#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tff h LEU 8 N 0.00 0.81 -7.70 3.41 3.38 -1.85 -3.38 115.31 109.98 1tff h LEU 8 Ca 0.00 -0.44 -0.45 0.00 0.09 0.00 0.00 57.88 57.08 1tff h LEU 8 Cb 0.00 -0.23 -0.35 0.00 0.09 0.00 0.00 40.66 40.16 1tff h LEU 8 CO 0.00 1.20 -0.78 -0.63 0.09 0.00 0.00 178.44 178.32 1tff s ILE 9 N -4.06 0.67 0.79 1.22 -1.09 -1.26 -0.74 121.20 116.72 1tff s ILE 9 Ca -0.09 -0.14 -0.11 0.00 -2.23 0.00 0.00 60.65 58.07 1tff s ILE 9 Cb 0.11 -0.71 0.07 0.00 -1.58 0.00 0.00 42.46 40.35 1tff s ILE 9 CO 0.87 0.28 1.15 -0.94 -1.23 0.00 0.00 174.94 175.07 1tff s SER 10 N 1.28 4.60 0.98 3.58 1.04 0.31 -4.93 113.70 120.55 1tff s SER 10 Ca -0.05 0.76 -0.12 0.00 0.48 0.00 0.00 55.95 57.03 1tff s SER 10 Cb -0.14 -1.29 0.18 0.00 0.10 0.00 0.00 66.02 64.87 1tff s SER 10 CO -0.02 -1.83 1.08 -1.83 0.98 0.00 0.00 173.24 171.62 1tff s GLU 11 N -5.52 0.59 0.21 4.02 1.03 -1.26 -4.67 118.70 113.09 1tff s GLU 11 Ca 0.61 0.81 -0.30 0.00 0.03 0.00 0.00 54.97 56.13 1tff s GLU 11 Cb -0.11 -1.73 -0.08 0.00 -0.80 0.00 0.00 34.13 31.41 1tff s GLU 11 CO 0.49 -2.70 1.10 0.15 -1.33 0.00 0.00 175.26 172.97 1tff s LYS 12 N -4.82 4.61 0.23 -4.83 1.02 -1.26 -4.49 119.74 110.20 1tff s LYS 12 Ca 0.65 1.75 0.03 0.00 0.02 0.00 0.00 55.97 58.41 1tff s LYS 12 Cb -0.20 -3.25 -0.05 0.00 -0.52 0.00 0.00 37.83 33.81 1tff s LYS 12 CO 0.59 0.13 0.02 0.00 -0.92 0.00 0.00 175.35 175.17 1tff n ASP 14 N -0.41 3.11 -0.21 0.00 8.00 -1.26 -1.21 116.55 124.56 1tff n ASP 14 Ca -0.04 1.07 0.01 0.00 0.71 0.00 0.00 54.79 56.54 1tff n ASP 14 Cb 0.64 -1.59 0.12 0.00 -0.02 0.00 0.00 41.12 40.27 1tff n ASP 14 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1tff h ILE 15 N 1.99 0.73 0.00 0.53 1.08 -1.88 -2.08 117.51 117.88 1tff h ILE 15 Ca -0.51 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 63.83 1tff h ILE 15 Cb 1.28 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 35.34 1tff h ILE 15 CO 0.60 0.07 0.00 0.18 -0.69 0.00 0.00 178.15 178.31 1tff n LEU 16 N -5.02 0.08 0.22 1.44 4.32 -1.26 -0.98 117.00 115.79 1tff n LEU 16 Ca 0.10 0.53 0.15 0.00 -0.02 0.00 0.00 56.01 56.77 1tff n LEU 16 Cb 0.30 -0.54 0.63 0.00 -1.62 0.00 0.00 43.42 42.19 1tff n LEU 16 CO 0.20 -0.49 0.94 0.77 -1.22 0.00 0.00 177.39 177.60 1tff h SER 17 N 0.00 0.00 -0.25 -1.43 4.64 -1.75 -1.91 113.55 112.85 1tff h SER 17 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1tff h SER 17 Cb 0.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1tff h SER 17 CO 0.00 0.00 0.05 0.40 -0.87 0.00 0.00 176.83 176.41 1tff h ILE 18 N 0.00 1.18 0.00 0.95 2.04 -1.24 -2.52 117.51 117.92 1tff h ILE 18 Ca 0.00 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1tff h ILE 18 Cb 0.42 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1tff h ILE 18 CO 0.00 0.23 -0.07 -0.07 0.00 0.00 0.00 178.15 178.25 1tff h LEU 19 N 0.50 0.00 -0.99 1.44 3.38 -1.55 -3.40 115.31 114.69 1tff h LEU 19 Ca 0.11 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.29 1tff h LEU 19 Cb 0.25 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.81 1tff h LEU 19 CO 0.00 0.30 -0.20 -1.14 0.09 0.00 0.00 178.44 177.48 1tff n ARG 20 N -3.47 -0.09 0.00 1.13 3.00 -1.09 -3.95 116.66 112.20 1tff n ARG 20 Ca -0.01 1.54 0.00 0.00 -0.00 0.00 0.00 57.85 59.38 1tff n ARG 20 Cb 0.03 -2.32 0.00 0.00 0.00 0.00 0.00 32.46 30.18 1tff n ARG 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1tff n ASP 21 N -5.60 0.00 -0.16 6.15 8.00 -0.95 -4.76 116.55 119.23 1tff n ASP 21 Ca 0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1tff n ASP 21 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 1tff n ASP 21 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1tff n HIS 22 N 0.00 0.00 0.27 1.24 8.25 -1.25 -4.86 115.22 118.86 1tff n HIS 22 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.60 1tff n HIS 22 Cb 0.00 0.00 0.75 0.00 1.12 0.00 0.00 29.99 31.86 1tff n HIS 22 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1tff h PRO 23 N 0.68 0.00 -0.55 -0.41 0.11 -1.86 -3.12 132.00 126.85 1tff h PRO 23 Ca 0.00 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.21 1tff h PRO 23 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 1tff h PRO 23 CO 0.00 0.10 0.37 1.05 -0.21 0.00 0.00 178.00 179.32 1tff h GLU 24 N 0.00 0.31 0.00 1.05 4.11 -1.92 -3.00 114.58 115.13 1tff h GLU 24 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1tff h GLU 24 Cb 0.36 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1tff h GLU 24 CO 0.01 0.20 0.00 0.09 0.07 0.00 0.00 179.01 179.39 1tff n ASN 25 N -4.46 0.00 0.21 3.06 3.02 -1.18 -4.18 115.26 111.72 1tff n ASN 25 Ca 0.09 -0.64 0.05 0.00 -0.03 0.00 0.00 54.58 54.05 1tff n ASN 25 Cb 0.39 -0.06 0.45 0.00 -0.61 0.00 0.00 39.78 39.95 1tff n ASN 25 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1tff h ARG 26 N 0.00 0.00 -0.11 3.52 3.08 -1.73 -2.61 114.38 116.52 1tff h ARG 26 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1tff h ARG 26 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1tff h ARG 26 CO 0.00 0.30 0.07 0.97 -1.07 0.00 0.00 179.97 180.23 1tff h ILE 27 N 0.00 1.03 -0.63 2.04 6.09 -1.86 -2.71 117.51 121.47 1tff h ILE 27 Ca -0.00 -0.07 -0.22 0.00 -1.37 0.00 0.00 64.86 63.20 1tff h ILE 27 Cb 0.58 0.88 -0.13 0.00 0.47 0.00 0.00 36.82 38.62 1tff h ILE 27 CO 0.04 0.03 0.28 -1.22 -3.07 0.00 0.00 178.15 174.21 1tff n TYR 28 N -4.52 2.05 -0.20 2.19 4.01 -0.98 -4.64 117.16 115.08 1tff n TYR 28 Ca -0.01 -1.10 0.04 0.00 -0.16 0.00 0.00 57.90 56.67 1tff n TYR 28 Cb 0.09 -0.63 0.31 0.00 -0.31 0.00 0.00 39.34 38.80 1tff n TYR 28 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1tff h ARG 29 N 1.86 0.84 -0.10 -0.72 2.43 -1.57 -1.50 114.38 115.62 1tff h ARG 29 Ca 0.27 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.23 1tff h ARG 29 Cb 2.10 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 31.45 1tff h ARG 29 CO 0.65 0.55 -0.63 -0.09 -1.51 0.00 0.00 179.97 178.94 1tff h ARG 30 N 0.86 0.36 -0.29 0.20 9.65 -1.86 0.11 114.38 123.40 1tff h ARG 30 Ca 0.30 -0.25 -0.17 0.00 -1.10 0.00 0.00 59.98 58.75 1tff h ARG 30 Cb 0.10 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1tff h ARG 30 CO -0.09 0.87 -0.50 -0.22 2.80 0.00 0.00 179.97 182.83 1tff h LYS 31 N 0.26 0.82 -0.54 0.20 3.11 -1.73 -1.25 116.57 117.44 1tff h LYS 31 Ca -0.01 -0.49 -0.10 0.00 -2.81 0.00 0.00 60.65 57.24 1tff h LYS 31 Cb 1.16 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.42 1tff h LYS 31 CO 0.11 1.13 -0.06 0.82 -2.81 0.00 0.00 179.45 178.64 1tff h ILE 32 N 0.64 1.26 -0.42 2.00 5.03 -1.20 0.31 117.51 125.14 1tff h ILE 32 Ca 0.03 -1.19 -0.11 0.00 -0.12 0.00 0.00 64.86 63.47 1tff h ILE 32 Cb 1.09 0.90 -0.01 0.00 -3.03 0.00 0.00 36.82 35.77 1tff h ILE 32 CO 0.11 0.42 -0.20 -0.33 -0.68 0.00 0.00 178.15 177.47 1tff h GLU 33 N 0.89 0.83 -0.54 2.37 5.08 -0.83 -1.31 114.58 121.06 1tff h GLU 33 Ca 0.15 -0.33 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1tff h GLU 33 Cb 0.60 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1tff h GLU 33 CO 0.04 0.95 0.08 1.49 -1.00 0.00 0.00 179.01 180.57 1tff h GLU 34 N 0.72 0.87 -0.84 2.33 4.22 -0.71 -2.58 114.58 118.60 1tff h GLU 34 Ca 0.10 -0.21 0.03 0.00 0.08 0.00 0.00 59.36 59.37 1tff h GLU 34 Cb 0.72 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 1tff h GLU 34 CO 0.06 0.82 0.55 -0.07 -2.18 0.00 0.00 179.01 178.18 1tff h LEU 35 N 0.82 0.89 -1.73 1.64 3.38 -0.64 -1.95 115.31 117.73 1tff h LEU 35 Ca 0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1tff h LEU 35 Cb 0.38 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1tff h LEU 35 CO 0.01 0.61 