#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pet s VAL 2 N 0.00 3.48 0.08 3.84 0.11 -0.15 -4.46 120.40 123.30 2pet s VAL 2 Ca 0.00 1.41 0.03 0.00 -2.93 0.00 0.00 61.98 60.48 2pet s VAL 2 Cb 0.00 -3.86 -0.03 0.00 -1.53 0.00 0.00 36.38 30.95 2pet s VAL 2 CO 0.00 0.27 -0.08 -0.13 -3.33 0.00 0.00 175.10 171.83 2pet s ARG 3 N -1.70 0.74 -0.14 1.54 0.52 -0.39 -4.74 118.95 114.79 2pet s ARG 3 Ca 0.48 -1.09 -0.06 0.00 -0.52 0.00 0.00 55.73 54.53 2pet s ARG 3 Cb -0.30 -0.35 0.06 0.00 0.52 0.00 0.00 34.95 34.88 2pet s ARG 3 CO 0.39 0.04 0.31 -1.17 0.02 0.00 0.00 175.30 174.88 2pet s LEU 4 N -2.38 -0.07 -0.02 2.53 2.96 -1.26 -1.33 118.68 119.11 2pet s LEU 4 Ca 0.03 0.68 0.03 0.00 -0.22 0.00 0.00 54.13 54.65 2pet s LEU 4 Cb -0.02 0.92 -0.00 0.00 0.50 0.00 0.00 46.19 47.59 2pet s LEU 4 CO -0.02 -0.20 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.15 2pet s SER 5 N 1.86 1.39 0.10 3.68 0.15 -1.26 -4.73 113.70 114.90 2pet s SER 5 Ca -0.05 -0.22 0.03 0.00 0.70 0.00 0.00 55.95 56.41 2pet s SER 5 Cb -0.11 -0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 63.87 2pet s SER 5 CO -0.10 0.11 -0.08 0.68 1.20 0.00 0.00 173.24 175.05 2pet s VAL 6 N -0.01 0.81 0.08 4.45 -7.23 -1.26 -4.75 120.40 112.49 2pet s VAL 6 Ca -0.00 -1.86 -0.34 0.00 -1.81 0.00 0.00 61.98 57.97 2pet s VAL 6 Cb -0.07 -1.60 -0.13 0.00 0.56 0.00 0.00 36.38 35.14 2pet s VAL 6 CO 0.00 -0.77 1.68 -2.65 -0.31 0.00 0.00 175.10 173.04 2pet n PRO 7 N 0.11 2.16 0.26 4.82 -0.02 -1.26 -4.86 135.00 136.21 2pet n PRO 7 Ca -0.13 0.78 0.14 0.00 -2.02 0.00 0.00 63.50 62.28 2pet n PRO 7 Cb 0.60 -2.58 0.63 0.00 -0.02 0.00 0.00 33.50 32.13 2pet n PRO 7 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2pet h PRO 8 N 6.99 0.00 -3.79 0.52 0.13 -1.94 -3.41 132.00 130.50 2pet h PRO 8 Ca -0.46 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.27 2pet h PRO 8 Cb 1.26 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.03 2pet h PRO 8 CO 0.91 0.10 -0.76 -1.17 -0.23 0.00 0.00 178.00 176.84 2pet s LEU 9 N -6.54 0.96 -0.04 1.56 2.96 -1.26 -0.91 118.68 115.42 2pet s LEU 9 Ca 0.00 -0.08 0.06 0.00 -0.22 0.00 0.00 54.13 53.89 2pet s LEU 9 Cb 0.10 -0.37 -0.01 0.00 0.50 0.00 0.00 46.19 46.41 2pet s LEU 9 CO 0.58 -0.13 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.59 2pet s VAL 10 N 1.38 1.67 0.03 1.68 1.01 0.41 -4.95 120.40 121.64 2pet s VAL 10 Ca -0.04 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.14 2pet s VAL 10 Cb -0.13 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 2pet s VAL 10 CO -0.02 0.47 -0.24 -1.61 0.00 0.00 0.00 175.10 173.70 2pet s GLU 11 N -0.23 1.66 0.02 2.72 2.02 -1.26 -0.62 118.70 123.01 2pet s GLU 11 Ca 0.01 -0.98 -0.08 0.00 0.02 0.00 0.00 54.97 53.94 2pet s GLU 11 Cb -0.11 -1.77 0.00 0.00 0.10 0.00 0.00 34.13 32.36 2pet s GLU 11 CO 0.01 0.46 0.15 0.54 0.02 0.00 0.00 175.26 176.45 2pet s VAL 12 N -0.74 0.10 0.23 2.63 0.11 -0.60 -4.96 120.40 117.16 2pet s VAL 12 Ca 0.10 -0.81 -0.23 0.00 -2.93 0.00 0.00 61.98 58.10 2pet s VAL 12 Cb -0.09 -0.66 -0.09 0.00 -1.53 0.00 0.00 36.38 34.02 2pet s VAL 12 CO 0.01 -0.45 0.79 -0.04 -3.33 0.00 0.00 175.10 172.09 2pet s MET 13 N -1.93 4.44 0.17 1.54 -1.94 -1.26 -1.07 119.30 119.25 2pet s MET 13 Ca -0.10 1.08 -0.33 0.00 -1.71 0.00 0.00 55.69 54.63 2pet s MET 13 Cb -0.05 -3.00 -0.16 0.00 2.01 0.00 0.00 34.83 33.64 2pet s MET 13 CO -0.01 0.43 1.14 -2.13 -0.01 0.00 0.00 175.02 174.44 2pet n ARG 14 N 0.99 1.10 0.00 2.03 0.63 0.92 -1.64 116.66 120.69 2pet n ARG 14 Ca -0.03 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.30 2pet n ARG 14 Cb 0.50 -1.87 0.00 0.00 0.45 0.00 0.00 32.46 31.54 2pet n ARG 14 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2pet n GLY 15 N 1.97 2.87 3.94 5.14 0.00 0.38 -4.90 105.19 114.58 2pet n GLY 15 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 2pet n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pet s LYS 16 N -0.60 2.98 0.18 1.61 1.02 -0.65 -4.13 119.74 120.15 2pet s LYS 16 Ca 0.00 -0.30 0.05 0.00 0.02 0.00 0.00 55.97 55.74 2pet s LYS 16 Cb 0.00 -2.44 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 2pet s LYS 16 CO 0.00 -0.47 0.16 -1.12 -0.92 0.00 0.00 175.35 173.00 2pet s SER 17 N -4.26 5.55 -0.00 2.83 0.01 -1.26 -0.35 113.70 116.21 2pet s SER 17 Ca 0.51 -0.14 -0.08 0.00 1.31 0.00 0.00 55.95 57.54 2pet s SER 17 Cb -0.10 -1.45 0.00 0.00 0.21 0.00 0.00 66.02 64.68 2pet s SER 17 CO 0.41 0.05 0.16 0.54 0.41 0.00 0.00 173.24 174.81 2pet s VAL 18 N -1.83 0.08 -0.18 3.43 0.11 -0.53 -4.97 120.40 116.51 2pet s VAL 18 Ca 0.31 -0.65 0.01 0.00 -2.93 0.00 0.00 61.98 58.73 2pet s VAL 18 Cb -0.10 -0.46 0.02 0.00 -1.53 0.00 0.00 36.38 34.32 2pet s VAL 18 CO 0.24 -0.35 -0.19 -0.63 -3.33 0.00 0.00 175.10 170.84 2pet s ILE 19 N -1.35 1.98 -0.07 7.04 1.01 -1.26 -0.40 121.20 128.16 2pet s ILE 19 Ca -0.14 -0.92 -0.24 0.00 0.00 0.00 0.00 60.65 59.35 2pet s ILE 19 Cb -0.07 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 2pet s ILE 19 CO 0.02 0.50 0.73 -0.76 0.00 0.00 0.00 174.94 175.43 2pet s LEU 20 N 1.32 4.31 0.55 2.97 1.43 0.01 -4.96 118.68 124.31 2pet s LEU 20 Ca 0.04 1.22 -0.19 0.00 -1.03 0.00 0.00 54.13 54.18 2pet s LEU 20 Cb -0.13 -3.13 -0.05 0.00 0.03 0.00 0.00 46.19 42.91 2pet s LEU 20 CO -0.12 -0.15 1.10 -0.62 0.23 0.00 0.00 176.35 176.79 2pet s ASP 21 N 0.85 5.75 -0.51 2.29 2.15 -1.26 -3.11 116.67 122.83 2pet s ASP 21 Ca 0.39 2.07 0.07 0.00 0.43 0.00 0.00 52.55 55.51 2pet s ASP 21 Cb -0.18 -2.57 0.19 0.00 -0.30 0.00 0.00 42.92 40.06 2pet s ASP 21 CO 0.18 -1.20 0.71 0.00 -0.17 0.00 0.00 175.17 174.70 2pet s THR 23 N 0.96 2.92 0.66 0.00 2.01 -1.26 -4.87 115.64 116.06 2pet s THR 23 Ca 0.28 -2.57 -0.13 0.00 0.31 0.00 0.00 61.69 59.59 2pet s THR 23 Cb -0.00 -3.02 -0.01 0.00 0.01 0.00 0.00 72.50 69.48 2pet s THR 23 CO -0.06 -0.72 1.06 -2.16 -0.69 0.00 0.00 174.62 172.06 2pet s PRO 24 N 0.56 3.03 0.19 4.92 0.04 -1.26 -4.68 135.00 137.81 2pet s PRO 24 Ca 0.12 1.11 0.07 0.00 0.04 0.00 0.00 61.00 62.35 2pet s PRO 24 Cb -0.22 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 2pet s PRO 24 CO -0.04 -1.03 0.05 0.95 0.04 0.00 0.00 177.00 176.96 2pet s THR 25 N -2.73 3.91 0.00 1.26 -4.23 -0.44 -4.77 115.64 108.64 2pet s THR 25 Ca 0.61 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 2pet s THR 25 Cb -0.16 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.68 2pet s THR 25 CO 0.46 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.98 2pet n GLY 26 N -0.39 0.53 3.90 3.99 0.00 -1.26 -1.26 105.19 110.71 2pet n GLY 26 Ca -0.09 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 2pet n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pet s THR 27 N -2.00 4.90 0.00 2.61 2.01 -1.26 -3.84 115.64 118.05 2pet s THR 27 Ca 0.00 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.25 2pet s THR 27 Cb 0.00 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.67 2pet s THR 27 CO 0.00 -0.79 0.00 1.41 -0.69 0.00 0.00 174.62 174.55 2pet n HIS 28 N -2.08 -2.30 -0.27 4.92 8.25 -1.26 -5.00 115.22 117.48 2pet n HIS 28 Ca 0.01 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.54 2pet n HIS 28 Cb 0.55 0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.87 2pet n HIS 28 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 2pet h ASP 29 N 0.00 0.32 -3.31 0.41 3.58 -1.96 -3.41 116.42 112.05 2pet h ASP 29 Ca 0.00 0.11 -0.66 0.00 0.42 0.00 0.00 57.03 56.90 2pet h ASP 29 Cb 0.00 0.08 -0.29 0.00 1.72 0.00 0.00 39.33 40.85 2pet h ASP 29 CO 0.00 0.11 -0.76 -2.28 -2.88 0.00 0.00 179.24 173.42 2pet s HIS 30 N -5.99 2.88 0.23 0.28 2.46 -1.26 -3.57 115.29 110.32 2pet s HIS 30 Ca -0.12 -0.96 -0.14 0.00 0.47 0.00 0.00 55.06 54.31 2pet s HIS 30 Cb 0.22 -1.99 0.00 0.00 -0.13 0.00 0.00 32.58 30.68 2pet s HIS 30 CO 0.77 -0.48 0.48 1.52 -2.47 0.00 0.00 174.74 174.56 2pet s TYR 31 N 1.07 0.25 0.03 