#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gb4 s THR 3 N 0.00 4.75 0.19 0.00 -4.23 -1.26 -5.05 115.64 110.04 3gb4 s THR 3 Ca 0.00 -1.78 0.08 0.00 -1.18 0.00 0.00 61.69 58.82 3gb4 s THR 3 Cb 0.00 -4.07 -0.04 0.00 1.34 0.00 0.00 72.50 69.73 3gb4 s THR 3 CO 0.00 -0.84 -0.17 -0.36 -0.54 0.00 0.00 174.62 172.71 3gb4 s PHE 4 N 1.29 1.78 -0.71 3.99 0.40 -1.26 -5.08 117.98 118.40 3gb4 s PHE 4 Ca 0.06 -0.51 -0.17 0.00 -0.60 0.00 0.00 56.93 55.72 3gb4 s PHE 4 Cb -0.26 -0.86 0.15 0.00 0.51 0.00 0.00 43.02 42.56 3gb4 s PHE 4 CO -0.00 0.36 0.74 0.08 0.70 0.00 0.00 175.22 177.10 3gb4 s VAL 5 N -2.46 5.16 0.16 -0.44 1.01 -1.26 -4.89 120.40 117.68 3gb4 s VAL 5 Ca 0.19 -1.68 0.13 0.00 0.00 0.00 0.00 61.98 60.62 3gb4 s VAL 5 Cb -0.04 -4.49 0.00 0.00 0.00 0.00 0.00 36.38 31.85 3gb4 s VAL 5 CO 0.07 -1.09 1.57 0.03 0.00 0.00 0.00 175.10 175.67 3gb4 h ARG 6 N 8.61 0.00 -4.28 2.72 3.08 -1.95 -3.38 114.38 119.17 3gb4 h ARG 6 Ca -0.10 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.22 3gb4 h ARG 6 Cb 1.07 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.99 3gb4 h ARG 6 CO 0.97 0.60 2.11 0.09 -1.07 0.00 0.00 179.97 182.67 3gb4 n ASN 7 N -3.57 4.85 -3.53 7.04 3.02 -1.26 -1.16 115.26 120.66 3gb4 n ASN 7 Ca -0.00 -2.99 -0.08 0.00 -0.03 0.00 0.00 54.58 51.48 3gb4 n ASN 7 Cb 0.66 -1.58 -0.02 0.00 -0.61 0.00 0.00 39.78 38.23 3gb4 n ASN 7 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gb4 s ALA 8 N 1.83 -1.88 -0.00 5.41 0.00 -1.26 -5.03 121.76 120.82 3gb4 s ALA 8 Ca 0.44 1.17 -0.21 0.00 0.00 0.00 0.00 51.96 53.36 3gb4 s ALA 8 Cb 0.06 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.38 3gb4 s ALA 8 CO -0.00 -0.65 0.60 -1.58 0.00 0.00 0.00 175.76 174.13 3gb4 s TRP 9 N -2.88 3.68 0.10 0.00 0.52 -1.26 -4.18 118.94 114.92 3gb4 s TRP 9 Ca 0.06 1.21 0.06 0.00 0.02 0.00 0.00 56.10 57.44 3gb4 s TRP 9 Cb -0.01 -2.62 -0.03 0.00 -1.15 0.00 0.00 33.47 29.65 3gb4 s TRP 9 CO -0.08 0.34 -0.14 0.71 0.02 0.00 0.00 176.95 177.80 3gb4 s TYR 10 N -0.15 1.34 -0.05 -1.98 1.51 -0.36 -4.92 117.35 112.74 3gb4 s TYR 10 Ca 0.31 -0.51 -0.27 0.00 -1.01 0.00 0.00 57.07 55.60 3gb4 s TYR 10 Cb -0.18 -0.73 -0.03 0.00 -0.11 0.00 0.00 41.96 40.91 3gb4 s TYR 10 CO 0.17 0.10 0.85 0.08 -1.11 0.00 0.00 175.55 175.65 3gb4 s VAL 11 N -1.69 4.94 -0.06 0.71 1.01 -1.26 -0.07 120.40 123.98 3gb4 s VAL 11 Ca 0.04 1.76 0.17 0.00 0.00 0.00 0.00 61.98 63.94 3gb4 s VAL 11 Cb -0.07 -4.19 -0.25 0.00 0.00 0.00 0.00 36.38 31.87 3gb4 s VAL 11 CO 0.03 0.17 0.30 0.00 0.00 0.00 0.00 175.10 175.60 3gb4 n ALA 12 N 4.06 2.40 -3.69 5.51 0.00 0.14 -4.76 120.51 124.17 3gb4 n ALA 12 Ca 0.03 -0.56 -0.02 0.00 0.00 0.00 0.00 53.44 52.89 3gb4 n ALA 12 Cb 0.51 -0.47 -0.01 0.00 0.00 0.00 0.00 19.45 19.47 3gb4 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gb4 s ALA 13 N -3.01 -1.87 0.02 0.00 0.00 -1.24 -5.05 121.76 110.61 3gb4 s ALA 13 Ca -0.07 0.43 -0.04 0.00 0.00 0.00 0.00 51.96 52.29 3gb4 s ALA 13 Cb 0.10 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 3gb4 s ALA 13 CO 0.70 -1.00 0.24 -0.51 0.00 0.00 0.00 175.76 175.19 3gb4 s LEU 14 N -2.89 4.36 0.29 0.00 1.43 -1.26 -1.83 118.68 118.78 3gb4 s LEU 14 Ca 0.12 0.45 0.05 0.00 -1.03 0.00 0.00 54.13 53.72 3gb4 s LEU 14 Cb 0.01 -2.76 0.73 0.00 0.03 0.00 0.00 46.19 44.19 3gb4 s LEU 14 CO -0.01 0.22 1.74 -0.65 0.23 0.00 0.00 176.35 177.88 3gb4 h PRO 15 N 3.67 0.56 0.00 1.29 0.11 -1.90 -0.65 132.00 135.08 3gb4 h PRO 15 Ca -0.48 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3gb4 h PRO 15 Cb 1.18 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gb4 h PRO 15 CO 0.69 0.37 -0.01 1.05 -0.21 0.00 0.00 178.00 179.89 3gb4 h GLU 16 N 0.57 0.00 0.00 1.05 9.09 -1.94 -2.02 114.58 121.33 3gb4 h GLU 16 Ca 0.56 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.96 3gb4 h GLU 16 Cb 0.98 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.07 3gb4 h GLU 16 CO -0.45 0.01 -0.08 0.93 0.05 0.00 0.00 179.01 179.47 3gb4 h GLU 17 N 0.00 0.00 -6.21 1.06 5.08 -1.51 -3.46 114.58 109.53 3gb4 h GLU 17 Ca -0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 3gb4 h GLU 17 Cb 0.16 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3gb4 h GLU 17 CO 0.00 0.08 -0.27 -0.51 -1.00 0.00 0.00 179.01 177.31 3gb4 s LEU 18 N -6.28 4.25 0.00 1.33 1.43 -0.76 -4.93 118.68 113.73 3gb4 s LEU 18 Ca 0.05 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 3gb4 s LEU 18 Cb 0.06 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.92 3gb4 s LEU 18 CO 0.66 0.03 0.00 -1.54 0.23 0.00 0.00 176.35 175.73 3gb4 n SER 19 N 0.07 0.00 0.17 2.29 3.41 -1.26 -4.85 113.62 113.46 3gb4 n SER 19 Ca -0.02 -0.52 0.13 0.00 -0.26 0.00 0.00 58.87 58.21 3gb4 n SER 19 Cb 0.52 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.99 3gb4 n SER 19 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3gb4 h GLU 20 N 0.00 0.00 -5.50 4.33 5.08 -1.95 -0.67 114.58 115.87 3gb4 h GLU 20 Ca 0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 3gb4 h GLU 20 Cb 0.00 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.12 3gb4 h GLU 20 CO 0.00 0.00 0.16 0.21 -1.00 0.00 0.00 179.01 178.38 3gb4 s LYS 21 N -3.38 3.63 0.40 2.33 2.20 -1.26 -4.44 119.74 119.22 3gb4 s LYS 21 Ca 0.04 0.02 -0.25 0.00 -0.36 0.00 0.00 55.97 55.42 3gb4 s LYS 21 Cb 0.09 -3.83 -0.11 0.00 -1.51 0.00 0.00 37.83 32.48 3gb4 s LYS 21 CO 0.46 -0.78 1.05 -2.30 -0.36 0.00 0.00 175.35 173.42 3gb4 n PRO 22 N 6.11 1.45 -4.11 4.03 -0.02 -1.26 -4.88 135.00 136.31 3gb4 n PRO 22 Ca -0.01 0.52 -0.35 0.00 -2.02 0.00 0.00 63.50 61.64 3gb4 n PRO 22 Cb 0.48 -2.06 -0.14 0.00 -0.02 0.00 0.00 33.50 31.77 3gb4 n PRO 22 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gb4 s LEU 23 N -0.53 2.98 -0.23 2.45 2.96 0.11 -4.90 118.68 121.52 3gb4 s LEU 23 Ca 0.62 -0.32 -0.16 0.00 -0.22 0.00 0.00 54.13 54.05 3gb4 s LEU 23 Cb -0.57 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 3gb4 s LEU 23 CO 0.58 0.04 0.42 -0.83 -1.32 0.00 0.00 176.35 175.24 3gb4 s GLY 24 N 1.12 2.00 -0.08 7.98 0.00 -1.26 -0.72 107.32 116.36 3gb4 s GLY 24 Ca 0.02 -0.60 -0.10 0.00 0.00 0.00 0.00 44.72 44.04 3gb4 s GLY 24 CO -0.00 0.94 0.26 -1.60 0.00 0.00 0.00 173.10 172.70 3gb4 s ARG 25 N 1.68 0.37 -0.20 2.90 3.52 -0.66 -4.98 118.95 121.57 3gb4 s ARG 25 Ca 0.19 0.23 -0.11 0.00 -0.13 0.00 0.00 55.73 55.91 3gb4 s ARG 25 Cb -0.15 0.17 -0.05 0.00 -1.56 0.00 0.00 34.95 33.36 3gb4 s ARG 25 CO 0.09 -0.06 0.16 0.99 -0.81 0.00 0.00 175.30 175.67 3gb4 s THR 26 N -0.18 5.38 -0.12 4.11 2.01 -1.26 -0.08 115.64 125.50 3gb4 s THR 26 Ca -0.03 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.22 3gb4 s THR 26 Cb -0.03 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 69.00 3gb4 s THR 26 CO 0.01 0.41 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.59 3gb4 s ILE 27 N 0.54 1.40 -1.37 1.82 -1.09 0.17 -4.52 121.20 118.16 3gb4 s ILE 27 Ca 0.09 -0.55 -0.00 0.00 -2.23 0.00 0.00 60.65 57.95 3gb4 s ILE 27 Cb -0.12 -1.32 -0.00 0.00 -1.58 0.00 0.00 42.46 39.44 3gb4 s ILE 27 CO 0.00 0.43 0.52 0.18 -1.23 0.00 0.00 174.94 174.84 3gb4 n LEU 28 N 4.55 -2.54 -0.70 2.97 4.77 -0.41 -0.73 117.00 124.91 3gb4 n LEU 28 Ca -0.17 -0.95 -0.09 0.00 -0.03 0.00 0.00 56.01 54.77 3gb4 n LEU 28 Cb 0.51 -2.38 -0.04 0.00 -2.33 0.00 0.00 43.42 39.18 3gb4 n LEU 28 CO 0.22 0.42 -0.09 0.47 -1.33 0.00 0.00 177.39 177.08 3gb4 n ASP 29 N -3.01 -5.54 -4.25 -1.43 8.00 0.55 -4.96 116.55 105.91 3gb4 n ASP 29 Ca -0.30 0.23 -0.35 0.00 0.71 0.00 0.00 54.79 55.08 3gb4 n ASP 29 Cb 0.68 -3.85 -0.14 0.00 -0.02 0.00 0.00 41.12 37.79 3gb4 n ASP 29 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3gb4 s THR 30 N -1.86 3.09 -0.09 -3.53 2.01 0.09 -5.09 115.64 110.26 3gb4 s THR 30 Ca 0.00 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 60.98 3gb4 s THR 30 Cb 0.00 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 3gb4 s THR 30 CO 0.00 0.35 1.11 -2.16 -0.69 0.00 0.00 174.62 173.24 3gb4 s PRO 31 N 1.41 4.37 0.18 4.92 0.04 -1.26 -0.66 135.00 144.00 3gb4 s PRO 31 Ca 0.04 1.54 0.10 0.00 0.04 0.00 0.00 61.00 62.71 3gb4 s PRO 31 Cb -0.15 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.78 3gb4 s PRO 31 CO -0.05 -0.42 -0.14 -0.51 0.04 0.00 0.00 177.00 175.93 3gb4 s LEU 32 N 2.25 2.81 -0.29 -3.56 1.43 0.88 -0.38 118.68 121.82 3gb4 s LEU 32 Ca 0.52 -0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3gb4 s LEU 32 Cb -0.21 -1.52 0.05 0.00 0.03 0.00 0.00 46.19 44.54 3gb4 s LEU 32 CO 0.19 0.12 -0.04 0.00 0.23 0.00 0.00 176.35 176.85 3gb4 s ALA 33 N -1.63 2.73 -0.14 4.21 0.00 0.65 -1.66 121.76 125.91 3gb4 s ALA 33 Ca 0.23 -1.75 -0.03 0.00 0.00 0.00 0.00 51.96 50.42 3gb4 s ALA 33 Cb -0.09 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.19 3gb4 s ALA 33 CO 0.13 -1.23 -0.06 -0.51 0.00 0.00 0.00 175.76 174.10 3gb4 s LEU 34 N 1.21 3.14 0.17 0.00 1.43 0.10 -1.80 118.68 122.94 3gb4 s LEU 34 Ca -0.06 -0.16 -0.22 0.00 -1.03 0.00 0.00 54.13 52.66 3gb4 s LEU 34 Cb -0.20 -1.74 0.06 0.00 0.03 0.00 0.00 46.19 44.34 3gb4 s LEU 34 CO -0.02 0.18 0.59 -0.72 0.23 0.00 0.00 176.35 176.61 3gb4 s TYR 35 N 0.28 -0.45 -0.24 0.29 -0.85 -0.93 0.09 117.35 115.55 3gb4 s TYR 35 Ca -0.05 0.20 -0.08 0.00 -0.52 0.00 0.00 57.07 56.62 3gb4 s TYR 35 Cb -0.14 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 3gb4 s TYR 35 CO 0.03 -0.88 0.09 0.50 -1.52 0.00 0.00 175.55 173.78 3gb4 s ARG 36 N -3.78 3.79 0.88 -3.49 3.52 -0.26 -0.45 118.95 119.17 3gb4 s ARG 36 Ca 0.03 -0.41 -0.12 0.00 -0.13 0.00 0.00 55.73 55.09 3gb4 s ARG 36 Cb -0.01 -3.35 0.12 0.00 -1.56 0.00 0.00 34.95 30.15 3gb4 s ARG 36 CO -0.10 -0.06 1.10 -0.65 -0.81 0.00 0.00 175.30 174.78 3gb4 s GLN 37 N 1.29 1.36 0.53 5.12 -0.21 0.13 -3.99 119.66 123.89 3gb4 s GLN 37 Ca 0.05 0.67 0.24 0.00 0.02 0.00 0.00 55.36 56.34 3gb4 s GLN 37 Cb -0.15 -1.83 1.39 0.00 1.00 0.00 0.00 33.01 33.42 3gb4 s GLN 37 CO 0.04 -2.13 2.03 -1.00 -2.12 0.00 0.00 175.29 172.11 3gb4 h PRO 38 N -1.46 0.00 -0.00 2.91 0.13 -1.88 0.15 132.00 131.85 3gb4 h PRO 38 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3gb4 h PRO 38 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3gb4 h PRO 38 CO 0.57 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.94 3gb4 n ASP 39 N -4.37 0.00 0.00 1.44 3.85 -1.26 -4.87 116.55 111.34 3gb4 n ASP 39 Ca 0.07 -1.18 0.00 0.00 -0.71 0.00 0.00 54.79 52.97 3gb4 n ASP 39 Cb 0.50 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.27 3gb4 n ASP 39 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3gb4 n GLY 40 N 0.91 0.87 3.76 6.12 0.00 0.52 -5.05 105.19 112.32 3gb4 n GLY 40 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3gb4 n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gb4 s VAL 41 N -2.92 4.84 0.28 1.61 1.01 -1.26 -4.74 120.40 119.23 3gb4 s VAL 41 Ca 0.00 1.38 -0.28 0.00 0.00 0.00 0.00 61.98 63.08 3gb4 s VAL 41 Cb 0.00 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 3gb4 s VAL 41 CO 0.00 0.40 0.97 -0.69 0.00 0.00 0.00 175.10 175.78 3gb4 s VAL 42 N -0.17 4.03 0.09 2.92 1.01 -1.26 -0.69 120.40 126.32 3gb4 s VAL 42 Ca 0.34 1.88 0.08 0.00 0.00 0.00 0.00 61.98 64.28 3gb4 s VAL 42 Cb -0.19 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 3gb4 s VAL 42 CO 0.19 0.33 -0.21 0.00 0.00 0.00 0.00 175.10 175.41 3gb4 s ALA 43 N -1.36 1.78 -0.19 5.51 0.00 0.40 -4.93 121.76 122.97 3gb4 s ALA 43 Ca 0.46 -1.20 -0.03 0.00 0.00 0.00 0.00 51.96 51.18 3gb4 s ALA 43 Cb -0.24 -0.26 0.06 0.00 0.00 0.00 0.00 23.12 22.68 3gb4 s ALA 43 CO 0.30 0.36 0.05 0.00 0.00 0.00 0.00 175.76 176.47 3gb4 s ALA 44 N -1.09 0.86 0.17 0.00 0.00 -1.26 -2.20 121.76 118.24 3gb4 s ALA 44 Ca 0.06 -0.62 0.10 0.00 0.00 0.00 0.00 51.96 