298 Ca -0.46 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.00 3gff h GLN 298 Cb 1.27 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.66 3gff h GLN 298 CO 0.88 0.44 0.19 1.96 -2.65 0.00 0.00 178.83 179.65 3gff h GLN 299 N 0.68 0.43 -0.24 1.69 4.20 -1.99 -2.19 115.11 117.69 3gff h GLN 299 Ca 0.34 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 59.04 3gff h GLN 299 Cb 0.30 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 3gff h GLN 299 CO -0.23 0.32 0.07 -0.92 -0.67 0.00 0.00 178.83 177.41 3gff h TYR 300 N 0.41 0.13 -0.31 2.96 3.20 -1.87 0.38 116.97 121.87 3gff h TYR 300 Ca 0.11 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.01 3gff h TYR 300 Cb -0.00 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3gff h TYR 300 CO -0.04 0.06 0.16 -0.07 -1.64 0.00 0.00 178.16 176.63 3gff h LEU 301 N 0.18 0.25 -1.41 2.82 3.38 -1.25 -0.79 115.31 118.50 3gff h LEU 301 Ca 0.10 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3gff h LEU 301 Cb 0.08 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3gff h LEU 301 CO -0.11 0.19 0.41 -0.33 0.09 0.00 0.00 178.44 178.68 3gff h GLU 302 N 0.34 0.78 -0.10 1.13 4.39 -1.05 -0.03 114.58 120.04 3gff h GLU 302 Ca 0.12 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 3gff h GLU 302 Cb 0.02 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.49 3gff h GLU 302 CO -0.07 0.51 0.03 1.96 -1.16 0.00 0.00 179.01 180.28 3gff h GLN 303 N 0.80 0.15 -0.64 2.33 4.20 -0.18 -2.16 115.11 119.60 3gff h GLN 303 Ca 0.23 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 3gff h GLN 303 Cb -0.05 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 3gff h GLN 303 CO -0.05 0.29 0.40 -0.07 -0.67 0.00 0.00 178.83 178.72 3gff h LEU 304 N -0.02 0.77 -0.63 1.46 3.38 -0.38 -1.90 115.31 117.99 3gff h LEU 304 Ca 0.03 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3gff h LEU 304 Cb 0.20 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3gff h LEU 304 CO -0.00 0.59 0.14 0.40 0.09 0.00 0.00 178.44 179.66 3gff h ILE 305 N 0.87 1.26 -0.19 1.22 2.04 -1.02 -1.51 117.51 120.17 3gff h ILE 305 Ca 0.23 -0.95 -0.15 0.00 1.00 0.00 0.00 64.86 64.99 3gff h ILE 305 Cb -0.04 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3gff h ILE 305 CO -0.04 0.36 -0.49 1.56 0.00 0.00 0.00 178.15 179.53 3gff h GLN 306 N 0.93 0.52 0.59 2.37 7.50 -1.27 0.73 115.11 126.48 3gff h GLN 306 Ca 0.20 -0.30 -0.03 0.00 0.50 0.00 0.00 58.65 59.02 3gff h GLN 306 Cb 0.38 0.02 0.01 0.00 0.05 0.00 0.00 27.48 27.94 3gff h GLN 306 CO 0.01 0.89 -0.28 1.88 -1.50 0.00 0.00 178.83 179.82 3gff h TYR 307 N 0.41 -0.73 -0.58 2.96 -1.99 -1.28 0.21 116.97 115.96 3gff h TYR 307 Ca 0.02 -0.02 0.12 0.00 2.00 0.00 0.00 58.73 60.85 3gff h TYR 307 Cb 1.00 0.24 -0.11 0.00 2.00 0.00 0.00 36.73 39.87 3gff h TYR 307 CO 0.04 -0.41 -0.16 0.77 -0.00 0.00 0.00 178.16 178.41 3gff h SER 308 N -0.94 -0.57 -0.53 3.88 0.02 -1.21 0.47 113.55 114.67 3gff h SER 308 Ca -0.08 0.18 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 3gff h SER 308 Cb 0.65 0.37 -0.04 0.00 0.14 0.00 0.00 62.40 63.53 3gff h SER 308 CO 0.13 -0.20 0.30 -2.24 -1.14 0.00 0.00 176.83 173.69 3gff h ASP 309 N -0.01 0.48 0.18 3.07 2.03 0.62 0.57 116.42 123.36 3gff h ASP 309 Ca 0.28 0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.58 3gff h ASP 309 Cb 0.43 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 3gff h ASP 309 CO -0.60 0.33 -0.09 -0.09 -1.03 0.00 0.00 179.24 177.76 3gff h ARG 310 N 0.60 -0.23 -0.95 4.15 1.12 0.67 -3.09 114.38 116.63 3gff h ARG 310 Ca 0.22 0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 59.08 3gff h ARG 310 Cb 0.06 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.06 3gff h ARG 310 CO -0.12 -0.04 0.03 1.04 -3.11 0.00 0.00 179.97 177.77 3gff n GLN 311 N -5.13 1.50 -2.85 0.20 1.13 0.15 -4.85 117.38 107.53 3gff n GLN 311 Ca -0.09 -0.48 -0.14 0.00 -1.94 0.00 0.00 57.00 54.35 3gff n GLN 311 Cb 0.17 -1.51 -0.01 0.00 0.11 0.00 0.00 30.24 29.01 3gff n GLN 311 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3gff n GLN 312 N 0.14 -2.73 -2.06 -1.09 1.13 -0.76 -4.80 117.38 107.22 3gff n GLN 312 Ca 0.06 0.40 -0.32 0.00 -1.94 0.00 0.00 57.00 55.20 3gff n GLN 312 Cb 0.47 -5.01 -0.04 0.00 0.11 0.00 0.00 30.24 25.77 3gff n GLN 312 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3gff s LEU 313 N -5.83 3.22 0.00 1.08 2.01 0.12 -4.94 118.68 114.34 3gff s LEU 313 Ca 0.17 -0.26 0.00 0.00 0.01 0.00 0.00 54.13 54.04 3gff s LEU 313 Cb -0.09 -2.55 0.00 0.00 0.01 0.00 0.00 46.19 43.56 3gff s LEU 313 CO 0.21 -2.57 0.00 1.07 1.01 0.00 0.00 176.35 176.07 3gff n THR 314 N 7.57 0.00 -0.63 5.49 5.66 -1.26 -2.42 114.28 128.69 3gff n THR 314 Ca 0.31 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.39 3gff n THR 314 Cb 0.49 0.00 0.36 0.00 -1.55 0.00 0.00 70.33 69.63 3gff n THR 314 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3gff n GLU 315 N 3.75 4.20 -0.27 1.09 1.02 -1.26 -4.30 120.64 124.88 3gff n GLU 315 Ca 0.00 -2.81 -0.04 0.00 -0.02 0.00 0.00 57.16 54.29 3gff n GLU 315 Cb 0.00 -2.08 0.07 0.00 -0.02 0.00 0.00 31.44 29.42 3gff n GLU 315 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gff h ARG 316 N 3.73 0.93 -0.11 3.49 3.08 -1.89 -1.40 114.38 122.22 3gff h ARG 316 Ca 0.00 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.03 3gff h ARG 316 Cb 1.68 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 31.48 3gff h ARG 316 CO 0.37 0.62 -0.14 0.87 -1.07 0.00 0.00 179.97 180.61 3gff h LYS 317 N 0.96 -0.18 -0.40 0.04 1.79 -1.71 0.38 116.57 117.45 3gff h LYS 317 Ca 0.28 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 3gff h LYS 317 Cb -0.05 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 3gff h LYS 317 CO -0.08 -0.12 0.00 0.00 -1.08 0.00 0.00 179.45 178.17 3gff n GLN 318 N -5.29 0.00 0.00 3.15 0.00 -0.53 0.45 117.38 115.17 3gff n GLN 318 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.97 3gff n GLN 318 Cb 0.20 -1.05 0.00 0.00 0.00 0.00 0.00 30.24 29.40 3gff n GLN 318 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3gff n LEU 320 N 0.56 0.00 -0.00 2.61 4.77 0.13 0.45 117.00 125.52 3gff n LEU 320 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 3gff n LEU 320 Cb 0.00 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 41.50 3gff n LEU 320 CO 0.00 0.00 1.15 -0.33 -1.33 0.00 0.00 177.39 176.88 3gff h GLU 321 N 0.00 0.55 -0.11 3.23 5.08 -0.21 0.83 114.58 123.94 3gff h GLU 321 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3gff h GLU 321 Cb 0.00 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 3gff h GLU 321 CO 0.00 0.37 0.02 0.78 -1.00 0.00 0.00 179.01 179.18 3gff h GLY 322 N 0.58 0.19 0.48 -3.84 0.00 -0.23 -1.06 103.07 99.19 3gff h GLY 322 Ca 0.15 -0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.41 3gff h GLY 322 CO -0.03 0.12 -0.06 1.41 0.00 0.00 0.00 176.54 177.98 3gff h LEU 323 N -0.05 -0.23 -0.60 3.11 4.07 -1.62 -1.85 115.31 118.14 3gff h LEU 323 Ca 0.03 0.08 0.12 0.00 0.08 0.00 0.00 57.88 58.19 3gff h LEU 323 Cb 0.28 0.16 -0.10 0.00 1.08 0.00 0.00 40.66 42.08 3gff h LEU 323 CO 0.00 -0.08 -0.02 0.03 -1.08 0.00 0.00 178.44 177.30 3gff h ARG 324 N 0.01 0.10 -0.06 1.13 -0.00 0.11 -2.59 114.38 113.08 3gff h ARG 324 Ca 0.13 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.59 3gff h ARG 324 Cb 0.19 -0.02 -0.00 0.00 0.00 0.00 0.00 29.97 30.14 3gff h ARG 324 CO -0.27 0.07 0.00 -0.56 0.00 0.00 0.00 179.97 179.21 3gff h GLN 325 N 0.10 0.10 -0.83 0.04 3.07 -0.90 -3.21 115.11 113.49 3gff h GLN 325 Ca 0.31 -0.03 0.20 0.00 0.09 0.00 0.00 58.65 59.22 3gff h GLN 325 Cb 0.50 -0.01 -0.13 0.00 0.08 0.00 0.00 27.48 27.92 3gff h GLN 325 CO -0.52 0.36 0.24 1.25 0.09 0.00 0.00 178.83 180.24 3gff h HIS 326 N -0.18 0.37 -0.21 0.06 6.17 -0.97 0.50 115.15 120.88 3gff h HIS 326 Ca 0.02 0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.14 3gff h HIS 326 Cb 0.31 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.21 3gff h HIS 326 CO 0.03 -0.13 0.00 1.19 0.71 0.00 0.00 177.93 179.73 3gff n PHE 327 N -5.17 0.28 0.74 5.26 3.72 -1.03 -5.12 117.46 116.14 3gff n PHE 327 Ca 0.19 -0.14 0.09 0.00 -0.05 0.00 0.00 57.45 57.53 3gff n PHE 327 Cb 0.58 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.20 3gff n PHE 327 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71