#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i7d s SER 4 N 0.00 7.04 -0.25 6.15 0.15 -1.26 -4.93 113.70 120.59 2i7d s SER 4 Ca 0.00 1.32 -0.13 0.00 0.70 0.00 0.00 55.95 57.84 2i7d s SER 4 Cb 0.00 -2.38 -0.05 0.00 -1.71 0.00 0.00 66.02 61.88 2i7d s SER 4 CO 0.00 0.13 0.26 -0.69 1.20 0.00 0.00 173.24 174.13 2i7d s VAL 5 N -1.37 5.28 -0.25 4.45 1.01 -0.67 -4.96 120.40 123.89 2i7d s VAL 5 Ca 0.37 0.35 -0.09 0.00 0.00 0.00 0.00 61.98 62.62 2i7d s VAL 5 Cb -0.18 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2i7d s VAL 5 CO 0.21 0.26 0.13 -0.60 0.00 0.00 0.00 175.10 175.10 2i7d s ARG 6 N 1.52 3.88 -0.19 2.72 3.52 -1.26 -1.30 118.95 127.84 2i7d s ARG 6 Ca 0.11 -0.36 -0.03 0.00 -0.13 0.00 0.00 55.73 55.32 2i7d s ARG 6 Cb -0.15 -3.49 -0.01 0.00 -1.56 0.00 0.00 34.95 29.74 2i7d s ARG 6 CO 0.08 -0.09 -0.07 0.08 -0.81 0.00 0.00 175.30 174.49 2i7d s VAL 7 N 1.44 3.32 -0.20 7.11 1.01 0.04 -0.95 120.40 132.16 2i7d s VAL 7 Ca 0.06 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 2i7d s VAL 7 Cb -0.15 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 2i7d s VAL 7 CO 0.06 0.45 0.23 -0.76 0.00 0.00 0.00 175.10 175.09 2i7d s LEU 8 N 1.13 4.18 -0.17 3.92 1.43 -0.05 -1.64 118.68 127.48 2i7d s LEU 8 Ca 0.01 0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 2i7d s LEU 8 Cb -0.15 -2.24 0.02 0.00 0.03 0.00 0.00 46.19 43.85 2i7d s LEU 8 CO -0.01 0.08 -0.19 -0.69 0.23 0.00 0.00 176.35 175.77 2i7d s VAL 9 N 0.74 1.96 0.82 -1.59 1.01 -0.05 -1.26 120.40 122.02 2i7d s VAL 9 Ca 0.12 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 2i7d s VAL 9 Cb -0.13 -1.78 0.08 0.00 0.00 0.00 0.00 36.38 34.56 2i7d s VAL 9 CO 0.03 0.52 1.10 -0.62 0.00 0.00 0.00 175.10 176.13 2i7d s ASP 10 N 1.27 4.06 -0.04 3.32 2.15 -0.71 -1.12 116.67 125.60 2i7d s ASP 10 Ca 0.03 1.85 -0.04 0.00 0.43 0.00 0.00 52.55 54.83 2i7d s ASP 10 Cb -0.13 -2.49 -0.01 0.00 -0.30 0.00 0.00 42.92 39.98 2i7d s ASP 10 CO -0.11 -2.32 -0.07 0.23 -0.17 0.00 0.00 175.17 172.73 2i7d n MET 11 N -3.71 0.13 -2.01 4.34 2.81 -1.26 -3.91 117.12 113.51 2i7d n MET 11 Ca 0.09 0.18 -0.42 0.00 -1.81 0.00 0.00 57.70 55.75 2i7d n MET 11 Cb 0.53 -0.87 -0.03 0.00 -0.71 0.00 0.00 33.22 32.14 2i7d n MET 11 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2i7d s ASP 12 N -4.32 6.67 0.00 7.83 1.01 -1.26 -0.90 116.67 125.70 2i7d s ASP 12 Ca -0.06 2.40 0.00 0.00 0.71 0.00 0.00 52.55 55.60 2i7d s ASP 12 Cb 0.01 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.37 2i7d s ASP 12 CO 0.09 -0.83 0.00 0.61 0.21 0.00 0.00 175.17 175.25 2i7d n GLY 13 N 3.85 1.21 1.45 0.21 0.00 -0.05 -4.71 105.19 107.15 2i7d n GLY 13 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2i7d n GLY 13 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2i7d n VAL 14 N -2.00 0.19 -0.11 1.61 0.31 -0.88 -4.78 118.33 112.68 2i7d n VAL 14 Ca 0.00 0.06 -0.14 0.00 -0.01 0.00 0.00 64.34 64.25 2i7d n VAL 14 Cb 0.00 -1.08 -0.11 0.00 -0.91 0.00 0.00 33.84 31.74 2i7d n VAL 14 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2i7d n LEU 15 N -2.98 2.34 -4.30 7.52 4.77 -0.08 -4.73 117.00 119.54 2i7d n LEU 15 Ca 0.00 -0.09 -0.32 0.00 -0.03 0.00 0.00 56.01 55.57 2i7d n LEU 15 Cb 0.20 -0.52 -0.16 0.00 -2.33 0.00 0.00 43.42 40.61 2i7d n LEU 15 CO 0.00 0.78 -0.55 0.00 -1.33 0.00 0.00 177.39 176.29 2i7d s ALA 16 N -2.44 2.24 -1.22 -1.18 0.00 -0.56 -1.16 121.76 117.43 2i7d s ALA 16 Ca -0.25 -1.05 -0.15 0.00 0.00 0.00 0.00 51.96 50.51 2i7d s ALA 16 Cb 0.07 -0.71 0.14 0.00 0.00 0.00 0.00 23.12 22.62 2i7d s ALA 16 CO 0.56 0.45 1.51 0.34 0.00 0.00 0.00 175.76 178.61 2i7d s ASP 17 N -0.29 6.99 0.12 0.00 -1.08 0.21 -0.87 116.67 121.75 2i7d s ASP 17 Ca 0.00 -2.79 -0.19 0.00 -0.52 0.00 0.00 52.55 49.05 2i7d s ASP 17 Cb -0.13 -2.45 -0.06 0.00 -1.46 0.00 0.00 42.92 38.82 2i7d s ASP 17 CO 0.02 -0.88 1.77 0.15 0.52 0.00 0.00 175.17 176.75 2i7d h PHE 18 N 7.36 0.27 -0.36 -5.34 3.04 -1.92 -2.35 116.94 117.64 2i7d h PHE 18 Ca 0.35 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.28 2i7d h PHE 18 Cb 0.88 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.28 2i7d h PHE 18 CO 1.20 0.18 0.14 0.93 -2.02 0.00 0.00 178.31 178.74 2i7d h GLU 19 N 0.29 0.55 -0.66 1.11 4.39 -1.99 0.33 114.58 118.59 2i7d h GLU 19 Ca 0.08 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 2i7d h GLU 19 Cb -0.02 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 2i7d h GLU 19 CO -0.02 0.53 0.18 0.00 -1.16 0.00 0.00 179.01 178.54 2i7d h ALA 20 N 0.99 0.87 -0.70 3.43 0.00 -1.97 -2.10 119.26 119.77 2i7d h ALA 20 Ca 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2i7d h ALA 20 Cb 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2i7d h ALA 20 CO -0.01 0.57 0.38 0.78 0.00 0.00 0.00 179.25 180.97 2i7d h GLY 21 N 0.97 1.04 0.84 0.00 0.00 -1.16 -1.41 103.07 103.35 2i7d h GLY 21 Ca 0.21 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 2i7d h GLY 21 CO -0.00 0.45 0.04 -2.00 0.00 0.00 0.00 176.54 175.03 2i7d h LEU 22 N 0.96 0.22 -0.43 3.11 5.85 -0.81 -1.47 115.31 122.75 2i7d h LEU 22 Ca 0.25 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2i7d h LEU 22 Cb 0.04 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2i7d h LEU 22 CO -0.04 0.38 0.17 0.25 -0.34 0.00 0.00 178.44 178.87 2i7d h LEU 23 N 0.05 0.59 -0.46 2.25 5.85 -1.31 -0.69 115.31 121.59 2i7d h LEU 23 Ca 0.05 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.62 2i7d h LEU 23 Cb 0.24 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2i7d h LEU 23 CO -0.00 0.60 0.27 -0.09 -0.34 0.00 0.00 178.44 178.88 2i7d h ARG 24 N 0.55 0.54 -0.43 1.25 2.43 -1.23 -0.86 114.38 116.63 2i7d h ARG 24 Ca 0.14 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 2i7d h ARG 24 Cb 0.19 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2i7d h ARG 24 CO -0.01 0.35 -0.11 0.78 -1.51 0.00 0.00 179.97 179.47 2i7d h GLY 25 N 0.55 0.84 0.88 2.80 0.00 -1.11 -2.17 103.07 104.86 2i7d h GLY 25 Ca 0.19 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 2i7d h GLY 25 CO -0.08 0.58 0.03 -2.75 0.00 0.00 0.00 176.54 174.32 2i7d h PHE 26 N 0.70 0.51 -0.11 5.60 3.04 -0.88 -1.92 116.94 123.89 2i7d h PHE 26 Ca 0.12 -0.08 -0.06 0.00 3.98 0.00 0.00 57.97 61.93 2i7d h PHE 26 Cb 0.59 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.95 2i7d h PHE 26 CO 0.03 0.59 -0.19 0.00 -2.02 0.00 0.00 178.31 176.72 2i7d h ARG 27 N 0.29 0.18 0.03 1.11 3.08 -1.07 0.05 114.38 118.05 2i7d h ARG 27 Ca 0.08 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2i7d h ARG 27 Cb 0.36 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2i7d h ARG 27 CO 0.01 