0.00 0.77 0.09 0.00 0.00 178.44 179.92 1tff h SER 36 N 1.04 0.00 0.80 -0.43 4.64 -0.83 0.20 113.55 118.96 1tff h SER 36 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1tff h SER 36 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1tff h SER 36 CO -0.10 0.00 -0.80 0.29 -0.87 0.00 0.00 176.83 175.35 1tff n LYS 37 N -2.77 0.36 -0.01 4.77 5.02 -0.74 -4.22 118.16 120.58 1tff n LYS 37 Ca -0.00 0.08 0.08 0.00 -2.02 0.00 0.00 58.31 56.44 1tff n LYS 37 Cb 0.18 -1.70 -0.14 0.00 -0.02 0.00 0.00 35.03 33.35 1tff n LYS 37 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1tff n ARG 38 N -2.21 0.59 -4.37 1.97 1.74 -0.28 -4.93 116.66 109.16 1tff n ARG 38 Ca 0.02 -0.15 -0.28 0.00 -0.77 0.00 0.00 57.85 56.67 1tff n ARG 38 Cb 0.46 -1.42 -0.13 0.00 -1.02 0.00 0.00 32.46 30.35 1tff n ARG 38 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1tff s PHE 39 N -3.18 2.17 -0.81 -1.55 0.08 0.54 -2.10 117.98 113.14 1tff s PHE 39 Ca -0.07 -0.39 0.12 0.00 0.12 0.00 0.00 56.93 56.72 1tff s PHE 39 Cb 0.11 -1.18 -0.08 0.00 -0.57 0.00 0.00 43.02 41.30 1tff s PHE 39 CO 0.73 0.30 0.60 0.25 -0.10 0.00 0.00 175.22 177.01 1tff n THR 40 N 0.97 0.00 -3.50 0.64 -2.24 0.67 -4.55 114.28 106.27 1tff n THR 40 Ca -0.18 -0.27 -0.09 0.00 -2.27 0.00 0.00 64.05 61.23 1tff n THR 40 Cb 0.53 1.06 -0.02 0.00 -2.10 0.00 0.00 70.33 69.80 1tff n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tff s ALA 41 N -1.93 -1.71 -0.01 6.98 0.00 -1.24 -4.45 121.76 119.41 1tff s ALA 41 Ca 0.07 0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.77 1tff s ALA 41 Cb 0.10 0.62 -0.00 0.00 0.00 0.00 0.00 23.12 23.83 1tff s ALA 41 CO 0.43 -0.75 -0.06 -1.50 0.00 0.00 0.00 175.76 173.88 1tff s ILE 42 N -3.39 0.47 -0.08 0.00 2.07 -0.35 -2.51 121.20 117.40 1tff s ILE 42 Ca 0.04 -0.25 0.00 0.00 -1.41 0.00 0.00 60.65 59.03 1tff s ILE 42 Cb -0.01 -0.40 -0.03 0.00 0.13 0.00 0.00 42.46 42.15 1tff s ILE 42 CO -0.09 0.13 -0.06 -0.13 -1.91 0.00 0.00 174.94 172.88 1tff s ARG 43 N -0.11 2.88 0.05 3.50 0.52 0.19 -0.94 118.95 125.04 1tff s ARG 43 Ca 0.02 -0.54 -0.19 0.00 -0.52 0.00 0.00 55.73 54.51 1tff s ARG 43 Cb -0.03 -2.64 -0.06 0.00 0.52 0.00 0.00 34.95 32.74 1tff s ARG 43 CO -0.00 0.61 0.54 0.15 0.02 0.00 0.00 175.30 176.62 1tff s LYS 44 N -0.66 4.16 0.03 3.54 3.01 -1.26 -0.48 119.74 128.07 1tff s LYS 44 Ca 0.10 0.67 0.05 0.00 -1.01 0.00 0.00 55.97 55.78 1tff s LYS 44 Cb -0.11 -3.24 -0.03 0.00 -1.01 0.00 0.00 37.83 33.43 1tff s LYS 44 CO 0.02 0.63 -0.12 0.95 0.51 0.00 0.00 175.35 177.33 1tff s THR 45 N -1.02 3.22 0.42 2.17 -4.23 -1.26 -0.53 115.64 114.40 1tff s THR 45 Ca 0.28 -1.00 -0.26 0.00 -1.18 0.00 0.00 61.69 59.53 1tff s THR 45 Cb -0.19 -2.38 -0.10 0.00 1.34 0.00 0.00 72.50 71.17 1tff s THR 45 CO 0.18 0.35 1.39 1.17 -0.54 0.00 0.00 174.62 177.17 1tff n LYS 46 N 1.52 2.26 -2.63 3.99 4.81 0.08 -4.93 118.16 123.25 1tff n LYS 46 Ca -0.16 0.80 -0.43 0.00 -0.87 0.00 0.00 58.31 57.65 1tff n LYS 46 Cb 0.52 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 33.02 1tff n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1tff n GLY 47 N 0.62 3.97 0.22 3.14 0.00 -1.26 -4.46 105.19 107.42 1tff n GLY 47 Ca 0.05 -2.01 0.08 0.00 0.00 0.00 0.00 46.02 44.13 1tff n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1tff n ASP 48 N 5.00 1.78 0.00 1.61 5.75 -1.26 -4.98 116.55 124.45 1tff n ASP 48 Ca 0.39 -2.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.29 1tff n ASP 48 Cb 0.40 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 1tff n ASP 48 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1tff n ARG 49 N -1.08 -0.15 -0.03 0.11 1.74 -1.26 -4.51 116.66 111.47 1tff n ARG 49 Ca 0.13 0.04 0.02 0.00 -0.77 0.00 0.00 57.85 57.26 1tff n ARG 49 Cb 0.66 -3.07 0.03 0.00 -1.02 0.00 0.00 32.46 29.07 1tff n ARG 49 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1tff n ASN 50 N -0.08 1.96 0.12 0.55 3.02 -1.26 -3.67 115.26 115.90 1tff n ASN 50 Ca 0.00 -1.74 -0.01 0.00 -0.03 0.00 0.00 54.58 52.80 1tff n ASN 50 Cb 0.04 -0.04 0.04 0.00 -0.61 0.00 0.00 39.78 39.21 1tff n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1tff h PHE 52 N 0.00 0.00 -0.68 0.00 3.57 -1.89 0.30 116.94 118.24 1tff h PHE 52 Ca -0.01 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1tff h PHE 52 Cb 1.41 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 40.14 1tff h PHE 52 CO 0.00 -0.01 0.13 1.88 -2.23 0.00 0.00 178.31 178.08 1tff h TYR 53 N 0.05 1.18 -0.31 0.41 0.05 -1.76 -0.86 116.97 115.72 1tff h TYR 53 Ca 0.06 -0.15 -0.16 0.00 0.05 0.00 0.00 58.73 58.52 1tff h TYR 53 Cb 0.07 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 37.48 1tff h TYR 53 CO -0.14 0.97 -0.44 -0.09 -1.05 0.00 0.00 178.16 177.42 1tff h ARG 54 N 1.04 0.84 -0.08 4.88 2.43 -1.05 -1.50 114.38 120.94 1tff h ARG 54 Ca 0.21 -0.49 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 1tff h ARG 54 Cb 0.41 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1tff h ARG 54 CO 0.01 1.13 0.00 0.00 -1.51 0.00 0.00 179.97 179.60 1tff h ALA 55 N 0.70 0.10 -0.39 2.80 0.00 -0.92 -0.62 119.26 120.94 1tff h ALA 55 Ca 0.03 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1tff h ALA 55 Cb 1.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1tff h ALA 55 CO 0.10 -0.22 -0.12 1.25 0.00 0.00 0.00 179.25 180.25 1tff h LEU 56 N -0.14 0.79 -0.37 0.00 5.85 -1.16 -0.82 115.31 119.46 1tff h LEU 56 Ca 0.02 -0.38 -0.10 0.00 0.84 0.00 0.00 57.88 58.27 1tff h LEU 56 Cb 0.33 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1tff h LEU 56 CO 0.00 0.99 -0.16 1.23 -0.34 0.00 0.00 178.44 180.16 1tff h GLY 57 N 0.59 0.83 0.90 3.75 0.00 -1.24 -0.72 103.07 107.17 1tff h GLY 57 Ca 0.10 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 1tff h GLY 57 CO 0.04 0.67 0.10 -1.82 0.00 0.00 0.00 176.54 175.53 1tff h TYR 58 N 0.56 0.43 -0.17 5.60 3.20 -1.02 -2.54 116.97 123.03 1tff h TYR 58 Ca 0.09 -0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.78 1tff h TYR 58 Cb 0.70 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1tff h TYR 58 CO 0.06 0.45 -0.49 1.03 -1.64 0.00 0.00 178.16 177.57 1tff h SER 59 N 0.29 0.48 -0.12 -2.11 0.87 -1.06 -0.45 113.55 111.45 1tff h SER 59 Ca 0.09 -0.24 -0.07 0.00 -1.23 0.00 0.00 61.79 60.35 1tff h SER 59 Cb 0.21 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1tff h SER 59 CO -0.00 0.89 -0.18 0.22 -0.53 0.00 0.00 176.83 177.22 1tff h TYR 60 N 0.35 0.42 -0.88 2.24 3.20 -1.11 -1.79 116.97 119.39 1tff h TYR 60 Ca 0.02 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.73 1tff h TYR 60 Cb 0.98 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.13 1tff h TYR 60 CO 0.03 0.79 0.48 -0.07 -1.64 0.00 0.00 178.16 177.76 1tff h LEU 61 N -0.08 1.10 -0.94 2.82 3.38 -1.30 -2.32 115.31 117.97 1tff h LEU 61 Ca 0.01 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 57.97 1tff h LEU 61 Cb 0.75 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 1tff h LEU 61 CO 0.04 0.88 0.59 -0.08 0.09 0.00 0.00 178.44 179.97 1tff h GLU 62 N 1.24 1.00 0.00 1.13 4.81 -1.02 -1.32 114.58 120.42 1tff h GLU 62 Ca 0.31 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1tff h GLU 62 Cb 0.03 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 1tff h GLU 62 CO -0.05 0.66 -0.04 0.66 -0.73 0.00 0.00 179.01 179.51 1tff h SER 63 N 1.04 0.00 1.15 1.04 4.64 -0.77 -2.30 113.55 118.35 1tff h SER 63 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1tff h SER 63 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1tff h SER 63 CO -0.20 0.04 -0.28 0.18 -0.87 0.00 0.00 176.83 175.70 1tff n LEU 64 N -3.22 0.71 -4.66 5.97 4.77 -0.50 -4.88 117.00 115.19 1tff