#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i9i s VAL 2 N 0.00 2.73 -0.17 6.31 1.01 -1.26 -4.04 120.40 124.98 1i9i s VAL 2 Ca 0.00 0.70 -0.10 0.00 0.00 0.00 0.00 61.98 62.59 1i9i s VAL 2 Cb 0.00 -3.44 0.06 0.00 0.00 0.00 0.00 36.38 33.00 1i9i s VAL 2 CO 0.00 0.14 0.41 -0.75 0.00 0.00 0.00 175.10 174.91 1i9i s LYS 3 N -1.95 0.41 -0.04 2.72 2.20 0.37 -4.97 119.74 118.48 1i9i s LYS 3 Ca 0.52 0.77 0.05 0.00 -0.36 0.00 0.00 55.97 56.95 1i9i s LYS 3 Cb -0.38 0.01 -0.01 0.00 -1.51 0.00 0.00 37.83 35.93 1i9i s LYS 3 CO 0.51 -0.15 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.65 1i9i s LEU 4 N 1.27 1.97 -0.18 5.43 1.02 -1.26 -1.23 118.68 125.70 1i9i s LEU 4 Ca -0.08 -0.37 -0.03 0.00 0.02 0.00 0.00 54.13 53.67 1i9i s LEU 4 Cb -0.08 -1.02 0.06 0.00 0.02 0.00 0.00 46.19 45.17 1i9i s LEU 4 CO -0.11 0.19 0.04 -0.69 0.02 0.00 0.00 176.35 175.79 1i9i s VAL 5 N -0.11 0.43 0.65 -1.59 1.01 -0.84 -4.22 120.40 115.72 1i9i s VAL 5 Ca -0.01 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 1i9i s VAL 5 Cb -0.11 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.37 1i9i s VAL 5 CO 0.02 -0.17 1.00 -1.61 0.00 0.00 0.00 175.10 174.33 1i9i s GLU 6 N 1.91 2.86 0.02 2.72 8.01 -1.26 -0.50 118.70 132.46 1i9i s GLU 6 Ca 0.00 0.20 -0.28 0.00 0.01 0.00 0.00 54.97 54.91 1i9i s GLU 6 Cb -0.16 -2.15 0.10 0.00 -4.31 0.00 0.00 34.13 27.60 1i9i s GLU 6 CO -0.08 -0.88 1.24 -1.54 0.01 0.00 0.00 175.26 174.01 1i9i s SER 7 N -4.34 -0.02 0.00 -0.19 1.04 -0.27 -4.86 113.70 105.07 1i9i s SER 7 Ca 0.56 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.72 1i9i s SER 7 Cb -0.11 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1i9i s SER 7 CO 0.48 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1i9i n GLY 8 N -0.75 0.71 3.74 7.32 0.00 -1.26 -1.92 105.19 113.04 1i9i n GLY 8 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1i9i n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i9i s GLY 9 N -1.49 1.59 0.00 -0.02 0.00 -1.26 -4.73 107.32 101.40 1i9i s GLY 9 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.13 1i9i s GLY 9 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 173.10 173.75 1i9i n GLY 10 N -1.88 0.45 3.72 0.20 0.00 -0.53 -4.98 105.19 102.17 1i9i n GLY 10 Ca 0.08 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 1i9i n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i9i s LEU 11 N 0.00 4.36 0.01 0.99 2.96 -1.26 -1.21 118.68 124.52 1i9i s LEU 11 Ca 0.00 1.43 0.03 0.00 -0.22 0.00 0.00 54.13 55.37 1i9i s LEU 11 Cb 0.00 -3.32 -0.01 0.00 0.50 0.00 0.00 46.19 43.36 1i9i s LEU 11 CO 0.00 -0.16 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.08 1i9i s VAL 12 N 0.79 0.73 0.55 1.68 1.01 0.12 -4.95 120.40 120.31 1i9i s VAL 12 Ca 0.44 -0.55 -0.16 0.00 0.00 0.00 0.00 61.98 61.71 1i9i s VAL 12 Cb -0.20 -0.64 -0.06 0.00 0.00 0.00 0.00 36.38 35.48 1i9i s VAL 12 CO 0.23 0.09 1.01 -0.54 0.00 0.00 0.00 175.10 175.90 1i9i s LYS 13 N -0.51 3.72 0.23 2.72 1.02 -1.26 -0.99 119.74 124.67 1i9i s LYS 13 Ca 0.01 1.03 -0.32 0.00 0.02 0.00 0.00 55.97 56.72 1i9i s LYS 13 Cb -0.05 -2.10 -0.12 0.00 -0.52 0.00 0.00 37.83 35.04 1i9i s LYS 13 CO 0.00 -0.46 1.69 -2.30 -0.92 0.00 0.00 175.35 173.35 1i9i n PRO 14 N -1.78 2.74 -0.22 -1.68 -0.02 -1.26 -0.98 135.00 131.80 1i9i n PRO 14 Ca 0.07 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 1i9i n PRO 14 Cb 0.54 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1i9i n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i9i n GLY 15 N 3.52 1.04 3.85 -1.23 0.00 0.79 -4.95 105.19 108.21 1i9i n GLY 15 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1i9i n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i9i s GLY 16 N -1.73 1.77 0.17 -0.02 0.00 -0.15 -4.09 107.32 103.27 1i9i s GLY 16 Ca 0.00 -1.26 0.07 0.00 0.00 0.00 0.00 44.72 43.53 1i9i s GLY 16 CO 0.00 -0.41 -0.15 -0.56 0.00 0.00 0.00 173.10 171.99 1i9i s SER 17 N -4.73 2.36 -0.13 1.64 0.01 -1.26 -1.94 113.70 109.65 1i9i s SER 17 Ca 0.76 -0.93 -0.29 0.00 1.31 0.00 0.00 55.95 56.80 1i9i s SER 17 Cb -0.04 -0.11 0.08 0.00 0.21 0.00 0.00 66.02 66.17 1i9i s SER 17 CO 0.54 -0.15 0.75 -0.22 0.41 0.00 0.00 173.24 174.57 1i9i s LEU 18 N -2.93 -0.64 -0.20 2.44 2.96 -0.42 -5.00 118.68 114.89 1i9i s LEU 18 Ca 0.17 0.89 -0.00 0.00 -0.22 0.00 0.00 54.13 54.96 1i9i s LEU 18 Cb -0.03 2.41 0.05 0.00 0.50 0.00 0.00 46.19 49.13 1i9i s LEU 18 CO 0.05 -0.46 -0.04 -0.75 -1.32 0.00 0.00 176.35 173.83 1i9i s LYS 19 N -0.68 1.38 0.39 1.98 2.20 -1.26 0.14 119.74 123.88 1i9i s LYS 19 Ca -0.06 -0.70 -0.12 0.00 -0.36 0.00 0.00 55.97 54.73 1i9i s LYS 19 Cb -0.02 -2.28 -0.07 0.00 -1.51 0.00 0.00 37.83 33.95 1i9i s LYS 19 CO 0.06 -0.54 0.77 -0.51 -0.36 0.00 0.00 175.35 174.76 1i9i s LEU 20 N 1.57 3.89 0.07 5.43 1.43 -0.40 -4.79 118.68 125.87 1i9i s LEU 20 Ca -0.02 1.18 0.08 0.00 -1.03 0.00 0.00 54.13 54.34 1i9i s LEU 20 Cb -0.17 -4.04 -0.03 0.00 0.03 0.00 0.00 46.19 41.97 1i9i s LEU 20 CO -0.07 -0.35 -0.23 -0.44 0.23 0.00 0.00 176.35 175.49 1i9i s SER 21 N -2.92 2.75 -0.22 2.29 0.01 -0.81 -1.91 113.70 112.89 1i9i s SER 21 Ca 0.52 -0.60 -0.02 0.00 1.31 0.00 0.00 55.95 57.16 1i9i s SER 21 Cb -0.10 -0.21 0.07 0.00 0.21 0.00 0.00 66.02 65.99 1i9i s SER 21 CO 0.28 0.16 0.04 0.00 0.41 0.00 0.00 173.24 174.13 1i9i s ALA 23 N 1.79 3.21 0.25 0.00 0.00 0.34 -1.16 121.76 126.20 1i9i s ALA 23 Ca 0.01 -1.20 -0.11 0.00 0.00 0.00 0.00 51.96 50.66 1i9i s ALA 23 Cb -0.17 -3.64 -0.08 0.00 0.00 0.00 0.00 23.12 19.23 1i9i s ALA 23 CO -0.12 -2.23 0.59 0.00 0.00 0.00 0.00 175.76 174.00 1i9i s ALA 24 N 3.69 3.51 -0.08 0.00 0.00 -0.72 -1.98 121.76 126.17 1i9i s ALA 24 Ca 0.29 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.75 1i9i s ALA 24 Cb -0.13 -2.51 0.09 0.00 0.00 0.00 0.00 23.12 20.57 1i9i s ALA 24 CO 0.20 0.46 0.80 -1.54 0.00 0.00 0.00 175.76 175.68 1i9i s SER 25 N -2.35 -0.54 0.00 0.00 1.04 -0.36 -4.89 113.70 106.60 1i9i s SER 25 Ca 0.49 0.54 0.00 0.00 0.48 0.00 0.00 55.95 57.46 1i9i s SER 25 Cb -0.11 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1i9i s SER 25 CO 0.20 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1i9i n GLY 26 N 0.74 0.33 3.55 7.32 0.00 -1.26 -0.48 105.19 115.40 1i9i n GLY 26 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 1i9i n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1i9i s PHE 27 N -2.00 0.19 -0.93 1.61 -0.71 -1.26 -4.34 117.98 110.54 1i9i s PHE 27 Ca 0.00 -0.55 -0.24 0.00 -1.04 0.00 0.00 56.93 55.10 1i9i s PHE 27 Cb 0.00 0.25 0.02 0.00 -1.21 0.00 0.00 43.02 42.08 1i9i s PHE 27 CO 0.00 -0.95 1.56 0.99 -1.34 0.00 0.00 175.22 175.48 1i9i s THR 28 N -3.96 3.75 0.33 -4.49 2.01 -1.26 -4.89 115.64 107.13 1i9i s THR 28 Ca 0.17 -0.45 0.26 0.00 0.31 0.00 0.00 61.69 61.98 1i9i s THR 28 Cb -0.01 -4.74 0.39 0.00 0.01 0.00 0.00 72.50 68.15 1i9i s THR 28 CO 0.04 -1.65 1.11 0.33 -0.69 0.00 0.00 174.62 173.76 1i9i n PHE 29 N 10.30 0.40 1.12 4.92 7.35 -1.26 -1.00 117.46 139.30 1i9i n PHE 29 Ca 0.29 0.41 0.12 0.00 -0.76 0.00 0.00 57.45 57.52 1i9i n PHE 29 Cb 0.50 -0.80 0.19 0.00 0.35 0.00 0.00 39.48 39.72 1i9i n PHE 29 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1i9i n SER 30 N -3.97 2.44 0.05 -2.13 3.41 -1.26 -4.38 113.62 107.78 1i9i n SER 30 Ca 0.29 -1.77 -0.19 0.00 -0.26 0.00 0.00 58.87 56.94 1i9i n SER 30 Cb 1.18 0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 65.11 1i9i n SER 30 