3.88 1.13 -0.11 -4.61 117.35 118.98 2pet s TYR 31 Ca 0.00 -0.62 0.05 0.00 -1.41 0.00 0.00 57.07 55.10 2pet s TYR 31 Cb -0.15 0.23 -0.02 0.00 -1.10 0.00 0.00 41.96 40.92 2pet s TYR 31 CO -0.02 -0.97 -0.15 1.41 -2.51 0.00 0.00 175.55 173.31 2pet s MET 32 N -3.98 1.06 -0.10 -3.49 1.75 0.82 0.11 119.30 115.48 2pet s MET 32 Ca 0.19 -0.75 0.02 0.00 -1.25 0.00 0.00 55.69 53.89 2pet s MET 32 Cb -0.01 -1.08 -0.02 0.00 2.84 0.00 0.00 34.83 36.56 2pet s MET 32 CO 0.06 0.27 -0.15 -0.51 -0.65 0.00 0.00 175.02 174.04 2pet s LEU 33 N -1.02 2.63 -0.01 4.11 1.43 0.13 -0.17 118.68 125.78 2pet s LEU 33 Ca 0.03 -0.31 0.06 0.00 -1.03 0.00 0.00 54.13 52.88 2pet s LEU 33 Cb -0.08 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 2pet s LEU 33 CO 0.01 0.23 -0.18 -1.61 0.23 0.00 0.00 176.35 175.03 2pet s GLU 34 N -0.03 1.44 -0.09 1.70 2.02 0.39 -0.54 118.70 123.60 2pet s GLU 34 Ca -0.04 -0.67 -0.01 0.00 0.02 0.00 0.00 54.97 54.28 2pet s GLU 34 Cb -0.14 -1.41 -0.03 0.00 0.10 0.00 0.00 34.13 32.65 2pet s GLU 34 CO 0.04 0.38 -0.04 -1.58 0.02 0.00 0.00 175.26 174.08 2pet s TRP 35 N -0.46 3.01 0.06 1.61 0.52 0.18 -1.08 118.94 122.79 2pet s TRP 35 Ca 0.07 0.01 0.02 0.00 0.02 0.00 0.00 56.10 56.21 2pet s TRP 35 Cb -0.07 -1.78 -0.03 0.00 -1.15 0.00 0.00 33.47 30.44 2pet s TRP 35 CO -0.00 0.30 -0.07 -0.06 0.02 0.00 0.00 176.95 177.14 2pet s PHE 36 N -0.60 0.71 0.55 -1.98 0.08 -0.22 -0.98 117.98 115.54 2pet s PHE 36 Ca 0.09 -0.70 -0.06 0.00 0.12 0.00 0.00 56.93 56.38 2pet s PHE 36 Cb -0.12 -0.43 -0.01 0.00 -0.57 0.00 0.00 43.02 41.89 2pet s PHE 36 CO 0.02 -0.14 0.88 -0.51 -0.10 0.00 0.00 175.22 175.37 2pet s LEU 37 N -2.21 3.38 0.06 -0.37 1.43 -0.30 -0.95 118.68 119.72 2pet s LEU 37 Ca -0.01 0.90 -0.15 0.00 -1.03 0.00 0.00 54.13 53.83 2pet s LEU 37 Cb -0.03 -3.80 0.03 0.00 0.03 0.00 0.00 46.19 42.42 2pet s LEU 37 CO -0.02 -0.85 0.35 0.28 0.23 0.00 0.00 176.35 176.34 2pet s THR 38 N -2.92 0.07 0.12 5.49 -1.32 -0.98 -3.50 115.64 112.60 2pet s THR 38 Ca 0.51 -0.61 0.01 0.00 -1.21 0.00 0.00 61.69 60.40 2pet s THR 38 Cb -0.10 -1.01 -0.01 0.00 -1.51 0.00 0.00 72.50 69.87 2pet s THR 38 CO 0.46 -0.34 0.05 -0.90 -2.21 0.00 0.00 174.62 171.69 2pet n ASP 39 N 0.36 0.89 0.31 8.08 5.68 -1.25 -4.04 116.55 126.59 2pet n ASP 39 Ca -0.18 -1.67 0.18 0.00 -0.50 0.00 0.00 54.79 52.62 2pet n ASP 39 Cb 0.61 0.34 0.92 0.00 -1.14 0.00 0.00 41.12 41.85 2pet n ASP 39 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 2pet h ARG 40 N 0.00 0.00 0.00 0.11 -0.00 -2.02 0.27 114.38 112.74 2pet h ARG 40 Ca -0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.86 2pet h ARG 40 Cb 0.37 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.34 2pet h ARG 40 CO 0.15 0.00 -0.12 0.66 -0.00 0.00 0.00 179.97 180.66 2pet h SER 41 N 0.00 0.00 0.00 0.08 4.64 -2.04 -3.47 113.55 112.76 2pet h SER 41 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2pet h SER 41 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2pet h SER 41 CO -0.00 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 2pet n GLY 42 N 0.68 1.35 3.60 -0.77 0.00 0.96 -5.01 105.19 106.01 2pet n GLY 42 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2pet n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pet n ALA 43 N 0.78 0.09 -3.61 4.61 0.00 -1.26 -4.87 120.51 116.25 2pet n ALA 43 Ca 0.00 0.23 -0.27 0.00 0.00 0.00 0.00 53.44 53.39 2pet n ALA 43 Cb 0.00 -2.07 -0.11 0.00 0.00 0.00 0.00 19.45 17.28 2pet n ALA 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pet n ARG 44 N 0.15 1.07 -1.68 0.00 1.74 -1.26 -3.81 116.66 112.87 2pet n ARG 44 Ca 0.10 -3.84 -0.45 0.00 -0.77 0.00 0.00 57.85 52.88 2pet n ARG 44 Cb 0.39 -1.95 -0.04 0.00 -1.02 0.00 0.00 32.46 29.84 2pet n ARG 44 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2pet n PRO 45 N 2.26 2.30 -2.58 5.56 -0.02 -1.23 -4.78 135.00 136.52 2pet n PRO 45 Ca 0.25 0.83 -0.41 0.00 -2.02 0.00 0.00 63.50 62.15 2pet n PRO 45 Cb 0.42 -2.63 -0.04 0.00 -0.02 0.00 0.00 33.50 31.24 2pet n PRO 45 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2pet s ARG 46 N 1.20 4.60 -0.22 -0.52 0.52 -1.26 -1.15 118.95 122.12 2pet s ARG 46 Ca 0.79 1.63 -0.02 0.00 -0.52 0.00 0.00 55.73 57.60 2pet s ARG 46 Cb -0.64 -3.32 -0.13 0.00 0.52 0.00 0.00 34.95 31.38 2pet s ARG 46 CO 0.37 0.07 -0.23 1.28 0.02 0.00 0.00 175.30 176.82 2pet n LEU 47 N 2.76 2.58 -3.51 2.53 4.77 -0.15 -3.82 117.00 122.16 2pet n LEU 47 Ca 0.03 0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 2pet n LEU 47 Cb 0.47 -0.74 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 2pet n LEU 47 CO 0.53 0.75 0.66 0.00 -1.33 0.00 0.00 177.39 178.01 2pet s ALA 48 N -2.43 -1.82 -0.01 -1.18 0.00 -1.18 -0.55 121.76 114.58 2pet s ALA 48 Ca -0.30 1.10 0.01 0.00 0.00 0.00 0.00 51.96 52.77 2pet s ALA 48 Cb 0.09 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.44 2pet s ALA 48 CO 0.47 -0.61 -0.05 -1.12 0.00 0.00 0.00 175.76 174.46 2pet s SER 49 N -2.17 0.60 -0.05 0.00 0.01 -0.26 -0.65 113.70 111.18 2pet s SER 49 Ca 0.02 -0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.22 2pet s SER 49 Cb -0.01 -0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.12 2pet s SER 49 CO -0.06 0.04 -0.10 0.00 0.41 0.00 0.00 173.24 173.52 2pet s ALA 50 N 0.09 1.09 -0.10 1.44 0.00 0.30 -0.76 121.76 123.82 2pet s ALA 50 Ca -0.01 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 51.66 2pet s ALA 50 Cb -0.04 -0.50 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 2pet s ALA 50 CO -0.00 0.10 -0.24 -2.00 0.00 0.00 0.00 175.76 173.62 2pet s GLU 51 N 0.62 3.03 -0.12 0.00 2.12 0.15 -0.69 118.70 123.80 2pet s GLU 51 Ca -0.12 -0.87 0.01 0.00 0.36 0.00 0.00 54.97 54.35 2pet s GLU 51 Cb -0.14 -2.30 -0.01 0.00 0.26 0.00 0.00 34.13 31.93 2pet s GLU 51 CO 0.03 0.20 -0.16 -1.64 -0.54 0.00 0.00 175.26 173.14 2pet s MET 52 N 0.30 3.30 -0.20 4.30 -1.94 0.12 -0.43 119.30 124.74 2pet s MET 52 Ca -0.17 -0.73 -0.04 0.00 -1.71 0.00 0.00 55.69 53.03 2pet s MET 52 Cb -0.18 -2.55 0.10 0.00 2.01 0.00 0.00 34.83 34.22 2pet s MET 52 CO 0.08 0.21 0.29 1.14 -0.01 0.00 0.00 175.02 176.73 2pet s GLN 53 N 0.35 0.24 4.61 2.03 -2.07 -0.95 -0.94 119.66 122.93 2pet s GLN 53 Ca -0.13 0.48 0.00 0.00 -1.82 0.00 0.00 55.36 53.89 2pet s GLN 53 Cb -0.16 -0.63 0.00 0.00 -1.09 0.00 0.00 33.01 31.13 2pet s GLN 53 CO 0.07 -0.54 0.00 0.41 -1.32 0.00 0.00 175.29 173.90 2pet n GLY 54 N 5.34 0.97 2.07 2.60 0.00 -1.23 -1.95 105.19 112.99 2pet n GLY 54 Ca -0.05 0.53 -0.27 0.00 0.00 0.00 0.00 46.02 46.23 2pet n GLY 54 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2pet n SER 55 N 9.65 5.82 -3.73 1.61 7.64 -1.26 -4.93 113.62 128.42 2pet n SER 55 Ca 0.00 -3.77 -0.13 0.00 1.01 0.00 0.00 58.87 55.99 2pet n SER 55 Cb 0.00 -0.64 -0.10 0.00 -1.01 0.00 0.00 64.21 62.45 2pet n SER 55 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2pet s GLU 56 N -3.66 0.44 -0.09 1.43 2.12 -0.82 -5.14 118.70 112.98 2pet s GLU 56 Ca 0.56 0.59 0.02 0.00 0.36 0.00 0.00 54.97 56.51 2pet s GLU 56 Cb 0.45 0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.99 2pet s GLU 56 CO 0.02 -0.08 -0.16 -1.17 -0.54 0.00 0.00 175.26 173.33 2pet s LEU 57 N 0.48 2.59 -0.10 2.70 2.96 -1.26 -2.23 118.68 123.82 2pet s LEU 57 Ca -0.02 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.60 2pet s LEU 57 Cb -0.04 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 2pet s LEU 57 CO -0.02 0.24 -0.20 -1.58 -1.32 0.00 0.00 176.35 173.46 2pet s GLN 58 N -0.10 3.05 -0.02 1.98 0.74 0.42 -4.95 119.66 120.78 2pet s GLN 58 Ca -0.03 -0.82 0.03 0.00 0.05 0.00 0.00 55.36 54.60 2pet s GLN 58 Cb -0.14 -2.38 -0.00 0.00 1.10 0.00 0.00 33.01 31.59 2pet s GLN 58 CO 0.04 0.24 -0.12 0.08 -0.55 0.00 0.00 175.29 174.98 2pet s VAL 59 N 0.21 0.96 -0.11 1.34 1.01 -1.26 0.33 120.40 122.89 2pet s VAL 59 Ca -0.13 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 