51.50 3gb4 s ALA 44 Cb -0.10 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 3gb4 s ALA 44 CO 0.04 -1.19 -0.15 -0.51 0.00 0.00 0.00 175.76 173.95 3gb4 s LEU 45 N 1.93 2.79 0.11 0.00 1.43 -0.74 -0.97 118.68 123.22 3gb4 s LEU 45 Ca 0.00 -0.65 -0.31 0.00 -1.03 0.00 0.00 54.13 52.14 3gb4 s LEU 45 Cb -0.17 -1.51 -0.09 0.00 0.03 0.00 0.00 46.19 44.45 3gb4 s LEU 45 CO -0.09 0.12 1.64 -0.22 0.23 0.00 0.00 176.35 178.03 3gb4 s LEU 46 N -2.66 4.37 -0.18 1.79 2.96 -0.45 -0.26 118.68 124.26 3gb4 s LEU 46 Ca 0.22 2.56 -0.06 0.00 -0.22 0.00 0.00 54.13 56.64 3gb4 s LEU 46 Cb -0.09 -3.57 -0.21 0.00 0.50 0.00 0.00 46.19 42.82 3gb4 s LEU 46 CO 0.13 -0.88 3.13 -0.67 -1.32 0.00 0.00 176.35 176.74 3gb4 n ASP 47 N 5.05 4.91 -3.46 3.68 4.64 0.48 -4.67 116.55 127.18 3gb4 n ASP 47 Ca 0.15 -2.36 -0.17 0.00 -1.38 0.00 0.00 54.79 51.03 3gb4 n ASP 47 Cb 0.40 -1.25 -0.12 0.00 -1.04 0.00 0.00 41.12 39.11 3gb4 n ASP 47 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3gb4 s ILE 48 N 1.45 -0.37 0.23 5.18 1.01 -1.26 -4.18 121.20 123.26 3gb4 s ILE 48 Ca 0.58 -0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.73 3gb4 s ILE 48 Cb 0.26 -0.76 -0.10 0.00 0.01 0.00 0.00 42.46 41.86 3gb4 s ILE 48 CO -0.01 -0.26 1.51 0.00 0.00 0.00 0.00 174.94 176.19 3gb4 h PRO 50 N 5.50 0.00 0.00 0.00 0.11 -1.88 0.39 132.00 136.12 3gb4 h PRO 50 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gb4 h PRO 50 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3gb4 h PRO 50 CO 0.82 0.00 0.00 1.58 -0.21 0.00 0.00 178.00 180.19 3gb4 n HIS 51 N -3.62 0.00 -1.48 0.65 -0.00 -1.26 -4.69 115.22 104.81 3gb4 n HIS 51 Ca -0.03 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.21 3gb4 n HIS 51 Cb 0.09 -0.35 0.08 0.00 -0.12 0.00 0.00 29.99 29.69 3gb4 n HIS 51 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3gb4 n ARG 52 N -1.56 0.73 -1.16 1.57 1.74 -1.24 -5.03 116.66 111.72 3gb4 n ARG 52 Ca 0.00 -1.92 -0.05 0.00 -0.77 0.00 0.00 57.85 55.11 3gb4 n ARG 52 Cb 0.00 -1.07 -0.02 0.00 -1.02 0.00 0.00 32.46 30.35 3gb4 n ARG 52 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3gb4 n PHE 53 N -0.81 0.00 -1.52 -1.55 0.99 0.13 -4.96 117.46 109.73 3gb4 n PHE 53 Ca 0.09 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 57.21 3gb4 n PHE 53 Cb 0.67 -1.29 0.07 0.00 -1.00 0.00 0.00 39.48 37.93 3gb4 n PHE 53 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3gb4 s ALA 54 N -2.14 2.28 -0.33 4.37 0.00 -1.26 -4.23 121.76 120.45 3gb4 s ALA 54 Ca 0.00 0.58 -0.29 0.00 0.00 0.00 0.00 51.96 52.25 3gb4 s ALA 54 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3gb4 s ALA 54 CO 0.00 -1.60 1.30 -1.25 0.00 0.00 0.00 175.76 174.21 3gb4 s PRO 55 N -4.23 3.85 0.53 0.00 0.04 -1.26 -1.00 135.00 132.93 3gb4 s PRO 55 Ca 0.68 1.15 0.27 0.00 0.04 0.00 0.00 61.00 63.13 3gb4 s PRO 55 Cb -0.22 -3.90 1.46 0.00 0.04 0.00 0.00 34.50 31.88 3gb4 s PRO 55 CO 0.46 -1.21 2.09 -0.07 0.04 0.00 0.00 177.00 178.31 3gb4 h LEU 56 N 11.11 0.00 -1.38 -3.56 3.38 -1.89 -2.28 115.31 120.68 3gb4 h LEU 56 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3gb4 h LEU 56 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3gb4 h LEU 56 CO 1.05 0.11 0.00 0.77 0.09 0.00 0.00 178.44 180.46 3gb4 h SER 57 N 0.00 0.00 -0.12 -0.43 4.64 -1.89 -0.76 113.55 114.99 3gb4 h SER 57 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gb4 h SER 57 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3gb4 h SER 57 CO 0.01 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.44 3gb4 n ASP 58 N -2.52 1.80 -2.78 4.97 10.43 -0.86 -4.50 116.55 123.09 3gb4 n ASP 58 Ca 0.00 -1.67 -0.07 0.00 2.57 0.00 0.00 54.79 55.62 3gb4 n ASP 58 Cb 0.16 -0.07 0.04 0.00 1.84 0.00 0.00 41.12 43.09 3gb4 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3gb4 n GLY 59 N 1.18 0.72 3.30 0.44 0.00 -0.29 -4.75 105.19 105.80 3gb4 n GLY 59 Ca 0.17 -1.98 -0.16 0.00 0.00 0.00 0.00 46.02 44.05 3gb4 n GLY 59 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gb4 s ILE 60 N -0.79 1.14 0.09 -0.61 -4.36 -1.23 -4.60 121.20 110.85 3gb4 s ILE 60 Ca 0.20 -2.06 -0.28 0.00 -0.26 0.00 0.00 60.65 58.26 3gb4 s ILE 60 Cb -0.01 -2.14 -0.06 0.00 1.25 0.00 0.00 42.46 41.50 3gb4 s ILE 60 CO 0.14 -0.50 0.86 -0.76 0.24 0.00 0.00 174.94 174.92 3gb4 s LEU 61 N -3.26 4.49 -0.25 0.37 1.02 -1.26 -1.07 118.68 118.72 3gb4 s LEU 61 Ca 0.24 1.64 0.00 0.00 0.02 0.00 0.00 54.13 56.03 3gb4 s LEU 61 Cb 0.04 -3.42 0.07 0.00 0.02 0.00 0.00 46.19 42.90 3gb4 s LEU 61 CO 0.06 -0.01 -0.01 -0.69 0.02 0.00 0.00 176.35 175.72 3gb4 s VAL 62 N -0.12 1.31 -1.32 -1.59 1.01 0.26 -4.73 120.40 115.20 3gb4 s VAL 62 Ca 0.42 -1.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 3gb4 s VAL 62 Cb -0.22 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.46 3gb4 s VAL 62 CO 0.27 -0.25 1.14 0.59 0.00 0.00 0.00 175.10 176.85 3gb4 n ASN 63 N 4.73 -5.29 0.00 3.32 3.02 -1.26 -1.80 115.26 117.99 3gb4 n ASN 63 Ca -0.09 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 3gb4 n ASN 63 Cb 0.44 -5.04 0.00 0.00 -0.61 0.00 0.00 39.78 34.58 3gb4 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gb4 n GLY 64 N -1.80 1.37 3.53 7.41 0.00 -1.26 -5.01 105.19 109.43 3gb4 n GLY 64 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 3gb4 n GLY 64 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gb4 s HIS 65 N -3.79 2.77 -0.16 1.61 3.76 -0.74 -4.72 115.29 114.01 3gb4 s HIS 65 Ca 0.00 -0.11 -0.29 0.00 -0.15 0.00 0.00 55.06 54.50 3gb4 s HIS 65 Cb 0.00 -1.59 -0.02 0.00 1.11 0.00 0.00 32.58 32.08 3gb4 s HIS 65 CO 0.00 0.29 1.27 -1.17 -0.85 0.00 0.00 174.74 174.29 3gb4 s LEU 66 N -1.20 4.19 -0.22 0.89 2.96 -0.94 0.89 118.68 125.25 3gb4 s LEU 66 Ca 0.15 1.71 -0.10 0.00 -0.22 0.00 0.00 54.13 55.67 3gb4 s LEU 66 Cb -0.11 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.99 3gb4 s LEU 66 CO 0.05 -0.76 0.15 -1.58 -1.32 0.00 0.00 176.35 172.89 3gb4 s GLN 67 N 3.44 4.14 0.21 1.98 0.74 -0.23 -1.27 119.66 128.66 3gb4 s GLN 67 Ca 0.55 -0.23 -0.31 0.00 0.05 0.00 0.00 55.36 55.43 3gb4 s GLN 67 Cb -0.22 -3.47 -0.10 0.00 1.10 0.00 0.00 33.01 30.32 3gb4 s GLN 67 CO 0.15 0.20 1.51 0.00 -0.55 0.00 0.00 175.29 176.60 3gb4 n PRO 69 N 3.15 0.02 -0.04 0.00 -0.04 -1.26 -2.38 135.00 134.45 3gb4 n PRO 69 Ca 0.10 0.22 -0.02 0.00 -0.04 0.00 0.00 63.50 63.76 3gb4 n PRO 69 Cb 0.39 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.35 3gb4 n PRO 69 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3gb4 h TYR 70 N 0.00 0.00 0.00 0.54 -0.00 -1.93 -3.44 116.97 112.14 3gb4 h TYR 70 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3gb4 h TYR 70 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.99 3gb4 h TYR 70 CO 0.00 0.00 -0.07 0.72 -0.00 0.00 0.00 178.16 178.81 3gb4 n HIS 71 N -3.68 0.00 -1.00 -3.82 8.25 -1.26 -5.04 115.22 108.68 3gb4 n HIS 71 Ca -0.03 -0.69 0.00 0.00 -0.26 0.00 0.00 57.72 56.74 3gb4 n HIS 71 Cb 0.12 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.13 3gb4 n HIS 71 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gb4 n GLY 72 N -0.94 0.56 3.77 -1.41 0.00 -1.00 -4.83 105.19 101.34 3gb4 n GLY 72 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3gb4 n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gb4 s LEU 73 N 0.00 4.15 -0.02 0.99 1.43 -1.26 -4.59 118.68 119.38 3gb4 s LEU 73 Ca 0.00 2.86 0.05 0.00 -1.03 0.00 0.00 54.13 56.01 3gb4 s LEU 73 Cb 0.00 -3.91 -0.03 0.00 0.03 0.00 0.00 46.19 42.28 3gb4 s LEU 73 CO 0.00 -1.08 -0.18 -1.61 0.23 0.00 0.00 176.35 173.72 3gb4 s GLU 74 N -2.38 2.31 0.11 1.70 2.02 -0.61 -0.45 118.70 121.41 3gb4 s GLU 74 Ca 0.59 -0.82 0.06 0.00 0.02 0.00 0.00 54.97 54.83 3gb4 s GLU 74 Cb -0.42 -2.26 -0.04 0.00 0.10 0.00 0.00 34.13 31.51 3gb4 s GLU 74 CO 0.55 0.59 -0.15 -0.06 0.02 0.00 0.00 175.26 176.21 3gb4 s PHE 75 N -0.75 1.44 0.51 1.61 0.40 -0.39 -0.68 117.98 120.12 3gb4 s PHE 75 Ca 0.12 -0.52 0.07 0.00 -0.60 0.00 0.00 56.93 56.00 3gb4 s PHE 75 Cb -0.10 -0.76 0.05 0.00 0.51 0.00 0.00 43.02 42.71 3gb4 s PHE 75 CO 0.01 0.15 0.70 0.16 0.70 0.00 0.00 175.22 176.94 3gb4 s ASP 76 N -2.28 5.32 0.62 1.36 1.47 -0.28 -2.23 116.67 120.65 3gb4 s ASP 76 Ca 0.07 -0.50 0.30 0.00 1.18 0.00 0.00 52.55 53.60 3gb4 s ASP 76 Cb -0.06 -0.32 1.64 0.00 -0.34 0.00 0.00 42.92 43.83 3gb4 s ASP 76 CO 0.03 -1.09 1.99 1.23 0.68 0.00 0.00 175.17 178.01 3gb4 h GLY 77 N 0.32 0.00 -0.60 2.12 0.00 -1.90 0.22 103.07 103.23 3gb4 h GLY 77 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3gb4 h GLY 77 CO 0.44 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.59 3gb4 n GLY 78 N -1.36 0.10 1.42 4.60 0.00 -1.26 -4.57 105.19 104.12 3gb4 n GLY 78 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3gb4 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gb4 n GLY 79 N 1.18 0.76 3.73 -0.02 0.00 0.76 -4.44 105.19 107.16 3gb4 n GLY 79 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3gb4 n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gb4 s GLN 80 N -0.46 4.62 -0.24 1.61 0.74 -1.26 -0.38 119.66 124.29 3gb4 s GLN 80 Ca 0.00 1.61 -0.29 0.00 0.05 0.00 0.00 55.36 56.73 3gb4 s GLN 80 Cb 0.00 -3.33 -0.00 0.00 1.10 0.00 0.00 33.01 30.78 3gb4 s GLN 80 CO 0.00 0.09 1.23 0.00 -0.55 0.00 0.00 175.29 176.06 3gb4 n VAL 82 N 5.74 0.00 -3.64 0.00 0.24 0.15 -4.94 118.33 115.87 3gb4 n VAL 82 Ca 0.14 -0.16 -0.05 0.00 -2.04 0.00 0.00 64.34 62.23 3gb4 n VAL 82 Cb 0.46 1.13 -0.06 0.00 -1.47 0.00 0.00 33.84 33.90 3gb4 n VAL 82 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3gb4 s HIS 83 N -2.62 -1.16 -0.26 6.34 2.46 -1.20 -4.98 115.29 113.87 3gb4 s HIS 83 Ca 0.13 2.19 0.02 0.00 0.47 0.00 0.00 55.06 57.87 3gb4 s HIS 83 Cb 0.16 0.70 0.07 0.00 -0.13 0.00 0.00 32.58 33.38 3gb4 s HIS 83 CO 0.67 -0.58 -0.05 1.21 -2.47 0.00 0.00 174.74 173.52 3gb4 s ASN 84 N 2.11 4.19 0.00 9.88 2.47 -1.26 -1.57 114.94 130.76 3gb4 s ASN 84 Ca -0.08 -1.40 0.16 0.00 0.42 0.00 0.00 52.86 51.95 3gb4 s ASN 84 Cb -0.08 -1.35 0.94 0.00 -1.45 0.00 0.00 41.25 39.32 3gb4 s ASN 84 CO -0.20 -0.25 1.49 -0.81 -3.72 0.00 0.00 177.10 173.62 3gb4 n PRO 85 N 4.54 0.84 -4.28 0.43 -0.04 -1.26 -4.24 135.00 130.99 3gb4 n PRO 85 Ca -0.10 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.02 3gb4 n PRO 85 Cb 0.43 -1.29 -0.09 0.00 -0.04 0.00 0.00 33.50 32.51 3gb4 n PRO 85 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3gb4 s HIS 86 N -2.00 3.15 0.00 0.54 3.76 -1.26 -4.90 115.29 114.58 3gb4 s HIS 86 Ca 0.24 0.15 0.00 0.00 -0.15 0.00 0.00 55.06 55.29 3gb4 s HIS 86 Cb 0.11 -1.72 0.00 0.00 1.11 0.00 0.00 32.58 32.07 3gb4 s HIS 86 CO 0.18 0.48 0.00 0.41 -0.85 0.00 0.00 174.74 174.97 3gb4 n GLY 87 N 1.62 3.18 0.00 -2.22 0.00 -1.26 -0.68 105.19 105.82 3gb4 n GLY 87 Ca -0.16 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.82 3gb4 n GLY 87 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3gb4 n ASN 88 N 3.02 0.00 -1.08 1.61 0.23 -1.26 -4.85 115.26 112.93 3gb4 n ASN 88 Ca 0.00 -0.72 -0.13 0.00 -0.53 0.00 0.00 54.58 53.20 3gb4 n ASN 88 Cb 0.00 -0.01 -0.04 0.00 -2.08 0.00 0.00 39.78 37.65 3gb4 n ASN 88 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gb4 n GLY 89 N 0.50 1.02 3.75 4.83 0.00 0.14 -4.98 105.19 110.45 3gb4 n GLY 89 Ca 0.18 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 3gb4 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gb4 s ALA 90 N -2.51 2.52 -0.53 4.61 0.00 -1.26 -4.49 121.76 120.10 3gb4 s ALA 90 Ca 0.00 1.07 0.05 0.00 0.00 0.00 0.00 51.96 53.08 3gb4 s ALA 90 Cb 0.00 -3.48 0.20 0.00 0.00 0.00 0.00 23.12 19.84 3gb4 s ALA 90 CO 0.00 -1.26 0.48 0.54 0.00 0.00 0.00 175.76 175.53 3gb4 n ARG 91 N -1.62 1.14 -1.09 0.00 1.74 -1.26 -4.80 116.66 