#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y18 s VAL 2 N 0.00 2.25 -0.05 2.62 1.01 -1.26 -3.88 120.40 121.10 1y18 s VAL 2 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1y18 s VAL 2 Cb 0.00 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.38 1y18 s VAL 2 CO 0.00 0.00 -0.03 -0.54 0.00 0.00 0.00 175.10 174.54 1y18 s LYS 3 N 1.88 0.69 -0.17 2.72 1.02 0.14 -4.96 119.74 121.06 1y18 s LYS 3 Ca 0.78 -0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.75 1y18 s LYS 3 Cb -0.48 -0.81 0.03 0.00 -0.52 0.00 0.00 37.83 36.05 1y18 s LYS 3 CO 0.34 -0.14 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.99 1y18 s LEU 4 N 1.18 1.90 -0.24 3.17 1.43 -1.26 -1.57 118.68 123.29 1y18 s LEU 4 Ca -0.07 -0.63 0.02 0.00 -1.03 0.00 0.00 54.13 52.41 1y18 s LEU 4 Cb -0.14 -1.19 0.05 0.00 0.03 0.00 0.00 46.19 44.95 1y18 s LEU 4 CO -0.01 -0.09 -0.10 -0.22 0.23 0.00 0.00 176.35 176.15 1y18 s LEU 5 N 1.46 2.96 0.49 1.79 2.96 -0.33 -4.33 118.68 123.68 1y18 s LEU 5 Ca 0.03 -1.21 -0.06 0.00 -0.22 0.00 0.00 54.13 52.67 1y18 s LEU 5 Cb -0.14 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 1y18 s LEU 5 CO -0.10 -0.18 0.81 -1.61 -1.32 0.00 0.00 176.35 173.95 1y18 s GLU 6 N 1.23 3.55 0.12 1.98 8.01 -1.26 -0.86 118.70 131.47 1y18 s GLU 6 Ca -0.06 0.26 -0.25 0.00 0.01 0.00 0.00 54.97 54.93 1y18 s GLU 6 Cb -0.19 -2.35 0.08 0.00 -4.31 0.00 0.00 34.13 27.36 1y18 s GLU 6 CO -0.06 -0.24 0.71 -1.54 0.01 0.00 0.00 175.26 174.14 1y18 s SER 7 N -4.09 -0.47 0.00 -0.19 1.04 0.02 -4.83 113.70 105.18 1y18 s SER 7 Ca 0.48 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.85 1y18 s SER 7 Cb -0.10 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1y18 s SER 7 CO 0.45 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1y18 n GLY 8 N -0.35 0.69 3.46 7.32 0.00 -1.26 -0.73 105.19 114.32 1y18 n GLY 8 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 1y18 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y18 s GLY 9 N -1.87 1.50 0.00 -0.02 0.00 -1.26 -4.79 107.32 100.88 1y18 s GLY 9 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.02 1y18 s GLY 9 CO 0.00 0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.90 1y18 n GLY 10 N 0.32 1.00 3.72 0.20 0.00 0.15 -4.95 105.19 105.64 1y18 n GLY 10 Ca 0.10 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 1y18 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1y18 s LEU 11 N 0.00 4.44 0.16 0.99 2.96 -1.26 -1.65 118.68 124.32 1y18 s LEU 11 Ca 0.00 1.88 0.03 0.00 -0.22 0.00 0.00 54.13 55.81 1y18 s LEU 11 Cb 0.00 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.06 1y18 s LEU 11 CO 0.00 -0.23 -0.03 0.00 -1.32 0.00 0.00 176.35 174.76 1y18 s ALA 12 N 0.40 1.37 -0.10 5.97 0.00 0.89 -4.93 121.76 125.35 1y18 s ALA 12 Ca 0.51 -1.55 -0.11 0.00 0.00 0.00 0.00 51.96 50.82 1y18 s ALA 12 Cb -0.25 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 1y18 s ALA 12 CO 0.30 -0.24 0.24 -0.65 0.00 0.00 0.00 175.76 175.41 1y18 s GLN 13 N -3.86 3.78 0.40 0.00 -0.21 -1.26 -0.98 119.66 117.54 1y18 s GLN 13 Ca 0.21 0.04 -0.25 0.00 0.02 0.00 0.00 55.36 55.38 1y18 s GLN 13 Cb 0.05 -3.26 -0.11 0.00 1.00 0.00 0.00 33.01 30.69 1y18 s GLN 13 CO 0.02 0.61 1.11 -0.35 -2.12 0.00 0.00 175.29 174.56 1y18 n PRO 14 N 2.37 1.57 0.00 2.91 -0.04 -1.26 -0.60 135.00 139.95 1y18 n PRO 14 Ca -0.17 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1y18 n PRO 14 Cb 0.53 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 1y18 n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1y18 n GLY 15 N 1.05 2.52 1.55 0.55 0.00 0.26 -4.89 105.19 106.24 1y18 n GLY 15 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1y18 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y18 n GLY 16 N -2.00 -0.80 3.37 -0.02 0.00 0.23 -4.06 105.19 101.92 1y18 n GLY 16 Ca 0.00 -1.76 -0.19 0.00 0.00 0.00 0.00 46.02 44.07 1y18 n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y18 s SER 17 N -2.88 2.59 -0.25 1.61 0.01 -1.26 -1.61 113.70 111.91 1y18 s SER 17 Ca 0.29 -1.10 -0.24 0.00 1.31 0.00 0.00 55.95 56.21 1y18 s SER 17 Cb -0.01 -0.14 0.07 0.00 0.21 0.00 0.00 66.02 66.15 1y18 s SER 17 CO 0.20 -0.26 0.69 -0.22 0.41 0.00 0.00 173.24 174.06 1y18 s LEU 18 N -3.36 -0.64 -0.23 2.44 2.96 -0.04 -4.96 118.68 114.84 1y18 s LEU 18 Ca 0.25 1.38 -0.02 0.00 -0.22 0.00 0.00 54.13 55.52 1y18 s LEU 18 Cb 0.01 2.38 0.01 0.00 0.50 0.00 0.00 46.19 49.09 1y18 s LEU 18 CO 0.09 -0.25 -0.08 -0.75 -1.32 0.00 0.00 176.35 174.04 1y18 s LYS 19 N 0.33 3.05 0.13 1.98 2.20 -1.26 0.83 119.74 127.00 1y18 s LYS 19 Ca -0.00 -0.83 -0.01 0.00 -0.36 0.00 0.00 55.97 54.77 1y18 s LYS 19 Cb -0.05 -2.92 -0.04 0.00 -1.51 0.00 0.00 37.83 33.31 1y18 s LYS 19 CO 0.01 -0.30 0.30 -0.51 -0.36 0.00 0.00 175.35 174.49 1y18 s LEU 20 N 1.37 4.31 0.13 5.43 1.43 0.52 -4.68 118.68 127.20 1y18 s LEU 20 Ca 0.03 0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 1y18 s LEU 20 Cb -0.15 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 1y18 s LEU 20 CO -0.06 0.08 -0.09 -0.44 0.23 0.00 0.00 176.35 176.07 1y18 s SER 21 N -2.79 1.63 -0.04 2.29 0.01 0.09 -1.29 113.70 113.59 1y18 s SER 21 Ca 0.37 -1.01 -0.01 0.00 1.31 0.00 0.00 55.95 56.61 1y18 s SER 21 Cb -0.12 0.02 0.03 0.00 0.21 0.00 0.00 66.02 66.16 1y18 s SER 21 CO 0.28 -0.36 0.07 0.00 0.41 0.00 0.00 173.24 173.64 1y18 s ALA 23 N 1.44 3.60 0.17 0.00 0.00 -0.04 -1.49 121.76 125.45 1y18 s ALA 23 Ca -0.05 -0.73 0.10 0.00 0.00 0.00 0.00 51.96 51.28 1y18 s ALA 23 Cb -0.12 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 1y18 s ALA 23 CO -0.04 0.11 -0.18 0.00 0.00 0.00 0.00 175.76 175.66 1y18 s ALA 24 N 0.46 2.70 0.02 0.00 0.00 -0.19 -1.19 121.76 123.56 1y18 s ALA 24 Ca 0.07 -1.52 -0.28 0.00 0.00 0.00 0.00 51.96 50.23 1y18 s ALA 24 Cb -0.12 -0.53 0.10 0.00 0.00 0.00 0.00 23.12 22.57 1y18 s ALA 24 CO -0.01 0.48 0.83 -1.54 0.00 0.00 0.00 175.76 175.52 1y18 s SER 25 N -2.61 -0.42 0.00 0.00 1.04 -0.61 -4.83 113.70 106.27 1y18 s SER 25 Ca 0.21 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1y18 s SER 25 Cb -0.09 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1y18 s SER 25 CO 0.12 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1y18 n GLY 26 N -0.18 0.61 3.45 7.32 0.00 -1.25 0.23 105.19 115.37 1y18 n GLY 26 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 1y18 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1y18 s PHE 27 N -2.30 -0.48 -1.18 1.61 -0.71 -1.26 -4.10 117.98 109.56 1y18 s PHE 27 Ca 0.00 0.30 -0.23 0.00 -1.04 0.00 0.00 56.93 55.97 1y18 s PHE 27 Cb 0.00 0.55 -0.09 0.00 -1.21 0.00 0.00 43.02 42.27 1y18 s PHE 27 CO 0.00 -0.76 1.94 -3.47 -1.34 0.00 0.00 175.22 171.59 1y18 n ASP 28 N -0.33 3.04 -0.33 1.98 -0.08 -1.26 -4.78 116.55 114.80 1y18 n ASP 28 Ca -0.15 -2.70 0.19 0.00 -1.51 0.00 0.00 54.79 50.63 1y18 n ASP 28 Cb 0.64 -1.72 0.37 0.00 2.34 0.00 0.00 41.12 42.75 1y18 n ASP 28 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1y18 h PHE 29 N 9.65 0.25 0.00 -0.67 3.57 -1.95 0.25 116.94 128.04 1y18 h PHE 29 Ca 0.22 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1y18 h PHE 29 Cb 0.93 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.72 1y18 h PHE 29 CO 1.21 -0.42 0.13 -0.09 -2.23 0.00 0.00 178.31 176.91 1y18 h ARG 30 N 0.04 0.00 -0.02 1.11 2.43 -1.86 -2.20 114.38 113.87 1y18 h ARG 30 Ca 0.66 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.83 1y18 h ARG 30 Cb 1.