2pet s VAL 59 Cb -0.16 -0.82 0.03 0.00 0.00 0.00 0.00 36.38 35.42 2pet s VAL 59 CO 0.07 0.28 -0.05 -0.89 0.00 0.00 0.00 175.10 174.51 2pet s THR 60 N -0.08 0.83 0.25 3.92 2.01 0.06 -4.99 115.64 117.65 2pet s THR 60 Ca 0.01 -0.22 -0.21 0.00 0.31 0.00 0.00 61.69 61.59 2pet s THR 60 Cb -0.07 -0.92 -0.09 0.00 0.01 0.00 0.00 72.50 71.43 2pet s THR 60 CO 0.00 0.29 0.77 -0.04 -0.69 0.00 0.00 174.62 174.96 2pet s MET 61 N 1.78 4.29 0.00 4.92 -1.94 -1.26 -1.10 119.30 126.00 2pet s MET 61 Ca 0.04 0.95 0.00 0.00 -1.71 0.00 0.00 55.69 54.97 2pet s MET 61 Cb -0.13 -2.82 0.00 0.00 2.01 0.00 0.00 34.83 33.90 2pet s MET 61 CO -0.07 0.35 0.00 0.72 -0.01 0.00 0.00 175.02 176.00 2pet n HIS 62 N 0.58 0.00 -1.72 -0.03 8.25 0.29 -4.93 115.22 117.67 2pet n HIS 62 Ca -0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.07 2pet n HIS 62 Cb 0.51 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.67 2pet n HIS 62 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2pet n ASP 63 N -1.24 2.19 0.00 0.41 2.03 -1.18 -4.90 116.55 113.87 2pet n ASP 63 Ca 0.00 0.91 0.00 0.00 0.52 0.00 0.00 54.79 56.22 2pet n ASP 63 Cb 0.00 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 38.86 2pet n ASP 63 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2pet n THR 64 N -1.38 0.00 0.00 5.18 -2.24 -1.26 -4.58 114.28 110.00 2pet n THR 64 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2pet n THR 64 Cb 0.46 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 2pet n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2pet n ARG 65 N 0.00 0.00 -3.84 -0.78 1.74 -1.26 -5.03 116.66 107.50 2pet n ARG 65 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 2pet n ARG 65 Cb 0.28 -0.10 0.03 0.00 -1.02 0.00 0.00 32.46 31.65 2pet n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pet n GLY 66 N 0.00 -0.95 3.77 -0.13 0.00 -1.26 -4.97 105.19 101.65 2pet n GLY 66 Ca 0.00 0.42 -0.38 0.00 0.00 0.00 0.00 46.02 46.06 2pet n GLY 66 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pet s ARG 67 N -6.49 4.09 -0.13 1.61 3.52 -1.26 -5.03 118.95 115.26 2pet s ARG 67 Ca 0.46 1.72 -0.00 0.00 -0.13 0.00 0.00 55.73 57.78 2pet s ARG 67 Cb -0.20 -2.64 0.03 0.00 -1.56 0.00 0.00 34.95 30.58 2pet s ARG 67 CO 0.91 -0.25 -0.08 0.45 -0.81 0.00 0.00 175.30 175.51 2pet s SER 68 N -1.28 2.42 0.82 -2.12 0.15 -1.26 -2.68 113.70 109.74 2pet s SER 68 Ca 0.57 -0.42 -0.11 0.00 0.70 0.00 0.00 55.95 56.69 2pet s SER 68 Cb -0.28 -0.91 0.08 0.00 -1.71 0.00 0.00 66.02 63.21 2pet s SER 68 CO 0.35 -0.13 1.09 -2.16 1.20 0.00 0.00 173.24 173.59 2pet s PRO 69 N 1.66 1.91 0.84 5.44 0.04 -1.26 -5.06 135.00 138.56 2pet s PRO 69 Ca 0.04 1.08 -0.13 0.00 0.04 0.00 0.00 61.00 62.03 2pet s PRO 69 Cb -0.13 -1.86 0.09 0.00 0.04 0.00 0.00 34.50 32.63 2pet s PRO 69 CO -0.08 -1.86 1.09 -2.30 0.04 0.00 0.00 177.00 173.88 2pet n PRO 70 N -3.66 0.02 -1.06 0.56 -0.02 -1.09 -4.90 135.00 124.85 2pet n PRO 70 Ca 0.09 0.08 -0.33 0.00 -2.02 0.00 0.00 63.50 61.31 2pet n PRO 70 Cb 0.54 -2.34 0.13 0.00 -0.02 0.00 0.00 33.50 31.80 2pet n PRO 70 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2pet n TYR 71 N -3.47 1.09 -4.19 6.00 4.01 -1.26 -4.76 117.16 114.58 2pet n TYR 71 Ca 0.13 0.40 -0.11 0.00 -0.16 0.00 0.00 57.90 58.15 2pet n TYR 71 Cb 0.51 -2.08 -0.10 0.00 -0.31 0.00 0.00 39.34 37.36 2pet n TYR 71 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2pet s GLN 72 N -4.10 0.96 0.08 -0.72 -0.21 -1.04 -5.02 119.66 109.60 2pet s GLN 72 Ca 0.72 -1.44 0.07 0.00 0.02 0.00 0.00 55.36 54.73 2pet s GLN 72 Cb -0.29 -0.09 -0.04 0.00 1.00 0.00 0.00 33.01 33.60 2pet s GLN 72 CO 0.52 -0.13 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.94 2pet s LEU 73 N -3.09 2.97 0.00 2.90 1.43 -1.26 -0.17 118.68 121.46 2pet s LEU 73 Ca 0.20 -0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 52.89 2pet s LEU 73 Cb 0.06 -1.76 0.08 0.00 0.03 0.00 0.00 46.19 44.60 2pet s LEU 73 CO 0.00 0.21 0.52 -0.90 0.23 0.00 0.00 176.35 176.41 2pet n ASP 74 N 0.97 0.35 0.09 2.29 5.68 -0.47 -4.89 116.55 120.57 2pet n ASP 74 Ca -0.14 -1.38 0.11 0.00 -0.50 0.00 0.00 54.79 52.87 2pet n ASP 74 Cb 0.52 -0.37 0.44 0.00 -1.14 0.00 0.00 41.12 40.57 2pet n ASP 74 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2pet n SER 75 N -3.15 0.46 -1.24 -1.12 3.41 -1.26 -1.22 113.62 109.50 2pet n SER 75 Ca 0.07 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.41 2pet n SER 75 Cb 0.26 -0.71 0.25 0.00 -0.26 0.00 0.00 64.21 63.76 2pet n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pet n GLN 76 N -2.00 2.60 -0.81 4.33 6.02 -1.26 -4.96 117.38 121.29 2pet n GLN 76 Ca 0.03 -2.44 0.00 0.00 -0.01 0.00 0.00 57.00 54.58 2pet n GLN 76 Cb 0.23 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 29.95 2pet n GLN 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pet n GLY 77 N 1.57 0.58 3.83 1.08 0.00 -0.36 -4.99 105.19 106.90 2pet n GLY 77 Ca 0.21 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 2pet n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pet s ARG 78 N -0.41 4.11 -0.16 1.61 0.52 -1.26 -4.76 118.95 118.60 2pet s ARG 78 Ca 0.00 0.95 -0.27 0.00 -0.52 0.00 0.00 55.73 55.89 2pet s ARG 78 Cb 0.00 -2.25 -0.01 0.00 0.52 0.00 0.00 34.95 33.21 2pet s ARG 78 CO 0.00 -0.02 0.91 -1.17 0.02 0.00 0.00 175.30 175.04 2pet s LEU 79 N -3.30 4.19 -0.23 2.53 2.96 -1.18 -1.37 118.68 122.27 2pet s LEU 79 Ca 0.59 1.31 -0.06 0.00 -0.22 0.00 0.00 54.13 55.74 2pet s LEU 79 Cb -0.09 -3.37 -0.03 0.00 0.50 0.00 0.00 46.19 43.20 2pet s LEU 79 CO 0.18 -0.45 0.04 -0.69 -1.32 0.00 0.00 176.35 174.11 2pet s VAL 80 N 2.25 4.13 -0.50 1.68 1.01 0.76 -0.81 120.40 128.92 2pet s VAL 80 Ca 0.42 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 2pet s VAL 80 Cb -0.17 -2.91 0.13 0.00 0.00 0.00 0.00 36.38 33.44 2pet s VAL 80 CO 0.13 0.38 0.29 -0.76 0.00 0.00 0.00 175.10 175.13 2pet s LEU 81 N 1.40 5.12 0.31 3.92 1.02 0.47 -2.51 118.68 128.41 2pet s LEU 81 Ca 0.05 -2.44 -0.28 0.00 0.02 0.00 0.00 54.13 51.48 2pet s LEU 81 Cb -0.15 -1.81 -0.09 0.00 0.02 0.00 0.00 46.19 44.16 2pet s LEU 81 CO 0.02 -0.44 1.04 0.00 0.02 0.00 0.00 176.35 177.00 2pet s ALA 82 N 0.53 3.29 -0.72 4.21 0.00 -1.26 -1.45 121.76 126.36 2pet s ALA 82 Ca 0.13 0.76 -0.04 0.00 0.00 0.00 0.00 51.96 52.80 2pet s ALA 82 Cb -0.22 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.63 2pet s ALA 82 CO -0.04 -0.07 0.66 0.39 0.00 0.00 0.00 175.76 176.70 2pet n GLU 83 N 0.87 -1.53 -1.83 0.00 1.02 -1.21 -4.64 120.64 113.32 2pet n GLU 83 Ca 0.01 1.31 -0.40 0.00 -0.02 0.00 0.00 57.16 58.05 2pet n GLU 83 Cb 0.47 -4.38 0.01 0.00 -0.02 0.00 0.00 31.44 27.52 2pet n GLU 83 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pet s ALA 84 N -2.87 3.41 0.28 0.62 0.00 0.52 -4.56 121.76 119.15 2pet s ALA 84 Ca 0.05 1.49 0.05 0.00 0.00 0.00 0.00 51.96 53.55 2pet s ALA 84 Cb -0.01 -3.59 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 2pet s ALA 84 CO 0.81 -1.08 -0.02 -0.65 0.00 0.00 0.00 175.76 174.82 2pet s GLN 85 N -2.25 1.53 0.43 0.00 -0.21 -1.26 -0.47 119.66 117.43 2pet s GLN 85 Ca 0.56 -1.80 0.09 0.00 0.02 0.00 0.00 55.36 54.24 2pet s GLN 85 Cb -0.44 -0.98 0.93 0.00 1.00 0.00 0.00 33.01 33.52 2pet s GLN 85 CO 0.59 -0.05 2.06 -0.24 -2.12 0.00 0.00 175.29 175.53 2pet h VAL 86 N 2.27 1.06 0.00 1.09 3.04 -1.91 0.32 116.25 122.12 2pet h VAL 86 Ca -0.40 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 2pet h VAL 86 Cb 1.23 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.06 2pet h VAL 86 CO 0.68 0.09 0.03 1.23 -1.01 0.00 0.00 177.57 178.58 2pet h GLY 87 N 0.47 0.00 0.74 3.17 0.00 -1.93 -1.18 103.07 104.33 2pet h GLY 87 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2pet h GLY 87 CO -0.04 0.00 -0.12 1.22 0.00 0.00 0.00 176.54 177.60 2pet n ASP 88 N -2.99 0.59 -4.57 0.19 8.00 0.10 -4.73 116.55 113.14 2pet n ASP 