0.38 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.18 2i7d h ARG 28 N 0.17 -0.03 0.00 0.04 2.43 -1.27 -3.22 114.38 112.50 2i7d h ARG 28 Ca 0.03 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.97 2i7d h ARG 28 Cb 0.44 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 2i7d h ARG 28 CO 0.03 0.43 -1.24 -0.09 -1.51 0.00 0.00 179.97 177.59 2i7d h ARG 29 N -0.51 0.01 -2.19 0.20 2.43 -1.28 -3.38 114.38 109.66 2i7d h ARG 29 Ca -0.00 -0.01 -0.55 0.00 -0.81 0.00 0.00 59.98 58.60 2i7d h ARG 29 Cb 0.48 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.62 2i7d h ARG 29 CO 0.01 0.84 -0.83 1.19 -1.51 0.00 0.00 179.97 179.66 2i7d n PHE 30 N -3.25 2.73 0.24 2.20 3.72 -0.00 -4.96 117.46 118.13 2i7d n PHE 30 Ca -0.06 -3.94 0.10 0.00 -0.05 0.00 0.00 57.45 53.50 2i7d n PHE 30 Cb 0.98 -0.47 0.63 0.00 -0.94 0.00 0.00 39.48 39.68 2i7d n PHE 30 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2i7d h PRO 31 N 3.00 0.00 0.00 -1.08 0.13 -1.72 -2.65 132.00 129.68 2i7d h PRO 31 Ca 0.12 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.20 2i7d h PRO 31 Cb 0.66 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 2i7d h PRO 31 CO 0.71 0.17 -0.37 1.49 -0.23 0.00 0.00 178.00 179.76 2i7d h GLU 32 N 0.00 0.00 -7.07 0.86 4.81 -1.93 -3.48 114.58 107.77 2i7d h GLU 32 Ca -0.00 0.00 -0.47 0.00 -0.13 0.00 0.00 59.36 58.76 2i7d h GLU 32 Cb 0.38 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.79 2i7d h GLU 32 CO 0.02 0.22 0.38 -1.21 -0.73 0.00 0.00 179.01 177.69 2i7d s GLU 33 N -3.11 3.83 0.61 1.92 8.01 -1.00 -5.03 118.70 123.94 2i7d s GLU 33 Ca 0.05 1.34 -0.19 0.00 0.01 0.00 0.00 54.97 56.17 2i7d s GLU 33 Cb 0.07 -2.10 -0.03 0.00 -4.31 0.00 0.00 34.13 27.76 2i7d s GLU 33 CO 0.72 -0.40 1.24 -2.30 0.01 0.00 0.00 175.26 174.53 2i7d n PRO 34 N -0.95 1.23 -4.39 0.39 -0.02 -1.26 -5.05 135.00 124.95 2i7d n PRO 34 Ca 0.09 0.47 -0.20 0.00 -2.02 0.00 0.00 63.50 61.85 2i7d n PRO 34 Cb 0.53 -2.47 -0.10 0.00 -0.02 0.00 0.00 33.50 31.44 2i7d n PRO 34 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2i7d s HIS 35 N -1.38 1.73 -0.36 6.00 -3.43 -1.26 -5.07 115.29 111.52 2i7d s HIS 35 Ca 0.78 -1.13 -0.08 0.00 -0.80 0.00 0.00 55.06 53.84 2i7d s HIS 35 Cb -0.40 -1.07 0.04 0.00 -1.43 0.00 0.00 32.58 29.72 2i7d s HIS 35 CO 0.44 -0.22 0.15 0.08 -2.00 0.00 0.00 174.74 173.19 2i7d s VAL 36 N -3.50 3.99 0.55 -5.38 1.01 -1.26 -5.10 120.40 110.70 2i7d s VAL 36 Ca 0.35 -1.14 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 2i7d s VAL 36 Cb 0.07 -3.29 -0.06 0.00 0.00 0.00 0.00 36.38 33.10 2i7d s VAL 36 CO 0.15 -0.25 1.10 -2.65 0.00 0.00 0.00 175.10 173.45 2i7d n PRO 37 N 4.86 1.24 -0.17 2.72 -0.02 -1.26 -4.87 135.00 137.50 2i7d n PRO 37 Ca -0.12 0.46 -0.03 0.00 -2.02 0.00 0.00 63.50 61.79 2i7d n PRO 37 Cb 0.45 -2.27 0.06 0.00 -0.02 0.00 0.00 33.50 31.71 2i7d n PRO 37 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2i7d h LEU 38 N 1.00 0.32 0.00 2.45 3.38 -1.99 -1.03 115.31 119.44 2i7d h LEU 38 Ca -0.48 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2i7d h LEU 38 Cb 1.34 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2i7d h LEU 38 CO 0.54 0.22 0.00 -0.62 0.09 0.00 0.00 178.44 178.67 2i7d n GLU 39 N -4.92 0.38 0.00 1.13 -0.58 -1.26 -1.62 120.64 113.77 2i7d n GLU 39 Ca 0.05 0.05 0.13 0.00 -0.42 0.00 0.00 57.16 56.97 2i7d n GLU 39 Cb 0.17 -1.50 0.47 0.00 -0.57 0.00 0.00 31.44 30.00 2i7d n GLU 39 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2i7d n GLN 40 N -1.27 0.02 -1.93 3.49 7.27 -0.40 -4.94 117.38 119.63 2i7d n GLN 40 Ca 0.12 -0.01 -0.41 0.00 0.07 0.00 0.00 57.00 56.77 2i7d n GLN 40 Cb 0.19 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 31.32 2i7d n GLN 40 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2i7d s ARG 41 N -2.98 4.21 -0.03 3.69 1.81 -0.64 -4.98 118.95 120.03 2i7d s ARG 41 Ca 0.13 2.41 -0.02 0.00 -1.72 0.00 0.00 55.73 56.54 2i7d s ARG 41 Cb 0.18 -3.06 0.02 0.00 -0.45 0.00 0.00 34.95 31.64 2i7d s ARG 41 CO 0.60 -0.48 0.07 1.03 -0.68 0.00 0.00 175.30 175.84 2i7d s ARG 42 N -0.73 0.04 0.00 3.54 1.81 -1.26 -4.16 118.95 118.18 2i7d s ARG 42 Ca 0.59 0.20 0.00 0.00 -1.72 0.00 0.00 55.73 54.80 2i7d s ARG 42 Cb -0.44 -0.13 0.00 0.00 -0.45 0.00 0.00 34.95 33.93 2i7d s ARG 42 CO 0.48 -0.11 0.00 0.41 -0.68 0.00 0.00 175.30 175.40 2i7d n GLY 43 N 3.79 -0.97 0.10 -3.53 0.00 -1.18 -4.86 105.19 98.53 2i7d n GLY 43 Ca -0.22 -1.39 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 2i7d n GLY 43 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2i7d h PHE 44 N 0.00 0.14 -3.40 1.61 3.57 -1.98 -3.41 116.94 113.47 2i7d h PHE 44 Ca 0.00 0.01 -0.61 0.00 3.53 0.00 0.00 57.97 60.89 2i7d h PHE 44 Cb 0.00 -0.04 -0.12 0.00 2.79 0.00 0.00 35.95 38.58 2i7d h PHE 44 CO 0.00 0.08 0.51 -0.51 -2.23 0.00 0.00 178.31 176.16 2i7d s LEU 45 N -10.23 4.13 0.32 0.59 1.43 -1.26 -4.93 118.68 108.73 2i7d s LEU 45 Ca -0.13 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 2i7d s LEU 45 Cb 0.08 -2.93 0.60 0.00 0.03 0.00 0.00 46.19 43.97 2i7d s LEU 45 CO 0.68 -1.11 1.91 0.00 0.23 0.00 0.00 176.35 178.06 2i7d h ALA 46 N 9.18 1.58 -0.87 4.21 0.00 -1.93 -2.79 119.26 128.64 2i7d h ALA 46 Ca -0.25 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.75 2i7d h ALA 46 Cb 1.08 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 2i7d h ALA 46 CO 1.04 0.28 0.56 -0.09 0.00 0.00 0.00 179.25 181.04 2i7d h ARG 47 N 0.95 0.76 -0.00 0.00 2.43 -1.93 -1.86 114.38 114.72 2i7d h ARG 47 Ca 0.39 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.35 2i7d h ARG 47 Cb 0.27 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2i7d h ARG 47 CO -0.15 0.50 -0.78 0.93 -1.51 0.00 0.00 179.97 178.97 2i7d h GLU 48 N 0.78 0.03 -0.38 0.20 4.39 -1.90 -0.88 114.58 116.81 2i7d h GLU 48 Ca 0.41 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.94 2i7d h GLU 48 Cb 0.53 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2i7d h GLU 48 CO -0.18 0.79 -0.36 0.37 -1.16 0.00 0.00 179.01 178.47 2i7d h GLN 49 N 0.02 0.90 -0.64 2.33 4.15 -1.46 -2.46 115.11 117.95 2i7d h GLN 49 Ca -0.01 -0.45 -0.04 0.00 0.77 0.00 0.00 58.65 58.92 2i7d h GLN 49 Cb 1.37 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 29.03 2i7d h GLN 49 CO 0.10 1.10 0.26 1.88 -1.93 0.00 0.00 178.83 180.24 2i7d h TYR 50 N 0.74 0.97 -0.82 3.99 0.05 -1.28 -1.77 116.97 118.86 2i7d h TYR 50 Ca 0.07 -0.07 0.04 0.00 0.05 0.00 0.00 58.73 58.82 2i7d h TYR 50 Cb 0.93 -0.29 -0.05 0.00 1.01 0.00 0.00 36.73 38.33 2i7d h TYR 50 CO 0.06 0.76 0.51 -0.09 -1.05 0.00 0.00 178.16 178.35 2i7d h ARG 51 N 0.90 0.95 -0.66 4.88 2.43 -1.11 -1.80 114.38 119.96 2i7d h ARG 51 Ca 0.21 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 2i7d h ARG 51 Cb 0.20 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 2i7d h ARG 51 CO -0.02 0.63 0.25 0.00 -1.51 0.00 0.00 179.97 179.31 2i7d h ALA 52 N 1.36 1.19 -0.02 2.80 0.00 -1.24 -3.07 119.26 120.28 2i7d h ALA 52 Ca 0.34 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2i7d h ALA 52 Cb 0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2i7d h ALA 52 CO -0.14 0.58 0.01 1.25 0.00 0.00 0.00 179.25 180.95 2i7d h LEU 53 N 0.96 0.03 -7.00 0.00 5.85 -0.61 -3.45 115.31 111.09 2i7d h LEU 53 Ca 0.22 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.82 2i7d h LEU 53 Cb 0.21 -0.01 -0.22 0.00 0.37 0.00 0.00 40.66 41.01 2i7d h LEU 53 CO -0.02 0.17 0.11 -0.60 -0.34 0.00 0.00 178.44 177.76 2i7d s ARG 54 N -5.61 0.66 0.32 1.25 3.52 -0.75 -5.09 118.95 113.26 2i7d s ARG 54 Ca -0.14 1.08 0.09 0.00 -0.13 0.00 0.00 55.73 56.63 2i7d s ARG 54 Cb 0.05 0.17 0.88 0.00 -1.56 0.00 0.00 34.95 34.49 2i7d s ARG 54 CO 0.67 -0.13 1.73 -1.35 -0.81 0.00 0.00 175.30 175.41 2i7d h PRO 55 N 6.47 0.56 0.00 5.12 0.11 -1.80 -0.85 132.00 141.62 2i7d h PRO 55 Ca -0.29 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2i7d h PRO 55 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2i7d h PRO 55 CO 0.15 0.37 0.00 0.38 -0.21 0.00 0.00 178.00 178.69 2i7d h ASP 56 N 0.58 0.00 1.57 -2.05 -0.00 -1.91 -3.07 116.42 111.53 2i7d h ASP 56 Ca 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.67 2i7d h ASP 56 Cb 1.22 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 40.55 2i7d h ASP 56 CO -0.48 0.00 -0.00 -0.07 -0.00 0.00 0.00 179.24 178.69 2i7d h LEU 57 N 0.00 0.00 0.15 0.15 3.38 -1.40 -3.27 115.31 114.32 2i7d h LEU 57 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2i7d h LEU 57 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2i7d h LEU 57 CO 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 178.44 178.46 2i7d h ALA 58 N 2.00 -0.20 -0.27 1.53 0.00 -1.70 -0.85 119.26 119.77 2i7d h ALA 58 Ca -0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2i7d h ALA 58 Cb 0.79 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2i7d h ALA 58 CO 0.00 -0.60 -0.20 -0.44 0.00 0.00 0.00 179.25 178.01 2i7d h ASP 59 N -0.22 0.48 -0.02 0.00 3.32 -1.80 -2.41 116.42 115.76 2i7d h ASP 59 Ca -0.02 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 2i7d h ASP 59 Cb 0.17 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 2i7d h ASP 59 CO 0.03 0.69 0.01 0.11 -1.72 0.00 0.00 179.24 178.36 2i7d h LYS 60 N 0.44 0.03 -0.23 3.56 1.57 -1.57 -1.91 116.57 118.46 2i7d h LYS 60 Ca 0.07 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 2i7d h LYS 60 Cb 0.59 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2i7d h LYS 60 CO 0.04 0.22 -0.32 -0.24 -0.57 0.00 0.00 179.45 178.58 2i7d h VAL 61 N -0.17 1.28 -0.64 0.50 3.04 -1.12 -2.53 116.25 116.61 2i7d h VAL 61 Ca 0.01 -1.41 -0.03 0.00 -1.01 0.00 0.00 66.70 64.25 2i7d h VAL 61 Cb 0.20 1.46 -0.03 0.00 -2.01 0.00 0.00 31.29 30.91 2i7d h VAL 61 CO -0.00 0.44 0.28 0.00 -1.01 0.00 0.00 177.57 177.28 2i7d h ALA 62 N 1.24 1.27 0.00 3.17 0.00 -1.42 -2.18 119.26 121.34 2i7d h ALA 62 Ca 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2i7d h ALA 62 Cb 0.77 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2i7d h ALA 62 CO 0.06 0.54 -0.07 0.66 0.00 0.00 0.00 179.25 180.45 2i7d h SER 63 N 0.92 0.00 0.35 0.00 4.64 -0.90 -1.42 113.55 117.14 2i7d h SER 63 Ca 0.22 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.52 2i7d h SER 63 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2i7d h SER 63 CO -0.02 0.07 -0.17 0.58 -0.87 0.00 0.00 176.83 176.42 2i7d h VAL 64 N 0.00 0.66 0.00 0.95 2.07 -1.30 -3.01 116.25 115.61 2i7d h VAL 64 Ca -0.00 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2i7d h VAL 64 Cb 0.12 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2i7d h VAL 64 CO 0.01 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.68 2i7d n TYR 65 N -5.19 0.24 1.24 1.57 4.11 -1.06 -2.94 117.16 115.13 2i7d n TYR 65 Ca -0.10 0.07 0.13 0.00 -0.00 0.00 0.00 57.90 58.00 2i7d n TYR 65 Cb 0.26 -0.62 0.37 0.00 -0.00 0.00 0.00 39.34 39.35 2i7d n TYR 65 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 2i7d n GLU 66 N -1.70 0.86 -2.78 -3.48 1.02 -0.56 -4.82 120.64 109.19 2i7d n GLU 66 Ca 0.06 -0.52 -0.35 0.00 -0.02 0.00 0.00 57.16 56.34 2i7d n GLU 66 Cb 0.33 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.20 2i7d n GLU 66 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i7d s ALA 67 N -2.49 3.10 0.23 0.62 0.00 -1.14 -4.75 121.76 117.32 2i7d s ALA 67 Ca 0.24 0.47 -0.31 0.00 0.00 0.00 0.00 51.96 52.36 2i7d s ALA 67 Cb 0.19 -3.17 -0.15 0.00 0.00 0.00 0.00 23.12 19.99 2i7d s ALA 67 CO 0.52 0.11 1.18 -2.30 0.00 0.00 0.00 175.76 175.27 2i7d n PRO 68 N -0.18 1.45 0.00 0.00 -0.02 -1.26 -2.43 135.00 132.55 2i7d n PRO 68 Ca 0.05 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2i7d n PRO 68 Cb 0.52 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 2i7d n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2i7d n GLY 69 N 1.76 2.60 0.25 -1.23 0.00 -1.26 -4.96 105.19 102.35 2i7d n GLY 69 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 2i7d n GLY 69 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2i7d h PHE 70 N 0.00 -0.56 -0.37 1.61 3.57 -1.78 -1.50 116.94 117.91 2i7d h PHE 70 Ca 0.00 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.34 2i7d h PHE 70 Cb 0.00 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2i7d h PHE 70 CO 0.00 -0.32 -0.40 0.74 -2.23 0.00 0.00 178.31 176.10 2i7d h PHE 71 N -0.48 1.10 -0.90 0.41 0.04 -1.83 -3.17 116.94 112.10 2i7d h PHE 71 Ca -0.01 -0.34 0.11 0.00 2.80 0.00 0.00 57.97 60.53 2i7d h PHE 71 Cb 0.44 -0.23 -0.07 0.00 2.20 0.00 0.00 35.95 38.29 2i7d h PHE 71 CO -0.14 1.16 0.58 1.25 -0.60 0.00 0.00 178.31 180.56 2i7d h LEU 72 N 0.74 0.78 -1.19 1.54 5.85 -1.74 -3.02 115.31 118.28 2i7d h LEU 72 Ca 0.06 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2i7d h LEU 72 Cb 1.00 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.90 2i7d h LEU 72 CO 0.10 0.44 0.00 0.47 -0.34 0.00 0.00 178.44 179.11 2i7d n ASP 73 N -4.55 1.85 -4.77 1.25 10.43 -0.58 -4.84 116.55 115.34 2i7d n ASP 73 Ca 0.16 -1.62 -0.40 0.00 2.57 0.00 0.00 54.79 55.50 2i7d n ASP 73 Cb 0.35 -0.00 0.01 0.00 1.84 0.00 0.00 41.12 43.32 2i7d n ASP 73 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2i7d s LEU 74 N -1.99 4.19 0.30 0.64 1.43 -1.14 -5.01 118.68 117.11 2i7d s LEU 74 Ca 0.36 2.94 -0.20 0.00 -1.03 