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 1y18 h ARG 30 CO -0.85 0.00 -0.05 0.54 -1.51 0.00 0.00 179.97 178.11 1y18 n ARG 31 N -2.48 1.60 -4.29 0.20 1.74 0.88 -4.74 116.66 109.56 1y18 n ARG 31 Ca -0.02 -1.52 -0.29 0.00 -0.77 0.00 0.00 57.85 55.25 1y18 n ARG 31 Cb 0.17 -1.35 -0.11 0.00 -1.02 0.00 0.00 32.46 30.15 1y18 n ARG 31 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1y18 s TYR 32 N -1.62 2.58 0.34 -1.55 1.51 -0.83 -4.89 117.35 112.88 1y18 s TYR 32 Ca 0.21 -0.24 -0.25 0.00 -1.01 0.00 0.00 57.07 55.78 1y18 s TYR 32 Cb 0.15 -1.34 -0.10 0.00 -0.11 0.00 0.00 41.96 40.57 1y18 s TYR 32 CO 0.26 0.42 0.94 -1.58 -1.11 0.00 0.00 175.55 174.48 1y18 s TRP 33 N -1.29 3.63 0.16 2.71 0.52 -1.24 -3.99 118.94 119.44 1y18 s TRP 33 Ca 0.20 1.74 0.11 0.00 0.02 0.00 0.00 56.10 58.17 1y18 s TRP 33 Cb -0.10 -2.90 -0.04 0.00 -1.15 0.00 0.00 33.47 29.27 1y18 s TRP 33 CO 0.12 0.16 -0.25 -1.64 0.02 0.00 0.00 176.95 175.35 1y18 s MET 34 N -2.25 1.45 0.05 4.98 -1.94 -0.36 -1.51 119.30 119.72 1y18 s MET 34 Ca 0.52 -1.44 0.02 0.00 -1.71 0.00 0.00 55.69 53.09 1y18 s MET 34 Cb -0.17 -1.85 -0.03 0.00 2.01 0.00 0.00 34.83 34.80 1y18 s MET 34 CO 0.22 0.42 -0.08 0.99 -0.01 0.00 0.00 175.02 176.55 1y18 s THR 35 N -1.39 0.61 -0.09 2.05 2.01 0.15 -0.47 115.64 118.51 1y18 s THR 35 Ca 0.17 -1.21 0.04 0.00 0.31 0.00 0.00 61.69 61.01 1y18 s THR 35 Cb -0.09 -0.78 -0.00 0.00 0.01 0.00 0.00 72.50 71.64 1y18 s THR 35 CO 0.08 -0.43 -0.24 0.26 -0.69 0.00 0.00 174.62 173.60 1y18 s TRP 36 N -1.65 2.55 -0.01 4.92 0.52 -0.59 0.23 118.94 124.90 1y18 s TRP 36 Ca -0.07 -0.97 0.02 0.00 0.02 0.00 0.00 56.10 55.10 1y18 s TRP 36 Cb -0.08 -1.69 -0.00 0.00 -1.15 0.00 0.00 33.47 30.54 1y18 s TRP 36 CO -0.00 -0.37 -0.06 0.08 0.02 0.00 0.00 176.95 176.62 1y18 s VAL 37 N 0.24 0.50 0.31 4.03 1.01 -0.56 -1.19 120.40 124.74 1y18 s VAL 37 Ca -0.16 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 61.64 1y18 s VAL 37 Cb -0.17 -0.43 -0.06 0.00 0.00 0.00 0.00 36.38 35.72 1y18 s VAL 37 CO 0.08 0.15 -0.05 0.00 0.00 0.00 0.00 175.10 175.27 1y18 s ARG 38 N -0.07 1.66 -0.22 2.72 1.70 -0.44 0.15 118.95 124.46 1y18 s ARG 38 Ca 0.01 -1.86 -0.04 0.00 -0.47 0.00 0.00 55.73 53.38 1y18 s ARG 38 Cb -0.03 -1.31 0.10 0.00 -0.57 0.00 0.00 34.95 33.13 1y18 s ARG 38 CO -0.00 0.04 0.22 -1.14 -1.08 0.00 0.00 175.30 173.34 1y18 s GLN 39 N -3.71 0.20 0.61 3.89 0.74 0.21 -0.92 119.66 120.69 1y18 s GLN 39 Ca 0.31 0.10 -0.12 0.00 0.05 0.00 0.00 55.36 55.70 1y18 s GLN 39 Cb 0.04 -1.16 -0.04 0.00 1.10 0.00 0.00 33.01 32.95 1y18 s GLN 39 CO 0.14 -0.73 1.03 0.00 -0.55 0.00 0.00 175.29 175.18 1y18 s ALA 40 N 2.31 2.99 0.21 1.58 0.00 -1.26 -1.43 121.76 126.16 1y18 s ALA 40 Ca 0.07 0.02 -0.32 0.00 0.00 0.00 0.00 51.96 51.73 1y18 s ALA 40 Cb -0.16 -3.11 -0.14 0.00 0.00 0.00 0.00 23.12 19.71 1y18 s ALA 40 CO -0.16 -0.71 1.41 -2.30 0.00 0.00 0.00 175.76 174.00 1y18 n PRO 41 N -2.55 1.90 -1.94 0.00 -0.02 -1.26 -1.72 135.00 129.41 1y18 n PRO 41 Ca 0.07 0.68 -0.20 0.00 -2.02 0.00 0.00 63.50 62.03 1y18 n PRO 41 Cb 0.54 -2.34 -0.05 0.00 -0.02 0.00 0.00 33.50 31.63 1y18 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y18 n GLY 42 N 2.43 0.82 3.38 -1.23 0.00 -1.26 -4.96 105.19 104.37 1y18 n GLY 42 Ca 0.14 -0.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1y18 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y18 s LYS 43 N -4.27 1.56 0.00 1.61 -0.14 -0.70 -5.16 119.74 112.64 1y18 s LYS 43 Ca 0.00 -1.87 0.00 0.00 -1.36 0.00 0.00 55.97 52.74 1y18 s LYS 43 Cb 0.00 -0.47 0.00 0.00 -1.68 0.00 0.00 37.83 35.68 1y18 s LYS 43 CO 0.00 -0.30 0.00 0.41 -0.76 0.00 0.00 175.35 174.70 1y18 n GLY 44 N -0.59 1.37 3.78 -3.33 0.00 -1.26 -4.66 105.19 100.50 1y18 n GLY 44 Ca -0.01 -2.03 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 1y18 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y18 s LEU 45 N 0.00 3.47 -0.06 0.99 1.43 -1.26 -4.29 118.68 118.96 1y18 s LEU 45 Ca 0.00 1.94 -0.03 0.00 -1.03 0.00 0.00 54.13 55.01 1y18 s LEU 45 Cb 0.00 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.71 1y18 s LEU 45 CO 0.00 -1.39 0.11 -0.70 0.23 0.00 0.00 176.35 174.61 1y18 s GLU 46 N -4.00 -0.01 0.06 1.70 2.12 -0.10 -4.99 118.70 113.49 1y18 s GLU 46 Ca 0.66 0.46 -0.31 0.00 0.36 0.00 0.00 54.97 56.15 1y18 s GLU 46 Cb -0.19 -0.36 -0.06 0.00 0.26 0.00 0.00 34.13 33.78 1y18 s GLU 46 CO 0.38 -0.30 1.30 -0.46 -0.54 0.00 0.00 175.26 175.63 1y18 s TRP 47 N 2.12 3.27 -0.22 5.30 -0.00 -1.26 -1.33 118.94 126.82 1y18 s TRP 47 Ca 0.03 1.10 -0.11 0.00 -0.00 0.00 0.00 56.10 57.12 1y18 s TRP 47 Cb -0.12 -3.55 -0.18 0.00 -0.00 0.00 0.00 33.47 29.62 1y18 s TRP 47 CO -0.05 -1.85 -0.00 -0.89 -0.00 0.00 0.00 176.95 174.17 1y18 n ILE 48 N 4.08 1.58 0.00 5.86 5.41 -0.33 -4.50 119.36 131.46 1y18 n ILE 48 Ca 0.11 -0.39 0.00 0.00 1.00 0.00 0.00 62.75 63.46 1y18 n ILE 48 Cb 0.44 -1.79 0.00 0.00 -0.71 0.00 0.00 39.64 37.59 1y18 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1y18 n GLY 49 N 1.70 1.48 3.19 7.39 0.00 -1.18 -0.87 105.19 116.90 1y18 n GLY 49 Ca -0.41 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 1y18 n GLY 49 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1y18 s ASP 50 N 0.00 0.46 -0.02 1.61 1.47 -0.24 -1.55 116.67 118.40 1y18 s ASP 50 Ca 0.00 -1.26 0.00 0.00 1.18 0.00 0.00 52.55 52.47 1y18 s ASP 50 Cb 0.00 0.28 0.02 0.00 -0.34 0.00 0.00 42.92 42.88 1y18 s ASP 50 CO 0.00 -0.73 0.00 -0.51 0.68 0.00 0.00 175.17 174.61 1y18 s ILE 51 N -4.00 0.09 0.81 2.11 2.07 0.38 -1.59 121.20 121.07 1y18 s ILE 51 Ca 0.29 0.08 -0.12 0.00 -1.41 0.00 0.00 60.65 59.49 1y18 s ILE 51 Cb 0.07 -0.16 0.08 0.00 0.13 0.00 0.00 42.46 42.58 1y18 s ILE 51 CO 0.05 0.09 1.12 0.54 -1.91 0.00 0.00 174.94 174.84 1y18 s ASN 52 N 0.70 4.40 0.12 4.50 4.22 -0.85 -1.23 114.94 126.80 1y18 s ASN 52 Ca -0.06 1.07 -0.28 0.00 -2.14 0.00 0.00 52.86 51.45 1y18 s ASN 52 Cb -0.09 -1.72 -0.09 0.00 1.28 0.00 0.00 41.25 40.62 1y18 s ASN 52 CO -0.02 -2.00 1.47 -0.65 -2.04 0.00 0.00 177.10 173.86 1y18 h PRO 52 N -1.11 -0.26 -0.39 3.55 0.11 -1.85 -1.92 132.00 130.12 1y18 h PRO 52 Ca -0.47 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1y18 h PRO 52 Cb 1.30 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1y18 h PRO 52 CO 0.62 -0.17 0.00 -0.40 -0.21 0.00 0.00 178.00 177.84 1y18 n ASP 53 N -4.99 0.39 -0.05 -2.05 5.75 -1.26 -4.84 116.55 109.50 1y18 n ASP 53 Ca -0.02 -1.68 -0.01 0.00 -0.01 0.00 0.00 54.79 53.08 1y18 n ASP 53 Cb 0.28 -0.20 -0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1y18 n ASP 53 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1y18 n SER 54 N -0.23 -4.77 0.10 -1.12 7.64 -0.72 -4.79 113.62 109.73 1y18 n SER 54 Ca 0.00 0.01 0.13 0.00 1.01 0.00 0.00 58.87 60.03 1y18 n SER 54 Cb 0.10 -2.93 0.41 0.00 -1.01 0.00 0.00 64.21 60.78 1y18 n SER 54 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1y18 n ARG 55 N 0.69 0.25 -4.16 1.43 1.74 -1.26 -4.68 116.66 110.67 1y18 n ARG 55 Ca -0.01 0.20 -0.26 0.00 -0.77 0.00 0.00 57.85 57.01 1y18 n ARG 55 Cb 0.40 -1.78 -0.17 0.00 -1.02 0.00 0.00 32.46 29.89 1y18 n ARG 55 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1y18 s THR 56 N -3.10 1.14 -0.17 0.55 2.01 -1.26 -5.06 115.64 109.74 1y18 s THR 56 Ca 0.11 -0.40 -0.03 0.00 0.31 0.00 0.00 61.69 61.67 1y18 s THR 56 Cb 0.13 -1.10 0.06 0.00 0.01 0.00 0.00 72.50 71.59 1y18 s THR 56 CO 0.60 0.38 0.05 -0.63 -0.69 0.00 0.00 174.62 174.32 1y18 s ILE 57 N 1.31 0.35 -0.07 1.82 1.01 -1.26 -2.00 121.20 122.36 1y18 s ILE 57 Ca -0.02 -0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 1y18 s ILE 57 Cb -0.14 -0.86 -0.05 0.00 0.01 0.00 0.00 42.46 41.43 1y18 s ILE 57 CO -0.04 -0.18 0.24 0.20 0.00 0.00 0.00 174.94 175.16 1y18 s ASN 58 N 1.94 6.54 0.16 3.58 0.01 -0.62 -4.96 114.94 121.59 1y18 s ASN 58 Ca 0.00 0.64 0.06 0.00 -0.71 0.00 0.00 52.86 52.86 1y18 s ASN 58 Cb -0.16 -2.13 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 1y18 s ASN 58 CO -0.08 0.37 -0.13 -0.31 -1.51 0.00 0.00 177.10 175.44 1y18 s TYR 59 N -1.06 1.50 0.04 2.20 2.02 -1.26 -1.08 117.35 119.71 1y18 s TYR 59 Ca 0.18 -0.62 -0.31 0.00 -0.37 0.00 0.00 57.07 55.96 1y18 s TYR 59 Cb -0.14 -0.74 -0.06 0.00 -0.40 0.00 0.00 41.96 40.63 1y18 s TYR 59 CO 0.08 0.22 1.36 1.41 -1.57 0.00 0.00 175.55 177.05 1y18 s MET 60 N -3.41 4.32 0.02 -0.62 -2.45 -0.05 -4.88 119.30 112.24 1y18 s MET 60 Ca 0.17 1.96 -0.04 0.00 -1.25 0.00 0.00 55.69 56.54 1y18 s MET 60 Cb -0.01 -3.43 -0.01 0.00 1.25 0.00 0.00 34.83 32.63 1y18 s MET 60 CO 0.04 -0.48 0.20 -2.30 1.05 0.00 0.00 175.02 173.54 1y18 n PRO 61 N 4.69 -0.05 0.00 4.11 -0.02 -1.26 -2.29 135.00 140.17 1y18 n PRO 61 Ca 0.12 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1y18 n PRO 61 Cb 0.44 -0.30 0.00 0.00 -0.02 0.00 0.00 33.50 33.62 1y18 n PRO 61 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1y18 n SER 62 N -3.80 0.00 0.00 2.55 7.64 -1.26 -3.35 113.62 115.39 1y18 n SER 62 Ca 0.00 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1y18 n SER 62 Cb 0.03 -0.09 0.02 0.00 -1.01 0.00 0.00 64.21 63.16 1y18 n SER 62 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1y18 n LEU 63 N -0.90 0.00 -0.66 -3.43 4.77 -1.09 -4.06 117.00 111.63 1y18 n LEU 63 Ca 0.00 0.00 0.51 0.00 -0.03 0.00 0.00 56.01 56.49 1y18 n LEU 63 Cb 0.00 0.00 0.81 0.00 -2.33 0.00 0.00 43.42 41.90 1y18 n LEU 63 CO 0.00 0.00 1.46 0.50 -1.33 0.00 0.00 177.39 178.02 1y18 h LYS 64 N 0.00 0.00 0.00 3.23 3.64 -1.46 -0.78 116.57 121.21 1y18 h LYS 64 Ca 0.00 -0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 1y18 h LYS 64 Cb 0.00 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1y18 h LYS 64 CO 0.00 0.00 -2.10 -0.40 -2.27 0.00 0.00 179.45 174.68 1y18 n ASP 65 N -4.03 2.48 -0.14 4.20 5.68 -1.26 -4.51 116.55 118.98 1y18 n ASP 65 Ca 0.43 -0.10 0.13 0.00 -0.50 0.00 0.00 54.79 54.75 1y18 n ASP 65 Cb 1.92 -0.29 0.71 0.00 -1.14 0.00 0.00 41.12 42.31 1y18 n ASP 65 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1y18 n LYS 66 N -3.06 1.19 -4.80 0.11 2.85 -0.98 -4.73 118.16 108.75 1y18 n LYS 66 Ca -0.34 -0.28 -0.26 0.00 -1.05 0.00 0.00 58.31 56.38 1y18 n LYS 66 Cb 0.87 -1.43 -0.16 0.00 -0.65 0.00 0.00 35.03 33.66 1y18 n LYS 66 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1y18 s PHE 67 N -1.98 1.72 -0.08 5.58 0.40 -0.33 -1.64 117.98 121.65 1y18 s PHE 67 Ca 0.39 -0.57 -0.01 0.00 -0.60 0.00 0.00 56.93 56.15 1y18 s PHE 67 Cb 0.19 -1.19 0.03 0.00 0.51 0.00 0.00 43.02 42.56 1y18 s PHE 67 CO 0.31 -0.23 -0.03 0.42 0.70 0.00 0.00 175.22 176.39 1y18 s ILE 68 N 0.27 0.58 -0.01 0.64 1.01 -0.70 -4.79 121.20 118.19 1y18 s ILE 68 Ca -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.53 1y18 s ILE 68 Cb -0.14 -0.68 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 1y18 s ILE 68 CO 0.03 0.29 0.09 -0.63 0.00 0.00 0.00 174.94 174.73 1y18 s ILE 69 N 1.77 4.84 0.26 2.92 1.01 -1.26 -0.02 121.20 130.72 1y18 s ILE 69 Ca 0.03 -0.34 -0.19 0.00 0.00 0.00 0.00 60.65 60.15 1y18 s ILE 69 Cb -0.13 -3.21 0.01 0.00 0.01 0.00 0.00 42.46 39.15 1y18 s ILE 69 CO -0.05 0.37 0.64 -0.94 0.00 0.00 0.00 174.94 174.96 1y18 s SER 70 N -1.70 -0.22 0.13 3.58 1.04 -0.91 -5.00 113.70 110.62 1y18 s SER 70 Ca 0.23 -0.68 -0.15 0.00 0.48 0.00 0.00 55.95 55.82 1y18 s SER 70 Cb -0.12 0.68 0.03 0.00 0.10 0.00 0.00 66.02 66.71 1y18 s SER 70 CO 0.14 -1.27 0.40 0.00 0.98 0.00 0.00 173.24 173.48 1y18 s ARG 71 N -3.94 1.09 -0.40 4.02 1.70 -1.26 -0.52 118.95 119.63 1y18 s ARG 71 Ca 0.14 -0.76 0.01 0.00 -0.47 0.00 0.00 55.73 54.65 1y18 s ARG 71 Cb -0.04 0.46 0.13 0.00 -0.57 0.00 0.00 34.95 34.93 1y18 s ARG 71 CO 0.07 -0.43 0.21 0.34 -1.08 0.00 0.00 175.30 174.41 1y18 s ASP 72 N -2.82 3.61 0.58 -2.89 -1.08 -0.70 -4.99 116.67 108.38 1y18 s ASP 72 Ca 0.04 -2.39 0.27 0.00 -0.52 0.00 0.00 52.55 49.96 1y18 s ASP 72 Cb 0.02 -0.91 1.62 0.00 -1.46 0.00 0.00 42.92 42.19 1y18 s ASP 72 CO -0.10 -0.30 2.12 0.78 0.52 0.00 0.00 175.17 178.19 1y18 h ASN 73 N 7.01 0.00 0.10 -0.34 2.35 -1.92 0.02 115.58 122.79 1y18 h ASN 73 Ca -0.02 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.63 1y18 h ASN 73 Cb 0.95 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.31 1y18 h ASN 73 CO 0.44 0.00 -0.32 0.00 -1.65 0.00 0.00 177.43 175.90 1y18 h ALA 74 N 1.83 1.15 -0.40 -0.83 0.00 -1.95 -3.00 119.26 116.06 1y18 h ALA 74 Ca 0.08 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1y18 h ALA 74 Cb 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1y18 h ALA 74 CO -0.00 0.55 0.00 1.63 0.00 0.00 0.00 179.25 181.43 1y18 n LYS 75 N -4.09 3.33 -4.16 0.00 5.02 -0.10 -4.98 118.16 113.18 1y18 n LYS 75 Ca -0.01 -2.72 -0.31 0.00 -2.02 0.00 0.00 58.31 53.25 1y18 n LYS 75 Cb 0.43 -1.78 -0.06 0.00 -0.02 0.00 0.00 35.03 33.60 1y18 n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1y18 n ASN 76 N 0.19 -0.12 -4.23 4.39 4.13 -0.63 -4.80 115.26 114.19 1y18 n ASN 76 Ca 0.21 -1.18 -0.18 0.00 1.68 0.00 0.00 54.58 55.11 1y18 n ASN 76 Cb 0.83 -2.14 -0.11 0.00 -1.54 0.00 0.00 39.78 36.82 1y18 n ASN 76 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1y18 s SER 77 N -4.28 1.96 -0.04 6.41 0.01 -1.09 -1.02 113.70 115.66 1y18 s SER 77 Ca 0.06 -0.79 0.03 0.00 1.31 0.00 0.00 55.95 56.56 1y18 s SER 77 Cb -0.03 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1y18 s SER 77 CO 0.96 -0.14 -0.12 -0.22 0.41 0.00 0.00 173.24 174.12 1y18 s LEU 78 N -2.39 1.82 0.13 2.44 2.96 -0.55 -1.72 118.68 121.37 1y18 s LEU 78 Ca 0.08 -0.26 0.10 0.00 -0.22 0.00 0.00 54.13 53.83 1y18 s LEU 78 Cb -0.05 -0.73 -0.04 0.00 0.50 0.00 0.00 46.19 45.86 1y18 s LEU 78 CO 0.03 0.10 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.61 1y18 s TYR 79 N 0.18 2.06 -0.13 5.38 2.02 0.32 -0.63 117.35 126.55 1y18 s TYR 79 Ca -0.04 -0.40 -0.02 0.00 -0.37 0.00 0.00 57.07 56.23 1y18 s TYR 79 Cb -0.10 -1.09 0.04 0.00 -0.40 0.00 0.00 41.96 40.41 1y18 s TYR 79 CO 0.01 0.32 0.03 -1.17 -1.57 0.00 0.00 175.55 173.17 1y18 s LEU 80 N -2.18 0.79 -0.40 -1.29 2.96 -0.41 -2.15 118.68 116.00 1y18 s LEU 80 Ca 0.13 -0.43 -0.15 0.00 -0.22 0.00 0.00 54.13 53.45 1y18 s LEU 80 Cb -0.09 -0.47 0.01 0.00 0.50 0.00 0.00 46.19 46.14 1y18 s LEU 80 CO 0.06 -0.26 0.34 -1.58 -1.32 0.00 0.00 176.35 173.59 1y18 s GLN 81 N 1.95 3.11 0.08 1.98 2.00 0.97 -0.35 119.66 129.39 1y18 s GLN 81 Ca 0.02 -0.86 -0.07 0.00 -2.00 0.00 0.00 55.36 52.46 1y18 s GLN 81 Cb -0.15 -3.94 -0.05 0.00 0.80 0.00 0.00 33.01 29.67 1y18 s GLN 81 CO -0.07 -0.73 0.34 -0.51 -0.50 0.00 0.00 175.29 173.83 1y18 s LEU 82 N 1.84 4.33 0.15 3.68 1.43 0.24 -1.71 118.68 128.64 1y18 s LEU 82 Ca 0.08 0.63 -0.10 0.00 -1.03 0.00 0.00 54.13 53.70 1y18 s LEU 82 Cb -0.18 -2.99 -0.00 0.00 0.03 0.00 0.00 46.19 43.05 1y18 s LEU 82 CO 0.11 0.16 0.30 -0.94 0.23 0.00 0.00 176.35 176.21 1y18 s SER 82 N -1.99 0.01 -1.52 2.29 1.04 -0.65 -0.86 113.70 112.01 1y18 s SER 82 Ca 0.34 -0.76 -0.12 0.00 0.48 0.00 0.00 55.95 55.89 1y18 s SER 82 Cb -0.13 0.43 0.08 0.00 0.10 0.00 0.00 66.02 66.50 1y18 s SER 82 CO 0.20 -0.88 0.93 0.54 0.98 0.00 0.00 173.24 175.01 1y18 n ARG 82 N -0.20 -5.27 -1.68 4.02 1.74 -0.66 -4.82 116.66 109.80 1y18 n ARG 82 Ca -0.10 0.58 -0.47 0.00 -0.77 0.00 0.00 57.85 57.10 1y18 n ARG 82 Cb 0.63 -5.41 -0.04 0.00 -1.02 0.00 0.00 32.46 26.62 1y18 n ARG 82 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1y18 n LEU 82 N -4.62 3.35 -4.46 0.55 4.77 -0.63 -4.54 117.00 111.41 1y18 n LEU 82 Ca -0.00 1.02 -0.23 0.00 -0.03 0.00 0.00 56.01 56.77 1y18 n LEU 82 Cb 0.54 -1.42 -0.10 0.00 -2.33 0.00 0.00 43.42 40.12 1y18 n LEU 82 CO 0.75 -0.14 -0.44 -0.13 -1.33 0.00 0.00 177.39 176.10 1y18 s ARG 83 N 2.47 1.64 0.47 3.23 0.52 -1.26 0.92 118.95 126.94 1y18 s ARG 83 Ca 0.85 -1.78 0.24 0.00 -0.52 0.00 0.00 55.73 54.52 1y18 s ARG 83 Cb -0.66 -1.59 1.27 0.00 0.52 0.00 0.00 34.95 34.48 1y18 s ARG 83 CO 0.44 0.24 1.85 0.66 0.02 0.00 0.00 175.30 178.50 1y18 h SER 84 N 2.26 0.24 0.08 0.23 4.64 -1.95 0.33 113.55 119.38 1y18 h SER 84 Ca -0.40 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1y18 h SER 84 Cb 1.25 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1y18 h SER 84 CO 0.63 0.08 0.00 1.05 -0.87 0.00 0.00 176.83 177.72 1y18 h GLU 85 N 0.22 0.00 -0.01 4.77 4.11 -1.95 -0.14 114.58 121.58 1y18 h GLU 85 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.92 1y18 h GLU 85 Cb 1.