#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mu9 s ASP 2 N 0.00 4.63 0.35 -1.84 1.11 -1.26 -4.95 116.67 114.71 3mu9 s ASP 2 Ca 0.00 -1.93 0.05 0.00 0.18 0.00 0.00 52.55 50.85 3mu9 s ASP 2 Cb 0.00 -1.56 0.71 0.00 1.07 0.00 0.00 42.92 43.14 3mu9 s ASP 2 CO 0.00 -0.34 1.94 -0.65 1.18 0.00 0.00 175.17 177.31 3mu9 h PRO 3 N 7.68 0.77 -6.40 8.23 0.11 -2.09 -3.41 132.00 136.90 3mu9 h PRO 3 Ca -0.08 -0.05 -0.55 0.00 0.11 0.00 0.00 66.00 65.44 3mu9 h PRO 3 Cb 1.03 -0.17 0.03 0.00 0.11 0.00 0.00 31.00 31.99 3mu9 h PRO 3 CO 0.50 0.51 1.16 -2.30 -0.21 0.00 0.00 178.00 177.66 3mu9 n PRO 4 N -4.49 2.72 -4.52 1.05 -0.02 -1.26 -5.01 135.00 123.46 3mu9 n PRO 4 Ca 0.12 0.99 -0.24 0.00 -2.02 0.00 0.00 63.50 62.35 3mu9 n PRO 4 Cb 0.25 -2.91 -0.10 0.00 -0.02 0.00 0.00 33.50 30.72 3mu9 n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mu9 s ALA 5 N 3.71 2.76 0.00 3.55 0.00 -1.26 -5.09 121.76 125.43 3mu9 s ALA 5 Ca 0.87 -1.88 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3mu9 s ALA 5 Cb -0.50 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.13 3mu9 s ALA 5 CO 0.42 -0.25 0.05 0.00 0.00 0.00 0.00 175.76 175.99 3mu9 n GLY 7 N -0.46 0.68 3.36 0.00 0.00 -1.26 -4.96 105.19 102.54 3mu9 n GLY 7 Ca 0.00 -0.81 -0.16 0.00 0.00 0.00 0.00 46.02 45.05 3mu9 n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3mu9 n SER 8 N 0.05 -3.24 -4.43 1.61 2.88 -1.26 -4.98 113.62 104.25 3mu9 n SER 8 Ca 0.00 -0.64 -0.32 0.00 -1.33 0.00 0.00 58.87 56.59 3mu9 n SER 8 Cb 0.00 -5.10 -0.14 0.00 -0.75 0.00 0.00 64.21 58.23 3mu9 n SER 8 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3mu9 s ILE 9 N -3.36 2.75 -0.26 2.46 1.01 -1.26 -4.48 121.20 118.05 3mu9 s ILE 9 Ca 0.12 -0.97 -0.29 0.00 0.00 0.00 0.00 60.65 59.51 3mu9 s ILE 9 Cb -0.02 -2.08 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 3mu9 s ILE 9 CO 0.72 0.50 1.39 -0.69 0.00 0.00 0.00 174.94 176.86 3mu9 s VAL 10 N -0.77 4.03 0.57 2.92 1.01 0.62 -4.90 120.40 123.87 3mu9 s VAL 10 Ca 0.12 1.17 -0.19 0.00 0.00 0.00 0.00 61.98 63.08 3mu9 s VAL 10 Cb -0.10 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 3mu9 s VAL 10 CO 0.02 -0.39 1.13 -2.16 0.00 0.00 0.00 175.10 173.70 3mu9 s PRO 11 N 4.23 3.24 0.37 2.72 0.04 -1.26 -1.14 135.00 143.20 3mu9 s PRO 11 Ca 0.60 1.57 0.10 0.00 0.04 0.00 0.00 61.00 63.32 3mu9 s PRO 11 Cb -0.20 -1.99 0.87 0.00 0.04 0.00 0.00 34.50 33.22 3mu9 s PRO 11 CO 0.24 -0.93 1.86 0.00 0.04 0.00 0.00 177.00 178.21 3mu9 h ARG 12 N 0.96 0.62 -0.67 4.56 3.08 -1.94 -0.66 114.38 120.33 3mu9 h ARG 12 Ca -0.49 -0.04 0.13 0.00 0.07 0.00 0.00 59.98 59.65 3mu9 h ARG 12 Cb 1.26 -0.14 -0.10 0.00 0.08 0.00 0.00 29.97 31.07 3mu9 h ARG 12 CO 0.56 0.41 0.16 0.00 -1.07 0.00 0.00 179.97 180.03 3mu9 h ARG 13 N 0.64 0.27 -0.45 0.04 2.47 -1.91 0.68 114.38 116.13 3mu9 h ARG 13 Ca 0.46 -0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 59.08 3mu9 h ARG 13 Cb 0.81 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.06 3mu9 h ARG 13 CO -0.21 0.18 -0.02 1.49 0.56 0.00 0.00 179.97 181.97 3mu9 h GLU 14 N 0.28 0.81 -0.47 0.04 4.81 -1.47 -2.46 114.58 116.12 3mu9 h GLU 14 Ca 0.36 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3mu9 h GLU 14 Cb 0.57 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3mu9 h GLU 14 CO -0.45 0.88 0.00 -2.67 -0.73 0.00 0.00 179.01 176.04 3mu9 n TRP 15 N -4.36 0.62 -3.39 0.92 4.27 -0.74 -4.93 117.44 109.83 3mu9 n TRP 15 Ca -0.00 -0.27 -0.18 0.00 -3.89 0.00 0.00 57.50 53.16 3mu9 n TRP 15 Cb 0.32 -0.07 0.04 0.00 -1.36 0.00 0.00 31.31 30.24 3mu9 n TRP 15 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 3mu9 n ARG 16 N 0.52 -1.63 -3.26 -2.67 1.74 0.08 -4.56 116.66 106.88 3mu9 n ARG 16 Ca 0.13 0.87 -0.33 0.00 -0.77 0.00 0.00 57.85 57.74 3mu9 n ARG 16 Cb 0.40 -4.97 -0.06 0.00 -1.02 0.00 0.00 32.46 26.82 3mu9 n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mu9 s ALA 17 N -3.29 3.45 0.38 7.54 0.00 -0.30 -4.91 121.76 124.63 3mu9 s ALA 17 Ca 0.32 -0.07 -0.26 0.00 0.00 0.00 0.00 51.96 51.95 3mu9 s ALA 17 Cb -0.08 -2.63 -0.09 0.00 0.00 0.00 0.00 23.12 20.33 3mu9 s ALA 17 CO 0.80 0.41 1.14 -0.51 0.00 0.00 0.00 175.76 177.60 3mu9 s LEU 18 N -2.67 4.24 0.19 0.00 1.43 -1.26 -4.86 118.68 115.76 3mu9 s LEU 18 Ca 0.48 2.30 -0.33 0.00 -1.03 0.00 0.00 54.13 55.55 3mu9 s LEU 18 Cb -0.12 -3.98 -0.14 0.00 0.03 0.00 0.00 46.19 41.98 3mu9 s LEU 18 CO 0.19 -0.56 1.48 0.00 0.23 0.00 0.00 176.35 177.69 3mu9 n ALA 19 N 0.23 1.12 -1.38 4.21 0.00 -1.26 -4.93 120.51 118.50 3mu9 n ALA 19 Ca 0.03 0.43 -0.32 0.00 0.00 0.00 0.00 53.44 53.59 3mu9 n ALA 19 Cb 0.47 -2.30 0.07 0.00 0.00 0.00 0.00 19.45 17.69 3mu9 n ALA 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3mu9 s SER 20 N 0.60 4.82 -0.02 0.00 0.15 -1.26 -4.93 113.70 113.05 3mu9 s SER 20 Ca 0.74 1.87 0.03 0.00 0.70 0.00 0.00 55.95 59.28 3mu9 s SER 20 Cb -0.68 -2.53 0.04 0.00 -1.71 0.00 0.00 66.02 61.14 3mu9 s SER 20 CO 0.44 -1.82 0.82 -0.62 1.20 0.00 0.00 173.24 173.26 3mu9 n GLU 21 N -3.07 1.00 -2.83 5.44 1.02 0.05 -5.03 120.64 117.24 3mu9 n GLU 21 Ca 0.09 -1.15 -0.38 0.00 -0.02 0.00 0.00 57.16 55.70 3mu9 n GLU 21 Cb 0.53 -0.77 -0.06 0.00 -0.02 0.00 0.00 31.44 31.11 3mu9 n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mu9 n ARG 23 N 0.91 1.67 -2.23 0.00 1.74 -1.26 -5.05 116.66 112.44 3mu9 n ARG 23 Ca -0.00 -0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.65 3mu9 n ARG 23 Cb 0.49 -0.17 -0.03 0.00 -1.02 0.00 0.00 32.46 31.73 3mu9 n ARG 23 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3mu9 s GLU 24 N -0.24 4.34 0.24 5.56 2.02 -1.26 -4.97 118.70 124.39 3mu9 s GLU 24 Ca 0.00 2.00 0.06 0.00 0.02 0.00 0.00 