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1i9i h THR 31 N 3.71 1.30 -2.15 6.66 2.02 -1.43 -3.43 112.91 119.58 1i9i h THR 31 Ca 0.00 -2.28 -0.48 0.00 0.77 0.00 0.00 66.41 64.41 1i9i h THR 31 Cb 0.83 2.39 -0.03 0.00 -1.74 0.00 0.00 68.15 69.61 1i9i h THR 31 CO 0.00 0.70 -0.48 -0.31 0.37 0.00 0.00 175.52 175.81 1i9i s TYR 32 N -3.30 3.22 0.32 3.16 2.02 -1.26 -4.70 117.35 116.82 1i9i s TYR 32 Ca -0.09 -0.10 -0.19 0.00 -0.37 0.00 0.00 57.07 56.33 1i9i s TYR 32 Cb 0.07 -1.52 -0.09 0.00 -0.40 0.00 0.00 41.96 40.02 1i9i s TYR 32 CO 0.92 0.44 0.81 0.00 -1.57 0.00 0.00 175.55 176.15 1i9i s ALA 33 N -2.09 3.26 0.12 3.71 0.00 -1.26 -4.19 121.76 121.32 1i9i s ALA 33 Ca 0.34 0.21 0.09 0.00 0.00 0.00 0.00 51.96 52.60 1i9i s ALA 33 Cb -0.08 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 1i9i s ALA 33 CO 0.27 0.27 -0.21 -0.51 0.00 0.00 0.00 175.76 175.57 1i9i s LEU 34 N -2.68 2.34 0.08 0.00 1.43 -0.40 -1.27 118.68 118.18 1i9i s LEU 34 Ca 0.53 -0.74 -0.08 0.00 -1.03 0.00 0.00 54.13 52.81 1i9i s LEU 34 Cb -0.12 -0.93 -0.01 0.00 0.03 0.00 0.00 46.19 45.16 1i9i s LEU 34 CO 0.18 0.06 0.16 -0.44 0.23 0.00 0.00 176.35 176.53 1i9i s SER 35 N -2.13 0.17 -0.11 2.29 0.01 0.95 -0.90 113.70 113.98 1i9i s SER 35 Ca 0.10 -0.68 0.02 0.00 1.31 0.00 0.00 55.95 56.70 1i9i s SER 35 Cb -0.09 0.31 -0.00 0.00 0.21 0.00 0.00 66.02 66.45 1i9i s SER 35 CO 0.05 -0.70 -0.20 0.26 0.41 0.00 0.00 173.24 173.07 1i9i s TRP 36 N -3.77 2.66 -0.06 2.43 0.52 -0.05 -0.27 118.94 120.41 1i9i s TRP 36 Ca 0.04 -0.92 0.01 0.00 0.02 0.00 0.00 56.10 55.26 1i9i s TRP 36 Cb 0.05 -1.77 0.02 0.00 -1.15 0.00 0.00 33.47 30.62 1i9i s TRP 36 CO -0.10 -0.35 -0.06 0.08 0.02 0.00 0.00 176.95 176.53 1i9i s VAL 37 N 0.37 0.70 0.19 4.03 1.01 -0.20 -0.44 120.40 126.06 1i9i s VAL 37 Ca -0.15 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 61.69 1i9i s VAL 37 Cb -0.17 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1i9i s VAL 37 CO 0.07 0.27 0.10 0.00 0.00 0.00 0.00 175.10 175.54 1i9i s ARG 38 N 1.00 2.74 -0.18 2.72 1.70 -0.63 -1.27 118.95 125.02 1i9i s ARG 38 Ca -0.09 -1.00 0.00 0.00 -0.47 0.00 0.00 55.73 54.17 1i9i s ARG 38 Cb -0.14 -2.53 0.04 0.00 -0.57 0.00 0.00 34.95 31.75 1i9i s ARG 38 CO -0.00 0.46 -0.09 -1.14 -1.08 0.00 0.00 175.30 173.45 1i9i s GLN 39 N -3.22 1.85 0.75 3.89 0.74 0.72 -1.07 119.66 123.32 1i9i s GLN 39 Ca 0.30 -0.72 -0.13 0.00 0.05 0.00 0.00 55.36 54.87 1i9i s GLN 39 Cb -0.09 -2.26 0.19 0.00 1.10 0.00 0.00 33.01 31.94 1i9i s GLN 39 CO 0.22 -0.42 0.70 0.25 -0.55 0.00 0.00 175.29 175.49 1i9i n THR 40 N 4.75 0.00 -0.29 -0.34 -2.24 -0.47 -1.69 114.28 114.00 1i9i n THR 40 Ca -0.14 -0.33 -0.05 0.00 -2.27 0.00 0.00 64.05 61.26 1i9i n THR 40 Cb 0.47 -1.20 0.07 0.00 -2.10 0.00 0.00 70.33 67.57 1i9i n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i9i h ALA 41 N -2.41 1.02 0.00 6.98 0.00 -1.89 -3.02 119.26 119.94 1i9i h ALA 41 Ca -0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1i9i h ALA 41 Cb 0.78 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1i9i h ALA 41 CO 0.17 0.58 0.00 -0.40 0.00 0.00 0.00 179.25 179.60 1i9i n ASP 42 N -4.37 2.12 0.00 0.00 5.75 -1.26 -4.76 116.55 114.03 1i9i n ASP 42 Ca 0.07 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.25 1i9i n ASP 42 Cb 0.13 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 1i9i n ASP 42 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1i9i n LYS 43 N 0.51 -1.42 -2.10 0.11 4.76 -1.14 -4.93 118.16 113.95 1i9i n LYS 43 Ca 0.00 0.35 -0.42 0.00 -2.87 0.00 0.00 58.31 55.38 1i9i n LYS 43 Cb 0.37 -4.77 -0.03 0.00 -1.84 0.00 0.00 35.03 28.75 1i9i n LYS 43 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1i9i s ARG 44 N -1.66 4.31 -0.10 1.97 6.06 -1.26 -4.85 118.95 123.42 1i9i s ARG 44 Ca 0.00 2.18 -0.02 0.00 -2.50 0.00 0.00 55.73 55.39 1i9i s ARG 44 Cb 0.00 -3.18 -0.03 0.00 0.06 0.00 0.00 34.95 31.80 1i9i s ARG 44 CO 0.00 -0.41 -0.01 -0.51 -2.50 0.00 0.00 175.30 171.87 1i9i s LEU 45 N 0.39 3.50 -0.08 -0.88 1.43 -1.26 -1.37 118.68 120.41 1i9i s LEU 45 Ca 0.62 0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.77 1i9i s LEU 45 Cb -0.39 -1.81 0.05 0.00 0.03 0.00 0.00 46.19 44.06 1i9i s LEU 45 CO 0.36 0.33 0.15 -0.70 0.23 0.00 0.00 176.35 176.72 1i9i s GLU 46 N -0.58 0.03 0.33 1.70 2.12 -0.23 -5.01 118.70 117.06 1i9i s GLU 46 Ca 0.09 0.53 -0.29 0.00 0.36 0.00 0.00 54.97 55.67 1i9i s GLU 46 Cb -0.12 -0.34 -0.12 0.00 0.26 0.00 0.00 34.13 33.82 1i9i s GLU 46 CO 0.02 -0.32 1.49 1.87 -0.54 0.00 0.00 175.26 177.78 1i9i n TRP 47 N 5.32 2.80 -0.03 5.30 -0.00 -1.26 -1.61 117.44 127.96 1i9i n TRP 47 Ca -0.04 0.39 -0.04 0.00 -0.00 0.00 0.00 57.50 57.81 1i9i n TRP 47 Cb 0.50 -2.53 -0.03 0.00 -0.00 0.00 0.00 31.31 29.25 1i9i n TRP 47 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1i9i n VAL 48 N 1.10 0.33 -3.52 5.87 0.31 0.41 -4.76 118.33 118.07 1i9i n VAL 48 Ca 0.05 -0.13 -0.08 0.00 -0.01 0.00 0.00 64.34 64.17 1i9i n VAL 48 Cb 0.37 -0.72 -0.02 0.00 -0.91 0.00 0.00 33.84 32.56 1i9i n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i9i s ALA 49 N -2.12 -1.87 -0.02 3.52 0.00 -1.04 -3.76 121.76 116.47 1i9i s ALA 49 Ca -0.08 1.17 -0.10 0.00 0.00 0.00 0.00 51.96 52.95 1i9i s ALA 49 Cb 0.02 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.36 1i9i s ALA 49 CO 0.14 -0.63 0.22 -1.12 0.00 0.00 0.00 175.76 174.37 1i9i s SER 50 N -2.26 -0.11 -0.15 0.00 0.01 -0.81 -0.87 113.70 109.51 1i9i s SER 50 Ca 0.05 0.04 -0.00 0.00 1.31 0.00 0.00 55.95 57.34 1i9i s SER 50 Cb -0.01 0.30 0.03 0.00 0.21 0.00 0.00 66.02 66.56 1i9i s SER 50 CO -0.07 -0.34 -0.08 -0.51 0.41 0.00 0.00 173.24 172.65 1i9i s ILE 51 N -1.04 1.23 0.45 1.44 1.10 -0.07 -1.50 121.20 122.81 1i9i s ILE 51 Ca -0.11 -0.56 -0.07 0.00 -0.51 0.00 0.00 60.65 59.40 1i9i s ILE 51 Cb -0.06 -1.29 -0.04 0.00 0.15 0.00 0.00 42.46 41.22 1i9i s ILE 51 CO 0.02 0.28 0.77 0.68 -2.11 0.00 0.00 174.94 174.59 1i9i s VAL 52 N 1.60 4.88 0.42 4.00 -7.23 -0.41 -1.27 120.40 122.40 1i9i s VAL 52 Ca 0.03 0.30 0.26 0.00 -1.81 0.00 0.00 61.98 60.76 1i9i s VAL 52 Cb -0.14 -3.83 0.45 0.00 0.56 0.00 0.00 36.38 33.43 1i9i s VAL 52 CO -0.09 -0.75 1.68 -1.28 -0.31 0.00 0.00 175.10 174.35 1i9i h SER 53 N 0.54 0.31 0.33 4.85 0.87 -1.83 0.24 113.55 118.86 1i9i h SER 53 Ca -0.47 0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.15 1i9i h SER 53 Cb 1.20 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.24 1i9i h SER 53 CO 0.62 -0.09 -0.26 1.23 -0.53 0.00 0.00 176.83 177.80 1i9i h GLY 54 N 0.19 0.00 0.00 5.77 0.00 -1.92 -3.46 103.07 103.64 1i9i h GLY 54 Ca 0.74 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.07 1i9i h GLY 54 CO -0.38 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.77 1i9i n GLY 55 N -0.66 1.14 3.78 4.60 0.00 0.85 -5.11 105.19 109.80 1i9i n GLY 55 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1i9i n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i9i s ASN 56 N -1.05 6.11 -0.06 1.61 0.01 -1.25 -4.82 114.94 115.49 1i9i s ASN 56 Ca 0.00 2.07 0.02 0.00 -0.71 0.00 0.00 52.86 54.25 1i9i s ASN 56 Cb 0.00 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.10 1i9i s ASN 56 CO 0.00 -0.95 -0.13 0.42 -1.51 0.00 0.00 177.10 174.94 1i9i s THR 57 N -1.83 1.15 0.08 1.60 -4.23 -1.26 -1.28 115.64 109.86 1i9i s THR 57 Ca 0.68 -0.50 0.08 0.00 -1.18 0.00 0.00 61.69 60.78 1i9i s THR 57 Cb -0.21 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.56 