88 Ca -0.03 -0.68 -0.41 0.00 0.71 0.00 0.00 54.79 54.38 2pet n ASP 88 Cb 0.09 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 2pet n ASP 88 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2pet s GLU 89 N -2.44 3.18 -0.01 -1.24 2.12 -0.45 -4.75 118.70 115.11 2pet s GLU 89 Ca 0.29 0.55 -0.18 0.00 0.36 0.00 0.00 54.97 56.00 2pet s GLU 89 Cb 0.20 -4.18 0.06 0.00 0.26 0.00 0.00 34.13 30.47 2pet s GLU 89 CO 0.47 -2.08 0.79 2.89 -0.54 0.00 0.00 175.26 176.80 2pet n ARG 90 N 8.76 0.12 -3.85 4.30 1.85 -1.06 -5.01 116.66 121.77 2pet n ARG 90 Ca 0.14 -0.49 -0.36 0.00 -1.00 0.00 0.00 57.85 56.15 2pet n ARG 90 Cb 0.49 0.80 -0.06 0.00 -1.05 0.00 0.00 32.46 32.65 2pet n ARG 90 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2pet s ASP 91 N -2.76 6.42 -0.06 2.89 1.01 -1.26 -1.24 116.67 121.67 2pet s ASP 91 Ca 0.19 0.49 0.04 0.00 0.71 0.00 0.00 52.55 53.98 2pet s ASP 91 Cb -0.01 -2.07 0.00 0.00 1.01 0.00 0.00 42.92 41.85 2pet s ASP 91 CO -0.00 0.37 -0.18 -0.31 0.21 0.00 0.00 175.17 175.25 2pet s TYR 92 N -1.10 1.94 -0.15 4.23 2.02 0.66 -2.31 117.35 122.65 2pet s TYR 92 Ca 0.18 -0.67 -0.03 0.00 -0.37 0.00 0.00 57.07 56.19 2pet s TYR 92 Cb -0.12 -1.32 -0.03 0.00 -0.40 0.00 0.00 41.96 40.09 2pet s TYR 92 CO 0.08 -0.26 -0.05 0.08 -1.57 0.00 0.00 175.55 173.82 2pet s VAL 93 N 0.25 3.78 -0.17 0.71 1.01 -0.13 -0.82 120.40 125.03 2pet s VAL 93 Ca -0.10 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 2pet s VAL 93 Cb -0.14 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 2pet s VAL 93 CO 0.04 0.51 -0.00 0.00 0.00 0.00 0.00 175.10 175.65 2pet s VAL 95 N 0.43 2.35 -0.20 0.00 1.01 -0.24 -1.21 120.40 122.55 2pet s VAL 95 Ca -0.01 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 2pet s VAL 95 Cb -0.14 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2pet s VAL 95 CO 0.02 0.54 0.04 0.54 0.00 0.00 0.00 175.10 176.24 2pet s VAL 96 N 0.61 4.37 -0.26 2.92 0.11 -0.10 -0.46 120.40 127.60 2pet s VAL 96 Ca -0.11 -0.17 -0.06 0.00 -2.93 0.00 0.00 61.98 58.71 2pet s VAL 96 Cb -0.16 -2.98 -0.01 0.00 -1.53 0.00 0.00 36.38 31.70 2pet s VAL 96 CO 0.03 0.43 0.03 -0.13 -3.33 0.00 0.00 175.10 172.13 2pet s ARG 97 N 0.79 3.34 -0.15 1.54 0.52 0.76 -1.96 118.95 123.80 2pet s ARG 97 Ca 0.02 -0.67 0.15 0.00 -0.52 0.00 0.00 55.73 54.71 2pet s ARG 97 Cb -0.14 -3.22 0.34 0.00 0.52 0.00 0.00 34.95 32.44 2pet s ARG 97 CO 0.02 -0.29 1.17 0.00 0.02 0.00 0.00 175.30 176.23 2pet n ALA 98 N 4.85 2.86 -0.69 2.13 0.00 0.16 -0.13 120.51 129.70 2pet n ALA 98 Ca -0.16 -2.79 0.00 0.00 0.00 0.00 0.00 53.44 50.49 2pet n ALA 98 Cb 0.50 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2pet n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pet n GLY 99 N -1.06 2.52 0.34 0.00 0.00 -1.25 -1.82 105.19 103.92 2pet n GLY 99 Ca 0.15 -0.32 0.17 0.00 0.00 0.00 0.00 46.02 46.02 2pet n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pet h ALA 100 N -0.69 1.95 0.00 4.61 0.00 -1.99 0.43 119.26 123.57 2pet h ALA 100 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pet h ALA 100 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2pet h ALA 100 CO 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 178.93 2pet n ALA 101 N -2.41 2.17 0.00 0.00 0.00 -0.76 -5.00 120.51 114.51 2pet n ALA 101 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2pet n ALA 101 Cb 0.35 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2pet n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pet n GLY 102 N 1.13 -1.52 3.17 0.00 0.00 0.14 -0.97 105.19 107.14 2pet n GLY 102 Ca 0.06 -2.04 -0.14 0.00 0.00 0.00 0.00 46.02 43.90 2pet n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pet s THR 103 N 0.00 0.87 0.15 2.61 2.01 -1.26 -0.66 115.64 119.36 2pet s THR 103 Ca 0.00 -1.65 -0.16 0.00 0.31 0.00 0.00 61.69 60.19 2pet s THR 103 Cb 0.00 -1.36 0.03 0.00 0.01 0.00 0.00 72.50 71.18 2pet s THR 103 CO 0.00 -0.60 0.43 0.00 -0.69 0.00 0.00 174.62 173.77 2pet s ALA 104 N -2.56 -0.86 0.14 7.40 0.00 -0.83 -4.90 121.76 120.15 2pet s ALA 104 Ca 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 51.96 51.80 2pet s ALA 104 Cb -0.02 0.76 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 2pet s ALA 104 CO -0.01 -0.70 0.16 -1.83 0.00 0.00 0.00 175.76 173.38 2pet s GLU 105 N -3.84 1.01 -0.18 0.00 -1.05 -1.26 -0.92 118.70 112.46 2pet s GLU 105 Ca 0.06 -1.29 -0.22 0.00 -0.15 0.00 0.00 54.97 53.37 2pet s GLU 105 Cb 0.01 0.31 0.06 0.00 -0.44 0.00 0.00 34.13 34.06 2pet s GLU 105 CO -0.08 -0.33 0.58 0.00 0.95 0.00 0.00 175.26 176.39 2pet s ALA 106 N -4.00 -1.46 -0.02 -0.84 0.00 -0.35 -4.85 121.76 110.24 2pet s ALA 106 Ca 0.19 1.51 0.05 0.00 0.00 0.00 0.00 51.96 53.72 2pet s ALA 106 Cb 0.05 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 2pet s ALA 106 CO -0.00 -0.29 -0.16 0.99 0.00 0.00 0.00 175.76 176.30 2pet s THR 107 N -0.05 2.90 -0.01 0.00 2.01 -1.26 -1.31 115.64 117.92 2pet s THR 107 Ca -0.03 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.16 2pet s THR 107 Cb -0.04 -2.15 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 2pet s THR 107 CO 0.03 0.53 -0.17 0.00 -0.69 0.00 0.00 174.62 174.31 2pet s ALA 108 N -0.77 1.44 -0.12 7.40 0.00 0.00 -4.56 121.76 125.16 2pet s ALA 108 Ca 0.12 -0.76 -0.17 0.00 0.00 0.00 0.00 51.96 51.15 2pet s ALA 108 Cb -0.11 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2pet s ALA 108 CO 0.02 0.35 0.42 0.50 0.00 0.00 0.00 175.76 177.04 2pet s ARG 109 N -0.48 4.28 -0.23 0.00 6.06 -0.09 -0.25 118.95 128.25 2pet s ARG 109 Ca 0.06 0.34 -0.07 0.00 -2.50 0.00 0.00 55.73 53.56 2pet s ARG 109 Cb -0.07 -3.41 -0.03 0.00 0.06 0.00 0.00 34.95 31.49 2pet s ARG 109 CO -0.00 0.23 0.07 -1.17 -2.50 0.00 0.00 175.30 171.93 2pet s LEU 110 N 0.43 3.59 -0.10 -0.88 2.96 -0.37 -0.44 118.68 123.86 2pet s LEU 110 Ca 0.23 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 54.02 2pet s LEU 110 Cb -0.15 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 2pet s LEU 110 CO 0.09 0.03 -0.02 0.20 -1.32 0.00 0.00 176.35 175.33 2pet s ASN 111 N 1.22 5.06 -0.09 3.68 0.01 0.21 -2.55 114.94 122.48 2pet s ASN 111 Ca 0.05 0.06 0.04 0.00 -0.71 0.00 0.00 52.86 52.30 2pet s ASN 111 Cb -0.14 -1.49 -0.00 0.00 0.41 0.00 0.00 41.25 40.02 2pet s ASN 111 CO 0.04 0.33 -0.23 -0.69 -1.51 0.00 0.00 177.10 175.03 2pet s VAL 112 N -0.59 2.16 -0.13 1.60 1.01 -1.26 -1.56 120.40 121.63 2pet s VAL 112 Ca 0.10 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 2pet s VAL 112 Cb -0.12 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 2pet s VAL 112 CO 0.02 0.56 -0.07 -0.36 0.00 0.00 0.00 175.10 175.25 2pet s PHE 113 N 0.22 2.95 -0.14 5.22 0.08 -0.23 -4.51 117.98 121.57 2pet s PHE 113 Ca -0.15 -0.32 0.00 0.00 0.12 0.00 0.00 56.93 56.59 2pet s PHE 113 Cb -0.17 -1.88 0.02 0.00 -0.57 0.00 0.00 43.02 40.42 2pet s PHE 113 CO 0.08 -0.01 -0.13 0.00 -0.10 0.00 0.00 175.22 175.06 2pet s ALA 114 N 0.12 1.78 0.10 5.36 0.00 -0.01 -0.06 121.76 129.05 2pet s ALA 114 Ca -0.03 -0.85 -0.31 0.00 0.00 0.00 0.00 51.96 50.78 2pet s ALA 114 Cb -0.14 -1.03 -0.07 0.00 0.00 0.00 0.00 23.12 21.88 2pet s ALA 114 CO 0.03 -0.38 1.34 0.21 0.00 0.00 0.00 175.76 176.96 2pet s LYS 115 N 1.51 4.35 1.00 0.00 2.20 -1.26 -1.30 119.74 126.24 2pet s LYS 115 Ca 0.05 1.99 -0.12 0.00 -0.36 0.00 0.00 55.97 57.53 2pet s LYS 115 Cb -0.13 -3.27 0.19 0.00 -1.51 0.00 0.00 37.83 33.11 2pet s LYS 115 CO -0.10 -0.39 1.08 -1.25 -0.36 0.00 0.00 175.35 174.33 2pet s PRO 116 N 1.09 0.39 0.84 4.03 0.04 -1.26 -4.70 135.00 135.43 2pet s PRO 116 Ca 0.63 0.88 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 2pet s PRO 116 Cb -0.35 -1.70 0.09 0.00 0.04 0.00 0.00 34.50 32.58 2pet s PRO 116 CO 0.30 -2.85 1.09 -1.21 0.04 0.00 0.00 177.00 174.37 2pet s GLU 117 N -4.75 1.74 0.07 4.56 2.02 0.08 -4.93 118.70 117.49 2pet s GLU 117 Ca 0.66 0.77 -0.36 0.00 0.02 0.00 