110.76 3gb4 n ARG 91 Ca 0.14 -3.81 -0.32 0.00 -0.77 0.00 0.00 57.85 53.09 3gb4 n ARG 91 Cb 0.49 -1.86 0.12 0.00 -1.02 0.00 0.00 32.46 30.19 3gb4 n ARG 91 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3gb4 s PRO 92 N -1.02 1.80 0.59 5.56 0.04 -1.26 -4.89 135.00 135.82 3gb4 s PRO 92 Ca 0.32 1.40 0.29 0.00 0.04 0.00 0.00 61.00 63.05 3gb4 s PRO 92 Cb 0.06 -1.83 1.71 0.00 0.04 0.00 0.00 34.50 34.48 3gb4 s PRO 92 CO -0.15 -2.03 2.14 0.00 0.04 0.00 0.00 177.00 177.01 3gb4 h ALA 93 N -1.25 1.72 0.00 8.56 0.00 -2.00 -0.75 119.26 125.54 3gb4 h ALA 93 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3gb4 h ALA 93 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3gb4 h ALA 93 CO 0.47 -0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.38 3gb4 n SER 94 N -3.80 0.12 -0.48 0.00 3.41 -1.26 -2.00 113.62 109.60 3gb4 n SER 94 Ca 0.00 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 3gb4 n SER 94 Cb 0.25 -0.56 0.36 0.00 -0.26 0.00 0.00 64.21 64.00 3gb4 n SER 94 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gb4 n LEU 95 N -1.65 1.64 -4.79 1.04 4.77 -0.29 -4.90 117.00 112.84 3gb4 n LEU 95 Ca 0.01 -0.53 -0.36 0.00 -0.03 0.00 0.00 56.01 55.10 3gb4 n LEU 95 Cb 0.08 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 3gb4 n LEU 95 CO 0.08 0.28 0.67 0.20 -1.33 0.00 0.00 177.39 177.29 3gb4 s ASN 96 N -2.20 7.18 0.07 -1.43 0.01 -0.85 -4.40 114.94 113.31 3gb4 s ASN 96 Ca 0.30 1.86 0.03 0.00 -0.71 0.00 0.00 52.86 54.34 3gb4 s ASN 96 Cb 0.20 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.25 3gb4 s ASN 96 CO 0.41 -0.19 0.06 0.54 -1.51 0.00 0.00 177.10 176.41 3gb4 s VAL 97 N -1.70 4.40 0.30 1.60 0.11 0.49 -4.85 120.40 120.75 3gb4 s VAL 97 Ca 0.53 -0.79 -0.30 0.00 -2.93 0.00 0.00 61.98 58.49 3gb4 s VAL 97 Cb -0.18 -3.10 -0.11 0.00 -1.53 0.00 0.00 36.38 31.46 3gb4 s VAL 97 CO 0.23 0.15 1.53 -0.60 -3.33 0.00 0.00 175.10 173.08 3gb4 s ARG 98 N -2.29 4.16 0.03 1.54 3.52 -1.26 -4.38 118.95 120.27 3gb4 s ARG 98 Ca 0.28 2.50 0.08 0.00 -0.13 0.00 0.00 55.73 58.46 3gb4 s ARG 98 Cb -0.12 -3.03 -0.03 0.00 -1.56 0.00 0.00 34.95 30.21 3gb4 s ARG 98 CO 0.20 -0.55 -0.24 0.45 -0.81 0.00 0.00 175.30 174.36 3gb4 s SER 99 N 0.29 3.33 -0.07 -2.12 0.15 -1.26 -1.34 113.70 112.67 3gb4 s SER 99 Ca 0.60 -0.51 -0.00 0.00 0.70 0.00 0.00 55.95 56.73 3gb4 s SER 99 Cb -0.46 -0.40 -0.03 0.00 -1.71 0.00 0.00 66.02 63.42 3gb4 s SER 99 CO 0.50 0.27 -0.04 -0.36 1.20 0.00 0.00 173.24 174.82 3gb4 s PHE 100 N -0.79 3.03 0.27 3.44 0.40 -0.14 -4.99 117.98 119.19 3gb4 s PHE 100 Ca 0.12 0.09 -0.31 0.00 -0.60 0.00 0.00 56.93 56.24 3gb4 s PHE 100 Cb -0.10 -1.74 -0.12 0.00 0.51 0.00 0.00 43.02 41.57 3gb4 s PHE 100 CO 0.02 0.39 1.59 -2.30 0.70 0.00 0.00 175.22 175.62 3gb4 n PRO 101 N 2.18 2.61 -3.86 0.24 -0.02 -1.26 -4.56 135.00 130.33 3gb4 n PRO 101 Ca -0.18 0.93 -0.12 0.00 -2.02 0.00 0.00 63.50 62.11 3gb4 n PRO 101 Cb 0.53 -2.71 -0.14 0.00 -0.02 0.00 0.00 33.50 31.16 3gb4 n PRO 101 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gb4 s VAL 102 N 0.20 -0.00 -0.05 -1.45 0.11 -1.26 -2.19 120.40 115.76 3gb4 s VAL 102 Ca 0.67 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.72 3gb4 s VAL 102 Cb -0.52 -0.03 0.03 0.00 -1.53 0.00 0.00 36.38 34.32 3gb4 s VAL 102 CO 0.46 0.00 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.53 3gb4 s VAL 103 N 0.01 0.30 -0.34 2.04 1.01 -0.08 -4.99 120.40 118.35 3gb4 s VAL 103 Ca -0.00 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.89 3gb4 s VAL 103 Cb -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 3gb4 s VAL 103 CO 0.00 0.20 0.40 -0.70 0.00 0.00 0.00 175.10 175.00 3gb4 s GLU 104 N 1.37 3.59 -0.11 2.72 2.12 -1.26 -0.64 118.70 126.49 3gb4 s GLU 104 Ca -0.05 -0.33 -0.17 0.00 0.36 0.00 0.00 54.97 54.78 3gb4 s GLU 104 Cb -0.13 -3.80 0.04 0.00 0.26 0.00 0.00 34.13 30.50 3gb4 s GLU 104 CO -0.02 -0.55 0.44 0.50 -0.54 0.00 0.00 175.26 175.09 3gb4 s ARG 105 N 2.12 0.64 -1.49 4.30 3.52 -0.17 -4.92 118.95 122.94 3gb4 s ARG 105 Ca 0.14 0.35 -0.12 0.00 -0.13 0.00 0.00 55.73 55.97 3gb4 s ARG 105 Cb -0.16 0.30 0.08 0.00 -1.56 0.00 0.00 34.95 33.61 3gb4 s ARG 105 CO 0.12 -0.13 0.85 -0.25 -0.81 0.00 0.00 175.30 175.08 3gb4 n ASP 106 N 2.15 -4.76 -3.21 -2.12 8.00 -1.26 -1.03 116.55 114.32 3gb4 n ASP 106 Ca -0.16 -0.66 -0.23 0.00 0.71 0.00 0.00 54.79 54.45 3gb4 n ASP 106 Cb 0.57 -3.83 0.05 0.00 -0.02 0.00 0.00 41.12 37.89 3gb4 n ASP 106 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gb4 n ALA 107 N -4.35 -1.08 -2.96 2.24 0.00 -1.26 -4.75 120.51 108.34 3gb4 n ALA 107 Ca 0.02 0.33 -0.09 0.00 0.00 0.00 0.00 53.44 53.70 3gb4 n ALA 107 Cb 0.54 -4.44 -0.11 0.00 0.00 0.00 0.00 19.45 15.44 3gb4 n ALA 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gb4 s LEU 108 N -6.90 2.22 -0.38 0.00 1.43 -0.19 -4.36 118.68 110.50 3gb4 s LEU 108 Ca 0.40 -0.50 -0.07 0.00 -1.03 0.00 0.00 54.13 52.93 3gb4 s LEU 108 Cb -0.18 0.13 0.06 0.00 0.03 0.00 0.00 46.19 46.23 3gb4 s LEU 108 CO 0.49 -0.31 0.17 -0.63 0.23 0.00 0.00 176.35 176.30 3gb4 s ILE 109 N -1.52 3.87 -0.01 -0.59 -1.09 -0.76 -1.00 121.20 120.09 3gb4 s ILE 109 Ca -0.15 -1.36 -0.12 0.00 -2.23 0.00 0.00 60.65 56.79 3gb4 s ILE 109 Cb -0.09 -3.31 -0.05 0.00 -1.58 0.00 0.00 42.46 37.42 3gb4 s ILE 109 CO -0.01 -0.37 0.34 0.26 -1.23 0.00 0.00 174.94 173.93 3gb4 s TRP 110 N 1.37 3.67 0.03 3.97 0.52 0.18 -0.69 118.94 128.00 3gb4 s TRP 110 Ca 0.01 0.83 0.03 0.00 0.02 0.00 0.00 56.10 56.99 3gb4 s TRP 110 Cb -0.21 -2.17 -0.02 0.00 -1.15 0.00 0.00 33.47 29.92 3gb4 s TRP 110 CO 0.02 0.64 -0.08 0.42 0.02 0.00 0.00 176.95 177.97 3gb4 s ILE 111 N -1.14 0.61 -0.40 2.03 1.01 0.90 -0.90 121.20 123.32 3gb4 s ILE 111 Ca 0.24 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 3gb4 s ILE 111 Cb -0.15 -0.62 0.08 0.00 0.01 0.00 0.00 42.46 41.78 3gb4 s ILE 111 CO 0.12 -0.20 0.22 0.86 0.00 0.00 0.00 174.94 175.94 3gb4 s TRP 112 N -1.00 3.36 -1.28 3.97 -0.11 -0.93 -1.22 118.94 121.74 3gb4 s TRP 112 Ca -0.05 -1.68 0.28 0.00 1.22 0.00 0.00 56.10 55.87 3gb4 s TRP 112 Cb -0.08 -2.87 1.15 0.00 -1.50 0.00 0.00 33.47 30.17 3gb4 s TRP 112 CO 0.00 -0.85 1.83 -0.35 -4.62 0.00 0.00 176.95 172.97 3gb4 n PRO 113 N 4.83 0.29 0.00 5.86 -0.04 -1.25 -4.26 135.00 140.44 3gb4 n PRO 113 Ca -0.09 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 3gb4 n PRO 113 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 3gb4 n PRO 113 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gb4 n GLY 114 N 1.39 1.70 3.60 0.55 0.00 -0.31 -4.94 105.19 107.19 3gb4 n GLY 114 Ca 0.10 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 3gb4 n GLY 114 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gb4 s ASP 115 N -1.00 5.55 0.62 1.61 -1.08 -1.26 -4.85 116.67 116.26 3gb4 s ASP 115 Ca 0.00 1.70 0.36 0.00 -0.52 0.00 0.00 52.55 54.09 3gb4 s ASP 115 Cb 0.00 -2.51 2.04 0.00 -1.46 0.00 0.00 42.92 40.99 3gb4 s ASP 115 CO 0.00 -1.92 2.27 1.55 0.52 0.00 0.00 175.17 177.60 3gb4 h PRO 116 N 14.57 0.00 0.00 4.34 0.13 -1.93 -1.69 132.00 147.42 3gb4 h PRO 116 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3gb4 h PRO 116 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3gb4 h PRO 116 CO 0.98 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.75 3gb4 h ALA 117 N 1.94 1.00 -0.02 -0.56 0.00 -2.02 -2.97 119.26 116.63 3gb4 h ALA 117 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gb4 h ALA 117 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3gb4 h ALA 117 CO -0.00 0.00 -0.20 1.28 0.00 0.00 0.00 179.25 180.33 3gb4 n LEU 118 N -2.88 2.53 -4.42 0.00 4.77 -0.64 -4.92 117.00 111.44 3gb4 n LEU 118 Ca 0.02 -0.89 -0.49 0.00 -0.03 0.00 0.00 56.01 54.61 3gb4 n LEU 118 Cb 0.36 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.36 3gb4 n LEU 118 CO 0.28 0.44 1.88 0.00 -1.33 0.00 0.00 177.39 178.66 3gb4 n ALA 119 N 0.72 0.73 -3.74 -1.18 0.00 -1.13 -4.84 120.51 111.08 3gb4 n ALA 119 Ca 0.12 -0.14 -0.37 0.00 0.00 0.00 0.00 53.44 53.05 3gb4 n ALA 119 Cb 0.53 -2.47 -0.11 0.00 0.00 0.00 0.00 19.45 17.40 3gb4 n ALA 119 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gb4 s ASP 120 N 7.86 5.29 0.63 0.00 -1.08 -1.26 -4.95 116.67 123.17 3gb4 s ASP 120 Ca 1.15 -2.23 0.33 0.00 -0.52 0.00 0.00 52.55 51.28 3gb4 s ASP 120 Cb -0.99 -1.85 1.84 0.00 -1.46 0.00 0.00 42.92 40.46 3gb4 s ASP 120 CO 0.50 -0.51 2.12 1.55 0.52 0.00 0.00 175.17 179.35 3gb4 h PRO 121 N 7.82 0.00 0.00 4.34 0.13 -2.01 0.76 132.00 143.04 3gb4 h PRO 121 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3gb4 h PRO 121 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3gb4 h PRO 121 CO 0.72 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.90 3gb4 n GLY 122 N -1.28 -0.88 0.74 1.56 0.00 -1.26 -0.75 105.19 103.31 3gb4 n GLY 122 Ca -0.00 0.20 0.10 0.00 0.00 0.00 0.00 46.02 46.31 3gb4 n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gb4 n ALA 123 N -1.78 2.47 -2.63 4.61 0.00 0.26 -4.88 120.51 118.57 3gb4 n ALA 123 Ca -0.01 -0.68 -0.43 0.00 0.00 0.00 0.00 53.44 52.32 3gb4 n ALA 123 Cb 0.04 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 3gb4 n ALA 123 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gb4 s ILE 124 N -1.63 4.54 0.54 0.00 1.01 0.07 -4.83 121.20 120.90 3gb4 s ILE 124 Ca 0.32 1.81 -0.19 0.00 0.00 0.00 0.00 60.65 62.59 3gb4 s ILE 124 Cb 0.18 -4.35 -0.09 0.00 0.01 0.00 0.00 42.46 38.21 3gb4 s ILE 124 CO 0.25 -0.36 0.61 -2.65 0.00 0.00 0.00 174.94 172.80 3gb4 n PRO 125 N 6.69 0.63 -3.18 2.79 -0.02 -1.26 -4.93 135.00 135.71 3gb4 n PRO 125 Ca 0.12 0.24 -0.43 0.00 -2.02 0.00 0.00 63.50 61.41 3gb4 n PRO 125 Cb 0.47 -1.75 -0.07 0.00 -0.02 0.00 0.00 33.50 32.12 3gb4 n PRO 125 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3gb4 s ASP 126 N -1.11 6.28 -0.33 2.55 2.15 -1.26 -4.90 116.67 120.05 3gb4 s ASP 126 Ca 0.68 -0.43 0.08 0.00 0.43 0.00 0.00 52.55 53.31 3gb4 s ASP 126 Cb -0.47 -2.29 0.45 0.00 -0.30 0.00 0.00 42.92 40.31 3gb4 s ASP 126 CO 0.54 -0.70 1.15 0.49 -0.17 0.00 0.00 175.17 176.49 3gb4 n PHE 127 N 6.02 2.76 -0.22 -5.34 3.01 -1.26 -4.88 117.46 117.54 3gb4 n PHE 127 Ca -0.04 -2.48 0.20 0.00 1.01 0.00 0.00 57.45 56.15 3gb4 n PHE 127 Cb 0.48 -0.26 0.54 0.00 -0.01 0.00 0.00 39.48 40.23 3gb4 n PHE 127 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3gb4 h GLY 128 N 2.35 0.73 0.94 1.37 0.00 -1.92 -2.01 103.07 104.54 3gb4 h GLY 128 Ca 0.29 -0.16 0.13 0.00 0.00 0.00 0.00 47.33 47.60 3gb4 h GLY 128 CO 0.73 -0.00 0.40 0.00 0.00 0.00 0.00 176.54 177.67 3gb4 h ARG 130 N 0.00 0.00 0.00 0.00 3.08 -1.67 -2.83 114.38 112.96 3gb4 h ARG 130 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3gb4 h ARG 130 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 3gb4 h ARG 130 CO -0.00 0.00 -0.15 1.33 -1.07 0.00 0.00 179.97 180.08 3gb4 n VAL 131 N -2.91 1.30 -3.11 2.04 0.24 -0.47 -4.83 118.33 110.60 3gb4 n VAL 131 Ca -0.01 -1.56 -0.40 0.00 -2.04 0.00 0.00 64.34 60.33 3gb4 n VAL 131 Cb 0.17 -0.01 -0.06 0.00 -1.47 0.00 0.00 33.84 32.48 3gb4 n VAL 131 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3gb4 s ASP 132 N -2.29 6.71 0.47 -1.34 -1.08 -1.07 -4.94 116.67 113.14 3gb4 s ASP 132 Ca 0.22 0.86 0.28 0.00 -0.52 0.00 0.00 52.55 53.39 3gb4 s ASP 132 Cb 0.19 -2.35 1.52 0.00 -1.46 0.00 0.00 42.92 40.82 3gb4 s ASP 132 CO 0.02 -0.26 1.84 1.55 0.52 0.00 0.00 175.17 178.84 3gb4 h PRO 133 N 7.41 0.00 -0.00 4.34 0.13 -1.94 0.49 132.00 142.43 3gb4 h PRO 133 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3gb4 h PRO 133 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3gb4 h PRO 133 CO 0.77 0.00 -0.07 0.00 -0.23 0.00 0.00 178.00 178.48 3gb4 n ALA 134 N -1.84 2.61 -2.44 -0.56 0.00 -1.26 -4.83 120.51 112.18 3gb4 n ALA 134 Ca -0.02 -0.19 -0.25 0.00 0.00 0.00 0.00 53.44 52.98 3gb4 n ALA 134 Cb 0.15 -1.41 -0.12 0.00 0.00 0.00 0.00 19.45 18.07 3gb4 n ALA 134 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3gb4 s TYR 135 N -2.66 2.12 -0.20 0.00 1.51 0.16 -4.63 117.35 113.66 3gb4 s TYR 135 Ca 0.24 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.89 3gb4 s TYR 135 Cb 0.20 -1.07 -0.00 0.00 -0.11 0.00 0.00 41.96 40.98 3gb4 s TYR 135 CO 0.50 0.42 -0.09 0.50 -1.11 0.00 0.00 175.55 175.76 3gb4 s ARG 136 N -2.59 3.29 -0.12 -0.62 6.06 -0.29 -4.78 118.95 119.90 3gb4 s ARG 136 Ca 0.18 -0.68 0.00 0.00 -2.50 0.00 0.00 55.73 52.73 3gb4 s ARG 136 Cb -0.08 -2.86 -0.02 0.00 0.06 0.00 0.00 34.95 32.05 3gb4 s ARG 136 CO 0.08 -0.15 -0.13 0.99 -2.50 0.00 0.00 175.30 173.60 3gb4 s THR 137 N 1.29 3.11 0.02 4.11 2.01 -1.26 -1.14 115.64 123.79 3gb4 s THR 137 Ca 0.04 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.41 3gb4 s THR 137 Cb -0.14 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.05 3gb4 s THR 137 CO -0.04 0.53 -0.08 0.68 -0.69 0.00 0.00 174.62 175.02 3gb4 s VAL 138 N 0.20 0.59 0.00 3.82 -7.23 -0.63 -4.97 120.40 112.18 3gb4 s VAL 138 Ca -0.08 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.38 3gb4 s VAL 138 Cb -0.15 -0.58 0.00 0.00 0.56 0.00 0.00 36.38 36.21 3gb4 s VAL 138 CO 0.05 -0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 3gb4 n GLY 139 N 2.16 1.32 0.00 2.32 0.00 -1.26 -0.51 105.19 109.22 3gb4 n GLY 139 Ca -0.18 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.06 3gb4 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gb4 n GLY 140 N 0.00 1.02 3.32 -0.02 0.00 -0.39 -4.98 105.19 104.14 3gb4 n GLY 140 Ca 0.00 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 3gb4 n GLY 140 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gb4 s TYR 141 N -4.62 2.12 -0.05 1.61 5.04 -1.26 -1.84 117.35 118.35 3gb4 s TYR 141 Ca 0.00 -0.40 -0.06 0.00 -2.44 0.00 0.00 57.07 54.17 3gb4 s TYR 141 Cb 0.00 -1.23 0.01 0.00 0.35 0.00 0.00 41.96 41.09 3gb4 s TYR 141 CO 0.00 0.17 0.16 0.20 -1.34 0.00 0.00 175.55 174.74 3gb4 s GLY 142 N -1.46 -0.08 -0.14 8.97 0.00 0.25 -5.00 107.32 109.86 3gb4 s GLY 142 Ca 0.10 0.32 -0.03 0.00 0.00 0.00 0.00 44.72 45.11 3gb4 s GLY 142 CO 0.03 0.24 -0.03 -1.58 0.00 0.00 0.00 173.10 171.76 3gb4 s HIS 143 N -0.27 3.04 -0.04 1.90 2.46 -1.26 0.10 115.29 121.23 3gb4 s HIS 143 Ca -0.04 -0.19 0.04 0.00 0.47 0.00 0.00 55.06 55.34 3gb4 s HIS 143 Cb -0.03 -1.92 -0.00 0.00 -0.13 0.00 0.00 32.58 30.50 3gb4 s HIS 143 CO 0.01 0.07 -0.14 0.08 -2.47 0.00 0.00 174.74 172.29 3gb4 s VAL 144 N 0.10 1.16 -1.40 0.89 1.01 -0.63 -4.99 120.40 116.54 3gb4 s VAL 144 Ca -0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 3gb4 s VAL 144 Cb -0.13 -1.01 0.07 0.00 0.00 0.00 0.00 36.38 35.31 3gb4 s VAL 144 CO 0.03 0.34 2.44 0.47 0.00 0.00 0.00 175.10 178.38 3gb4 n ASP 145 N 3.20 7.51 -3.81 3.32 8.00 -1.26 -1.14 116.55 132.37 3gb4 n ASP 145 Ca -0.18 -2.97 -0.10 0.00 0.71 0.00 0.00 54.79 52.24 3gb4 n ASP 145 Cb 0.53 -1.45 -0.07 0.00 -0.02 0.00 0.00 41.12 40.11 3gb4 n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gb4 s ASN 147 N -2.43 6.66 0.52 0.00 3.84 -1.26 -3.13 114.94 119.14 3gb4 s ASN 147 Ca -0.01 2.73 0.26 0.00 0.21 0.00 0.00 52.86 56.05 3gb4 s ASN 147 Cb 0.01 -2.64 1.38 0.00 -0.55 0.00 0.00 41.25 39.46 3gb4 s ASN 147 CO -0.07 -0.66 1.97 0.10 -2.79 0.00 0.00 177.10 175.65 3gb4 h TYR 148 N 4.12 0.05 0.00 0.43 -0.00 -1.84 -1.76 116.97 117.97 3gb4 h TYR 148 Ca -0.48 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.24 3gb4 h TYR 148 Cb 1.22 -0.02 -0.00 0.00 0.00 0.00 0.00 36.73 37.94 3gb4 h TYR 148 CO 0.57 0.02 -0.06 0.87 -0.00 0.00 0.00 178.16 179.56 3gb4 h LYS 149 N 0.04 0.00 -0.12 0.10 1.57 -1.96 -1.51 116.57 114.69 3gb4 h LYS 149 Ca 0.30 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.94 3gb4 h LYS 149 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 3gb4 h LYS 149 CO -0.02 0.06 -0.55 -0.07 -0.57 0.00 0.00 179.45 178.31 3gb4 h LEU 150 N 0.00 0.38 -0.01 2.94 3.38 -1.69 -1.44 115.31 118.87 3gb4 h LEU 150 Ca -0.00 -0.20 -0.16 0.00 0.09 0.00 0.00 57.88 57.60 3gb4 h LEU 150 Cb 0.19 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3gb4 h LEU 150 CO 0.01 0.85 -0.78 -0.07 0.09 0.00 0.00 178.44 178.54 3gb4 h LEU 151 N 0.27 0.00 -0.30 1.67 3.38 -1.43 -1.97 115.31 116.92 3gb4 h LEU 151 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3gb4 h LEU 151 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3gb4 h LEU 151 CO 0.09 0.78 -0.01 0.58 0.09 0.00 0.00 178.44 179.97 3gb4 h VAL 152 N 0.00 1.26 -0.51 1.22 2.07 -1.18 -1.51 116.25 117.61 3gb4 h VAL 152 Ca -0.01 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.60 3gb4 h VAL 152 Cb 1.59 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 32.61 3gb4 h VAL 152 CO 0.10 0.31 0.21 0.44 0.02 0.00 0.00 177.57 178.66 3gb4 h ASP 153 N 0.33 0.25 -0.17 0.57 3.32 -1.21 -1.92 116.42 117.60 3gb4 h ASP 153 Ca 0.08 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.21 3gb4 h ASP 153 Cb 0.46 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 3gb4 h ASP 153 CO 0.02 0.18 -0.01 -1.13 -1.72 0.00 0.00 179.24 176.58 3gb4 h ASN 154 N 0.41 -0.08 0.65 6.45 -0.73 -1.10 -2.75 115.58 118.44 3gb4 h ASN 154 Ca 0.24 0.04 -0.06 0.00 1.87 0.00 0.00 56.30 58.39 3gb4 h ASN 154 Cb 0.22 0.07 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 3gb4 h ASN 154 CO -0.21 -0.02 -0.27 -0.07 -0.37 0.00 0.00 177.43 176.49 3gb4 h LEU 155 N 0.05 0.00 -0.35 0.34 3.38 -1.03 -2.63 115.31 115.06 3gb4 h LEU 155 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3gb4 h LEU 155 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3gb4 h LEU 155 CO -0.14 0.27 -0.07 0.23 0.09 0.00 0.00 178.44 178.83 3gb4 n MET 156 N -3.62 0.97 -3.31 1.13 2.81 -0.75 -3.93 117.12 110.42 3gb4 n MET 156 Ca -0.01 -0.35 -0.26 0.00 -1.81 0.00 0.00 57.70 55.28 3gb4 n MET 156 Cb 0.40 -1.49 -0.07 0.00 -0.71 0.00 0.00 33.22 31.35 3gb4 n MET 156 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3gb4 n ASP 157 N -0.71 2.70 0.21 7.83 -0.08 -0.99 -4.27 116.55 121.24 3gb4 n ASP 157 Ca 0.17 -3.24 0.14 0.00 -1.51 0.00 0.00 54.79 50.36 3gb4 n ASP 157 Cb 0.26 -0.65 0.75 0.00 2.34 0.00 0.00 41.12 43.82 3gb4 n ASP 157 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3gb4 h LEU 158 N 3.99 0.00 -2.52 -2.67 3.38 -1.69 -2.50 115.31 113.29 3gb4 h LEU 158 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3gb4 h LEU 158 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3gb4 h LEU 158 CO 0.72 0.00 0.06 1.23 0.09 0.00 0.00 178.44 180.54 3gb4 h GLY 159 N 0.24 0.00 2.00 0.83 0.00 -1.91 -1.44 103.07 102.79 3gb4 h GLY 159 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gb4 h GLY 159 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 176.54 177.66 3gb4 h HIS 160 N 0.00 0.00 -0.32 5.60 2.07 -1.78 -2.12 115.15 118.59 3gb4 h HIS 160 Ca 0.00 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.55 3gb4 h HIS 160 Cb 0.11 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.08 3gb4 h HIS 160 CO 0.00 0.00 0.22 0.00 -3.07 0.00 0.00 177.93 175.08 3gb4 h ALA 161 N 2.04 1.93 -0.22 6.11 0.00 -1.52 0.16 119.26 127.75 3gb4 h ALA 161 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3gb4 h ALA 161 Cb 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3gb4 h ALA 161 CO 0.00 0.02 0.21 0.37 0.00 0.00 0.00 179.25 179.85 3gb4 h GLN 162 N 0.30 0.00 0.00 0.00 5.75 -1.62 -1.55 115.11 117.99 3gb4 h GLN 162 Ca 0.14 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.58 3gb4 h GLN 162 Cb 0.17 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 3gb4 h GLN 162 CO -0.03 0.00 -0.79 0.66 -2.65 0.00 0.00 178.83 176.02 3gb4 n TYR 163 N -4.01 0.00 -0.28 3.99 4.02 -0.34 -4.25 117.16 116.30 3gb4 n TYR 163 Ca 0.03 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.90 3gb4 n TYR 163 Cb 0.35 -0.21 0.17 0.00 -0.02 0.00 0.00 39.34 39.63 3gb4 n TYR 163 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3gb4 h VAL 164 N -0.29 1.23 -0.59 -0.72 2.07 -0.86 -2.79 116.25 114.30 3gb4 h VAL 164 Ca -0.09 -0.46 -0.36 0.00 0.82 0.00 0.00 66.70 66.61 3gb4 h VAL 164 Cb 0.67 0.01 -0.22 0.00 -1.52 0.00 0.00 31.29 30.24 3gb4 h VAL 164 CO -0.05 0.23 -0.02 1.41 0.02 0.00 0.00 177.57 179.16 3gb4 n HIS 165 N -4.38 1.92 -0.26 1.57 8.25 -0.60 -4.86 115.22 116.85 3gb4 n HIS 165 Ca 0.09 -1.98 -0.07 0.00 -0.26 0.00 0.00 57.72 55.51 3gb4 n HIS 165 Cb 0.05 -0.65 -0.06 0.00 1.12 0.00 0.00 29.99 30.44 3gb4 n HIS 165 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3gb4 n ARG 166 N -1.02 -0.28 0.21 -0.41 0.63 -1.05 -0.27 116.66 114.48 3gb4 n ARG 166 Ca 0.42 1.06 0.17 0.00 -0.92 0.00 0.00 57.85 58.59 3gb4 n ARG 166 Cb 1.02 -1.56 0.75 0.00 0.45 0.00 0.00 32.46 33.12 3gb4 n ARG 166 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gb4 h ALA 167 N 0.20 1.74 0.00 5.13 0.00 -1.89 -2.06 119.26 122.38 3gb4 h ALA 167 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gb4 h ALA 167 Cb 0.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3gb4 h ALA 167 CO -0.59 -0.53 -0.98 0.09 0.00 0.00 0.00 179.25 177.24 3gb4 n ASN 168 N -3.26 4.92 -0.03 0.00 5.03 -0.25 -4.77 115.26 116.90 3gb4 n ASN 168 Ca 0.03 0.00 0.04 0.00 0.87 0.00 0.00 54.58 55.51 3gb4 n ASN 168 Cb 0.53 0.70 -0.04 0.00 -1.02 0.00 0.00 39.78 39.95 3gb4 n ASN 168 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gb4 n ALA 169 N -1.77 2.94 -1.64 5.41 0.00 0.63 -1.47 120.51 124.62 3gb4 n ALA 169 Ca 0.00 -0.25 -0.46 0.00 0.00 0.00 0.00 53.44 52.74 3gb4 n ALA 169 Cb 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 3gb4 n ALA 169 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3gb4 n GLN 170 N -1.02 1.70 -4.38 0.00 7.27 -0.78 -4.66 117.38 115.50 3gb4 n GLN 170 Ca 0.02 0.60 -0.21 0.00 0.07 0.00 0.00 57.00 57.48 3gb4 n GLN 170 Cb 0.13 -2.18 -0.16 0.00 2.41 0.00 0.00 30.24 30.44 3gb4 n GLN 170 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 3gb4 s THR 171 N -0.27 0.81 -0.28 1.69 2.01 -1.26 -4.50 115.64 113.83 3gb4 s THR 171 Ca 0.68 -0.32 0.26 0.00 0.31 0.00 0.00 61.69 62.62 3gb4 s THR 171 Cb -0.71 -0.75 0.28 0.00 0.01 0.00 0.00 72.50 71.32 3gb4 s THR 171 CO 0.52 0.27 1.78 -2.24 -0.69 0.00 0.00 174.62 174.26 3gb4 h ASP 172 N 6.79 0.00 -0.52 3.53 -0.00 -1.94 -2.88 116.42 121.40 3gb4 h ASP 172 Ca -0.34 0.00 -0.05 0.00 -0.00 0.00 0.00 57.03 56.63 3gb4 h ASP 172 Cb 1.17 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 40.47 3gb4 h ASP 172 CO 0.48 0.00 0.06 0.00 -0.00 0.00 0.00 179.24 179.78 3gb4 n ALA 173 N -1.84 3.82 -0.10 4.15 0.00 -1.26 -4.60 120.51 120.68 3gb4 n ALA 173 Ca 0.01 -2.18 0.04 0.00 0.00 0.00 0.00 53.44 51.32 3gb4 n ALA 173 Cb 0.20 -1.02 0.37 0.00 0.00 0.00 0.00 19.45 19.00 3gb4 n ALA 173 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3gb4 h PHE 174 N 2.98 0.66 0.00 0.00 3.57 -1.92 -1.94 116.94 120.30 3gb4 h PHE 174 Ca 0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3gb4 h PHE 174 Cb 1.91 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.42 3gb4 h PHE 174 CO 0.97 0.39 0.00 -0.25 -2.23 0.00 0.00 178.31 177.20 3gb4 n ASP 175 N -4.46 0.00 -0.96 0.41 8.00 -1.26 -2.00 116.55 116.27 3gb4 n ASP 175 Ca 0.07 -0.16 0.08 0.00 0.71 0.00 0.00 54.79 55.48 3gb4 n ASP 175 Cb 0.12 -0.21 0.24 0.00 -0.02 0.00 0.00 41.12 41.25 3gb4 n ASP 175 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3gb4 n ARG 176 N -1.21 3.06 -1.79 -1.24 1.74 -0.73 -5.02 116.66 111.48 3gb4 n ARG 176 Ca 0.11 -2.46 -0.41 0.00 -0.77 0.00 0.00 57.85 54.31 3gb4 n ARG 176 Cb 0.13 -1.56 -0.00 0.00 -1.02 0.00 0.00 32.46 30.01 3gb4 n ARG 176 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3gb4 s LEU 177 N -1.58 4.31 -0.11 0.55 2.96 -0.85 -4.56 118.68 119.40 3gb4 s LEU 177 Ca 0.36 3.07 -0.01 0.00 -0.22 0.00 0.00 54.13 57.33 3gb4 s LEU 177 Cb 0.23 -3.67 0.03 0.00 0.50 0.00 0.00 46.19 43.27 3gb4 s LEU 177 CO 0.18 -0.89 -0.06 -1.83 -1.32 0.00 0.00 176.35 172.43 3gb4 s GLU 178 N -2.09 1.33 0.11 1.98 -1.05 -0.69 -4.98 118.70 113.31 3gb4 s GLU 178 Ca 0.53 -0.19 0.08 0.00 -0.15 0.00 0.00 54.97 55.24 3gb4 s GLU 178 Cb -0.47 -1.49 -0.04 0.00 -0.44 0.00 0.00 34.13 31.70 3gb4 s GLU 178 CO 0.64 -0.29 -0.20 -0.98 0.95 0.00 0.00 175.26 175.38 3gb4 s ARG 179 N 1.76 1.12 0.05 -4.83 1.70 -1.26 -1.49 118.95 116.00 3gb4 s ARG 179 Ca 0.05 -1.18 -0.01 0.00 -0.47 0.00 0.00 55.73 54.12 3gb4 s ARG 179 Cb -0.13 -1.35 -0.04 0.00 -0.57 0.00 0.00 34.95 32.86 3gb4 s ARG 179 CO -0.08 0.31 -0.03 -1.21 -1.08 0.00 0.00 175.30 173.21 3gb4 s GLU 180 N -1.99 0.59 -0.09 3.89 0.41 -0.78 -4.99 118.70 115.73 3gb4 s GLU 180 Ca 0.07 -1.18 0.01 0.00 -0.41 0.00 0.00 54.97 53.46 3gb4 s GLU 180 Cb -0.10 0.20 0.02 0.00 -1.78 0.00 0.00 34.13 32.48 3gb4 s GLU 180 CO 0.04 -0.11 -0.11 0.08 -0.49 0.00 0.00 175.26 174.68 3gb4 s VAL 181 N -3.75 1.14 -0.19 2.63 1.01 -1.26 -0.94 120.40 119.04 3gb4 s VAL 181 Ca 0.05 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 3gb4 s VAL 181 Cb 0.07 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 3gb4 s VAL 181 CO -0.09 0.37 -0.04 -0.63 0.00 0.00 0.00 175.10 174.71 3gb4 s ILE 182 N 1.14 3.60 -0.21 2.22 1.01 -0.22 -4.98 121.20 123.77 3gb4 s ILE 182 Ca -0.05 -0.44 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 3gb4 s ILE 182 Cb -0.14 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 3gb4 s ILE 182 CO -0.02 0.45 -0.02 -0.69 0.00 0.00 0.00 174.94 174.66 3gb4 s VAL 183 N 0.95 3.71 0.00 2.92 1.01 -1.26 -1.00 120.40 126.74 3gb4 s VAL 183 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.59 3gb4 s VAL 183 Cb -0.15 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.56 3gb4 s VAL 183 CO 0.01 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.15 3gb4 n GLY 184 N 4.43 5.01 3.58 4.51 0.00 -0.07 -5.03 105.19 117.62 3gb4 n GLY 184 Ca -0.17 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 3gb4 n GLY 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gb4 s ASP 185 N -0.45 5.72 -1.42 1.61 3.68 -1.26 -3.18 116.67 121.37 3gb4 s ASP 185 Ca 0.00 0.84 0.00 0.00 2.13 0.00 0.00 52.55 55.52 3gb4 s ASP 185 Cb 0.00 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 38.94 3gb4 s ASP 185 CO 0.00 -1.93 0.00 0.61 0.13 0.00 0.00 175.17 173.98 3gb4 n GLY 186 N 5.48 0.37 3.41 2.66 0.00 -1.26 -4.99 105.19 110.86 3gb4 n GLY 186 Ca 0.21 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 3gb4 n GLY 186 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gb4 s GLU 187 N -4.25 0.70 -0.04 1.61 2.12 -1.19 -3.99 118.70 113.65 3gb4 s GLU 187 Ca 0.00 0.49 0.02 0.00 0.36 0.00 0.00 54.97 55.84 3gb4 s GLU 187 Cb 0.00 0.33 0.01 0.00 0.26 0.00 0.00 34.13 34.73 3gb4 s GLU 187 CO 0.00 -0.14 -0.10 0.42 -0.54 0.00 0.00 175.26 174.90 3gb4 s ILE 188 N -0.25 0.94 -0.02 -3.70 1.01 -1.07 -0.89 121.20 117.22 3gb4 s ILE 188 Ca -0.04 -0.41 0.06 0.00 0.00 0.00 0.00 60.65 60.26 3gb4 s ILE 188 Cb -0.03 -0.85 -0.02 0.00 0.01 0.00 0.00 42.46 41.57 3gb4 s ILE 188 CO 0.03 0.30 -0.21 -1.10 0.00 0.00 0.00 174.94 173.96 3gb4 s GLN 189 N 0.40 1.70 -0.21 2.79 -0.21 -0.17 -1.32 119.66 122.65 3gb4 s GLN 189 Ca -0.08 -0.74 0.01 0.00 0.02 0.00 0.00 55.36 54.58 3gb4 s GLN 189 Cb -0.12 -1.63 0.03 0.00 1.00 0.00 0.00 33.01 32.29 3gb4 s GLN 189 CO 0.02 0.44 -0.17 0.00 -2.12 0.00 0.00 175.29 173.45 3gb4 s ALA 190 N -0.46 2.42 -0.08 6.09 0.00 -0.63 -1.06 121.76 128.04 3gb4 s ALA 190 Ca 0.07 -1.39 -0.03 0.00 0.00 0.00 0.00 51.96 50.62 3gb4 s ALA 190 Cb -0.08 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 3gb4 s ALA 190 CO -0.01 -0.61 0.05 -0.51 0.00 0.00 0.00 175.76 174.68 3gb4 s LEU 191 N 1.24 3.83 0.00 0.00 1.02 -0.12 -1.58 118.68 123.07 3gb4 s LEU 191 Ca 0.01 0.22 0.02 0.00 0.02 0.00 0.00 54.13 54.40 3gb4 s LEU 191 Cb -0.15 -1.95 -0.01 0.00 0.02 0.00 0.00 46.19 44.10 3gb4 s LEU 191 CO -0.10 0.37 -0.06 -0.04 0.02 0.00 0.00 176.35 176.54 3gb4 s MET 192 N -1.07 0.45 -0.05 1.70 -1.94 -1.13 -1.87 119.30 115.40 3gb4 s MET 192 Ca 0.15 -0.28 -0.02 0.00 -1.71 0.00 0.00 55.69 53.83 3gb4 s MET 192 Cb -0.12 -0.41 0.04 0.00 2.01 0.00 0.00 34.83 36.35 3gb4 s MET 192 CO 0.05 0.11 0.11 0.21 -0.01 0.00 0.00 175.02 175.48 3gb4 s LYS 193 N -0.36 0.03 -0.41 2.03 2.20 -0.56 -2.03 119.74 120.65 3gb4 s LYS 193 Ca 0.00 0.36 -0.02 0.00 -0.36 0.00 0.00 55.97 55.95 3gb4 s LYS 193 Cb -0.03 -0.25 0.11 0.00 -1.51 0.00 0.00 37.83 36.14 3gb4 s LYS 193 CO -0.00 -0.21 0.19 0.42 -0.36 0.00 0.00 175.35 175.39 3gb4 s ILE 194 N 1.47 3.16 0.31 5.43 1.01 -0.25 -1.70 121.20 130.64 3gb4 s ILE 194 Ca -0.05 -2.13 -0.23 0.00 0.00 0.00 0.00 60.65 58.25 3gb4 s ILE 194 Cb -0.12 -3.18 -0.10 0.00 0.01 0.00 0.00 42.46 39.07 3gb4 s ILE 194 CO -0.05 -0.69 0.87 -2.16 0.00 0.00 0.00 174.94 172.91 3gb4 s PRO 195 N 1.07 4.38 -1.81 2.79 0.04 -1.26 -0.53 135.00 139.68 3gb4 s PRO 195 Ca 0.09 1.11 -0.20 0.00 0.04 0.00 0.00 61.00 62.04 3gb4 s PRO 195 Cb -0.22 -2.69 0.20 0.00 0.04 0.00 0.00 34.50 31.83 3gb4 s PRO 195 CO -0.05 0.25 0.60 0.41 0.04 0.00 0.00 177.00 178.25 3gb4 n GLY 196 N 0.32 -0.39 3.86 0.56 0.00 -0.97 -4.95 105.19 103.63 3gb4 n GLY 196 Ca 0.02 0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3gb4 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gb4 s GLY 197 N -3.36 2.52 0.06 -0.02 0.00 0.04 -4.61 107.32 101.95 3gb4 s GLY 197 Ca 0.74 -1.11 -0.30 0.00 0.00 0.00 0.00 44.72 44.04 3gb4 s GLY 197 CO 1.00 -2.00 1.00 -1.59 0.00 0.00 0.00 173.10 171.52 3gb4 s THR 198 N -2.78 4.58 0.43 0.90 2.01 -1.26 0.05 115.64 119.57 3gb4 s THR 198 Ca 0.28 1.98 -0.26 0.00 0.31 0.00 0.00 61.69 63.99 3gb4 s THR 198 Cb -0.01 -4.26 -0.09 0.00 0.01 0.00 0.00 72.50 68.15 3gb4 s THR 198 CO 0.17 0.22 1.45 -0.81 -0.69 0.00 0.00 174.62 174.96 3gb4 n PRO 199 N 3.39 2.37 -0.93 4.92 -0.04 -1.26 -4.60 135.00 138.85 3gb4 n PRO 199 Ca 0.05 0.84 -0.29 0.00 -0.04 0.00 0.00 63.50 64.06 3gb4 n PRO 199 Cb 0.50 -2.64 0.20 0.00 -0.04 0.00 0.00 33.50 31.51 3gb4 n PRO 199 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3gb4 s SER 200 N -0.37 2.03 0.26 3.54 1.04 -1.26 -4.67 113.70 114.27 3gb4 s SER 200 Ca 0.59 1.34 -0.02 0.00 0.48 0.00 0.00 55.95 58.34 3gb4 s SER 200 Cb -0.46 -2.05 0.44 0.00 0.10 0.00 0.00 66.02 64.06 3gb4 s SER 200 CO 0.59 -3.52 1.82 0.58 0.98 0.00 0.00 173.24 173.69 3gb4 h VAL 201 N -2.16 0.92 -0.00 5.02 2.07 -1.79 -0.12 116.25 120.19 3gb4 h VAL 201 Ca -0.57 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 3gb4 h VAL 201 Cb 1.33 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3gb4 h VAL 201 CO 0.54 0.16 -0.01 0.25 0.02 0.00 0.00 177.57 178.54 3gb4 h LEU 202 N 0.88 0.01 -2.04 2.57 5.85 -1.59 -2.95 115.31 118.04 3gb4 h LEU 202 Ca 0.43 -0.53 0.04 0.00 0.84 0.00 0.00 57.88 58.67 3gb4 h LEU 202 Cb 0.39 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3gb4 h LEU 202 CO -0.25 0.54 0.12 0.24 -0.34 0.00 0.00 178.44 178.74 3gb4 h MET 203 N -0.51 0.00 -0.35 1.25 2.86 -1.73 -0.86 114.93 115.59 3gb4 h MET 203 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3gb4 h MET 203 Cb 0.53 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 3gb4 h MET 203 CO 0.00 0.00 0.05 0.00 1.06 0.00 0.00 176.91 178.02 3gb4 h ALA 204 N 1.91 0.46 -0.51 6.32 0.00 -0.94 -2.03 119.26 124.47 3gb4 h ALA 204 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3gb4 h ALA 204 Cb 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3gb4 h ALA 204 CO -0.00 0.18 0.33 0.87 0.00 0.00 0.00 179.25 180.63 3gb4 h LYS 205 N 0.42 0.68 -0.45 0.00 1.57 -1.00 0.68 116.57 118.46 3gb4 h LYS 205 Ca 0.10 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 3gb4 h LYS 205 Cb 0.37 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3gb4 h LYS 205 CO 0.01 0.45 -0.06 0.74 -0.57 0.00 0.00 179.45 180.02 3gb4 h PHE 206 N 0.69 0.84 -0.41 -1.35 -1.00 -1.02 -2.07 116.94 112.62 3gb4 h PHE 206 Ca 0.19 -0.14 0.00 0.00 2.81 0.00 0.00 57.97 60.83 3gb4 h PHE 206 Cb -0.07 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.27 3gb4 h PHE 206 CO 0.00 0.81 0.00 1.28 -1.61 0.00 0.00 178.31 178.79 3gb4 n LEU 207 N -4.19 2.22 -2.96 1.54 4.77 -0.46 -4.95 117.00 112.98 3gb4 n LEU 207 Ca 0.02 -1.11 -0.05 0.00 -0.03 0.00 0.00 56.01 54.84 3gb4 n LEU 207 Cb 0.33 -0.28 0.02 0.00 -2.33 0.00 0.00 43.42 41.17 3gb4 n LEU 207 CO 0.42 0.55 0.21 0.54 -1.33 0.00 0.00 177.39 177.78 3gb4 n ARG 208 N 0.69 -1.48 -3.90 3.23 1.74 -0.07 -3.89 116.66 112.99 3gb4 n ARG 208 Ca 0.14 1.18 -0.25 0.00 -0.77 0.00 0.00 57.85 58.15 3gb4 n ARG 208 Cb 0.35 -5.35 -0.01 0.00 -1.02 0.00 0.00 32.46 26.44 3gb4 n ARG 208 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gb4 n GLY 209 N -1.54 -0.28 3.81 -0.13 0.00 0.03 -4.98 105.19 102.11 3gb4 n GLY 209 Ca -0.02 0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 3gb4 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gb4 s ALA 210 N -3.89 3.63 0.00 4.61 0.00 -1.25 -5.06 121.76 119.80 3gb4 s ALA 210 Ca 0.03 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.88 3gb4 s ALA 210 Cb -0.01 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.66 3gb4 s ALA 210 CO 0.87 0.61 0.00 0.09 0.00 0.00 0.00 175.76 177.33 3gb4 n ASN 211 N -0.06 0.17 -0.65 0.00 5.03 -1.26 -4.84 115.26 113.66 3gb4 n ASN 211 Ca -0.08 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.37 3gb4 n ASN 211 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 3gb4 n ASN 211 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 3gb4 n THR 212 N 0.00 -2.74 -1.28 3.41 -1.04 -1.26 -4.91 114.28 106.45 3gb4 n THR 212 Ca 0.00 0.97 -0.39 0.00 -2.04 0.00 0.00 64.05 62.59 3gb4 n THR 212 Cb 0.00 -1.45 0.01 0.00 -1.82 0.00 0.00 70.33 67.07 3gb4 n THR 212 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3gb4 n PRO 213 N -0.78 0.08 -3.78 -2.82 -0.02 -1.26 -4.64 135.00 121.78 3gb4 n PRO 213 Ca 0.00 0.03 -0.09 0.00 -2.02 0.00 0.00 63.50 61.42 3gb4 n PRO 213 Cb 0.00 -1.12 -0.06 0.00 -0.02 0.00 0.00 33.50 32.30 3gb4 n PRO 213 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gb4 s VAL 214 N -1.95 0.11 -0.13 -1.45 0.11 0.11 -3.57 120.40 113.62 3gb4 s VAL 214 Ca 0.59 -0.94 -0.01 0.00 -2.93 0.00 0.00 61.98 58.69 3gb4 s VAL 214 Cb -0.49 -1.25 -0.02 0.00 -1.53 0.00 0.00 36.38 33.10 3gb4 s VAL 214 CO 0.64 -0.52 -0.12 -1.81 -3.33 0.00 0.00 175.10 169.97 3gb4 s ASP 215 N -2.78 4.14 0.15 3.54 -0.00 0.53 -0.78 116.67 121.48 3gb4 s ASP 215 Ca 0.03 -0.29 0.10 0.00 -0.00 0.00 0.00 52.55 52.39 3gb4 s ASP 215 Cb 0.03 -1.63 -0.04 0.00 -0.00 0.00 0.00 42.92 41.29 3gb4 s ASP 215 CO -0.11 0.17 -0.19 0.00 -0.00 0.00 0.00 175.17 175.05 3gb4 s ALA 216 N 0.33 2.67 -0.02 5.23 0.00 0.31 -2.03 121.76 128.25 3gb4 s ALA 216 Ca -0.10 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.39 3gb4 s ALA 216 Cb -0.16 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.43 3gb4 s ALA 216 CO 0.05 0.51 0.01 -1.58 0.00 0.00 0.00 175.76 174.75 3gb4 s TRP 217 N -1.42 0.15 -0.37 0.00 0.51 -0.65 -1.09 118.94 116.08 3gb4 s TRP 217 Ca 0.20 0.04 0.00 0.00 -2.12 0.00 0.00 56.10 54.22 3gb4 s TRP 217 Cb -0.09 -0.24 0.13 0.00 -0.81 0.00 0.00 33.47 32.46 3gb4 s TRP 217 CO 0.11 -0.07 0.20 -0.80 -0.51 0.00 0.00 176.95 175.88 3gb4 s ASN 218 N 0.70 3.31 0.27 2.95 0.01 -0.86 -1.09 114.94 120.22 3gb4 s ASN 218 Ca -0.06 -2.21 0.07 0.00 -0.71 0.00 0.00 52.86 49.94 