1i9i s THR 57 CO 0.25 0.36 -0.19 -0.31 -0.54 0.00 0.00 174.62 174.18 1i9i s TYR 58 N 0.58 2.51 0.03 3.99 1.51 -0.56 -4.99 117.35 120.42 1i9i s TYR 58 Ca -0.13 -0.28 -0.00 0.00 -1.01 0.00 0.00 57.07 55.65 1i9i s TYR 58 Cb -0.15 -1.40 -0.02 0.00 -0.11 0.00 0.00 41.96 40.28 1i9i s TYR 58 CO 0.03 0.30 -0.03 0.71 -1.11 0.00 0.00 175.55 175.45 1i9i s TYR 59 N -1.01 0.35 0.57 2.71 2.02 -1.26 -1.93 117.35 118.79 1i9i s TYR 59 Ca 0.16 -0.64 -0.10 0.00 -0.37 0.00 0.00 57.07 56.12 1i9i s TYR 59 Cb -0.10 -0.25 0.13 0.00 -0.40 0.00 0.00 41.96 41.34 1i9i s TYR 59 CO 0.07 -0.22 0.69 -1.13 -1.57 0.00 0.00 175.55 173.39 1i9i n SER 60 N 1.26 -0.42 0.00 2.29 3.41 -1.25 -4.86 113.62 114.06 1i9i n SER 60 Ca -0.22 -1.15 -0.14 0.00 -0.26 0.00 0.00 58.87 57.10 1i9i n SER 60 Cb 0.56 -0.55 -0.14 0.00 -0.26 0.00 0.00 64.21 63.82 1i9i n SER 60 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1i9i h GLY 61 N -1.17 0.15 1.51 5.00 0.00 -1.95 -2.73 103.07 103.88 1i9i h GLY 61 Ca -0.23 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1i9i h GLY 61 CO 0.16 0.33 0.00 -1.14 0.00 0.00 0.00 176.54 175.89 1i9i n SER 62 N -3.26 0.00 0.00 0.19 3.41 -1.26 -3.61 113.62 109.09 1i9i n SER 62 Ca -0.22 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1i9i n SER 62 Cb 1.05 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 1i9i n SER 62 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1i9i n VAL 63 N -1.26 0.00 -1.14 -3.33 0.31 -1.25 -5.01 118.33 106.65 1i9i n VAL 63 Ca 0.05 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.94 1i9i n VAL 63 Cb 0.08 -0.58 -0.06 0.00 -0.91 0.00 0.00 33.84 32.37 1i9i n VAL 63 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1i9i n LYS 64 N -2.49 0.00 0.00 5.55 4.81 -1.03 -0.95 118.16 124.06 1i9i n LYS 64 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1i9i n LYS 64 Cb 0.46 -1.07 0.00 0.00 0.02 0.00 0.00 35.03 34.44 1i9i n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i9i n GLY 65 N 1.79 2.79 0.08 3.14 0.00 -1.26 -4.81 105.19 106.92 1i9i n GLY 65 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 1i9i n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i9i n ARG 66 N -0.05 1.12 -4.08 1.61 1.74 -0.12 -4.97 116.66 111.90 1i9i n ARG 66 Ca 0.00 0.04 -0.35 0.00 -0.77 0.00 0.00 57.85 56.77 1i9i n ARG 66 Cb 0.00 -1.38 -0.07 0.00 -1.02 0.00 0.00 32.46 29.99 1i9i n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1i9i s PHE 67 N -2.37 3.37 -0.06 -1.55 0.40 -1.18 -0.87 117.98 115.73 1i9i s PHE 67 Ca -0.15 0.31 -0.01 0.00 -0.60 0.00 0.00 56.93 56.48 1i9i s PHE 67 Cb 0.05 -1.82 0.03 0.00 0.51 0.00 0.00 43.02 41.79 1i9i s PHE 67 CO 0.54 0.59 -0.00 0.99 0.70 0.00 0.00 175.22 178.05 1i9i s THR 68 N -1.09 0.34 -0.05 0.64 2.01 0.82 -4.86 115.64 113.45 1i9i s THR 68 Ca 0.19 0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.27 1i9i s THR 68 Cb -0.12 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 1i9i s THR 68 CO 0.09 0.24 0.09 -0.51 -0.69 0.00 0.00 174.62 173.83 1i9i s ILE 69 N 1.73 4.92 0.24 1.82 2.07 -1.26 0.70 121.20 131.43 1i9i s ILE 69 Ca 0.01 -0.18 -0.22 0.00 -1.41 0.00 0.00 60.65 58.85 1i9i s ILE 69 Cb -0.13 -3.19 0.03 0.00 0.13 0.00 0.00 42.46 39.31 1i9i s ILE 69 CO -0.04 0.48 0.77 -0.94 -1.91 0.00 0.00 174.94 173.30 1i9i s SER 70 N -1.38 -0.26 0.02 4.50 1.04 -1.04 -5.01 113.70 111.57 1i9i s SER 70 Ca 0.19 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1i9i s SER 70 Cb -0.12 0.67 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 1i9i s SER 70 CO 0.09 -1.22 -0.02 0.00 0.98 0.00 0.00 173.24 173.06 1i9i s ARG 71 N -3.76 0.25 -0.81 4.02 1.70 -1.26 -1.28 118.95 117.80 1i9i s ARG 71 Ca 0.11 -0.47 -0.10 0.00 -0.47 0.00 0.00 55.73 54.79 1i9i s ARG 71 Cb -0.05 0.07 0.21 0.00 -0.57 0.00 0.00 34.95 34.62 1i9i s ARG 71 CO 0.05 -0.03 0.72 0.34 -1.08 0.00 0.00 175.30 175.30 1i9i s ASP 72 N -1.12 6.42 0.17 -2.89 3.68 0.70 -4.95 116.67 118.68 1i9i s ASP 72 Ca -0.12 -2.87 -0.26 0.00 2.13 0.00 0.00 52.55 51.42 1i9i s ASP 72 Cb -0.08 -2.11 0.02 0.00 -1.45 0.00 0.00 42.92 39.31 1i9i s ASP 72 CO -0.01 -0.48 1.56 0.40 0.13 0.00 0.00 175.17 176.78 1i9i h ILE 73 N 4.75 0.07 -0.25 4.11 2.04 -1.97 0.16 117.51 126.41 1i9i h ILE 73 Ca 0.09 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.99 1i9i h ILE 73 Cb 0.99 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1i9i h ILE 73 CO 0.77 0.00 0.01 0.00 0.00 0.00 0.00 178.15 178.93 1i9i h ALA 74 N 0.58 0.23 -0.00 1.87 0.00 -1.97 -2.88 119.26 117.09 1i9i h ALA 74 Ca 0.18 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1i9i h ALA 74 Cb 0.56 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1i9i h ALA 74 CO -0.72 -0.41 -0.11 0.54 0.00 0.00 0.00 179.25 178.56 1i9i n ARG 75 N -5.13 0.12 -3.09 0.00 1.74 -0.90 -4.94 116.66 104.47 1i9i n ARG 75 Ca -0.01 -0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 56.91 1i9i n ARG 75 Cb 0.12 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.11 1i9i n ARG 75 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1i9i n ASN 76 N -1.42 -3.93 -4.23 0.55 3.02 0.50 -4.91 115.26 104.85 1i9i n ASN 76 Ca 0.08 -0.34 -0.32 0.00 -0.03 0.00 0.00 54.58 53.97 1i9i n ASN 76 Cb 0.32 -3.29 -0.17 0.00 -0.61 0.00 0.00 39.78 36.03 1i9i n ASN 76 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1i9i s ILE 77 N -3.20 2.10 -0.16 2.41 -1.09 -1.08 -1.76 121.20 118.40 1i9i s ILE 77 Ca 0.26 -1.01 -0.06 0.00 -2.23 0.00 0.00 60.65 57.61 1i9i s ILE 77 Cb -0.11 -1.79 -0.04 0.00 -1.58 0.00 0.00 42.46 38.93 1i9i s ILE 77 CO 0.45 0.56 0.04 -0.22 -1.23 0.00 0.00 174.94 174.54 1i9i s LEU 78 N 0.30 3.72 0.25 2.97 2.96 -0.31 -0.22 118.68 128.35 1i9i s LEU 78 Ca -0.17 0.08 0.11 0.00 -0.22 0.00 0.00 54.13 53.93 1i9i s LEU 78 Cb -0.18 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 1i9i s LEU 78 CO 0.08 0.22 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.81 1i9i s TYR 79 N 0.10 2.25 -0.20 5.38 2.02 -0.41 -0.42 117.35 126.07 1i9i s TYR 79 Ca 0.04 -0.36 -0.05 0.00 -0.37 0.00 0.00 57.07 56.34 1i9i s TYR 79 Cb -0.12 -1.02 0.07 0.00 -0.40 0.00 0.00 41.96 40.49 1i9i s TYR 79 CO 0.01 0.62 0.12 -1.17 -1.57 0.00 0.00 175.55 173.56 1i9i s LEU 80 N -3.23 0.32 -0.10 -1.29 2.96 -0.80 -2.50 118.68 114.04 1i9i s LEU 80 Ca 0.26 -0.72 -0.24 0.00 -0.22 0.00 0.00 54.13 53.21 1i9i s LEU 80 Cb -0.06 -0.18 -0.03 0.00 0.50 0.00 0.00 46.19 46.42 1i9i s LEU 80 CO 0.13 -0.37 0.73 -1.58 -1.32 0.00 0.00 176.35 173.94 1i9i s GLN 81 N 2.16 4.38 -0.12 1.98 2.00 0.22 -1.27 119.66 129.00 1i9i s GLN 81 Ca 0.04 0.89 0.02 0.00 -2.00 0.00 0.00 55.36 54.32 1i9i s GLN 81 Cb -0.16 -3.49 -0.00 0.00 0.80 0.00 0.00 33.01 30.16 1i9i s GLN 81 CO -0.16 -0.06 -0.19 -1.64 -0.50 0.00 0.00 175.29 172.74 1i9i s MET 82 N 1.23 3.15 0.23 1.67 -1.94 0.12 -0.13 119.30 123.63 1i9i s MET 82 Ca 0.37 -0.81 0.05 0.00 -1.71 0.00 0.00 55.69 53.60 1i9i s MET 82 Cb -0.17 -2.46 -0.05 0.00 2.01 0.00 0.00 34.83 34.15 1i9i s MET 82 CO 0.16 0.12 -0.05 -1.12 -0.01 0.00 0.00 175.02 174.12 1i9i s SER 83 N 0.51 2.20 -1.45 3.03 0.01 -0.05 -1.30 113.70 116.66 1i9i s SER 83 Ca -0.13 -1.15 -0.06 0.00 1.31 0.00 0.00 55.95 55.92 1i9i s SER 83 Cb -0.17 -0.07 0.04 0.00 0.21 0.00 0.00 66.02 66.04 1i9i s SER 83 CO 0.05 -0.39 0.71 -1.20 0.41 0.00 0.00 173.24 172.82 1i9i n SER 84 N -0.43 -2.19 -4.73 2.44 7.64 -1.08 -4.74 113.62 110.53 1i9i n SER 84 Ca -0.06 -0.88 -0.42 0.00 1.01 0.00 0.00 58.87 58.51 1i9i n