#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3if6 s VAL 26 N 0.00 4.80 -0.19 2.52 1.01 -0.43 -5.01 120.40 123.10 3if6 s VAL 26 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 3if6 s VAL 26 Cb 0.00 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3if6 s VAL 26 CO 0.00 0.52 0.07 -0.63 0.00 0.00 0.00 175.10 175.06 3if6 s ILE 27 N -1.03 4.79 -0.68 2.22 -1.09 -1.26 -0.98 121.20 123.17 3if6 s ILE 27 Ca 0.17 -0.03 -0.07 0.00 -2.23 0.00 0.00 60.65 58.49 3if6 s ILE 27 Cb -0.12 -3.17 0.18 0.00 -1.58 0.00 0.00 42.46 37.77 3if6 s ILE 27 CO 0.07 0.44 0.54 -0.13 -1.23 0.00 0.00 174.94 174.63 3if6 s ARG 28 N 0.53 2.92 0.24 2.79 1.81 0.17 -4.90 118.95 122.51 3if6 s ARG 28 Ca 0.04 -2.42 -0.01 0.00 -1.72 0.00 0.00 55.73 51.61 3if6 s ARG 28 Cb -0.13 -4.00 0.28 0.00 -0.45 0.00 0.00 34.95 30.66 3if6 s ARG 28 CO 0.01 -1.22 1.66 0.77 -0.68 0.00 0.00 175.30 175.84 3if6 h SER 29 N 7.45 0.63 0.11 0.23 0.02 -1.97 -2.48 113.55 117.53 3if6 h SER 29 Ca 0.00 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3if6 h SER 29 Cb 1.00 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.36 3if6 h SER 29 CO 0.74 0.87 0.00 -0.90 -1.14 0.00 0.00 176.83 176.41 3if6 n ASP 30 N -4.10 0.00 0.06 3.07 3.85 -1.26 -2.32 116.55 115.85 3if6 n ASP 30 Ca -0.00 0.50 0.12 0.00 -0.71 0.00 0.00 54.79 54.70 3if6 n ASP 30 Cb 0.44 -0.50 0.48 0.00 -1.35 0.00 0.00 41.12 40.19 3if6 n ASP 30 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 3if6 n TRP 31 N -1.50 0.46 -0.29 2.11 8.01 -0.94 -3.95 117.44 121.34 3if6 n TRP 31 Ca 0.01 0.15 -0.04 0.00 -1.31 0.00 0.00 57.50 56.30 3if6 n TRP 31 Cb 0.04 -0.74 0.07 0.00 -2.01 0.00 0.00 31.31 28.67 3if6 n TRP 31 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.69 176.46 3if6 h LYS 32 N 0.00 1.06 -1.03 -0.99 3.64 -1.66 -2.86 116.57 114.74 3if6 h LYS 32 Ca 0.00 -0.08 0.29 0.00 -1.27 0.00 0.00 60.65 59.59 3if6 h LYS 32 Cb 0.52 -0.23 -0.13 0.00 -0.41 0.00 0.00 32.23 31.98 3if6 h LYS 32 CO 0.00 0.73 0.61 1.57 -2.27 0.00 0.00 179.45 180.09 3if6 h LYS 33 N 1.08 0.41 -0.32 1.90 2.10 -1.82 0.21 116.57 120.13 3if6 h LYS 33 Ca 0.29 -0.02 -0.04 0.00 -2.00 0.00 0.00 60.65 58.87 3if6 h LYS 33 Cb -0.08 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.15 3if6 h LYS 33 CO -0.06 0.27 0.04 0.74 -2.00 0.00 0.00 179.45 178.44 3if6 h PHE 34 N 0.42 0.58 0.14 0.07 0.04 -1.78 0.16 116.94 116.57 3if6 h PHE 34 Ca 0.69 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 61.36 3if6 h PHE 34 Cb 1.53 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 39.52 3if6 h PHE 34 CO -0.01 0.63 -0.07 0.74 -0.60 0.00 0.00 178.31 179.00 3if6 h PHE 35 N 0.36 -0.18 0.00 -0.55 -1.00 -1.46 -3.31 116.94 110.81 3if6 h PHE 35 Ca 0.10 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.84 3if6 h PHE 35 Cb 0.37 0.06 -0.00 0.00 3.61 0.00 0.00 35.95 39.99 3if6 h PHE 35 CO 0.03 0.12 -0.15 0.66 -1.61 0.00 0.00 178.31 177.36 3if6 h SER 36 N -0.48 0.00 0.66 2.17 4.64 -0.50 -0.38 113.55 119.66 3if6 h SER 36 Ca -0.02 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.25 3if6 h SER 36 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 3if6 h SER 36 CO 0.03 0.15 -0.25 0.44 -0.87 0.00 0.00 176.83 176.33 3if6 h ASP 37 N 0.00 0.00 -0.48 4.97 3.45 -0.78 -2.36 116.42 121.22 3if6 h ASP 37 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3if6 h ASP 37 Cb 0.44 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.21 3if6 h ASP 37 CO 0.02 0.25 0.00 0.18 -1.57 0.00 0.00 179.24 178.12 3if6 n LEU 38 N -3.59 4.35 -3.38 1.55 4.77 -0.67 -4.96 117.00 115.07 3if6 n LEU 38 Ca -0.01 -2.58 -0.24 0.00 -0.03 0.00 0.00 56.01 53.15 3if6 n LEU 38 Cb 0.39 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3if6 n LEU 38 CO 0.34 0.74 -0.02 0.00 -1.33 0.00 0.00 177.39 177.12 3if6 n GLN 39 N 0.52 -3.70 -3.79 3.23 3.00 -0.89 -4.99 117.38 110.77 3if6 n GLN 39 Ca 0.22 0.53 -0.22 0.00 -0.01 0.00 0.00 57.00 57.52 3if6 n GLN 39 Cb 0.85 -5.27 -0.02 0.00 0.00 0.00 0.00 30.24 25.80 3if6 n GLN 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3if6 s ALA 40 N -3.00 3.86 -0.18 -1.58 0.00 -0.24 -4.98 121.76 115.64 3if6 s ALA 40 Ca 0.42 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 51.27 3if6 s ALA 40 Cb -0.22 -1.85 0.02 0.00 0.00 0.00 0.00 23.12 21.08 3if6 s ALA 40 CO 0.51 0.19 -0.18 -1.21 0.00 0.00 0.00 175.76 175.07 3if6 s GLU 41 N -4.01 2.80 0.00 0.00 0.41 -1.26 -4.33 118.70 112.30 3if6 s GLU 41 Ca 0.36 -0.82 0.00 0.00 -0.41 0.00 0.00 54.97 54.10 3if6 s GLU 41 Cb -0.09 -2.51 0.00 0.00 -1.78 0.00 0.00 34.13 29.74 3if6 s GLU 41 CO 0.31 -0.25 0.00 0.41 -0.49 0.00 0.00 175.26 175.24 3if6 n GLY 42 N 4.63 1.65 2.96 -1.39 0.00 -1.26 -1.20 105.19 110.59 3if6 n GLY 42 Ca -0.20 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 3if6 n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3if6 s ALA 43 N -1.00 0.32 -0.01 4.61 0.00 -0.56 -4.72 121.76 120.40 3if6 s ALA 43 Ca 0.00 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 51.68 3if6 s ALA 43 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 3if6 s ALA 43 CO 0.00 0.02 -0.18 -1.50 0.00 0.00 0.00 175.76 174.10 3if6 s ILE 44 N -0.53 1.40 -0.13 0.00 2.07 -1.14 -0.96 121.20 121.91 3if6 s ILE 44 Ca -0.03 -0.78 0.00 0.00 -1.41 0.00 0.00 60.65 58.43 3if6 s ILE 44 Cb -0.04 -1.17 -0.01 0.00 0.13 0.00 0.00 42.46 41.37 3if6 s ILE 44 CO -0.00 0.38 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.58 3if6 s VAL 45 N -0.44 2.92 -0.22 4.00 1.01 -0.33 -1.26 120.40 126.08 3if6 s VAL 45 Ca 0.07 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3if6 s VAL 45 Cb -0.07 -2.22 0.06 0.00 0.00 0.00 0.00 36.38 34.14 3if6 s VAL 45 CO -0.01 0.52 -0.06 -0.63 0.00 0.00 0.00 175.10 174.93 3if6 s ILE 46 N 0.43 1.46 -0.76 2.22 -1.09 -0.68 -1.22 121.20 121.56 3if6 s ILE 46 Ca -0.11 -1.10 -0.17 0.00 -2.23 0.00 0.00 60.65 57.05 3if6 s ILE 46 Cb -0.16 -1.70 0.16 0.00 -1.58 0.00 0.00 42.46 39.18 3if6 s ILE 46 CO 0.05 -0.04 0.80 0.00 -1.23 0.00 0.00 174.94 174.53 3if6 s ALA 47 N 1.44 3.71 -0.43 9.38 0.00 -0.39 -1.52 121.76 133.95 3if6 s ALA 47 Ca -0.04 -2.84 -0.28 0.00 0.00 0.00 0.00 51.96 48.80 3if6 s ALA 47 Cb -0.18 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.33 3if6 s ALA 47 CO -0.07 -2.42 1.50 0.34 0.00 0.00 0.00 175.76 175.11 3if6 s ASP 48 N 3.02 6.19 -0.31 0.00 -1.08 -0.73 -1.06 116.67 122.69 3if6 s ASP 48 Ca 0.18 0.82 0.09 0.00 -0.52 0.00 0.00 52.55 53.11 3if6 s ASP 48 Cb -0.15 -2.54 0.54 0.00 -1.46 0.00 0.00 42.92 39.32 3if6 s ASP 48 CO -0.04 -1.56 1.54 -0.62 0.52 0.00 0.00 175.17 175.01 3if6 n GLU 49 N 8.27 2.03 0.25 4.34 1.02 0.14 -1.99 120.64 134.70 3if6 n GLU 49 Ca 0.17 -3.13 0.14 0.00 -0.02 0.00 0.00 57.16 54.32 3if6 n GLU 49 Cb 0.48 -1.89 0.51 0.00 -0.02 0.00 0.00 31.44 30.52 3if6 n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3if6 h ARG 50 N 1.11 0.00 -5.20 3.49 3.08 -1.82 -3.38 114.38 111.66 3if6 h ARG 50 Ca 0.27 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.64 3if6 h ARG 50 Cb 1.85 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.78 3if6 h ARG 50 CO 0.50 0.07 -0.47 -0.65 -1.07 0.00 0.00 179.97 178.34 3if6 s GLN 51 N -3.55 2.24 0.22 0.04 -0.21 -1.26 -4.45 119.66 112.69 3if6 s GLN 51 Ca 0.02 -2.41 -0.07 0.00 0.02 0.00 0.00 55.36 52.92 3if6 s GLN 51 Cb 0.08 -1.58 0.30 0.00 1.00 0.00 0.00 33.01 32.82 3if6 s GLN 51 CO 0.60 -0.45 1.80 0.00 -2.12 0.00 0.00 175.29 175.12 3if6 h ALA 52 N 1.20 0.99 -1.67 6.09 0.00 -1.95 -3.32 119.26 120.60 3if6 h ALA 52 Ca -0.43 0.03 -0.64 0.00 0.00 0.00 0.00 54.91 53.87 3if6 h ALA 52 Cb 1.33 -0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.86 3if6 h ALA 52 CO 0.71 0.05 0.76 -1.59 0.00 0.00 0.00 179.25 179.18 3if6 s LYS 53 N -6.07 3.32 0.30 0.00 0.00 -1.26 -5.03 119.74 111.00 3if6 s LYS 53 Ca -0.13 -1.13 -0.29 0.00 0.00 0.00 0.00 55.97 54.42 3if6 s LYS 53 Cb 0.17 -4.56 -0.10 0.00 0.00 0.00 0.00 37.83 33.34 3if6 s LYS 53 CO 0.77 -1.86 1.40 -1.01 0.00 0.00 0.00 175.35 174.64 3if6 s HIS 54 N 3.80 2.96 0.09 1.78 3.76 -1.25 -4.89 115.29 121.54 3if6 s HIS 54 Ca 0.29 1.20 0.07 0.00 -0.15 0.00 0.00 55.06 56.47 3if6 s HIS 54 Cb -0.11 -3.80 -0.04 0.00 