3gb4 s ASN 218 Cb -0.09 -0.63 -0.03 0.00 0.41 0.00 0.00 41.25 40.91 3gb4 s ASN 218 CO -0.02 -0.31 0.26 -1.81 -1.51 0.00 0.00 177.10 173.71 3gb4 s ASP 219 N 0.97 5.64 -0.18 -1.22 1.01 0.21 -2.82 116.67 120.28 3gb4 s ASP 219 Ca 0.17 -0.24 -0.15 0.00 0.71 0.00 0.00 52.55 53.03 3gb4 s ASP 219 Cb -0.23 -1.38 0.05 0.00 1.01 0.00 0.00 42.92 42.37 3gb4 s ASP 219 CO -0.04 -0.13 0.47 -0.51 0.21 0.00 0.00 175.17 175.16 3gb4 s ILE 220 N -2.15 -0.00 -0.09 0.77 2.07 -0.61 -0.05 121.20 121.13 3gb4 s ILE 220 Ca 0.35 0.02 0.02 0.00 -1.41 0.00 0.00 60.65 59.63 3gb4 s ILE 220 Cb -0.08 -0.66 -0.02 0.00 0.13 0.00 0.00 42.46 41.83 3gb4 s ILE 220 CO 0.26 0.01 -0.15 -0.60 -1.91 0.00 0.00 174.94 172.55 3gb4 s ARG 221 N 0.50 2.98 -0.08 3.50 3.52 -0.11 -1.61 118.95 127.65 3gb4 s ARG 221 Ca -0.02 -0.72 0.03 0.00 -0.13 0.00 0.00 55.73 54.88 3gb4 s ARG 221 Cb -0.04 -2.48 -0.02 0.00 -1.56 0.00 0.00 34.95 30.85 3gb4 s ARG 221 CO -0.02 0.37 -0.16 -0.46 -0.81 0.00 0.00 175.30 174.22 3gb4 s TRP 222 N -0.07 2.70 0.07 5.12 -0.00 -0.43 -1.47 118.94 124.86 3gb4 s TRP 222 Ca -0.03 -0.43 0.08 0.00 -0.00 0.00 0.00 56.10 55.72 3gb4 s TRP 222 Cb -0.14 -1.70 -0.03 0.00 -0.00 0.00 0.00 33.47 31.60 3gb4 s TRP 222 CO 0.04 -0.03 -0.21 -0.80 -0.00 0.00 0.00 176.95 175.95 3gb4 s ASN 223 N -0.24 2.54 0.00 5.86 0.01 -0.29 -2.61 114.94 120.22 3gb4 s ASN 223 Ca 0.01 -0.60 0.00 0.00 -0.71 0.00 0.00 52.86 51.56 3gb4 s ASN 223 Cb -0.13 -0.18 0.00 0.00 0.41 0.00 0.00 41.25 41.35 3gb4 s ASN 223 CO 0.03 0.12 0.00 1.17 -1.51 0.00 0.00 177.10 176.91 3gb4 n LYS 224 N 1.49 0.00 0.00 -0.60 4.81 -1.26 -3.13 118.16 119.48 3gb4 n LYS 224 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 3gb4 n LYS 224 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 3gb4 n LYS 224 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3gb4 n VAL 225 N 0.00 0.00 -2.73 3.15 0.31 -1.26 -4.49 118.33 113.31 3gb4 n VAL 225 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 3gb4 n VAL 225 Cb 0.00 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.01 3gb4 n VAL 225 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3gb4 n SER 226 N 5.08 -0.02 -4.24 4.52 3.41 -1.23 -4.95 113.62 116.18 3gb4 n SER 226 Ca 0.00 -2.30 -0.34 0.00 -0.26 0.00 0.00 58.87 55.97 3gb4 n SER 226 Cb 0.00 0.14 -0.15 0.00 -0.26 0.00 0.00 64.21 63.94 3gb4 n SER 226 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gb4 s ALA 227 N -1.74 2.55 0.07 7.33 0.00 -1.18 -2.14 121.76 126.65 3gb4 s ALA 227 Ca 0.21 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 51.09 3gb4 s ALA 227 Cb 0.40 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 3gb4 s ALA 227 CO -0.06 -0.23 -0.14 -1.64 0.00 0.00 0.00 175.76 173.68 3gb4 s MET 228 N 1.13 0.85 -0.07 0.00 -1.94 -0.56 -1.14 119.30 117.56 3gb4 s MET 228 Ca 0.01 -0.94 -0.01 0.00 -1.71 0.00 0.00 55.69 53.04 3gb4 s MET 228 Cb -0.14 -0.86 0.03 0.00 2.01 0.00 0.00 34.83 35.86 3gb4 s MET 228 CO -0.04 0.20 -0.01 -1.17 -0.01 0.00 0.00 175.02 173.98 3gb4 s LEU 229 N -1.66 0.67 0.57 -0.03 2.96 -0.54 -1.09 118.68 119.55 3gb4 s LEU 229 Ca -0.01 -0.11 0.10 0.00 -0.22 0.00 0.00 54.13 53.89 3gb4 s LEU 229 Cb -0.10 -0.48 0.09 0.00 0.50 0.00 0.00 46.19 46.20 3gb4 s LEU 229 CO 0.02 -0.18 0.78 0.54 -1.32 0.00 0.00 176.35 176.19 3gb4 s ASN 230 N 1.91 5.08 -0.18 3.68 2.20 0.59 -0.93 114.94 127.28 3gb4 s ASN 230 Ca 0.04 -0.87 -0.05 0.00 -0.94 0.00 0.00 52.86 51.05 3gb4 s ASN 230 Cb -0.12 0.32 0.07 0.00 -2.00 0.00 0.00 41.25 39.51 3gb4 s ASN 230 CO -0.05 -1.34 0.10 0.12 -2.94 0.00 0.00 177.10 172.99 3gb4 s PHE 231 N -2.68 0.17 -0.25 1.54 5.36 0.93 -2.20 117.98 120.86 3gb4 s PHE 231 Ca 0.61 -0.33 -0.04 0.00 -0.96 0.00 0.00 56.93 56.21 3gb4 s PHE 231 Cb -0.06 -0.69 0.01 0.00 -0.34 0.00 0.00 43.02 41.94 3gb4 s PHE 231 CO 0.38 -0.55 -0.02 0.42 -1.46 0.00 0.00 175.22 173.99 3gb4 s ILE 232 N 2.15 3.36 0.08 3.12 -1.09 -0.40 -0.62 121.20 127.80 3gb4 s ILE 232 Ca 0.03 -0.69 0.03 0.00 -2.23 0.00 0.00 60.65 57.79 3gb4 s ILE 232 Cb -0.16 -2.63 -0.03 0.00 -1.58 0.00 0.00 42.46 38.06 3gb4 s ILE 232 CO -0.12 0.28 -0.09 0.00 -1.23 0.00 0.00 174.94 173.79 3gb4 s ALA 233 N 1.44 0.95 -0.15 9.38 0.00 -0.25 -1.09 121.76 132.04 3gb4 s ALA 233 Ca 0.03 -1.14 -0.14 0.00 0.00 0.00 0.00 51.96 50.72 3gb4 s ALA 233 Cb -0.16 0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.08 3gb4 s ALA 233 CO -0.02 -0.09 0.41 0.54 0.00 0.00 0.00 175.76 176.59 3gb4 s VAL 234 N -2.54 -0.00 0.06 0.00 0.11 -1.14 -1.64 120.40 115.26 3gb4 s VAL 234 Ca 0.04 0.01 -0.25 0.00 -2.93 0.00 0.00 61.98 58.85 3gb4 s VAL 234 Cb -0.02 -0.57 0.06 0.00 -1.53 0.00 0.00 36.38 34.32 3gb4 s VAL 234 CO -0.01 0.00 0.60 0.00 -3.33 0.00 0.00 175.10 172.36 3gb4 s ALA 235 N 0.35 -1.57 0.99 1.54 0.00 -0.86 -3.99 121.76 118.23 3gb4 s ALA 235 Ca -0.01 0.77 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 3gb4 s ALA 235 Cb -0.03 0.47 0.19 0.00 0.00 0.00 0.00 23.12 23.75 3gb4 s ALA 235 CO -0.01 -0.57 1.09 -1.25 0.00 0.00 0.00 175.76 175.02 3gb4 s PRO 236 N -2.61 0.43 0.00 0.00 0.04 -1.26 -0.35 135.00 131.25 3gb4 s PRO 236 Ca -0.04 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.13 3gb4 s PRO 236 Cb -0.01 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.85 3gb4 s PRO 236 CO -0.03 -2.90 0.00 -1.91 0.04 0.00 0.00 177.00 172.20 3gb4 n GLU 237 N -4.38 0.00 -2.21 4.56 2.13 -1.23 -2.14 120.64 117.37 3gb4 n GLU 237 Ca 0.08 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.63 3gb4 n GLU 237 Cb 0.53 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.26 3gb4 n GLU 237 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gb4 n GLY 238 N 0.00 6.13 3.81 8.31 0.00 -1.26 -4.20 105.19 117.98 3gb4 n GLY 238 Ca 0.00 -2.69 -0.33 0.00 0.00 0.00 0.00 46.02 43.00 3gb4 n GLY 238 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gb4 s THR 239 N -5.11 3.96 0.23 2.61 -4.23 -0.91 -4.98 115.64 107.21 3gb4 s THR 239 Ca 0.50 1.15 -0.32 0.00 -1.18 0.00 0.00 61.69 61.85 3gb4 s THR 239 Cb 0.41 -3.49 -0.13 0.00 1.34 0.00 0.00 72.50 70.64 3gb4 s THR 239 CO -0.11 -0.33 1.57 -2.65 -0.54 0.00 0.00 174.62 172.56 3gb4 n PRO 240 N -1.11 2.40 0.07 3.99 -0.02 -1.26 -4.89 135.00 134.17 3gb4 n PRO 240 Ca 0.09 0.86 0.09 0.00 -2.02 0.00 0.00 63.50 62.51 3gb4 n PRO 240 Cb 0.53 -2.62 0.54 0.00 -0.02 0.00 0.00 33.50 31.93 3gb4 n PRO 240 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3gb4 h LYS 241 N 5.36 0.27 -0.29 -0.52 3.64 -1.98 -2.60 116.57 120.45 3gb4 h LYS 241 Ca -0.45 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 58.86 3gb4 h LYS 241 Cb 1.24 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 3gb4 h LYS 241 CO 0.84 0.18 -0.03 0.93 -2.27 0.00 0.00 179.45 179.10 3gb4 h GLU 242 N 0.28 0.53 -1.29 1.90 3.07 -2.03 -3.03 114.58 114.01 3gb4 h GLU 242 Ca 0.14 -0.18 -0.24 0.00 -0.50 0.00 0.00 59.36 58.57 3gb4 h GLU 242 Cb 0.20 -0.04 -0.12 0.00 -0.84 0.00 0.00 28.75 27.95 3gb4 h GLU 242 CO -0.03 0.70 0.31 1.04 -1.40 0.00 0.00 179.01 179.63 3gb4 n GLN 243 N -4.54 1.59 -4.16 2.33 1.13 -0.98 -4.91 117.38 107.83 3gb4 n GLN 243 Ca -0.03 -1.26 -0.32 0.00 -1.94 0.00 0.00 57.00 53.45 3gb4 n GLN 243 Cb 0.28 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 29.06 3gb4 n GLN 243 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3gb4 s SER 244 N 0.26 5.28 0.14 1.08 0.15 -1.15 -4.91 113.70 114.55 3gb4 s SER 244 Ca 0.24 -0.02 -0.31 0.00 0.70 0.00 0.00 55.95 56.56 3gb4 s SER 244 Cb 0.20 -1.39 -0.10 0.00 -1.71 0.00 0.00 66.02 63.02 3gb4 s SER 244 CO 0.02 0.23 1.67 -0.63 1.20 0.00 0.00 173.24 175.73 3gb4 s ILE 245 N -1.23 2.63 0.24 6.45 1.01 -1.26 -4.94 121.20 124.10 3gb4 s ILE 245 Ca 0.24 0.31 -0.13 0.00 0.00 0.00 0.00 60.65 61.07 3gb4 s ILE 245 Cb -0.12 -3.20 -0.00 0.00 0.01 0.00 0.00 42.46 39.15 3gb4 s ILE 245 CO 0.15 0.01 0.47 -1.38 0.00 0.00 0.00 174.94 174.20 3gb4 s HIS 246 N 1.89 0.33 -0.05 3.97 -3.43 -1.26 -2.87 115.29 113.87 3gb4 s HIS 246 Ca 0.74 -0.69 0.02 0.00 -0.80 0.00 0.00 55.06 54.33 3gb4 s HIS 246 Cb -0.44 0.20 0.02 0.00 -1.43 0.00 0.00 32.58 30.92 3gb4 s HIS 246 CO 0.33 -0.98 -0.08 0.45 -2.00 0.00 0.00 174.74 172.46 3gb4 s SER 247 N -3.01 1.22 -0.35 7.38 0.15 -0.25 -1.92 113.70 116.92 3gb4 s SER 247 Ca 0.21 -0.19 -0.12 0.00 0.70 0.00 0.00 55.95 56.55 3gb4 s SER 247 Cb -0.01 -0.55 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 3gb4 s SER 247 CO 0.08 -0.01 0.23 -0.13 1.20 0.00 0.00 173.24 174.60 3gb4 s ARG 248 N 0.72 3.22 -0.21 5.44 0.52 0.53 -1.28 118.95 127.89 3gb4 s ARG 248 Ca -0.12 -0.83 -0.15 0.00 -0.52 0.00 0.00 55.73 54.11 3gb4 s ARG 248 Cb -0.14 -3.77 -0.04 0.00 0.52 0.00 0.00 34.95 31.52 3gb4 s ARG 248 CO 0.01 -0.55 0.38 0.20 0.02 0.00 0.00 175.30 175.36 3gb4 s GLY 249 N 1.66 2.04 -0.13 -3.53 0.00 -0.93 -1.06 107.32 105.37 3gb4 s GLY 249 Ca 0.05 -0.59 -0.25 0.00 0.00 0.00 0.00 44.72 43.93 3gb4 s GLY 249 CO 0.09 0.82 0.79 -1.59 0.00 0.00 0.00 173.10 173.21 3gb4 s THR 250 N 1.42 4.94 -0.31 0.90 2.01 0.40 -0.30 115.64 124.69 3gb4 s THR 250 Ca 0.18 1.58 -0.02 0.00 0.31 0.00 0.00 61.69 63.73 3gb4 s THR 250 Cb -0.15 -4.11 0.12 0.00 0.01 0.00 0.00 72.50 68.37 3gb4 s THR 250 CO 0.08 0.11 0.17 -1.00 -0.69 0.00 0.00 174.62 173.29 3gb4 s HIS 251 N 1.66 0.37 -0.09 4.92 3.76 -0.25 -1.19 115.29 124.48 3gb4 s HIS 251 Ca 0.38 -1.06 0.04 0.00 -0.15 0.00 0.00 55.06 54.27 3gb4 s HIS 251 Cb -0.17 -0.86 0.00 0.00 1.11 0.00 0.00 32.58 32.66 3gb4 s HIS 251 CO 0.15 -0.84 -0.21 0.42 -0.85 0.00 0.00 174.74 173.41 3gb4 s ILE 252 N 1.79 1.81 -0.03 0.60 1.01 -0.26 -1.50 121.20 124.62 3gb4 s ILE 252 Ca 0.12 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.91 3gb4 s ILE 252 Cb -0.18 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 3gb4 s ILE 252 CO -0.24 0.51 -0.06 -0.76 0.00 0.00 0.00 174.94 174.38 3gb4 s LEU 253 N 0.39 3.22 -0.09 2.97 1.43 -0.91 -0.60 118.68 125.09 3gb4 s LEU 253 Ca -0.17 -0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 52.84 3gb4 s LEU 253 Cb -0.17 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.29 3gb4 s LEU 253 CO 0.07 0.32 0.01 -0.89 0.23 0.00 0.00 176.35 176.08 3gb4 s THR 254 N -0.93 0.40 0.34 5.49 2.01 -0.21 -4.75 115.64 117.99 3gb4 s THR 254 Ca 0.15 0.02 -0.28 0.00 0.31 0.00 0.00 61.69 61.89 3gb4 s THR 254 Cb -0.11 -0.61 -0.12 0.00 0.01 0.00 0.00 72.50 71.67 3gb4 s THR 254 CO 0.05 0.20 1.36 -2.65 -0.69 0.00 0.00 174.62 172.89 3gb4 n PRO 255 N 5.13 2.26 -0.04 4.92 -0.02 -1.26 0.02 135.00 146.02 3gb4 n PRO 255 Ca -0.07 0.80 -0.06 0.00 -2.02 0.00 0.00 63.50 62.14 3gb4 n PRO 255 Cb 0.50 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 3gb4 n PRO 255 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3gb4 n GLU 256 N 0.73 0.33 -3.77 -0.52 2.13 -0.06 -1.28 120.64 118.20 3gb4 n GLU 256 Ca 0.05 0.13 -0.19 0.00 0.66 0.00 0.00 57.16 57.81 3gb4 n GLU 256 Cb 0.36 -1.08 -0.05 0.00 0.27 0.00 0.00 31.44 30.94 3gb4 n GLU 256 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3gb4 n THR 257 N -4.09 0.00 0.16 6.31 -2.24 -0.93 -0.33 114.28 113.15 3gb4 n THR 257 Ca -0.10 -1.74 0.05 0.00 -2.27 0.00 0.00 64.05 59.99 3gb4 n THR 257 Cb 0.35 0.60 0.49 0.00 -2.10 0.00 0.00 70.33 69.66 3gb4 n THR 257 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3gb4 h GLU 258 N 0.00 0.18 -0.17 -0.78 4.57 -1.97 -3.01 114.58 113.39 3gb4 h GLU 258 Ca -0.24 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 57.89 3gb4 h GLU 258 Cb 0.89 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.43 3gb4 h GLU 258 CO 0.38 0.23 -0.04 0.00 -1.18 0.00 0.00 179.01 178.40 3gb4 n ALA 259 N -2.50 3.00 -3.03 2.92 0.00 -1.26 -4.31 120.51 115.32 3gb4 n ALA 259 Ca -0.01 -2.62 -0.12 0.00 0.00 0.00 0.00 53.44 