n LEU 64 Ca -0.01 0.40 -0.47 0.00 -0.03 0.00 0.00 56.01 55.91 1tff n LEU 64 Cb 0.24 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1tff n LEU 64 CO 0.26 -0.11 1.11 0.18 -1.33 0.00 0.00 177.39 177.51 1tff n LEU 65 N -2.13 2.85 0.00 2.23 4.77 -0.87 -0.86 117.00 122.99 1tff n LEU 65 Ca 0.05 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 1tff n LEU 65 Cb 0.43 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 1tff n LEU 65 CO 0.33 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 1tff n GLY 66 N 3.06 0.65 3.17 -0.72 0.00 -1.26 -4.96 105.19 105.14 1tff n GLY 66 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1tff n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tff s LYS 67 N -0.33 2.84 0.13 1.61 1.02 -0.04 -4.94 119.74 120.02 1tff s LYS 67 Ca 0.00 -2.41 -0.27 0.00 0.02 0.00 0.00 55.97 53.31 1tff s LYS 67 Cb 0.00 -3.95 -0.04 0.00 -0.52 0.00 0.00 37.83 33.32 1tff s LYS 67 CO 0.00 -1.21 1.61 0.77 -0.92 0.00 0.00 175.35 175.60 1tff h SER 68 N 7.43 -1.05 0.27 2.83 0.02 -1.93 0.22 113.55 121.34 1tff h SER 68 Ca -0.01 0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 1tff h SER 68 Cb 0.99 0.43 -0.01 0.00 0.14 0.00 0.00 62.40 63.95 1tff h SER 68 CO 0.74 -0.39 -0.37 0.03 -1.14 0.00 0.00 176.83 175.71 1tff h ARG 69 N -0.45 0.14 -0.23 3.45 3.08 -1.97 0.12 114.38 118.52 1tff h ARG 69 Ca 0.08 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 59.90 1tff h ARG 69 Cb 0.57 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1tff h ARG 69 CO -0.33 0.49 -0.50 0.93 -1.07 0.00 0.00 179.97 179.50 1tff h GLU 70 N 0.12 0.75 -0.41 0.04 5.08 -1.88 -2.43 114.58 115.84 1tff h GLU 70 Ca 0.01 -0.49 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 1tff h GLU 70 Cb 0.71 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1tff h GLU 70 CO 0.05 1.12 0.16 0.82 -1.00 0.00 0.00 179.01 180.16 1tff h ILE 71 N 0.48 1.20 -0.45 3.13 2.04 -0.36 -1.03 117.51 122.52 1tff h ILE 71 Ca 0.00 -0.62 0.09 0.00 1.00 0.00 0.00 64.86 65.33 1tff h ILE 71 Cb 1.11 0.84 -0.10 0.00 -0.74 0.00 0.00 36.82 37.93 1tff h ILE 71 CO 0.11 0.23 -0.24 0.15 0.00 0.00 0.00 178.15 178.40 1tff h PHE 72 N 0.53 -0.62 -0.08 1.37 3.57 -0.78 -0.13 116.94 120.79 1tff h PHE 72 Ca 0.14 0.05 -0.16 0.00 3.53 0.00 0.00 57.97 61.53 1tff h PHE 72 Cb 0.20 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1tff h PHE 72 CO 0.00 -0.32 -0.64 -0.22 -2.23 0.00 0.00 178.31 174.91 1tff h LYS 73 N -0.15 0.31 -0.38 1.11 3.64 -1.20 -2.19 116.57 117.71 1tff h LYS 73 Ca 0.21 -0.22 -0.15 0.00 -1.27 0.00 0.00 60.65 59.22 1tff h LYS 73 Cb 0.48 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1tff h LYS 73 CO -0.54 0.84 -0.36 0.35 -2.27 0.00 0.00 179.45 177.48 1tff h PHE 74 N 0.22 1.05 -0.63 1.91 3.57 -0.92 -2.57 116.94 119.57 1tff h PHE 74 Ca -0.01 -0.30 -0.06 0.00 3.53 0.00 0.00 57.97 61.13 1tff h PHE 74 Cb 1.16 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.65 1tff h PHE 74 CO 0.03 1.10 0.16 -0.22 -2.23 0.00 0.00 178.31 177.16 1tff h LYS 75 N 0.73 1.01 -0.32 1.11 3.64 -0.74 -0.61 116.57 121.40 1tff h LYS 75 Ca 0.07 -0.24 -0.06 0.00 -1.27 0.00 0.00 60.65 59.15 1tff h LYS 75 Cb 0.93 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 1tff h LYS 75 CO 0.09 0.91 -0.07 0.93 -2.27 0.00 0.00 179.45 179.03 1tff h GLU 76 N 0.93 0.52 -0.34 1.90 4.39 -1.28 -1.13 114.58 119.57 1tff h GLU 76 Ca 0.20 -0.13 -0.17 0.00 0.34 0.00 0.00 59.36 59.59 1tff h GLU 76 Cb 0.35 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1tff h GLU 76 CO 0.00 0.60 -0.47 -0.09 -1.16 0.00 0.00 179.01 177.89 1tff h ARG 77 N 0.49 0.91 -0.15 2.33 9.65 -1.01 -2.98 114.38 123.61 1tff h ARG 77 Ca 0.10 -0.53 -0.11 0.00 -1.10 0.00 0.00 59.98 58.33 1tff h ARG 77 Cb 0.43 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 1tff h ARG 77 CO 0.02 1.18 -0.38 0.28 2.80 0.00 0.00 179.97 183.87 1tff h VAL 78 N 0.72 1.30 0.00 0.20 2.07 -0.81 -1.98 116.25 117.75 1tff h VAL 78 Ca 0.04 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.08 1tff h VAL 78 Cb 1.08 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1tff h VAL 78 CO 0.11 0.45 -0.01 -0.07 0.02 0.00 0.00 177.57 178.07 1tff h LEU 79 N 0.28 0.00 0.00 2.57 3.38 -1.07 -2.12 115.31 118.35 1tff h LEU 79 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1tff h LEU 79 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1tff h LEU 79 CO 0.06 0.01 -0.45 0.00 0.09 0.00 0.00 178.44 178.15 1tff n GLN 80 N -3.11 0.16 0.12 1.13 1.13 -0.76 -4.36 117.38 111.70 1tff n GLN 80 Ca -0.01 0.06 0.03 0.00 -1.94 0.00 0.00 57.00 55.14 1tff n GLN 80 Cb 0.21 -1.61 0.42 0.00 0.11 0.00 0.00 30.24 29.36 1tff n GLN 80 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1tff h THR 81 N 0.00 1.15 -0.49 5.09 1.35 -1.24 -0.99 112.91 117.78 1tff h THR 81 Ca 0.00 -0.65 0.13 0.00 -0.55 0.00 0.00 66.41 65.34 1tff h THR 81 Cb 0.64 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 68.16 1tff h THR 81 CO 0.00 0.21 0.35 -0.65 -0.25 0.00 0.00 175.52 175.17 1tff h PRO 82 N 0.23 0.09 -0.10 4.72 0.11 -1.76 -1.50 132.00 133.78 1tff h PRO 82 Ca 0.05 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.98 1tff h PRO 82 Cb 0.30 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1tff h PRO 82 CO 0.01 0.06 -0.66 -0.91 -0.21 0.00 0.00 178.00 176.29 1tff h ASN 83 N 0.09 0.47 -0.58 -2.05 2.35 -1.49 -1.08 115.58 113.30 1tff h ASN 83 Ca 0.23 -0.29 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 1tff h ASN 83 Cb 0.82 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.02 1tff h ASN 83 CO -0.02 1.00 0.06 0.44 -1.65 0.00 0.00 177.43 177.27 1tff h ASP 84 N 0.29 0.97 -0.12 5.81 3.32 -1.14 0.67 116.42 126.22 1tff h ASP 84 Ca -0.02 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 1tff h ASP 84 Cb 1.21 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 1tff h ASP 84 CO 0.11 0.99 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.54 1tff h LEU 85 N 0.94 0.21 -0.33 1.55 3.38 -1.24 -1.42 115.31 118.40 1tff h LEU 85 Ca 0.18 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1tff h LEU 85 Cb 0.46 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1tff h LEU 85 CO 0.02 0.49 0.15 0.25 0.09 0.00 0.00 178.44 179.44 1tff h LEU 86 N -0.08 0.45 -2.21 1.67 5.85 -1.20 -0.36 115.31 119.44 1tff h LEU 86 Ca 0.03 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1tff h LEU 86 Cb 0.39 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1tff h LEU 86 CO 0.01 0.47 -0.01 0.00 -0.34 0.00 0.00 178.44 178.57 1tff h ALA 87 N 0.99 1.76 -0.00 1.25 0.00 -0.71 -0.92 119.26 121.64 1tff h ALA 87 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1tff h ALA 87 Cb 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1tff h ALA 87 CO -0.01 0.01 -0.04 0.00 0.00 0.00 0.00 179.25 179.20 1tff n ALA 88 N -2.44 2.54 0.00 0.00 0.00 -0.55 -4.92 120.51 115.15 1tff n ALA 88 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1tff n ALA 88 Cb 0.09 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1tff n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tff n GLY 89 N 1.35 0.71 3.79 0.00 0.00 -0.35 -4.95 105.19 105.75 1tff n GLY 89 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1tff n GLY 89 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tff s PHE 90 N -2.00 3.84 0.04 1.61 0.08 -0.18 -4.98 117.98 116.39 1tff s PHE 90 Ca 0.00 1.53 -0.22 0.00 0.12 0.00 0.00 56.93 58.36 1tff s PHE 90 Cb 0.00 -2.69 -0.06 0.00 -0.57 0.00 0.00 43.02 39.70 1tff s PHE 90 CO 0.00 0.49 0.64 -1.21 -0.10 0.00 0.00 175.22 175.04 1tff s GLU 91 N -1.32 4.36 0.36 0.44 2.02 -1.26 -3.97 118.70 119.33 1tff s GLU 91 Ca 0.36 0.85 0.13 0.00 