1.11 0.00 0.00 32.58 29.75 3if6 s HIS 54 CO 0.02 -2.40 -0.14 0.95 -0.85 0.00 0.00 174.74 172.32 3if6 s THR 55 N -0.64 3.08 -0.21 1.30 -4.23 -0.84 -5.02 115.64 109.08 3if6 s THR 55 Ca 0.54 -1.30 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 3if6 s THR 55 Cb -0.42 -2.39 0.05 0.00 1.34 0.00 0.00 72.50 71.08 3if6 s THR 55 CO 0.50 0.18 -0.06 -0.22 -0.54 0.00 0.00 174.62 174.48 3if6 s LEU 56 N -1.96 2.20 0.15 4.79 2.96 -1.26 -1.78 118.68 123.78 3if6 s LEU 56 Ca 0.18 -0.96 0.10 0.00 -0.22 0.00 0.00 54.13 53.24 3if6 s LEU 56 Cb -0.11 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 3if6 s LEU 56 CO 0.10 -0.20 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.28 3if6 s SER 57 N 1.47 3.67 0.01 3.68 0.01 -0.57 -1.32 113.70 120.64 3if6 s SER 57 Ca -0.03 -0.70 -0.07 0.00 1.31 0.00 0.00 55.95 56.47 3if6 s SER 57 Cb -0.17 -0.40 -0.00 0.00 0.21 0.00 0.00 66.02 65.65 3if6 s SER 57 CO -0.07 0.15 0.12 -0.69 0.41 0.00 0.00 173.24 173.16 3if6 s VAL 58 N -1.35 0.09 -0.11 3.43 1.01 -0.16 -1.69 120.40 121.61 3if6 s VAL 58 Ca 0.19 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.46 3if6 s VAL 58 Cb -0.09 -0.46 -0.00 0.00 0.00 0.00 0.00 36.38 35.83 3if6 s VAL 58 CO 0.10 -0.40 -0.21 0.12 0.00 0.00 0.00 175.10 174.71 3if6 s PHE 59 N -1.49 2.64 -0.52 5.22 5.36 -0.39 0.44 117.98 129.25 3if6 s PHE 59 Ca -0.14 -0.97 -0.08 0.00 -0.96 0.00 0.00 56.93 54.77 3if6 s PHE 59 Cb -0.07 -1.76 0.01 0.00 -0.34 0.00 0.00 43.02 40.86 3if6 s PHE 59 CO 0.01 -0.39 0.59 -3.47 -1.46 0.00 0.00 175.22 170.50 3if6 n ASP 60 N 3.59 -7.42 -0.11 6.13 -0.08 -1.26 -2.90 116.55 114.51 3if6 n ASP 60 Ca -0.19 0.26 -0.05 0.00 -1.51 0.00 0.00 54.79 53.30 3if6 n ASP 60 Cb 0.53 -5.01 0.02 0.00 2.34 0.00 0.00 41.12 39.00 3if6 n ASP 60 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 3if6 h GLN 61 N 1.24 0.10 0.00 -0.67 5.75 -1.95 -1.40 115.11 118.18 3if6 h GLN 61 Ca 0.00 -0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.40 3if6 h GLN 61 Cb 0.95 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.47 3if6 h GLN 61 CO 0.22 0.07 -0.45 1.05 -2.65 0.00 0.00 178.83 177.07 3if6 h GLU 62 N 0.11 0.00 -0.48 1.69 9.09 -1.98 -1.30 114.58 121.70 3if6 h GLU 62 Ca 0.18 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.46 3if6 h GLU 62 Cb 0.25 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.34 3if6 h GLU 62 CO -0.30 0.45 -0.21 -0.09 0.05 0.00 0.00 179.01 178.91 3if6 h ARG 63 N 0.00 0.99 -0.86 1.06 2.43 -1.87 -1.01 114.38 115.13 3if6 h ARG 63 Ca -0.00 -0.42 -0.03 0.00 -0.81 0.00 0.00 59.98 58.72 3if6 h ARG 63 Cb 0.98 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.46 3if6 h ARG 63 CO 0.06 1.10 0.42 0.00 -1.51 0.00 0.00 179.97 180.03 3if6 h ALA 64 N 0.87 1.12 -0.41 2.80 0.00 -0.88 -2.45 119.26 120.30 3if6 h ALA 64 Ca 0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3if6 h ALA 64 Cb 0.79 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3if6 h ALA 64 CO 0.07 0.67 0.02 0.00 0.00 0.00 0.00 179.25 180.00 3if6 h ALA 65 N 1.24 1.28 -2.65 0.00 0.00 -1.22 -2.44 119.26 115.46 3if6 h ALA 65 Ca 0.29 -0.22 -0.53 0.00 0.00 0.00 0.00 54.91 54.46 3if6 h ALA 65 Cb 0.11 -0.17 0.05 0.00 0.00 0.00 0.00 17.79 17.77 3if6 h ALA 65 CO -0.04 0.49 0.84 0.21 0.00 0.00 0.00 179.25 180.75 3if6 s LYS 66 N -5.01 4.23 -0.17 0.00 2.20 -0.39 -4.68 119.74 115.92 3if6 s LYS 66 Ca -0.08 2.34 -0.28 0.00 -0.36 0.00 0.00 55.97 57.58 3if6 s LYS 66 Cb 0.15 -3.14 -0.00 0.00 -1.51 0.00 0.00 37.83 33.33 3if6 s LYS 66 CO 0.78 -0.55 0.98 1.03 -0.36 0.00 0.00 175.35 177.23 3if6 s ARG 67 N 0.67 4.33 0.32 4.03 0.52 -1.26 -3.97 118.95 123.58 3if6 s ARG 67 Ca 0.67 1.30 0.10 0.00 -0.52 0.00 0.00 55.73 57.27 3if6 s ARG 67 Cb -0.43 -3.59 -0.05 0.00 0.52 0.00 0.00 34.95 31.40 3if6 s ARG 67 CO 0.35 -0.45 -0.03 0.71 0.02 0.00 0.00 175.30 175.90 3if6 s TYR 68 N 2.54 2.52 0.26 -0.53 2.02 -0.06 -4.72 117.35 119.38 3if6 s TYR 68 Ca 0.44 -0.38 -0.31 0.00 -0.37 0.00 0.00 57.07 56.45 3if6 s TYR 68 Cb -0.17 -1.34 -0.12 0.00 -0.40 0.00 0.00 41.96 39.94 3if6 s TYR 68 CO 0.12 0.55 1.66 0.45 -1.57 0.00 0.00 175.55 176.76 3if6 n SER 69 N -0.88 3.98 -0.11 2.29 2.88 -1.26 0.54 113.62 121.06 3if6 n SER 69 Ca -0.05 1.11 -0.03 0.00 -1.33 0.00 0.00 58.87 58.58 3if6 n SER 69 Cb 0.61 -1.59 0.20 0.00 -0.75 0.00 0.00 64.21 62.68 3if6 n SER 69 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3if6 h PRO 70 N 5.65 0.79 0.00 -1.46 0.13 -1.74 -3.46 132.00 131.91 3if6 h PRO 70 Ca -0.45 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 3if6 h PRO 70 Cb 1.21 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3if6 h PRO 70 CO 0.86 0.72 0.00 0.00 -0.23 0.00 0.00 178.00 179.36 3if6 n ALA 71 N -2.46 0.00 0.19 -0.56 0.00 -0.44 -2.70 120.51 114.53 3if6 n ALA 71 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.51 3if6 n ALA 71 Cb 0.23 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.09 3if6 n ALA 71 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3if6 h SER 72 N 4.70 0.03 0.00 0.00 0.02 -1.87 -2.20 113.55 114.23 3if6 h SER 72 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3if6 h SER 72 Cb 0.00 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.53 3if6 h SER 72 CO 0.00 0.31 0.12 0.71 -1.14 0.00 0.00 176.83 176.83 3if6 h THR 73 N 0.03 0.00 0.00 -2.27 1.35 -1.40 -3.40 112.91 107.23 3if6 h THR 73 Ca 0.00 0.00 -0.25 0.00 -0.55 0.00 0.00 66.41 65.61 3if6 h THR 73 Cb 0.50 0.73 0.01 0.00 -1.73 0.00 0.00 68.15 67.65 3if6 h THR 73 CO 0.04 0.00 1.90 0.33 -0.25 0.00 0.00 175.52 177.53 3if6 n PHE 74 N -2.76 0.87 0.00 4.73 7.35 -0.83 -4.40 117.46 122.42 3if6 n PHE 74 Ca -0.02 -1.45 0.00 0.00 -0.76 0.00 0.00 57.45 55.22 3if6 n PHE 74 Cb 0.18 -1.33 0.00 0.00 0.35 0.00 0.00 39.48 38.68 3if6 n PHE 74 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3if6 n ILE 76 N 4.16 0.00 0.20 -2.13 5.41 -1.26 0.59 119.36 126.33 3if6 n ILE 76 Ca 0.31 0.00 0.04 0.00 1.00 0.00 0.00 62.75 64.10 3if6 n ILE 76 Cb 0.14 0.00 0.42 0.00 -0.71 0.00 0.00 39.64 39.49 3if6 n ILE 76 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3if6 h PRO 77 N 0.00 0.00 -0.54 0.38 0.13 -1.97 -3.16 132.00 126.85 3if6 h PRO 77 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 3if6 h PRO 77 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 3if6 h PRO 77 CO 0.00 0.32 0.28 1.25 -0.23 0.00 0.00 178.00 179.62 3if6 h HIS 78 N 0.00 0.72 -0.54 1.56 2.76 -0.20 -2.07 115.15 117.38 3if6 h HIS 78 Ca -0.00 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.05 3if6 h HIS 78 Cb 0.61 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.31 3if6 h HIS 78 CO 0.00 0.52 -0.08 1.15 -1.30 0.00 0.00 177.93 178.21 3if6 h THR 79 N 0.75 1.27 0.02 6.26 2.02 -1.77 -0.96 112.91 120.49 3if6 h THR 79 Ca 0.19 -1.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.14 3if6 h THR 79 Cb 0.04 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3if6 h THR 79 CO -0.03 0.43 -0.01 -0.07 0.37 0.00 0.00 175.52 176.21 3if6 h LEU 80 N 0.90 -0.03 -0.36 2.58 3.38 -1.43 0.25 115.31 120.61 3if6 h LEU 80 Ca 0.15 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3if6 h LEU 80 Cb 0.63 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3if6 h LEU 80 CO 0.04 0.05 0.19 -0.26 0.09 0.00 0.00 178.44 178.55 3if6 h PHE 81 N -0.10 0.36 -0.09 1.13 0.04 -1.34 0.10 116.94 117.05 3if6 h PHE 81 Ca -0.00 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.82 3if6 h PHE 81 Cb 0.09 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 38.08 3if6 h PHE 81 CO -0.05 0.20 -0.23 0.00 -0.60 0.00 0.00 178.31 177.63 3if6 h ALA 82 N 1.17 -0.23 -0.59 2.45 0.00 -0.88 0.37 119.26 121.54 3if6 h ALA 82 Ca 0.15 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3if6 h ALA 82 Cb 0.03 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3if6 h ALA 82 CO -0.09 -0.70 0.39 -0.07 0.00 0.00 0.00 179.25 178.78 3if6 h LEU 83 N -0.31 0.60 0.06 0.00 3.38 -0.30 0.24 115.31 118.98 3if6 h LEU 83 Ca 0.09 -0.01 -0.28 0.00 0.09 0.00 0.00 57.88 57.77 3if6 h LEU 83 Cb 0.44 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 41.07 3if6 h LEU 83 CO -0.27 0.41 -1.19 -0.78 0.09 0.00 0.00 178.44 176.71 