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.77 1y18 h GLU 85 CO -0.12 0.00 -0.08 -0.25 0.07 0.00 0.00 179.01 178.62 1y18 n ASP 86 N -2.75 0.96 -4.67 3.06 8.00 0.12 -4.81 116.55 116.45 1y18 n ASP 86 Ca -0.02 -1.09 -0.42 0.00 0.71 0.00 0.00 54.79 53.97 1y18 n ASP 86 Cb 0.08 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 1y18 n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1y18 s SER 87 N -2.22 6.73 -0.08 -2.24 0.01 -0.07 -4.83 113.70 111.00 1y18 s SER 87 Ca 0.34 2.18 -0.31 0.00 1.31 0.00 0.00 55.95 59.46 1y18 s SER 87 Cb 0.21 -2.54 0.12 0.00 0.21 0.00 0.00 66.02 64.02 1y18 s SER 87 CO 0.41 -0.86 1.39 0.00 0.41 0.00 0.00 173.24 174.59 1y18 s ALA 88 N 3.51 -2.61 -0.24 1.44 0.00 -0.24 -4.41 121.76 119.22 1y18 s ALA 88 Ca 0.69 0.54 -0.18 0.00 0.00 0.00 0.00 51.96 53.01 1y18 s ALA 88 Cb -0.32 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 1y18 s ALA 88 CO 0.27 -1.12 0.53 -0.51 0.00 0.00 0.00 175.76 174.94 1y18 s LEU 89 N -3.46 4.08 -0.28 0.00 1.43 -0.51 -1.34 118.68 118.60 1y18 s LEU 89 Ca 0.23 0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 53.82 1y18 s LEU 89 Cb 0.04 -2.71 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 1y18 s LEU 89 CO -0.04 -0.26 0.20 -0.31 0.23 0.00 0.00 176.35 176.17 1y18 s TYR 90 N 2.11 3.22 -0.10 0.29 1.51 -0.62 -0.62 117.35 123.14 1y18 s TYR 90 Ca 0.23 0.11 -0.06 0.00 -1.01 0.00 0.00 57.07 56.34 1y18 s TYR 90 Cb -0.16 -2.40 -0.04 0.00 -0.11 0.00 0.00 41.96 39.26 1y18 s TYR 90 CO 0.09 -0.18 0.13 0.71 -1.11 0.00 0.00 175.55 175.19 1y18 s TYR 91 N 1.77 3.56 -0.27 2.71 2.02 0.41 -1.54 117.35 126.00 1y18 s TYR 91 Ca 0.07 0.48 -0.12 0.00 -0.37 0.00 0.00 57.07 57.13 1y18 s TYR 91 Cb -0.16 -1.91 -0.05 0.00 -0.40 0.00 0.00 41.96 39.44 1y18 s TYR 91 CO 0.11 0.71 0.23 0.00 -1.57 0.00 0.00 175.55 175.02 1y18 s VAL 93 N 1.73 1.17 -0.04 0.00 1.01 0.13 -1.12 120.40 123.28 1y18 s VAL 93 Ca 0.09 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.26 1y18 s VAL 93 Cb -0.16 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 1y18 s VAL 93 CO 0.10 0.34 0.55 -0.60 0.00 0.00 0.00 175.10 175.49 1y18 s ARG 94 N -0.15 4.29 -0.26 2.72 3.52 -0.32 0.31 118.95 129.06 1y18 s ARG 94 Ca 0.02 0.64 -0.05 0.00 -0.13 0.00 0.00 55.73 56.21 1y18 s ARG 94 Cb -0.08 -3.36 -0.00 0.00 -1.56 0.00 0.00 34.95 29.95 1y18 s ARG 94 CO 0.00 0.32 0.02 -1.17 -0.81 0.00 0.00 175.30 173.66 1y18 s LEU 95 N 0.01 3.37 -0.43 -0.88 2.96 -0.57 -2.29 118.68 120.85 1y18 s LEU 95 Ca 0.29 -0.55 -0.28 0.00 -0.22 0.00 0.00 54.13 53.38 1y18 s LEU 95 Cb -0.17 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.73 1y18 s LEU 95 CO 0.15 -0.10 1.06 -0.62 -1.32 0.00 0.00 176.35 175.52 1y18 s ASP 96 N 1.49 6.68 -0.29 3.68 2.15 0.88 -3.64 116.67 127.61 1y18 s ASP 96 Ca 0.04 0.54 -0.07 0.00 0.43 0.00 0.00 52.55 53.50 1y18 s ASP 96 Cb -0.16 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1y18 s ASP 96 CO -0.00 -1.08 0.07 0.12 -0.17 0.00 0.00 175.17 174.11 1y18 s PHE 97 N 4.03 3.13 -0.49 -5.34 2.19 -1.26 -1.70 117.98 118.54 1y18 s PHE 97 Ca 0.44 -0.91 0.03 0.00 0.33 0.00 0.00 56.93 56.82 1y18 s PHE 97 Cb -0.09 -2.25 0.15 0.00 -1.31 0.00 0.00 43.02 39.52 1y18 s PHE 97 CO 0.26 -0.55 0.31 0.34 1.83 0.00 0.00 175.22 177.41 1y18 s ASP 98 N 1.51 3.54 0.49 6.13 -1.08 -1.26 -4.96 116.67 121.04 1y18 s ASP 98 Ca 0.03 -2.98 0.26 0.00 -0.52 0.00 0.00 52.55 49.34 1y18 s ASP 98 Cb -0.17 -1.08 1.27 0.00 -1.46 0.00 0.00 42.92 41.48 1y18 s ASP 98 CO 0.02 -0.21 1.99 1.62 0.52 0.00 0.00 175.17 179.11 1y18 h VAL 99 N 4.97 0.58 -0.23 1.11 3.04 -1.96 0.18 116.25 123.94 1y18 h VAL 99 Ca 0.07 -0.74 -0.00 0.00 -1.01 0.00 0.00 66.70 65.01 1y18 h VAL 99 Cb 0.89 1.49 -0.01 0.00 -2.01 0.00 0.00 31.29 31.64 1y18 h VAL 99 CO 0.52 0.16 0.14 0.22 -1.01 0.00 0.00 177.57 177.60 1y18 h TYR 100 N 0.00 0.31 -0.57 3.17 3.20 -2.05 -2.99 116.97 118.04 1y18 h TYR 100 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1y18 h TYR 100 Cb 0.48 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1y18 h TYR 100 CO 0.00 0.23 0.00 0.09 -1.64 0.00 0.00 178.16 176.84 1y18 n ASN 100 N -4.90 3.69 -2.40 -2.11 3.02 -1.11 -5.24 115.26 106.21 1y18 n ASN 100 Ca -0.03 -1.99 -0.01 0.00 -0.03 0.00 0.00 54.58 52.52 1y18 n ASN 100 Cb 0.05 -0.38 -0.01 0.00 -0.61 0.00 0.00 39.78 38.83 1y18 n ASN 100 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1y18 n HIS 100 N 1.51 -2.54 0.00 3.10 8.25 0.03 -5.07 115.22 120.50 1y18 n HIS 100 Ca 0.22 1.50 0.00 0.00 -0.26 0.00 0.00 57.72 59.18 1y18 n HIS 100 Cb 0.60 -2.54 0.00 0.00 1.12 0.00 0.00 29.99 29.17 1y18 n HIS 100 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1y18 n TYR 100 N 1.99 0.00 -4.71 4.41 4.01 -1.26 -5.03 117.16 116.57 1y18 n TYR 100 Ca -0.08 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.43 1y18 n TYR 100 Cb 0.12 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 38.99 1y18 n TYR 100 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1y18 s VAL 100 N 0.00 1.22 -1.12 -0.72 1.01 -0.69 -4.98 120.40 115.12 1y18 s VAL 100 Ca 0.00 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 1y18 s VAL 100 Cb 0.00 -1.04 0.13 0.00 0.00 0.00 0.00 36.38 35.48 1y18 s VAL 100 CO 0.00 0.35 1.39 -0.76 0.00 0.00 0.00 175.10 176.08 1y18 s LEU 100 N -0.16 4.74 0.00 3.92 1.43 -1.26 -0.09 118.68 127.27 1y18 s LEU 100 Ca 0.02 -2.50 -0.03 0.00 -1.03 0.00 0.00 54.13 50.58 1y18 s LEU 100 Cb -0.08 -2.44 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 1y18 s LEU 100 CO 0.00 -0.97 0.81 -2.24 0.23 0.00 0.00 176.35 174.18 1y18 h ASP 101 N 7.94 -0.10 -2.81 2.29 3.04 -1.83 -3.45 116.42 121.50 1y18 h ASP 101 Ca 0.28 0.00 -0.67 0.00 -3.24 0.00 0.00 57.03 53.41 1y18 h ASP 101 Cb 0.93 0.03 -0.09 0.00 -1.04 0.00 0.00 39.33 39.16 1y18 h ASP 101 CO 1.25 -0.06 -0.51 -0.31 -2.04 0.00 0.00 179.24 177.58 1y18 s TYR 102 N -2.79 3.51 0.07 4.15 2.02 -1.25 -4.98 117.35 118.07 1y18 s TYR 102 Ca -0.02 0.45 0.08 0.00 -0.37 0.00 0.00 57.07 57.21 1y18 s TYR 102 Cb 0.00 -1.93 -0.03 0.00 -0.40 0.00 0.00 41.96 39.60 1y18 s TYR 102 CO 0.05 0.65 -0.21 -1.58 -1.57 0.00 0.00 175.55 172.90 1y18 s TRP 103 N -0.89 1.82 0.88 2.71 0.52 -1.26 -1.17 118.94 121.54 1y18 s TRP 103 Ca 0.14 -0.39 -0.12 0.00 0.02 0.00 0.00 56.10 55.75 1y18 s TRP 103 Cb -0.12 -1.05 0.16 0.00 -1.15 0.00 0.00 33.47 31.32 1y18 s TRP 103 CO 0.03 0.14 1.22 0.20 0.02 0.00 0.00 176.95 178.56 1y18 s GLY 104 N -1.48 1.75 0.00 0.98 0.00 -0.28 -4.81 107.32 103.48 1y18 s GLY 104 Ca 0.07 -1.23 0.21 0.00 0.00 0.00 0.00 44.72 43.78 1y18 s GLY 104 CO 0.03 -0.56 1.58 -1.06 0.00 0.00 0.00 173.10 173.09 1y18 n GLN 105 N -3.46 1.68 -0.17 2.90 6.02 -1.26 -4.72 117.38 118.36 1y18 n GLN 105 Ca 0.14 -1.02 0.02 0.00 -0.01 0.00 0.00 57.00 56.13 1y18 n GLN 105 Cb 0.60 -1.40 -0.01 0.00 1.02 0.00 0.00 30.24 30.45 1y18 n GLN 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1y18 n GLY 106 N 1.11 -2.38 3.02 1.08 0.00 -1.26 -4.98 105.19 101.78 1y18 n GLY 106 Ca 0.16 -1.43 -0.26 0.00 0.00 0.00 0.00 46.02 44.49 1y18 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1y18 s THR 107 N -2.67 1.24 0.25 2.61 -1.32 -0.59 -4.80 115.64 110.36 1y18 s THR 107 Ca 0.00 -0.50 -0.30 0.00 -1.21 0.00 0.00 61.69 59.68 1y18 s THR 107 Cb 0.00 -1.15 -0.09 0.00 -1.51 0.00 0.00 72.50 69.75 1y18 s THR 107 CO 0.00 0.39 1.10 -0.55 -2.21 0.00 0.00 174.62 173.35 1y18 s SER 108 N 0.94 7.26 -0.07 8.08 0.15 -1.26 -1.59 113.70 127.21 1y18 s SER 108 Ca -0.09 2.23 -0.01 0.00 0.70 0.00 0.00 55.95 58.78 1y18 s SER 108 Cb -0.15 -2.62 0.03 0.00 -1.71 0.00 0.00 66.02 61.57 1y18 s SER 108 CO 0.00 -0.17 -0.02 -0.69 1.20 0.00 0.00 173.24 173.56 1y18 s VAL 109 N -0.89 0.50 -0.22 4.45 1.01 -0.45 0.34 120.40 125.15 1y18 s VAL 109 Ca 0.46 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 1y18 s VAL 109 Cb -0.31 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.47 1y18 s VAL 109 CO 0.39 0.27 -0.11 -0.89 0.00 0.00 0.00 175.10 174.76 1y18 s THR 110 N 1.71 2.64 -0.74 3.92 2.01 -0.66 -1.08 115.64 123.45 1y18 s THR 110 Ca 0.02 -0.94 -0.17 0.00 0.31 0.00 0.00 61.69 60.91 1y18 s THR 110 Cb -0.13 -2.26 0.16 0.00 0.01 0.00 0.00 72.50 70.28 1y18 s THR 110 CO -0.05 0.34 0.78 -0.69 -0.69 0.00 0.00 174.62 174.31 1y18 s VAL 111 N 1.33 5.17 0.18 3.82 1.01 -1.26 -0.07 120.40 130.57 1y18 s VAL 111 Ca 0.02 -1.75 0.02 0.00 0.00 0.00 0.00 61.98 60.28 1y18 s VAL 111 Cb -0.15 -4.52 -0.05 0.00 0.00 0.00 0.00 36.38 31.67 1y18 s VAL 111 CO -0.07 -1.13 -0.01 -0.55 0.00 0.00 0.00 175.10 173.34 1y18 s SER 112 N 3.06 1.38 0.00 3.32 0.15 -0.15 -4.18 113.70 117.29 1y18 s SER 112 Ca 0.17 -1.16 0.21 0.00 0.70 0.00 0.00 55.95 55.87 1y18 s SER 112 Cb -0.16 0.09 -0.19 0.00 -1.71 0.00 0.00 66.02 64.05 1y18 s SER 112 CO -0.03 -0.53 0.93 -0.24 1.20 0.00 0.00 173.24 174.57 1y18 n SER 113 N -0.27 1.12 -4.71 5.45 2.88 -1.26 -4.04 113.62 112.78 1y18 n SER 113 Ca -0.07 -1.05 -0.30 0.00 -1.33 0.00 0.00 58.87 56.13 1y18 n SER 113 Cb 0.63 0.92 0.14 0.00 -0.75 0.00 0.00 64.21 65.15 1y18 n SER 113 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y18 s ALA 114 N -2.93 1.56 0.38 -1.46 0.00 -1.26 -5.04 121.76 113.00 1y18 s ALA 114 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 51.96 52.03 1y18 s ALA 114 Cb 0.16 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 1y18 s ALA 114 CO 0.83 -2.35 0.63 -1.54 0.00 0.00 0.00 175.76 173.34 1y18 s SER 115 N -3.35 6.33 0.13 0.00 1.04 -1.26 -5.04 113.70 111.55 1y18 s SER 115 Ca 0.63 0.69 -0.30 0.00 0.48 0.00 0.00 55.95 57.46 1y18 s SER 115 Cb -0.18 -2.14 -0.06 0.00 0.10 0.00 0.00 66.02 63.73 1y18 s SER 115 CO 0.57 -0.37 0.97 0.28 0.98 0.00 0.00 173.24 175.68 1y18 s THR 116 N -2.40 4.38 0.00 2.02 -1.32 -1.26 -4.81 115.64 112.26 1y18 s THR 116 Ca 0.44 2.03 0.04 0.00 -1.21 0.00 0.00 61.69 62.99 1y18 s THR 116 Cb -0.10 -4.30 -0.01 0.00 -1.51 0.00 0.00 72.50 66.58 1y18 s THR 116 CO 0.37 0.34 -0.12 -0.75 -2.21 0.00 0.00 174.62 172.25 1y18 s LYS 117 N -0.20 0.91 0.44 7.08 2.20 0.57 -4.96 119.74 125.79 1y18 s LYS 117 Ca 0.46 -0.48 -0.10 0.00 -0.36 0.00 0.00 55.97 55.49 1y18 s LYS 117 Cb -0.24 -0.88 -0.06 0.00 -1.51 0.00 0.00 37.83 35.13 1y18 s LYS 117 CO 0.31 0.24 0.81 0.20 -0.36 0.00 0.00 175.35 176.55 1y18 s GLY 118 N -0.47 1.88 0.42 5.54 0.00 -1.26 -1.55 107.32 111.88 1y18 s GLY 118 Ca 0.03 -0.19 -0.20 0.00 0.00 0.00 0.00 44.72 44.36 1y18 s GLY 118 CO -0.00 0.01 0.92 2.56 0.00 0.00 0.00 173.10 176.59 1y18 s PRO 119 N -4.08 4.19 -0.22 2.90 0.04 -1.26 -4.43 135.00 132.13 1y18 s PRO 119 Ca 0.52 1.05 -0.10 0.00 0.04 0.00 0.00 61.00 62.50 1y18 s PRO 119 Cb -0.10 -2.21 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 1y18 s PRO 119 CO 0.35 -0.01 0.14 -1.12 0.04 0.00 0.00 177.00 176.40 1y18 s SER 120 N -2.23 6.12 -0.31 6.66 0.01 -0.31 -4.93 113.70 118.71 1y18 s SER 120 Ca 0.61 0.16 -0.08 0.00 1.31 0.00 0.00 55.95 57.94 1y18 s SER 120 Cb -0.09 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.05 1y18 s SER 120 CO 0.14 0.12 0.13 -0.69 0.41 0.00 0.00 173.24 173.35 1y18 s VAL 121 N 0.74 4.30 0.01 3.43 1.01 -1.26 -1.16 120.40 127.48 1y18 s VAL 121 Ca 0.07 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1y18 s VAL 121 Cb -0.12 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1y18 s VAL 121 CO 0.02 0.04 -0.05 -0.36 0.00 0.00 0.00 175.10 174.75 1y18 s PHE 122 N 1.55 2.94 0.02 5.22 0.08 0.37 -4.94 117.98 123.23 1y18 s PHE 122 Ca 0.03 -0.01 -0.23 0.00 0.12 0.00 0.00 56.93 56.84 1y18 s PHE 122 Cb -0.17 -1.61 -0.05 0.00 -0.57 0.00 0.00 43.02 40.61 1y18 s PHE 122 CO 0.05 0.41 0.68 -1.25 -0.10 0.00 0.00 175.22 175.00 1y18 s PRO 123 N -1.56 4.41 -1.03 0.24 0.04 -1.26 0.38 135.00 136.21 1y18 s PRO 123 Ca 0.19 0.90 -0.08 0.00 0.04 0.00 0.00 61.00 62.04 1y18 s PRO 123 Cb -0.11 -3.35 0.26 0.00 0.04 0.00 0.00 34.50 31.34 1y18 s PRO 123 CO 0.09 0.33 1.00 -0.51 0.04 0.00 0.00 177.00 177.96 1y18 s LEU 124 N -0.14 6.26 0.37 -3.56 1.43 0.72 -4.88 118.68 118.87 1y18 s LEU 124 Ca 0.35 -3.49 -0.26 0.00 -1.03 0.00 0.00 54.13 49.70 1y18 s LEU 124 Cb -0.19 -2.16 -0.12 0.00 0.03 0.00 0.00 46.19 43.75 1y18 s LEU 124 CO 0.20 -0.31 1.00 0.00 0.23 0.00 0.00 176.35 177.48 1y18 n ALA 125 N 2.82 0.04 -1.82 4.21 0.00 -1.26 -1.81 120.51 122.68 1y18 n ALA 125 Ca 0.22 0.29 -0.43 0.00 0.00 0.00 0.00 53.44 53.52 1y18 n ALA 125 Cb 0.40 -2.06 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 1y18 n ALA 125 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1y18 s PRO 126 N -1.83 3.55 -0.11 0.00 0.02 -1.26 -4.84 135.00 130.54 1y18 s PRO 126 Ca 0.61 1.95 -0.00 0.00 0.02 0.00 0.00 61.00 63.58 1y18 s PRO 126 Cb -0.61 -4.21 0.08 0.00 0.02 0.00 0.00 34.50 29.78 1y18 s PRO 126 CO 0.58 -1.61 1.96 0.43 -0.33 0.00 0.00 177.00 178.04 1y18 n SER 127 N 9.74 5.62 -4.03 2.53 7.64 -1.26 -4.53 113.62 129.34 1y18 n SER 127 Ca 0.24 -2.63 -0.10 0.00 1.01 0.00 0.00 58.87 57.39 1y18 n SER 127 Cb 0.45 -1.08 -0.07 0.00 -1.01 0.00 0.00 64.21 62.50 1y18 n SER 127 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1y18 s SER 128 N 1.31 -0.02 0.17 6.43 0.15 -1.26 -5.06 113.70 115.42 1y18 s SER 128 Ca 0.11 -1.00 0.01 0.00 0.70 0.00 0.00 55.95 55.77 1y18 s SER 128 Cb 0.09 0.51 -0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1y18 s SER 128 CO -0.00 -1.02 0.04 2.29 1.20 0.00 0.00 173.24 175.75 1y18 n LYS 129 N -0.32 1.00 -0.02 5.44 2.85 -1.26 -4.98 118.16 120.86 1y18 n LYS 129 Ca -0.02 -1.40 -0.16 0.00 -1.05 0.00 0.00 58.31 55.68 1y18 n LYS 129 Cb 0.63 0.65 -0.11 0.00 -0.65 0.00 0.00 35.03 35.55 1y18 n LYS 129 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1y18 h SER 130 N 0.60 0.35 -0.78 -5.58 0.02 -1.88 -3.34 113.55 102.95 1y18 h SER 130 Ca -0.14 -0.75 0.15 0.00 -0.84 0.00 0.00 61.79 60.21 1y18 h SER 130 Cb 0.49 -0.11 -0.10 0.00 0.14 0.00 0.00 62.40 62.82 1y18 h SER 130 CO 0.22 1.06 0.31 0.74 -1.14 0.00 0.00 176.83 178.02 1y18 h THR 133 N -0.32 0.63 -1.24 -2.27 2.02 -1.98 -1.48 112.91 108.27 1y18 h THR 133 Ca -0.04 -0.15 0.36 0.00 0.77 0.00 0.00 66.41 67.34 1y18 h THR 133 Cb 1.10 0.15 -0.07 0.00 -1.74 0.00 0.00 68.15 67.59 1y18 h THR 133 CO 0.07 0.08 0.86 0.77 0.37 0.00 0.00 175.52 177.67 1y18 h SER 134 N 0.44 0.15 -4.07 4.18 4.64 -2.00 -3.47 113.55 113.43 1y18 h SER 134 Ca 0.43 