50.70 3gb4 n ALA 259 Cb 0.18 -0.58 -0.07 0.00 0.00 0.00 0.00 19.45 18.98 3gb4 n ALA 259 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gb4 s SER 260 N -2.44 -0.18 0.18 0.00 1.04 -1.14 -2.11 113.70 109.07 3gb4 s SER 260 Ca 0.39 -0.17 -0.15 0.00 0.48 0.00 0.00 55.95 56.50 3gb4 s SER 260 Cb 0.33 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.86 3gb4 s SER 260 CO 0.04 -0.67 0.45 0.00 0.98 0.00 0.00 173.24 174.05 3gb4 s HIS 262 N -3.90 3.47 -0.19 0.00 3.76 0.10 -1.60 115.29 116.94 3gb4 s HIS 262 Ca 0.11 0.43 0.01 0.00 -0.15 0.00 0.00 55.06 55.46 3gb4 s HIS 262 Cb 0.00 -1.91 0.04 0.00 1.11 0.00 0.00 32.58 31.82 3gb4 s HIS 262 CO -0.02 0.64 -0.12 -0.47 -0.85 0.00 0.00 174.74 173.92 3gb4 s TYR 263 N -0.92 2.42 -0.24 1.40 6.04 0.12 -1.05 117.35 125.12 3gb4 s TYR 263 Ca 0.14 -1.54 -0.06 0.00 0.04 0.00 0.00 57.07 55.65 3gb4 s TYR 263 Cb -0.12 -1.66 -0.02 0.00 -1.04 0.00 0.00 41.96 39.12 3gb4 s TYR 263 CO 0.03 -0.74 0.03 -0.06 -1.54 0.00 0.00 175.55 173.28 3gb4 s PHE 264 N 1.40 3.04 0.22 4.97 0.40 0.23 -0.58 117.98 127.66 3gb4 s PHE 264 Ca 0.00 -0.58 0.09 0.00 -0.60 0.00 0.00 56.93 55.84 3gb4 s PHE 264 Cb -0.15 -2.19 -0.05 0.00 0.51 0.00 0.00 43.02 41.14 3gb4 s PHE 264 CO -0.09 -0.41 -0.17 -0.59 0.70 0.00 0.00 175.22 174.66 3gb4 s PHE 265 N 1.55 1.92 -0.08 0.36 -0.12 -0.77 -1.10 117.98 119.74 3gb4 s PHE 265 Ca 0.06 -0.48 -0.31 0.00 -0.05 0.00 0.00 56.93 56.15 3gb4 s PHE 265 Cb -0.15 -0.88 0.12 0.00 -0.63 0.00 0.00 43.02 41.48 3gb4 s PHE 265 CO 0.01 0.47 1.05 0.20 -0.05 0.00 0.00 175.22 176.90 3gb4 s GLY 266 N -3.25 -0.38 -0.08 1.99 0.00 -0.34 -1.27 107.32 104.01 3gb4 s GLY 266 Ca 0.24 1.22 0.00 0.00 0.00 0.00 0.00 44.72 46.18 3gb4 s GLY 266 CO 0.09 0.40 -0.06 -0.45 0.00 0.00 0.00 173.10 173.08 3gb4 s SER 267 N -2.39 1.65 -0.35 1.64 0.15 0.33 -0.46 113.70 114.27 3gb4 s SER 267 Ca 0.08 -0.22 -0.01 0.00 0.70 0.00 0.00 55.95 56.50 3gb4 s SER 267 Cb -0.01 -0.66 0.09 0.00 -1.71 0.00 0.00 66.02 63.73 3gb4 s SER 267 CO -0.06 -0.08 0.09 -0.44 1.20 0.00 0.00 173.24 173.95 3gb4 s SER 268 N 1.30 5.00 0.18 5.45 0.01 -0.22 -1.61 113.70 123.82 3gb4 s SER 268 Ca -0.04 -1.78 0.05 0.00 1.31 0.00 0.00 55.95 55.50 3gb4 s SER 268 Cb -0.14 -1.74 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 3gb4 s SER 268 CO -0.03 -0.40 0.16 0.00 0.41 0.00 0.00 173.24 173.38 3gb4 s ARG 269 N 1.13 2.94 -0.11 12.44 1.70 -0.29 -0.35 118.95 136.41 3gb4 s ARG 269 Ca 0.04 -0.90 0.14 0.00 -0.47 0.00 0.00 55.73 54.54 3gb4 s ARG 269 Cb -0.21 -2.64 0.46 0.00 -0.57 0.00 0.00 34.95 31.99 3gb4 s ARG 269 CO -0.04 0.47 1.38 0.27 -1.08 0.00 0.00 175.30 176.30 3gb4 n ASN 270 N -0.56 3.62 -4.14 -2.89 6.94 -0.81 -1.14 115.26 116.28 3gb4 n ASN 270 Ca -0.08 -2.58 -0.16 0.00 -0.02 0.00 0.00 54.58 51.73 3gb4 n ASN 270 Cb 0.55 -0.43 -0.12 0.00 -2.36 0.00 0.00 39.78 37.43 3gb4 n ASN 270 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3gb4 s PHE 271 N -2.05 1.04 -1.53 -2.53 -0.12 -1.26 -4.79 117.98 106.73 3gb4 s PHE 271 Ca 0.36 -0.50 -0.03 0.00 -0.05 0.00 0.00 56.93 56.71 3gb4 s PHE 271 Cb 0.26 -0.59 0.01 0.00 -0.63 0.00 0.00 43.02 42.07 3gb4 s PHE 271 CO 0.13 0.01 0.29 0.41 -0.05 0.00 0.00 175.22 176.00 3gb4 n GLY 272 N 1.24 -0.51 0.41 1.99 0.00 -1.26 -4.86 105.19 102.20 3gb4 n GLY 272 Ca -0.21 0.06 0.22 0.00 0.00 0.00 0.00 46.02 46.09 3gb4 n GLY 272 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gb4 h ILE 273 N -0.64 0.55 -0.40 -0.61 2.04 -1.90 -0.36 117.51 116.20 3gb4 h ILE 273 Ca -0.47 -0.14 -0.15 0.00 1.00 0.00 0.00 64.86 65.10 3gb4 h ILE 273 Cb 1.33 0.11 -0.09 0.00 -0.74 0.00 0.00 36.82 37.43 3gb4 h ILE 273 CO 0.54 0.07 0.03 0.47 0.00 0.00 0.00 178.15 179.26 3gb4 n ASP 274 N -4.61 3.17 -4.21 1.72 8.00 -1.26 -4.92 116.55 114.44 3gb4 n ASP 274 Ca 0.25 -3.48 -0.38 0.00 0.71 0.00 0.00 54.79 51.89 3gb4 n ASP 274 Cb 0.85 -0.63 -0.11 0.00 -0.02 0.00 0.00 41.12 41.21 3gb4 n ASP 274 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gb4 s ASP 275 N -2.16 5.36 0.53 -2.24 -1.08 -0.15 -4.97 116.67 111.96 3gb4 s ASP 275 Ca 0.45 -1.56 0.18 0.00 -0.52 0.00 0.00 52.55 51.11 3gb4 s ASP 275 Cb 0.39 -1.88 1.34 0.00 -1.46 0.00 0.00 42.92 41.32 3gb4 s ASP 275 CO 0.04 -0.46 2.16 -0.65 0.52 0.00 0.00 175.17 176.79 3gb4 h PRO 276 N 8.21 0.00 -0.04 4.34 0.11 -1.92 -1.52 132.00 141.19 3gb4 h PRO 276 Ca -0.20 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.77 3gb4 h PRO 276 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3gb4 h PRO 276 CO 0.68 0.00 -0.63 0.93 -0.21 0.00 0.00 178.00 178.77 3gb4 h GLU 277 N 0.00 0.14 -0.02 1.05 4.39 -1.95 -2.17 114.58 116.02 3gb4 h GLU 277 Ca 0.00 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.47 3gb4 h GLU 277 Cb 0.01 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3gb4 h GLU 277 CO -0.00 0.72 -0.61 1.98 -1.16 0.00 0.00 179.01 179.94 3gb4 h MET 278 N 0.10 0.07 -0.46 2.33 4.05 -1.61 -1.50 114.93 117.91 3gb4 h MET 278 Ca -0.01 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.33 3gb4 h MET 278 Cb 1.13 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.92 3gb4 h MET 278 CO 0.09 0.66 0.17 -0.44 0.23 0.00 0.00 176.91 177.62 3gb4 h ASP 279 N 0.05 0.65 -0.47 1.39 3.45 -1.22 -2.23 116.42 118.03 3gb4 h ASP 279 Ca -0.01 -0.18 -0.03 0.00 0.43 0.00 0.00 57.03 57.24 3gb4 h ASP 279 Cb 1.09 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 39.66 3gb4 h ASP 279 CO 0.08 0.66 0.19 1.23 -1.57 0.00 0.00 179.24 179.83 3gb4 h GLY 280 N 0.61 0.82 0.90 2.75 0.00 -0.98 -0.35 103.07 106.82 3gb4 h GLY 280 Ca 0.15 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 3gb4 h GLY 280 CO -0.01 0.40 0.04 -2.08 0.00 0.00 0.00 176.54 174.89 3gb4 h VAL 281 N 0.75 1.24 -0.33 4.60 2.07 -0.97 -0.60 116.25 123.02 3gb4 h VAL 281 Ca 0.18 -0.84 -0.11 0.00 0.82 0.00 0.00 66.70 66.75 3gb4 h VAL 281 Cb 0.18 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3gb4 h VAL 281 CO -0.01 0.28 -0.24 -0.07 0.02 0.00 0.00 177.57 177.54 3gb4 h LEU 282 N 0.36 0.66 -0.60 2.57 3.38 -1.04 -1.86 115.31 118.78 3gb4 h LEU 282 Ca 0.10 -0.23 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 3gb4 h LEU 282 Cb 0.36 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3gb4 h LEU 282 CO 0.01 0.88 -0.49 0.03 0.09 0.00 0.00 178.44 178.96 3gb4 h ARG 283 N 0.57 0.54 -0.49 1.13 3.08 -0.96 -1.83 114.38 116.41 3gb4 h ARG 283 Ca 0.08 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 59.76 3gb4 h ARG 283 Cb 0.72 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 3gb4 h ARG 283 CO 0.06 0.91 0.10 0.77 -1.07 0.00 0.00 179.97 180.73 3gb4 h SER 284 N 0.42 0.77 -0.49 7.04 0.02 -0.89 -1.78 113.55 118.63 3gb4 h SER 284 Ca 0.02 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 3gb4 h SER 284 Cb 1.01 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 3gb4 h SER 284 CO 0.09 0.82 0.24 -0.25 -1.14 0.00 0.00 176.83 176.59 3gb4 h TRP 285 N 0.68 0.71 -0.70 3.45 2.91 -1.24 -1.37 115.95 120.39 3gb4 h TRP 285 Ca 0.15 -0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.09 3gb4 h TRP 285 Cb 0.37 -0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 28.77 3gb4 h TRP 285 CO 0.03 0.56 0.25 1.96 -1.03 0.00 0.00 178.44 180.20 3gb4 h GLN 286 N 0.65 1.07 -0.26 2.65 4.20 -1.15 0.89 115.11 123.17 3gb4 h GLN 286 Ca 0.17 -0.22 -0.16 0.00 0.06 0.00 0.00 58.65 58.50 3gb4 h GLN 286 Cb 0.12 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3gb4 h GLN 286 CO -0.02 0.91 -0.49 0.00 -0.67 0.00 0.00 178.83 178.56 3gb4 h ALA 287 N 1.11 0.65 0.00 3.87 0.00 -1.21 -1.83 119.26 121.85 3gb4 h ALA 287 Ca 0.23 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3gb4 h ALA 287 Cb 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3gb4 h ALA 287 CO -0.01 0.68 -0.03 0.37 0.00 0.00 0.00 179.25 180.25 3gb4 h GLN 288 N 0.56 0.00 0.04 0.00 5.75 -1.10 -2.89 115.11 117.47 3gb4 h GLN 288 Ca 0.03 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 3gb4 h GLN 288 Cb 1.05 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.60 3gb4 h GLN 288 CO 0.10 1.00 -0.02 0.00 -2.65 0.00 0.00 178.83 177.26 3gb4 h ALA 289 N -0.01 -0.05 0.10 3.38 0.00 -0.96 -0.54 119.26 121.17 3gb4 h ALA 289 Ca -0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3gb4 h ALA 289 Cb 1.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3gb4 h ALA 289 CO -0.00 -0.06 -0.05 -0.07 0.00 0.00 0.00 179.25 179.07 3gb4 h LEU 290 N -0.99 -0.11 -2.22 0.00 4.07 -1.60 0.31 115.31 114.77 3gb4 h LEU 290 Ca -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 3gb4 h LEU 290 Cb 0.44 0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.20 3gb4 h LEU 290 CO 0.01 -0.02 -0.06 0.58 -1.08 0.00 0.00 178.44 177.87 3gb4 h VAL 291 N -0.25 0.44 0.00 1.22 2.07 -1.43 -3.16 116.25 115.14 3gb4 h VAL 291 Ca -0.01 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3gb4 h VAL 291 Cb 0.10 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3gb4 h VAL 291 CO 0.02 0.06 -0.04 0.29 0.02 0.00 0.00 177.57 177.92 3gb4 n LYS 292 N -3.59 0.02 0.13 1.57 5.02 -1.09 -4.57 118.16 115.65 3gb4 n LYS 292 Ca -0.02 0.01 -0.16 0.00 -2.02 0.00 0.00 58.31 56.12 3gb4 n LYS 292 Cb 0.17 -0.27 -0.09 0.00 -0.02 0.00 0.00 35.03 34.82 3gb4 n LYS 292 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3gb4 h GLU 293 N -0.04 -0.72 -0.74 1.97 5.08 -0.76 -1.17 114.58 118.18 3gb4 h GLU 293 Ca 0.00 0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3gb4 h GLU 293 Cb 0.04 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3gb4 h GLU 293 CO 0.00 -0.48 0.34 -0.44 -1.00 0.00 0.00 179.01 177.42 3gb4 h ASP 294 N -0.75 0.98 -0.75 1.42 3.32 -0.45 -2.84 116.42 117.35 3gb4 h ASP 294 Ca -0.00 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 56.96 3gb4 h ASP 294 Cb 0.75 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.00 3gb4 h ASP 294 CO -0.25 0.84 0.48 0.50 -1.72 0.00 0.00 179.24 179.09 3gb4 h LYS 295 N 1.06 0.90 -0.54 3.56 3.64 -1.45 -1.39 116.57 122.35 3gb4 h LYS 295 Ca 0.25 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3gb4 h LYS 295 Cb 0.14 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 3gb4 h LYS 295 CO -0.03 0.60 0.33 0.28 -2.27 0.00 0.00 179.45 178.36 3gb4 h VAL 296 N 0.93 1.07 0.27 2.00 2.07 -0.98 -0.60 116.25 121.00 3gb4 h VAL 296 Ca 0.30 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 3gb4 h VAL 296 Cb 0.02 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3gb4 h VAL 296 CO -0.11 0.12 -0.13 0.58 0.02 0.00 0.00 177.57 178.05 3gb4 h VAL 297 N 0.66 0.75 -0.17 2.57 2.07 -1.33 -2.67 116.25 118.12 3gb4 h VAL 297 Ca 0.21 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 3gb4 h VAL 297 Cb 0.00 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3gb4 h VAL 297 CO -0.09 0.13 -0.23 -0.37 0.02 0.00 0.00 177.57 177.04 3gb4 h VAL 298 N -0.75 1.24 -0.11 2.57 -1.51 -1.26 -1.73 116.25 114.70 3gb4 h VAL 298 Ca -0.04 -1.12 -0.13 0.00 -1.23 0.00 0.00 66.70 64.19 3gb4 h VAL 298 Cb 0.50 1.37 -0.01 0.00 -2.13 0.00 0.00 31.29 31.01 3gb4 h VAL 298 CO 0.06 0.34 -0.49 -0.33 -1.23 0.00 0.00 177.57 175.93 3gb4 h GLU 299 N 0.28 0.29 -0.27 5.19 5.08 -1.17 -0.93 114.58 123.05 3gb4 h GLU 299 Ca 0.05 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.12 3gb4 h GLU 299 Cb 0.57 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3gb4 h GLU 299 CO 0.04 0.72 -0.34 0.00 -1.00 0.00 0.00 179.01 178.42 3gb4 h ALA 300 N 1.26 0.90 -0.46 3.43 0.00 -1.09 -2.49 119.26 120.81 3gb4 h ALA 300 Ca 0.01 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 3gb4 h ALA 300 Cb 0.95 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3gb4 h ALA 300 CO 0.08 0.63 -0.21 0.82 0.00 0.00 0.00 179.25 180.57 3gb4 h ILE 301 N 0.49 