3if6 h ASP 84 N 0.69 0.74 0.56 -0.43 1.82 -0.10 -3.07 116.42 116.64 3if6 h ASP 84 Ca 0.24 -0.68 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 3if6 h ASP 84 Cb 0.08 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 39.86 3if6 h ASP 84 CO -0.06 1.50 0.00 0.00 -1.61 0.00 0.00 179.24 179.07 3if6 n ALA 85 N -2.63 1.83 -3.38 -0.78 0.00 0.12 -4.86 120.51 110.81 3if6 n ALA 85 Ca -0.12 -0.06 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 3if6 n ALA 85 Cb 0.96 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 19.19 3if6 n ALA 85 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3if6 n ASP 86 N -1.47 -6.22 0.20 0.00 4.64 -0.75 -4.88 116.55 108.06 3if6 n ASP 86 Ca 0.05 -0.45 0.11 0.00 -1.38 0.00 0.00 54.79 53.12 3if6 n ASP 86 Cb 0.20 -4.91 0.13 0.00 -1.04 0.00 0.00 41.12 35.49 3if6 n ASP 86 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3if6 h ALA 87 N 0.99 0.90 -3.61 -1.67 0.00 -1.26 -3.44 119.26 111.17 3if6 h ALA 87 Ca -0.54 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.07 3if6 h ALA 87 Cb 1.36 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.87 3if6 h ALA 87 CO 0.55 0.09 -0.70 0.54 0.00 0.00 0.00 179.25 179.73 3if6 s VAL 88 N -3.19 0.01 -0.17 0.00 0.11 -1.14 -4.97 120.40 111.05 3if6 s VAL 88 Ca 0.06 -0.10 -0.21 0.00 -2.93 0.00 0.00 61.98 58.79 3if6 s VAL 88 Cb 0.06 -0.06 -0.19 0.00 -1.53 0.00 0.00 36.38 34.66 3if6 s VAL 88 CO 0.69 -0.06 0.36 0.03 -3.33 0.00 0.00 175.10 172.79 3if6 h ARG 89 N 5.96 0.00 0.00 1.54 3.08 -1.90 -3.38 114.38 119.68 3if6 h ARG 89 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3if6 h ARG 89 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3if6 h ARG 89 CO 0.49 0.84 0.00 -0.40 -1.07 0.00 0.00 179.97 179.83 3if6 n ASP 90 N -4.54 0.00 0.10 7.04 5.68 -1.26 -5.04 116.55 118.53 3if6 n ASP 90 Ca -0.20 -0.38 0.13 0.00 -0.50 0.00 0.00 54.79 53.84 3if6 n ASP 90 Cb 0.52 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 40.95 3if6 n ASP 90 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3if6 n GLU 91 N 0.00 0.22 0.01 0.11 4.71 -1.26 -3.76 120.64 120.67 3if6 n GLU 91 Ca 0.00 0.24 -0.02 0.00 -0.01 0.00 0.00 57.16 57.37 3if6 n GLU 91 Cb 0.00 -1.78 -0.10 0.00 -1.01 0.00 0.00 31.44 28.55 3if6 n GLU 91 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 3if6 n PHE 92 N -2.17 0.94 -1.63 -0.32 3.72 -1.26 -4.58 117.46 112.17 3if6 n PHE 92 Ca 0.05 0.32 -0.43 0.00 -0.05 0.00 0.00 57.45 57.34 3if6 n PHE 92 Cb 0.37 -1.10 -0.03 0.00 -0.94 0.00 0.00 39.48 37.78 3if6 n PHE 92 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3if6 n GLN 93 N -2.91 2.37 -3.40 -1.08 7.27 -1.25 -4.97 117.38 113.42 3if6 n GLN 93 Ca -0.12 0.79 -0.37 0.00 0.07 0.00 0.00 57.00 57.36 3if6 n GLN 93 Cb 0.89 -3.07 -0.06 0.00 2.41 0.00 0.00 30.24 30.42 3if6 n GLN 93 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3if6 s VAL 94 N 6.22 4.90 -0.25 1.69 1.01 -1.26 -4.52 120.40 128.18 3if6 s VAL 94 Ca 0.95 0.94 -0.04 0.00 0.00 0.00 0.00 61.98 63.83 3if6 s VAL 94 Cb -0.42 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.19 3if6 s VAL 94 CO 0.40 0.49 -0.01 -0.36 0.00 0.00 0.00 175.10 175.62 3if6 s PHE 95 N -1.19 3.06 0.13 5.22 0.40 -0.74 -4.99 117.98 119.88 3if6 s PHE 95 Ca 0.29 -1.15 -0.31 0.00 -0.60 0.00 0.00 56.93 55.17 3if6 s PHE 95 Cb -0.17 -2.14 -0.08 0.00 0.51 0.00 0.00 43.02 41.14 3if6 s PHE 95 CO 0.17 -0.61 1.30 1.03 0.70 0.00 0.00 175.22 177.81 3if6 s ARG 96 N 1.44 4.38 0.00 0.44 1.81 -1.26 -1.45 118.95 124.31 3if6 s ARG 96 Ca 0.03 1.98 0.00 0.00 -1.72 0.00 0.00 55.73 56.02 3if6 s ARG 96 Cb -0.16 -3.25 0.00 0.00 -0.45 0.00 0.00 34.95 31.09 3if6 s ARG 96 CO -0.02 -0.31 0.00 1.87 -0.68 0.00 0.00 175.30 176.16 3if6 n TRP 97 N 3.43 0.00 0.00 -0.53 -0.00 -1.26 -4.94 117.44 114.14 3if6 n TRP 97 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.59 3if6 n TRP 97 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.75 3if6 n TRP 97 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 177.69 179.24 3if6 n VAL 100 N 0.00 0.00 -1.15 5.87 3.14 -1.26 -5.02 118.33 119.91 3if6 n VAL 100 Ca 0.00 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.99 3if6 n VAL 100 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 3if6 n VAL 100 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3if6 n ASN 101 N 0.00 -1.45 -4.15 6.55 4.13 -1.26 -5.07 115.26 114.02 3if6 n ASN 101 Ca 0.00 0.87 -0.11 0.00 1.68 0.00 0.00 54.58 57.02 3if6 n ASN 101 Cb 0.00 -0.78 -0.09 0.00 -1.54 0.00 0.00 39.78 37.36 3if6 n ASN 101 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3if6 s ARG 102 N -0.84 1.16 0.20 3.52 0.52 -1.26 -5.11 118.95 117.14 3if6 s ARG 102 Ca 0.53 -1.51 -0.07 0.00 -0.52 0.00 0.00 55.73 54.16 3if6 s ARG 102 Cb -0.71 0.29 0.15 0.00 0.52 0.00 0.00 34.95 35.20 3if6 s ARG 102 CO 0.49 -0.38 1.67 0.66 0.02 0.00 0.00 175.30 177.75 3if6 h SER 103 N 2.64 0.95 -3.54 0.23 4.64 -2.01 -3.42 113.55 113.04 3if6 h SER 103 Ca -0.34 -0.27 -0.61 0.00 -0.47 0.00 0.00 61.79 60.09 3if6 h SER 103 Cb 1.23 -0.26 -0.12 0.00 -0.31 0.00 0.00 62.40 62.95 3if6 h SER 103 CO 0.52 1.03 -0.13 0.12 -0.87 0.00 0.00 176.83 177.50 3if6 s PHE 104 N -4.95 3.33 -1.61 4.77 5.36 -1.26 -4.97 117.98 118.65 3if6 s PHE 104 Ca -0.11 0.61 0.00 0.00 -0.96 0.00 0.00 56.93 56.48 3if6 s PHE 104 Cb 0.14 -2.61 0.00 0.00 -0.34 0.00 0.00 43.02 40.21 3if6 s PHE 104 CO 0.85 -0.13 0.44 0.00 -1.46 0.00 0.00 175.22 174.92 3if6 n ALA 105 N 4.93 1.96 0.47 11.12 0.00 -1.26 -1.08 120.51 136.65 3if6 n ALA 105 Ca -0.07 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.45 3if6 n ALA 105 Cb 0.51 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.85 3if6 n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3if6 n GLY 106 N 0.12 -0.57 0.14 0.00 0.00 -1.26 -4.31 105.19 99.31 3if6 n GLY 106 Ca 0.00 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.72 3if6 n GLY 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3if6 h HIS 107 N 0.00 0.00 -0.38 1.61 3.86 -1.46 -3.41 115.15 115.38 3if6 h HIS 107 Ca 0.00 0.00 -0.70 0.00 -1.16 0.00 0.00 60.37 58.51 3if6 h HIS 107 Cb 0.50 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 3if6 h HIS 107 CO 0.00 0.00 3.31 0.09 0.86 0.00 0.00 177.93 182.19 3if6 n ASN 108 N -2.73 7.85 -3.57 2.45 3.02 -1.24 -4.79 115.26 116.24 3if6 n ASN 108 Ca 0.02 -2.78 -0.06 0.00 -0.03 0.00 0.00 54.58 51.73 3if6 n ASN 108 Cb 0.53 -1.51 -0.03 0.00 -0.61 0.00 0.00 39.78 38.16 3if6 n ASN 108 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3if6 s GLN 109 N 1.32 0.46 0.57 3.52 0.74 -1.26 -5.07 119.66 119.95 3if6 s GLN 109 Ca 0.62 -0.12 -0.19 0.00 0.05 0.00 0.00 55.36 55.71 3if6 s GLN 109 Cb 0.17 0.21 -0.04 0.00 1.10 0.00 0.00 33.01 34.45 3if6 s GLN 109 CO -0.07 -0.19 1.20 -0.51 -0.55 0.00 0.00 175.29 175.17 3if6 s ASP 110 N -2.05 5.35 -0.01 6.67 1.11 -1.26 -4.44 116.67 122.04 3if6 s ASP 110 Ca 0.07 2.36 0.07 0.00 0.18 0.00 0.00 52.55 55.24 3if6 s ASP 110 Cb -0.01 -2.60 -0.02 0.00 1.07 0.00 0.00 42.92 41.36 3if6 s ASP 110 CO -0.05 -1.48 -0.24 -1.10 1.18 0.00 0.00 175.17 173.48 3if6 s GLN 111 N -3.26 2.13 0.25 8.23 -1.52 -0.53 -4.97 119.66 119.99 3if6 s GLN 111 Ca 0.75 -0.92 -0.02 0.00 -1.95 0.00 0.00 55.36 53.22 3if6 s GLN 111 Cb -0.30 -2.09 -0.05 0.00 -0.22 0.00 0.00 33.01 30.36 3if6 s GLN 111 CO 0.33 0.56 0.47 0.34 -0.25 0.00 0.00 175.29 176.74 3if6 s ASP 112 N -0.74 6.40 0.28 5.90 -1.08 -1.26 -1.79 116.67 124.37 3if6 s ASP 112 Ca 0.11 0.54 0.01 0.00 -0.52 0.00 0.00 52.55 52.68 3if6 s ASP 112 Cb -0.10 -2.07 0.64 0.00 -1.46 0.00 0.00 42.92 39.93 3if6 s ASP 112 CO -0.00 -0.13 1.68 0.25 0.52 0.00 0.00 175.17 177.49 3if6 h LEU 113 N 1.75 0.16 -0.12 -1.34 5.85 -1.81 0.48 115.31 120.28 3if6 h LEU 113 Ca -0.48 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 3if6 h LEU 113 Cb 1.19 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 3if6 h LEU 113 CO 0.67 -0.04 0.02 -0.09 -0.34 0.00 0.00 178.44 178.65 3if6 h ARG 114 N 0.32 0.19 -0.65 1.25 9.65 -1.93 -1.40 114.38 121.82 3if6 h ARG 114 Ca 0.51 -0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 59.30 3if6 h ARG 114 Cb 0.95 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.48 