SER 84 Cb 0.63 -3.57 -0.01 0.00 -1.01 0.00 0.00 64.21 60.25 1i9i n SER 84 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1i9i n LEU 85 N -4.44 4.10 -4.33 -3.43 4.77 -0.82 -4.67 117.00 108.18 1i9i n LEU 85 Ca -0.16 1.19 -0.21 0.00 -0.03 0.00 0.00 56.01 56.79 1i9i n LEU 85 Cb 0.62 -1.55 -0.11 0.00 -2.33 0.00 0.00 43.42 40.04 1i9i n LEU 85 CO 0.74 -0.10 -0.48 -0.13 -1.33 0.00 0.00 177.39 176.09 1i9i s ARG 86 N -1.33 1.27 0.54 3.23 0.52 -1.26 -0.15 118.95 121.77 1i9i s ARG 86 Ca 0.59 -1.41 0.35 0.00 -0.52 0.00 0.00 55.73 54.73 1i9i s ARG 86 Cb -0.53 -1.31 1.52 0.00 0.52 0.00 0.00 34.95 35.14 1i9i s ARG 86 CO 0.57 0.26 1.83 0.77 0.02 0.00 0.00 175.30 178.75 1i9i h SER 87 N 3.21 0.02 0.63 0.23 0.02 -1.96 0.73 113.55 116.43 1i9i h SER 87 Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1i9i h SER 87 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1i9i h SER 87 CO 0.52 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.59 1i9i n GLU 88 N -4.22 0.19 -0.01 3.45 4.71 -1.26 -1.71 120.64 121.79 1i9i n GLU 88 Ca 0.23 0.46 0.14 0.00 -0.01 0.00 0.00 57.16 57.98 1i9i n GLU 88 Cb 1.14 -1.89 0.67 0.00 -1.01 0.00 0.00 31.44 30.35 1i9i n GLU 88 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1i9i n ASP 89 N -2.26 0.81 -4.67 1.62 8.00 0.25 -4.82 116.55 115.48 1i9i n ASP 89 Ca 0.02 -1.33 -0.42 0.00 0.71 0.00 0.00 54.79 53.76 1i9i n ASP 89 Cb 0.20 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 1i9i n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i9i s THR 90 N -1.97 3.73 -0.02 -3.53 2.01 -0.69 -4.89 115.64 110.27 1i9i s THR 90 Ca 0.40 1.01 -0.20 0.00 0.31 0.00 0.00 61.69 63.21 1i9i s THR 90 Cb 0.20 -3.65 0.07 0.00 0.01 0.00 0.00 72.50 69.13 1i9i s THR 90 CO 0.33 -0.05 0.91 0.00 -0.69 0.00 0.00 174.62 175.12 1i9i n ALA 91 N 6.17 -2.56 -2.71 7.40 0.00 -0.62 -4.66 120.51 123.52 1i9i n ALA 91 Ca 0.15 -0.55 -0.37 0.00 0.00 0.00 0.00 53.44 52.67 1i9i n ALA 91 Cb 0.43 0.09 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 1i9i n ALA 91 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1i9i s MET 92 N -2.01 3.96 -0.23 0.00 -2.45 -0.68 -0.78 119.30 117.11 1i9i s MET 92 Ca 0.21 -0.32 -0.08 0.00 -1.25 0.00 0.00 55.69 54.25 1i9i s MET 92 Cb -0.00 -3.51 -0.04 0.00 1.25 0.00 0.00 34.83 32.53 1i9i s MET 92 CO -0.01 -0.03 0.09 0.71 1.05 0.00 0.00 175.02 176.84 1i9i s TYR 93 N 1.28 3.16 0.03 4.11 1.51 -0.80 -0.20 117.35 126.45 1i9i s TYR 93 Ca 0.07 -0.16 0.07 0.00 -1.01 0.00 0.00 57.07 56.03 1i9i s TYR 93 Cb -0.14 -2.21 -0.03 0.00 -0.11 0.00 0.00 41.96 39.46 1i9i s TYR 93 CO 0.06 -0.16 -0.17 0.71 -1.11 0.00 0.00 175.55 174.88 1i9i s TYR 94 N 1.26 2.59 0.07 2.71 1.51 -0.40 -1.43 117.35 123.65 1i9i s TYR 94 Ca 0.05 -0.24 0.03 0.00 -1.01 0.00 0.00 57.07 55.90 1i9i s TYR 94 Cb -0.14 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.18 1i9i s TYR 94 CO 0.04 0.26 0.07 0.00 -1.11 0.00 0.00 175.55 174.80 1i9i s ALA 96 N -1.34 -0.51 -0.12 0.00 0.00 0.63 -2.06 121.76 118.36 1i9i s ALA 96 Ca 0.28 -0.00 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 1i9i s ALA 96 Cb -0.12 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 1i9i s ALA 96 CO 0.20 -0.27 -0.06 0.50 0.00 0.00 0.00 175.76 176.13 1i9i s ARG 97 N -1.70 3.28 1.00 0.00 3.52 -0.49 -0.03 118.95 124.52 1i9i s ARG 97 Ca -0.12 -0.54 -0.11 0.00 -0.13 0.00 0.00 55.73 54.84 1i9i s ARG 97 Cb -0.05 -2.77 0.19 0.00 -1.56 0.00 0.00 34.95 30.77 1i9i s ARG 97 CO 0.01 0.42 1.10 -1.21 -0.81 0.00 0.00 175.30 174.81 1i9i s GLU 98 N -0.13 0.36 -0.04 5.12 0.41 -0.40 -2.28 118.70 121.75 1i9i s GLU 98 Ca 0.02 1.27 -0.21 0.00 -0.41 0.00 0.00 54.97 55.64 1i9i s GLU 98 Cb -0.13 -1.67 -0.15 0.00 -1.78 0.00 0.00 34.13 30.40 1i9i s GLU 98 CO 0.03 -2.99 0.92 -0.92 -0.49 0.00 0.00 175.26 171.81 1i9i h TYR 99 N -2.11 -0.26 -1.62 1.61 3.20 -0.65 -3.41 116.97 113.72 1i9i h TYR 99 Ca -0.50 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.42 1i9i h TYR 99 Cb 1.29 0.09 -0.25 0.00 1.54 0.00 0.00 36.73 39.40 1i9i h TYR 99 CO 0.42 0.13 0.46 1.52 -1.64 0.00 0.00 178.16 179.05 1i9i s TYR 100 N -3.64 -0.46 0.00 -3.82 -0.85 -1.26 -5.01 117.35 102.30 1i9i s TYR 100 Ca -0.12 1.04 0.00 0.00 -0.52 0.00 0.00 57.07 57.47 1i9i s TYR 100 Cb 0.01 0.38 0.00 0.00 0.38 0.00 0.00 41.96 42.73 1i9i s TYR 100 CO 0.47 -0.28 0.00 0.41 -1.52 0.00 0.00 175.55 174.63 1i9i n GLY 101 N 1.77 1.33 1.78 5.49 0.00 -1.26 -2.33 105.19 111.96 1i9i n GLY 101 Ca -0.12 0.26 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 1i9i n GLY 101 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1i9i n TYR 102 N 0.00 -0.31 0.47 1.61 9.36 -1.26 -4.57 117.16 122.46 1i9i n TYR 102 Ca 0.00 -1.02 0.12 0.00 3.32 0.00 0.00 57.90 60.32 1i9i n TYR 102 Cb 0.00 0.49 0.27 0.00 -0.63 0.00 0.00 39.34 39.48 1i9i n TYR 102 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1i9i h VAL 103 N 5.32 0.00 0.00 2.97 2.07 -1.89 -3.48 116.25 121.24 1i9i h VAL 103 Ca -0.40 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1i9i h VAL 103 Cb 1.48 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1i9i h VAL 103 CO -0.11 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.09 1i9i n GLY 104 N 1.24 3.14 3.57 2.17 0.00 -1.26 -4.96 105.19 109.09 1i9i n GLY 104 Ca 0.04 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1i9i n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i9i s LEU 105 N 0.00 3.26 0.25 0.99 1.43 -1.26 0.15 118.68 123.49 1i9i s LEU 105 Ca 0.00 -1.17 0.12 0.00 -1.03 0.00 0.00 54.13 52.05 1i9i s LEU 105 Cb 0.00 -2.57 0.17 0.00 0.03 0.00 0.00 46.19 43.82 1i9i s LEU 105 CO 0.00 -2.45 1.49 0.00 0.23 0.00 0.00 176.35 175.62 1i9i h ALA 106 N 10.38 0.71 -3.42 4.21 0.00 -1.69 -3.45 119.26 126.00 1i9i h ALA 106 Ca 0.17 -0.61 -0.48 0.00 0.00 0.00 0.00 54.91 54.00 1i9i h ALA 106 Cb 0.98 -0.11 -0.34 0.00 0.00 0.00 0.00 17.79 18.33 1i9i h ALA 106 CO 1.28 0.83 -0.80 0.71 0.00 0.00 0.00 179.25 181.27 1i9i s TYR 107 N -3.17 1.19 0.13 0.00 1.51 -1.12 -5.00 117.35 110.89 1i9i s TYR 107 Ca 0.01 -0.42 0.10 0.00 -1.01 0.00 0.00 57.07 55.74 1i9i s TYR 107 Cb 0.10 -0.93 -0.04 0.00 -0.11 0.00 0.00 41.96 40.99 1i9i s TYR 107 CO 0.76 -0.26 -0.23 -1.58 -1.11 0.00 0.00 175.55 173.13 1i9i s TRP 108 N 0.82 2.05 0.31 2.71 0.52 -1.26 -1.40 118.94 122.69 1i9i s TRP 108 Ca -0.12 -0.40 -0.03 0.00 0.02 0.00 0.00 56.10 55.57 1i9i s TRP 108 Cb -0.15 -1.10 0.07 0.00 -1.15 0.00 0.00 33.47 31.14 1i9i s TRP 108 CO 0.02 0.30 0.42 0.41 0.02 0.00 0.00 176.95 178.12 1i9i n GLY 109 N 0.86 -0.13 0.09 0.98 0.00 -0.87 -4.71 105.19 101.40 1i9i n GLY 109 Ca -0.18 -1.86 0.13 0.00 0.00 0.00 0.00 46.02 44.12 1i9i n GLY 109 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i9i n GLN 110 N -1.84 0.27 0.00 1.61 3.00 -1.26 -4.88 117.38 114.28 1i9i n GLN 110 Ca 0.06 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 1i9i n GLN 110 Cb 0.22 -1.77 0.00 0.00 0.00 0.00 0.00 30.24 28.69 1i9i n GLN 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1i9i n GLY 111 N 1.32 -0.64 2.80 1.08 0.00 -1.26 -5.01 105.19 103.47 1i9i n GLY 111 Ca 0.05 -1.59 -0.20 0.00 0.00 0.00 0.00 46.02 44.28 1i9i n GLY 111 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i9i s THR 112 N -3.05 0.26 -0.28 2.61 -1.32 -0.52 -4.79 115.64 108.55 1i9i s THR 112 Ca 0.00 0.11 -0.29 0.00 -1.21 0.00 0.00 61.69 60.30 1i9i s THR 112 Cb 0.00 -0.39 -0.00 0.00 -1.51 0.00 0.00 72.50 70.60 1i9i s THR 112 CO 0.00 0.20 