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1y18 h SER 134 Cb 0.68 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1y18 h SER 134 CO -0.42 -0.00 -0.63 0.61 -0.87 0.00 0.00 176.83 175.52 1y18 n GLY 135 N -1.67 -4.62 0.00 -0.77 0.00 -0.56 -5.03 105.19 92.54 1y18 n GLY 135 Ca 0.29 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1y18 n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y18 n GLY 136 N 0.68 0.18 3.35 -0.02 0.00 -1.26 -5.00 105.19 103.12 1y18 n GLY 136 Ca 0.00 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 1y18 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y18 s THR 137 N -1.18 2.13 0.07 2.61 2.01 -1.26 -1.03 115.64 118.99 1y18 s THR 137 Ca 0.00 -1.50 0.10 0.00 0.31 0.00 0.00 61.69 60.60 1y18 s THR 137 Cb 0.00 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 1y18 s THR 137 CO 0.00 0.25 -0.26 0.00 -0.69 0.00 0.00 174.62 173.92 1y18 s ALA 138 N -0.90 2.31 -0.17 7.40 0.00 0.38 -4.77 121.76 126.01 1y18 s ALA 138 Ca 0.12 -1.33 -0.08 0.00 0.00 0.00 0.00 51.96 50.66 1y18 s ALA 138 Cb -0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1y18 s ALA 138 CO 0.03 0.54 0.12 0.00 0.00 0.00 0.00 175.76 176.45 1y18 s ALA 139 N -0.89 3.69 0.20 0.00 0.00 -1.26 -1.68 121.76 121.82 1y18 s ALA 139 Ca 0.13 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.32 1y18 s ALA 139 Cb -0.10 -2.04 -0.01 0.00 0.00 0.00 0.00 23.12 20.96 1y18 s ALA 139 CO 0.03 0.33 0.32 -0.48 0.00 0.00 0.00 175.76 175.96 1y18 s LEU 140 N -0.14 0.77 0.00 0.00 0.05 -0.91 -4.13 118.68 114.33 1y18 s LEU 140 Ca 0.10 -1.02 0.00 0.00 0.05 0.00 0.00 54.13 53.26 1y18 s LEU 140 Cb -0.12 1.21 0.00 0.00 -2.05 0.00 0.00 46.19 45.23 1y18 s LEU 140 CO 0.00 -0.97 0.00 0.61 -0.55 0.00 0.00 176.35 175.44 1y18 n GLY 141 N -0.29 -0.98 3.12 -3.48 0.00 -0.75 -0.15 105.19 102.66 1y18 n GLY 141 Ca -0.03 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.02 1y18 n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y18 s LEU 143 N -0.41 4.40 -0.58 0.00 2.96 0.16 -1.03 118.68 124.19 1y18 s LEU 143 Ca 0.05 -1.04 -0.16 0.00 -0.22 0.00 0.00 54.13 52.77 1y18 s LEU 143 Cb -0.06 -1.92 0.14 0.00 0.50 0.00 0.00 46.19 44.84 1y18 s LEU 143 CO -0.00 -0.33 0.55 -0.69 -1.32 0.00 0.00 176.35 174.55 1y18 s VAL 144 N 1.47 5.21 0.24 1.68 1.01 1.00 -0.48 120.40 130.53 1y18 s VAL 144 Ca 0.00 -1.55 0.12 0.00 0.00 0.00 0.00 61.98 60.54 1y18 s VAL 144 Cb -0.19 -4.37 -0.05 0.00 0.00 0.00 0.00 36.38 31.77 1y18 s VAL 144 CO 0.04 -0.91 -0.22 -1.59 0.00 0.00 0.00 175.10 172.42 1y18 s LYS 145 N 1.56 1.60 -0.89 2.72 -2.85 -0.31 -0.23 119.74 121.34 1y18 s LYS 145 Ca 0.05 -1.66 -0.04 0.00 -1.00 0.00 0.00 55.97 53.33 1y18 s LYS 145 Cb -0.27 -1.78 -0.03 0.00 -2.06 0.00 0.00 37.83 33.69 1y18 s LYS 145 CO 0.02 0.35 0.78 -0.25 0.10 0.00 0.00 175.35 176.36 1y18 n ASP 146 N -0.23 -7.06 -4.27 0.03 8.00 -0.41 -1.16 116.55 111.45 1y18 n ASP 146 Ca -0.08 -0.42 -0.15 0.00 0.71 0.00 0.00 54.79 54.85 1y18 n ASP 146 Cb 0.58 -4.96 -0.10 0.00 -0.02 0.00 0.00 41.12 36.62 1y18 n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1y18 s TYR 147 N -3.18 1.35 -0.28 1.24 -0.85 -0.52 -4.32 117.35 110.79 1y18 s TYR 147 Ca 0.21 -0.92 -0.22 0.00 -0.52 0.00 0.00 57.07 55.61 1y18 s TYR 147 Cb -0.03 -0.76 0.11 0.00 0.38 0.00 0.00 41.96 41.66 1y18 s TYR 147 CO 0.76 -0.08 0.91 0.12 -1.52 0.00 0.00 175.55 175.74 1y18 s PHE 148 N -3.49 -0.64 0.07 -3.49 5.36 -0.60 -0.42 117.98 114.78 1y18 s PHE 148 Ca 0.24 1.45 0.01 0.00 -0.96 0.00 0.00 56.93 57.67 1y18 s PHE 148 Cb 0.05 0.37 0.01 0.00 -0.34 0.00 0.00 43.02 43.12 1y18 s PHE 148 CO 0.05 -0.31 0.10 -0.35 -1.46 0.00 0.00 175.22 173.24 1y18 n PRO 149 N 2.85 0.80 -1.22 10.12 -0.04 -1.26 -0.32 135.00 145.94 1y18 n PRO 149 Ca -0.15 -0.33 -0.31 0.00 -0.04 0.00 0.00 63.50 62.66 1y18 n PRO 149 Cb 0.56 -0.04 0.10 0.00 -0.04 0.00 0.00 33.50 34.08 1y18 n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1y18 s GLU 150 N -2.44 2.09 0.41 0.54 0.41 -1.26 -4.75 118.70 113.70 1y18 s GLU 150 Ca 0.07 1.29 0.07 0.00 -0.41 0.00 0.00 54.97 56.00 1y18 s GLU 150 Cb -0.00 -1.87 -0.07 0.00 -1.78 0.00 0.00 34.13 30.40 1y18 s GLU 150 CO 0.05 -1.79 0.04 -1.25 -0.49 0.00 0.00 175.26 171.82 1y18 s PRO 151 N -4.71 2.02 0.11 0.39 0.04 -1.26 -4.91 135.00 126.67 1y18 s PRO 151 Ca 0.63 -2.04 0.10 0.00 0.04 0.00 0.00 61.00 59.74 1y18 s PRO 151 Cb -0.19 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1y18 s PRO 151 CO 0.54 -0.05 -0.26 0.14 0.04 0.00 0.00 177.00 177.41 1y18 s VAL 152 N -2.68 2.33 -0.03 -0.36 -7.23 -1.26 -4.50 120.40 106.67 1y18 s VAL 152 Ca 0.36 -1.66 0.07 0.00 -1.81 0.00 0.00 61.98 58.95 1y18 s VAL 152 Cb 0.08 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.99 1y18 s VAL 152 CO 0.19 0.14 -0.25 0.42 -0.31 0.00 0.00 175.10 175.29 1y18 s THR 153 N -1.03 2.03 -0.05 5.32 -4.23 -0.07 -4.95 115.64 112.65 1y18 s THR 153 Ca 0.14 -1.08 0.03 0.00 -1.18 0.00 0.00 61.69 59.59 1y18 s THR 153 Cb -0.10 -1.70 0.01 0.00 1.34 0.00 0.00 72.50 72.05 1y18 s THR 153 CO 0.06 0.57 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.89 1y18 s VAL 154 N -0.44 1.13 0.19 2.29 1.01 -1.26 -0.80 120.40 122.52 1y18 s VAL 154 Ca 0.05 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1y18 s VAL 154 Cb -0.11 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 1y18 s VAL 154 CO 0.01 0.35 -0.00 -0.94 0.00 0.00 0.00 175.10 174.51 1y18 s SER 156 N 0.43 1.37 -0.11 3.32 1.04 -0.50 -4.94 113.70 114.31 1y18 s SER 156 Ca -0.10 -1.18 0.03 0.00 0.48 0.00 0.00 55.95 55.18 1y18 s SER 156 Cb -0.13 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.07 1y18 s SER 156 CO 0.03 -0.55 -0.22 0.26 0.98 0.00 0.00 173.24 173.74 1y18 s TRP 157 N -3.59 2.61 -1.30 5.02 0.52 -1.26 0.13 118.94 121.07 1y18 s TRP 157 Ca 0.25 -0.99 -0.04 0.00 0.02 0.00 0.00 56.10 55.34 1y18 s TRP 157 Cb 0.06 -1.74 -0.00 0.00 -1.15 0.00 0.00 33.47 30.64 1y18 s TRP 157 CO 0.05 -0.39 0.63 0.09 0.02 0.00 0.00 176.95 177.35 1y18 n ASN 162 N 3.54 -1.87 -2.32 2.95 3.02 0.14 -1.36 115.26 119.36 1y18 n ASN 162 Ca -0.19 -0.92 -0.10 0.00 -0.03 0.00 0.00 54.58 53.34 1y18 n ASN 162 Cb 0.53 -3.61 -0.01 0.00 -0.61 0.00 0.00 39.78 36.08 1y18 n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1y18 n SER 163 N -2.96 -3.30 0.00 6.41 7.64 -1.26 -0.70 113.62 119.45 1y18 n SER 163 Ca -0.26 0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1y18 n SER 163 Cb 0.66 -2.87 0.00 0.00 -1.01 0.00 0.00 64.21 60.99 1y18 n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y18 n GLY 164 N -0.69 2.64 0.33 0.23 0.00 -0.47 -4.94 105.19 102.30 1y18 n GLY 164 Ca -0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.93 1y18 n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y18 h ALA 165 N 0.00 1.63 -2.92 4.61 0.00 -0.83 -3.39 119.26 118.37 1y18 h ALA 165 Ca 0.00 -0.04 -0.66 0.00 0.00 0.00 0.00 54.91 54.22 1y18 h ALA 165 Cb 0.00 -0.22 -0.22 0.00 0.00 0.00 0.00 17.79 17.36 1y18 h ALA 165 CO 0.00 0.34 -0.58 -1.17 0.00 0.00 0.00 179.25 177.83 1y18 s LEU 166 N -9.63 3.79 0.00 0.00 2.96 -0.95 -4.87 118.68 109.97 1y18 s LEU 166 Ca -0.09 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 1y18 s LEU 166 Cb 0.18 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.89 1y18 s LEU 166 CO 0.75 -0.10 0.00 0.35 -1.32 0.00 0.00 176.35 176.03 1y18 n THR 167 N 4.96 0.00 -2.72 3.68 -2.24 -1.26 -4.02 114.28 112.67 1y18 n THR 167 Ca -0.15 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 1y18 n THR 167 Cb 0.50 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 1y18 n THR 167 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1y18 s