0.02 0.00 0.00 54.97 56.33 1tff s GLU 91 Cb -0.21 -3.32 0.96 0.00 0.10 0.00 0.00 34.13 31.66 1tff s GLU 91 CO 0.24 0.43 1.78 1.49 0.02 0.00 0.00 175.26 179.22 1tff h GLU 92 N 5.28 0.52 -0.41 1.61 4.22 -1.96 0.11 114.58 123.96 1tff h GLU 92 Ca -0.46 -0.03 0.08 0.00 0.08 0.00 0.00 59.36 59.03 1tff h GLU 92 Cb 1.20 -0.12 -0.09 0.00 0.50 0.00 0.00 28.75 30.25 1tff h GLU 92 CO 0.68 0.34 -0.17 1.25 -2.18 0.00 0.00 179.01 178.94 1tff h HIS 93 N 0.54 -0.41 0.00 0.92 2.76 -2.01 -2.12 115.15 114.83 1tff h HIS 93 Ca 0.58 0.04 -0.18 0.00 -2.20 0.00 0.00 60.37 58.62 1tff h HIS 93 Cb 1.23 0.24 -0.03 0.00 1.55 0.00 0.00 27.41 30.41 1tff h HIS 93 CO -0.00 -0.25 -0.84 -0.22 -1.30 0.00 0.00 177.93 175.32 1tff h LYS 94 N -0.09 0.00 0.00 5.26 3.64 -1.17 -3.33 116.57 120.88 1tff h LYS 94 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1tff h LYS 94 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1tff h LYS 94 CO -0.47 0.84 -1.02 1.97 -2.27 0.00 0.00 179.45 178.49 1tff n PHE 95 N -3.50 0.00 -0.28 1.91 1.16 -1.15 -4.64 117.46 110.97 1tff n PHE 95 Ca -0.00 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.66 1tff n PHE 95 Cb 0.81 -0.03 0.23 0.00 -1.61 0.00 0.00 39.48 38.88 1tff n PHE 95 CO 0.00 0.00 0.00 -0.09 -1.87 0.00 0.00 176.76 174.80 1tff h ARG 96 N 0.00 0.39 0.00 3.97 2.43 -1.50 0.16 114.38 119.84 1tff h ARG 96 Ca 0.00 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 58.98 1tff h ARG 96 Cb 0.52 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1tff h ARG 96 CO 0.00 0.26 -0.81 -0.91 -1.51 0.00 0.00 179.97 177.00 1tff h ASN 97 N 0.40 0.00 0.04 -3.80 2.35 -1.84 -1.01 115.58 111.72 1tff h ASN 97 Ca 0.47 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.99 1tff h ASN 97 Cb 0.80 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.19 1tff h ASN 97 CO -0.47 0.81 -0.93 -0.26 -1.65 0.00 0.00 177.43 174.93 1tff h PHE 98 N 0.00 0.87 -0.24 1.19 0.04 -1.38 -1.93 116.94 115.48 1tff h PHE 98 Ca -0.01 -0.50 0.03 0.00 2.80 0.00 0.00 57.97 60.29 1tff h PHE 98 Cb 1.47 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 39.50 1tff h PHE 98 CO 0.00 1.33 0.08 0.35 -0.60 0.00 0.00 178.31 179.47 1tff h PHE 99 N 0.15 0.14 -0.68 -0.55 3.57 -0.73 -2.03 116.94 116.82 1tff h PHE 99 Ca -0.13 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.48 1tff h PHE 99 Cb 1.62 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 40.26 1tff h PHE 99 CO 0.13 0.06 0.31 -0.91 -2.23 0.00 0.00 178.31 175.67 1tff h ASN 100 N 0.18 0.37 -0.09 0.41 2.35 -1.12 0.17 115.58 117.87 1tff h ASN 100 Ca 0.11 0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 1tff h ASN 100 Cb 0.08 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1tff h ASN 100 CO -0.12 0.21 -0.31 0.00 -1.65 0.00 0.00 177.43 175.56 1tff h ALA 101 N 1.43 0.96 -0.06 -0.83 0.00 -1.04 -0.46 119.26 119.25 1tff h ALA 101 Ca 0.34 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1tff h ALA 101 Cb 0.38 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1tff h ALA 101 CO -0.29 0.61 -0.00 0.35 0.00 0.00 0.00 179.25 179.92 1tff h PHE 102 N 0.48 0.13 -0.54 0.00 3.57 -0.62 -2.87 116.94 117.09 1tff h PHE 102 Ca 0.06 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1tff h PHE 102 Cb 0.78 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 1tff h PHE 102 CO 0.03 0.40 0.36 -0.92 -2.23 0.00 0.00 178.31 175.95 1tff h TYR 103 N -0.19 0.61 -0.01 0.41 3.20 -0.42 -1.66 116.97 118.91 1tff h TYR 103 Ca 0.02 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 1tff h TYR 103 Cb 0.35 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1tff h TYR 103 CO 0.04 0.36 -0.45 1.03 -1.64 0.00 0.00 178.16 177.50 1tff h SER 104 N 0.64 0.03 0.09 -2.11 0.87 -1.00 -1.57 113.55 110.50 1tff h SER 104 Ca 0.21 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.61 1tff h SER 104 Cb 0.06 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1tff h SER 104 CO -0.05 0.48 -0.51 1.62 -0.53 0.00 0.00 176.83 177.84 1tff h VAL 105 N 0.03 1.33 -0.39 2.23 3.04 -1.17 -0.97 116.25 120.33 1tff h VAL 105 Ca -0.00 -1.74 -0.03 0.00 -1.01 0.00 0.00 66.70 63.92 1tff h VAL 105 Cb 0.82 1.75 -0.02 0.00 -2.01 0.00 0.00 31.29 31.82 1tff h VAL 105 CO 0.06 0.53 0.12 0.58 -1.01 0.00 0.00 177.57 177.86 1tff h VAL 106 N 0.37 1.21 -0.51 1.51 2.07 -0.99 -0.80 116.25 119.11 1tff h VAL 106 Ca 0.02 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1tff h VAL 106 Cb 1.01 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1tff h VAL 106 CO 0.09 0.25 0.23 -0.33 0.02 0.00 0.00 177.57 177.83 1tff h GLU 107 N 0.49 0.72 -0.16 1.57 5.08 -1.19 -0.98 114.58 120.11 1tff h GLU 107 Ca 0.13 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1tff h GLU 107 Cb 0.26 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1tff h GLU 107 CO -0.00 0.57 -0.00 1.25 -1.00 0.00 0.00 179.01 179.82 1tff h LEU 108 N 0.72 -0.07 -0.54 1.33 6.46 -0.76 0.15 115.31 122.60 1tff h LEU 108 Ca 0.18 0.04 0.09 0.00 -0.12 0.00 0.00 57.88 58.07 1tff h LEU 108 Cb 0.10 0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 40.02 1tff h LEU 108 CO -0.02 -0.01 0.13 0.58 -0.62 0.00 0.00 178.44 178.50 1tff h VAL 109 N 0.05 0.71 -0.48 1.05 2.07 -0.66 0.65 116.25 119.64 1tff h VAL 109 Ca 0.07 -0.09 -0.13 0.00 0.82 0.00 0.00 66.70 67.37 1tff h VAL 109 Cb 0.09 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1tff h VAL 109 CO -0.13 0.05 -0.22 -0.08 0.02 0.00 0.00 177.57 177.21 1tff h GLU 110 N 0.27 0.99 0.00 1.57 4.81 -0.84 -3.25 114.58 118.13 1tff h GLU 110 Ca 0.27 -0.43 -0.21 0.00 -0.13 0.00 0.00 59.36 58.87 1tff h GLU 110 Cb 0.37 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 1tff h GLU 110 CO -0.34 1.10 -1.77 1.63 -0.73 0.00 0.00 179.01 178.90 1tff n LYS 111 N -4.11 1.55 -0.08 1.92 5.02 0.49 -4.69 118.16 118.27 1tff n LYS 111 Ca 0.00 0.02 -0.08 0.00 -2.02 0.00 0.00 58.31 56.24 1tff n LYS 111 Cb 0.46 -1.28 -0.04 0.00 -0.02 0.00 0.00 35.03 34.15 1tff n LYS 111 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1tff h ASP 112 N 0.00 0.00 0.00 4.39 1.82 -1.05 -3.49 116.42 118.09 1tff h ASP 112 Ca -0.30 -0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.20 1tff h ASP 112 Cb 1.61 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.62 1tff h ASP 112 CO -0.01 0.89 0.00 0.61 -1.61 0.00 0.00 179.24 179.12 1tff n GLY 113 N 1.60 0.76 3.76 -0.78 0.00 -0.74 -5.01 105.19 104.78 1tff n GLY 113 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1tff n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tff s SER 114 N -2.57 5.69 0.16 1.61 1.04 -1.26 -4.62 113.70 113.75 1tff s SER 114 Ca 0.00 0.25 -0.12 0.00 0.48 0.00 0.00 55.95 56.56 1tff s SER 114 Cb 0.00 -1.69 0.04 0.00 0.10 0.00 0.00 66.02 64.47 1tff s SER 114 CO 0.00 0.37 1.67 0.58 0.98 0.00 0.00 173.24 176.84 1tff h VAL 115 N 3.94 1.24 -0.75 5.02 2.07 -1.97 -2.62 116.25 123.17 1tff h VAL 115 Ca -0.52 -0.86 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 1tff h VAL 115 Cb 1.20 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1tff h VAL 115 CO 0.57 0.32 0.27 0.77 0.02 0.00 0.00 177.57 179.52 1tff h SER 116 N 0.75 1.06 -0.23 0.57 4.64 -1.99 -1.48 113.55 116.88 1tff h SER 116 Ca 0.17 -0.18 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 1tff h SER 116 Cb 0.34 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1tff h SER 116 CO 0.00 0.96 -0.05 0.28 -0.87 0.00 0.00 176.83 177.15 1tff h SER 117 N 1.11 0.54 -0.28 4.97 0.02 -1.95 -1.70 113.55 116.26 1tff h SER 117 Ca 0.25 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1tff h SER 117 Cb 0.25 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1tff h SER 117 CO -0.02 0.65 0.11 0.25 -1.14 0.00 0.00 176.83 176.68 1tff h LEU 118 N 0.54 0.39 -0.83 5.07 5.85 -1.08 -1.14 115.31 124.10 1tff h LEU 118 Ca 0.11 -0.17 -0.12 0.00 0.84 0.00 0.00 57.88 58.54 1tff h LEU 118 Cb 0.42 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1tff h LEU 118 CO 0.02 0.45 -0.47 0.25 -0.34 0.00 0.00 178.44 178.35 1tff h LEU 119 N 0.30 0.29 -0.58 2.25 5.85 -1.25 -0.54 115.31 121.63 1tff h LEU 119 Ca 0.09 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1tff h LEU 119 Cb 0.19 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1tff h LEU 119 CO -0.01 0.72 0.27 0.50 -0.34 0.00 0.00 178.44 179.58 1tff h LYS 120 N 0.22 0.85 -0.54 1.25 3.64 -1.01 0.72 116.57 121.69 1tff h LYS 120 Ca 0.01 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1tff h LYS 120 Cb 0.91 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1tff h LYS 120 CO 0.07 0.70 0.22 0.28 -2.27 0.00 0.00 179.45 178.45 1tff h VAL 121 N 0.79 1.22 0.00 2.00 2.07 -0.02 -2.58 116.25 119.73 1tff h VAL 121 Ca 0.20 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1tff h VAL 121 Cb 0.14 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1tff h VAL 121 CO -0.02 0.26 0.00 -0.26 0.02 0.00 0.00 177.57 177.57 1tff h PHE 122 N 0.74 0.00 -0.20 1.57 0.04 -0.98 -0.77 116.94 117.34 1tff h PHE 122 Ca 0.18 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.95 1tff h PHE 122 Cb 0.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1tff h PHE 122 CO 0.01 0.00 0.00 0.09 -0.60 0.00 0.00 178.31 177.81 1tff n ASN 123 N -2.57 2.76 -4.56 2.17 3.02 0.23 -4.60 115.26 111.71 1tff n ASN 123 Ca 0.03 -1.89 -0.42 0.00 -0.03 0.00 0.00 54.58 52.27 1tff n ASN 123 Cb 0.33 -0.12 -0.07 0.00 -0.61 0.00 0.00 39.78 39.31 1tff n ASN 123 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1tff s ASP 124 N -1.72 6.39 0.21 6.41 -1.08 -0.30 -4.73 116.67 121.85 1tff s ASP 124 Ca 0.34 0.05 -0.16 0.00 -0.52 0.00 0.00 52.55 52.26 1tff s ASP 124 Cb 0.21 -2.31 0.21 0.00 -1.46 0.00 0.00 42.92 39.56 1tff s ASP 124 CO 0.30 -0.58 1.60 -0.61 0.52 0.00 0.00 175.17 176.40 1tff h GLN 125 N 8.50 -0.08 0.24 4.34 5.75 -1.86 0.40 115.11 132.40 1tff h GLN 125 Ca -0.27 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.23 1tff h GLN 125 Cb 1.11 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.68 1tff h GLN 125 CO 0.82 -0.05 -0.11 1.03 -2.65 0.00 0.00 178.83 177.87 1tff h SER 126 N -0.08 -0.27 -0.20 -0.69 0.87 -1.92 -1.12 113.55 110.14 1tff h SER 126 Ca 0.29 -0.18 -0.07 0.00 -1.23 0.00 0.00 61.79 60.60 1tff h SER 126 Cb 0.54 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 1tff h SER 126 CO -0.72 0.04 -0.08 0.00 -0.53 0.00 0.00 176.83 175.54 1tff h ALA 127 N 0.07 1.25 -0.32 6.23 0.00 -1.81 -2.53 119.26 122.15 1tff h ALA 127 Ca -0.03 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1tff h ALA 127 Cb 0.44 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1tff h ALA 127 CO 0.05 0.50 -0.36 1.03 0.00 0.00 0.00 179.25 180.47 1tff h SER 128 N 0.51 0.88 -0.10 0.00 0.87 -0.85 -2.11 113.55 112.75 1tff h SER 128 Ca 0.10 -0.48 -0.09 0.00 -1.23 0.00 0.00 61.79 60.09 1tff h SER 128 Cb 0.46 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1tff h SER 128 CO 0.02 1.18 -0.22 0.44 -0.53 0.00 0.00 176.83 177.73 1tff h ASP 129 N 0.60 0.51 -0.90 6.23 3.32 -1.15 -1.30 116.42 123.73 1tff h ASP 129 Ca 0.05 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1tff h ASP 129 Cb 0.95 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.32 1tff h ASP 129 CO 0.09 0.73 0.52 0.45 -1.72 0.00 0.00 179.24 179.31 1tff h HIS 130 N 0.46 1.22 -0.07 4.55 3.86 -1.37 0.16 115.15 123.96 1tff h HIS 130 Ca 0.07 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1tff h HIS 130 Cb 0.63 -0.39 -0.00 0.00 1.06 0.00 0.00 27.41 28.70 1tff h HIS 130 CO 0.02 0.83 0.03 0.82 0.86 0.00 0.00 177.93 180.49 1tff h ILE 131 N 1.26 1.12 -0.37 2.45 2.04 -1.13 0.18 117.51 123.06 1tff h ILE 131 Ca 0.32 -0.35 0.05 0.00 1.00 0.00 0.00 64.86 65.88 1tff h ILE 131 Cb -0.01 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 1tff h ILE 131 CO -0.06 0.10 0.09 0.58 0.00 0.00 0.00 178.15 178.87 1tff h VAL 132 N -0.03 0.84 -0.71 1.67 2.07 -1.09 -2.15 116.25 116.86 1tff h VAL 132 Ca 0.02 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 1tff h VAL 132 Cb 0.14 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1tff h VAL 132 CO -0.00 0.04 0.21 -0.61 0.02 0.00 0.00 177.57 177.23 1tff h GLN 133 N 0.23 1.11 -0.14 1.57 5.75 -0.75 -0.04 115.11 122.84 1tff h GLN 133 Ca 0.17 -0.25 0.05 0.00 -0.15 0.00 0.00 58.65 58.47 1tff h GLN 133 Cb 0.18 -0.16 -0.06 0.00 1.07 0.00 0.00 27.48 28.52 1tff h GLN 133 CO -0.21 0.96 -0.23 0.35 -2.65 0.00 0.00 178.83 177.05 1tff h PHE 134 N 1.06 -0.62 -0.50 3.99 3.57 -0.74 -0.77 116.94 122.93 1tff h PHE 134 Ca 0.23 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 1tff h PHE 134 Cb 0.32 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1tff h PHE 134 CO 0.03 -0.31 0.23 -0.07 -2.23 0.00 0.00 178.31 175.96 1tff h LEU 135 N -0.29 0.63 -0.47 0.59 3.38 -0.81 0.92 115.31 119.27 1tff h LEU 135 Ca 0.11 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1tff h LEU 135 Cb 0.45 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1tff h LEU 135 CO -0.31 0.55 -0.06 0.03 0.09 0.00 0.00 178.44 178.73 1tff h ARG 136 N 0.71 0.88 -0.27 1.13 3.08 -0.73 -1.46 114.38 117.72 1tff h ARG 136 Ca 0.18 -0.31 -0.15 0.00 0.07 0.00 0.00 59.98 59.76 1tff h ARG 136 Cb 0.09 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1tff h ARG 136 CO -0.02 0.95 -0.44 -0.07 -1.07 0.00 0.00 179.97 179.32 1tff h LEU 137 N 0.73 0.73 -0.71 3.04 3.38 -0.67 -1.20 115.31 120.61 1tff h LEU 137 Ca 0.13 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1tff h LEU 137 Cb 0.60 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1tff h LEU 137 CO 0.04 1.07 0.37 0.25 0.09 0.00 0.00 178.44 180.26 1tff h LEU 138 N 0.55 0.91 -0.13 1.67 5.85 -0.67 -0.02 115.31 123.47 1tff h LEU 138 Ca 0.04 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1tff h LEU 138 Cb 0.99 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1tff h LEU 138 CO 0.09 0.76 0.09 0.74 -0.34 0.00 0.00 178.44 179.78 1tff h THR 139 N 0.99 1.04 -0.29 1.05 2.02 -1.05 -1.35 112.91 115.31 1tff h THR 139 Ca 0.25 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.34 1tff h THR 139 Cb 0.07 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1tff h THR 139 CO -0.04 0.04 0.17 -1.28 0.37 0.00 0.00 175.52 174.79 1tff h SER 140 N 0.17 0.35 -0.58 4.18 0.87 -1.05 -0.65 113.55 116.85 1tff h SER 140 Ca 0.05 -0.05 0.09 0.00 -1.23 0.00 0.00 61.79 60.64 1tff h SER 140 Cb -0.01 -0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 61.79 1tff h SER 140 CO -0.01 0.30 0.19 0.00 -0.53 0.00 0.00 176.83 176.79 1tff h ALA 141 N 1.06 0.72 -0.53 6.23 0.00 -0.92 0.04 119.26 125.87 1tff h ALA 141 Ca 0.10 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1tff h ALA 141 Cb 0.02 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1tff h ALA 141 CO -0.02 -0.22 -0.04 0.35 0.00 0.00 0.00 179.25 179.32 1tff h PHE 142 N 0.36 1.06 0.18 0.00 3.57 -0.97 0.11 116.94 121.26 1tff h PHE 142 Ca 0.29 -0.20 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1tff h PHE 142 Cb 0.36 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1tff h PHE 142 CO -0.18 0.98 -0.26 0.82 -2.23 0.00 0.00 178.31 177.44 1tff h ILE 143 N 0.84 0.43 -0.74 1.41 2.04 -0.74 -2.60 117.51 118.15 1tff h ILE 143 Ca 0.15 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.98 1tff h ILE 143 Cb 0.58 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1tff h