3if6 h ARG 114 CO -0.55 0.38 0.24 0.66 2.80 0.00 0.00 179.97 183.50 3if6 h SER 115 N -0.03 0.91 -0.18 -3.80 4.64 -1.89 -2.08 113.55 111.12 3if6 h SER 115 Ca 0.04 -0.18 0.02 0.00 -0.47 0.00 0.00 61.79 61.19 3if6 h SER 115 Cb 0.28 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 3if6 h SER 115 CO 0.00 0.85 0.05 0.00 -0.87 0.00 0.00 176.83 176.86 3if6 h ALA 116 N 1.10 0.19 -0.36 5.18 0.00 0.00 0.27 119.26 125.65 3if6 h ALA 116 Ca 0.21 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3if6 h ALA 116 Cb 0.23 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3if6 h ALA 116 CO -0.01 -0.38 0.22 1.98 0.00 0.00 0.00 179.25 181.05 3if6 h MET 117 N 0.13 0.49 0.00 0.00 -1.53 -1.30 0.64 114.93 113.35 3if6 h MET 117 Ca 0.08 -0.04 -0.09 0.00 -3.44 0.00 0.00 59.70 56.20 3if6 h MET 117 Cb 0.06 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 30.99 3if6 h MET 117 CO -0.09 0.37 -0.45 0.00 0.14 0.00 0.00 176.91 176.88 3if6 h ARG 118 N 0.47 0.00 0.00 0.39 3.08 -0.90 -3.26 114.38 114.16 3if6 h ARG 118 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3if6 h ARG 118 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3if6 h ARG 118 CO -0.02 0.45 -0.45 0.09 -1.07 0.00 0.00 179.97 178.97 3if6 n ASN 119 N -3.81 0.80 -2.20 7.04 3.02 0.92 -5.01 115.26 116.02 3if6 n ASN 119 Ca -0.01 -0.54 -0.09 0.00 -0.03 0.00 0.00 54.58 53.90 3if6 n ASN 119 Cb 0.50 1.05 0.04 0.00 -0.61 0.00 0.00 39.78 40.76 3if6 n ASN 119 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3if6 n SER 120 N -1.24 -2.44 -4.56 6.41 2.88 0.12 -4.90 113.62 109.90 3if6 n SER 120 Ca 0.01 -0.31 -0.40 0.00 -1.33 0.00 0.00 58.87 56.84 3if6 n SER 120 Cb 0.11 -2.84 -0.03 0.00 -0.75 0.00 0.00 64.21 60.69 3if6 n SER 120 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3if6 s THR 121 N -3.18 3.90 0.34 2.46 2.01 -0.64 -4.86 115.64 115.67 3if6 s THR 121 Ca 0.06 -0.74 0.24 0.00 0.31 0.00 0.00 61.69 61.55 3if6 s THR 121 Cb -0.02 -5.02 0.24 0.00 0.01 0.00 0.00 72.50 67.70 3if6 s THR 121 CO 0.37 -1.90 1.97 1.62 -0.69 0.00 0.00 174.62 175.98 3if6 h VAL 122 N 6.81 0.69 -0.37 3.82 3.04 -1.90 -2.94 116.25 125.39 3if6 h VAL 122 Ca 0.19 -0.82 -0.03 0.00 -1.01 0.00 0.00 66.70 65.04 3if6 h VAL 122 Cb 1.01 1.51 -0.02 0.00 -2.01 0.00 0.00 31.29 31.78 3if6 h VAL 122 CO 1.42 0.19 0.10 4.11 -1.01 0.00 0.00 177.57 182.38 3if6 h TRP 123 N 0.00 0.54 -0.77 3.17 5.08 -1.98 0.46 115.95 122.45 3if6 h TRP 123 Ca -0.00 -0.03 -0.04 0.00 1.08 0.00 0.00 58.89 59.90 3if6 h TRP 123 Cb 0.50 -0.17 -0.03 0.00 -3.00 0.00 0.00 29.16 26.46 3if6 h TRP 123 CO 0.00 0.47 0.33 0.28 -1.28 0.00 0.00 178.44 178.24 3if6 h VAL 124 N 0.53 1.25 -0.00 0.12 2.07 -1.94 -1.01 116.25 117.27 3if6 h VAL 124 Ca 0.13 -0.77 -0.18 0.00 0.82 0.00 0.00 66.70 66.70 3if6 h VAL 124 Cb 0.19 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 3if6 h VAL 124 CO -0.00 0.32 -0.81 1.88 0.02 0.00 0.00 177.57 178.97 3if6 h TYR 125 N 1.10 0.15 -0.79 1.57 -1.99 -1.39 -2.78 116.97 112.84 3if6 h TYR 125 Ca 0.26 -0.08 0.08 0.00 2.00 0.00 0.00 58.73 60.99 3if6 h TYR 125 Cb 0.18 -0.02 -0.06 0.00 2.00 0.00 0.00 36.73 38.83 3if6 h TYR 125 CO 0.02 0.86 0.46 0.93 -0.00 0.00 0.00 178.16 180.42 3if6 h GLU 126 N 0.06 0.78 -0.70 4.88 5.08 0.32 -0.16 114.58 124.83 3if6 h GLU 126 Ca -0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3if6 h GLU 126 Cb 1.41 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 3if6 h GLU 126 CO 0.11 0.51 0.44 1.25 -1.00 0.00 0.00 179.01 180.33 3if6 h LEU 127 N 0.80 0.83 -0.73 1.33 6.46 -1.03 -1.83 115.31 121.13 3if6 h LEU 127 Ca 0.36 -0.05 -0.08 0.00 -0.12 0.00 0.00 57.88 58.00 3if6 h LEU 127 Cb 0.26 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 3if6 h LEU 127 CO -0.21 0.63 0.06 -0.26 -0.62 0.00 0.00 178.44 178.03 3if6 h PHE 128 N 0.95 1.10 0.12 1.25 0.04 -1.17 -1.73 116.94 117.51 3if6 h PHE 128 Ca 0.25 -0.16 0.01 0.00 2.80 0.00 0.00 57.97 60.88 3if6 h PHE 128 Cb -0.06 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 37.76 3if6 h PHE 128 CO -0.02 0.95 -0.19 0.00 -0.60 0.00 0.00 178.31 178.45 3if6 h ALA 129 N 1.10 -0.34 -0.78 2.45 0.00 -0.88 0.25 119.26 121.06 3if6 h ALA 129 Ca 0.18 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.15 3if6 h ALA 129 Cb 0.47 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 3if6 h ALA 129 CO 0.02 -0.72 0.44 0.87 0.00 0.00 0.00 179.25 179.85 3if6 h LYS 130 N -0.38 0.72 -0.23 0.00 6.56 -1.27 0.13 116.57 122.11 3if6 h LYS 130 Ca 0.02 -0.04 -0.18 0.00 -1.06 0.00 0.00 60.65 59.39 3if6 h LYS 130 Cb 0.39 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.89 3if6 h LYS 130 CO -0.09 0.48 -0.57 0.22 -2.06 0.00 0.00 179.45 177.43 3if6 h ASP 131 N 0.74 0.90 0.13 0.86 -0.00 -1.10 -3.33 116.42 114.62 3if6 h ASP 131 Ca 0.38 -0.56 -0.01 0.00 -0.00 0.00 0.00 57.03 56.84 3if6 h ASP 131 Cb 0.34 -0.26 0.00 0.00 -0.00 0.00 0.00 39.33 39.41 3if6 h ASP 131 CO -0.24 1.30 -0.06 0.40 -0.00 0.00 0.00 179.24 180.63 3if6 h ILE 132 N 0.53 0.93 0.00 2.25 2.04 -0.23 -3.50 117.51 119.53 3if6 h ILE 132 Ca -0.01 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.64 3if6 h ILE 132 Cb 1.18 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 3if6 h ILE 132 CO 0.12 0.25 0.00 0.61 0.00 0.00 0.00 178.15 179.13 3if6 n GLY 133 N 0.67 0.68 0.09 5.37 0.00 0.45 -4.45 105.19 107.99 3if6 n GLY 133 Ca -0.08 -2.10 0.02 0.00 0.00 0.00 0.00 46.02 43.87 3if6 n GLY 133 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3if6 n GLU 134 N 0.42 0.63 0.20 1.61 2.13 -1.26 -2.88 120.64 121.48 3if6 n GLU 134 Ca 0.00 0.12 -0.08 0.00 0.66 0.00 0.00 57.16 57.86 3if6 n GLU 134 Cb 0.00 -1.74 -0.04 0.00 0.27 0.00 0.00 31.44 29.94 3if6 n GLU 134 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 3if6 h ASP 135 N 0.00 -0.42 -0.64 4.31 3.45 -1.99 -2.68 116.42 118.44 3if6 h ASP 135 Ca -0.16 0.01 0.10 0.00 0.43 0.00 0.00 57.03 57.42 3if6 h ASP 135 Cb 1.48 0.11 -0.04 0.00 -0.56 0.00 0.00 39.33 40.32 3if6 h ASP 135 CO 0.03 -0.29 0.43 0.11 -1.57 0.00 0.00 179.24 177.94 3if6 h LYS 136 N -0.52 0.43 -0.02 3.56 1.57 -1.78 -2.71 116.57 117.11 3if6 h LYS 136 Ca -0.05 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3if6 h LYS 136 Cb 0.38 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 3if6 h LYS 136 CO 0.08 0.28 0.01 0.00 -0.57 0.00 0.00 179.45 179.26 3if6 h ALA 137 N 1.68 0.02 -0.12 3.86 0.00 -1.55 0.00 119.26 123.16 3if6 h ALA 137 Ca 0.30 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3if6 h ALA 137 Cb 0.57 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3if6 h ALA 137 CO -0.09 -0.40 -0.04 -0.09 0.00 0.00 0.00 179.25 178.63 3if6 h ARG 138 N -0.12 0.17 0.15 0.00 2.43 -1.22 0.17 114.38 115.96 3if6 h ARG 138 Ca 0.01 -0.02 -0.29 0.00 -0.81 0.00 0.00 59.98 58.86 3if6 h ARG 138 Cb 0.15 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3if6 h ARG 138 CO -0.00 0.23 -1.31 -0.09 -1.51 0.00 0.00 179.97 177.29 3if6 h ARG 139 N 0.17 0.32 -0.32 0.20 9.65 -1.28 -2.71 114.38 120.42 3if6 h ARG 139 Ca 0.04 -0.55 -0.04 0.00 -1.10 0.00 0.00 59.98 58.33 3if6 h ARG 139 Cb 0.19 0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.97 3if6 h ARG 139 CO 0.01 1.26 0.04 1.88 2.80 0.00 0.00 179.97 185.96 3if6 h TYR 140 N 0.09 0.57 0.00 2.20 0.05 -0.67 -2.98 116.97 116.23 3if6 h TYR 140 Ca -0.16 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.51 3if6 h TYR 140 Cb 2.01 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 39.60 3if6 h TYR 140 CO 0.08 0.62 -0.09 -0.07 -1.05 0.00 0.00 178.16 177.64 3if6 h LEU 141 N 0.35 0.00 0.00 3.88 3.38 -0.66 -2.12 115.31 120.15 3if6 h LEU 141 Ca 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3if6 h LEU 141 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3if6 h LEU 141 CO 0.01 0.09 -1.00 0.11 0.09 0.00 0.00 178.44 177.74 3if6 h LYS 142 N 0.00 0.00 -0.75 1.13 1.57 -1.54 -2.43 116.57 114.54 3if6 h LYS 142 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3if6 h LYS 142 Cb 0.16 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3if6 h LYS 142 CO 0.01 0.13 0.24 1.96 -0.57 0.00 0.00 179.45 181.22 3if6 h GLN 143 N 0.00 1.16 -0.58 