54.97 57.06 3mu9 s GLU 24 Cb 0.00 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.90 3mu9 s GLU 24 CO 0.00 -0.41 0.23 1.03 0.02 0.00 0.00 175.26 176.13 3mu9 s ARG 25 N 1.20 3.03 0.38 1.61 0.52 -1.26 -0.74 118.95 123.68 3mu9 s ARG 25 Ca 0.63 -0.98 0.03 0.00 -0.52 0.00 0.00 55.73 54.89 3mu9 s ARG 25 Cb -0.35 -2.64 -0.01 0.00 0.52 0.00 0.00 34.95 32.48 3mu9 s ARG 25 CO 0.30 0.41 0.56 -0.51 0.02 0.00 0.00 175.30 176.08 3mu9 s LEU 26 N -3.83 3.87 -0.30 2.53 1.43 -0.22 -4.53 118.68 117.63 3mu9 s LEU 26 Ca 0.33 0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 53.50 3mu9 s LEU 26 Cb -0.08 -3.01 0.03 0.00 0.03 0.00 0.00 46.19 43.16 3mu9 s LEU 26 CO 0.26 -0.50 0.05 -0.89 0.23 0.00 0.00 176.35 175.49 3mu9 s THR 27 N -2.34 3.53 0.34 5.49 2.01 -1.26 -4.88 115.64 118.52 3mu9 s THR 27 Ca 0.45 -1.01 -0.18 0.00 0.31 0.00 0.00 61.69 61.26 3mu9 s THR 27 Cb -0.10 -2.91 -0.09 0.00 0.01 0.00 0.00 72.50 69.41 3mu9 s THR 27 CO 0.34 -0.01 0.80 0.00 -0.69 0.00 0.00 174.62 175.07 3mu9 s ARG 28 N 1.39 4.13 0.16 4.92 1.70 -1.26 -3.61 118.95 126.39 3mu9 s ARG 28 Ca -0.01 0.85 -0.30 0.00 -0.47 0.00 0.00 55.73 55.81 3mu9 s ARG 28 Cb -0.18 -2.45 -0.07 0.00 -0.57 0.00 0.00 34.95 31.68 3mu9 s ARG 28 CO 0.01 0.15 1.00 -1.25 -1.08 0.00 0.00 175.30 174.12 3mu9 s PRO 29 N -2.84 4.71 0.14 3.89 0.04 -1.25 -5.07 135.00 134.61 3mu9 s PRO 29 Ca 0.54 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.82 3mu9 s PRO 29 Cb -0.11 -3.32 -0.07 0.00 0.04 0.00 0.00 34.50 31.04 3mu9 s PRO 29 CO 0.17 0.25 1.03 0.08 0.04 0.00 0.00 177.00 178.57 3mu9 s VAL 30 N -0.36 4.21 -0.04 -0.36 1.01 -0.06 -4.54 120.40 120.27 3mu9 s VAL 30 Ca 0.46 1.86 0.13 0.00 0.00 0.00 0.00 61.98 64.42 3mu9 s VAL 30 Cb -0.26 -4.19 -0.18 0.00 0.00 0.00 0.00 36.38 31.76 3mu9 s VAL 30 CO 0.32 0.30 0.90 -0.09 0.00 0.00 0.00 175.10 176.52 3mu9 h ARG 31 N 5.41 0.00 -6.61 2.72 2.43 -1.89 0.16 114.38 116.60 3mu9 h ARG 31 Ca -0.43 0.00 -0.66 0.00 -0.81 0.00 0.00 59.98 58.08 3mu9 h ARG 31 Cb 1.21 0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 30.58 3mu9 h ARG 31 CO 0.72 0.55 -0.82 0.71 -1.51 0.00 0.00 179.97 179.63 3mu9 s TYR 32 N -2.73 2.31 -0.08 2.20 1.51 -1.21 -0.27 117.35 119.08 3mu9 s TYR 32 Ca -0.02 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.68 3mu9 s TYR 32 Cb 0.09 -1.15 0.02 0.00 -0.11 0.00 0.00 41.96 40.81 3mu9 s TYR 32 CO 0.81 0.50 -0.05 0.08 -1.11 0.00 0.00 175.55 175.78 3mu9 s VAL 33 N -1.67 0.70 -0.20 0.71 1.01 -0.29 -0.70 120.40 119.97 3mu9 s VAL 33 Ca 0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 3mu9 s VAL 33 Cb -0.08 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 3mu9 s VAL 33 CO 0.10 0.29 -0.03 -0.69 0.00 0.00 0.00 175.10 174.77 3mu9 s VAL 34 N 1.44 3.59 -0.26 2.92 1.01 0.05 -0.67 120.40 128.48 3mu9 s VAL 34 Ca -0.02 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.40 3mu9 s VAL 34 Cb -0.13 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 3mu9 s VAL 34 CO -0.04 0.43 0.29 -0.69 0.00 0.00 0.00 175.10 175.10 3mu9 s VAL 35 N 1.15 5.25 0.49 2.92 1.01 -0.65 -1.90 120.40 128.67 3mu9 s VAL 35 Ca 0.02 0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.43 3mu9 s VAL 35 Cb -0.15 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 3mu9 s VAL 35 CO -0.00 0.23 0.01 -0.94 0.00 0.00 0.00 175.10 174.40 3mu9 s SER 36 N 1.51 4.09 0.22 3.32 1.04 -0.45 -1.29 113.70 122.14 3mu9 s SER 36 Ca 0.12 -1.60 0.11 0.00 0.48 0.00 0.00 55.95 55.07 3mu9 s SER 36 Cb -0.15 0.35 -0.05 0.00 0.10 0.00 0.00 66.02 66.27 3mu9 s SER 36 CO 0.09 -0.78 -0.22 -1.38 0.98 0.00 0.00 173.24 171.93 3mu9 s HIS 37 N -2.84 2.26 -0.75 5.02 -3.43 -1.26 -1.52 115.29 112.77 3mu9 s HIS 37 Ca 0.12 -0.36 0.25 0.00 -0.80 0.00 0.00 55.06 54.26 3mu9 s HIS 37 Cb 0.03 -1.08 0.92 0.00 -1.43 0.00 0.00 32.58 31.02 3mu9 s HIS 37 CO 0.06 0.56 1.75 0.25 -2.00 0.00 0.00 174.74 175.35 3mu9 n THR 38 N -0.01 0.59 -0.68 -5.38 -2.24 -0.37 -4.83 114.28 101.37 3mu9 n THR 38 Ca -0.10 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3mu9 n THR 38 Cb 0.57 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 3mu9 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mu9 n ALA 39 N -1.69 0.00 -2.23 6.98 0.00 0.32 -4.88 120.51 119.01 3mu9 n ALA 39 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3mu9 n ALA 39 Cb 0.32 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.48 3mu9 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mu9 n GLY 40 N -2.00 2.49 3.88 0.00 0.00 -1.22 -4.50 105.19 103.84 3mu9 n GLY 40 Ca 0.00 -1.55 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 3mu9 n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mu9 s SER 41 N -0.54 6.15 0.17 1.61 1.04 -1.26 -1.88 113.70 118.99 3mu9 s SER 41 Ca 0.00 1.25 0.03 0.00 0.48 0.00 0.00 55.95 57.71 3mu9 s SER 41 Cb 0.00 -2.34 0.03 0.00 0.10 0.00 0.00 66.02 63.81 3mu9 s SER 41 CO 0.00 -0.85 0.22 0.00 0.98 0.00 0.00 173.24 173.60 3mu9 n HIS 42 N -2.65 -2.60 -3.60 5.02 -0.00 -1.25 -3.28 115.22 106.86 3mu9 n HIS 42 Ca 0.05 -0.63 -0.03 0.00 -0.00 0.00 0.00 57.72 57.11 3mu9 n HIS 42 Cb 0.55 -0.16 -0.05 0.00 -0.00 0.00 0.00 29.99 30.32 3mu9 n HIS 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3mu9 n ASP 44 N 4.74 2.25 -3.73 0.00 5.75 -1.26 -2.57 116.55 121.72 3mu9 n ASP 44 Ca -0.15 -3.50 -0.13 0.00 -0.01 0.00 0.00 54.79 51.00 3mu9 n ASP 44 Cb 0.54 -0.51 -0.10 0.00 -1.03 0.00 0.00 41.12 40.02 3mu9 n ASP 44 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3mu9 s THR 45 N -3.07 0.00 0.48 2.12 -4.23 -1.26 -4.49 115.64 105.19 3mu9 s THR 45 Ca 0.37 -0.01 0.31 0.00 -1.18 0.00 0.00 61.69 61.17 3mu9 s THR 45 Cb 0.34 -0.59 0.50 0.00 1.34 0.00 