1.28 -0.22 -2.21 0.00 0.00 174.62 173.67 1i9i s LEU 113 N 1.47 3.93 -0.26 9.08 2.96 -1.26 -1.91 118.68 132.69 1i9i s LEU 113 Ca -0.03 1.28 -0.09 0.00 -0.22 0.00 0.00 54.13 55.07 1i9i s LEU 113 Cb -0.13 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 1i9i s LEU 113 CO -0.03 -1.01 0.11 -0.69 -1.32 0.00 0.00 176.35 173.41 1i9i s VAL 114 N 4.18 4.62 -0.14 1.68 1.01 0.04 -1.45 120.40 130.34 1i9i s VAL 114 Ca 0.55 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.45 1i9i s VAL 114 Cb -0.17 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 1i9i s VAL 114 CO 0.21 0.30 -0.13 -0.89 0.00 0.00 0.00 175.10 174.59 1i9i s THR 115 N 1.66 2.92 -0.32 3.92 2.01 -0.35 -1.60 115.64 123.89 1i9i s THR 115 Ca 0.06 -0.69 -0.06 0.00 0.31 0.00 0.00 61.69 61.31 1i9i s THR 115 Cb -0.15 -2.24 0.03 0.00 0.01 0.00 0.00 72.50 70.15 1i9i s THR 115 CO 0.06 0.51 0.08 -0.69 -0.69 0.00 0.00 174.62 173.89 1i9i s VAL 116 N 0.59 3.75 0.07 3.82 1.01 -1.26 0.12 120.40 128.51 1i9i s VAL 116 Ca -0.08 -0.98 -0.26 0.00 0.00 0.00 0.00 61.98 60.65 1i9i s VAL 116 Cb -0.16 -3.05 0.09 0.00 0.00 0.00 0.00 36.38 33.26 1i9i s VAL 116 CO 0.03 -0.06 0.78 -0.55 0.00 0.00 0.00 175.10 175.30 1i9i s SER 117 N 1.43 -0.43 0.23 3.32 0.15 -0.16 -4.53 113.70 113.69 1i9i s SER 117 Ca -0.00 -0.03 0.23 0.00 0.70 0.00 0.00 55.95 56.85 1i9i s SER 117 Cb -0.19 0.48 0.13 0.00 -1.71 0.00 0.00 66.02 64.74 1i9i s SER 117 CO 0.02 -0.79 1.21 0.00 1.20 0.00 0.00 173.24 174.88 1i9i h ALA 118 N 2.00 0.61 -2.54 5.45 0.00 -1.96 -3.35 119.26 119.47 1i9i h ALA 118 Ca -0.27 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.08 1i9i h ALA 118 Cb 1.27 0.00 0.18 0.00 0.00 0.00 0.00 17.79 19.24 1i9i h ALA 118 CO 0.33 0.00 -0.25 0.00 0.00 0.00 0.00 179.25 179.33 1i9i n ALA 119 N -2.10 -1.05 -2.57 0.00 0.00 -1.26 -4.99 120.51 108.54 1i9i n ALA 119 Ca 0.01 -0.18 -0.33 0.00 0.00 0.00 0.00 53.44 52.95 1i9i n ALA 119 Cb 0.52 -1.92 -0.05 0.00 0.00 0.00 0.00 19.45 18.00 1i9i n ALA 119 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1i9i s LYS 120 N -2.77 3.72 0.21 0.00 3.01 -1.26 -5.05 119.74 117.60 1i9i s LYS 120 Ca 0.69 0.11 -0.31 0.00 -1.01 0.00 0.00 55.97 55.44 1i9i s LYS 120 Cb -0.37 -2.86 -0.11 0.00 -1.01 0.00 0.00 37.83 33.48 1i9i s LYS 120 CO 0.55 0.47 1.60 0.99 0.51 0.00 0.00 175.35 179.46 1i9i s THR 121 N -1.59 2.39 -0.05 2.17 2.01 -1.26 -4.75 115.64 114.55 1i9i s THR 121 Ca 0.39 0.29 -0.02 0.00 0.31 0.00 0.00 61.69 62.66 1i9i s THR 121 Cb -0.13 -3.19 0.04 0.00 0.01 0.00 0.00 72.50 69.23 1i9i s THR 121 CO 0.21 0.03 0.10 -0.89 -0.69 0.00 0.00 174.62 173.38 1i9i s THR 122 N 0.83 -0.10 0.45 -0.82 2.01 0.62 -4.94 115.64 113.68 1i9i s THR 122 Ca 0.69 0.25 -0.23 0.00 0.31 0.00 0.00 61.69 62.71 1i9i s THR 122 Cb -0.46 -0.19 -0.08 0.00 0.01 0.00 0.00 72.50 71.79 1i9i s THR 122 CO 0.35 0.11 1.14 -2.84 -0.69 0.00 0.00 174.62 172.69 1i9i s PRO 123 N 1.46 3.85 0.43 4.92 0.02 -1.26 -0.68 135.00 143.75 1i9i s PRO 123 Ca -0.05 1.72 -0.16 0.00 0.02 0.00 0.00 61.00 62.53 1i9i s PRO 123 Cb -0.12 -2.44 -0.09 0.00 0.02 0.00 0.00 34.50 31.87 1i9i s PRO 123 CO -0.05 -0.46 0.88 -1.25 -0.33 0.00 0.00 177.00 175.79 1i9i s PRO 124 N -2.65 4.00 -0.23 5.54 0.04 -1.26 -4.44 135.00 135.99 1i9i s PRO 124 Ca 0.62 0.84 -0.08 0.00 0.04 0.00 0.00 61.00 62.42 1i9i s PRO 124 Cb -0.27 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 1i9i s PRO 124 CO 0.33 -0.08 0.10 -1.12 0.04 0.00 0.00 177.00 176.28 1i9i s SER 125 N -2.70 5.56 -0.29 6.66 0.01 -0.65 -4.92 113.70 117.36 1i9i s SER 125 Ca 0.57 -0.05 -0.11 0.00 1.31 0.00 0.00 55.95 57.67 1i9i s SER 125 Cb -0.10 -1.99 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 1i9i s SER 125 CO 0.24 0.04 0.20 -0.69 0.41 0.00 0.00 173.24 173.44 1i9i s VAL 126 N 1.18 5.30 -0.09 3.43 1.01 -1.26 -2.25 120.40 127.72 1i9i s VAL 126 Ca 0.05 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1i9i s VAL 126 Cb -0.14 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 1i9i s VAL 126 CO 0.04 0.19 -0.16 -0.31 0.00 0.00 0.00 175.10 174.86 1i9i s TYR 127 N 1.76 2.69 0.50 5.22 2.02 0.12 -4.97 117.35 124.70 1i9i s TYR 127 Ca 0.07 -0.53 -0.21 0.00 -0.37 0.00 0.00 57.07 56.03 1i9i s TYR 127 Cb -0.16 -1.72 -0.07 0.00 -0.40 0.00 0.00 41.96 39.61 1i9i s TYR 127 CO 0.11 -0.10 1.12 -2.14 -1.57 0.00 0.00 175.55 172.97 1i9i s PRO 128 N -0.09 3.58 -0.43 -1.71 0.02 -1.26 -0.46 135.00 134.65 1i9i s PRO 128 Ca -0.03 1.60 0.03 0.00 0.02 0.00 0.00 61.00 62.62 1i9i s PRO 128 Cb -0.14 -2.15 0.12 0.00 0.02 0.00 0.00 34.50 32.35 1i9i s PRO 128 CO 0.04 -0.66 0.20 -0.51 -0.33 0.00 0.00 177.00 175.73 1i9i s LEU 129 N -3.49 3.56 0.14 -5.54 1.43 0.27 -4.80 118.68 110.25 1i9i s LEU 129 Ca 0.69 -2.56 0.09 0.00 -1.03 0.00 0.00 54.13 51.32 1i9i s LEU 129 Cb -0.24 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 1i9i s LEU 129 CO 0.28 -0.29 -0.17 0.00 0.23 0.00 0.00 176.35 176.39 1i9i s ALA 130 N 0.38 2.71 -0.23 4.21 0.00 -1.26 -1.52 121.76 126.04 1i9i s ALA 130 Ca 0.15 -1.43 -0.32 0.00 0.00 0.00 0.00 51.96 50.37 1i9i s ALA 130 Cb -0.23 -0.61 -0.08 0.00 0.00 0.00 0.00 23.12 22.19 1i9i s ALA 130 CO -0.04 0.54 2.15 -2.30 0.00 0.00 0.00 175.76 176.11 1i9i n PRO 131 N 0.55 1.73 0.23 0.00 -0.02 -1.26 -4.80 135.00 131.43 1i9i n PRO 131 Ca -0.14 0.51 0.16 0.00 -2.02 0.00 0.00 63.50 62.01 1i9i n PRO 131 Cb 0.54 -2.88 0.69 0.00 -0.02 0.00 0.00 33.50 31.83 1i9i n PRO 131 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1i9i h GLY 132 N 13.13 0.00 0.00 -1.23 0.00 -1.98 -3.35 103.07 109.64 1i9i h GLY 132 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1i9i h GLY 132 CO 0.98 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.96 1i9i n SER 133 N -2.77 0.00 0.00 0.19 7.64 -1.26 -4.84 113.62 112.58 1i9i n SER 133 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1i9i n SER 133 Cb 0.23 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1i9i n SER 133 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i9i n ALA 134 N -3.00 0.00 0.08 -0.43 0.00 -1.26 -5.03 120.51 110.87 1i9i n ALA 134 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1i9i n ALA 134 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1i9i n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i9i h ALA 135 N 0.00 0.49 0.00 0.00 0.00 -2.02 -3.43 119.26 114.31 1i9i h ALA 135 Ca 0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 54.91 54.00 1i9i h ALA 135 Cb 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 17.55 1i9i h ALA 135 CO 0.00 1.08 -0.03 0.94 0.00 0.00 0.00 179.25 181.24 1i9i n GLN 136 N -3.51 0.23 -3.18 0.00 7.27 -1.26 -5.16 117.38 111.78 1i9i n GLN 136 Ca -0.01 -0.84 -0.38 0.00 0.07 0.00 0.00 57.00 55.83 1i9i n GLN 136 Cb 0.86 -0.31 -0.06 0.00 2.41 0.00 0.00 30.24 33.14 1i9i n GLN 136 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1i9i s THR 137 N 0.11 4.63 0.00 1.69 -4.23 -1.26 -5.09 115.64 111.49 1i9i s THR 137 Ca 0.23 1.31 0.00 0.00 -1.18 0.00 0.00 61.69 62.05 1i9i s THR 137 Cb 0.26 -3.93 0.00 0.00 1.34 0.00 0.00 72.50 70.17 1i9i s THR 137 CO -0.15 0.45 0.00 -0.46 -0.54 0.00 0.00 174.62 173.92 1i9i n ASN 138 N 1.40 0.00 0.00 3.99 6.94 -1.26 -4.91 115.26 121.43 1i9i n ASN 138 Ca -0.07 0.00 0.01 0.00 -0.02 0.00 0.00 54.58 54.50 1i9i n ASN 138 Cb 0.50 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 37.98 1i9i n ASN 138 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1i9i n SER 139 N 0.00 0.00 -3.95 