3.15 4.20 -1.23 -3.15 115.11 118.66 3if6 h GLN 143 Ca -0.05 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.41 3if6 h GLN 143 Cb 1.22 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.83 3if6 h GLN 143 CO 0.02 0.99 0.00 0.44 -0.67 0.00 0.00 178.83 179.61 3if6 n ILE 144 N -4.25 1.97 -3.88 2.54 -5.35 -0.96 -4.82 119.36 104.61 3if6 n ILE 144 Ca 0.06 -1.29 -0.28 0.00 -0.27 0.00 0.00 62.75 60.97 3if6 n ILE 144 Cb 0.23 0.05 -0.03 0.00 -1.74 0.00 0.00 39.64 38.15 3if6 n ILE 144 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3if6 n ASP 145 N 0.84 -0.98 -4.39 7.28 2.03 -1.00 -4.84 116.55 115.48 3if6 n ASP 145 Ca 0.25 -0.92 -0.44 0.00 0.52 0.00 0.00 54.79 54.19 3if6 n ASP 145 Cb 0.91 -1.13 -0.07 0.00 -0.72 0.00 0.00 41.12 40.11 3if6 n ASP 145 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3if6 s TYR 146 N -3.97 3.21 0.00 -0.67 5.04 -0.95 -4.92 117.35 115.08 3if6 s TYR 146 Ca 0.16 -0.89 0.00 0.00 -2.44 0.00 0.00 57.07 53.91 3if6 s TYR 146 Cb -0.09 -3.30 0.00 0.00 0.35 0.00 0.00 41.96 38.92 3if6 s TYR 146 CO 0.70 -0.86 0.00 0.41 -1.34 0.00 0.00 175.55 174.46 3if6 n GLY 147 N 5.20 0.95 0.71 8.97 0.00 -1.26 -4.91 105.19 114.85 3if6 n GLY 147 Ca -0.11 0.57 -0.01 0.00 0.00 0.00 0.00 46.02 46.47 3if6 n GLY 147 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3if6 n ASN 148 N 8.50 0.48 -0.82 1.61 6.94 -1.24 -5.02 115.26 125.71 3if6 n ASN 148 Ca 0.00 0.07 0.00 0.00 -0.02 0.00 0.00 54.58 54.63 3if6 n ASN 148 Cb 0.00 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.16 3if6 n ASN 148 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3if6 n ASP 157 N -2.95 0.00 0.00 0.53 5.68 -1.26 -4.65 116.55 113.90 3if6 n ASP 157 Ca -0.02 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.31 3if6 n ASP 157 Cb 0.06 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.21 3if6 n ASP 157 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3if6 n TYR 158 N 0.37 0.00 0.48 2.11 0.18 -1.26 -0.69 117.16 118.35 3if6 n TYR 158 Ca 0.00 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.89 3if6 n TYR 158 Cb 0.00 -0.33 -0.13 0.00 -0.38 0.00 0.00 39.34 38.50 3if6 n TYR 158 CO 0.00 0.00 0.00 -2.67 -2.08 0.00 0.00 176.86 172.11 3if6 n TRP 159 N -1.33 0.03 -0.07 -3.48 2.14 -1.26 -3.08 117.44 110.39 3if6 n TRP 159 Ca 0.03 0.01 -0.13 0.00 2.07 0.00 0.00 57.50 59.48 3if6 n TRP 159 Cb 0.06 -0.28 -0.06 0.00 -0.81 0.00 0.00 31.31 30.22 3if6 n TRP 159 CO 0.00 0.00 0.00 -0.89 2.07 0.00 0.00 177.69 178.87 3if6 n ILE 160 N -1.91 0.84 0.37 -1.67 -0.00 -0.65 -1.33 119.36 115.01 3if6 n ILE 160 Ca 0.00 -0.28 0.05 0.00 -0.00 0.00 0.00 62.75 62.52 3if6 n ILE 160 Cb 0.45 -1.29 -0.06 0.00 -0.00 0.00 0.00 39.64 38.74 3if6 n ILE 160 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 3if6 n ASP 161 N -3.23 0.97 -2.41 4.38 8.00 0.13 -4.96 116.55 119.43 3if6 n ASP 161 Ca -0.28 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 54.65 3if6 n ASP 161 Cb 0.75 1.11 0.00 0.00 -0.02 0.00 0.00 41.12 42.96 3if6 n ASP 161 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3if6 n GLY 162 N 1.40 0.06 0.08 0.44 0.00 -1.18 -4.90 105.19 101.09 3if6 n GLY 162 Ca 0.01 -1.68 0.02 0.00 0.00 0.00 0.00 46.02 44.37 3if6 n GLY 162 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3if6 n ASN 163 N 0.00 0.54 -4.66 1.61 4.13 -1.25 -4.88 115.26 110.75 3if6 n ASN 163 Ca 0.00 0.23 -0.56 0.00 1.68 0.00 0.00 54.58 55.93 3if6 n ASN 163 Cb 0.00 0.72 -0.07 0.00 -1.54 0.00 0.00 39.78 38.89 3if6 n ASN 163 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3if6 n LEU 164 N -2.71 2.05 -3.80 3.41 7.94 -1.22 -4.98 117.00 117.70 3if6 n LEU 164 Ca -0.11 1.09 -0.12 0.00 -1.11 0.00 0.00 56.01 55.76 3if6 n LEU 164 Cb 0.80 -1.15 -0.11 0.00 0.53 0.00 0.00 43.42 43.49 3if6 n LEU 164 CO 0.43 -0.69 -0.09 -0.54 -1.11 0.00 0.00 177.39 175.40 3if6 s LYS 165 N 2.35 0.39 0.01 1.96 1.02 -1.26 -4.29 119.74 119.92 3if6 s LYS 165 Ca 0.93 0.11 0.00 0.00 0.02 0.00 0.00 55.97 57.03 3if6 s LYS 165 Cb -1.04 0.18 -0.01 0.00 -0.52 0.00 0.00 37.83 36.44 3if6 s LYS 165 CO 0.59 -0.08 -0.01 -1.50 -0.92 0.00 0.00 175.35 173.43 3if6 s ILE 166 N -0.42 0.07 0.50 2.17 2.07 0.19 -3.60 121.20 122.18 3if6 s ILE 166 Ca -0.05 -0.36 -0.05 0.00 -1.41 0.00 0.00 60.65 58.78 3if6 s ILE 166 Cb -0.03 -0.13 -0.02 0.00 0.13 0.00 0.00 42.46 42.41 3if6 s ILE 166 CO 0.01 -0.18 0.80 -0.94 -1.91 0.00 0.00 174.94 172.72 3if6 s SER 167 N -0.56 6.07 0.32 4.50 1.04 -1.26 -0.88 113.70 122.93 3if6 s SER 167 Ca -0.06 0.81 0.09 0.00 0.48 0.00 0.00 55.95 57.27 3if6 s SER 167 Cb -0.04 -2.05 0.92 0.00 0.10 0.00 0.00 66.02 64.95 3if6 s SER 167 CO -0.00 -0.70 1.66 0.00 0.98 0.00 0.00 173.24 175.18 3if6 h ALA 168 N 0.16 1.66 -0.36 5.32 0.00 -1.63 -0.76 119.26 123.65 3if6 h ALA 168 Ca -0.47 0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 3if6 h ALA 168 Cb 1.22 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 3if6 h ALA 168 CO 0.61 -0.52 -0.19 0.45 0.00 0.00 0.00 179.25 179.60 3if6 h HIS 169 N 0.28 0.76 0.00 0.00 3.86 -1.83 -2.22 115.15 115.99 3if6 h HIS 169 Ca 0.66 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.71 3if6 h HIS 169 Cb 1.42 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.71 3if6 h HIS 169 CO -0.12 0.82 -0.06 0.93 0.86 0.00 0.00 177.93 180.36 3if6 h GLU 170 N 0.60 0.00 0.33 2.45 5.08 -1.67 -2.67 114.58 118.70 3if6 h GLU 170 Ca 0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3if6 h GLU 170 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3if6 h GLU 170 CO 0.05 0.00 -0.16 1.96 -1.00 0.00 0.00 179.01 179.86 3if6 h GLN 171 N 0.00 -0.43 -0.85 2.33 1.08 -0.97 -2.85 115.11 113.41 3if6 h GLN 171 Ca 0.00 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.37 3if6 h GLN 171 Cb 0.93 0.10 -0.15 0.00 -0.05 0.00 0.00 27.48 28.31 3if6 h GLN 171 CO 0.00 -0.11 -0.36 0.82 -0.95 0.00 0.00 178.83 178.23 3if6 h ILE 172 N -0.93 0.07 -0.33 2.54 1.08 -1.36 0.93 117.51 119.49 3if6 h ILE 172 Ca -0.05 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.39 3if6 h ILE 172 Cb 0.52 0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 34.32 3if6 h ILE 172 CO 0.08 0.00 0.05 -0.07 -0.69 0.00 0.00 178.15 177.52 3if6 h LEU 173 N -0.06 0.45 0.04 1.44 3.38 -1.57 -0.79 115.31 118.22 3if6 h LEU 173 Ca 0.32 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 3if6 h LEU 173 Cb 0.59 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3if6 h LEU 173 CO -0.88 0.48 -0.02 0.15 0.09 0.00 0.00 178.44 178.26 3if6 h PHE 174 N 0.48 -0.05 -0.72 1.13 3.57 -0.90 -3.01 116.94 117.44 3if6 h PHE 174 Ca 0.11 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.72 3if6 h PHE 174 Cb 0.23 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.91 3if6 h PHE 174 CO 0.01 0.44 0.34 -0.07 -2.23 0.00 0.00 178.31 176.79 3if6 h LEU 175 N -0.57 0.41 -1.36 0.59 3.38 -0.62 -2.12 115.31 115.02 3if6 h LEU 175 Ca -0.01 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3if6 h LEU 175 Cb 0.51 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3if6 h LEU 175 CO 0.01 0.21 -0.05 -0.09 0.09 0.00 0.00 178.44 178.61 3if6 h ARG 176 N 0.55 0.36 -0.17 1.13 2.43 -1.21 0.89 114.38 118.36 3if6 h ARG 176 Ca 0.37 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.32 3if6 h ARG 176 Cb 0.45 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3if6 h ARG 176 CO -0.31 0.43 -0.47 0.87 -1.51 0.00 0.00 179.97 178.98 3if6 h LYS 177 N 0.35 0.62 -0.24 0.20 1.57 -1.28 -2.38 116.57 115.41 3if6 h LYS 177 Ca 0.07 -0.44 0.02 0.00 -1.87 0.00 0.00 60.65 58.44 3if6 h LYS 177 Cb 0.32 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 3if6 h LYS 177 CO 0.01 1.06 0.08 1.25 -0.57 0.00 0.00 179.45 181.29 3if6 h LEU 178 N 0.29 0.09 -0.87 2.94 5.85 -0.89 0.21 115.31 122.93 3if6 h LEU 178 Ca -0.01 0.02 0.20 0.00 0.84 0.00 0.00 57.88 58.93 3if6 h LEU 178 Cb 1.09 0.02 -0.12 0.00 0.37 0.00 0.00 40.66 42.02 3if6 h LEU 178 CO 0.10 0.08 0.38 0.22 -0.34 0.00 0.00 178.44 178.88 3if6 h TYR 179 N 0.19 0.63 -0.38 1.25 3.20 -0.77 -2.35 116.97 118.75 3if6 h TYR 179 Ca 0.10 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3if6 h TYR 179 Cb 0.07 