0.00 54.97 56.06 2pet s GLU 117 Cb -0.21 -1.87 -0.19 0.00 0.10 0.00 0.00 34.13 31.97 2pet s GLU 117 CO 0.60 -1.90 0.96 0.00 0.02 0.00 0.00 175.26 174.94 2pet n ALA 118 N -3.64 -3.03 -1.98 5.21 0.00 -1.26 -4.46 120.51 111.35 2pet n ALA 118 Ca 0.07 0.54 -0.41 0.00 0.00 0.00 0.00 53.44 53.64 2pet n ALA 118 Cb 0.55 -1.77 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 2pet n ALA 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2pet s THR 119 N -0.23 3.13 0.00 0.00 2.01 -1.26 -4.79 115.64 114.50 2pet s THR 119 Ca 0.82 0.94 0.04 0.00 0.31 0.00 0.00 61.69 63.80 2pet s THR 119 Cb -1.13 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 67.75 2pet s THR 119 CO 0.56 0.14 -0.08 -1.61 -0.69 0.00 0.00 174.62 172.94 2pet s GLU 120 N -0.18 2.51 0.05 4.92 2.02 -0.48 -4.37 118.70 123.16 2pet s GLU 120 Ca 0.57 -0.74 0.05 0.00 0.02 0.00 0.00 54.97 54.86 2pet s GLU 120 Cb -0.37 -2.47 -0.02 0.00 0.10 0.00 0.00 34.13 31.37 2pet s GLU 120 CO 0.39 0.60 -0.14 0.54 0.02 0.00 0.00 175.26 176.67 2pet s VAL 121 N -0.98 1.07 -0.40 2.63 0.11 -1.26 -0.88 120.40 120.69 2pet s VAL 121 Ca 0.17 -1.05 0.01 0.00 -2.93 0.00 0.00 61.98 58.17 2pet s VAL 121 Cb -0.11 -0.99 0.13 0.00 -1.53 0.00 0.00 36.38 33.88 2pet s VAL 121 CO 0.07 -0.06 0.20 -0.55 -3.33 0.00 0.00 175.10 171.42 2pet s SER 122 N -1.27 3.73 0.61 3.54 0.15 0.56 -4.97 113.70 116.04 2pet s SER 122 Ca 0.00 -2.35 -0.18 0.00 0.70 0.00 0.00 55.95 54.12 2pet s SER 122 Cb -0.08 -0.97 -0.03 0.00 -1.71 0.00 0.00 66.02 63.23 2pet s SER 122 CO 0.01 -0.31 1.18 -2.84 1.20 0.00 0.00 173.24 172.48 2pet s PRO 123 N 0.72 2.94 -0.53 5.44 0.02 -1.26 -1.30 135.00 141.02 2pet s PRO 123 Ca 0.16 1.72 -0.28 0.00 0.02 0.00 0.00 61.00 62.61 2pet s PRO 123 Cb -0.23 -1.94 0.02 0.00 0.02 0.00 0.00 34.50 32.38 2pet s PRO 123 CO -0.06 -1.21 1.26 1.21 -0.33 0.00 0.00 177.00 177.87 2pet s ASN 124 N -1.80 6.40 0.00 2.53 2.47 0.49 -4.83 114.94 120.19 2pet s ASN 124 Ca 0.75 0.31 0.23 0.00 0.42 0.00 0.00 52.86 54.57 2pet s ASN 124 Cb -0.28 -2.55 0.23 0.00 -1.45 0.00 0.00 41.25 37.20 2pet s ASN 124 CO 0.34 -1.48 1.27 0.29 -3.72 0.00 0.00 177.10 173.80 2pet n LYS 125 N 8.33 2.31 -0.02 0.43 5.02 -1.26 -4.54 118.16 128.43 2pet n LYS 125 Ca 0.11 -1.97 -0.19 0.00 -2.02 0.00 0.00 58.31 54.24 2pet n LYS 125 Cb 0.49 -1.46 -0.14 0.00 -0.02 0.00 0.00 35.03 33.90 2pet n LYS 125 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pet n GLY 126 N 1.35 -0.59 0.00 0.72 0.00 -1.26 -4.80 105.19 100.61 2pet n GLY 126 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2pet n GLY 126 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pet n THR 127 N -3.38 0.00 -2.21 2.61 -2.24 -1.26 -5.01 114.28 102.78 2pet n THR 127 Ca -0.32 -0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 60.78 2pet n THR 127 Cb 1.04 1.34 -0.03 0.00 -2.10 0.00 0.00 70.33 70.59 2pet n THR 127 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2pet s LEU 128 N -0.28 4.45 -0.09 3.22 1.43 -1.26 -4.85 118.68 121.29 2pet s LEU 128 Ca 0.00 2.52 -0.07 0.00 -1.03 0.00 0.00 54.13 55.55 2pet s LEU 128 Cb 0.00 -3.63 0.03 0.00 0.03 0.00 0.00 46.19 42.62 2pet s LEU 128 CO 0.00 -0.46 0.24 -0.55 0.23 0.00 0.00 176.35 175.81 2pet s SER 129 N -0.29 -0.25 0.00 2.29 0.15 -1.26 -0.04 113.70 114.29 2pet s SER 129 Ca 0.51 0.49 0.25 0.00 0.70 0.00 0.00 55.95 57.89 2pet s SER 129 Cb -0.37 0.46 1.48 0.00 -1.71 0.00 0.00 66.02 65.87 2pet s SER 129 CO 0.46 -0.11 1.95 1.33 1.20 0.00 0.00 173.24 178.07 2pet n VAL 130 N 3.35 0.00 0.28 4.45 0.24 -1.26 -2.54 118.33 122.85 2pet n VAL 130 Ca -0.17 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.20 2pet n VAL 130 Cb 0.57 -0.39 0.10 0.00 -1.47 0.00 0.00 33.84 32.65 2pet n VAL 130 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2pet n MET 131 N -0.89 1.51 -3.22 7.34 2.81 -1.26 -4.67 117.12 118.74 2pet n MET 131 Ca 0.19 -1.57 -0.39 0.00 -1.81 0.00 0.00 57.70 54.11 2pet n MET 131 Cb 0.09 -1.27 -0.06 0.00 -0.71 0.00 0.00 33.22 31.26 2pet n MET 131 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2pet s GLU 132 N -1.05 4.25 -1.23 0.03 2.56 -1.05 -5.00 118.70 117.21 2pet s GLU 132 Ca 0.19 0.50 -0.09 0.00 0.00 0.00 0.00 54.97 55.58 2pet s GLU 132 Cb 0.12 -3.53 0.20 0.00 2.00 0.00 0.00 34.13 32.92 2pet s GLU 132 CO 0.17 -0.08 1.72 -3.47 -0.56 0.00 0.00 175.26 173.04 2pet n ASP 133 N 4.50 5.40 -3.64 -1.70 2.03 -1.26 -4.78 116.55 117.09 2pet n ASP 133 Ca -0.04 -3.16 -0.02 0.00 0.52 0.00 0.00 54.79 52.09 2pet n ASP 133 Cb 0.51 -1.44 -0.01 0.00 -0.72 0.00 0.00 41.12 39.45 2pet n ASP 133 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2pet s SER 134 N 0.54 -0.14 -0.36 1.67 1.04 -1.26 -5.11 113.70 110.08 2pet s SER 134 Ca 0.38 -0.18 -0.28 0.00 0.48 0.00 0.00 55.95 56.35 2pet s SER 134 Cb 0.07 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.49 2pet s SER 134 CO 0.02 -0.51 1.06 0.00 0.98 0.00 0.00 173.24 174.79 2pet s ALA 135 N -2.77 3.41 0.25 5.32 0.00 -1.25 -4.33 121.76 122.40 2pet s ALA 135 Ca 0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 51.96 51.86 2pet s ALA 135 Cb 0.01 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 2pet s ALA 135 CO -0.03 -1.66 0.45 -0.65 0.00 0.00 0.00 175.76 173.87 2pet s GLN 136 N 3.78 3.51 -0.54 0.00 -0.21 -0.28 -4.63 119.66 121.30 2pet s GLN 136 Ca 0.45 -0.35 -0.28 0.00 0.02 0.00 0.00 55.36 55.20 2pet s GLN 136 Cb -0.11 -2.78 0.02 0.00 1.00 0.00 0.00 33.01 31.14 2pet s GLN 136 CO 0.19 0.32 1.37 -2.00 -2.12 0.00 0.00 175.29 173.05 2pet s GLU 137 N -3.68 3.38 -0.10 2.91 2.12 -1.26 -0.76 118.70 121.31 2pet s GLU 137 Ca 0.39 0.48 -0.23 0.00 0.36 0.00 0.00 54.97 55.97 2pet s GLU 137 Cb -0.10 -4.09 -0.28 0.00 0.26 0.00 0.00 34.13 29.92 2pet s GLU 137 CO 0.31 -1.83 0.72 0.82 -0.54 0.00 0.00 175.26 174.73 2pet h ILE 138 N 6.34 1.44 -1.62 -3.70 1.08 -0.90 -3.42 117.51 116.74 2pet h ILE 138 Ca -0.26 -2.42 0.19 0.00 -0.39 0.00 0.00 64.86 61.97 2pet h ILE 138 Cb 1.09 3.06 -0.20 0.00 -3.07 0.00 0.00 36.82 37.70 2pet h ILE 138 CO 1.17 0.64 0.71 0.00 -0.69 0.00 0.00 178.15 179.98 2pet s ALA 139 N -2.37 -2.00 -0.02 1.87 0.00 -1.24 -0.38 121.76 117.62 2pet s ALA 139 Ca -0.18 1.51 0.07 0.00 0.00 0.00 0.00 51.96 53.36 2pet s ALA 139 Cb 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2pet s ALA 139 CO 0.75 -0.52 -0.23 0.99 0.00 0.00 0.00 175.76 176.76 2pet s THR 140 N -2.15 1.80 -0.04 0.00 2.01 -0.42 -2.10 115.64 114.74 2pet s THR 140 Ca 0.06 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 61.13 2pet s THR 140 Cb -0.01 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 2pet s THR 140 CO -0.05 0.50 -0.18 0.00 -0.69 0.00 0.00 174.62 174.20 2pet s ASN 142 N -0.65 1.74 -0.26 0.00 -0.87 -0.06 -1.01 114.94 113.82 2pet s ASN 142 Ca 0.10 -0.27 0.01 0.00 -1.57 0.00 0.00 52.86 51.13 2pet s ASN 142 Cb -0.11 -0.77 0.07 0.00 -0.02 0.00 0.00 41.25 40.42 2pet s ASN 142 CO 0.00 -0.02 -0.03 -0.55 -2.57 0.00 0.00 177.10 173.94 2pet s SER 143 N 0.95 4.11 0.04 -1.22 0.15 -0.46 -1.39 113.70 115.88 2pet s SER 143 Ca -0.09 -1.42 0.02 0.00 0.70 0.00 0.00 55.95 55.16 2pet s SER 143 Cb -0.15 -1.28 -0.04 0.00 -1.71 0.00 0.00 66.02 62.85 2pet s SER 143 CO 0.00 -0.27 0.04 -0.13 1.20 0.00 0.00 173.24 174.08 2pet s ARG 144 N 1.29 2.81 -1.03 5.44 0.52 -1.26 -0.87 118.95 125.85 2pet s ARG 144 Ca -0.02 -0.66 -0.01 0.00 -0.52 0.00 0.00 55.73 54.52 2pet s ARG 144 Cb -0.19 -2.69 -0.01 0.00 0.52 0.00 0.00 34.95 32.58 2pet s ARG 144 CO -0.08 0.60 0.86 0.09 0.02 0.00 0.00 175.30 176.79 2pet n ASN 145 N 0.93 -2.79 -4.76 0.23 3.02 -1.00 -0.74 115.26 110.17 2pet n ASN 145 Ca -0.12 -0.56 -0.29 0.00 -0.03 0.00 0.00 54.58 53.58 2pet n ASN 145 Cb 0.52 -4.57 -0.07 0.00 -0.61 0.00 0.00 39.78 35.05 2pet n ASN 145 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2pet s GLY 146 N -4.03 2.65 -0.26 7.41 0.00 0.11 -4.30 107.32 108.90 2pet s GLY 146 Ca 