0.53 3.41 -1.26 -4.58 113.62 107.77 1i9i n SER 139 Ca 0.00 -1.58 -0.17 0.00 -0.26 0.00 0.00 58.87 56.85 1i9i n SER 139 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 1i9i n SER 139 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1i9i s MET 140 N -2.00 0.59 -0.01 4.33 -1.94 -1.26 -1.13 119.30 117.88 1i9i s MET 140 Ca 0.03 -0.19 0.05 0.00 -1.71 0.00 0.00 55.69 53.87 1i9i s MET 140 Cb 0.01 -0.58 -0.01 0.00 2.01 0.00 0.00 34.83 36.26 1i9i s MET 140 CO 0.02 0.08 -0.16 0.08 -0.01 0.00 0.00 175.02 175.03 1i9i s VAL 141 N 0.13 1.29 -0.18 -6.03 1.01 -0.49 -4.70 120.40 111.44 1i9i s VAL 141 Ca -0.01 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 1i9i s VAL 141 Cb -0.06 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 1i9i s VAL 141 CO -0.00 0.36 -0.03 -0.89 0.00 0.00 0.00 175.10 174.54 1i9i s THR 142 N -0.35 3.82 0.37 3.92 2.01 -1.26 -2.22 115.64 121.92 1i9i s THR 142 Ca 0.06 -0.37 0.07 0.00 0.31 0.00 0.00 61.69 61.76 1i9i s THR 142 Cb -0.07 -2.70 -0.07 0.00 0.01 0.00 0.00 72.50 69.68 1i9i s THR 142 CO -0.00 0.46 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.61 1i9i s LEU 143 N 0.73 2.72 0.24 4.42 1.43 -0.45 -4.61 118.68 123.15 1i9i s LEU 143 Ca -0.01 -1.32 -0.20 0.00 -1.03 0.00 0.00 54.13 51.57 1i9i s LEU 143 Cb -0.14 -0.83 0.07 0.00 0.03 0.00 0.00 46.19 45.32 1i9i s LEU 143 CO 0.02 -0.40 0.98 -0.83 0.23 0.00 0.00 176.35 176.35 1i9i s GLY 144 N -3.63 0.21 -0.03 -3.19 0.00 -0.58 -0.29 107.32 99.81 1i9i s GLY 144 Ca 0.34 -0.49 -0.00 0.00 0.00 0.00 0.00 44.72 44.57 1i9i s GLY 144 CO 0.17 2.01 0.02 0.00 0.00 0.00 0.00 173.10 175.29 1i9i s LEU 146 N 1.27 4.20 -0.39 0.00 2.96 0.39 -2.29 118.68 124.83 1i9i s LEU 146 Ca -0.06 0.58 0.04 0.00 -0.22 0.00 0.00 54.13 54.46 1i9i s LEU 146 Cb -0.13 -2.52 0.11 0.00 0.50 0.00 0.00 46.19 44.15 1i9i s LEU 146 CO -0.03 -0.02 0.11 -0.69 -1.32 0.00 0.00 176.35 174.41 1i9i s VAL 147 N 0.97 2.30 0.34 1.68 1.01 0.91 -0.70 120.40 126.91 1i9i s VAL 147 Ca 0.20 -2.59 0.08 0.00 0.00 0.00 0.00 61.98 59.67 1i9i s VAL 147 Cb -0.14 -2.67 -0.06 0.00 0.00 0.00 0.00 36.38 33.50 1i9i s VAL 147 CO 0.07 -0.66 -0.07 -1.59 0.00 0.00 0.00 175.10 172.85 1i9i s LYS 148 N 0.59 1.76 -1.09 2.72 -2.85 -0.96 -0.61 119.74 119.30 1i9i s LYS 148 Ca 0.13 -1.92 -0.09 0.00 -1.00 0.00 0.00 55.97 53.09 1i9i s LYS 148 Cb -0.21 -1.54 -0.05 0.00 -2.06 0.00 0.00 37.83 33.97 1i9i s LYS 148 CO -0.06 0.09 0.89 0.41 0.10 0.00 0.00 175.35 176.77 1i9i n GLY 149 N -0.76 -1.02 3.34 0.59 0.00 -0.63 -1.64 105.19 105.06 1i9i n GLY 149 Ca -0.05 0.50 -0.17 0.00 0.00 0.00 0.00 46.02 46.29 1i9i n GLY 149 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i9i s TYR 150 N -3.42 1.60 -0.26 1.61 1.13 -0.95 -4.31 117.35 112.74 1i9i s TYR 150 Ca 0.41 -0.84 -0.26 0.00 -1.41 0.00 0.00 57.07 54.97 1i9i s TYR 150 Cb -0.08 -0.90 0.13 0.00 -1.10 0.00 0.00 41.96 40.01 1i9i s TYR 150 CO 0.77 0.06 1.05 0.12 -2.51 0.00 0.00 175.55 175.03 1i9i s PHE 151 N -3.31 -0.44 0.00 -3.49 5.36 0.15 -0.72 117.98 115.53 1i9i s PHE 151 Ca 0.27 1.02 0.00 0.00 -0.96 0.00 0.00 56.93 57.26 1i9i s PHE 151 Cb 0.05 0.38 0.00 0.00 -0.34 0.00 0.00 43.02 43.11 1i9i s PHE 151 CO 0.08 -0.24 0.00 -0.35 -1.46 0.00 0.00 175.22 173.25 1i9i n PRO 152 N 1.94 1.16 -1.74 10.12 -0.04 -1.26 -0.28 135.00 144.90 1i9i n PRO 152 Ca -0.12 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.04 1i9i n PRO 152 Cb 0.56 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.10 1i9i n PRO 152 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1i9i s GLU 153 N -1.07 2.28 0.33 0.54 0.41 -1.26 -4.83 118.70 115.10 1i9i s GLU 153 Ca 0.00 0.44 0.01 0.00 -0.41 0.00 0.00 54.97 55.01 1i9i s GLU 153 Cb 0.00 -1.96 0.06 0.00 -1.78 0.00 0.00 34.13 30.46 1i9i s GLU 153 CO 0.00 -1.44 0.45 -0.35 -0.49 0.00 0.00 175.26 173.43 1i9i n PRO 154 N -3.28 0.40 -3.82 0.39 -0.04 -1.26 -4.93 135.00 122.45 1i9i n PRO 154 Ca 0.07 -1.33 -0.12 0.00 -0.04 0.00 0.00 63.50 62.09 1i9i n PRO 154 Cb 0.58 -0.27 -0.09 0.00 -0.04 0.00 0.00 33.50 33.68 1i9i n PRO 154 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1i9i s VAL 155 N -1.19 0.08 -0.04 0.52 1.01 -1.26 -4.58 120.40 114.94 1i9i s VAL 155 Ca 0.31 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1i9i s VAL 155 Cb -0.02 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1i9i s VAL 155 CO 0.20 -0.36 -0.20 -0.89 0.00 0.00 0.00 175.10 173.86 1i9i s THR 156 N -1.62 1.60 0.06 3.92 2.01 0.19 -4.98 115.64 116.82 1i9i s THR 156 Ca -0.12 -0.83 0.06 0.00 0.31 0.00 0.00 61.69 61.11 1i9i s THR 156 Cb -0.05 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 1i9i s THR 156 CO 0.01 0.46 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.54 1i9i s VAL 157 N -0.11 1.35 0.16 3.82 1.01 -1.26 -1.16 120.40 124.20 1i9i s VAL 157 Ca -0.01 -1.19 -0.21 0.00 0.00 0.00 0.00 61.98 60.57 1i9i s VAL 157 Cb -0.11 -1.22 0.06 0.00 0.00 0.00 0.00 36.38 35.10 1i9i s VAL 157 CO 0.02 0.01 0.55 -0.89 0.00 0.00 0.00 175.10 174.79 1i9i s THR 158 N -0.96 0.02 -0.09 3.92 2.01 -1.10 -4.97 115.64 114.47 1i9i s THR 158 Ca 0.03 -0.21 0.04 0.00 0.31 0.00 0.00 61.69 61.87 1i9i s THR 158 Cb -0.09 -1.10 -0.00 0.00 0.01 0.00 0.00 72.50 71.32 1i9i s THR 158 CO 0.02 -0.09 -0.24 0.26 -0.69 0.00 0.00 174.62 173.88 1i9i s TRP 159 N -3.77 2.54 -1.09 4.92 0.52 -1.26 -0.33 118.94 120.47 1i9i s TRP 159 Ca 0.02 -1.01 0.00 0.00 0.02 0.00 0.00 56.10 55.14 1i9i s TRP 159 Cb -0.00 -1.69 0.00 0.00 -1.15 0.00 0.00 33.47 30.62 1i9i s TRP 159 CO -0.12 -0.39 0.00 0.09 0.02 0.00 0.00 176.95 176.55 1i9i n ASN 160 N 3.44 -3.78 -3.11 2.95 3.02 0.51 -1.53 115.26 116.75 1i9i n ASN 160 Ca -0.19 0.22 -0.18 0.00 -0.03 0.00 0.00 54.58 54.39 1i9i n ASN 160 Cb 0.53 -3.27 0.07 0.00 -0.61 0.00 0.00 39.78 36.50 1i9i n ASN 160 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1i9i n SER 161 N -1.56 -4.49 0.00 6.41 7.64 -1.26 -3.22 113.62 117.15 1i9i n SER 161 Ca -0.14 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.26 1i9i n SER 161 Cb 0.57 -4.39 0.00 0.00 -1.01 0.00 0.00 64.21 59.38 1i9i n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i9i n GLY 162 N -1.56 2.50 0.23 0.23 0.00 -0.58 -4.93 105.19 101.07 1i9i n GLY 162 Ca -0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 1i9i n GLY 162 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1i9i h SER 163 N 0.52 -0.46 -2.44 1.61 0.02 -1.51 -3.11 113.55 108.19 1i9i h SER 163 Ca 0.00 0.17 -0.75 0.00 -0.84 0.00 0.00 61.79 60.37 1i9i h SER 163 Cb 0.00 0.33 -0.19 0.00 0.14 0.00 0.00 62.40 62.68 1i9i h SER 163 CO 0.00 -0.17 1.16 -0.76 -1.14 0.00 0.00 176.83 175.92 1i9i s LEU 164 N -10.77 5.29 -0.17 5.07 1.02 -0.99 -4.77 118.68 113.36 1i9i s LEU 164 Ca -0.14 -3.03 -0.18 0.00 0.02 0.00 0.00 54.13 50.80 1i9i s LEU 164 Cb 0.18 -2.37 -0.22 0.00 0.02 0.00 0.00 46.19 43.80 1i9i s LEU 164 CO 0.73 -0.69 0.35 0.77 0.02 0.00 0.00 176.35 177.53 1i9i h SER 165 N 7.19 0.15 -3.96 2.29 4.64 -1.83 -3.39 113.55 118.64 1i9i h SER 165 Ca 0.28 -0.69 -0.47 0.00 -0.47 0.00 0.00 61.79 60.45 1i9i h SER 165 Cb 0.88 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.91 1i9i h SER 165 CO 1.19 1.55 0.26 -0.55 -0.87 0.00 0.00 176.83 178.41 1i9i s SER 166 N -6.88 6.80 -0.40 4.97 0.15 -1.26 -4.08 113.70 112.99 1i9i s SER 166 Ca -0.25 1.50 -0.01 0.00 0.70 0.00 0.00 55.95 57.89 1i9i s SER 166 Cb 0.05 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1i9i s SER 166 CO 0.66 -0.36 0.19 