0.00 72.50 74.09 3mu9 s THR 45 CO -0.01 -0.01 1.76 -0.65 -0.54 0.00 0.00 174.62 175.17 3mu9 h PRO 46 N 5.42 0.14 0.09 3.99 0.11 -1.93 0.81 132.00 140.63 3mu9 h PRO 46 Ca -0.27 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 3mu9 h PRO 46 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3mu9 h PRO 46 CO 0.25 0.09 -0.04 0.00 -0.21 0.00 0.00 178.00 178.08 3mu9 h ALA 47 N 1.48 -0.12 -0.29 -0.75 0.00 -1.99 -2.76 119.26 114.83 3mu9 h ALA 47 Ca 0.63 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 3mu9 h ALA 47 Cb 2.15 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.97 3mu9 h ALA 47 CO -0.16 -0.37 0.07 0.66 0.00 0.00 0.00 179.25 179.46 3mu9 h SER 48 N -0.51 0.43 0.76 0.00 4.64 0.02 -3.20 113.55 115.69 3mu9 h SER 48 Ca -0.01 -0.22 -0.08 0.00 -0.47 0.00 0.00 61.79 61.01 3mu9 h SER 48 Cb 0.43 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 3mu9 h SER 48 CO 0.02 0.54 -0.36 0.00 -0.87 0.00 0.00 176.83 176.16 3mu9 h ALA 50 N 1.64 0.83 -0.13 0.00 0.00 -1.48 -3.09 119.26 117.03 3mu9 h ALA 50 Ca -0.00 -0.60 -0.23 0.00 0.00 0.00 0.00 54.91 54.08 3mu9 h ALA 50 Cb 0.84 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.53 3mu9 h ALA 50 CO 0.05 0.82 -0.83 0.37 0.00 0.00 0.00 179.25 179.66 3mu9 h GLN 51 N 0.00 0.79 -0.12 0.00 5.75 -1.28 -3.09 115.11 117.17 3mu9 h GLN 51 Ca -0.01 -0.68 0.01 0.00 -0.15 0.00 0.00 58.65 57.83 3mu9 h GLN 51 Cb 1.22 0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.90 3mu9 h GLN 51 CO 0.09 1.27 -0.14 0.37 -2.65 0.00 0.00 178.83 177.77 3mu9 h GLN 52 N 0.52 -0.08 -0.98 1.69 5.75 -1.54 -0.26 115.11 120.22 3mu9 h GLN 52 Ca -0.07 0.01 0.32 0.00 -0.15 0.00 0.00 58.65 58.76 3mu9 h GLN 52 Cb 1.46 0.02 -0.17 0.00 1.07 0.00 0.00 27.48 29.86 3mu9 h GLN 52 CO 0.17 -0.05 0.28 0.00 -2.65 0.00 0.00 178.83 176.57 3mu9 h ALA 53 N -0.94 1.59 -0.67 3.38 0.00 -1.59 5.43 119.26 126.45 3mu9 h ALA 53 Ca 0.02 0.29 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 3mu9 h ALA 53 Cb 0.14 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3mu9 h ALA 53 CO -0.16 -0.69 0.14 0.37 0.00 0.00 0.00 179.25 178.91 3mu9 h GLN 54 N 0.06 1.09 -0.43 0.00 4.15 -1.28 -1.19 115.11 117.51 3mu9 h GLN 54 Ca 0.69 -0.28 -0.15 0.00 0.77 0.00 0.00 58.65 59.68 3mu9 h GLN 54 Cb 1.59 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 29.14 3mu9 h GLN 54 CO -0.81 0.99 -0.31 -0.91 -1.93 0.00 0.00 178.83 175.86 3mu9 h ASN 55 N 1.01 1.01 -0.28 -0.69 2.35 1.23 -0.77 115.58 119.44 3mu9 h ASN 55 Ca 0.21 -0.43 -0.03 0.00 -0.55 0.00 0.00 56.30 55.49 3mu9 h ASN 55 Cb 0.40 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3mu9 h ASN 55 CO 0.01 1.23 0.05 0.58 -1.65 0.00 0.00 177.43 177.64 3mu9 h VAL 56 N 0.79 1.23 -0.97 2.81 2.07 0.64 -2.11 116.25 120.72 3mu9 h VAL 56 Ca 0.08 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.85 3mu9 h VAL 56 Cb 0.90 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 3mu9 h VAL 56 CO 0.08 0.26 0.63 -0.61 0.02 0.00 0.00 177.57 177.95 3mu9 h GLN 57 N 0.28 1.20 -0.37 1.57 4.15 -1.15 -2.39 115.11 118.41 3mu9 h GLN 57 Ca 0.09 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.45 3mu9 h GLN 57 Cb 0.34 -0.27 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 3mu9 h GLN 57 CO 0.01 0.79 0.21 1.03 -1.93 0.00 0.00 178.83 178.94 3mu9 h SER 58 N 1.24 0.34 0.01 -0.69 0.87 -0.85 0.36 113.55 114.82 3mu9 h SER 58 Ca 0.38 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.97 3mu9 h SER 58 Cb -0.02 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 3mu9 h SER 58 CO -0.12 0.25 -0.14 0.22 -0.53 0.00 0.00 176.83 176.51 3mu9 h TYR 59 N 0.43 -0.36 -0.53 2.24 3.20 -1.12 0.18 116.97 121.02 3mu9 h TYR 59 Ca 0.15 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.95 3mu9 h TYR 59 Cb 0.01 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3mu9 h TYR 59 CO -0.08 -0.21 0.04 0.45 -1.64 0.00 0.00 178.16 176.72 3mu9 h HIS 60 N -0.24 0.98 0.00 -3.82 3.86 -1.08 -1.08 115.15 113.78 3mu9 h HIS 60 Ca 0.05 -0.16 -0.06 0.00 -1.16 0.00 0.00 60.37 59.04 3mu9 h HIS 60 Cb 0.30 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 3mu9 h HIS 60 CO -0.19 0.89 -0.39 0.28 0.86 0.00 0.00 177.93 179.38 3mu9 h VAL 61 N 0.78 0.93 0.09 2.45 2.07 -0.92 -1.12 116.25 120.53 3mu9 h VAL 61 Ca 0.15 -1.82 -0.27 0.00 0.82 0.00 0.00 66.70 65.58 3mu9 h VAL 61 Cb 0.48 1.88 0.02 0.00 -1.52 0.00 0.00 31.29 32.14 3mu9 h VAL 61 CO 0.02 0.32 -1.16 -0.09 0.02 0.00 0.00 177.57 176.68 3mu9 h ARG 62 N -1.00 0.48 0.00 1.57 1.12 -0.75 -2.72 114.38 113.08 3mu9 h ARG 62 Ca -0.09 -0.63 -0.34 0.00 -1.11 0.00 0.00 59.98 57.81 3mu9 h ARG 62 Cb 0.79 0.21 -0.05 0.00 -0.01 0.00 0.00 29.97 30.91 3mu9 h ARG 62 CO -0.05 1.26 -1.84 0.09 -3.11 0.00 0.00 179.97 176.32 3mu9 n ASN 63 N -3.71 1.90 0.00 -3.80 4.13 -0.51 -4.36 115.26 108.91 3mu9 n ASN 63 Ca -0.10 0.39 0.13 0.00 1.68 0.00 0.00 54.58 56.67 3mu9 n ASN 63 Cb 0.95 -0.90 0.65 0.00 -1.54 0.00 0.00 39.78 38.94 3mu9 n ASN 63 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3mu9 n LEU 64 N -4.35 0.00 -0.98 3.41 4.77 -0.62 -4.91 117.00 114.32 3mu9 n LEU 64 Ca -0.42 0.30 -0.12 0.00 -0.03 0.00 0.00 56.01 55.74 3mu9 n LEU 64 Cb 0.77 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 3mu9 n LEU 64 CO 0.12 -0.04 -0.12 0.61 -1.33 0.00 0.00 177.39 176.63 3mu9 n GLY 65 N 0.93 1.03 3.86 -0.72 0.00 -1.00 -4.95 105.19 104.34 3mu9 n GLY 65 Ca 0.12 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 3mu9 n GLY 65 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3mu9 s TRP 66 N -2.46 3.55 -0.08 1.61 0.52 -0.46 -4.96 118.94 116.66 3mu9 s TRP 66 Ca 0.00 1.35 0.30 0.00 0.02 0.00 0.00 56.10 57.77 3mu9 s TRP 66 