0.07 -1.30 -0.17 0.00 0.00 0.00 0.00 44.72 43.33 2pet s GLY 146 CO 0.64 -2.07 0.65 0.21 0.00 0.00 0.00 173.10 172.53 2pet s ASN 147 N -3.93 -0.85 0.99 1.64 2.47 -0.42 -0.31 114.94 114.54 2pet s ASN 147 Ca 0.24 1.41 0.00 0.00 0.42 0.00 0.00 52.86 54.94 2pet s ASN 147 Cb 0.03 1.31 0.00 0.00 -1.45 0.00 0.00 41.25 41.14 2pet s ASN 147 CO 0.14 -0.23 0.00 -0.81 -3.72 0.00 0.00 177.10 172.47 2pet n PRO 148 N 3.98 -0.84 -1.84 0.43 -0.04 -1.26 -0.83 135.00 134.60 2pet n PRO 148 Ca -0.19 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.86 2pet n PRO 148 Cb 0.58 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.02 2pet n PRO 148 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pet s ALA 149 N -3.14 3.68 0.99 0.55 0.00 -1.26 -4.84 121.76 117.75 2pet s ALA 149 Ca 0.00 1.52 -0.14 0.00 0.00 0.00 0.00 51.96 53.34 2pet s ALA 149 Cb 0.00 -3.62 0.18 0.00 0.00 0.00 0.00 23.12 19.69 2pet s ALA 149 CO 0.00 -0.94 1.13 -1.25 0.00 0.00 0.00 175.76 174.70 2pet s PRO 150 N -0.85 0.46 -0.01 0.00 0.04 -1.26 -4.80 135.00 128.57 2pet s PRO 150 Ca 0.60 0.23 0.08 0.00 0.04 0.00 0.00 61.00 61.94 2pet s PRO 150 Cb -0.46 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 2pet s PRO 150 CO 0.50 -2.65 -0.25 0.15 0.04 0.00 0.00 177.00 174.80 2pet s LYS 151 N -5.26 1.98 -0.09 4.56 1.02 -0.35 -4.93 119.74 116.66 2pet s LYS 151 Ca 0.66 -0.90 -0.01 0.00 0.02 0.00 0.00 55.97 55.74 2pet s LYS 151 Cb -0.14 -1.93 -0.03 0.00 -0.52 0.00 0.00 37.83 35.20 2pet s LYS 151 CO 0.55 0.53 -0.04 0.42 -0.92 0.00 0.00 175.35 175.89 2pet s ILE 152 N -0.60 3.94 0.17 2.17 1.01 -1.26 -0.08 121.20 126.54 2pet s ILE 152 Ca 0.10 -0.38 0.10 0.00 0.00 0.00 0.00 60.65 60.47 2pet s ILE 152 Cb -0.10 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 2pet s ILE 152 CO -0.01 0.58 -0.23 -0.89 0.00 0.00 0.00 174.94 174.39 2pet s THR 153 N -0.57 2.14 0.16 2.92 2.01 -0.57 -4.97 115.64 116.76 2pet s THR 153 Ca 0.09 -1.91 0.09 0.00 0.31 0.00 0.00 61.69 60.27 2pet s THR 153 Cb -0.12 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 2pet s THR 153 CO 0.02 -0.12 -0.13 0.26 -0.69 0.00 0.00 174.62 173.96 2pet s TRP 154 N -1.60 2.59 0.04 4.92 0.52 -1.26 -0.88 118.94 123.26 2pet s TRP 154 Ca 0.17 -0.24 0.03 0.00 0.02 0.00 0.00 56.10 56.08 2pet s TRP 154 Cb -0.08 -1.30 -0.02 0.00 -1.15 0.00 0.00 33.47 30.92 2pet s TRP 154 CO 0.08 0.47 -0.10 0.71 0.02 0.00 0.00 176.95 178.13 2pet s TYR 155 N -1.53 0.86 -0.04 -1.98 2.02 0.06 0.01 117.35 116.76 2pet s TYR 155 Ca 0.23 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 2pet s TYR 155 Cb -0.09 -0.51 0.03 0.00 -0.40 0.00 0.00 41.96 40.99 2pet s TYR 155 CO 0.13 -0.02 -0.01 0.50 -1.57 0.00 0.00 175.55 174.58 2pet s ARG 156 N -1.38 0.46 -1.60 -0.62 3.52 -0.12 -2.30 118.95 116.91 2pet s ARG 156 Ca -0.05 0.05 -0.15 0.00 -0.13 0.00 0.00 55.73 55.45 2pet s ARG 156 Cb -0.09 -0.64 0.11 0.00 -1.56 0.00 0.00 34.95 32.78 2pet s ARG 156 CO 0.01 -0.15 0.84 0.09 -0.81 0.00 0.00 175.30 175.28 2pet n ASN 157 N 4.30 -3.65 0.00 -2.12 3.02 0.59 -0.92 115.26 116.47 2pet n ASN 157 Ca -0.23 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 2pet n ASN 157 Cb 0.50 -3.30 0.00 0.00 -0.61 0.00 0.00 39.78 36.38 2pet n ASN 157 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pet n GLY 158 N -1.57 1.19 3.62 7.41 0.00 -1.26 -5.00 105.19 109.57 2pet n GLY 158 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2pet n GLY 158 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pet s GLN 159 N -0.07 3.81 0.24 1.61 0.74 -0.10 -5.06 119.66 120.82 2pet s GLN 159 Ca 0.00 -0.38 -0.31 0.00 0.05 0.00 0.00 55.36 54.72 2pet s GLN 159 Cb 0.00 -3.11 -0.13 0.00 1.10 0.00 0.00 33.01 30.87 2pet s GLN 159 CO 0.00 0.32 1.48 -2.13 -0.55 0.00 0.00 175.29 174.42 2pet n ARG 160 N 3.35 2.22 -3.12 1.67 0.63 -1.26 -0.94 116.66 119.20 2pet n ARG 160 Ca -0.17 0.79 -0.40 0.00 -0.92 0.00 0.00 57.85 57.16 2pet n ARG 160 Cb 0.52 -2.50 -0.05 0.00 0.45 0.00 0.00 32.46 30.88 2pet n ARG 160 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2pet s LEU 161 N 0.13 4.23 -1.07 6.15 1.43 0.10 -4.86 118.68 124.81 2pet s LEU 161 Ca 0.69 0.97 -0.13 0.00 -1.03 0.00 0.00 54.13 54.63 2pet s LEU 161 Cb -0.62 -2.93 0.21 0.00 0.03 0.00 0.00 46.19 42.88 2pet s LEU 161 CO 0.47 -0.17 1.17 -1.61 0.23 0.00 0.00 176.35 176.44 2pet s GLU 162 N 1.26 3.96 -0.09 1.70 2.02 -1.26 -4.62 118.70 121.66 2pet s GLU 162 Ca 0.32 -2.62 -0.00 0.00 0.02 0.00 0.00 54.97 52.68 2pet s GLU 162 Cb -0.16 -4.77 -0.03 0.00 0.10 0.00 0.00 34.13 29.27 2pet s GLU 162 CO 0.13 -1.52 -0.07 0.14 0.02 0.00 0.00 175.26 173.96 2pet s VAL 163 N 0.63 3.65 0.99 2.63 -7.23 -1.26 -5.05 120.40 114.77 2pet s VAL 163 Ca 0.33 -0.48 -0.17 0.00 -1.81 0.00 0.00 61.98 59.85 2pet s VAL 163 Cb -0.07 -2.52 0.21 0.00 0.56 0.00 0.00 36.38 34.57 2pet s VAL 163 CO -0.06 0.57 1.31 -2.16 -0.31 0.00 0.00 175.10 174.45 2pet s PRO 164 N -0.42 0.39 0.09 4.82 0.04 -1.26 -4.59 135.00 134.07 2pet s PRO 164 Ca 0.06 -0.40 0.18 0.00 0.04 0.00 0.00 61.00 60.89 2pet s PRO 164 Cb -0.12 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 2pet s PRO 164 CO 0.02 -2.58 0.86 1.33 0.04 0.00 0.00 177.00 176.67 2pet n VAL 165 N -3.89 1.03 -2.09 -0.36 0.24 -1.26 -1.42 118.33 110.58 2pet n VAL 165 Ca 0.15 -0.65 -0.41 0.00 -2.04 0.00 0.00 64.34 61.38 2pet n VAL 165 Cb 0.59 -0.62 -0.03 0.00 -1.47 0.00 0.00 33.84 32.32 2pet n VAL 165 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2pet s GLU 166 N -3.04 4.31 0.31 7.34 8.01 -1.26 -4.53 118.70 129.84 2pet s GLU 166 Ca -0.03 2.21 -0.29 0.00 0.01 0.00 0.00 54.97 56.87 2pet s GLU 166 Cb 0.09 -3.15 -0.11 0.00 -4.31 0.00 0.00 34.13 26.65 2pet s GLU 166 CO 0.81 -0.38 1.51 -1.64 0.01 0.00 0.00 175.26 175.57 2pet s MET 167 N -0.08 4.17 0.22 1.61 -1.94 -1.26 -4.75 119.30 117.26 2pet s MET 167 Ca 0.59 2.49 -0.22 0.00 -1.71 0.00 0.00 55.69 56.85 2pet s MET 167 Cb -0.40 -3.03 0.04 0.00 2.01 0.00 0.00 34.83 33.46 2pet s MET 167 CO 0.40 -0.52 0.66 0.54 -0.01 0.00 0.00 175.02 176.09 2pet s ASN 168 N 0.20 -0.40 0.27 3.03 2.20 -1.26 -5.06 114.94 113.91 2pet s ASN 168 Ca 0.58 -0.33 0.22 0.00 -0.94 0.00 0.00 52.86 52.39 2pet s ASN 168 Cb -0.46 0.67 1.02 0.00 -2.00 0.00 0.00 41.25 40.49 2pet s ASN 168 CO 0.52 -1.17 1.66 -2.65 -2.94 0.00 0.00 177.10 172.51 2pet n PRO 169 N -0.42 0.16 -0.10 3.55 -0.02 -1.26 -4.02 135.00 132.88 2pet n PRO 169 Ca -0.10 0.52 -0.16 0.00 -2.02 0.00 0.00 63.50 61.73 2pet n PRO 169 Cb 0.62 -1.89 -0.09 0.00 -0.02 0.00 0.00 33.50 32.12 2pet n PRO 169 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2pet n GLU 170 N -2.20 0.49 0.00 -0.52 -0.58 -1.26 -3.84 120.64 112.72 2pet n GLU 170 Ca 0.01 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 2pet n GLU 170 Cb 0.13 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 2pet n GLU 170 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pet n GLY 171 N 2.33 2.04 3.69 0.62 0.00 -1.26 -0.87 105.19 111.74 2pet n GLY 171 Ca -0.37 -0.20 -0.07 0.00 0.00 0.00 0.00 46.02 45.38 2pet n GLY 171 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2pet s TYR 172 N -1.51 -0.25 -0.00 1.61 1.13 -0.36 -4.29 117.35 113.68 2pet s TYR 172 Ca 0.00 -0.06 0.04 0.00 -1.41 0.00 0.00 57.07 55.63 2pet s TYR 172 Cb 0.00 0.63 -0.01 0.00 -1.10 0.00 0.00 41.96 41.48 2pet s TYR 172 CO 0.00 -0.91 -0.11 0.00 -2.51 0.00 0.00 175.55 172.02 2pet s MET 173 N -3.52 0.89 0.28 -3.49 0.23 -0.51 -0.42 119.30 112.76 2pet s MET 173 Ca 0.09 -0.44 0.08 0.00 -1.03 0.00 0.00 55.69 54.39 2pet s MET 173 Cb -0.03 -0.86 -0.04 0.00 -1.53 0.00 0.00 34.83 32.37 2pet s MET 173 CO -0.00 0.23 0.16 0.95 -2.03 0.00 0.00 175.02 174.32 2pet s THR 174 N -0.34 3.87 0.03 3.16 -4.23 0.02 -4.20 115.64 113.95 2pet s THR 174 Ca 0.04 -1.56 -0.11 0.00 -1.18 0.00 0.00 61.69 58.87 2pet s THR 174 Cb -0.05 -3.17 0.01 0.00 1.34 0.00 0.00 72.50 70.63 2pet s THR 174 