0.61 1.20 0.00 0.00 173.24 175.54 1i9i n GLY 167 N -0.79 0.40 3.18 9.45 0.00 -1.26 -4.77 105.19 111.40 1i9i n GLY 167 Ca 0.06 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 1i9i n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i9i s VAL 168 N -2.77 1.68 -0.24 1.61 1.01 -1.26 -0.77 120.40 119.66 1i9i s VAL 168 Ca 0.10 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1i9i s VAL 168 Cb -0.04 -1.43 0.06 0.00 0.00 0.00 0.00 36.38 34.97 1i9i s VAL 168 CO 0.12 0.47 -0.05 -1.00 0.00 0.00 0.00 175.10 174.64 1i9i s HIS 169 N 0.00 2.49 -0.36 5.22 3.76 0.66 -4.97 115.29 122.09 1i9i s HIS 169 Ca -0.05 -1.84 -0.06 0.00 -0.15 0.00 0.00 55.06 52.96 1i9i s HIS 169 Cb -0.13 -1.66 0.06 0.00 1.11 0.00 0.00 32.58 31.96 1i9i s HIS 169 CO 0.03 -0.79 0.14 0.99 -0.85 0.00 0.00 174.74 174.26 1i9i s THR 170 N 1.36 3.78 0.35 1.30 2.01 -1.26 0.33 115.64 123.51 1i9i s THR 170 Ca -0.05 -1.31 -0.27 0.00 0.31 0.00 0.00 61.69 60.38 1i9i s THR 170 Cb -0.19 -3.23 -0.09 0.00 0.01 0.00 0.00 72.50 69.00 1i9i s THR 170 CO -0.07 -0.30 1.13 -0.36 -0.69 0.00 0.00 174.62 174.33 1i9i s PHE 171 N 1.37 3.29 0.39 4.92 0.08 -0.66 -4.99 117.98 122.38 1i9i s PHE 171 Ca 0.00 1.61 -0.27 0.00 0.12 0.00 0.00 56.93 58.40 1i9i s PHE 171 Cb -0.21 -3.32 -0.11 0.00 -0.57 0.00 0.00 43.02 38.81 1i9i s PHE 171 CO 0.02 -0.94 1.38 -2.30 -0.10 0.00 0.00 175.22 173.28 1i9i n PRO 172 N 0.51 2.30 -2.27 0.24 -0.02 -1.26 -4.32 135.00 130.19 1i9i n PRO 172 Ca 0.02 0.81 -0.41 0.00 -2.02 0.00 0.00 63.50 61.90 1i9i n PRO 172 Cb 0.46 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 1i9i n PRO 172 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i9i s ALA 173 N -1.14 3.49 -0.12 3.55 0.00 -1.26 -4.87 121.76 121.41 1i9i s ALA 173 Ca 0.57 1.06 -0.03 0.00 0.00 0.00 0.00 51.96 53.55 1i9i s ALA 173 Cb -0.50 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.13 1i9i s ALA 173 CO 0.61 -0.48 0.01 0.08 0.00 0.00 0.00 175.76 175.99 1i9i s VAL 174 N -0.04 4.39 0.10 0.00 1.01 -0.83 -4.88 120.40 120.16 1i9i s VAL 174 Ca 0.55 -0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.20 1i9i s VAL 174 Cb -0.35 -2.89 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 1i9i s VAL 174 CO 0.38 0.56 0.47 -0.22 0.00 0.00 0.00 175.10 176.30 1i9i s LEU 175 N -0.45 4.36 -0.30 3.92 2.96 -1.26 -1.54 118.68 126.36 1i9i s LEU 175 Ca 0.08 0.94 -0.05 0.00 -0.22 0.00 0.00 54.13 54.89 1i9i s LEU 175 Cb -0.12 -3.06 0.16 0.00 0.50 0.00 0.00 46.19 43.67 1i9i s LEU 175 CO 0.02 0.16 0.63 -1.58 -1.32 0.00 0.00 176.35 174.26 1i9i s GLN 176 N -1.83 0.57 -0.92 1.98 0.74 -0.31 -4.95 119.66 114.94 1i9i s GLN 176 Ca 0.34 1.18 -0.06 0.00 0.05 0.00 0.00 55.36 56.87 1i9i s GLN 176 Cb -0.15 0.68 -0.02 0.00 1.10 0.00 0.00 33.01 34.63 1i9i s GLN 176 CO 0.18 -0.44 0.76 0.43 -0.55 0.00 0.00 175.29 175.68 1i9i n SER 177 N 5.43 -6.54 -2.40 6.67 7.64 -1.26 -2.14 113.62 121.02 1i9i n SER 177 Ca -0.06 -0.57 -0.06 0.00 1.01 0.00 0.00 58.87 59.19 1i9i n SER 177 Cb 0.50 -4.31 -0.00 0.00 -1.01 0.00 0.00 64.21 59.38 1i9i n SER 177 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1i9i n ASP 178 N -2.44 -2.36 -3.72 6.43 8.00 -1.26 -4.92 116.55 116.28 1i9i n ASP 178 Ca -0.08 0.34 -0.15 0.00 0.71 0.00 0.00 54.79 55.60 1i9i n ASP 178 Cb 0.58 -2.10 -0.15 0.00 -0.02 0.00 0.00 41.12 39.42 1i9i n ASP 178 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1i9i s LEU 179 N -5.16 0.51 0.36 0.64 1.43 -0.91 -4.80 118.68 110.76 1i9i s LEU 179 Ca 0.00 0.23 -0.13 0.00 -1.03 0.00 0.00 54.13 53.20 1i9i s LEU 179 Cb 0.00 0.20 -0.08 0.00 0.03 0.00 0.00 46.19 46.34 1i9i s LEU 179 CO 0.00 -0.18 0.75 -0.31 0.23 0.00 0.00 176.35 176.83 1i9i s TYR 180 N 1.56 3.42 -0.05 0.29 2.02 0.10 -1.16 117.35 123.53 1i9i s TYR 180 Ca -0.04 1.13 -0.04 0.00 -0.37 0.00 0.00 57.07 57.75 1i9i s TYR 180 Cb -0.12 -2.49 0.02 0.00 -0.40 0.00 0.00 41.96 38.97 1i9i s TYR 180 CO -0.05 0.01 0.12 0.99 -1.57 0.00 0.00 175.55 175.05 1i9i s THR 181 N -2.16 -0.01 0.08 -0.71 2.01 -0.59 -1.61 115.64 112.66 1i9i s THR 181 Ca 0.53 0.04 -0.12 0.00 0.31 0.00 0.00 61.69 62.45 1i9i s THR 181 Cb -0.10 -0.18 0.01 0.00 0.01 0.00 0.00 72.50 72.24 1i9i s THR 181 CO 0.24 0.02 0.27 -0.22 -0.69 0.00 0.00 174.62 174.24 1i9i s LEU 182 N 0.30 1.02 0.28 4.42 0.20 0.21 -1.97 118.68 123.14 1i9i s LEU 182 Ca -0.02 -0.43 0.04 0.00 0.69 0.00 0.00 54.13 54.41 1i9i s LEU 182 Cb -0.03 1.32 -0.06 0.00 -0.43 0.00 0.00 46.19 46.99 1i9i s LEU 182 CO -0.01 -0.72 0.02 -0.44 -0.29 0.00 0.00 176.35 174.90 1i9i s SER 183 N -2.61 2.17 -0.19 3.68 0.01 -1.26 -0.06 113.70 115.44 1i9i s SER 183 Ca 0.01 -1.28 -0.09 0.00 1.31 0.00 0.00 55.95 55.90 1i9i s SER 183 Cb 0.02 -0.05 0.08 0.00 0.21 0.00 0.00 66.02 66.28 1i9i s SER 183 CO -0.09 -0.53 0.43 -0.55 0.41 0.00 0.00 173.24 172.91 1i9i s SER 184 N -3.40 -0.43 0.08 2.44 0.15 -0.97 -1.66 113.70 109.92 1i9i s SER 184 Ca 0.32 0.99 0.05 0.00 0.70 0.00 0.00 55.95 58.01 1i9i s SER 184 Cb 0.07 1.11 -0.04 0.00 -1.71 0.00 0.00 66.02 65.45 1i9i s SER 184 CO 0.12 -0.21 -0.02 -0.94 1.20 0.00 0.00 173.24 173.39 1i9i s SER 185 N 2.02 4.92 -0.04 5.45 1.04 0.15 -1.27 113.70 125.97 1i9i s SER 185 Ca -0.06 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.18 1i9i s SER 185 Cb -0.10 -1.14 0.02 0.00 0.10 0.00 0.00 66.02 64.90 1i9i s SER 185 CO -0.13 0.18 -0.02 0.54 0.98 0.00 0.00 173.24 174.79 1i9i s VAL 186 N -1.27 0.34 -0.19 5.02 0.11 0.60 -0.25 120.40 124.77 1i9i s VAL 186 Ca 0.24 -0.01 -0.00 0.00 -2.93 0.00 0.00 61.98 59.28 1i9i s VAL 186 Cb -0.12 -0.41 0.01 0.00 -1.53 0.00 0.00 36.38 34.34 1i9i s VAL 186 CO 0.17 0.18 -0.15 -0.89 -3.33 0.00 0.00 175.10 171.08 1i9i s THR 187 N 0.99 2.49 0.27 5.04 2.01 0.05 -1.34 115.64 125.15 1i9i s THR 187 Ca -0.10 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.14 1i9i s THR 187 Cb -0.14 -2.08 -0.06 0.00 0.01 0.00 0.00 72.50 70.24 1i9i s THR 187 CO -0.01 0.51 0.02 0.68 -0.69 0.00 0.00 174.62 175.12 1i9i s VAL 188 N 1.27 1.12 0.02 3.82 -7.23 -0.94 -4.72 120.40 113.74 1i9i s VAL 188 Ca 0.04 -2.03 -0.32 0.00 -1.81 0.00 0.00 61.98 57.85 1i9i s VAL 188 Cb -0.14 -2.51 -0.11 0.00 0.56 0.00 0.00 36.38 34.18 1i9i s VAL 188 CO -0.08 -0.20 1.88 -2.65 -0.31 0.00 0.00 175.10 173.74 1i9i n PRO 189 N -0.52 2.55 0.07 4.82 -0.02 -1.26 -1.39 135.00 139.25 1i9i n PRO 189 Ca -0.04 0.93 0.20 0.00 -2.02 0.00 0.00 63.50 62.58 1i9i n PRO 189 Cb 0.65 -2.82 0.65 0.00 -0.02 0.00 0.00 33.50 31.95 1i9i n PRO 189 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1i9i h SER 190 N 9.29 0.00 0.44 2.55 0.87 -1.37 0.14 113.55 125.47 1i9i h SER 190 Ca -0.48 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 59.88 1i9i h SER 190 Cb 1.25 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.20 1i9i h SER 190 CO 0.94 0.00 -0.83 0.77 -0.53 0.00 0.00 176.83 177.18 1i9i h SER 191 N 0.00 0.36 -0.59 6.23 4.64 -1.89 -3.26 113.55 119.05 1i9i h SER 191 Ca 0.23 -0.27 -0.34 0.00 -0.47 0.00 0.00 61.79 60.93 1i9i h SER 191 Cb 1.51 -0.11 -0.13 0.00 -0.31 0.00 0.00 62.40 63.35 1i9i h SER 191 CO -0.00 1.04 0.25 0.35 -0.87 0.00 0.00 176.83 177.61 1i9i n THR 192 N -3.74 2.95 0.00 2.95 -2.24 0.47 -4.46 114.28 110.21 1i9i n THR 192 Ca -0.04 -2.04 0.00 0.00 -2.27 0.00 0.00 64.05 59.69 1i9i n THR 192 Cb 0.77 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 1i9i n THR 192 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1i9i n TRP 193 N 0.96 0.00 0.41 4.78 -0.00 -1.23 -3.23 117.44 