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.20 3if6 h TYR 179 CO -0.13 -0.01 0.00 0.54 -1.64 0.00 0.00 178.16 176.93 3if6 n ARG 180 N -5.02 1.95 -2.89 1.82 5.12 -0.90 -4.91 116.66 111.82 3if6 n ARG 180 Ca 0.20 -1.46 -0.21 0.00 -1.93 0.00 0.00 57.85 54.45 3if6 n ARG 180 Cb 0.59 -1.34 0.02 0.00 -1.16 0.00 0.00 32.46 30.57 3if6 n ARG 180 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3if6 n ASN 181 N 0.68 -5.62 0.01 0.55 3.02 -0.88 -4.91 115.26 108.11 3if6 n ASN 181 Ca 0.14 -0.21 0.12 0.00 -0.03 0.00 0.00 54.58 54.61 3if6 n ASN 181 Cb 0.36 -4.59 0.23 0.00 -0.61 0.00 0.00 39.78 35.17 3if6 n ASN 181 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3if6 n GLN 182 N -3.69 0.04 -1.81 3.52 6.02 0.70 -4.94 117.38 117.21 3if6 n GLN 182 Ca -0.13 0.01 -0.34 0.00 -0.01 0.00 0.00 57.00 56.53 3if6 n GLN 182 Cb 0.62 -1.52 0.04 0.00 1.02 0.00 0.00 30.24 30.41 3if6 n GLN 182 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3if6 s LEU 183 N -3.15 3.45 -1.39 1.08 1.43 -1.25 -4.88 118.68 113.97 3if6 s LEU 183 Ca 0.10 2.10 -0.09 0.00 -1.03 0.00 0.00 54.13 55.21 3if6 s LEU 183 Cb 0.17 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.74 3if6 s LEU 183 CO 0.71 -1.64 2.98 -0.81 0.23 0.00 0.00 176.35 177.81 3if6 n PRO 184 N -2.23 3.59 -4.22 1.29 -0.04 -1.26 -4.81 135.00 127.32 3if6 n PRO 184 Ca 0.11 -2.20 -0.13 0.00 -0.04 0.00 0.00 63.50 61.25 3if6 n PRO 184 Cb 0.51 -2.68 -0.10 0.00 -0.04 0.00 0.00 33.50 31.19 3if6 n PRO 184 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3if6 s PHE 185 N 1.62 1.14 0.27 0.54 0.08 -1.26 -5.10 117.98 115.27 3if6 s PHE 185 Ca 0.68 -1.15 -0.30 0.00 0.12 0.00 0.00 56.93 56.27 3if6 s PHE 185 Cb 0.20 -0.64 -0.11 0.00 -0.57 0.00 0.00 43.02 41.90 3if6 s PHE 185 CO -0.06 -0.38 1.54 0.15 -0.10 0.00 0.00 175.22 176.37 3if6 s LYS 186 N -4.00 4.18 0.39 0.44 1.02 -1.26 -4.90 119.74 115.61 3if6 s LYS 186 Ca 0.28 2.46 0.08 0.00 0.02 0.00 0.00 55.97 58.81 3if6 s LYS 186 Cb 0.07 -3.06 0.84 0.00 -0.52 0.00 0.00 37.83 35.16 3if6 s LYS 186 CO 0.06 -0.55 1.98 0.28 -0.92 0.00 0.00 175.35 176.20 3if6 h VAL 187 N 3.48 1.00 -0.62 3.17 2.07 -1.93 -1.13 116.25 122.30 3if6 h VAL 187 Ca -0.46 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 66.85 3if6 h VAL 187 Cb 1.22 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3if6 h VAL 187 CO 0.80 0.11 0.41 1.05 0.02 0.00 0.00 177.57 179.96 3if6 h GLU 188 N 0.62 0.79 -0.23 1.57 4.11 -1.99 0.12 114.58 119.57 3if6 h GLU 188 Ca 0.27 -0.05 -0.15 0.00 0.07 0.00 0.00 59.36 59.50 3if6 h GLU 188 Cb 0.27 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3if6 h GLU 188 CO -0.08 0.52 -0.45 0.45 0.07 0.00 0.00 179.01 179.52 3if6 h HIS 189 N 0.81 0.90 -0.29 2.06 3.86 -1.61 -1.78 115.15 119.10 3if6 h HIS 189 Ca 0.23 -0.33 0.01 0.00 -1.16 0.00 0.00 60.37 59.12 3if6 h HIS 189 Cb -0.06 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 3if6 h HIS 189 CO -0.00 1.11 0.18 1.96 0.86 0.00 0.00 177.93 182.05 3if6 h GLN 190 N 0.44 0.37 -0.69 2.45 4.20 -0.93 -1.44 115.11 119.51 3if6 h GLN 190 Ca 0.01 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.75 3if6 h GLN 190 Cb 1.06 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.70 3if6 h GLN 190 CO 0.10 0.24 0.40 0.00 -0.67 0.00 0.00 178.83 178.90 3if6 h ARG 191 N 0.38 0.71 -0.56 1.46 3.08 -0.82 -0.50 114.38 118.13 3if6 h ARG 191 Ca 0.11 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3if6 h ARG 191 Cb -0.03 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 3if6 h ARG 191 CO -0.03 0.47 0.34 1.25 -1.07 0.00 0.00 179.97 180.93 3if6 h LEU 192 N 0.73 0.67 -0.48 3.04 5.85 -1.12 -0.22 115.31 123.79 3if6 h LEU 192 Ca 0.31 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.91 3if6 h LEU 192 Cb 0.17 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3if6 h LEU 192 CO -0.18 0.52 0.03 0.58 -0.34 0.00 0.00 178.44 179.06 3if6 h VAL 193 N 0.75 1.26 -0.78 1.05 2.07 -0.96 0.22 116.25 119.86 3if6 h VAL 193 Ca 0.20 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 3if6 h VAL 193 Cb -0.03 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3if6 h VAL 193 CO -0.04 0.35 0.47 0.11 0.02 0.00 0.00 177.57 178.49 3if6 h LYS 194 N 0.68 1.06 0.18 1.57 1.57 -0.95 -1.38 116.57 119.29 3if6 h LYS 194 Ca 0.14 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3if6 h LYS 194 Cb 0.46 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3if6 h LYS 194 CO 0.02 0.75 -0.13 0.22 -0.57 0.00 0.00 179.45 179.74 3if6 h ASP 195 N 1.07 -0.32 -0.45 0.86 3.58 -0.89 -3.13 116.42 117.14 3if6 h ASP 195 Ca 0.28 0.02 0.13 0.00 0.42 0.00 0.00 57.03 57.89 3if6 h ASP 195 Cb -0.04 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 3if6 h ASP 195 CO -0.05 -0.20 0.33 -0.07 -2.88 0.00 0.00 179.24 176.36 3if6 h LEU 196 N -0.30 0.00 0.00 2.28 3.38 -0.15 -1.40 115.31 119.11 3if6 h LEU 196 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3if6 h LEU 196 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3if6 h LEU 196 CO -0.00 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.76 3if6 n MET 197 N -4.40 0.32 -1.81 1.13 2.81 -0.56 -4.81 117.12 109.80 3if6 n MET 197 Ca 0.08 0.02 -0.42 0.00 -1.81 0.00 0.00 57.70 55.57 3if6 n MET 197 Cb 0.53 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.52 3if6 n MET 197 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3if6 s ILE 198 N -2.66 2.23 0.00 2.02 1.01 -0.53 -0.87 121.20 122.40 3if6 s ILE 198 Ca 0.24 0.17 0.00 0.00 0.00 0.00 0.00 60.65 61.06 3if6 s ILE 198 Cb 0.19 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.55 3if6 s ILE 198 CO 0.45 0.02 0.00 0.35 0.00 0.00 0.00 174.94 175.75 3if6 n THR 199 N 3.34 0.00 -3.61 2.92 -2.24 -0.36 -4.91 114.28 109.42 3if6 n THR 199 Ca 0.13 -0.18 -0.05 0.00 -2.27 0.00 0.00 64.05 61.68 3if6 n THR 199 Cb 0.37 0.74 -0.04 0.00 -2.10 0.00 0.00 70.33 69.30 3if6 n THR 199 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3if6 s GLU 200 N -0.76 0.25 -0.10 -0.78 2.12 -1.22 -5.03 118.70 113.19 3if6 s GLU 200 Ca 0.00 0.01 -0.30 0.00 0.36 0.00 0.00 54.97 55.04 3if6 s GLU 200 Cb 0.00 0.12 0.08 0.00 0.26 0.00 0.00 34.13 34.59 3if6 s GLU 200 CO 0.00 -0.09 0.74 0.00 -0.54 0.00 0.00 175.26 175.37 3if6 s ALA 201 N -1.45 -1.80 0.09 6.30 0.00 -1.26 -0.87 121.76 122.76 3if6 s ALA 201 Ca 0.07 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.48 3if6 s ALA 201 Cb -0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 3if6 s ALA 201 CO -0.05 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.78 3if6 n GLY 202 N 1.12 4.06 0.32 0.00 0.00 0.13 -4.99 105.19 105.84 3if6 n GLY 202 Ca -0.17 -2.19 -0.03 0.00 0.00 0.00 0.00 46.02 43.63 3if6 n GLY 202 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3if6 h ARG 203 N 0.00 0.97 -0.30 1.61 3.08 -2.02 -3.15 114.38 114.58 3if6 h ARG 203 Ca -0.07 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.81 3if6 h ARG 203 Cb 0.23 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3if6 h ARG 203 CO 0.12 0.81 0.00 0.43 -1.07 0.00 0.00 179.97 180.25 3if6 n SER 204 N -4.30 2.90 -3.63 7.04 7.64 -1.26 -5.03 113.62 116.98 3if6 n SER 204 Ca 0.06 -1.86 -0.15 0.00 1.01 0.00 0.00 58.87 57.93 3if6 n SER 204 Cb 0.18 -0.19 -0.07 0.00 -1.01 0.00 0.00 64.21 63.12 3if6 n SER 204 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 3if6 s TRP 205 N -1.13 -0.64 -0.21 1.43 1.48 -1.19 -3.86 118.94 114.83 3if6 s TRP 205 Ca 0.27 1.41 -0.03 0.00 -1.06 0.00 0.00 56.10 56.70 3if6 s TRP 205 Cb 0.15 0.27 0.06 0.00 -1.16 0.00 0.00 33.47 32.80 3if6 s TRP 205 CO 0.21 -0.41 0.04 0.42 -4.06 0.00 0.00 176.95 173.16 3if6 s ILE 206 N -0.21 0.57 -0.38 0.66 1.01 -0.98 0.21 121.20 122.08 3if6 s ILE 206 Ca -0.04 -0.66 -0.27 0.00 0.00 0.00 0.00 60.65 59.68 3if6 s ILE 206 Cb -0.03 -1.11 0.02 0.00 0.01 0.00 0.00 42.46 41.34 3if6 s ILE 206 CO 0.04 -0.26 1.01 -0.22 0.00 0.00 0.00 174.94 175.50 3if6 s LEU 207 N 1.83 3.91 -0.24 2.97 2.96 -0.05 -1.73 118.68 128.33 3if6 s LEU 207 Ca 0.00 0.68 -0.03 0.00 -0.22 0.00 0.00 54.13 54.57 3if6 s LEU 207 Cb -0.17 -3.39 0.01 0.00 0.50 0.00 0.00 46.19 43.14 3if6 s LEU 207 CO -0.10 -0.94 -0.05 -0.13 -1.32 0.00 0.00 176.35 173.81 3if6 s ARG 