Cb 0.00 -2.73 1.29 0.00 -1.15 0.00 0.00 33.47 30.88 3mu9 s TRP 66 CO 0.00 -0.52 1.90 0.00 0.02 0.00 0.00 176.95 178.35 3mu9 s ASP 68 N -5.09 -0.04 0.40 0.00 2.15 -1.26 -0.77 116.67 112.07 3mu9 s ASP 68 Ca 0.02 -0.17 -0.25 0.00 0.43 0.00 0.00 52.55 52.58 3mu9 s ASP 68 Cb 0.09 0.17 -0.11 0.00 -0.30 0.00 0.00 42.92 42.77 3mu9 s ASP 68 CO 0.47 -0.32 1.03 0.55 -0.17 0.00 0.00 175.17 176.74 3mu9 n VAL 69 N -0.62 2.38 0.16 1.11 3.14 -1.26 -4.64 118.33 118.61 3mu9 n VAL 69 Ca -0.05 -0.50 0.01 0.00 -2.96 0.00 0.00 64.34 60.84 3mu9 n VAL 69 Cb 0.62 -1.18 0.31 0.00 -1.06 0.00 0.00 33.84 32.52 3mu9 n VAL 69 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3mu9 h GLY 70 N 1.65 0.05 -2.18 7.55 0.00 -1.92 -3.41 103.07 104.81 3mu9 h GLY 70 Ca -0.44 -0.05 -0.46 0.00 0.00 0.00 0.00 47.33 46.38 3mu9 h GLY 70 CO 0.58 0.04 0.29 -0.19 0.00 0.00 0.00 176.54 177.26 3mu9 s TYR 71 N -4.12 3.36 0.11 5.60 1.51 -1.26 -0.54 117.35 122.01 3mu9 s TYR 71 Ca -0.03 1.48 -0.06 0.00 -1.01 0.00 0.00 57.07 57.45 3mu9 s TYR 71 Cb 0.14 -2.76 -0.15 0.00 -0.11 0.00 0.00 41.96 39.08 3mu9 s TYR 71 CO 0.74 -0.12 1.25 -0.91 -1.11 0.00 0.00 175.55 175.40 3mu9 h ASN 72 N 1.75 0.56 -5.04 2.29 4.21 -1.46 -1.21 115.58 116.68 3mu9 h ASN 72 Ca -0.48 -0.48 -0.11 0.00 1.21 0.00 0.00 56.30 56.44 3mu9 h ASN 72 Cb 1.18 -0.17 -0.18 0.00 -1.12 0.00 0.00 38.32 38.03 3mu9 h ASN 72 CO 0.62 1.30 -0.35 -0.36 -1.29 0.00 0.00 177.43 177.35 3mu9 s PHE 73 N -3.13 -0.03 0.04 1.19 0.40 -1.06 -0.59 117.98 114.80 3mu9 s PHE 73 Ca -0.06 -0.10 0.08 0.00 -0.60 0.00 0.00 56.93 56.25 3mu9 s PHE 73 Cb 0.08 0.02 -0.03 0.00 0.51 0.00 0.00 43.02 43.61 3mu9 s PHE 73 CO 0.88 -0.42 -0.21 -0.51 0.70 0.00 0.00 175.22 175.65 3mu9 s LEU 74 N -1.86 2.17 -0.23 -0.37 1.02 -0.45 -1.65 118.68 117.30 3mu9 s LEU 74 Ca -0.08 -0.53 -0.05 0.00 0.02 0.00 0.00 54.13 53.49 3mu9 s LEU 74 Cb -0.03 -1.01 -0.01 0.00 0.02 0.00 0.00 46.19 45.16 3mu9 s LEU 74 CO -0.02 0.17 -0.02 -0.63 0.02 0.00 0.00 176.35 175.88 3mu9 s ILE 75 N -0.80 3.57 0.11 -0.59 -1.09 0.50 0.13 121.20 123.03 3mu9 s ILE 75 Ca 0.08 -0.45 -0.03 0.00 -2.23 0.00 0.00 60.65 58.02 3mu9 s ILE 75 Cb -0.09 -2.65 -0.05 0.00 -1.58 0.00 0.00 42.46 38.09 3mu9 s ILE 75 CO 0.02 0.38 0.31 -0.83 -1.23 0.00 0.00 174.94 173.59 3mu9 s GLY 76 N 1.50 2.20 0.00 6.18 0.00 -0.30 -1.09 107.32 115.82 3mu9 s GLY 76 Ca 0.06 -0.68 0.12 0.00 0.00 0.00 0.00 44.72 44.21 3mu9 s GLY 76 CO -0.02 -0.63 1.26 1.18 0.00 0.00 0.00 173.10 174.89 3mu9 n GLU 77 N 0.14 0.23 -0.01 2.90 1.02 -1.06 -1.38 120.64 122.47 3mu9 n GLU 77 Ca -0.03 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 3mu9 n GLU 77 Cb 0.51 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.44 3mu9 n GLU 77 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3mu9 n ASP 78 N -1.21 0.14 -0.01 1.62 5.68 -1.18 -4.64 116.55 116.94 3mu9 n ASP 78 Ca 0.07 -2.00 -0.00 0.00 -0.50 0.00 0.00 54.79 52.35 3mu9 n ASP 78 Cb 0.08 -0.02 -0.00 0.00 -1.14 0.00 0.00 41.12 40.04 3mu9 n ASP 78 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mu9 n GLY 79 N 0.52 0.35 3.67 6.12 0.00 -0.48 -4.84 105.19 110.52 3mu9 n GLY 79 Ca 0.01 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 3mu9 n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mu9 s LEU 80 N -0.04 3.36 -0.16 0.99 1.43 -1.20 -4.62 118.68 118.44 3mu9 s LEU 80 Ca 0.00 -0.29 -0.08 0.00 -1.03 0.00 0.00 54.13 52.73 3mu9 s LEU 80 Cb 0.00 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 3mu9 s LEU 80 CO 0.00 0.14 0.11 -0.69 0.23 0.00 0.00 176.35 176.14 3mu9 s VAL 81 N -1.48 5.23 -0.16 -1.59 1.01 -1.26 -1.15 120.40 121.00 3mu9 s VAL 81 Ca 0.26 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.31 3mu9 s VAL 81 Cb -0.11 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 3mu9 s VAL 81 CO 0.18 0.52 -0.01 -0.31 0.00 0.00 0.00 175.10 175.48 3mu9 s TYR 82 N -0.24 3.09 0.03 5.22 2.02 0.12 -0.28 117.35 127.31 3mu9 s TYR 82 Ca 0.10 -0.18 -0.30 0.00 -0.37 0.00 0.00 57.07 56.32 3mu9 s TYR 82 Cb -0.12 -1.98 -0.06 0.00 -0.40 0.00 0.00 41.96 39.40 3mu9 s TYR 82 CO 0.01 0.04 1.44 -2.00 -1.57 0.00 0.00 175.55 173.47 3mu9 s GLU 83 N 0.30 4.27 0.00 -0.62 2.12 -0.29 -1.35 118.70 123.13 3mu9 s GLU 83 Ca -0.02 2.04 0.00 0.00 0.36 0.00 0.00 54.97 57.36 3mu9 s GLU 83 Cb -0.14 -3.54 0.00 0.00 0.26 0.00 0.00 34.13 30.71 3mu9 s GLU 83 CO 0.02 -0.59 0.00 0.41 -0.54 0.00 0.00 175.26 174.56 3mu9 n GLY 84 N 3.69 1.11 0.08 -1.50 0.00 0.24 -4.48 105.19 104.33 3mu9 n GLY 84 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 3mu9 n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mu9 n ARG 85 N 0.00 0.15 0.00 1.61 1.74 -0.46 -4.91 116.66 114.79 3mu9 n ARG 85 Ca 0.00 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 3mu9 n ARG 85 Cb 0.00 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 3mu9 n ARG 85 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mu9 n GLY 86 N 0.37 -2.09 0.18 -0.13 0.00 -0.32 -3.83 105.19 99.37 3mu9 n GLY 86 Ca 0.03 -1.48 0.04 0.00 0.00 0.00 0.00 46.02 44.62 3mu9 n GLY 86 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3mu9 h TRP 87 N 0.00 0.00 -0.01 1.61 4.06 -1.94 -3.35 115.95 116.31 3mu9 h TRP 87 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3mu9 h TRP 87 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3mu9 h TRP 87 CO 0.00 0.42 -0.35 0.09 -3.56 0.00 0.00 178.44 175.04 3mu9 n ASN 88 N -3.62 1.77 -4.33 -3.49 3.02 -1.26 -4.82 115.26 102.52 3mu9 n ASN 88 Ca -0.01 -1.38 -0.32 0.00 -0.03 0.00 0.00 54.58 52.84 3mu9 n ASN 88 Cb 0.52 0.45 -0.15 0.00 -0.61 0.00 0.00 39.78 39.98 3mu9 n ASN 88 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3mu9 s ILE 89 N -2.00 2.55 0.11 2.41 -1.09 -1.25 -1.05 121.20 120.88 3mu9 s ILE 89 Ca 0.15 -0.87 -0.31 0.00 -2.23 0.00 0.00 60.65 57.39 3mu9 s ILE 89 Cb 0.14 -2.00 -0.10 0.00 -1.58 0.00 0.00 42.46 38.93 3mu9 s ILE 89 CO 0.43 0.56 1.75 -0.75 -1.23 0.00 0.00 174.94 175.70 3mu9 s LYS 90 N -0.06 4.16 0.63 2.79 2.20 0.08 -4.72 119.74 124.82 3mu9 s LYS 90 Ca -0.05 2.49 -0.05 0.00 -0.36 0.00 0.00 55.97 58.00 3mu9 s LYS 90 Cb -0.14 -3.56 0.13 0.00 -1.51 0.00 0.00 37.83 32.75 3mu9 s LYS 90 CO 0.04 -0.79 0.86 0.41 -0.36 0.00 0.00 175.35 175.52 3mu9 n GLY 91 N 4.11 -0.11 2.49 5.54 0.00 -1.26 -4.90 105.19 111.07 3mu9 n GLY 91 Ca 0.17 -1.