119.14 1i9i n TRP 193 Ca 0.36 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.90 1i9i n TRP 193 Cb 0.61 0.00 0.21 0.00 -0.00 0.00 0.00 31.31 32.13 1i9i n TRP 193 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 1i9i n PRO 194 N -0.03 0.16 -0.33 5.87 -0.02 -1.26 -4.89 135.00 134.50 1i9i n PRO 194 Ca 0.00 0.13 -0.07 0.00 -2.02 0.00 0.00 63.50 61.54 1i9i n PRO 194 Cb 0.00 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.92 1i9i n PRO 194 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1i9i n SER 195 N -1.18 -0.78 -4.94 2.55 2.88 -1.26 -4.39 113.62 106.50 1i9i n SER 195 Ca 0.05 1.41 -0.24 0.00 -1.33 0.00 0.00 58.87 58.76 1i9i n SER 195 Cb 0.05 -0.21 -0.03 0.00 -0.75 0.00 0.00 64.21 63.27 1i9i n SER 195 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1i9i s GLU 196 N -5.47 3.39 -0.13 -1.46 0.41 -1.20 -5.08 118.70 109.17 1i9i s GLU 196 Ca -0.10 -0.70 -0.20 0.00 -0.41 0.00 0.00 54.97 53.56 1i9i s GLU 196 Cb 0.10 -2.90 -0.04 0.00 -1.78 0.00 0.00 34.13 29.51 1i9i s GLU 196 CO 0.51 0.48 0.57 0.99 -0.49 0.00 0.00 175.26 177.31 1i9i s THR 197 N -1.86 5.11 -0.20 3.63 2.01 -1.26 -4.55 115.64 118.51 1i9i s THR 197 Ca 0.34 1.13 -0.03 0.00 0.31 0.00 0.00 61.69 63.44 1i9i s THR 197 Cb -0.10 -3.90 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 1i9i s THR 197 CO 0.28 0.25 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.71 1i9i s VAL 198 N 1.01 3.28 -0.00 3.82 1.01 -1.26 -4.95 120.40 123.30 1i9i s VAL 198 Ca 0.29 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1i9i s VAL 198 Cb -0.16 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 1i9i s VAL 198 CO 0.12 0.44 -0.07 -0.89 0.00 0.00 0.00 175.10 174.71 1i9i s THR 199 N 1.29 0.53 -0.14 3.92 2.01 -1.26 -1.65 115.64 120.34 1i9i s THR 199 Ca 0.03 -0.33 -0.06 0.00 0.31 0.00 0.00 61.69 61.65 1i9i s THR 199 Cb -0.14 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 1i9i s THR 199 CO -0.03 0.12 0.05 0.00 -0.69 0.00 0.00 174.62 174.08 1i9i s ASN 201 N -0.21 4.85 0.09 0.00 2.20 0.55 -1.79 114.94 120.63 1i9i s ASN 201 Ca 0.07 -1.44 -0.08 0.00 -0.94 0.00 0.00 52.86 50.47 1i9i s ASN 201 Cb -0.12 -1.69 -0.06 0.00 -2.00 0.00 0.00 41.25 37.38 1i9i s ASN 201 CO 0.01 -0.29 0.39 -0.69 -2.94 0.00 0.00 177.10 173.58 1i9i s VAL 202 N 1.19 5.13 -0.00 3.54 1.01 0.45 -2.70 120.40 129.02 1i9i s VAL 202 Ca -0.03 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 1i9i s VAL 202 Cb -0.20 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 1i9i s VAL 202 CO -0.03 0.24 0.02 0.00 0.00 0.00 0.00 175.10 175.33 1i9i s ALA 203 N -1.45 -0.03 -0.41 5.51 0.00 -0.31 -0.74 121.76 124.33 1i9i s ALA 203 Ca 0.34 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.30 1i9i s ALA 203 Cb -0.13 -0.01 0.16 0.00 0.00 0.00 0.00 23.12 23.14 1i9i s ALA 203 CO 0.19 -0.03 0.31 -1.58 0.00 0.00 0.00 175.76 174.65 1i9i s HIS 204 N -0.20 1.09 0.34 0.00 2.46 -0.44 -0.63 115.29 117.90 1i9i s HIS 204 Ca -0.02 -2.19 0.20 0.00 0.47 0.00 0.00 55.06 53.52 1i9i s HIS 204 Cb -0.01 -0.99 1.22 0.00 -0.13 0.00 0.00 32.58 32.67 1i9i s HIS 204 CO -0.00 -0.82 1.41 -2.30 -2.47 0.00 0.00 174.74 170.56 1i9i n PRO 205 N 3.13 -0.05 0.22 2.88 -0.02 -1.26 -1.06 135.00 138.83 1i9i n PRO 205 Ca 0.25 1.22 0.06 0.00 -2.02 0.00 0.00 63.50 63.01 1i9i n PRO 205 Cb 0.45 -2.22 0.55 0.00 -0.02 0.00 0.00 33.50 32.26 1i9i n PRO 205 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i9i h ALA 206 N 1.76 1.82 -0.27 3.55 0.00 -1.91 -2.28 119.26 121.93 1i9i h ALA 206 Ca 0.76 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.59 1i9i h ALA 206 Cb 2.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1i9i h ALA 206 CO -0.66 0.13 0.00 -1.13 0.00 0.00 0.00 179.25 177.59 1i9i n SER 207 N -4.43 3.31 -2.27 0.00 3.41 -0.23 -4.95 113.62 108.48 1i9i n SER 207 Ca -0.02 -2.53 -0.10 0.00 -0.26 0.00 0.00 58.87 55.96 1i9i n SER 207 Cb 0.17 -0.38 -0.01 0.00 -0.26 0.00 0.00 64.21 63.73 1i9i n SER 207 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1i9i n SER 208 N -0.10 -3.29 -4.80 4.04 7.64 -0.86 -4.91 113.62 111.34 1i9i n SER 208 Ca 0.16 0.25 -0.39 0.00 1.01 0.00 0.00 58.87 59.90 1i9i n SER 208 Cb 0.65 -2.88 -0.06 0.00 -1.01 0.00 0.00 64.21 60.91 1i9i n SER 208 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1i9i s THR 209 N -2.41 4.68 -0.16 0.44 2.01 -1.15 -4.98 115.64 114.06 1i9i s THR 209 Ca 0.00 1.30 -0.05 0.00 0.31 0.00 0.00 61.69 63.26 1i9i s THR 209 Cb 0.00 -3.94 0.08 0.00 0.01 0.00 0.00 72.50 68.65 1i9i s THR 209 CO 0.00 0.55 0.28 -0.75 -0.69 0.00 0.00 174.62 174.01 1i9i s LYS 210 N -1.10 0.20 0.03 4.92 2.20 -1.26 -1.32 119.74 123.40 1i9i s LYS 210 Ca 0.30 0.65 0.02 0.00 -0.36 0.00 0.00 55.97 56.57 1i9i s LYS 210 Cb -0.20 -0.28 -0.02 0.00 -1.51 0.00 0.00 37.83 35.83 1i9i s LYS 210 CO 0.20 -0.40 -0.06 0.08 -0.36 0.00 0.00 175.35 174.82 1i9i s VAL 211 N 2.44 0.40 -0.06 4.02 1.01 0.09 -5.02 120.40 123.28 1i9i s VAL 211 Ca 0.03 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.26 1i9i s VAL 211 Cb -0.13 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 1i9i s VAL 211 CO -0.11 -0.28 -0.21 -1.81 0.00 0.00 0.00 175.10 172.70 1i9i s ASP 212 N -1.16 2.65 -0.15 3.32 1.01 -1.26 -0.41 116.67 120.66 1i9i s ASP 212 Ca -0.08 -0.44 -0.01 0.00 0.71 0.00 0.00 52.55 52.73 1i9i s ASP 212 Cb -0.08 -0.82 0.04 0.00 1.01 0.00 0.00 42.92 43.08 1i9i s ASP 212 CO 0.00 0.19 -0.04 -0.75 0.21 0.00 0.00 175.17 174.78 1i9i s LYS 213 N 0.02 1.29 0.45 8.23 2.47 -0.74 -5.01 119.74 126.46 1i9i s LYS 213 Ca -0.06 -0.42 -0.21 0.00 -1.56 0.00 0.00 55.97 53.71 1i9i s LYS 213 Cb -0.14 -1.87 -0.09 0.00 -1.46 0.00 0.00 37.83 34.27 1i9i s LYS 213 CO 0.04 -0.42 1.02 0.21 0.16 0.00 0.00 175.35 176.36 1i9i s LYS 214 N 1.69 4.00 -0.40 4.03 2.20 -1.26 -2.66 119.74 127.34 1i9i s LYS 214 Ca 0.01 1.34 -0.12 0.00 -0.36 0.00 0.00 55.97 56.84 1i9i s LYS 214 Cb -0.15 -2.23 0.04 0.00 -1.51 0.00 0.00 37.83 33.98 1i9i s LYS 214 CO -0.08 -0.26 0.26 0.42 -0.36 0.00 0.00 175.35 175.34 1i9i s ILE 215 N -1.94 4.77 -0.03 5.43 1.01 -0.66 -4.88 121.20 124.90 1i9i s ILE 215 Ca 0.64 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 1i9i s ILE 215 Cb -0.16 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 1i9i s ILE 215 CO 0.20 -0.34 0.08 -0.69 0.00 0.00 0.00 174.94 174.19 1i9i s VAL 216 N 1.58 4.77 0.30 2.92 1.01 -1.26 -4.72 120.40 124.99 1i9i s VAL 216 Ca 0.03 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 1i9i s VAL 216 Cb -0.20 -3.14 -0.11 0.00 0.00 0.00 0.00 36.38 32.93 1i9i s VAL 216 CO 0.07 0.43 1.48 -2.84 0.00 0.00 0.00 175.10 174.23 1i9i s PRO 217 N -1.50 4.20 -0.05 2.72 0.02 -1.26 -4.77 135.00 134.36 1i9i s PRO 217 Ca 0.20 2.43 -0.30 0.00 0.02 0.00 0.00 61.00 63.35 1i9i s PRO 217 Cb -0.12 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.32 1i9i s PRO 217 CO 0.11 -0.47 1.13 1.03 -0.33 0.00 0.00 177.00 178.47 1i9i s ARG 218 N -1.00 4.40 0.84 5.54 0.52 -1.26 -5.03 118.95 122.95 1i9i s ARG 218 Ca 0.57 1.59 -0.12 0.00 -0.52 0.00 0.00 55.73 57.25 1i9i s ARG 218 Cb -0.44 -3.52 0.12 0.00 0.52 0.00 0.00 34.95 31.63 1i9i s ARG 218 CO 0.50 -0.36 1.19 -0.51 0.02 0.00 0.00 175.30 176.14 1i9i s ASP 219 N 1.29 4.04 0.00 0.23 1.01 -1.26 -4.85 116.67 117.14 1i9i s ASP 219 Ca 0.54 0.45 0.21 0.00 0.71 0.00 0.00 52.55 54.46 1i9i s ASP 219 Cb -0.23 -0.80 1.24 0.00 1.01 0.00 0.00 42.92 44.14 1i9i s ASP 219 CO 0.22 -2.15 1.62 0.00 0.21 0.00 0.00 175.17 175.07