ILE 143 CO 0.03 0.00 0.35 0.03 0.00 0.00 0.00 178.15 178.57 1tff h ARG 144 N -0.51 1.07 0.00 2.37 3.08 -0.72 -1.68 114.38 117.99 1tff h ARG 144 Ca 0.01 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1tff h ARG 144 Cb 0.51 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1tff h ARG 144 CO -0.11 0.84 0.00 -0.91 -1.07 0.00 0.00 179.97 178.72 1tff h ASN 145 N 1.05 0.00 -0.82 7.04 2.35 -0.78 -2.96 115.58 121.46 1tff h ASN 145 Ca 0.26 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.45 1tff h ASN 145 Cb 0.12 0.00 -0.43 0.00 0.05 0.00 0.00 38.32 38.07 1tff h ASN 145 CO -0.03 0.00 -0.80 0.54 -1.65 0.00 0.00 177.43 175.49 1tff n ARG 146 N -2.43 3.60 0.27 0.81 1.74 -0.91 -4.85 116.66 114.89 1tff n ARG 146 Ca 0.03 -4.19 0.12 0.00 -0.77 0.00 0.00 57.85 53.04 1tff n ARG 146 Cb 0.30 -2.28 0.76 0.00 -1.02 0.00 0.00 32.46 30.22 1tff n ARG 146 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tff h ALA 147 N 2.21 1.41 0.00 7.54 0.00 -1.15 -1.64 119.26 127.63 1tff h ALA 147 Ca 0.37 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1tff h ALA 147 Cb 1.48 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1tff h ALA 147 CO 0.78 0.11 -0.40 0.38 0.00 0.00 0.00 179.25 180.12 1tff h ASP 148 N 0.00 0.00 0.00 0.00 3.04 -1.89 -0.87 116.42 116.70 1tff h ASP 148 Ca -0.00 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.74 1tff h ASP 148 Cb 0.23 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.51 1tff h ASP 148 CO 0.01 0.40 -0.29 0.15 -2.04 0.00 0.00 179.24 177.47 1tff h PHE 149 N 0.00 0.00 0.00 4.15 3.57 -1.71 -3.41 116.94 119.53 1tff h PHE 149 Ca -0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1tff h PHE 149 Cb 0.86 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 1tff h PHE 149 CO 0.00 0.89 -0.02 0.74 -2.23 0.00 0.00 178.31 177.68 1tff h PHE 150 N -1.00 0.00 0.00 0.41 0.04 -1.24 -2.65 116.94 112.50 1tff h PHE 150 Ca -0.07 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 1tff h PHE 150 Cb 0.88 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.03 1tff h PHE 150 CO 0.17 0.02 -0.01 0.07 -0.60 0.00 0.00 178.31 177.97 1tff h ARG 151 N 0.00 0.00 0.00 1.51 0.11 -1.39 -0.65 114.38 113.96 1tff h ARG 151 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1tff h ARG 151 Cb 0.78 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.86 1tff h ARG 151 CO 0.00 0.01 0.00 0.72 0.10 0.00 0.00 179.97 180.80 1tff n HIS 152 N -4.44 0.00 1.08 4.08 8.25 -1.00 -2.77 115.22 120.41 1tff n HIS 152 Ca -0.03 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.55 1tff n HIS 152 Cb 0.09 -0.47 0.14 0.00 1.12 0.00 0.00 29.99 30.88 1tff n HIS 152 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1tff n PHE 153 N -1.47 0.00 -4.55 4.41 3.72 -0.25 -4.93 117.46 114.38 1tff n PHE 153 Ca 0.01 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.14 1tff n PHE 153 Cb 0.05 -0.01 -0.08 0.00 -0.94 0.00 0.00 39.48 38.50 1tff n PHE 153 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1tff s ILE 154 N -2.17 0.72 0.36 4.37 -4.36 -1.12 -5.08 121.20 113.94 1tff s ILE 154 Ca 0.26 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.37 1tff s ILE 154 Cb 0.20 -2.34 -0.11 0.00 1.25 0.00 0.00 42.46 41.46 1tff s ILE 154 CO 0.39 0.00 1.47 -0.62 0.24 0.00 0.00 174.94 176.42 1tff s ASP 155 N -3.65 6.41 0.59 4.36 2.15 -1.26 -4.89 116.67 120.38 1tff s ASP 155 Ca 0.21 2.99 0.30 0.00 0.43 0.00 0.00 52.55 56.48 1tff s ASP 155 Cb 0.03 -2.66 1.83 0.00 -0.30 0.00 0.00 42.92 41.81 1tff s ASP 155 CO 0.13 -0.83 2.25 -0.33 -0.17 0.00 0.00 175.17 176.22 1tff h GLU 156 N 3.22 0.00 -2.96 4.34 3.07 -1.97 -3.43 114.58 116.84 1tff h GLU 156 Ca -0.50 0.00 -0.76 0.00 -0.50 0.00 0.00 59.36 57.60 1tff h GLU 156 Cb 1.24 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 28.99 1tff h GLU 156 CO 0.66 0.00 2.03 -1.91 -1.40 0.00 0.00 179.01 178.39 1tff n GLU 157 N -3.83 4.26 -3.64 2.33 0.00 -1.26 -5.08 120.64 113.42 1tff n GLU 157 Ca -0.03 -3.66 -0.20 0.00 0.00 0.00 0.00 57.16 53.27 1tff n GLU 157 Cb 0.09 -2.72 -0.16 0.00 0.00 0.00 0.00 31.44 28.64 1tff n GLU 157 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1tff s ASP 159 N 0.25 1.23 0.44 4.31 -1.08 -1.26 -5.23 116.67 115.33 1tff s ASP 159 Ca 0.45 0.02 0.26 0.00 -0.52 0.00 0.00 52.55 52.77 1tff s ASP 159 Cb 0.14 0.04 1.31 0.00 -1.46 0.00 0.00 42.92 42.95 1tff s ASP 159 CO -0.04 -0.27 1.73 -0.29 0.52 0.00 0.00 175.17 176.81 1tff h ILE 160 N 6.40 0.37 -0.41 4.11 6.09 -1.96 -0.67 117.51 131.44 1tff h ILE 160 Ca -0.13 -0.07 -0.08 0.00 -1.37 0.00 0.00 64.86 63.20 1tff h ILE 160 Cb 1.13 0.13 -0.02 0.00 0.47 0.00 0.00 36.82 38.53 1tff h ILE 160 CO 0.18 0.04 -0.10 0.11 -3.07 0.00 0.00 178.15 175.32 1tff h LYS 161 N 0.21 0.71 -0.30 2.19 1.57 -1.99 -1.40 116.57 117.58 1tff h LYS 161 Ca 0.67 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 59.15 1tff h LYS 161 Cb 2.04 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 34.28 1tff h LYS 161 CO -0.27 0.79 -0.10 -0.44 -0.57 0.00 0.00 179.45 178.87 1tff h ASP 162 N 0.65 0.59 -0.65 0.86 3.32 -1.57 -1.74 116.42 117.88 1tff h ASP 162 Ca 0.12 -0.38 0.10 0.00 0.02 0.00 0.00 57.03 56.89 1tff h ASP 162 Cb 0.55 -0.16 -0.08 0.00 0.22 0.00 0.00 39.33 39.86 1tff h ASP 162 CO 0.03 0.84 0.27 0.15 -1.72 0.00 0.00 179.24 178.81 1tff h PHE 163 N 0.34 0.47 -0.39 4.55 3.57 -1.07 -0.70 116.94 123.73 1tff h PHE 163 Ca 0.07 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1tff h PHE 163 Cb 0.59 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1tff h PHE 163 CO 0.05 0.13 -0.04 0.00 -2.23 0.00 0.00 178.31 176.22 1tff h THR 165 N 0.52 1.24 0.00 0.00 2.02 -1.04 -1.00 112.91 114.65 1tff h THR 165 Ca 0.10 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1tff h THR 165 Cb 0.54 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1tff h THR 165 CO 0.03 0.35 -1.80 1.41 0.37 0.00 0.00 175.52 175.89 1tff n HIS 166 N -4.22 0.00 -0.07 3.16 8.25 -0.29 -4.30 115.22 117.75 1tff n HIS 166 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1tff n HIS 166 Cb 0.29 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.00 1tff n HIS 166 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1tff n GLU 167 N -2.11 3.16 0.04 -0.41 -0.58 -0.20 -4.79 120.64 115.75 1tff n GLU 167 Ca -0.03 -0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 1tff n GLU 167 Cb 0.47 -0.60 0.00 0.00 -0.57 0.00 0.00 31.44 30.74 1tff n GLU 167 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1tff n VAL 168 N -0.50 0.87 -0.23 2.62 0.31 -1.10 -4.76 118.33 115.54 1tff n VAL 168 Ca 0.00 0.29 -0.08 0.00 -0.01 0.00 0.00 64.34 64.54 1tff n VAL 168 Cb 0.02 -1.55 0.03 0.00 -0.91 0.00 0.00 33.84 31.44 1tff n VAL 168 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1tff h GLU 169 N 0.00 1.01 0.00 5.55 5.08 -1.38 -3.45 114.58 121.38 1tff h GLU 169 Ca 0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1tff h GLU 169 Cb 0.28 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1tff h GLU 169 CO 0.00 0.89 0.00 -2.30 -1.00 0.00 0.00 179.01 176.60 1tff n PRO 170 N -4.34 1.62 -1.19 2.33 -0.02 -1.26 -4.80 135.00 127.33 1tff n PRO 170 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1tff n PRO 170 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.71 1tff n PRO 170 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tff n ALA 172 N -3.00 -0.34 -2.96 3.55 0.00 -1.26 -4.96 120.51 111.55 1tff n ALA 172 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1tff n ALA 172 Cb 0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 19.45 19.11 1tff n ALA 172 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1tff s THR 