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 3mu9 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mu9 s ALA 92 N -3.42 1.63 0.00 4.61 0.00 0.29 -4.75 121.76 120.12 3mu9 s ALA 92 Ca 0.53 -2.49 0.00 0.00 0.00 0.00 0.00 51.96 50.01 3mu9 s ALA 92 Cb -0.02 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.41 3mu9 s ALA 92 CO 0.36 -2.02 0.00 -2.39 0.00 0.00 0.00 175.76 171.71 3mu9 n HIS 93 N 3.08 0.00 -2.19 0.00 1.44 -1.26 -4.38 115.22 111.91 3mu9 n HIS 93 Ca 0.23 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.96 3mu9 n HIS 93 Cb 0.43 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.55 3mu9 n HIS 93 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3mu9 n ALA 94 N 0.00 2.16 -0.23 1.59 0.00 -1.26 -5.04 120.51 117.73 3mu9 n ALA 94 Ca 0.00 -1.57 0.03 0.00 0.00 0.00 0.00 53.44 51.90 3mu9 n ALA 94 Cb 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 3mu9 n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mu9 n GLY 95 N 0.17 -1.46 0.45 0.00 0.00 -1.26 -4.16 105.19 98.94 3mu9 n GLY 95 Ca 0.03 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.43 3mu9 n GLY 95 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3mu9 h PRO 96 N -0.21 -0.47 -0.01 1.61 0.11 -2.00 0.08 132.00 131.11 3mu9 h PRO 96 Ca 0.00 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3mu9 h PRO 96 Cb 0.21 0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 3mu9 h PRO 96 CO 0.00 -0.32 0.01 1.15 -0.21 0.00 0.00 178.00 178.63 3mu9 h THR 97 N -0.49 1.01 0.10 -1.15 2.02 -2.01 -3.34 112.91 109.06 3mu9 h THR 97 Ca 0.06 -0.04 -0.29 0.00 0.77 0.00 0.00 66.41 66.91 3mu9 h THR 97 Cb 0.64 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 3mu9 h THR 97 CO -0.50 0.01 -1.42 -0.50 0.37 0.00 0.00 175.52 173.48 3mu9 h TRP 98 N 0.00 0.40 -0.44 3.16 4.06 -1.67 -3.38 115.95 118.07 3mu9 h TRP 98 Ca 0.00 -0.29 0.09 0.00 2.06 0.00 0.00 58.89 60.75 3mu9 h TRP 98 Cb 0.01 -0.02 -0.09 0.00 -1.00 0.00 0.00 29.16 28.07 3mu9 h TRP 98 CO -0.07 1.30 -0.15 -0.91 -3.56 0.00 0.00 178.44 175.05 3mu9 h ASN 99 N 0.06 -0.52 0.17 -3.49 2.35 -1.09 -1.67 115.58 111.38 3mu9 h ASN 99 Ca -0.19 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3mu9 h ASN 99 Cb 1.98 0.32 0.00 0.00 0.05 0.00 0.00 38.32 40.67 3mu9 h ASN 99 CO 0.17 -0.18 0.00 -0.81 -1.65 0.00 0.00 177.43 174.95 3mu9 n PRO 100 N -5.36 0.36 -0.18 0.81 -0.04 -1.26 -3.33 135.00 126.01 3mu9 n PRO 100 Ca 0.03 0.07 0.02 0.00 -0.04 0.00 0.00 63.50 63.58 3mu9 n PRO 100 Cb 0.26 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.25 3mu9 n PRO 100 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3mu9 n ILE 101 N -1.16 0.50 -4.15 0.52 -5.35 -0.70 -4.64 119.36 104.38 3mu9 n ILE 101 Ca 0.10 -0.56 -0.12 0.00 -0.27 0.00 0.00 62.75 61.90 3mu9 n ILE 101 Cb 0.10 0.53 -0.08 0.00 -1.74 0.00 0.00 39.64 38.45 3mu9 n ILE 101 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3mu9 s SER 102 N -1.00 0.23 -0.18 7.28 1.04 -0.75 -3.35 113.70 116.96 3mu9 s SER 102 Ca 0.06 -1.30 -0.02 0.00 0.48 0.00 0.00 55.95 55.17 3mu9 s SER 102 Cb 0.05 0.46 -0.00 0.00 0.10 0.00 0.00 66.02 66.63 3mu9 s SER 102 CO 0.01 -0.96 -0.10 -0.63 0.98 0.00 0.00 173.24 172.53 3mu9 s ILE 103 N -4.01 3.00 -0.35 -1.02 -1.09 0.13 -4.72 121.20 113.14 3mu9 s ILE 103 Ca 0.34 -0.64 -0.13 0.00 -2.23 0.00 0.00 60.65 58.00 3mu9 s ILE 103 Cb 0.04 -2.31 -0.01 0.00 -1.58 0.00 0.00 42.46 38.60 3mu9 s ILE 103 CO 0.13 0.48 0.24 -0.83 -1.23 0.00 0.00 174.94 173.73 3mu9 s GLY 104 N 1.08 1.96 -0.10 6.18 0.00 -1.26 -0.77 107.32 114.41 3mu9 s GLY 104 Ca 0.00 -1.42 -0.00 0.00 0.00 0.00 0.00 44.72 43.30 3mu9 s GLY 104 CO -0.02 0.78 -0.07 -0.26 0.00 0.00 0.00 173.10 173.53 3mu9 s ILE 105 N 1.71 3.63 -0.09 0.90 -4.36 -0.80 -1.24 121.20 120.95 3mu9 s ILE 105 Ca 0.06 -0.48 0.02 0.00 -0.26 0.00 0.00 60.65 59.99 3mu9 s ILE 105 Cb -0.18 -2.52 0.01 0.00 1.25 0.00 0.00 42.46 41.03 3mu9 s ILE 105 CO 0.10 0.56 -0.15 -0.55 0.24 0.00 0.00 174.94 175.14 3mu9 s SER 106 N -0.31 2.26 -0.09 4.36 0.15 -0.66 -1.34 113.70 118.06 3mu9 s SER 106 Ca 0.04 -0.39 -0.25 0.00 0.70 0.00 0.00 55.95 56.05 3mu9 s SER 106 Cb -0.13 -1.03 -0.03 0.00 -1.71 0.00 0.00 66.02 63.13 3mu9 s SER 106 CO 0.02 0.05 0.79 -0.36 1.20 0.00 0.00 173.24 174.94 3mu9 s PHE 107 N 0.71 3.54 -0.85 3.44 0.40 -0.58 -0.37 117.98 124.27 3mu9 s PHE 107 Ca -0.13 1.32 -0.25 0.00 -0.60 0.00 0.00 56.93 57.27 3mu9 s PHE 107 Cb -0.16 -2.92 0.01 0.00 0.51 0.00 0.00 43.02 40.46 3mu9 s PHE 107 CO 0.03 -0.03 1.58 -1.64 0.70 0.00 0.00 175.22 175.86 3mu9 s MET 108 N 1.27 3.10 0.00 0.44 -1.94 -0.25 -1.24 119.30 120.68 3mu9 s MET 108 Ca 0.40 -0.42 0.00 0.00 -1.71 0.00 0.00 55.69 53.96 3mu9 s MET 108 Cb -0.18 -4.82 0.00 0.00 2.01 0.00 0.00 34.83 31.84 3mu9 s MET 108 CO 0.18 -2.53 0.00 0.41 -0.01 0.00 0.00 175.02 173.06 3mu9 n GLY 109 N 6.29 -1.40 2.95 -0.03 0.00 -1.21 -3.96 105.19 107.83 3mu9 n GLY 109 Ca 0.25 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 3mu9 n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3mu9 s