1.27 -0.78 0.00 2.04 -0.97 -2.81 117.51 116.75 3gb4 h ILE 301 Ca 0.05 -1.36 0.01 0.00 1.00 0.00 0.00 64.86 64.56 3gb4 h ILE 301 Cb 0.83 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 3gb4 h ILE 301 CO 0.07 0.47 0.52 -0.08 0.00 0.00 0.00 178.15 179.13 3gb4 h GLU 302 N 0.79 1.02 0.00 2.37 4.57 -1.02 -0.18 114.58 122.12 3gb4 h GLU 302 Ca 0.10 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3gb4 h GLU 302 Cb 0.78 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3gb4 h GLU 302 CO 0.06 0.67 0.00 0.00 -1.18 0.00 0.00 179.01 178.57 3gb4 h ARG 303 N 1.05 0.00 -0.03 1.92 3.08 -1.19 -2.47 114.38 116.74 3gb4 h ARG 303 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3gb4 h ARG 303 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3gb4 h ARG 303 CO -0.07 0.00 -0.01 0.54 -1.07 0.00 0.00 179.97 179.37 3gb4 n ARG 304 N -2.37 2.28 -0.15 0.04 1.74 -0.10 -4.53 116.66 113.58 3gb4 n ARG 304 Ca 0.01 -1.90 -0.08 0.00 -0.77 0.00 0.00 57.85 55.11 3gb4 n ARG 304 Cb 0.19 -1.46 0.01 0.00 -1.02 0.00 0.00 32.46 30.18 3gb4 n ARG 304 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3gb4 h ARG 305 N 4.63 0.59 -0.49 5.56 2.43 -1.24 -2.10 114.38 123.76 3gb4 h ARG 305 Ca 0.00 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.20 3gb4 h ARG 305 Cb 0.99 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.35 3gb4 h ARG 305 CO 0.00 0.40 0.18 0.00 -1.51 0.00 0.00 179.97 179.04 3gb4 h ALA 306 N 1.16 0.60 -0.28 2.80 0.00 -1.79 -0.21 119.26 121.53 3gb4 h ALA 306 Ca 0.16 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3gb4 h ALA 306 Cb -0.06 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3gb4 h ALA 306 CO -0.03 -0.21 0.07 -0.92 0.00 0.00 0.00 179.25 178.15 3gb4 h TYR 307 N 0.35 0.47 -0.50 0.00 3.20 -1.82 -0.51 116.97 118.17 3gb4 h TYR 307 Ca 0.23 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 3gb4 h TYR 307 Cb 0.24 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3gb4 h TYR 307 CO -0.16 0.52 0.07 -0.39 -1.64 0.00 0.00 178.16 176.56 3gb4 h VAL 308 N 0.29 1.23 -0.09 1.81 -1.51 -0.99 -2.30 116.25 114.68 3gb4 h VAL 308 Ca 0.09 -0.88 -0.14 0.00 -1.23 0.00 0.00 66.70 64.54 3gb4 h VAL 308 Cb 0.28 0.77 0.01 0.00 -2.13 0.00 0.00 31.29 30.22 3gb4 h VAL 308 CO 0.00 0.32 -0.49 -0.33 -1.23 0.00 0.00 177.57 175.84 3gb4 h GLU 309 N 0.75 0.49 -0.95 5.19 5.08 -0.97 -2.78 114.58 121.37 3gb4 h GLU 309 Ca 0.16 -0.40 0.11 0.00 -1.00 0.00 0.00 59.36 58.22 3gb4 h GLU 309 Cb 0.35 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.62 3gb4 h GLU 309 CO 0.01 1.04 0.61 0.00 -1.00 0.00 0.00 179.01 179.67 3gb4 h ALA 310 N 0.45 1.57 -1.23 3.43 0.00 -0.99 -3.39 119.26 119.10 3gb4 h ALA 310 Ca -0.04 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.42 3gb4 h ALA 310 Cb 1.14 -0.22 0.04 0.00 0.00 0.00 0.00 17.79 18.76 3gb4 h ALA 310 CO 0.10 0.22 -0.07 -0.80 0.00 0.00 0.00 179.25 178.70 3gb4 s ASN 311 N -5.81 5.05 -0.72 0.00 0.01 -0.88 -5.01 114.94 107.59 3gb4 s ASN 311 Ca -0.11 -0.50 -0.01 0.00 -0.71 0.00 0.00 52.86 51.52 3gb4 s ASN 311 Cb 0.21 -0.17 0.41 0.00 0.41 0.00 0.00 41.25 42.12 3gb4 s ASN 311 CO 0.80 -1.33 1.98 0.61 -1.51 0.00 0.00 177.10 177.65 3gb4 n GLY 312 N -2.33 5.77 3.70 0.66 0.00 -1.25 -4.78 105.19 106.95 3gb4 n GLY 312 Ca 0.13 -2.40 -0.42 0.00 0.00 0.00 0.00 46.02 43.32 3gb4 n GLY 312 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gb4 s ILE 313 N -4.93 4.28 0.09 -0.61 1.01 -1.05 -5.04 121.20 114.94 3gb4 s ILE 313 Ca 0.59 1.62 0.10 0.00 0.00 0.00 0.00 60.65 62.95 3gb4 s ILE 313 Cb 0.48 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 3gb4 s ILE 313 CO -0.17 0.06 -0.24 -0.13 0.00 0.00 0.00 174.94 174.47 3gb4 s ARG 314 N 1.65 1.67 0.49 2.79 0.52 -1.26 -4.79 118.95 120.02 3gb4 s ARG 314 Ca 0.56 -1.20 -0.22 0.00 -0.52 0.00 0.00 55.73 54.35 3gb4 s ARG 314 Cb -0.26 -2.01 -0.07 0.00 0.52 0.00 0.00 34.95 33.14 3gb4 s ARG 314 CO 0.25 0.48 1.15 -1.25 0.02 0.00 0.00 175.30 175.96 3gb4 s PRO 315 N -1.80 3.60 -0.38 3.54 0.04 -1.26 -5.01 135.00 133.74 3gb4 s PRO 315 Ca 0.14 1.71 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 3gb4 s PRO 315 Cb -0.10 -2.25 0.02 0.00 0.04 0.00 0.00 34.50 32.20 3gb4 s PRO 315 CO 0.06 -0.66 0.23 0.00 0.04 0.00 0.00 177.00 176.67 3gb4 s ALA 316 N -1.63 3.36 0.40 8.56 0.00 -1.26 -5.08 121.76 126.11 3gb4 s ALA 316 Ca 0.67 -1.66 -0.23 0.00 0.00 0.00 0.00 51.96 50.73 3gb4 s ALA 316 Cb -0.27 -2.67 -0.09 0.00 0.00 0.00 0.00 23.12 20.09 3gb4 s ALA 316 CO 0.32 -1.33 1.01 -1.64 0.00 0.00 0.00 175.76 174.11 3gb4 s MET 317 N 1.61 4.22 0.56 0.00 -1.94 -1.26 -5.08 119.30 117.41 3gb4 s MET 317 Ca 0.03 1.38 0.05 0.00 -1.71 0.00 0.00 55.69 55.44 3gb4 s MET 317 Cb -0.19 -2.47 0.04 0.00 2.01 0.00 0.00 34.83 34.22 3gb4 s MET 317 CO 0.08 -0.07 0.37 -0.51 -0.01 0.00 0.00 175.02 174.88 3gb4 s LEU 318 N -2.72 2.58 0.57 -0.03 1.43 -1.26 -5.02 118.68 114.23 3gb4 s LEU 318 Ca 0.58 -1.34 0.34 0.00 -1.03 0.00 0.00 54.13 52.69 3gb4 s LEU 318 Cb -0.18 -1.07 1.72 0.00 0.03 0.00 0.00 46.19 46.69 3gb4 s LEU 318 CO 0.23 -1.14 2.14 0.77 0.23 0.00 0.00 176.35 178.58 3gb4 h SER 319 N 0.76 0.00 0.11 2.29 4.64 -2.06 -2.64 113.55 116.65 3gb4 h SER 319 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3gb4 h SER 319 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3gb4 h SER 319 CO 0.58 0.05 -0.06 0.00 -0.87 0.00 0.00 176.83 176.53 3gb4 n ASP 321 N -0.41 1.31 -0.05 0.00 8.00 -1.00 -4.57 116.55 119.83 3gb4 n ASP 321 Ca 0.18 -1.33 -0.13 0.00 0.71 0.00 0.00 54.79 54.22 3gb4 n ASP 321 Cb 0.29 0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.34 3gb4 n ASP 321 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3gb4 h GLU 322 N 1.97 -0.45 -0.22 -1.24 4.81 -1.79 0.52 114.58 118.18 3gb4 h GLU 322 Ca 0.00 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3gb4 h GLU 322 Cb 0.47 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 3gb4 h GLU 322 CO 0.00 -0.30 -0.03 0.00 -0.73 0.00 0.00 179.01 177.95 3gb4 h ALA 323 N 0.06 0.17 -0.72 2.92 0.00 -1.86 -1.33 119.26 118.49 3gb4 h ALA 323 Ca 0.08 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3gb4 h ALA 323 Cb 0.63 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3gb4 h ALA 323 CO -0.48 -0.45 0.45 0.00 0.00 0.00 0.00 179.25 178.77 3gb4 h ALA 324 N 1.21 0.91 -0.84 0.00 0.00 -1.67 -1.47 119.26 117.40 3gb4 h ALA 324 Ca 0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3gb4 h ALA 324 Cb 0.15 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3gb4 h ALA 324 CO -0.20 0.37 0.40 0.28 0.00 0.00 0.00 179.25 180.09 3gb4 h VAL 325 N 0.98 1.26 -0.32 0.00 2.07 -0.54 0.21 116.25 119.91 3gb4 h VAL 325 Ca 0.26 -0.74 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 3gb4 h VAL 325 Cb -0.06 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 3gb4 h VAL 325 CO -0.05 0.32 -0.04 0.03 0.02 0.00 0.00 177.57 177.85 3gb4 h ARG 326 N 1.21 0.58 -0.68 1.57 3.08 -0.86 -1.11 114.38 118.17 3gb4 h ARG 326 Ca 0.29 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3gb4 h ARG 326 Cb 0.13 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3gb4 h ARG 326 CO -0.04 0.74 0.31 0.28 -1.07 0.00 0.00 179.97 180.20 3gb4 h VAL 327 N 0.37 1.23 -0.82 2.04 2.07 -1.06 -1.06 116.25 119.02 3gb4 h VAL 327 Ca 0.09 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 66.95 3gb4 h VAL 327 Cb 0.50 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 3gb4 h VAL 327 CO 0.02 0.28 0.54 -1.28 0.02 0.00 0.00 177.57 177.15 3gb4 h SER 328 N 0.96 0.88 0.32 0.57 0.87 -0.76 -0.99 113.55 115.40 3gb4 h SER 328 Ca 0.23 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.61 3gb4 h SER 328 Cb 0.15 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 3gb4 h SER 328 CO -0.03 0.61 -0.70 0.03 -0.53 0.00 0.00 176.83 176.22 3gb4 h ARG 329 N 1.02 0.33 -0.51 2.24 3.08 -0.56 -2.36 114.38 117.62 3gb4 h ARG 329 Ca 0.32 -0.26 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 3gb4 h ARG 329 Cb 0.01 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3gb4 h ARG 329 CO -0.09 0.90 -0.15 0.93 -1.07 0.00 0.00 179.97 180.49 3gb4 h GLU 330 N 0.23 1.01 -0.64 0.04 4.39 -0.43 -1.91 114.58 117.26 3gb4 h GLU 330 Ca -0.02 -0.40 -0.06 0.00 0.34 0.00 0.00 59.36 59.22 3gb4 h GLU 330 Cb 1.25 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.83 3gb4 h GLU 330 CO 0.11 1.08 0.16 0.82 -1.16 0.00 0.00 179.01 180.02 3gb4 h ILE 331 N 0.87 1.25 -0.52 3.13 2.04 -1.16 -2.10 117.51 121.03 3gb4 h ILE 331 Ca 0.13 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 65.08 3gb4 h ILE 331 Cb 0.72 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3gb4 h ILE 331 CO 0.06 0.35 0.34 -0.08 0.00 0.00 0.00 178.15 178.81 3gb4 h GLU 332 N 0.94 0.66 -0.86 2.37 4.81 -1.24 -1.51 114.58 119.75 3gb4 h GLU 332 Ca 0.20 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3gb4 h GLU 332 Cb 0.35 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 3gb4 h GLU 332 CO 0.00 0.44 0.57 0.87 -0.73 0.00 0.00 179.01 180.16 3gb4 h LYS 333 N 0.68 1.13 -0.27 1.92 1.57 -1.09 -1.12 116.57 119.40 3gb4 h LYS 333 Ca 0.19 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 3gb4 h LYS 333 Cb -0.06 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 31.98 3gb4 h LYS 333 CO -0.05 0.75 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.30 3gb4 h LEU 334 N 1.17 0.49 -0.48 2.94 3.38 -0.69 0.38 115.31 122.49 3gb4 h LEU 334 Ca 0.31 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 3gb4 h LEU 334 Cb -0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3gb4 h LEU 334 CO -0.07 0.71 -0.20 -0.33 0.09 0.00 0.00 178.44 178.64 3gb4 h GLU 335 N 0.44 1.00 -0.16 1.13 5.08 -0.36 -2.42 114.58 119.28 3gb4 h GLU 335 Ca 0.07 -0.42 -0.12 0.00 -1.00 0.00 0.00 59.36 57.89 3gb4 h GLU 335 Cb 0.61 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3gb4 h GLU 335 CO 0.04 1.10 -0.37 1.96 -1.00 0.00 0.00 179.01 180.74 3gb4 h GLN 336 N 0.85 0.54 -0.22 2.33 4.20 -0.94 -1.64 115.11 120.23 3gb4 h GLN 336 Ca 0.11 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.47 3gb4 h GLN 336 Cb 0.78 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 3gb4 h GLN 336 CO 0.07 0.97 0.15 -0.07 -0.67 0.00 0.00 178.83 179.28 3gb4 h LEU 337 N 0.18 0.25 0.22 1.46 3.38 -0.93 -0.94 115.31 118.93 3gb4 h LEU 337 Ca 0.00 -0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.64 3gb4 h LEU 337 Cb 0.97 -0.06 0.03 0.00 0.09 0.00 0.00 40.66 41.69 3gb4 h LEU 337 CO 0.08 0.18 -1.42 -0.08 0.09 0.00 0.00 178.44 177.28 3gb4 h GLU 338 N 0.29 0.50 0.00 1.13 4.81 -1.36 -3.25 114.58 116.70 3gb4 h GLU 338 Ca 0.08 -0.83 -0.04 0.00 -0.13 0.00 0.00 59.36 58.43 3gb4 h GLU 338 Cb -0.02 0.31 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3gb4 h GLU 338 CO -0.02 1.40 -0.21 0.00 -0.73 0.00 0.00 179.01 179.45 3gb4 h ALA 339 N 0.25 1.20 -0.03 2.92 0.00 -0.84 -1.28 119.26 121.47 3gb4 h ALA 339 Ca -0.23 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3gb4 h ALA 339 Cb 2.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.88 3gb4 h ALA 339 CO 0.26 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.77 3gb4 n ALA 340 N -2.29 2.56 -0.08 0.00 0.00 -0.40 -3.29 120.51 117.02 3gb4 n ALA 340 Ca -0.01 -0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 3gb4 n ALA 340 Cb 0.34 -1.18 -0.09 0.00 0.00 0.00 0.00 19.45 18.52 3gb4 n ALA 340 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3gb4 n ARG 341 N -0.55 0.81 0.00 0.00 3.00 -0.49 -5.07 116.66 114.36 3gb4 n ARG 341 Ca 0.10 0.07 0.00 0.00 -0.00 0.00 0.00 57.85 58.02 3gb4 n ARG 341 Cb 0.08 -1.35 0.00 0.00 0.00 0.00 0.00 32.46 31.19 3gb4 n ARG 341 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10