173 N -0.88 3.98 0.47 0.00 -4.23 -1.24 -4.85 115.64 108.90 1tff s THR 173 Ca 0.00 -0.32 -0.23 0.00 -1.18 0.00 0.00 61.69 59.96 1tff s THR 173 Cb 0.00 -2.76 -0.07 0.00 1.34 0.00 0.00 72.50 71.02 1tff s THR 173 CO 0.00 0.48 1.22 -1.83 -0.54 0.00 0.00 174.62 173.95 1tff s GLU 174 N 0.44 3.64 0.64 3.99 -1.05 -1.25 -4.72 118.70 120.39 1tff s GLU 174 Ca -0.03 1.90 -0.03 0.00 -0.15 0.00 0.00 54.97 56.67 1tff s GLU 174 Cb -0.14 -2.40 0.05 0.00 -0.44 0.00 0.00 34.13 31.20 1tff s GLU 174 CO 0.03 -0.69 0.91 0.00 0.95 0.00 0.00 175.26 176.45 1tff n ASP 176 N -2.66 0.00 0.22 0.00 2.03 -1.26 -5.02 116.55 109.87 1tff n ASP 176 Ca 0.08 -0.68 0.05 0.00 0.52 0.00 0.00 54.79 54.77 1tff n ASP 176 Cb 0.60 0.00 0.49 0.00 -0.72 0.00 0.00 41.12 41.49 1tff n ASP 176 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 1tff h HIS 177 N 0.68 0.00 -0.10 -0.67 2.07 -1.93 -1.78 115.15 113.42 1tff h HIS 177 Ca 0.00 -0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 1tff h HIS 177 Cb 0.00 -0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.98 1tff h HIS 177 CO 0.00 0.20 0.03 0.82 -3.07 0.00 0.00 177.93 175.91 1tff h ILE 178 N 0.00 1.17 -0.60 6.12 2.04 -1.98 -1.44 117.51 122.83 1tff h ILE 178 Ca -0.00 -0.51 -0.08 0.00 1.00 0.00 0.00 64.86 65.27 1tff h ILE 178 Cb 0.35 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1tff h ILE 178 CO 0.03 0.15 0.07 1.56 0.00 0.00 0.00 178.15 179.95 1tff h GLN 179 N -0.01 1.01 -0.38 2.37 7.50 -1.74 0.11 115.11 123.96 1tff h GLN 179 Ca 0.03 -0.28 -0.04 0.00 0.50 0.00 0.00 58.65 58.85 1tff h GLN 179 Cb 0.20 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 27.61 1tff h GLN 179 CO -0.00 0.96 0.07 0.82 -1.50 0.00 0.00 178.83 179.18 1tff h ILE 180 N 0.91 1.24 -0.04 2.54 2.04 -1.40 -0.60 117.51 122.20 1tff h ILE 180 Ca 0.18 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 1tff h ILE 180 Cb 0.46 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1tff h ILE 180 CO 0.02 0.29 0.02 0.74 0.00 0.00 0.00 178.15 179.21 1tff h THR 181 N 0.48 1.10 -0.60 -0.27 2.02 -1.10 -2.07 112.91 112.47 1tff h THR 181 Ca 0.12 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 67.05 1tff h THR 181 Cb 0.36 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 1tff h THR 181 CO 0.01 0.08 0.35 0.00 0.37 0.00 0.00 175.52 176.33 1tff h ALA 182 N 0.90 0.78 -0.12 6.16 0.00 -0.55 -1.40 119.26 125.03 1tff h ALA 182 Ca 0.01 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1tff h ALA 182 Cb 0.11 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1tff h ALA 182 CO -0.00 0.07 -0.51 1.25 0.00 0.00 0.00 179.25 180.07 1tff h LEU 183 N 0.69 0.66 -0.95 0.00 5.85 -1.07 0.33 115.31 120.81 1tff h LEU 183 Ca 0.25 -0.62 0.02 0.00 0.84 0.00 0.00 57.88 58.36 1tff h LEU 183 Cb 0.05 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 1tff h LEU 183 CO -0.12 1.17 0.63 0.77 -0.34 0.00 0.00 178.44 180.55 1tff h SER 184 N 0.19 1.07 0.03 1.25 4.64 -1.35 -1.67 113.55 117.72 1tff h SER 184 Ca -0.03 -0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.09 1tff h SER 184 Cb 1.14 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1tff h SER 184 CO 0.11 0.75 -0.65 1.56 -0.87 0.00 0.00 176.83 177.73 1tff h GLN 185 N 1.25 0.59 -0.42 4.77 4.20 -1.04 -0.81 115.11 123.65 1tff h GLN 185 Ca 0.36 -0.42 0.03 0.00 0.06 0.00 0.00 58.65 58.68 1tff h GLN 185 Cb -0.08 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1tff h GLN 185 CO -0.10 1.04 0.28 0.00 -0.67 0.00 0.00 178.83 179.38 1tff h ALA 186 N 0.85 1.83 -0.11 3.87 0.00 -0.13 -2.75 119.26 122.82 1tff h ALA 186 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1tff h ALA 186 Cb 1.22 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1tff h ALA 186 CO 0.12 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.78 1tff n LEU 187 N -4.48 2.25 -3.77 0.00 4.77 -0.70 -4.98 117.00 110.09 1tff n LEU 187 Ca 0.04 -1.28 -0.24 0.00 -0.03 0.00 0.00 56.01 54.50 1tff n LEU 187 Cb 0.15 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1tff n LEU 187 CO 0.35 0.48 -0.00 -1.20 -1.33 0.00 0.00 177.39 175.68 1tff n SER 188 N 0.63 -2.48 -4.69 -1.43 7.64 -0.49 -5.00 113.62 107.81 1tff n SER 188 Ca 0.08 -0.80 -0.38 0.00 1.01 0.00 0.00 58.87 58.78 1tff n SER 188 Cb 0.33 -4.02 -0.07 0.00 -1.01 0.00 0.00 64.21 59.44 1tff n SER 188 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1tff s ILE 189 N -3.54 5.18 -0.45 0.44 1.01 -0.43 -5.02 121.20 118.39 1tff s ILE 189 Ca 0.23 0.81 -0.25 0.00 0.00 0.00 0.00 60.65 61.45 1tff s ILE 189 Cb -0.12 -3.77 0.03 0.00 0.01 0.00 0.00 42.46 38.61 1tff s ILE 189 CO 0.82 0.26 0.87 0.00 0.00 0.00 0.00 174.94 176.89 1tff s ALA 190 N 1.15 3.27 -0.05 9.38 0.00 -1.26 -4.77 121.76 129.47 1tff s ALA 190 Ca 0.22 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.39 1tff s ALA 190 Cb -0.15 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.40 1tff s ALA 190 CO 0.09 -1.97 -0.23 -1.17 0.00 0.00 0.00 175.76 172.47 1tff s LEU 191 N 3.55 2.03 -0.14 0.00 2.96 -1.26 -1.04 118.68 124.78 1tff s LEU 191 Ca 0.34 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 1tff s LEU 191 Cb -0.11 -1.28 -0.00 0.00 0.50 0.00 0.00 46.19 45.30 1tff s LEU 191 CO 0.24 0.22 -0.17 -1.58 -1.32 0.00 0.00 176.35 173.75 1tff s GLN 192 N -0.13 3.19 -0.21 1.98 0.74 -0.40 -4.64 119.66 120.21 1tff s GLN 192 Ca -0.03 -0.77 -0.08 0.00 0.05 0.00 0.00 55.36 54.52 1tff s GLN 192 Cb -0.13 -2.56 -0.04 0.00 1.10 0.00 0.00 33.01 31.38 1tff s GLN 192 CO 0.03 0.06 0.08 0.08 -0.55 0.00 0.00 175.29 174.99 1tff s VAL 193 N 0.69 4.78 0.14 1.34 1.01 -1.26 -1.09 120.40 126.00 1tff s VAL 193 Ca -0.08 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1tff s VAL 193 Cb -0.16 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1tff s VAL 193 CO 0.02 0.42 0.27 -1.61 0.00 0.00 0.00 175.10 174.20 1tff s GLU 194 N 0.74 3.44 -0.11 2.72 0.41 0.11 -4.88 118.70 121.14 1tff s GLU 194 Ca 0.04 -0.57 0.01 0.00 -0.41 0.00 0.00 54.97 54.04 1tff s GLU 194 Cb -0.13 -2.98 0.02 0.00 -1.78 0.00 0.00 34.13 29.26 1tff s GLU 194 CO 0.02 0.53 -0.11 0.71 -0.49 0.00 0.00 175.26 175.92 1tff s TYR 195 N -1.71 1.68 0.12 1.61 2.02 -1.26 0.51 117.35 120.31 1tff s TYR 195 Ca 0.35 -0.80 -0.12 0.00 -0.37 0.00 0.00 57.07 56.12 1tff s TYR 195 Cb -0.11 -1.29 -0.10 0.00 -0.40 0.00 0.00 41.96 40.06 1tff s TYR 195 CO 0.28 -0.47 1.39 0.28 -1.57 0.00 0.00 175.55 175.46 1tff h VAL 196 N 6.06 1.28 0.00 0.71 2.07 -1.70 -3.48 116.25 121.19 1tff h VAL 196 Ca -0.32 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.47 1tff h VAL 196 Cb 1.15 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1tff h VAL 196 CO 0.46 0.56 0.00 -0.67 0.02 0.00 0.00 177.57 177.94 1tff n ASP 197 N -4.03 0.00 -3.71 0.57 -0.08 -1.26 -4.86 116.55 103.18 1tff n ASP 197 Ca -0.05 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.01 1tff n ASP 197 Cb 0.63 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.09 1tff n ASP 197 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1tff n HIS 205 N -0.51 -2.14 -2.22 -0.67 -0.00 -1.26 -5.14 115.22 103.28 1tff n HIS 205 Ca 0.00 0.83 -0.02 0.00 -0.00 0.00 0.00 57.72 58.53 1tff n HIS 205 Cb 0.00 -2.96 -0.02 0.00 -0.00 0.00 0.00 29.99 27.01 1tff n HIS 205 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1tff n HIS 206 N -2.66 -3.76 -2.82 1.57 8.25 -1.26 -4.91 115.22 109.63 1tff n HIS 206 Ca -0.27 2.22 -0.39 0.00 -0.26 0.00 0.00 57.72 59.02 1tff n HIS 206 Cb 0.66 -3.47 -0.06 0.00 1.12 0.00 0.00 29.99 28.24 1tff n HIS 206 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1tff s VAL 207 N -0.51 4.18 0.22 1.59 1.01 -1.26 -4.98 120.40 120.66 1tff s VAL 207 Ca -0.11 