208 N 3.71 3.05 0.23 1.98 0.52 0.09 -1.23 118.95 127.29 3if6 s ARG 208 Ca 0.42 -0.84 -0.17 0.00 -0.52 0.00 0.00 55.73 54.62 3if6 s ARG 208 Cb -0.11 -3.02 0.02 0.00 0.52 0.00 0.00 34.95 32.36 3if6 s ARG 208 CO 0.20 -0.33 0.54 0.00 0.02 0.00 0.00 175.30 175.73 3if6 s ALA 209 N 1.39 -0.76 -0.24 2.13 0.00 -0.05 -0.17 121.76 124.07 3if6 s ALA 209 Ca 0.03 -0.45 -0.08 0.00 0.00 0.00 0.00 51.96 51.45 3if6 s ALA 209 Cb -0.16 0.92 0.11 0.00 0.00 0.00 0.00 23.12 23.99 3if6 s ALA 209 CO -0.04 -0.86 0.51 0.21 0.00 0.00 0.00 175.76 175.58 3if6 s LYS 210 N -3.93 0.43 0.75 0.00 2.47 0.19 -4.71 119.74 114.94 3if6 s LYS 210 Ca 0.14 1.21 -0.13 0.00 -1.56 0.00 0.00 55.97 55.63 3if6 s LYS 210 Cb -0.02 0.56 0.05 0.00 -1.46 0.00 0.00 37.83 36.96 3if6 s LYS 210 CO 0.03 -0.23 1.13 0.95 0.16 0.00 0.00 175.35 177.39 3if6 s THR 211 N 2.73 2.85 0.03 3.43 -4.23 -1.26 -2.00 115.64 117.19 3if6 s THR 211 Ca -0.03 0.34 -0.03 0.00 -1.18 0.00 0.00 61.69 60.79 3if6 s THR 211 Cb -0.12 -2.77 -0.02 0.00 1.34 0.00 0.00 72.50 70.93 3if6 s THR 211 CO -0.15 -0.30 0.03 -0.83 -0.54 0.00 0.00 174.62 172.83 3if6 s GLY 212 N -2.72 0.26 -0.31 3.99 0.00 -0.75 -2.97 107.32 104.80 3if6 s GLY 212 Ca 0.67 -0.69 0.04 0.00 0.00 0.00 0.00 44.72 44.73 3if6 s GLY 212 CO 0.50 -0.80 0.46 0.86 0.00 0.00 0.00 173.10 174.12 3if6 s TRP 213 N -2.46 -1.17 0.09 1.90 -0.00 -1.26 -1.35 118.94 114.69 3if6 s TRP 213 Ca -0.06 0.31 -0.19 0.00 -0.00 0.00 0.00 56.10 56.16 3if6 s TRP 213 Cb -0.02 -0.05 -0.08 0.00 -0.00 0.00 0.00 33.47 33.32 3if6 s TRP 213 CO -0.04 -1.03 1.57 1.49 -0.00 0.00 0.00 176.95 178.94 3if6 h GLU 214 N 7.86 0.37 0.00 5.86 4.22 -1.68 -3.45 114.58 127.77 3if6 h GLU 214 Ca -0.04 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 59.31 3if6 h GLU 214 Cb 1.13 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3if6 h GLU 214 CO 0.22 0.50 0.00 0.41 -2.18 0.00 0.00 179.01 177.95 3if6 n GLY 215 N -0.49 0.20 0.27 1.92 0.00 -1.26 -4.90 105.19 100.93 3if6 n GLY 215 Ca -0.04 0.16 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 3if6 n GLY 215 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3if6 h ARG 216 N 0.00 0.74 -4.61 1.61 3.08 -1.94 -3.42 114.38 109.84 3if6 h ARG 216 Ca 0.00 -0.24 -0.22 0.00 0.07 0.00 0.00 59.98 59.58 3if6 h ARG 216 Cb 0.00 -0.06 -0.16 0.00 0.08 0.00 0.00 29.97 29.83 3if6 h ARG 216 CO 0.00 0.83 -0.70 -0.59 -1.07 0.00 0.00 179.97 178.44 3if6 s PHE 217 N -4.78 0.83 0.08 3.04 -0.12 -1.26 0.34 117.98 116.12 3if6 s PHE 217 Ca -0.09 -0.86 0.02 0.00 -0.05 0.00 0.00 56.93 55.95 3if6 s PHE 217 Cb 0.14 -0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.00 3if6 s PHE 217 CO 0.82 -0.16 -0.07 0.20 -0.05 0.00 0.00 175.22 175.96 3if6 s GLY 218 N -2.81 0.69 0.15 1.99 0.00 0.41 -1.81 107.32 105.93 3if6 s GLY 218 Ca 0.08 -1.18 0.06 0.00 0.00 0.00 0.00 44.72 43.68 3if6 s GLY 218 CO -0.04 -1.27 0.06 -0.98 0.00 0.00 0.00 173.10 170.87 3if6 s TRP 219 N -2.98 3.02 -0.15 1.90 0.52 -0.46 -1.55 118.94 119.23 3if6 s TRP 219 Ca 0.05 -0.05 -0.03 0.00 0.02 0.00 0.00 56.10 56.09 3if6 s TRP 219 Cb 0.01 -1.48 0.05 0.00 -1.15 0.00 0.00 33.47 30.90 3if6 s TRP 219 CO -0.03 0.51 0.04 -0.46 0.02 0.00 0.00 176.95 177.03 3if6 s TRP 220 N -1.65 0.71 0.24 -1.98 -0.00 -0.81 -1.82 118.94 113.63 3if6 s TRP 220 Ca 0.29 -0.51 0.10 0.00 -0.00 0.00 0.00 56.10 55.98 3if6 s TRP 220 Cb -0.10 -0.87 -0.05 0.00 -0.00 0.00 0.00 33.47 32.45 3if6 s TRP 220 CO 0.21 -0.49 -0.19 0.14 -0.00 0.00 0.00 176.95 176.62 3if6 s VAL 221 N 1.96 2.19 -2.83 5.86 -7.23 -0.85 -1.94 120.40 117.57 3if6 s VAL 221 Ca 0.02 -2.25 0.00 0.00 -1.81 0.00 0.00 61.98 57.93 3if6 s VAL 221 Cb -0.15 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.63 3if6 s VAL 221 CO -0.07 -0.40 0.00 0.61 -0.31 0.00 0.00 175.10 174.92 3if6 n GLY 222 N -0.33 0.25 3.51 2.32 0.00 -0.86 -0.64 105.19 109.44 3if6 n GLY 222 Ca -0.08 -1.18 -0.15 0.00 0.00 0.00 0.00 46.02 44.61 3if6 n GLY 222 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3if6 s TRP 223 N -4.00 -0.56 -0.27 1.61 -2.14 0.77 -1.10 118.94 113.25 3if6 s TRP 223 Ca 0.00 0.80 -0.10 0.00 2.66 0.00 0.00 56.10 59.46 3if6 s TRP 223 Cb 0.00 0.46 -0.04 0.00 -3.10 0.00 0.00 33.47 30.78 3if6 s TRP 223 CO 0.00 -0.60 0.16 0.42 -2.66 0.00 0.00 176.95 174.26 3if6 s ILE 224 N -1.85 5.05 -0.24 0.66 1.09 -0.58 -0.74 121.20 124.60 3if6 s ILE 224 Ca -0.06 0.08 -0.19 0.00 -1.10 0.00 0.00 60.65 59.39 3if6 s ILE 224 Cb -0.00 -3.39 -0.03 0.00 -1.06 0.00 0.00 42.46 37.98 3if6 s ILE 224 CO 0.02 0.28 0.54 -1.61 -0.10 0.00 0.00 174.94 174.07 3if6 s GLU 225 N 1.65 4.12 0.44 2.79 2.02 -0.71 -0.78 118.70 128.24 3if6 s GLU 225 Ca 0.07 0.40 0.07 0.00 0.02 0.00 0.00 54.97 55.53 3if6 s GLU 225 Cb -0.16 -3.62 -0.02 0.00 0.10 0.00 0.00 34.13 30.44 3if6 s GLU 225 CO 0.09 -0.28 0.30 -1.58 0.02 0.00 0.00 175.26 173.80 3if6 s TRP 226 N 2.08 2.46 0.32 1.61 0.52 -0.49 -2.33 118.94 123.11 3if6 s TRP 226 Ca 0.23 -0.60 0.07 0.00 0.02 0.00 0.00 56.10 55.82 3if6 s TRP 226 Cb -0.16 -2.04 0.76 0.00 -1.15 0.00 0.00 33.47 30.89 3if6 s TRP 226 CO 0.09 -0.06 1.80 -1.35 0.02 0.00 0.00 176.95 177.45 3if6 h PRO 227 N 1.14 0.73 0.00 4.98 0.11 -1.98 -2.44 132.00 134.54 3if6 h PRO 227 Ca -0.41 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3if6 h PRO 227 Cb 1.27 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3if6 h PRO 227 CO 0.62 0.48 -0.35 0.25 -0.21 0.00 0.00 178.00 178.80 3if6 n THR 228 N -4.69 0.08 -0.77 -1.15 -2.24 -1.26 -5.03 114.28 99.22 3if6 n THR 228 Ca 0.22 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 3if6 n THR 228 Cb 0.55 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 3if6 n THR 228 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3if6 n GLY 229 N 1.47 -0.36 3.88 3.38 0.00 -0.92 -4.60 105.19 108.04 3if6 n GLY 229 Ca 0.06 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.07 3if6 n GLY 229 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3if6 s PRO 230 N -1.69 3.58 -0.51 1.61 0.04 -1.26 -1.40 135.00 135.37 3if6 s PRO 230 Ca 0.00 -0.08 -0.16 0.00 0.04 0.00 0.00 61.00 60.80 3if6 s PRO 230 Cb 0.00 -3.08 0.10 0.00 0.04 0.00 0.00 34.50 31.56 3if6 s PRO 230 CO 0.00 0.65 0.48 0.08 0.04 0.00 0.00 177.00 178.25 3if6 s VAL 231 N -1.30 5.16 0.46 -0.36 1.01 0.04 0.23 120.40 125.64 3if6 s VAL 231 Ca 0.28 -1.20 -0.20 0.00 0.00 0.00 0.00 61.98 60.86 3if6 s VAL 231 Cb -0.13 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 31.89 3if6 s VAL 231 CO 0.16 -0.77 0.99 -0.36 0.00 0.00 0.00 175.10 175.13 3if6 s PHE 232 N 1.79 3.17 0.03 5.22 0.40 -0.23 -1.52 117.98 126.84 3if6 s PHE 232 Ca 0.05 1.59 -0.20 0.00 -0.60 0.00 0.00 56.93 57.77 3if6 s PHE 232 Cb -0.26 -2.95 0.04 0.00 0.51 0.00 0.00 43.02 40.36 3if6 s PHE 232 CO 0.05 -0.46 0.46 -0.59 0.70 0.00 0.00 175.22 175.39 3if6 s PHE 233 N -2.11 -0.35 -0.31 0.36 -0.12 -0.26 -1.26 117.98 113.93 3if6 s PHE 233 Ca 0.64 0.40 0.04 0.00 -0.05 0.00 0.00 56.93 57.96 3if6 s PHE 233 Cb -0.12 0.26 0.19 0.00 -0.63 0.00 0.00 43.02 42.73 3if6 s PHE 233 CO 0.17 -0.58 0.67 0.00 -0.05 0.00 0.00 175.22 175.43 3if6 s ALA 234 N -2.20 -2.67 -0.09 1.99 0.00 -0.36 -2.02 121.76 116.40 3if6 s ALA 234 Ca -0.07 0.98 -0.04 0.00 0.00 0.00 0.00 51.96 52.83 3if6 s ALA 234 Cb -0.01 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 3if6 s ALA 234 CO -0.00 -1.94 0.07 -1.17 0.00 0.00 0.00 175.76 172.72 3if6 s LEU 235 N 2.68 3.96 0.14 0.00 0.20 -0.82 -1.19 118.68 123.66 3if6 s LEU 235 Ca 0.13 0.29 0.05 0.00 0.69 0.00 0.00 54.13 55.29 3if6 s LEU 235 Cb -0.08 -1.97 -0.04 0.00 -0.43 0.00 0.00 46.19 43.67 3if6 s LEU 235 CO -0.22 0.38 -0.10 0.54 -0.29 0.00 0.00 176.35 176.65 3if6 s ASN 236 N -1.02 1.80 -0.17 3.68 6.03 -0.13 -1.93 114.94 123.20 3if6 s ASN 236 Ca 0.15 -0.99 -0.15 0.00 -1.03 0.00 0.00 52.86 50.85 3if6 s ASN 236 Cb -0.12 -0.02 0.05 0.00 -3.03 0.00 0.00 41.25 38.14 3if6 s ASN 236 CO 0.04 -0.31 0.45 -0.51 -2.03 0.00 0.00 177.10 174.74 3if6 s ILE 237 N -3.19 -0.00 0.32 0.54 1.10 -0.60 -1.50 121.20 117.87 3if6 s ILE 237 Ca 0.16 0.02 -0.29 0.00 -0.51 0.00 0.00 60.65 60.03 3if6 s ILE 237 Cb 0.02 -0.64 -0.10 0.00 0.15 0.00 0.00 42.46 41.88 3if6 s ILE 237 CO 