SER 168 N -0.62 7.16 0.00 3.42 0.01 -1.26 -3.06 113.70 119.36 1y18 s SER 168 Ca 0.00 1.44 0.00 0.00 1.31 0.00 0.00 55.95 58.70 1y18 s SER 168 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1y18 s SER 168 CO 0.00 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.78 1y18 n GLY 169 N 3.20 0.68 3.74 3.44 0.00 -1.26 -4.73 105.19 110.27 1y18 n GLY 169 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1y18 n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y18 s VAL 171 N -2.61 4.72 -0.23 1.61 1.01 -1.17 -3.04 120.40 120.68 1y18 s VAL 171 Ca 0.00 1.68 -0.02 0.00 0.00 0.00 0.00 61.98 63.64 1y18 s VAL 171 Cb 0.00 -4.14 0.07 0.00 0.00 0.00 0.00 36.38 32.31 1y18 s VAL 171 CO 0.00 0.35 0.04 -1.00 0.00 0.00 0.00 175.10 174.49 1y18 s HIS 172 N -0.00 1.38 -0.40 5.22 3.76 0.52 -4.99 115.29 120.78 1y18 s HIS 172 Ca 0.40 -1.21 -0.10 0.00 -0.15 0.00 0.00 55.06 54.00 1y18 s HIS 172 Cb -0.21 -1.27 0.06 0.00 1.11 0.00 0.00 32.58 32.27 1y18 s HIS 172 CO 0.24 -0.71 0.24 0.99 -0.85 0.00 0.00 174.74 174.65 1y18 s THR 173 N 1.74 4.39 0.68 1.30 2.01 -1.26 -1.05 115.64 123.44 1y18 s THR 173 Ca 0.01 -1.17 -0.14 0.00 0.31 0.00 0.00 61.69 60.71 1y18 s THR 173 Cb -0.17 -3.58 0.01 0.00 0.01 0.00 0.00 72.50 68.76 1y18 s THR 173 CO -0.13 -0.39 1.11 -0.36 -0.69 0.00 0.00 174.62 174.16 1y18 s PHE 174 N 1.48 2.62 0.39 4.92 0.08 -0.68 -4.98 117.98 121.81 1y18 s PHE 174 Ca 0.02 1.55 -0.26 0.00 0.12 0.00 0.00 56.93 58.36 1y18 s PHE 174 Cb -0.21 -3.14 -0.09 0.00 -0.57 0.00 0.00 43.02 39.00 1y18 s PHE 174 CO 0.04 -1.70 1.26 -1.25 -0.10 0.00 0.00 175.22 173.47 1y18 s PRO 175 N -4.25 4.04 0.59 0.24 0.04 -1.26 -4.58 135.00 129.82 1y18 s PRO 175 Ca 0.66 2.07 -0.20 0.00 0.04 0.00 0.00 61.00 63.57 1y18 s PRO 175 Cb -0.20 -2.78 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 1y18 s PRO 175 CO 0.44 -0.40 1.31 0.00 0.04 0.00 0.00 177.00 178.39 1y18 s ALA 176 N -1.28 2.63 0.04 8.56 0.00 -1.26 -4.85 121.76 125.60 1y18 s ALA 176 Ca 0.56 1.23 0.07 0.00 0.00 0.00 0.00 51.96 53.82 1y18 s ALA 176 Cb -0.36 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.19 1y18 s ALA 176 CO 0.46 -1.40 -0.18 0.14 0.00 0.00 0.00 175.76 174.79 1y18 s VAL 177 N -1.38 2.79 -0.43 0.00 -7.23 0.51 -4.92 120.40 109.74 1y18 s VAL 177 Ca 0.76 -1.19 -0.22 0.00 -1.81 0.00 0.00 61.98 59.52 1y18 s VAL 177 Cb -0.38 -2.18 0.02 0.00 0.56 0.00 0.00 36.38 34.41 1y18 s VAL 177 CO 0.42 0.34 0.73 -0.22 -0.31 0.00 0.00 175.10 176.06 1y18 s LEU 178 N -1.44 4.32 0.67 1.32 2.96 -1.26 -1.94 118.68 123.30 1y18 s LEU 178 Ca 0.15 -0.11 -0.11 0.00 -0.22 0.00 0.00 54.13 53.84 1y18 s LEU 178 Cb -0.10 -2.88 -0.01 0.00 0.50 0.00 0.00 46.19 43.69 1y18 s LEU 178 CO 0.05 -0.83 1.05 -1.10 -1.32 0.00 0.00 176.35 174.20 1y18 s GLN 179 N 3.07 3.20 0.37 1.98 -0.21 -0.01 -4.92 119.66 123.15 1y18 s GLN 179 Ca 0.27 0.86 0.10 0.00 0.02 0.00 0.00 55.36 56.62 1y18 s GLN 179 Cb -0.13 -2.03 0.86 0.00 1.00 0.00 0.00 33.01 32.72 1y18 s GLN 179 CO 0.20 -0.89 1.88 0.66 -2.12 0.00 0.00 175.29 175.02 1y18 h SER 180 N -0.56 0.60 0.05 5.90 4.64 -1.96 0.21 113.55 122.44 1y18 h SER 180 Ca -0.44 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1y18 h SER 180 Cb 1.20 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1y18 h SER 180 CO 0.59 0.30 0.00 -1.54 -0.87 0.00 0.00 176.83 175.31 1y18 n SER 182 N -4.55 0.00 0.00 4.97 3.41 -1.26 -4.76 113.62 111.43 1y18 n SER 182 Ca 0.17 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 1y18 n SER 182 Cb 0.48 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1y18 n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y18 n GLY 183 N -1.05 0.80 3.85 5.00 0.00 0.74 -5.03 105.19 109.51 1y18 n GLY 183 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1y18 n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y18 s LEU 184 N 0.00 4.05 0.36 0.99 1.43 -1.25 -4.86 118.68 119.39 1y18 s LEU 184 Ca 0.00 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.14 1y18 s LEU 184 Cb 0.00 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.50 1y18 s LEU 184 CO 0.00 0.13 0.61 -0.31 0.23 0.00 0.00 176.35 177.01 1y18 s TYR 185 N -1.57 3.50 -0.14 0.29 2.02 0.44 -0.83 117.35 121.06 1y18 s TYR 185 Ca 0.32 0.59 -0.28 0.00 -0.37 0.00 0.00 57.07 57.34 1y18 s TYR 185 Cb -0.12 -2.09 0.07 0.00 -0.40 0.00 0.00 41.96 39.42 1y18 s TYR 185 CO 0.25 0.04 0.68 0.45 -1.57 0.00 0.00 175.55 175.41 1y18 s SER 186 N -3.67 -0.68 0.19 2.29 0.15 -0.82 -1.28 113.70 109.87 1y18 s SER 186 Ca 0.44 1.02 -0.20 0.00 0.70 0.00 0.00 55.95 57.90 1y18 s SER 186 Cb -0.10 0.94 0.04 0.00 -1.71 0.00 0.00 66.02 65.19 1y18 s SER 186 CO 0.35 -0.44 0.57 -1.48 1.20 0.00 0.00 173.24 173.44 1y18 s LEU 187 N -0.50 -0.20 0.19 3.45 0.05 0.69 -0.36 118.68 122.01 1y18 s LEU 187 Ca -0.06 -0.30 0.10 0.00 0.05 0.00 0.00 54.13 53.92 1y18 s LEU 187 Cb -0.02 2.38 -0.04 0.00 -2.05 0.00 0.00 46.19 46.46 1y18 s LEU 187 CO 0.06 -1.05 -0.19 -0.44 -0.55 0.00 0.00 176.35 174.18 1y18 s SER 188 N -2.83 2.97 -0.06 1.48 0.01 -1.26 -0.00 113.70 114.01 1y18 s SER 188 Ca 0.06 -0.91 -0.02 0.00 1.31 0.00 0.00 55.95 56.39 1y18 s SER 188 Cb -0.01 -0.20 0.03 0.00 0.21 0.00 0.00 66.02 66.05 1y18 s SER 188 CO -0.06 -0.01 0.06 -0.55 0.41 0.00 0.00 173.24 173.09 1y18 s SER 189 N -2.88 1.31 0.37 2.44 0.15 -0.20 -1.69 113.70 113.20 1y18 s SER 189 Ca 0.20 -0.00 0.08 0.00 0.70 0.00 0.00 55.95 56.93 1y18 s SER 189 Cb -0.05 -0.19 -0.06 0.00 -1.71 0.00 0.00 66.02 64.01 1y18 s SER 189 CO 0.09 -0.25 0.05 0.68 1.20 0.00 0.00 173.24 175.01 1y18 s VAL 190 N 2.14 2.44 -0.27 4.45 -7.23 -0.22 0.12 120.40 121.83 1y18 s VAL 190 Ca 0.05 -1.91 -0.25 0.00 -1.81 0.00 0.00 61.98 58.05 1y18 s VAL 190 Cb -0.12 -2.88 0.09 0.00 0.56 0.00 0.00 36.38 34.03 1y18 s VAL 190 CO -0.04 -0.12 0.84 0.54 -0.31 0.00 0.00 175.10 176.02 1y18 s VAL 191 N -2.57 0.00 -0.14 1.32 0.11 0.78 -0.35 120.40 119.55 1y18 s VAL 191 Ca 0.36 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.34 1y18 s VAL 191 Cb 0.03 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 1y18 s VAL 191 CO 0.20 0.00 0.13 0.42 -3.33 0.00 0.00 175.10 172.52 1y18 s THR 192 N 0.28 5.46 0.19 5.04 -4.23 -1.17 -2.14 115.64 119.07 1y18 s THR 192 Ca 0.01 0.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.73 1y18 s THR 192 Cb -0.05 -3.41 -0.05 0.00 1.34 0.00 0.00 72.50 70.34 1y18 s THR 192 CO -0.02 0.57 0.04 0.68 -0.54 0.00 0.00 174.62 175.35 1y18 s VAL 193 N -0.64 0.53 -0.08 2.29 -7.23 -0.68 -4.79 120.40 109.81 1y18 s VAL 193 Ca 0.13 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.03 1y18 s VAL 193 Cb -0.12 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 1y18 s VAL 193 CO 0.02 -0.35 1.24 -2.16 -0.31 0.00 0.00 175.10 173.54 1y18 s PRO 194 N -3.97 4.31 0.23 4.82 0.04 -1.26 -0.47 135.00 138.70 1y18 s PRO 194 Ca 0.27 1.71 -0.10 0.00 0.04 0.00 0.00 61.00 62.92 1y18 s PRO 194 Cb 0.07 -3.61 0.34 0.00 0.04 0.00 0.00 34.50 31.33 1y18 s PRO 194 CO 0.06 -0.53 1.37 0.43 0.04 0.00 0.00 177.00 178.37 1y18 n SER 195 N 5.59 -0.40 -0.31 6.66 7.64 -0.20 -0.20 113.62 132.39 1y18 n SER 195 Ca 0.12 1.52 0.13 0.00 1.01 0.00 0.00 58.87 61.65 1y18 n SER 195 Cb 0.46 -0.42 0.31 0.00 -1.01 0.00 0.00 64.21 63.55 1y18 n SER 195 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1y18 h SER 196 N 0.00 0.43 0.31 6.43 4.64 -1.80 0.27 113.55 123.83 1y18 h SER 196 Ca 0.38 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1y18 h SER 196 Cb 0.60 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1y18 h SER 196 CO -0.90 0.05 0.00 0.77 -0.87 0.00 0.00 176.83 175.89 1y18 h SER 197 N 0.47 0.00 -2.54 4.97 4.64 -0.97 -3.42 113.55 116.70 1y18 h SER 197 Ca 0.57 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.34 1y18 h SER 197 Cb 1.