ASN 110 N -3.96 3.90 -0.66 1.61 3.84 -0.79 -0.52 114.94 118.36 3mu9 s ASN 110 Ca 0.00 -1.20 -0.00 0.00 0.21 0.00 0.00 52.86 51.87 3mu9 s ASN 110 Cb 0.00 -1.21 0.42 0.00 -0.55 0.00 0.00 41.25 39.91 3mu9 s ASN 110 CO 0.00 -0.23 1.86 -1.22 -2.79 0.00 0.00 177.10 174.72 3mu9 n TYR 111 N 4.65 3.11 0.03 0.43 4.02 -1.26 -4.48 117.16 123.67 3mu9 n TYR 111 Ca -0.12 -2.72 -0.19 0.00 -0.01 0.00 0.00 57.90 54.85 3mu9 n TYR 111 Cb 0.44 -1.13 -0.11 0.00 -0.02 0.00 0.00 39.34 38.52 3mu9 n TYR 111 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 3mu9 h MET 112 N 2.38 0.61 0.00 -0.72 4.05 -1.86 -1.82 114.93 117.57 3mu9 h MET 112 Ca 0.54 -0.66 -0.05 0.00 -0.28 0.00 0.00 59.70 59.25 3mu9 h MET 112 Cb 0.65 0.19 -0.11 0.00 -0.80 0.00 0.00 31.60 31.54 3mu9 h MET 112 CO 1.39 1.26 -0.55 0.09 0.23 0.00 0.00 176.91 179.33 3mu9 n ASN 113 N -3.97 0.91 -3.73 1.39 3.02 -1.26 -3.59 115.26 108.03 3mu9 n ASN 113 Ca -0.11 -2.43 -0.13 0.00 -0.03 0.00 0.00 54.58 51.88 3mu9 n ASN 113 Cb 0.82 -0.31 -0.14 0.00 -0.61 0.00 0.00 39.78 39.54 3mu9 n ASN 113 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3mu9 s ARG 114 N -0.91 0.14 0.14 3.52 3.52 -1.26 -5.07 118.95 119.03 3mu9 s ARG 114 Ca 0.20 0.46 -0.02 0.00 -0.13 0.00 0.00 55.73 56.24 3mu9 s ARG 114 Cb 0.20 -0.15 -0.05 0.00 -1.56 0.00 0.00 34.95 33.39 3mu9 s ARG 114 CO -0.05 -0.17 0.34 0.14 -0.81 0.00 0.00 175.30 174.74 3mu9 s VAL 115 N 1.29 5.23 0.52 7.11 -7.23 -1.26 -4.20 120.40 121.87 3mu9 s VAL 115 Ca -0.09 -0.19 -0.21 0.00 -1.81 0.00 0.00 61.98 59.68 3mu9 s VAL 115 Cb -0.11 -3.65 -0.06 0.00 0.56 0.00 0.00 36.38 33.12 3mu9 s VAL 115 CO -0.07 0.01 1.22 -2.84 -0.31 0.00 0.00 175.10 173.11 3mu9 s PRO 116 N -2.80 3.40 0.76 4.82 0.02 -1.26 -4.98 135.00 134.97 3mu9 s PRO 116 Ca 0.39 1.89 -0.11 0.00 0.02 0.00 0.00 61.00 63.19 3mu9 s PRO 116 Cb -0.12 -2.23 0.05 0.00 0.02 0.00 0.00 34.50 32.22 3mu9 s PRO 116 CO 0.27 -0.88 1.10 -1.25 -0.33 0.00 0.00 177.00 175.91 3mu9 s PRO 117 N -2.93 2.28 0.49 5.54 0.04 -1.26 -4.79 135.00 134.37 3mu9 s PRO 117 Ca 0.69 1.22 0.30 0.00 0.04 0.00 0.00 61.00 63.25 3mu9 s PRO 117 Cb -0.32 -1.90 1.39 0.00 0.04 0.00 0.00 34.50 33.72 3mu9 s PRO 117 CO 0.37 -1.63 1.81 -1.35 0.04 0.00 0.00 177.00 176.24 3mu9 h PRO 118 N -1.00 0.13 0.00 0.56 0.11 -1.96 0.11 132.00 129.95 3mu9 h PRO 118 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3mu9 h PRO 118 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3mu9 h PRO 118 CO 0.51 0.08 0.00 0.07 -0.21 0.00 0.00 178.00 178.46 3mu9 h ARG 119 N 0.13 0.00 0.19 1.05 0.11 -1.90 0.54 114.38 114.50 3mu9 h ARG 119 Ca 0.55 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 60.30 3mu9 h ARG 119 Cb 1.92 0.00 0.02 0.00 1.11 0.00 0.00 29.97 33.02 3mu9 h ARG 119 CO -0.10 0.00 -1.56 0.00 0.10 0.00 0.00 179.97 178.40 3mu9 h ALA 120 N 2.18 0.05 -0.43 0.08 0.00 -1.04 -2.71 119.26 117.39 3mu9 h ALA 120 Ca 0.00 -1.03 -0.09 0.00 0.00 0.00 0.00 54.91 53.79 3mu9 h ALA 120 Cb 0.66 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3mu9 h ALA 120 CO 0.00 0.86 -0.11 -0.07 0.00 0.00 0.00 179.25 179.93 3mu9 h LEU 121 N 0.02 0.76 -0.53 0.00 3.38 -1.19 -1.57 115.31 116.18 3mu9 h LEU 121 Ca -0.30 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.32 3mu9 h LEU 121 Cb 2.04 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.56 3mu9 h LEU 121 CO 0.18 0.90 -0.15 0.03 0.09 0.00 0.00 178.44 179.49 3mu9 h ARG 122 N 0.70 1.03 -0.15 1.13 3.08 -0.98 -1.15 114.38 118.04 3mu9 h ARG 122 Ca 0.12 -0.40 0.02 0.00 0.07 0.00 0.00 59.98 59.78 3mu9 h ARG 122 Cb 0.59 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3mu9 h ARG 122 CO 0.04 1.09 0.02 0.00 -1.07 0.00 0.00 179.97 180.05 3mu9 h ALA 123 N 0.91 0.14 -0.16 0.04 0.00 -1.13 0.12 119.26 119.18 3mu9 h ALA 123 Ca 0.13 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3mu9 h ALA 123 Cb 0.73 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3mu9 h ALA 123 CO 0.06 -0.43 0.09 0.00 0.00 0.00 0.00 179.25 178.97 3mu9 h ALA 124 N 1.11 0.21 -0.60 0.00 0.00 -1.16 -1.16 119.26 117.66 3mu9 h ALA 124 Ca 0.07 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3mu9 h ALA 124 Cb 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3mu9 h ALA 124 CO -0.10 -0.25 0.16 1.96 0.00 0.00 0.00 179.25 181.03 3mu9 h GLN 125 N 0.15 0.92 -0.35 0.00 1.08 -1.04 -2.38 115.11 113.49 3mu9 h GLN 125 Ca 0.06 -0.19 -0.13 0.00 -1.45 0.00 0.00 58.65 56.93 3mu9 h GLN 125 Cb 0.09 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 3mu9 h GLN 125 CO -0.01 0.81 -0.33 -0.97 -0.95 0.00 0.00 178.83 177.38 3mu9 h ASN 126 N 0.88 0.80 -0.64 1.46 -0.73 -0.83 -1.94 115.58 114.59 3mu9 h ASN 126 Ca 0.19 -0.33 -0.02 0.00 1.87 0.00 0.00 56.30 58.01 3mu9 h ASN 126 Cb 0.29 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.63 3mu9 h ASN 126 CO -0.00 1.06 0.32 0.25 -0.37 0.00 0.00 177.43 178.69 3mu9 h LEU 127 N 0.65 0.82 -0.47 0.34 5.85 -0.88 0.21 115.31 121.82 3mu9 h LEU 127 Ca 0.07 -0.12 -0.14 0.00 0.84 0.00 0.00 57.88 58.53 3mu9 h LEU 127 Cb 0.86 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3mu9 h LEU 127 CO 0.08 0.70 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.54 3mu9 h LEU 128 N 0.87 1.01 -0.99 2.25 3.38 -1.34 0.17 115.31 120.66 3mu9 h LEU 128 Ca 0.22 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 3mu9 h LEU 128 Cb 0.09 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3mu9 h LEU 128 CO -0.03 1.21 0.17 0.00 0.09 0.00 0.00 178.44 179.88 3mu9 h ALA 129 N 0.85 1.19 -0.42 1.53 0.00 -1.07 -1.09 119.26 120.24 3mu9 h ALA 129 Ca 0.09 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3mu9 h ALA 129 Cb 0.85 