0.01 0.01 1.31 -1.81 -2.11 0.00 0.00 174.94 172.34 3if6 s ASP 238 N 0.51 6.79 -0.79 4.50 1.01 -0.34 -0.45 116.67 127.91 3if6 s ASP 238 Ca -0.02 2.66 0.02 0.00 0.71 0.00 0.00 52.55 55.92 3if6 s ASP 238 Cb -0.04 -2.64 0.22 0.00 1.01 0.00 0.00 42.92 41.46 3if6 s ASP 238 CO -0.03 -0.53 0.74 0.35 0.21 0.00 0.00 175.17 175.92 3if6 n THR 239 N 1.01 2.61 0.30 -1.27 -2.24 1.05 -4.67 114.28 111.06 3if6 n THR 239 Ca 0.01 -5.14 0.16 0.00 -2.27 0.00 0.00 64.05 56.81 3if6 n THR 239 Cb 0.42 -2.22 0.92 0.00 -2.10 0.00 0.00 70.33 67.34 3if6 n THR 239 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3if6 h PRO 240 N 5.28 0.00 -0.49 -0.78 0.13 -1.88 -1.97 132.00 132.29 3if6 h PRO 240 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3if6 h PRO 240 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3if6 h PRO 240 CO 0.85 0.03 0.00 0.09 -0.23 0.00 0.00 178.00 178.74 3if6 n ASN 241 N -3.60 3.86 0.00 1.44 3.02 -1.26 -5.05 115.26 113.67 3if6 n ASN 241 Ca -0.03 -2.32 0.00 0.00 -0.03 0.00 0.00 54.58 52.20 3if6 n ASN 241 Cb 0.13 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 3if6 n ASN 241 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3if6 n ARG 242 N 0.70 0.00 0.29 3.52 1.74 -0.74 -2.27 116.66 119.91 3if6 n ARG 242 Ca 0.20 0.00 0.16 0.00 -0.77 0.00 0.00 57.85 57.44 3if6 n ARG 242 Cb 0.69 0.00 0.90 0.00 -1.02 0.00 0.00 32.46 33.03 3if6 n ARG 242 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 3if6 h THR 243 N 0.00 0.42 0.00 0.55 1.35 -1.91 -1.92 112.91 111.41 3if6 h THR 243 Ca 0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 3if6 h THR 243 Cb 0.00 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 3if6 h THR 243 CO 0.00 0.04 0.00 0.47 -0.25 0.00 0.00 175.52 175.78 3if6 n ASP 244 N -3.61 0.00 -0.00 5.36 9.92 -0.96 -2.98 116.55 124.28 3if6 n ASP 244 Ca -0.02 -0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.30 3if6 n ASP 244 Cb 0.14 -0.26 -0.09 0.00 -0.64 0.00 0.00 41.12 40.27 3if6 n ASP 244 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3if6 n ASP 245 N -1.26 1.41 -0.05 -2.24 8.00 -0.72 -4.68 116.55 117.00 3if6 n ASP 245 Ca 0.09 -0.33 0.25 0.00 0.71 0.00 0.00 54.79 55.51 3if6 n ASP 245 Cb 0.13 1.36 0.70 0.00 -0.02 0.00 0.00 41.12 43.29 3if6 n ASP 245 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3if6 h LEU 246 N 0.00 0.00 0.00 0.64 4.07 -1.57 -2.53 115.31 115.92 3if6 h LEU 246 Ca 0.00 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.71 3if6 h LEU 246 Cb 0.48 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.19 3if6 h LEU 246 CO 0.00 0.00 -1.35 2.19 -1.08 0.00 0.00 178.44 178.20 3if6 h PHE 247 N 0.00 0.01 0.00 1.13 -5.15 -1.83 -3.26 116.94 107.84 3if6 h PHE 247 Ca 0.32 -0.01 0.00 0.00 -0.20 0.00 0.00 57.97 58.08 3if6 h PHE 247 Cb 1.61 -0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.78 3if6 h PHE 247 CO 0.00 1.01 0.00 0.36 -2.00 0.00 0.00 178.31 177.68 3if6 n LYS 248 N -3.21 0.04 0.00 6.09 2.85 -0.95 -2.52 118.16 120.46 3if6 n LYS 248 Ca -0.08 0.16 -0.02 0.00 -1.05 0.00 0.00 58.31 57.32 3if6 n LYS 248 Cb 1.00 -1.55 -0.01 0.00 -0.65 0.00 0.00 35.03 33.81 3if6 n LYS 248 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3if6 h ARG 249 N 0.00 -0.07 -0.92 -1.58 3.08 -1.71 -1.80 114.38 111.38 3if6 h ARG 249 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.12 3if6 h ARG 249 Cb 0.40 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.40 3if6 h ARG 249 CO 0.00 -0.05 0.60 0.93 -1.07 0.00 0.00 179.97 180.38 3if6 h GLU 250 N -0.07 1.03 -0.46 0.04 5.08 -1.79 -3.00 114.58 115.41 3if6 h GLU 250 Ca 0.00 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 3if6 h GLU 250 Cb 0.08 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3if6 h GLU 250 CO -0.04 0.68 -0.12 0.00 -1.00 0.00 0.00 179.01 178.53 3if6 h ALA 251 N 1.50 0.93 0.21 3.43 0.00 -1.39 0.27 119.26 124.21 3if6 h ALA 251 Ca 0.40 -0.33 -0.32 0.00 0.00 0.00 0.00 54.91 54.66 3if6 h ALA 251 Cb 0.18 -0.18 0.03 0.00 0.00 0.00 0.00 17.79 17.82 3if6 h ALA 251 CO -0.15 0.62 -1.40 0.82 0.00 0.00 0.00 179.25 179.14 3if6 h ILE 252 N 0.75 1.35 -0.15 0.00 2.04 -1.35 -2.15 117.51 118.01 3if6 h ILE 252 Ca 0.12 -2.80 -0.03 0.00 1.00 0.00 0.00 64.86 63.16 3if6 h ILE 252 Cb 0.62 3.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.70 3if6 h ILE 252 CO 0.04 0.83 -0.01 0.00 0.00 0.00 0.00 178.15 179.02 3if6 h ALA 253 N 0.29 0.20 -0.64 1.87 0.00 -1.42 -2.19 119.26 117.37 3if6 h ALA 253 Ca -0.22 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.53 3if6 h ALA 253 Cb 2.10 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.80 3if6 h ALA 253 CO 0.26 -0.09 0.37 0.00 0.00 0.00 0.00 179.25 179.79 3if6 h ARG 254 N -0.01 0.70 -0.31 0.00 3.08 -0.52 0.22 114.38 117.55 3if6 h ARG 254 Ca 0.04 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 3if6 h ARG 254 Cb 0.39 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3if6 h ARG 254 CO 0.01 0.46 -0.13 0.00 -1.07 0.00 0.00 179.97 179.24 3if6 h ALA 255 N 1.30 1.20 -0.13 0.04 0.00 -1.37 -0.07 119.26 120.23 3if6 h ALA 255 Ca 0.27 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3if6 h ALA 255 Cb 0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3if6 h ALA 255 CO -0.14 0.51 -0.23 0.82 0.00 0.00 0.00 179.25 180.22 3if6 h ILE 256 N 0.49 1.37 -0.86 0.00 2.04 -0.71 -2.63 117.51 117.21 3if6 h ILE 256 Ca 0.09 -1.48 0.02 0.00 1.00 0.00 0.00 64.86 64.49 3if6 h ILE 256 Cb 0.52 2.01 -0.04 0.00 -0.74 0.00 0.00 36.82 38.56 3if6 h ILE 256 CO 0.03 0.43 0.57 -0.07 0.00 0.00 0.00 178.15 179.11 3if6 h LEU 257 N -0.01 0.96 -1.14 1.44 3.38 -0.36 -1.14 115.31 118.44 3if6 h LEU 257 Ca 0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3if6 h LEU 257 Cb 0.81 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3if6 h LEU 257 CO 0.05 0.68 0.25 0.03 0.09 0.00 0.00 178.44 179.54 3if6 h ARG 258 N 1.13 0.85 0.00 1.13 3.08 -0.95 0.15 114.38 119.77 3if6 h ARG 258 Ca 0.32 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 3if6 h ARG 258 Cb -0.08 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 3if6 h ARG 258 CO -0.08 0.69 -0.14 0.66 -1.07 0.00 0.00 179.97 180.03 3if6 h SER 259 N 0.85 0.00 -0.44 7.04 4.64 -0.82 -0.85 113.55 123.96 3if6 h SER 259 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3if6 h SER 259 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3if6 h SER 259 CO -0.02 0.14 0.00 2.30 -0.87 0.00 0.00 176.83 178.38 3if6 n ILE 260 N -3.35 1.98 -3.54 0.95 -5.35 -1.12 -4.99 119.36 103.94 3if6 n ILE 260 Ca -0.00 -1.44 -0.19 0.00 -0.27 0.00 0.00 62.75 60.84 3if6 n ILE 260 Cb 0.35 0.00 0.06 0.00 -1.74 0.00 0.00 39.64 38.31 3if6 n ILE 260 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3if6 n ASP 261 N 0.34 -2.25 -0.08 7.28 8.00 -0.33 -4.91 116.55 124.60 3if6 n ASP 261 Ca 0.22 -0.73 0.01 0.00 0.71 0.00 0.00 54.79 55.00 3if6 n ASP 261 Cb 0.85 -4.61 0.01 0.00 -0.02 0.00 0.00 41.12 37.34 3if6 n ASP 261 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3if6 n ALA 262 N -4.10 2.48 -3.01 2.24 0.00 0.49 -4.95 120.51 113.66 3if6 n ALA 262 Ca -0.26 -0.49 -0.12 0.00 0.00 0.00 0.00 53.44 52.57 3if6 n ALA 262 Cb 0.67 -0.07 -0.12 0.00 0.00 0.00 0.00 19.45 19.93 3if6 n ALA 262 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3if6 s LEU 263 N -0.27 1.67 0.72 0.00 1.43 -1.20 -4.87 118.68 116.17 3if6 s LEU 263 Ca 0.02 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.03 3if6 s LEU 263 Cb 0.02 0.40 0.02 0.00 0.03 0.00 0.00 46.19 46.66 3if6 s LEU 263 CO 0.03 -0.15 1.07 -2.16 0.23 0.00 0.00 176.35 175.36 3if6 s PRO 264 N -0.51 2.72 0.00 1.29 0.04 -1.26 -4.45 135.00 132.84 3if6 s PRO 264 Ca -0.06 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.85 3if6 s PRO 264 Cb -0.04 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3if6 s PRO 264 CO 0.00 -1.23 0.00 -0.35 0.04 0.00 0.00 177.00 175.47 3if6 n PRO 265 N -3.20 -0.03 -0.79 0.56 -0.04 -1.26 -4.96 135.00 125.28 3if6 n PRO 265 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3if6 n PRO 265 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 3if6 n PRO 265 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55