CO -0.00 -0.31 0.24 -0.94 -0.54 0.00 0.00 174.62 173.07 2pet s SER 175 N -3.83 -0.05 -0.01 3.99 1.04 -1.26 -2.14 113.70 111.44 2pet s SER 175 Ca 0.34 -0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.54 2pet s SER 175 Cb -0.06 0.31 0.01 0.00 0.10 0.00 0.00 66.02 66.37 2pet s SER 175 CO 0.24 -0.55 -0.01 -0.60 0.98 0.00 0.00 173.24 173.30 2pet s ARG 176 N -2.32 0.19 -0.08 4.02 3.52 -0.47 -5.00 118.95 118.81 2pet s ARG 176 Ca -0.07 -0.00 -0.01 0.00 -0.13 0.00 0.00 55.73 55.52 2pet s ARG 176 Cb -0.02 -0.27 -0.03 0.00 -1.56 0.00 0.00 34.95 33.07 2pet s ARG 176 CO -0.02 -0.03 -0.02 0.99 -0.81 0.00 0.00 175.30 175.41 2pet s THR 177 N 0.39 4.15 0.01 4.11 2.01 -1.26 -1.37 115.64 123.68 2pet s THR 177 Ca -0.04 -0.31 0.05 0.00 0.31 0.00 0.00 61.69 61.71 2pet s THR 177 Cb -0.06 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 69.70 2pet s THR 177 CO -0.01 0.60 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.66 2pet s VAL 178 N -0.81 1.32 -0.27 3.82 1.01 -0.18 -4.99 120.40 120.30 2pet s VAL 178 Ca 0.12 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.09 2pet s VAL 178 Cb -0.11 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 2pet s VAL 178 CO 0.02 0.25 0.42 -0.60 0.00 0.00 0.00 175.10 175.19 2pet s ARG 179 N -0.71 4.03 0.85 2.72 6.06 -1.26 -1.19 118.95 129.45 2pet s ARG 179 Ca 0.05 0.13 -0.12 0.00 -2.50 0.00 0.00 55.73 53.30 2pet s ARG 179 Cb -0.07 -3.65 0.10 0.00 0.06 0.00 0.00 34.95 31.38 2pet s ARG 179 CO 0.00 -0.30 1.10 -1.21 -2.50 0.00 0.00 175.30 172.39 2pet s GLU 180 N 2.14 1.68 0.50 5.12 0.41 0.94 -4.89 118.70 124.61 2pet s GLU 180 Ca 0.17 0.69 0.22 0.00 -0.41 0.00 0.00 54.97 55.63 2pet s GLU 180 Cb -0.16 -1.87 1.32 0.00 -1.78 0.00 0.00 34.13 31.64 2pet s GLU 180 CO 0.10 -1.91 2.07 0.00 -0.49 0.00 0.00 175.26 175.03 2pet h ALA 181 N -1.30 1.52 0.00 5.21 0.00 -1.97 0.36 119.26 123.08 2pet h ALA 181 Ca -0.48 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2pet h ALA 181 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2pet h ALA 181 CO 0.58 0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.85 2pet n SER 182 N -3.99 0.64 0.00 0.00 3.41 -1.26 -4.88 113.62 107.54 2pet n SER 182 Ca -0.02 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 2pet n SER 182 Cb 0.21 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 2pet n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pet n GLY 183 N -0.06 1.35 3.77 5.00 0.00 0.12 -4.78 105.19 110.58 2pet n GLY 183 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2pet n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pet s LEU 184 N 0.00 2.21 -0.02 0.99 1.43 -1.26 -4.71 118.68 117.32 2pet s LEU 184 Ca 0.00 1.18 0.07 0.00 -1.03 0.00 0.00 54.13 54.36 2pet s LEU 184 Cb 0.00 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 2pet s LEU 184 CO 0.00 -2.42 -0.24 -0.76 0.23 0.00 0.00 176.35 173.16 2pet s LEU 185 N -6.01 2.15 0.03 1.79 1.43 0.57 -0.04 118.68 118.61 2pet s LEU 185 Ca 0.63 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.35 2pet s LEU 185 Cb -0.15 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.67 2pet s LEU 185 CO 0.55 0.32 -0.16 -0.44 0.23 0.00 0.00 176.35 176.85 2pet s SER 186 N -0.62 1.84 0.01 2.29 0.01 -0.34 -0.71 113.70 116.18 2pet s SER 186 Ca 0.10 -0.44 0.08 0.00 1.31 0.00 0.00 55.95 57.01 2pet s SER 186 Cb -0.10 -0.14 -0.02 0.00 0.21 0.00 0.00 66.02 65.97 2pet s SER 186 CO -0.01 0.08 -0.26 -0.22 0.41 0.00 0.00 173.24 173.25 2pet s LEU 187 N -1.02 2.10 -0.03 2.44 2.96 -0.05 -1.01 118.68 124.07 2pet s LEU 187 Ca 0.03 -0.52 0.07 0.00 -0.22 0.00 0.00 54.13 53.49 2pet s LEU 187 Cb -0.08 -1.31 -0.01 0.00 0.50 0.00 0.00 46.19 45.29 2pet s LEU 187 CO 0.01 0.29 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.22 2pet s THR 188 N -0.69 1.79 -0.00 3.68 2.01 -0.47 -1.35 115.64 120.61 2pet s THR 188 Ca 0.11 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.17 2pet s THR 188 Cb -0.10 -1.50 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 2pet s THR 188 CO 0.00 0.51 -0.07 -0.55 -0.69 0.00 0.00 174.62 173.82 2pet s SER 189 N -0.41 0.84 -0.06 3.53 0.15 -0.18 -1.37 113.70 116.20 2pet s SER 189 Ca 0.05 -0.14 0.06 0.00 0.70 0.00 0.00 55.95 56.62 2pet s SER 189 Cb -0.10 -0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.11 2pet s SER 189 CO 0.00 0.08 -0.24 -0.89 1.20 0.00 0.00 173.24 173.40 2pet s THR 190 N -0.19 1.97 -0.10 6.45 2.01 -0.91 -0.60 115.64 124.27 2pet s THR 190 Ca 0.03 -1.01 -0.14 0.00 0.31 0.00 0.00 61.69 60.87 2pet s THR 190 Cb -0.03 -1.68 -0.05 0.00 0.01 0.00 0.00 72.50 70.76 2pet s THR 190 CO -0.00 0.55 0.34 -0.22 -0.69 0.00 0.00 174.62 174.59 2pet s LEU 191 N -0.06 4.34 -0.10 4.42 2.96 -0.89 -0.80 118.68 128.55 2pet s LEU 191 Ca -0.06 0.69 0.04 0.00 -0.22 0.00 0.00 54.13 54.58 2pet s LEU 191 Cb -0.14 -2.45 -0.00 0.00 0.50 0.00 0.00 46.19 44.10 2pet s LEU 191 CO 0.04 0.19 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.72 2pet s TYR 192 N -0.16 2.56 -0.04 5.38 2.02 0.44 -0.14 117.35 127.41 2pet s TYR 192 Ca 0.20 -1.01 -0.03 0.00 -0.37 0.00 0.00 57.07 55.86 2pet s TYR 192 Cb -0.14 -1.71 0.01 0.00 -0.40 0.00 0.00 41.96 39.72 2pet s TYR 192 CO 0.08 -0.39 0.10 -0.51 -1.57 0.00 0.00 175.55 173.25 2pet s LEU 193 N 0.30 1.63 -0.05 -1.29 1.43 0.06 -1.22 118.68 119.53 2pet s LEU 193 Ca -0.17 0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 52.82 2pet s LEU 193 Cb -0.18 0.33 -0.05 0.00 0.03 0.00 0.00 46.19 46.33 2pet s LEU 193 CO 0.08 -0.03 1.43 -0.60 0.23 0.00 0.00 176.35 177.46 2pet s ARG 194 N 0.06 4.25 0.32 1.70 3.52 -0.05 -1.12 118.95 127.62 2pet s ARG 194 Ca -0.00 1.95 -0.09 0.00 -0.13 0.00 0.00 55.73 57.46 2pet s ARG 194 Cb -0.01 -3.71 -0.06 0.00 -1.56 0.00 0.00 34.95 29.61 2pet s ARG 194 CO 0.00 -0.67 0.64 -0.51 -0.81 0.00 0.00 175.30 173.95 2pet s LEU 195 N 3.03 4.01 0.20 -0.88 1.43 -1.26 -4.99 118.68 120.21 2pet s LEU 195 Ca 0.64 0.94 0.08 0.00 -1.03 0.00 0.00 54.13 54.76 2pet s LEU 195 Cb -0.30 -3.77 -0.05 0.00 0.03 0.00 0.00 46.19 42.11 2pet s LEU 195 CO 0.24 -0.24 -0.16 0.00 0.23 0.00 0.00 176.35 176.43 2pet s ARG 196 N -3.45 1.35 0.26 1.70 1.70 -1.26 -4.96 118.95 114.29 2pet s ARG 196 Ca 0.48 -1.56 -0.01 0.00 -0.47 0.00 0.00 55.73 54.17 2pet s ARG 196 Cb -0.11 -1.22 0.57 0.00 -0.57 0.00 0.00 34.95 33.62 2pet s ARG 196 CO 0.27 0.22 1.71 -0.22 -1.08 0.00 0.00 175.30 176.20 2pet h LYS 197 N 2.69 0.41 0.00 3.89 3.64 -1.99 0.08 116.57 125.28 2pet h LYS 197 Ca -0.39 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2pet h LYS 197 Cb 1.22 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2pet h LYS 197 CO 0.59 0.27 0.00 -0.25 -2.27 0.00 0.00 179.45 177.79 2pet n ASP 198 N -5.03 0.21 0.32 4.20 8.00 -1.26 -1.91 116.55 121.08 2pet n ASP 198 Ca 0.18 0.55 0.20 0.00 0.71 0.00 0.00 54.79 56.42 2pet n ASP 198 Cb 0.52 -0.60 1.04 0.00 -0.02 0.00 0.00 41.12 42.06 2pet n ASP 198 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2pet h ASP 199 N 0.00 0.00 -0.06 -2.24 3.32 -1.38 -1.04 116.42 115.02 2pet h ASP 199 Ca 0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 2pet h ASP 199 Cb 0.28 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 2pet h ASP 199 CO 0.00 0.00 0.06 0.08 -1.72 0.00 0.00 179.24 177.66 2pet h ARG 200 N 0.00 0.00 -0.24 3.56 0.11 -1.57 -2.52 114.38 113.72 2pet h ARG 200 Ca 0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.09 2pet h ARG 200 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 2pet h ARG 200 CO -0.00 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.82 2pet n ASP 201 N -4.09 3.19 -4.88 0.08 8.00 -0.40 -4.79 116.55 113.67 2pet n ASP 201 Ca -0.01 -1.96 -0.32 0.00 0.71 0.00 0.00 54.79 53.21 2pet n ASP 201 Cb 0.16 -0.15 -0.05 0.00 -0.02 0.00 0.00 41.12 41.06 2pet n ASP 201 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pet s ALA 202 N -1.59 3.62 0.14 2.24 