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3mu9 h ALA 129 CO 0.08 0.56 0.01 0.00 0.00 0.00 0.00 179.25 179.90 3mu9 h GLY 131 N 0.58 1.02 0.87 0.00 0.00 0.12 -0.61 103.07 105.05 3mu9 h GLY 131 Ca 0.12 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 3mu9 h GLY 131 CO 0.02 0.00 -0.10 -2.08 0.00 0.00 0.00 176.54 174.38 3mu9 h VAL 132 N 0.51 1.29 -0.75 4.60 2.07 -0.96 0.86 116.25 123.87 3mu9 h VAL 132 Ca 0.35 -1.16 0.11 0.00 0.82 0.00 0.00 66.70 66.82 3mu9 h VAL 132 Cb 0.43 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 3mu9 h VAL 132 CO -0.31 0.36 0.50 0.00 0.02 0.00 0.00 177.57 178.14 3mu9 h ALA 133 N 0.75 1.88 -0.00 1.67 0.00 -0.28 -1.51 119.26 121.77 3mu9 h ALA 133 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3mu9 h ALA 133 Cb 0.59 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3mu9 h ALA 133 CO 0.03 -0.05 -0.28 1.28 0.00 0.00 0.00 179.25 180.23 3mu9 n LEU 134 N -4.50 0.37 0.00 0.00 4.77 -0.31 -4.89 117.00 112.44 3mu9 n LEU 134 Ca 0.13 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 3mu9 n LEU 134 Cb 0.38 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3mu9 n LEU 134 CO 0.32 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3mu9 n GLY 135 N 1.47 0.80 0.17 -0.72 0.00 -0.57 -4.88 105.19 101.45 3mu9 n GLY 135 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 3mu9 n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mu9 h ALA 136 N 0.00 0.87 -3.40 4.61 0.00 -1.10 -3.34 119.26 116.90 3mu9 h ALA 136 Ca 0.00 -0.54 -0.66 0.00 0.00 0.00 0.00 54.91 53.72 3mu9 h ALA 136 Cb 0.00 -0.09 -0.20 0.00 0.00 0.00 0.00 17.79 17.51 3mu9 h ALA 136 CO 0.00 0.72 -0.83 -0.51 0.00 0.00 0.00 179.25 178.63 3mu9 s LEU 137 N -7.92 2.40 0.45 0.00 1.43 -0.63 -0.88 118.68 113.53 3mu9 s LEU 137 Ca -0.04 -0.83 -0.22 0.00 -1.03 0.00 0.00 54.13 52.01 3mu9 s LEU 137 Cb 0.12 -1.16 -0.08 0.00 0.03 0.00 0.00 46.19 45.10 3mu9 s LEU 137 CO 0.79 0.13 1.07 -0.13 0.23 0.00 0.00 176.35 178.45 3mu9 s ARG 138 N -2.47 3.89 0.57 1.70 0.52 0.04 -4.32 118.95 118.88 3mu9 s ARG 138 Ca 0.18 1.52 0.26 0.00 -0.52 0.00 0.00 55.73 57.17 3mu9 s ARG 138 Cb -0.08 -2.31 1.60 0.00 0.52 0.00 0.00 34.95 34.67 3mu9 s ARG 138 CO 0.08 -0.38 2.14 0.66 0.02 0.00 0.00 175.30 177.82 3mu9 h SER 139 N 1.97 0.00 -0.99 0.23 4.64 -1.91 -1.42 113.55 116.07 3mu9 h SER 139 Ca -0.49 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.22 3mu9 h SER 139 Cb 1.23 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.94 3mu9 h SER 139 CO 0.60 0.00 -0.18 -0.46 -0.87 0.00 0.00 176.83 175.92 3mu9 n ASN 140 N -4.02 5.91 -4.71 4.97 6.94 -1.26 -5.04 115.26 118.05 3mu9 n ASN 140 Ca 0.00 -3.76 -0.32 0.00 -0.02 0.00 0.00 54.58 50.48 3mu9 n ASN 140 Cb 0.25 -0.59 0.13 0.00 -2.36 0.00 0.00 39.78 37.20 3mu9 n ASN 140 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 3mu9 s TYR 141 N -3.69 1.92 -0.07 -2.53 -0.85 -0.54 -5.02 117.35 106.57 3mu9 s TYR 141 Ca 0.55 1.69 0.05 0.00 -0.52 0.00 0.00 57.07 58.84 3mu9 s TYR 141 Cb 0.44 -3.34 -0.01 0.00 0.38 0.00 0.00 41.96 39.43 3mu9 s TYR 141 CO -0.03 -2.57 -0.23 -1.21 -1.52 0.00 0.00 175.55 169.99 3mu9 s GLU 142 N -4.44 2.67 -0.15 -3.49 2.02 0.63 -4.76 118.70 111.17 3mu9 s GLU 142 Ca 0.68 -0.87 -0.11 0.00 0.02 0.00 0.00 54.97 54.69 3mu9 s GLU 142 Cb -0.24 -2.24 -0.05 0.00 0.10 0.00 0.00 34.13 31.71 3mu9 s GLU 142 CO 0.53 0.37 0.22 0.08 0.02 0.00 0.00 175.26 176.48 3mu9 s VAL 143 N -0.12 5.36 0.11 2.63 1.01 0.43 -1.14 120.40 128.66 3mu9 s VAL 143 Ca -0.04 0.39 0.09 0.00 0.00 0.00 0.00 61.98 62.41 3mu9 s VAL 143 Cb -0.14 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3mu9 s VAL 143 CO 0.04 0.47 -0.22 -0.54 0.00 0.00 0.00 175.10 174.86 3mu9 s LYS 144 N -0.03 1.16 0.41 2.72 -0.14 0.15 -1.63 119.74 122.38 3mu9 s LYS 144 Ca 0.14 -1.19 -0.13 0.00 -1.36 0.00 0.00 55.97 53.43 3mu9 s LYS 144 Cb -0.12 -1.45 -0.08 0.00 -1.68 0.00 0.00 37.83 34.50 3mu9 s LYS 144 CO 0.03 0.34 0.82 0.20 -0.76 0.00 0.00 175.35 175.97 3mu9 s GLY 145 N -1.93 2.09 0.23 -3.33 0.00 -1.26 -1.64 107.32 101.48 3mu9 s GLY 145 Ca 0.07 -0.03 -0.06 0.00 0.00 0.00 0.00 44.72 44.70 3mu9 s GLY 145 CO 0.04 0.19 1.81 0.84 0.00 0.00 0.00 173.10 175.98 3mu9 h HIS 146 N 1.45 0.80 0.00 1.90 2.76 -1.31 0.30 115.15 121.06 3mu9 h HIS 146 Ca -0.47 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 3mu9 h HIS 146 Cb 1.18 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.90 3mu9 h HIS 146 CO 0.62 0.34 0.00 2.89 -1.30 0.00 0.00 177.93 180.48 3mu9 n ARG 147 N -4.76 0.15 0.15 5.26 1.85 -0.14 -0.53 116.66 118.64 3mu9 n ARG 147 Ca 0.12 0.49 0.13 0.00 -1.00 0.00 0.00 57.85 57.58 3mu9 n ARG 147 Cb 0.24 -1.86 0.32 0.00 -1.05 0.00 0.00 32.46 30.11 3mu9 n ARG 147 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 3mu9 h ASP 148 N 0.00 0.00 0.00 2.89 3.32 -1.23 -3.35 116.42 118.05 3mu9 h ASP 148 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mu9 h ASP 148 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3mu9 h ASP 148 CO 0.00 0.00 -0.41 1.33 -1.72 0.00 0.00 179.24 178.44 3mu9 n VAL 149 N -2.57 0.00 -4.25 -1.35 0.24 -0.52 -4.99 118.33 104.89 3mu9 n VAL 149 Ca 0.05 -0.16 -0.14 0.00 -2.04 0.00 0.00 64.34 62.05 3mu9 n VAL 149 Cb 0.47 0.64 -0.10 0.00 -1.47 0.00 0.00 33.84 33.38 3mu9 n VAL 149 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3mu9 s GLN 150 N -1.14 1.11 -0.48 7.34 -1.52 0.31 -5.00 119.66 120.28 3mu9 s GLN 150 Ca 0.00 -1.52 -0.26 0.00 -1.95 0.00 0.00 55.36 51.64 3mu9 s GLN 150 Cb 0.00 -0.44 0.03 0.00 -0.22 0.00 0.00 33.01 32.38 3mu9 s GLN 150 CO 0.00 -0.05 0.96 -1.25 -0.25 0.00 0.00 175.29 174.70 3mu9 s PRO 151 N -3.84 3.52 -0.12 2.91 0.04 -1.26 -4.26 135.00 131.99 3mu9 s