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1y18 h SER 197 CO -0.49 0.00 1.13 -0.76 -0.87 0.00 0.00 176.83 175.84 1y18 s LEU 198 N -5.12 4.32 0.00 5.97 1.43 0.95 0.77 118.68 127.00 1y18 s LEU 198 Ca -0.01 2.32 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 1y18 s LEU 198 Cb 0.09 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1y18 s LEU 198 CO 0.34 -0.99 0.00 0.61 0.23 0.00 0.00 176.35 176.54 1y18 n GLY 199 N 4.29 2.10 0.07 -3.19 0.00 -1.26 -4.82 105.19 102.38 1y18 n GLY 199 Ca 0.18 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 1y18 n GLY 199 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1y18 n THR 200 N 0.00 1.08 -2.45 2.61 -1.04 -0.30 -4.98 114.28 109.20 1y18 n THR 200 Ca 0.00 0.24 -0.37 0.00 -2.04 0.00 0.00 64.05 61.88 1y18 n THR 200 Cb 0.00 -2.11 -0.03 0.00 -1.82 0.00 0.00 70.33 66.37 1y18 n THR 200 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1y18 s GLN 203 N -2.37 4.17 -0.16 -2.82 2.00 0.23 -5.04 119.66 115.67 1y18 s GLN 203 Ca -0.21 1.65 -0.06 0.00 -2.00 0.00 0.00 55.36 54.74 1y18 s GLN 203 Cb 0.03 -2.65 -0.04 0.00 0.80 0.00 0.00 33.01 31.15 1y18 s GLN 203 CO 0.31 -0.16 0.05 0.99 -0.50 0.00 0.00 175.29 175.97 1y18 s THR 205 N -1.52 4.66 -0.24 -0.34 2.01 -1.26 -4.71 115.64 114.23 1y18 s THR 205 Ca 0.56 -0.09 -0.03 0.00 0.31 0.00 0.00 61.69 62.44 1y18 s THR 205 Cb -0.26 -3.07 0.01 0.00 0.01 0.00 0.00 72.50 69.19 1y18 s THR 205 CO 0.33 0.49 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.40 1y18 s TYR 206 N 0.14 3.01 -0.07 4.92 2.02 -1.26 -4.95 117.35 121.16 1y18 s TYR 206 Ca 0.04 -1.20 0.03 0.00 -0.37 0.00 0.00 57.07 55.56 1y18 s TYR 206 Cb -0.12 -2.10 0.01 0.00 -0.40 0.00 0.00 41.96 39.35 1y18 s TYR 206 CO 0.01 -0.63 -0.15 0.42 -1.57 0.00 0.00 175.55 173.63 1y18 s ILE 207 N 1.42 1.35 -0.16 2.71 1.01 -1.26 -1.15 121.20 125.11 1y18 s ILE 207 Ca 0.03 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 1y18 s ILE 207 Cb -0.15 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 1y18 s ILE 207 CO -0.03 0.40 0.09 0.00 0.00 0.00 0.00 174.94 175.39 1y18 s ASN 209 N -0.09 5.72 -0.09 0.00 -0.87 0.35 -1.91 114.94 118.04 1y18 s ASN 209 Ca 0.08 -1.32 -0.09 0.00 -1.57 0.00 0.00 52.86 49.96 1y18 s ASN 209 Cb -0.12 -2.02 -0.04 0.00 -0.02 0.00 0.00 41.25 39.05 1y18 s ASN 209 CO 0.01 -0.50 0.20 -0.69 -2.57 0.00 0.00 177.10 173.55 1y18 s VAL 210 N 1.49 5.40 -0.02 1.60 1.01 0.13 -1.41 120.40 128.60 1y18 s VAL 210 Ca 0.03 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1y18 s VAL 210 Cb -0.22 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.70 1y18 s VAL 210 CO 0.04 0.60 -0.01 0.21 0.00 0.00 0.00 175.10 175.95 1y18 s ASN 211 N -1.07 0.31 -0.40 3.32 2.47 0.02 -0.84 114.94 118.76 1y18 s ASN 211 Ca 0.17 -0.02 0.02 0.00 0.42 0.00 0.00 52.86 53.45 1y18 s ASN 211 Cb -0.13 -0.13 0.15 0.00 -1.45 0.00 0.00 41.25 39.69 1y18 s ASN 211 CO 0.07 -0.05 0.26 -2.28 -3.72 0.00 0.00 177.10 171.37 1y18 s HIS 212 N 0.60 1.23 0.19 0.43 5.65 -0.02 -0.90 115.29 122.47 1y18 s HIS 212 Ca -0.06 -2.05 -0.19 0.00 0.25 0.00 0.00 55.06 53.01 1y18 s HIS 212 Cb -0.09 -1.22 0.16 0.00 -1.18 0.00 0.00 32.58 30.25 1y18 s HIS 212 CO -0.01 -0.81 1.60 0.87 -0.65 0.00 0.00 174.74 175.74 1y18 h LYS 213 N 6.55 -0.12 -1.06 2.88 6.56 -1.79 -1.42 116.57 128.17 1y18 h LYS 213 Ca 0.10 0.01 0.36 0.00 -1.06 0.00 0.00 60.65 60.05 1y18 h LYS 213 Cb 0.94 0.03 -0.15 0.00 -0.57 0.00 0.00 32.23 32.47 1y18 h LYS 213 CO 0.36 -0.08 0.62 -1.35 -2.06 0.00 0.00 179.45 176.94 1y18 h PRO 214 N -0.13 0.22 -0.45 3.15 0.11 -1.91 0.60 132.00 133.59 1y18 h PRO 214 Ca 0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1y18 h PRO 214 Cb 0.53 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1y18 h PRO 214 CO -0.67 0.14 0.00 -1.13 -0.21 0.00 0.00 178.00 176.14 1y18 n SER 215 N -5.01 3.32 -4.03 -2.05 3.41 -0.90 -4.93 113.62 103.43 1y18 n SER 215 Ca 0.34 -2.08 -0.32 0.00 -0.26 0.00 0.00 58.87 56.55 1y18 n SER 215 Cb 1.12 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 1y18 n SER 215 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1y18 n ASN 216 N 0.76 -3.52 -4.88 4.04 4.05 0.21 -4.89 115.26 111.04 1y18 n ASN 216 Ca 0.16 -0.90 -0.37 0.00 0.45 0.00 0.00 54.58 53.92 1y18 n ASN 216 Cb 0.52 -3.36 -0.06 0.00 1.23 0.00 0.00 39.78 38.12 1y18 n ASN 216 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1y18 s THR 217 N -3.39 5.51 -0.12 -0.44 2.01 -0.65 -4.98 115.64 113.57 1y18 s THR 217 Ca 0.59 0.22 -0.04 0.00 0.31 0.00 0.00 61.69 62.76 1y18 s THR 217 Cb -0.31 -3.40 0.06 0.00 0.01 0.00 0.00 72.50 68.86 1y18 s THR 217 CO 0.87 0.62 0.18 -0.54 -0.69 0.00 0.00 174.62 175.07 1y18 s LYS 218 N -1.03 0.09 -0.02 4.92 1.02 -1.26 -0.84 119.74 122.62 1y18 s LYS 218 Ca 0.15 0.46 0.04 0.00 0.02 0.00 0.00 55.97 56.64 1y18 s LYS 218 Cb -0.12 -0.57 -0.01 0.00 -0.52 0.00 0.00 37.83 36.62 1y18 s LYS 218 CO 0.04 -0.41 -0.13 0.08 -0.92 0.00 0.00 175.35 174.01 1y18 s VAL 219 N 2.31 1.04 -0.32 3.17 1.01 -0.02 -5.00 120.40 122.58 1y18 s VAL 219 Ca 0.04 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1y18 s VAL 219 Cb -0.13 -0.88 0.09 0.00 0.00 0.00 0.00 36.38 35.46 1y18 s VAL 219 CO -0.08 0.30 0.04 -1.81 0.00 0.00 0.00 175.10 173.55 1y18 s ASP 220 N -0.13 4.55 -0.18 3.32 1.01 -1.26 0.22 116.67 124.20 1y18 s ASP 220 Ca 0.02 -1.95 -0.09 0.00 0.71 0.00 0.00 52.55 51.24 1y18 s ASP 220 Cb -0.07 -1.45 -0.05 0.00 1.01 0.00 0.00 42.92 42.36 1y18 s ASP 220 CO 0.00 -0.36 0.10 -0.75 0.21 0.00 0.00 175.17 174.37 1y18 s LYS 221 N 1.08 4.03 -0.34 8.23 2.47 -0.80 -4.92 119.74 129.48 1y18 s LYS 221 Ca 0.08 -0.26 -0.18 0.00 -1.56 0.00 0.00 55.97 54.05 1y18 s LYS 221 Cb -0.19 -3.31 -0.01 0.00 -1.46 0.00 0.00 37.83 32.87 1y18 s LYS 221 CO -0.11 0.33 0.51 0.21 0.16 0.00 0.00 175.35 176.45 1y18 s LYS 222 N 0.23 3.67 -0.25 4.03 2.20 -1.26 -1.35 119.74 127.01 1y18 s LYS 222 Ca 0.07 -0.12 -0.19 0.00 -0.36 0.00 0.00 55.97 55.37 1y18 s LYS 222 Cb -0.12 -3.79 -0.02 0.00 -1.51 0.00 0.00 37.83 32.39 1y18 s LYS 222 CO -0.01 -0.61 0.57 0.08 -0.36 0.00 0.00 175.35 175.03 1y18 s VAL 223 N 2.37 5.03 0.28 4.02 1.01 -0.30 -5.01 120.40 127.81 1y18 s VAL 223 Ca 0.19 1.02 0.08 0.00 0.00 0.00 0.00 61.98 63.27 1y18 s VAL 223 Cb -0.15 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 1y18 s VAL 223 CO 0.13 0.07 -0.11 -1.61 0.00 0.00 0.00 175.10 173.57 1y18 s GLU 226 N 2.32 1.58 0.01 2.72 2.02 -1.26 -4.43 118.70 121.66 1y18 s GLU 226 Ca 0.24 -1.77 -0.30 0.00 0.02 0.00 0.00 54.97 53.16 1y18 s GLU 226 Cb -0.16 -1.37 -0.06 0.00 0.10 0.00 0.00 34.13 32.64 1y18 s GLU 226 CO 0.09 0.15 1.56 -2.14 0.02 0.00 0.00 175.26 174.94 1y18 s PRO 227 N -3.64 4.22 0.13 0.39 0.02 -1.26 -4.32 135.00 130.53 1y18 s PRO 227 Ca 0.29 2.15 -0.33 0.00 0.02 0.00 0.00 61.00 63.13 1y18 s PRO 227 Cb 0.01 -3.70 -0.13 0.00 0.02 0.00 0.00 34.50 30.70 1y18 s PRO 227 CO 0.12 -0.71 1.69 1.63 -0.33 0.00 0.00 177.00 179.40 1y18 n LYS 228 N 5.99 2.39 -1.89 5.54 5.02 -1.26 -4.89 118.16 129.06 1y18 n LYS 228 Ca 0.15 0.87 -0.42 0.00 -2.02 0.00 0.00 58.31 56.89 1y18 n LYS 228 Cb 0.42 -2.68 -0.03 0.00 -0.02 0.00 0.00 35.03 32.72 1y18 n LYS 228 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1y18 s SER 232 N 1.68 6.58 0.00 4.39 0.15 -1.26 -5.10 113.70 120.13 1y18 s SER 232 Ca 0.80 2.49 0.15 0.00 0.70 0.00 0.00 55.95 60.09 1y18 s SER 232 Cb -0.61 -2.55 0.12 0.00 -1.71 0.00 0.00 66.02 61.27 1y18 s SER 232 CO 0.38 -0.93 0.97 0.00 1.20 0.00 0.00 173.24 174.87