0.00 -0.95 -5.06 121.76 120.15 2pet s ALA 202 Ca 0.33 -0.33 0.02 0.00 0.00 0.00 0.00 51.96 51.98 2pet s ALA 202 Cb 0.21 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.92 2pet s ALA 202 CO 0.29 0.54 0.27 -1.54 0.00 0.00 0.00 175.76 175.32 2pet s SER 203 N -2.32 6.31 0.04 0.00 1.04 -1.26 -4.43 113.70 113.09 2pet s SER 203 Ca 0.45 0.18 0.01 0.00 0.48 0.00 0.00 55.95 57.07 2pet s SER 203 Cb -0.12 -1.90 -0.03 0.00 0.10 0.00 0.00 66.02 64.08 2pet s SER 203 CO 0.22 0.07 -0.06 -0.36 0.98 0.00 0.00 173.24 174.09 2pet s PHE 204 N -1.71 0.57 0.25 5.02 0.08 0.21 -0.30 117.98 122.11 2pet s PHE 204 Ca 0.34 -0.61 -0.18 0.00 0.12 0.00 0.00 56.93 56.60 2pet s PHE 204 Cb -0.11 -0.35 0.02 0.00 -0.57 0.00 0.00 43.02 42.00 2pet s PHE 204 CO 0.28 -0.15 0.62 -3.38 -0.10 0.00 0.00 175.22 172.50 2pet s HIS 205 N -1.89 -0.05 0.36 0.36 -3.43 -0.97 -0.71 115.29 108.95 2pet s HIS 205 Ca -0.08 -0.36 0.09 0.00 -0.80 0.00 0.00 55.06 53.92 2pet s HIS 205 Cb -0.07 0.52 -0.07 0.00 -1.43 0.00 0.00 32.58 31.54 2pet s HIS 205 CO -0.02 -1.11 -0.07 0.00 -2.00 0.00 0.00 174.74 171.54 2pet s ALA 207 N -2.64 -0.22 -0.22 0.00 0.00 -0.06 -1.06 121.76 117.56 2pet s ALA 207 Ca 0.33 0.30 -0.10 0.00 0.00 0.00 0.00 51.96 52.48 2pet s ALA 207 Cb 0.04 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 2pet s ALA 207 CO 0.17 -0.06 0.14 0.00 0.00 0.00 0.00 175.76 176.02 2pet s ALA 208 N 0.19 3.62 -0.23 0.00 0.00 -0.32 -1.51 121.76 123.51 2pet s ALA 208 Ca -0.01 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 51.05 2pet s ALA 208 Cb -0.02 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 2pet s ALA 208 CO -0.01 -0.05 0.10 -1.01 0.00 0.00 0.00 175.76 174.79 2pet s HIS 209 N 0.78 3.20 0.14 0.00 3.76 0.89 -0.59 115.29 123.47 2pet s HIS 209 Ca 0.07 -0.05 0.09 0.00 -0.15 0.00 0.00 55.06 55.03 2pet s HIS 209 Cb -0.13 -2.21 -0.04 0.00 1.11 0.00 0.00 32.58 31.32 2pet s HIS 209 CO 0.02 -0.07 -0.21 1.52 -0.85 0.00 0.00 174.74 175.15 2pet s TYR 210 N 1.09 1.95 0.25 1.40 1.13 -0.50 -1.22 117.35 121.46 2pet s TYR 210 Ca 0.05 -0.42 -0.01 0.00 -1.41 0.00 0.00 57.07 55.29 2pet s TYR 210 Cb -0.14 -1.02 -0.04 0.00 -1.10 0.00 0.00 41.96 39.66 2pet s TYR 210 CO 0.04 0.32 0.45 -1.54 -2.51 0.00 0.00 175.55 172.31 2pet s SER 211 N -2.32 6.37 0.24 -0.18 1.04 -1.26 -1.21 113.70 116.37 2pet s SER 211 Ca 0.13 0.44 0.01 0.00 0.48 0.00 0.00 55.95 57.00 2pet s SER 211 Cb -0.08 -2.02 -0.05 0.00 0.10 0.00 0.00 66.02 63.97 2pet s SER 211 CO 0.06 -0.13 0.10 -0.76 0.98 0.00 0.00 173.24 173.49 2pet s LEU 212 N -3.65 1.56 0.95 2.42 1.43 0.06 -4.74 118.68 116.71 2pet s LEU 212 Ca 0.39 -1.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.01 2pet s LEU 212 Cb -0.10 0.11 0.10 0.00 0.03 0.00 0.00 46.19 46.32 2pet s LEU 212 CO 0.31 -0.75 0.75 -2.65 0.23 0.00 0.00 176.35 174.24 2pet n PRO 213 N -0.40 -0.47 -2.21 1.29 -0.02 -1.26 -3.35 135.00 128.58 2pet n PRO 213 Ca -0.00 -0.09 -0.18 0.00 -2.02 0.00 0.00 63.50 61.21 2pet n PRO 213 Cb 0.66 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 32.02 2pet n PRO 213 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2pet n GLU 214 N -2.97 -1.42 -0.99 -0.52 1.02 -1.26 -2.27 120.64 112.23 2pet n GLU 214 Ca 0.09 0.93 0.00 0.00 -0.02 0.00 0.00 57.16 58.16 2pet n GLU 214 Cb 0.53 -5.40 0.00 0.00 -0.02 0.00 0.00 31.44 26.55 2pet n GLU 214 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pet n GLY 215 N -0.97 0.47 3.90 0.62 0.00 -1.24 -5.02 105.19 102.95 2pet n GLY 215 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 2pet n GLY 215 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pet s ARG 216 N -0.32 2.92 0.07 1.61 0.52 -0.96 -4.90 118.95 117.88 2pet s ARG 216 Ca 0.00 0.24 -0.01 0.00 -0.52 0.00 0.00 55.73 55.45 2pet s ARG 216 Cb 0.00 -2.15 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 2pet s ARG 216 CO 0.00 -0.85 -0.02 -1.01 0.02 0.00 0.00 175.30 173.44 2pet s HIS 217 N -3.17 0.64 0.27 -0.53 3.76 -1.26 -0.76 115.29 114.24 2pet s HIS 217 Ca 0.56 -1.07 0.02 0.00 -0.15 0.00 0.00 55.06 54.41 2pet s HIS 217 Cb -0.11 -0.43 -0.05 0.00 1.11 0.00 0.00 32.58 33.10 2pet s HIS 217 CO 0.48 -0.36 0.10 0.20 -0.85 0.00 0.00 174.74 174.31 2pet s GLY 218 N -2.96 1.81 -0.01 -2.22 0.00 -0.35 -4.93 107.32 98.66 2pet s GLY 218 Ca 0.10 -1.88 0.02 0.00 0.00 0.00 0.00 44.72 42.96 2pet s GLY 218 CO -0.07 -1.63 -0.05 -1.60 0.00 0.00 0.00 173.10 169.75 2pet s ARG 219 N -4.00 0.50 -0.25 2.90 3.52 -1.26 -1.41 118.95 118.96 2pet s ARG 219 Ca 0.37 -0.16 0.01 0.00 -0.13 0.00 0.00 55.73 55.82 2pet s ARG 219 Cb 0.08 -0.51 0.06 0.00 -1.56 0.00 0.00 34.95 33.02 2pet s ARG 219 CO 0.14 0.07 -0.05 -0.51 -0.81 0.00 0.00 175.30 174.14 2pet s LEU 220 N 0.13 2.87 0.22 -0.88 1.43 0.24 -4.97 118.68 117.72 2pet s LEU 220 Ca -0.01 -1.30 -0.21 0.00 -1.03 0.00 0.00 54.13 51.57 2pet s LEU 220 Cb -0.05 -1.27 -0.08 0.00 0.03 0.00 0.00 46.19 44.82 2pet s LEU 220 CO -0.00 -0.24 0.75 -1.81 0.23 0.00 0.00 176.35 175.28 2pet s ASP 221 N 1.31 7.14 0.76 2.29 1.01 -1.26 -1.18 116.67 126.74 2pet s ASP 221 Ca -0.05 1.50 -0.11 0.00 0.71 0.00 0.00 52.55 54.60 2pet s ASP 221 Cb -0.19 -2.45 0.04 0.00 1.01 0.00 0.00 42.92 41.33 2pet s ASP 221 CO -0.07 0.06 1.08 -0.94 0.21 0.00 0.00 175.17 175.51 2pet s SER 222 N -1.55 4.88 0.75 0.27 1.04 -0.22 -4.46 113.70 114.41 2pet s SER 222 Ca 0.42 1.37 -0.15 0.00 0.48 0.00 0.00 55.95 58.08 2pet s SER 222 Cb -0.18 -2.16 0.03 0.00 0.10 0.00 0.00 66.02 63.81 2pet s SER 222 CO 0.22 -1.73 1.08 -2.65 0.98 0.00 0.00 173.24 171.14 2pet n PRO 223 N -3.29 0.44 -2.84 4.02 -0.02 -1.26 -4.72 135.00 127.34 2pet n PRO 223 Ca 0.07 0.21 -0.35 0.00 -2.02 0.00 0.00 63.50 61.41 2pet n PRO 223 Cb 0.56 -2.33 -0.07 0.00 -0.02 0.00 0.00 33.50 31.64 2pet n PRO 223 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2pet s THR 224 N -1.89 4.32 0.10 3.45 2.01 -1.26 -4.63 115.64 117.74 2pet s THR 224 Ca 0.74 1.63 0.02 0.00 0.31 0.00 0.00 61.69 64.39 2pet s THR 224 Cb -0.33 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 2pet s THR 224 CO 0.50 -0.01 -0.07 0.72 -0.69 0.00 0.00 174.62 175.07 2pet s PHE 225 N -1.80 0.93 0.21 4.92 -0.71 0.11 -4.96 117.98 116.68 2pet s PHE 225 Ca 0.53 -0.91 0.08 0.00 -1.04 0.00 0.00 56.93 55.60 2pet s PHE 225 Cb -0.15 -0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 41.09 2pet s PHE 225 CO 0.20 -0.14 0.01 -1.01 -1.34 0.00 0.00 175.22 172.94 2pet s HIS 226 N -3.61 2.80 0.37 3.49 3.76 -1.26 -0.62 115.29 120.23 2pet s HIS 226 Ca 0.13 -0.17 -0.25 0.00 -0.15 0.00 0.00 55.06 54.62 2pet s HIS 226 Cb 0.05 -1.31 -0.09 0.00 1.11 0.00 0.00 32.58 32.34 2pet s HIS 226 CO -0.04 0.55 1.03 -0.51 -0.85 0.00 0.00 174.74 174.92 2pet s LEU 227 N -3.27 4.22 -0.37 0.89 1.43 -1.26 -5.02 118.68 115.29 2pet s LEU 227 Ca 0.29 2.00 -0.15 0.00 -1.03 0.00 0.00 54.13 55.24 2pet s LEU 227 Cb -0.08 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 42.03 2pet s LEU 227 CO 0.19 -0.36 0.33 -0.89 0.23 0.00 0.00 176.35 175.86 2pet s THR 228 N -1.62 5.20 -0.10 5.49 2.01 -1.26 -5.00 115.64 120.36 2pet s THR 228 Ca 0.55 -0.26 -0.02 0.00 0.31 0.00 0.00 61.69 62.27 2pet s THR 228 Cb -0.22 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 2pet s THR 228 CO 0.27 -0.19 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.24 2pet s LEU 229 N 1.89 3.48 -0.14 4.42 1.43 -1.26 -4.19 118.68 124.30 2pet s LEU 229 Ca 0.09 0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 2pet s LEU 229 Cb -0.17 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 2pet s LEU 229 CO 0.11 0.33 -0.08 -1.00 0.23 0.00 0.00 176.35 175.95 2pet s HIS 230 N -0.61 2.93 0.00 0.29 3.76 0.94 -4.99 115.29 117.62 2pet s HIS 230 Ca 0.10 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 2pet s HIS 230 Cb -0.12 -1.90 0.00 0.00 1.11 0.00 0.00 32.58 31.67 2pet s HIS 230 CO 0.02 -0.10 0.43 0.66 -0.85 0.00 0.00 174.74 174.90