1.93 -0.30 0.00 0.00 0.00 0.00 61.98 63.50 1tff s VAL 207 Cb 0.01 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.08 1tff s VAL 207 CO 0.31 0.44 0.93 -0.36 0.00 0.00 0.00 175.10 176.42 1tff s PHE 208 N -1.25 3.97 0.67 5.22 0.40 -1.26 -5.06 117.98 120.66 1tff s PHE 208 Ca 0.41 1.89 -0.14 0.00 -0.60 0.00 0.00 56.93 58.49 1tff s PHE 208 Cb -0.24 -2.97 0.00 0.00 0.51 0.00 0.00 43.02 40.33 1tff s PHE 208 CO 0.29 0.45 1.09 -1.25 0.70 0.00 0.00 175.22 176.50 1tff s PRO 209 N -1.09 2.83 0.43 0.24 0.04 -1.26 -4.74 135.00 131.46 1tff s PRO 209 Ca 0.41 1.29 -0.26 0.00 0.04 0.00 0.00 61.00 62.48 1tff s PRO 209 Cb -0.26 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.24 1tff s PRO 209 CO 0.31 -1.21 1.39 -1.83 0.04 0.00 0.00 177.00 175.71 1tff s GLU 210 N -4.28 3.78 0.24 4.56 1.03 -1.26 -4.55 118.70 118.22 1tff s GLU 210 Ca 0.65 2.35 0.09 0.00 0.03 0.00 0.00 54.97 58.08 1tff s GLU 210 Cb -0.19 -2.70 -0.04 0.00 -0.80 0.00 0.00 34.13 30.41 1tff s GLU 210 CO 0.44 -0.71 0.03 0.00 -1.33 0.00 0.00 175.26 173.69 1tff s ALA 211 N -1.22 3.24 -0.06 -0.84 0.00 -1.26 -5.04 121.76 116.59 1tff s ALA 211 Ca 0.59 -1.54 -0.13 0.00 0.00 0.00 0.00 51.96 50.88 1tff s ALA 211 Cb -0.42 -0.92 -0.08 0.00 0.00 0.00 0.00 23.12 21.70 1tff s ALA 211 CO 0.54 0.32 0.53 0.00 0.00 0.00 0.00 175.76 177.15 1tff h ALA 212 N 2.02 -0.35 -2.08 0.00 0.00 -1.96 -3.41 119.26 113.49 1tff h ALA 212 Ca -0.46 -0.12 -0.57 0.00 0.00 0.00 0.00 54.91 53.77 1tff h ALA 212 Cb 1.24 0.13 -0.39 0.00 0.00 0.00 0.00 17.79 18.77 1tff h ALA 212 CO 0.60 -0.34 -1.08 0.25 0.00 0.00 0.00 179.25 178.68 1tff n THR 213 N -5.00 -0.76 -2.43 0.00 -2.24 -1.26 -5.12 114.28 97.48 1tff n THR 213 Ca -0.05 -3.91 -0.36 0.00 -2.27 0.00 0.00 64.05 57.45 1tff n THR 213 Cb 0.18 -1.90 -0.03 0.00 -2.10 0.00 0.00 70.33 66.48 1tff n THR 213 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1tff s PRO 214 N -0.96 3.88 0.19 -0.78 0.04 -1.26 -4.93 135.00 131.18 1tff s PRO 214 Ca 0.35 1.57 0.16 0.00 0.04 0.00 0.00 61.00 63.12 1tff s PRO 214 Cb 0.14 -2.35 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 1tff s PRO 214 CO -0.13 -0.40 1.18 0.66 0.04 0.00 0.00 177.00 178.36 1tff h SER 215 N 2.03 0.00 -3.50 6.66 4.64 -1.49 -3.46 113.55 118.44 1tff h SER 215 Ca -0.49 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.34 1tff h SER 215 Cb 1.23 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.99 1tff h SER 215 CO 0.60 0.50 -0.81 -0.69 -0.87 0.00 0.00 176.83 175.57 1tff s VAL 216 N -2.97 1.02 -0.12 0.95 1.01 -1.17 -4.83 120.40 114.29 1tff s VAL 216 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1tff s VAL 216 Cb 0.08 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1tff s VAL 216 CO 0.77 0.33 -0.13 -0.31 0.00 0.00 0.00 175.10 175.76 1tff s TYR 217 N 0.61 2.80 0.12 5.22 2.02 -1.26 -1.27 117.35 125.59 1tff s TYR 217 Ca -0.12 -0.60 0.09 0.00 -0.37 0.00 0.00 57.07 56.07 1tff s TYR 217 Cb -0.15 -1.82 -0.04 0.00 -0.40 0.00 0.00 41.96 39.55 1tff s TYR 217 CO 0.03 -0.17 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.12 1tff s LEU 218 N 0.25 2.62 -0.18 -1.29 1.43 -0.25 -0.74 118.68 120.53 1tff s LEU 218 Ca -0.09 -0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 52.39 1tff s LEU 218 Cb -0.15 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 1tff s LEU 218 CO 0.05 0.18 -0.07 -0.22 0.23 0.00 0.00 176.35 176.52 1tff s LEU 219 N -2.13 2.88 -0.17 1.79 2.96 0.30 0.08 118.68 124.39 1tff s LEU 219 Ca 0.17 -0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 53.68 1tff s LEU 219 Cb -0.10 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1tff s LEU 219 CO 0.09 0.08 0.06 -0.47 -1.32 0.00 0.00 176.35 174.79 1tff s TYR 220 N 0.89 3.26 -0.25 5.38 5.04 0.18 -1.38 117.35 130.48 1tff s TYR 220 Ca -0.02 0.10 -0.12 0.00 -2.44 0.00 0.00 57.07 54.60 1tff s TYR 220 Cb -0.15 -2.05 0.09 0.00 0.35 0.00 0.00 41.96 40.20 1tff s TYR 220 CO 0.01 0.21 0.58 0.21 -1.34 0.00 0.00 175.55 175.21 1tff s LYS 221 N 0.21 0.56 -1.42 4.97 2.20 -0.71 -1.63 119.74 123.92 1tff s LYS 221 Ca 0.04 1.16 -0.01 0.00 -0.36 0.00 0.00 55.97 56.80 1tff s LYS 221 Cb -0.12 0.30 0.01 0.00 -1.51 0.00 0.00 37.83 36.51 1tff s LYS 221 CO 0.00 -0.18 0.46 2.41 -0.36 0.00 0.00 175.35 177.68 1tff n THR 222 N 4.71 -2.97 -2.19 3.43 -1.04 -1.26 -1.76 114.28 113.20 1tff n THR 222 Ca -0.17 -0.46 -0.14 0.00 -2.04 0.00 0.00 64.05 61.23 1tff n THR 222 Cb 0.55 -2.64 -0.01 0.00 -1.82 0.00 0.00 70.33 66.41 1tff n THR 222 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1tff n SER 223 N -2.97 -4.35 -4.16 8.00 7.64 -1.26 -4.97 113.62 111.55 1tff n SER 223 Ca -0.28 0.02 -0.20 0.00 1.01 0.00 0.00 58.87 59.42 1tff n SER 223 Cb 0.67 -3.47 -0.13 0.00 -1.01 0.00 0.00 64.21 60.27 1tff n SER 223 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1tff s HIS 224 N -2.68 1.28 -0.14 1.43 5.04 -0.72 -4.98 115.29 114.52 1tff s HIS 224 Ca 0.00 -0.39 0.02 0.00 -1.54 0.00 0.00 55.06 53.14 1tff s HIS 224 Cb 0.00 -0.74 0.01 0.00 0.04 0.00 0.00 32.58 31.89 1tff s HIS 224 CO 0.00 0.05 -0.19 0.71 -2.34 0.00 0.00 174.74 172.98 1tff s TYR 225 N -1.01 2.42 0.48 3.88 2.02 -1.26 -1.73 117.35 122.16 1tff s TYR 225 Ca 0.01 -1.26 0.06 0.00 -0.37 0.00 0.00 57.07 55.52 1tff s TYR 225 Cb -0.09 -1.69 0.00 0.00 -0.40 0.00 0.00 41.96 39.78 1tff s TYR 225 CO 0.02 -0.61 0.34 -0.80 -1.57 0.00 0.00 175.55 172.93 1tff s ASN 226 N 1.02 4.68 -0.15 2.29 0.01 -0.48 -4.50 114.94 117.82 1tff s ASN 226 Ca -0.04 -1.09 -0.04 0.00 -0.71 0.00 0.00 52.86 50.98 1tff s ASN 226 Cb -0.15 -0.02 -0.03 0.00 0.41 0.00 0.00 41.25 41.46 1tff s ASN 226 CO -0.05 -0.87 0.00 -0.63 -1.51 0.00 0.00 177.10 174.05 1tff s ILE 227 N -2.66 4.29 0.17 0.60 1.01 0.37 -0.54 121.20 124.44 1tff s ILE 227 Ca 0.39 -0.22 0.06 0.00 0.00 0.00 0.00 60.65 60.87 1tff s ILE 227 Cb -0.01 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 1tff s ILE 227 CO 0.23 0.51 0.11 -0.76 0.00 0.00 0.00 174.94 175.03 1tff s LEU 228 N 0.05 3.71 -0.12 2.97 1.43 0.09 -0.63 118.68 126.17 1tff s LEU 228 Ca 0.02 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1tff s LEU 228 Cb -0.13 -2.32 0.02 0.00 0.03 0.00 0.00 46.19 43.79 1tff s LEU 228 CO 0.02 0.06 -0.12 -0.31 0.23 0.00 0.00 176.35 176.23 1tff s TYR 229 N -1.79 1.85 0.09 0.29 2.02 -1.04 -4.17 117.35 114.60 1tff s TYR 229 Ca 0.30 -0.93 -0.26 0.00 -0.37 0.00 0.00 57.07 55.82 1tff s TYR 229 Cb -0.10 -1.39 -0.06 0.00 -0.40 0.00 0.00 41.96 40.01 1tff s TYR 229 CO 0.23 -0.53 0.79 0.00 -1.57 0.00 0.00 175.55 174.46 1tff s ALA 230 N 1.34 3.38 -1.30 3.71 0.00 -1.26 -0.24 121.76 127.39 1tff s ALA 230 Ca -0.00 0.34 -0.05 0.00 0.00 0.00 0.00 51.96 52.24 1tff s ALA 230 Cb -0.14 -3.01 0.14 0.00 0.00 0.00 0.00 23.12 20.11 1tff s ALA 230 CO -0.06 0.13 2.31 0.00 0.00 0.00 0.00 175.76 178.13 1tff n ALA 231 N 2.41 6.65 -0.90 0.00 0.00 -0.89 -4.70 120.51 123.08 1tff n ALA 231 Ca -0.03 -4.14 -0.12 0.00 0.00 0.00 0.00 53.44 49.15 1tff n ALA 231 Cb 0.50 -2.75 -0.05 0.00 0.00 0.00 0.00 19.45 17.15 1tff n ALA 231 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1tff n ASP 232 N 1.76 5.77 -3.64 0.00 8.00 -1.26 -4.76 116.55 122.42 1tff n ASP 232 Ca 0.60 -2.72 -0.04 0.00 0.71 0.00 0.00 54.79 53.34 1tff n ASP 232 Cb 0.26 -1.21 -0.07 0.00 -0.02 0.00 0.00 41.12 40.08 1tff n ASP 232 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1tff s LYS 233 N -0.44 0.43 0.00 -1.24 1.02 -1.26 -5.24 119.74 113.01 1tff s LYS 233 Ca 0.36 0.72 0.00 0.00 0.02 0.00 0.00 55.97 57.07 1tff s LYS 233 Cb 0.21 0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.62 1tff s LYS 233 CO -0.04 -0.09 0.00 0.72 -0.92 0.00 0.00 175.35 175.02