0.00 0.00 54.13 56.20 2i7d s LEU 74 Cb 0.21 -3.84 -0.09 0.00 0.03 0.00 0.00 46.19 42.49 2i7d s LEU 74 CO 0.33 -1.05 0.81 -1.61 0.23 0.00 0.00 176.35 175.06 2i7d s GLU 75 N -2.31 4.24 0.52 1.70 2.02 -1.26 -4.85 118.70 118.75 2i7d s GLU 75 Ca 0.58 0.94 -0.21 0.00 0.02 0.00 0.00 54.97 56.29 2i7d s GLU 75 Cb -0.44 -2.62 -0.06 0.00 0.10 0.00 0.00 34.13 31.11 2i7d s GLU 75 CO 0.58 0.23 1.21 -2.14 0.02 0.00 0.00 175.26 175.16 2i7d s PRO 76 N -2.48 3.40 0.28 0.39 0.02 -1.26 -0.62 135.00 134.73 2i7d s PRO 76 Ca 0.51 1.86 -0.29 0.00 0.02 0.00 0.00 61.00 63.09 2i7d s PRO 76 Cb -0.14 -2.22 -0.10 0.00 0.02 0.00 0.00 34.50 32.07 2i7d s PRO 76 CO 0.19 -0.87 1.24 0.42 -0.33 0.00 0.00 177.00 177.65 2i7d s ILE 77 N -1.53 3.09 0.18 2.83 1.01 -0.31 -4.73 121.20 121.74 2i7d s ILE 77 Ca 0.69 1.04 -0.33 0.00 0.00 0.00 0.00 60.65 62.05 2i7d s ILE 77 Cb -0.31 -3.66 -0.14 0.00 0.01 0.00 0.00 42.46 38.36 2i7d s ILE 77 CO 0.36 0.22 1.47 -2.65 0.00 0.00 0.00 174.94 174.34 2i7d n PRO 78 N 1.42 1.93 -0.05 2.79 -0.02 -1.26 -1.86 135.00 137.95 2i7d n PRO 78 Ca 0.01 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2i7d n PRO 78 Cb 0.43 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 2i7d n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2i7d n GLY 79 N 2.79 2.44 0.07 -1.23 0.00 -1.26 -4.60 105.19 103.41 2i7d n GLY 79 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 2i7d n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i7d h ALA 80 N 0.00 -0.07 -0.59 4.61 0.00 -1.69 -1.99 119.26 119.53 2i7d h ALA 80 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2i7d h ALA 80 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2i7d h ALA 80 CO 0.00 -0.38 0.06 -0.07 0.00 0.00 0.00 179.25 178.85 2i7d h LEU 81 N -0.38 0.98 -0.64 0.00 3.38 -1.90 -1.75 115.31 115.01 2i7d h LEU 81 Ca -0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2i7d h LEU 81 Cb 0.34 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2i7d h LEU 81 CO 0.01 1.02 0.31 0.44 0.09 0.00 0.00 178.44 180.31 2i7d h ASP 82 N 0.91 0.83 -0.45 -0.43 3.45 -1.95 -1.99 116.42 116.79 2i7d h ASP 82 Ca 0.18 -0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.50 2i7d h ASP 82 Cb 0.48 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 39.02 2i7d h ASP 82 CO 0.02 0.72 0.25 0.00 -1.57 0.00 0.00 179.24 178.66 2i7d h ALA 83 N 1.14 0.58 -0.65 3.45 0.00 -1.14 -0.71 119.26 121.93 2i7d h ALA 83 Ca 0.22 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2i7d h ALA 83 Cb 0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2i7d h ALA 83 CO -0.03 0.10 0.22 0.28 0.00 0.00 0.00 179.25 179.82 2i7d h VAL 84 N 0.59 1.25 -0.11 0.00 2.07 -1.23 0.63 116.25 119.45 2i7d h VAL 84 Ca 0.16 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.88 2i7d h VAL 84 Cb 0.05 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2i7d h VAL 84 CO -0.03 0.32 0.02 0.03 0.02 0.00 0.00 177.57 177.93 2i7d h ARG 85 N 0.92 0.07 -0.67 1.57 3.08 -1.20 -1.32 114.38 116.84 2i7d h ARG 85 Ca 0.21 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 2i7d h ARG 85 Cb 0.27 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 2i7d h ARG 85 CO -0.01 0.05 0.37 0.93 -1.07 0.00 0.00 179.97 180.24 2i7d h GLU 86 N 0.07 0.92 -0.22 0.04 5.08 -0.93 -2.46 114.58 117.09 2i7d h GLU 86 Ca 0.05 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2i7d h GLU 86 Cb 0.04 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2i7d h GLU 86 CO -0.06 0.69 0.12 1.98 -1.00 0.00 0.00 179.01 180.73 2i7d h MET 87 N 0.91 0.31 0.00 2.33 4.05 -0.79 -2.62 114.93 119.12 2i7d h MET 87 Ca 0.24 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.59 2i7d h MET 87 Cb 0.03 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 30.77 2i7d h MET 87 CO -0.04 0.29 -0.15 -0.97 0.23 0.00 0.00 176.91 176.28 2i7d h ASN 88 N 0.24 0.00 0.92 1.39 -0.73 -1.14 -2.55 115.58 113.72 2i7d h ASN 88 Ca 0.08 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.25 2i7d h ASN 88 Cb 0.08 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.67 2i7d h ASN 88 CO -0.01 0.15 -0.04 0.47 -0.37 0.00 0.00 177.43 177.63 2i7d n ASP 89 N -3.57 0.05 -4.78 1.15 8.00 -0.94 -4.90 116.55 111.56 2i7d n ASP 89 Ca -0.01 0.38 -0.36 0.00 0.71 0.00 0.00 54.79 55.51 2i7d n ASP 89 Cb 0.29 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.94 2i7d n ASP 89 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2i7d s LEU 90 N -2.97 4.04 0.52 0.64 1.43 -0.96 -5.00 118.68 116.38 2i7d s LEU 90 Ca 0.15 2.12 -0.22 0.00 -1.03 0.00 0.00 54.13 55.14 2i7d s LEU 90 Cb 0.19 -4.28 -0.06 0.00 0.03 0.00 0.00 46.19 42.08 2i7d s LEU 90 CO 0.54 -0.71 1.36 -2.84 0.23 0.00 0.00 176.35 174.93 2i7d s PRO 91 N -2.71 3.27 -1.36 1.29 0.02 -1.26 -3.47 135.00 130.78 2i7d s PRO 91 Ca 0.62 2.23 -0.06 0.00 0.02 0.00 0.00 61.00 63.82 2i7d s PRO 91 Cb -0.23 -2.34 0.03 0.00 0.02 0.00 0.00 34.50 31.98 2i7d s PRO 91 CO 0.29 -1.08 0.92 -0.25 -0.33 0.00 0.00 177.00 176.54 2i7d n ASP 92 N -0.85 -3.26 -3.78 2.53 8.00 -1.26 -4.96 116.55 112.98 2i7d n ASP 92 Ca 0.09 -0.73 -0.13 0.00 0.71 0.00 0.00 54.79 54.74 2i7d n ASP 92 Cb 0.45 -4.36 -0.12 0.00 -0.02 0.00 0.00 41.12 37.06 2i7d n ASP 92 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2i7d s THR 93 N -3.45 -0.02 -0.02 -3.53 2.01 -1.23 -1.67 115.64 107.74 2i7d s THR 93 Ca 0.29 0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.38 2i7d s THR 93 Cb -0.14 -0.32 -0.00 0.00 0.01 0.00 0.00 72.50 72.05 2i7d s THR 93 CO 0.79 0.02 -0.10 -1.10 -0.69 0.00 0.00 174.62 173.54 2i7d s GLN 94 N 0.51 0.91 -0.07 4.92 -1.52 -0.42 -4.84 119.66 119.16 2i7d s GLN 94 Ca -0.03 -0.36 0.05 0.00 -1.95 0.00 0.00 55.36 53.07 2i7d s GLN 94 Cb -0.05 -0.87 -0.01 0.00 -0.22 0.00 0.00 33.01 31.87 2i7d s GLN 94 CO -0.03 0.19 -0.24 0.08 -0.25 0.00 0.00 175.29 175.04 2i7d s VAL 95 N -0.09 2.03 0.05 1.09 1.01 -1.26 -0.78 120.40 122.45 2i7d s VAL 95 Ca 0.01 -1.03 0.08 0.00 0.00 0.00 0.00 61.98 61.04 2i7d s VAL 95 Cb -0.06 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 2i7d s VAL 95 CO -0.00 0.56 -0.23 -0.36 0.00 0.00 0.00 175.10 175.07 2i7d s PHE 96 N 0.04 2.02 -0.48 5.22 0.40 -0.65 -4.92 117.98 119.62 2i7d s PHE 96 Ca -0.10 -0.39 -0.19 0.00 -0.60 0.00 0.00 56.93 55.66 2i7d s PHE 96 Cb -0.15 -1.19 0.05 0.00 0.51 0.00 0.00 43.02 42.23 2i7d s PHE 96 CO 0.06 0.13 0.57 0.42 0.70 0.00 0.00 175.22 177.10 2i7d s ILE 97 N -0.84 4.94 -0.35 0.64 1.01 -0.34 -0.88 121.20 125.38 2i7d s ILE 97 Ca 0.09 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.27 2i7d s ILE 97 Cb -0.09 -4.22 0.05 0.00 0.01 0.00 0.00 42.46 38.21 2i7d s ILE 97 CO 0.02 -0.68 0.12 0.00 0.00 0.00 0.00 174.94 174.40 2i7d s THR 99 N 1.36 0.27 -0.09 0.00 -1.32 -0.52 -3.94 115.64 111.40 2i7d s THR 99 Ca -0.01 -1.15 -0.01 0.00 -1.21 0.00 0.00 61.69 59.31 2i7d s THR 99 Cb -0.20 -0.62 -0.03 0.00 -1.51 0.00 0.00 72.50 70.13 2i7d s THR 99 CO 0.01 -0.57 -0.02 -0.44 -2.21 0.00 0.00 174.62 171.40 2i7d s SER 100 N -1.80 5.03 0.48 8.08 0.01 -1.25 -1.51 113.70 122.74 2i7d s SER 100 Ca -0.09 0.07 -0.18 0.00 1.31 0.00 0.00 55.95 57.06 2i7d s SER 100 Cb -0.06 -1.42 -0.09 0.00 0.21 0.00 0.00 66.02 64.66 2i7d s SER 100 CO -0.02 0.35 0.97 -2.16 0.41 0.00 0.00 173.24 172.79 2i7d s PRO 101 N -0.72 4.03 0.78 12.44 0.04 -1.26 -4.98 135.00 145.33 2i7d s PRO 101 Ca 0.11 0.99 -0.15 0.00 0.04 0.00 0.00 61.00 61.99 2i7d s PRO 101 Cb -0.11 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2i7d s PRO 101 CO 0.02 -0.19 0.70 1.28 0.04 0.00 0.00 177.00 178.85 2i7d n LEU 102 N -1.28 1.72 -0.36 -3.56 4.77 -1.26 -4.95 117.00 112.09 2i7d n LEU 102 Ca 0.07 0.56 -0.03 0.00 -0.03 0.00 0.00 56.01 56.57 2i7d n LEU 102 Cb 0.54 -1.30 0.10 0.00 -2.33 0.00 0.00 43.42 40.43 2i7d n LEU 102 CO 0.43 -2.78 1.24 -0.07 -1.33 0.00 0.00 177.39 174.89 2i7d h LEU 103 N -0.66 1.14 -7.89 2.23 3.38 -2.04 -3.19 115.31 108.28 2i7d h LEU 103 Ca -0.46 -0.06 -0.68 0.00 0.09 0.00 0.00 57.88 56.77 2i7d h LEU 103 Cb 1.33 -0.29 -0.11 0.00 0.09 0.00 0.00 40.66 41.67 2i7d h LEU 103 CO 0.42 0.87 1.75 -0.54 0.09 0.00 0.00 178.44 181.03 2i7d s LYS 104 N -5.99 3.90 0.37 1.13 1.02 -1.26 -4.85 119.74 114.06 2i7d s LYS 104 Ca -0.13 -1.93 0.24 0.00 0.02 0.00 0.00 55.97 54.17 2i7d s LYS 104 Cb 0.17 -5.34 0.54 0.00 -0.52 0.00 0.00 37.83 32.68 2i7d s LYS 104 CO 0.82 -2.10 1.68 0.10 -0.92 0.00 0.00 175.35 174.94 2i7d h TYR 105 N 8.04 0.00 -0.68 3.18 -0.00 -1.94 -3.41 116.97 122.16 2i7d h TYR 105 Ca 0.34 0.00 0.14 0.00 -0.00 0.00 0.00 58.73 59.22 2i7d h TYR 105 Cb 0.91 0.00 -0.12 0.00 -0.00 0.00 0.00 36.73 37.52 2i7d h TYR 105 CO 1.30 0.00 -0.10 1.25 -0.00 0.00 0.00 178.16 180.61 2i7d h HIS 106 N 0.00 -0.23 -0.56 0.10 2.76 -1.90 -1.31 115.15 114.01 2i7d h HIS 106 Ca 0.00 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2i7d h HIS 106 Cb 0.89 0.21 0.00 0.00 1.55 0.00 0.00 27.41 30.06 2i7d h HIS 106 CO 0.00 -0.26 0.00 0.72 -1.30 0.00 0.00 177.93 177.09 2i7d n HIS 107 N -5.40 1.20 -0.10 5.26 8.25 -1.26 -4.56 115.22 118.61 2i7d n HIS 107 Ca 0.10 -0.62 -0.22 0.00 -0.26 0.00 0.00 57.72 56.73 2i7d n HIS 107 Cb 0.38 -0.19 -0.08 0.00 1.12 0.00 0.00 29.99 31.22 2i7d n HIS 107 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2i7d h VAL 109 N -0.69 0.40 -0.41 0.00 2.07 -1.74 -1.39 116.25 114.48 2i7d h VAL 109 Ca -0.52 -0.03 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 2i7d h VAL 109 Cb 1.48 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2i7d h VAL 109 CO -0.30 0.01 -0.15 1.23 0.02 0.00 0.00 177.57 178.38 2i7d h GLY 110 N -0.83 0.83 1.43 2.17 0.00 -1.86 -3.01 103.07 101.80 2i7d h GLY 110 Ca -0.08 -0.65 -0.06 0.00 0.00 0.00 0.00 47.33 46.54 2i7d h GLY 110 CO 0.14 0.60 0.03 0.83 0.00 0.00 0.00 176.54 178.13 2i7d h GLU 111 N 0.69 0.71 -0.44 4.80 5.08 -1.74 -1.99 114.58 121.68 2i7d h GLU 111 Ca 0.11 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2i7d h GLU 111 Cb 0.63 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2i7d h GLU 111 CO 0.04 0.71 0.18 0.87 -1.00 0.00 0.00 179.01 179.81 2i7d h LYS 112 N 0.67 0.66 -0.41 2.33 1.57 -1.13 -0.56 116.57 119.72 2i7d h LYS 112 Ca 0.14 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2i7d h LYS 112 Cb 0.38 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2i7d h LYS 112 CO 0.01 0.61 0.23 1.88 -0.57 0.00 0.00 179.45 181.61 2i7d h TYR 113 N 0.57 0.42 -0.44 -1.35 -1.99 -1.43 -2.17 116.97 110.59 2i7d h TYR 113 Ca 0.15 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.81 2i7d h TYR 113 Cb 0.19 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 38.77 2i7d h TYR 113 CO 0.00 0.24 -0.08 -0.09 -0.00 0.00 0.00 178.16 178.23 2i7d h ARG 114 N 0.46 0.77 -0.40 4.88 9.65 -1.23 -1.52 114.38 126.99 2i7d h ARG 114 Ca 0.17 -0.24 0.01 0.00 -1.10 0.00 0.00 59.98 58.82 2i7d h ARG 114 Cb 0.04 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.52 2i7d h ARG 114 CO -0.09 0.83 0.25 2.35 2.80 0.00 0.00 179.97 186.10 2i7d h TRP 115 N 0.70 0.46 -0.46 2.20 7.01 -0.88 -1.00 115.95 123.99 2i7d h TRP 115 Ca 0.13 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.12 2i7d h TRP 115 Cb 0.54 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.43 2i7d h TRP 115 CO 0.03 0.28 0.20 0.28 -2.79 0.00 0.00 178.44 176.44 2i7d h VAL 116 N 0.50 1.20 -0.35 2.65 2.07 -1.20 -1.46 116.25 119.66 2i7d h VAL 116 Ca 0.15 -0.58 0.06 0.00 0.82 0.00 0.00 66.70 67.15 2i7d h VAL 116 Cb -0.02 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 2i7d h VAL 116 CO -0.06 0.22 0.05 -0.08 0.02 0.00 0.00 177.57 177.72 2i7d h GLU 117 N 0.60 0.15 -0.31 1.57 4.81 -0.99 0.15 114.58 120.55 2i7d h GLU 117 Ca 0.15 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.28 2i7d h GLU 117 Cb 0.16 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2i7d h GLU 117 CO -0.02 0.10 -0.16 1.96 -0.73 0.00 0.00 179.01 180.16 2i7d h GLN 118 N 0.16 0.67 0.00 1.92 4.20 -1.11 -1.82 115.11 119.13 2i7d h GLN 118 Ca 0.17 -0.30 -0.24 0.00 0.06 0.00 0.00 58.65 58.34 2i7d h GLN 118 Cb 0.21 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 2i7d h GLN 118 CO -0.24 0.89 -1.35 0.45 -0.67 0.00 0.00 178.83 177.91 2i7d h HIS 119 N 0.43 0.00 0.00 2.96 3.86 -1.17 -3.41 115.15 117.82 2i7d h HIS 119 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2i7d h HIS 119 Cb 0.70 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.17 2i7d h HIS 119 CO 0.06 0.94 -0.77 1.28 0.86 0.00 0.00 177.93 180.31 2i7d n LEU 120 N -3.16 0.00 0.00 2.43 4.77 -0.02 -5.08 117.00 115.94 2i7d n LEU 120 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2i7d n LEU 120 Cb 0.98 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.07 2i7d n LEU 120 CO 0.45 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 2i7d n GLY 121 N 1.94 1.43 0.29 -0.72 0.00 -0.68 -4.56 105.19 102.88 2i7d n GLY 121 Ca 0.00 -2.00 0.11 0.00 0.00 0.00 0.00 46.02 44.14 2i7d n GLY 121 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2i7d h PRO 122 N 0.00 0.01 -0.14 1.61 0.13 -1.87 -2.33 132.00 129.41 2i7d h PRO 122 Ca 0.00 -0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 2i7d h PRO 122 Cb 0.00 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2i7d h PRO 122 CO 0.00 0.01 -0.18 -0.56 -0.23 0.00 0.00 178.00 177.03 2i7d h GLN 123 N 0.01 0.23 0.00 