PRO 151 Ca 0.21 0.15 -0.31 0.00 0.04 0.00 0.00 61.00 61.09 3mu9 s PRO 151 Cb 0.05 -3.95 0.13 0.00 0.04 0.00 0.00 34.50 30.77 3mu9 s PRO 151 CO 0.03 -1.29 1.04 -0.08 0.04 0.00 0.00 177.00 176.74 3mu9 s THR 152 N 3.90 0.00 -0.31 1.26 -1.32 -1.26 -5.01 115.64 112.91 3mu9 s THR 152 Ca 0.37 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.09 3mu9 s THR 152 Cb -0.10 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.20 3mu9 s THR 152 CO 0.26 0.00 1.65 -0.07 -2.21 0.00 0.00 174.62 174.25 3mu9 h LEU 153 N 2.17 0.00 -9.33 9.08 3.38 -1.97 -3.40 115.31 115.25 3mu9 h LEU 153 Ca -0.16 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.15 3mu9 h LEU 153 Cb 1.19 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.01 3mu9 h LEU 153 CO 0.28 0.06 0.45 -0.24 0.09 0.00 0.00 178.44 179.08 3mu9 n SER 154 N -3.12 1.78 -1.89 -0.43 2.88 -1.26 -0.78 113.62 110.79 3mu9 n SER 154 Ca 0.03 1.12 -0.03 0.00 -1.33 0.00 0.00 58.87 58.66 3mu9 n SER 154 Cb 0.52 -1.24 0.32 0.00 -0.75 0.00 0.00 64.21 63.06 3mu9 n SER 154 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3mu9 n PRO 155 N 2.38 3.79 0.00 -1.46 -0.04 -1.26 -0.97 135.00 137.45 3mu9 n PRO 155 Ca 0.17 -3.10 0.00 0.00 -0.04 0.00 0.00 63.50 60.53 3mu9 n PRO 155 Cb 0.22 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 3mu9 n PRO 155 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mu9 n GLY 156 N -0.10 1.18 0.32 0.55 0.00 0.04 -4.28 105.19 102.89 3mu9 n GLY 156 Ca 0.38 -1.48 0.10 0.00 0.00 0.00 0.00 46.02 45.02 3mu9 n GLY 156 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3mu9 h ASP 157 N 0.00 0.51 -0.16 1.61 3.32 -1.67 0.37 116.42 120.40 3mu9 h ASP 157 Ca 0.00 0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 3mu9 h ASP 157 Cb 0.00 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3mu9 h ASP 157 CO 0.00 0.16 -0.15 0.03 -1.72 0.00 0.00 179.24 177.55 3mu9 h ARG 158 N 0.57 0.38 -0.10 3.56 2.47 -1.38 0.21 114.38 120.09 3mu9 h ARG 158 Ca 0.52 -0.20 -0.18 0.00 -1.26 0.00 0.00 59.98 58.85 3mu9 h ARG 158 Cb 0.83 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.16 3mu9 h ARG 158 CO -0.42 0.76 -0.69 1.25 0.56 0.00 0.00 179.97 181.42 3mu9 h LEU 159 N 0.02 0.53 -0.65 3.04 5.85 -1.44 -3.13 115.31 119.53 3mu9 h LEU 159 Ca 0.02 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 3mu9 h LEU 159 Cb 0.69 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 3mu9 h LEU 159 CO 0.04 1.07 0.30 0.22 -0.34 0.00 0.00 178.44 179.73 3mu9 h TYR 160 N 0.32 0.94 -1.00 1.25 3.20 -0.10 -1.66 116.97 119.92 3mu9 h TYR 160 Ca -0.02 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.82 3mu9 h TYR 160 Cb 1.26 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 39.19 3mu9 h TYR 160 CO 0.05 0.71 0.66 1.49 -1.64 0.00 0.00 178.16 179.42 3mu9 h GLU 161 N 0.89 1.27 -0.01 1.82 4.81 -0.93 -2.53 114.58 119.90 3mu9 h GLU 161 Ca 0.22 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3mu9 h GLU 161 Cb 0.13 -0.29 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 3mu9 h GLU 161 CO -0.03 0.84 -0.00 0.82 -0.73 0.00 0.00 179.01 179.91 3mu9 h ILE 162 N 1.31 1.30 0.00 2.32 2.04 -1.39 -3.17 117.51 119.92 3mu9 h ILE 162 Ca 0.38 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 3mu9 h ILE 162 Cb -0.08 1.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3mu9 h ILE 162 CO -0.10 0.23 -0.08 0.16 0.00 0.00 0.00 178.15 178.37 3mu9 h ILE 163 N -0.34 0.61 0.00 -0.67 3.07 -1.15 -1.27 117.51 117.76 3mu9 h ILE 163 Ca 0.00 -0.32 0.00 0.00 1.55 0.00 0.00 64.86 66.09 3mu9 h ILE 163 Cb 0.38 1.20 0.00 0.00 -0.27 0.00 0.00 36.82 38.13 3mu9 h ILE 163 CO 0.00 0.07 0.00 1.56 -1.05 0.00 0.00 178.15 178.74 3mu9 h GLN 164 N 0.00 0.00 -0.00 0.16 4.20 -1.42 -1.64 115.11 116.41 3mu9 h GLN 164 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3mu9 h GLN 164 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3mu9 h GLN 164 CO 0.01 0.00 -0.64 0.25 -0.67 0.00 0.00 178.83 177.78 3mu9 n THR 165 N -2.60 0.00 -1.98 -0.54 -2.24 -0.48 -4.89 114.28 101.54 3mu9 n THR 165 Ca -0.00 -0.03 -0.39 0.00 -2.27 0.00 0.00 64.05 61.36 3mu9 n THR 165 Cb 0.15 0.57 0.01 0.00 -2.10 0.00 0.00 70.33 68.96 3mu9 n THR 165 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 3mu9 s TRP 166 N -2.92 2.61 0.28 4.78 0.52 -0.62 -4.91 118.94 118.68 3mu9 s TRP 166 Ca 0.12 1.41 0.02 0.00 0.02 0.00 0.00 56.10 57.67 3mu9 s TRP 166 Cb 0.17 -3.67 0.65 0.00 -1.15 0.00 0.00 33.47 29.47 3mu9 s TRP 166 CO 0.73 -2.31 1.71 1.03 0.02 0.00 0.00 176.95 178.13 3mu9 h SER 167 N 2.07 0.34 -0.17 2.95 0.87 -1.93 -1.78 113.55 115.89 3mu9 h SER 167 Ca -0.50 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 3mu9 h SER 167 Cb 1.27 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 3mu9 h SER 167 CO 0.60 0.05 0.00 1.41 -0.53 0.00 0.00 176.83 178.36 3mu9 n HIS 168 N -5.02 0.21 -2.23 2.24 8.25 -1.26 -4.95 115.22 112.47 3mu9 n HIS 168 Ca 0.20 -0.11 -0.41 0.00 -0.26 0.00 0.00 57.72 57.15 3mu9 n HIS 168 Cb 0.58 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.66 3mu9 n HIS 168 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3mu9 s TYR 169 N -1.79 3.23 -0.26 4.41 5.04 -0.67 -0.43 117.35 126.88 3mu9 s TYR 169 Ca 0.34 1.41 -0.02 0.00 -2.44 0.00 0.00 57.07 56.35 3mu9 s TYR 169 Cb 0.20 -3.57 0.15 0.00 0.35 0.00 0.00 41.96 39.09 3mu9 s TYR 169 CO 0.29 -1.59 0.47 0.50 -1.34 0.00 0.00 175.55 173.88 3mu9 s ARG 170 N -1.13 0.44 0.00 4.97 3.52 -0.64 -4.81 118.95 121.29 3mu9 s ARG 170 Ca 0.51 0.76 0.08 0.00 -0.13 0.00 0.00 55.73 56.95 3mu9 s ARG 170 Cb -0.37 -0.02 0.50 0.00 -1.56 0.00 0.00 34.95 33.50 3mu9 s ARG 170 CO 0.45 -0.61 0.95 0.00 -0.81 0.00 0.00 175.30 175.28