0.86 -0.00 -1.97 -2.71 115.11 111.53 2i7d h GLN 123 Ca 0.07 -0.06 -0.19 0.00 -0.00 0.00 0.00 58.65 58.47 2i7d h GLN 123 Cb 0.28 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.48 27.70 2i7d h GLN 123 CO -0.00 0.41 -0.91 0.74 -0.00 0.00 0.00 178.83 179.08 2i7d h PHE 124 N 0.22 0.00 -0.98 0.06 0.04 -1.67 -3.30 116.94 111.31 2i7d h PHE 124 Ca 0.04 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.90 2i7d h PHE 124 Cb 0.45 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.53 2i7d h PHE 124 CO 0.01 0.88 0.63 0.28 -0.60 0.00 0.00 178.31 179.51 2i7d h VAL 125 N 0.00 1.01 0.00 -0.55 2.07 -1.28 -1.07 116.25 116.43 2i7d h VAL 125 Ca -0.02 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2i7d h VAL 125 Cb 1.69 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2i7d h VAL 125 CO 0.11 0.19 0.00 -0.62 0.02 0.00 0.00 177.57 177.28 2i7d n GLU 126 N -4.54 0.02 -0.22 1.57 1.02 -1.14 -2.38 120.64 114.96 2i7d n GLU 126 Ca 0.16 0.32 0.11 0.00 -0.02 0.00 0.00 57.16 57.73 2i7d n GLU 126 Cb 0.26 -1.53 0.22 0.00 -0.02 0.00 0.00 31.44 30.37 2i7d n GLU 126 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2i7d n ARG 127 N -1.56 2.49 -2.62 3.49 5.12 -0.41 -4.97 116.66 118.19 2i7d n ARG 127 Ca 0.03 -2.30 -0.41 0.00 -1.93 0.00 0.00 57.85 53.24 2i7d n ARG 127 Cb 0.14 -1.49 -0.04 0.00 -1.16 0.00 0.00 32.46 29.91 2i7d n ARG 127 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2i7d s ILE 128 N -1.31 4.38 -0.20 0.55 1.01 -1.00 -1.20 121.20 123.43 2i7d s ILE 128 Ca 0.38 1.86 0.01 0.00 0.00 0.00 0.00 60.65 62.90 2i7d s ILE 128 Cb 0.22 -4.19 0.03 0.00 0.01 0.00 0.00 42.46 38.53 2i7d s ILE 128 CO 0.30 0.23 -0.17 -0.63 0.00 0.00 0.00 174.94 174.66 2i7d s ILE 129 N 0.43 2.02 -0.23 2.92 1.01 -0.09 -4.95 121.20 122.32 2i7d s ILE 129 Ca 0.51 -1.07 -0.10 0.00 0.00 0.00 0.00 60.65 60.00 2i7d s ILE 129 Cb -0.25 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 2i7d s ILE 129 CO 0.30 0.40 0.14 -0.76 0.00 0.00 0.00 174.94 175.02 2i7d s LEU 130 N 1.27 4.06 -0.13 2.97 1.43 -1.26 -1.44 118.68 125.58 2i7d s LEU 130 Ca 0.02 0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.93 2i7d s LEU 130 Cb -0.15 -2.08 0.09 0.00 0.03 0.00 0.00 46.19 44.09 2i7d s LEU 130 CO -0.11 0.09 0.80 0.28 0.23 0.00 0.00 176.35 177.64 2i7d s THR 131 N 0.92 0.00 -1.36 5.49 -1.32 -0.57 -4.99 115.64 113.82 2i7d s THR 131 Ca 0.07 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.81 2i7d s THR 131 Cb -0.13 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.02 2i7d s THR 131 CO 0.03 0.00 1.53 0.54 -2.21 0.00 0.00 174.62 174.51 2i7d n ARG 132 N 1.21 0.39 -3.82 7.08 5.12 -1.26 -3.79 116.66 121.60 2i7d n ARG 132 Ca -0.15 -0.22 -0.30 0.00 -1.93 0.00 0.00 57.85 55.25 2i7d n ARG 132 Cb 0.57 -1.50 -0.15 0.00 -1.16 0.00 0.00 32.46 30.22 2i7d n ARG 132 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2i7d s ASP 133 N -2.76 4.01 0.15 0.55 -1.08 -1.26 -4.99 116.67 111.29 2i7d s ASP 133 Ca 0.18 -1.56 0.26 0.00 -0.52 0.00 0.00 52.55 50.91 2i7d s ASP 133 Cb 0.18 -1.02 0.82 0.00 -1.46 0.00 0.00 42.92 41.44 2i7d s ASP 133 CO 0.60 -0.37 1.73 0.29 0.52 0.00 0.00 175.17 177.95 2i7d n LYS 134 N 4.74 0.21 0.24 4.34 5.02 -1.26 -3.83 118.16 127.61 2i7d n LYS 134 Ca -0.03 0.15 0.16 0.00 -2.02 0.00 0.00 58.31 56.56 2i7d n LYS 134 Cb 0.43 -1.72 0.62 0.00 -0.02 0.00 0.00 35.03 34.34 2i7d n LYS 134 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2i7d h THR 135 N 0.00 0.00 -0.44 -0.18 1.35 -1.92 -2.51 112.91 109.21 2i7d h THR 135 Ca 0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2i7d h THR 135 Cb 0.68 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2i7d h THR 135 CO 0.00 0.00 0.00 1.33 -0.25 0.00 0.00 175.52 176.60 2i7d n VAL 136 N -2.88 0.60 -4.10 6.82 0.24 -1.25 -4.63 118.33 113.13 2i7d n VAL 136 Ca 0.01 -0.59 -0.34 0.00 -2.04 0.00 0.00 64.34 61.38 2i7d n VAL 136 Cb 0.30 0.29 -0.10 0.00 -1.47 0.00 0.00 33.84 32.85 2i7d n VAL 136 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2i7d s VAL 137 N -1.42 4.53 -0.13 3.34 1.01 -0.95 -5.10 120.40 121.69 2i7d s VAL 137 Ca 0.29 -0.13 -0.27 0.00 0.00 0.00 0.00 61.98 61.88 2i7d s VAL 137 Cb 0.15 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 2i7d s VAL 137 CO 0.20 0.46 0.88 -0.22 0.00 0.00 0.00 175.10 176.43 2i7d s LEU 138 N 0.42 4.23 0.08 3.92 2.96 -1.26 -4.75 118.68 124.28 2i7d s LEU 138 Ca 0.01 1.32 -0.27 0.00 -0.22 0.00 0.00 54.13 54.98 2i7d s LEU 138 Cb -0.13 -3.34 0.09 0.00 0.50 0.00 0.00 46.19 43.31 2i7d s LEU 138 CO 0.01 -0.37 1.12 -0.83 -1.32 0.00 0.00 176.35 174.96 2i7d s GLY 139 N 1.08 -0.22 -0.02 7.98 0.00 -1.26 -5.03 107.32 109.85 2i7d s GLY 139 Ca 0.42 0.23 0.04 0.00 0.00 0.00 0.00 44.72 45.41 2i7d s GLY 139 CO 0.16 1.03 0.74 -0.55 0.00 0.00 0.00 173.10 174.48 2i7d h ASP 140 N 2.00 0.18 -3.89 1.64 5.19 -1.33 -2.55 116.42 117.66 2i7d h ASP 140 Ca -0.27 -0.31 -0.21 0.00 -0.62 0.00 0.00 57.03 55.61 2i7d h ASP 140 Cb 1.21 -0.06 -0.27 0.00 0.18 0.00 0.00 39.33 40.40 2i7d h ASP 140 CO 0.29 1.27 -0.68 -0.76 -3.12 0.00 0.00 179.24 176.24 2i7d s LEU 141 N -6.57 1.90 -0.18 1.55 1.43 -1.12 -1.66 118.68 114.02 2i7d s LEU 141 Ca -0.08 0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 2i7d s LEU 141 Cb 0.08 0.12 0.04 0.00 0.03 0.00 0.00 46.19 46.46 2i7d s LEU 141 CO 0.82 -0.05 -0.10 -0.22 0.23 0.00 0.00 176.35 177.04 2i7d s LEU 142 N -0.16 2.01 -0.34 1.79 2.96 -0.55 -0.87 118.68 123.51 2i7d s LEU 142 Ca -0.02 -0.77 -0.15 0.00 -0.22 0.00 0.00 54.13 52.97 2i7d s LEU 142 Cb -0.01 -1.14 -0.01 0.00 0.50 0.00 0.00 46.19 45.52 2i7d s LEU 142 CO -0.00 -0.14 0.36 -0.63 -1.32 0.00 0.00 176.35 174.61 2i7d s ILE 143 N 1.47 5.17 -0.26 6.68 1.01 -0.39 -0.89 121.20 133.99 2i7d s ILE 143 Ca 0.00 0.04 -0.17 0.00 0.00 0.00 0.00 60.65 60.53 2i7d s ILE 143 Cb -0.15 -3.82 0.07 0.00 0.01 0.00 0.00 42.46 38.57 2i7d s ILE 143 CO -0.08 -0.09 0.65 -0.62 0.00 0.00 0.00 174.94 174.80 2i7d s ASP 144 N 1.73 -0.84 0.23 3.58 -1.08 -1.03 -1.75 116.67 117.52 2i7d s ASP 144 Ca 0.12 1.40 0.25 0.00 -0.52 0.00 0.00 52.55 53.80 2i7d s ASP 144 Cb -0.17 1.31 0.89 0.00 -1.46 0.00 0.00 42.92 43.49 2i7d s ASP 144 CO 0.12 -0.23 1.75 -0.90 0.52 0.00 0.00 175.17 176.42 2i7d n ASP 145 N 3.98 0.74 -4.75 -0.34 5.75 -1.26 -2.28 116.55 118.38 2i7d n ASP 145 Ca -0.19 0.61 -0.41 0.00 -0.01 0.00 0.00 54.79 54.79 2i7d n ASP 145 Cb 0.58 -0.80 -0.02 0.00 -1.03 0.00 0.00 41.12 39.85 2i7d n ASP 145 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2i7d s LYS 146 N -3.19 4.29 0.17 0.11 2.20 -1.26 -4.81 119.74 117.24 2i7d s LYS 146 Ca 0.08 2.28 -0.14 0.00 -0.36 0.00 0.00 55.97 57.83 2i7d s LYS 146 Cb 0.11 -3.09 0.11 0.00 -1.51 0.00 0.00 37.83 33.45 2i7d s LYS 146 CO 0.51 -0.36 1.76 -0.44 -0.36 0.00 0.00 175.35 176.46 2i7d h ASP 147 N 4.50 0.21 -3.60 1.43 5.19 -1.99 -3.41 116.42 118.75 2i7d h ASP 147 Ca -0.47 0.04 -0.33 0.00 -0.62 0.00 0.00 57.03 55.65 2i7d h ASP 147 Cb 1.22 0.01 -0.32 0.00 0.18 0.00 0.00 39.33 40.42 2i7d h ASP 147 CO 0.74 0.15 -0.75 -0.89 -3.12 0.00 0.00 179.24 175.37 2i7d s THR 148 N -6.14 0.22 -0.30 0.35 2.01 -1.26 -5.05 115.64 105.47 2i7d s THR 148 Ca -0.13 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.80 2i7d s THR 148 Cb 0.13 -0.28 0.01 0.00 0.01 0.00 0.00 72.50 72.37 2i7d s THR 148 CO 0.72 0.13 0.10 -0.69 -0.69 0.00 0.00 174.62 174.19 2i7d s VAL 149 N 0.68 4.12 0.30 3.82 1.01 -1.26 -5.09 120.40 123.98 2i7d s VAL 149 Ca -0.07 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.31 2i7d s VAL 149 Cb -0.10 -3.14 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 2i7d s VAL 149 CO -0.01 0.05 -0.03 -0.13 0.00 0.00 0.00 175.10 174.98 2i7d s ARG 150 N 1.52 1.63 0.00 2.72 0.52 -1.26 -4.93 118.95 119.15 2i7d s ARG 150 Ca 0.03 -1.85 0.00 0.00 -0.52 0.00 0.00 55.73 53.39 2i7d s ARG 150 Cb -0.17 -1.19 0.00 0.00 0.52 0.00 0.00 34.95 34.11 2i7d s ARG 150 CO 0.03 -0.00 0.00 0.41 0.02 0.00 0.00 175.30 175.76 2i7d n GLY 151 N -0.65 -0.56 0.23 -3.53 0.00 -1.26 -4.62 105.19 94.80 2i7d n GLY 151 Ca -0.05 -0.76 0.01 0.00 0.00 0.00 0.00 46.02 45.22 2i7d n GLY 151 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2i7d h GLN 152 N 0.00 0.27 -5.73 1.61 4.20 -1.96 -3.41 115.11 110.09 2i7d h GLN 152 Ca 0.00 -0.08 -0.61 0.00 0.06 0.00 0.00 58.65 58.02 2i7d h GLN 152 Cb 0.00 -0.03 -0.11 0.00 0.30 0.00 0.00 27.48 27.64 2i7d h GLN 152 CO 0.00 0.46 0.35 -1.21 -0.67 0.00 0.00 178.83 177.76 2i7d s GLU 153 N -4.58 3.90 0.35 1.46 0.41 -1.26 -4.94 118.70 114.04 2i7d s GLU 153 Ca -0.05 0.47 0.07 0.00 -0.41 0.00 0.00 54.97 55.05 2i7d s GLU 153 Cb 0.15 -3.75 0.65 0.00 -1.78 0.00 0.00 34.13 29.40 2i7d s GLU 153 CO 0.75 -0.70 1.85 1.49 -0.49 0.00 0.00 175.26 178.16 2i7d h GLU 154 N 8.21 0.32 -3.17 1.61 4.81 -1.96 -3.35 114.58 121.04 2i7d h GLU 154 Ca -0.25 -0.09 -0.63 0.00 -0.13 0.00 0.00 59.36 58.27 2i7d h GLU 154 Cb 1.10 -0.04 -0.41 0.00 0.63 0.00 0.00 28.75 30.03 2i7d h GLU 154 CO 0.87 0.49 -0.65 0.99 -0.73 0.00 0.00 179.01 179.99 2i7d s THR 155 N -4.64 2.37 0.74 0.32 2.01 -1.26 -5.10 115.64 110.08 2i7d s THR 155 Ca -0.06 -3.46 -0.15 0.00 0.31 0.00 0.00 61.69 58.33 2i7d s THR 155 Cb 0.15 -2.61 0.03 0.00 0.01 0.00 0.00 72.50 70.07 2i7d s THR 155 CO 0.75 -0.90 1.10 -2.65 -0.69 0.00 0.00 174.62 172.23 2i7d n PRO 156 N 2.82 0.52 -0.09 4.92 -0.02 -1.26 -4.93 135.00 136.96 2i7d n PRO 156 Ca 0.11 0.24 -0.04 0.00 -2.02 0.00 0.00 63.50 61.80 2i7d n PRO 156 Cb 0.34 -2.35 0.18 0.00 -0.02 0.00 0.00 33.50 31.66 2i7d n PRO 156 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2i7d h SER 157 N -0.31 0.72 -3.88 2.55 4.64 -1.83 -3.45 113.55 111.98 2i7d h SER 157 Ca -0.48 -0.17 -0.48 0.00 -0.47 0.00 0.00 61.79 60.20 2i7d h SER 157 Cb 1.32 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 2i7d h SER 157 CO 0.48 0.78 0.21 -1.66 -0.87 0.00 0.00 176.83 175.77 2i7d s TRP 158 N -4.98 3.40 -0.15 4.77 1.48 -0.96 -4.71 118.94 117.80 2i7d s TRP 158 Ca -0.09 1.30 -0.23 0.00 -1.06 0.00 0.00 56.10 56.02 2i7d s TRP 158 Cb 0.15 -2.62 -0.02 0.00 -1.16 0.00 0.00 33.47 29.81 2i7d s TRP 158 CO 0.80 -0.09 0.72 -2.00 -4.06 0.00 0.00 176.95 172.33 2i7d s GLU 159 N -3.46 4.31 -0.19 3.25 2.12 -0.67 -4.88 118.70 119.19 2i7d s GLU 159 Ca 0.56 0.84 -0.29 0.00 0.36 0.00 0.00 54.97 56.44 2i7d s GLU 159 Cb -0.10 -3.54 -0.01 0.00 0.26 0.00 0.00 34.13 30.75 2i7d s GLU 159 CO 0.23 -0.18 1.20 -1.58 -0.54 0.00 0.00 175.26 174.39 2i7d s HIS 160 N 1.65 2.98 -0.36 5.30 5.65 -1.26 -1.49 115.29 127.77 2i7d s HIS 160 Ca 0.35 1.13 -0.12 0.00 0.25 0.00 0.00 55.06 56.67 2i7d s HIS 160 Cb -0.17 -3.44 0.00 0.00 -1.18 0.00 0.00 32.58 27.80 2i7d s HIS 160 CO 0.13 -1.36 0.23 0.42 -0.65 0.00 0.00 174.74 173.51 2i7d s ILE 161 N 3.43 4.94 -0.10 0.89 -1.09 -0.07 -4.80 121.20 124.40 2i7d s ILE 161 Ca 0.52 -0.53 -0.29 0.00 -2.23 0.00 0.00 60.65 58.11 2i7d s ILE 161 Cb -0.20 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.00 2i7d s ILE 161 CO 0.12 -0.12 1.60 -0.22 -1.23 0.00 0.00 174.94 175.09 2i7d s LEU 162 N 1.64 4.21 -0.23 2.97 2.96 -1.21 -2.45 118.68 126.58 2i7d s LEU 162 Ca 0.04 2.04 -0.19 0.00 -0.22 0.00 0.00 54.13 55.81 2i7d s LEU 162 Cb -0.18 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 2i7d s LEU 162 CO 0.08 -0.98 0.56 0.12 -1.32 0.00 0.00 176.35 174.82 2i7d s PHE 163 N 4.23 3.32 0.19 5.38 5.36 -0.97 -1.15 117.98 134.35 2i7d s PHE 163 Ca 0.71 0.77 -0.31 0.00 -0.96 0.00 0.00 56.93 57.14 2i7d s PHE 163 Cb -0.30 -2.75 -0.10 0.00 -0.34 0.00 0.00 43.02 39.53 2i7d s PHE 163 CO 0.27 -0.22 1.57 0.99 -1.46 0.00 0.00 175.22 176.38 2i7d s THR 164 N 2.09 2.50 0.07 0.12 2.01 -0.68 -4.19 115.64 117.56 2i7d s THR 164 Ca 0.25 0.37 -0.08 0.00 0.31 0.00 0.00 61.69 62.54 2i7d s THR 164 Cb -0.16 -3.24 -0.01 0.00 0.01 0.00 0.00 72.50 69.11 2i7d s THR 164 CO 0.09 0.04 0.16 0.00 -0.69 0.00 0.00 174.62 174.21 2i7d h HIS 167 N 0.16 0.00 -0.01 0.00 2.07 -1.84 -3.20 115.15 112.34 2i7d h HIS 167 Ca 0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.01 2i7d h HIS 167 Cb 0.92 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.90 2i7d h HIS 167 CO -0.34 0.02 -0.06 0.27 -3.07 0.00 0.00 177.93 174.75 2i7d n ASN 168 N -3.11 1.76 0.02 3.10 0.23 -0.55 -3.09 115.26 113.61 2i7d n ASN 168 Ca 0.01 -1.38 0.06 0.00 -0.53 0.00 0.00 54.58 52.75 2i7d n ASN 168 Cb 0.35 0.12 0.47 0.00 -2.08 0.00 0.00 39.78 38.65 2i7d n ASN 168 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 2i7d h ARG 169 N 1.94 0.43 0.00 -3.83 2.43 -1.40 -2.04 114.38 111.90 2i7d h ARG 169 Ca 0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2i7d h ARG 169 Cb 0.44 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2i7d h ARG 169 CO 0.00 0.28 -0.11 1.12 -1.51 0.00 0.00 179.97 179.75 2i7d h HIS 170 N 0.44 0.00 -3.93 2.20 2.07 -1.84 -3.44 115.15 110.64 2i7d h HIS 170 Ca 0.15 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.16 2i7d h HIS 170 Cb 0.08 0.00 0.07 0.00 2.57 0.00 0.00 27.41 30.13 2i7d h HIS 170 CO -0.00 0.11 0.58 -0.51 -3.07 0.00 0.00 177.93 175.05 2i7d s LEU 171 N -7.12 4.27 -0.22 6.12 1.43 -0.77 -5.03 118.68 117.36 2i7d s LEU 171 Ca -0.02 2.56 -0.02 0.00 -1.03 0.00 0.00 54.13 55.62 2i7d s LEU 171 Cb 0.13 -3.87 0.01 0.00 0.03 0.00 0.00 46.19 42.49 2i7d s LEU 171 CO 0.58 -0.71 -0.09 -0.69 0.23 0.00 0.00 176.35 175.67 2i7d s VAL 172 N -1.27 2.90 0.39 -1.59 1.01 -1.26 -5.12 120.40 115.46 2i7d s VAL 172 Ca 0.55 -0.76 -0.23 0.00 0.00 0.00 0.00 61.98 61.54 2i7d s VAL 172 Cb -0.36 -2.34 -0.10 0.00 0.00 0.00 0.00 36.38 33.57 2i7d s VAL 172 CO 0.47 0.39 0.95 -0.76 0.00 0.00 0.00 175.10 176.14 2i7d s LEU 173 N 1.39 4.08 0.91 3.92 1.43 -1.26 -5.07 118.68 124.09 2i7d s LEU 173 Ca 0.04 1.76 -0.12 0.00 -1.03 0.00 0.00 54.13 54.78 2i7d s LEU 173 Cb -0.15 -4.35 0.14 0.00 0.03 0.00 0.00 46.19 41.87 2i7d s LEU 173 CO -0.06 -0.27 1.09 -2.16 0.23 0.00 0.00 176.35 175.18 2i7d s PRO 174 N -2.77 1.11 0.38 1.29 0.04 -1.26 -4.91 135.00 128.87 2i7d s PRO 174 Ca 0.58 0.81 0.26 0.00 0.04 0.00 0.00 61.00 62.69 2i7d s PRO 174 Cb -0.13 -1.79 1.36 0.00 0.04 0.00 0.00 34.50 33.98 2i7d s PRO 174 CO 0.17 -2.34 1.79 -1.35 0.04 0.00 0.00 177.00 175.31 2i7d h PRO 175 N -1.62 0.00 -0.00 0.56 0.11 -2.06 -2.19 132.00 126.80 2i7d h PRO 175 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2i7d h PRO 175 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2i7d h PRO 175 CO 0.54 0.00 -0.07 0.25 -0.21 0.00 0.00 178.00 178.51 2i7d n THR 176 N -2.41 0.00 -4.41 -1.15 -2.24 -1.26 -4.91 114.28 97.90 2i7d n THR 176 Ca -0.01 -0.02 -0.20 0.00 -2.27 0.00 0.00 64.05 61.54 2i7d n THR 176 Cb 0.07 -0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 67.88 2i7d n THR 176 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2i7d s ARG 177 N -2.62 1.53 -0.06 -0.78 0.52 -0.82 -5.16 118.95 111.56 2i7d s ARG 177 Ca 0.26 -1.79 0.04 0.00 -0.52 0.00 0.00 55.73 53.72 2i7d s ARG 177 Cb 0.20 -0.98 -0.00 0.00 0.52 0.00 0.00 34.95 34.69 2i7d s ARG 177 CO 0.49 -0.04 -0.19 1.03 0.02 0.00 0.00 175.30 176.61 2i7d s ARG 178 N -3.79 2.06 -0.06 3.54 0.52 -1.26 -4.82 118.95 115.14 2i7d s ARG 178 Ca 0.31 -0.67 0.03 0.00 -0.52 0.00 0.00 55.73 54.88 2i7d s ARG 178 Cb 0.05 -1.73 -0.03 0.00 0.52 0.00 0.00 34.95 33.77 2i7d s ARG 178 CO 0.12 0.23 -0.13 0.50 0.02 0.00 0.00 175.30 176.04 2i7d s ARG 179 N 0.13 2.60 -0.30 3.54 3.52 -1.26 -3.28 118.95 123.89 2i7d s ARG 179 Ca -0.07 -0.67 -0.11 0.00 -0.13 0.00 0.00 55.73 54.75 2i7d s ARG 179 Cb -0.13 -2.43 -0.03 0.00 -1.56 0.00 0.00 34.95 30.80 2i7d s ARG 179 CO 0.04 0.60 0.19 -1.17 -0.81 0.00 0.00 175.30 174.14 2i7d s LEU 180 N -0.67 4.15 0.30 -0.88 2.96 -0.30 -4.97 118.68 119.27 2i7d s LEU 180 Ca 0.10 -0.30 0.07 0.00 -0.22 0.00 0.00 54.13 53.78 2i7d s LEU 180 Cb -0.11 -2.08 0.46 0.00 0.50 0.00 0.00 46.19 44.96 2i7d s LEU 180 CO 0.01 -0.15 1.70 -0.07 -1.32 0.00 0.00 176.35 176.52 2i7d h LEU 181 N 8.39 0.24 -7.72 -0.68 3.38 -1.88 -1.81 115.31 115.23 2i7d h LEU 181 Ca -0.33 -0.10 0.34 0.00 0.09 0.00 0.00 57.88 57.88 2i7d h LEU 181 Cb 1.17 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.77 2i7d h LEU 181 CO 0.60 0.63 0.89 -0.94 0.09 0.00 0.00 178.44 179.71 2i7d s SER 182 N -6.88 -0.01 0.15 -0.43 1.04 -1.26 -4.53 113.70 101.78 2i7d s SER 182 Ca -0.04 -0.17 0.19 0.00 0.48 0.00 0.00 55.95 56.41 2i7d s SER 182 Cb 0.13 0.14 0.81 0.00 0.10 0.00 0.00 66.02 67.21 2i7d s SER 182 CO 0.77 -0.27 1.59 0.79 0.98 0.00 0.00 173.24 177.10 2i7d n TRP 183 N -0.78 0.45 1.44 5.02 7.02 -1.26 -2.14 117.44 127.19 2i7d n TRP 183 Ca -0.00 0.18 0.14 0.00 -1.02 0.00 0.00 57.50 56.80 2i7d n TRP 183 Cb 0.60 -0.79 0.62 0.00 -2.42 0.00 0.00 31.31 29.32 2i7d n TRP 183 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 2i7d n SER 184 N -1.91 0.49 -1.80 -0.99 3.41 -1.26 -4.56 113.62 106.99 2i7d n SER 184 Ca 0.03 -0.63 -0.11 0.00 -0.26 0.00 0.00 58.87 57.89 2i7d n SER 184 Cb 0.20 -0.07 0.01 0.00 -0.26 0.00 0.00 64.21 64.09 2i7d n SER 184 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2i7d n ASP 185 N -0.91 6.03 -3.45 4.04 2.03 -0.91 -4.87 116.55 118.51 2i7d n ASP 185 Ca 0.15 -2.82 -0.18 0.00 0.52 0.00 0.00 54.79 52.46 2i7d n ASP 185 Cb 0.27 -1.11 0.07 0.00 -0.72 0.00 0.00 41.12 39.64 2i7d n ASP 185 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2i7d n ASN 186 N 0.88 -2.84 0.26 1.67 3.02 -1.26 -4.83 115.26 112.15 2i7d n ASN 186 Ca 0.21 -0.69 0.09 0.00 -0.03 0.00 0.00 54.58 54.17 2i7d n ASN 186 Cb 0.57 -4.89 0.66 0.00 -0.61 0.00 0.00 39.78 35.50 2i7d n ASN 186 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 2i7d h TRP 187 N -1.74 0.00 -0.78 3.10 5.08 -1.89 -2.82 115.95 116.90 2i7d h TRP 187 Ca -0.60 0.00 0.05 0.00 1.08 0.00 0.00 58.89 59.42 2i7d h TRP 187 Cb 1.34 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 27.45 2i7d h TRP 187 CO 0.41 0.06 0.51 0.00 -1.28 0.00 0.00 178.44 178.14 2i7d h ARG 188 N 0.00 0.88 -0.38 0.12 3.08 -1.97 -1.84 114.38 114.27 2i7d h ARG 188 Ca -0.00 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 2i7d h ARG 188 Cb 0.11 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2i7d h ARG 188 CO 0.01 0.58 -0.06 0.93 -1.07 0.00 0.00 179.97 180.36 2i7d h GLU 189 N 0.90 0.64 -0.12 0.04 5.08 -1.89 -1.06 114.58 118.17 2i7d h GLU 189 Ca 0.32 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2i7d h GLU 189 Cb 0.14 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2i7d h GLU 189 CO -0.10 0.70 0.06 0.82 -1.00 0.00 0.00 179.01 179.49 2i7d h ILE 190 N 0.60 1.13 -0.95 3.13 2.04 -1.45 -2.59 117.51 119.42 2i7d h ILE 190 Ca 0.11 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.60 2i7d h ILE 190 Cb 0.47 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 2i7d h ILE 190 CO 0.02 0.12 0.62 -0.07 0.00 0.00 0.00 178.15 178.85 2i7d h LEU 191 N 0.06 1.07 -1.83 1.44 4.07 -1.28 -2.78 115.31 116.06 2i7d h LEU 191 Ca 0.04 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 2i7d h LEU 191 Cb 0.14 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 2i7d h LEU 191 CO -0.00 0.77 0.07 0.44 -1.08 0.00 0.00 178.44 178.63 2i7d h ASP 192 N 1.26 0.16 0.08 -0.43 3.32 -1.03 -1.12 116.42 118.66 2i7d h ASP 192 Ca 0.35 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.40 2i7d h ASP 192 Cb -0.11 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2i7d h ASP 192 CO -0.09 0.13 0.00 0.77 -1.72 0.00 0.00 179.24 178.34 2i7d h SER 193 N 0.18 0.00 -0.07 6.45 4.64 -1.17 -2.55 113.55 121.04 2i7d h SER 193 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2i7d h SER 193 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2i7d h SER 193 CO -0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.24 2i7d n LYS 194 N -2.87 2.06 0.00 4.77 4.76 -0.42 -5.14 118.16 121.32 2i7d n LYS 194 Ca -0.02 -1.84 0.14 0.00 -2.87 0.00 0.00 58.31 53.71 2i7d n LYS 194 Cb 0.08 -1.42 0.52 0.00 -1.84 0.00 0.00 35.03 32.37 2i7d n LYS 194 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57