#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x2u s TYR 30 N 0.00 -0.02 0.58 -1.77 -0.85 -0.53 -4.66 117.35 110.11 2x2u s TYR 30 Ca 0.00 -0.01 -0.19 0.00 -0.52 0.00 0.00 57.07 56.35 2x2u s TYR 30 Cb 0.00 -0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.28 2x2u s TYR 30 CO 0.00 -0.28 1.19 -0.06 -1.52 0.00 0.00 175.55 174.89 2x2u s PHE 31 N -1.20 2.45 -1.47 -3.49 0.08 -0.80 -0.18 117.98 113.36 2x2u s PHE 31 Ca -0.13 1.52 0.30 0.00 0.12 0.00 0.00 56.93 58.73 2x2u s PHE 31 Cb -0.07 -3.45 1.38 0.00 -0.57 0.00 0.00 43.02 40.31 2x2u s PHE 31 CO 0.02 -2.09 1.96 -1.13 -0.10 0.00 0.00 175.22 173.88 2x2u n SER 32 N -1.49 0.18 -4.06 1.36 3.41 -0.76 -4.77 113.62 107.50 2x2u n SER 32 Ca 0.13 -0.27 -0.13 0.00 -0.26 0.00 0.00 58.87 58.34 2x2u n SER 32 Cb 0.50 -0.20 -0.11 0.00 -0.26 0.00 0.00 64.21 64.13 2x2u n SER 32 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2x2u s ARG 33 N -2.57 0.52 0.16 4.33 0.52 -1.26 0.46 118.95 121.10 2x2u s ARG 33 Ca 0.28 -0.75 0.12 0.00 -0.52 0.00 0.00 55.73 54.86 2x2u s ARG 33 Cb 0.20 -0.27 -0.10 0.00 0.52 0.00 0.00 34.95 35.30 2x2u s ARG 33 CO 0.48 0.05 1.22 0.38 0.02 0.00 0.00 175.30 177.44 2x2u h ASP 34 N 4.51 0.00 -3.82 0.23 2.03 -1.89 -3.45 116.42 114.02 2x2u h ASP 34 Ca -0.36 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 55.66 2x2u h ASP 34 Cb 1.20 0.00 -0.28 0.00 -0.83 0.00 0.00 39.33 39.42 2x2u h ASP 34 CO 0.41 0.75 -0.74 0.00 -1.03 0.00 0.00 179.24 178.63 2x2u s ALA 35 N -2.82 0.26 0.27 4.15 0.00 -1.26 -1.86 121.76 120.50 2x2u s ALA 35 Ca 0.01 -0.12 0.11 0.00 0.00 0.00 0.00 51.96 51.96 2x2u s ALA 35 Cb 0.09 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 2x2u s ALA 35 CO 0.79 0.06 -0.17 0.71 0.00 0.00 0.00 175.76 177.14 2x2u s TYR 36 N -0.03 2.19 -0.08 0.00 2.02 -0.44 -4.97 117.35 116.04 2x2u s TYR 36 Ca 0.01 -0.40 -0.20 0.00 -0.37 0.00 0.00 57.07 56.10 2x2u s TYR 36 Cb -0.02 -1.01 0.04 0.00 -0.40 0.00 0.00 41.96 40.58 2x2u s TYR 36 CO -0.00 0.63 0.47 1.67 -1.57 0.00 0.00 175.55 176.74 2x2u s TRP 37 N -2.62 -0.42 0.00 2.71 -2.14 -1.26 -0.14 118.94 115.07 2x2u s TRP 37 Ca 0.29 0.82 0.00 0.00 2.66 0.00 0.00 56.10 59.87 2x2u s TRP 37 Cb -0.03 0.21 0.00 0.00 -3.10 0.00 0.00 33.47 30.55 2x2u s TRP 37 CO 0.14 -0.41 0.00 0.39 -2.66 0.00 0.00 176.95 174.41 2x2u n GLU 38 N 1.65 0.00 -4.33 3.25 -0.58 -0.38 -4.94 120.64 115.30 2x2u n GLU 38 Ca -0.18 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.30 2x2u n GLU 38 Cb 0.56 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.31 2x2u n GLU 38 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2x2u s LYS 39 N -1.69 1.25 0.06 3.49 1.02 -1.26 -1.65 119.74 120.95 2x2u s LYS 39 Ca 0.00 -1.26 0.05 0.00 0.02 0.00 0.00 55.97 54.78 2x2u s LYS 39 Cb 0.00 -1.60 -0.03 0.00 -0.52 0.00 0.00 37.83 35.68 2x2u s LYS 39 CO 0.00 0.37 -0.13 -0.51 -0.92 0.00 0.00 175.35 174.16 2x2u s LEU 40 N -2.03 2.24 0.30 3.17 1.43 -0.47 -4.86 118.68 118.46 2x2u s LEU 40 Ca 0.10 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 52.73 2x2u s LEU 40 Cb -0.10 -0.50 -0.06 0.00 0.03 0.00 0.00 46.19 45.57 2x2u s LEU 40 CO 0.05 -0.06 -0.07 -0.31 0.23 0.00 0.00 176.35 176.20 2x2u s TYR 41 N -1.14 2.10 0.25 0.29 2.02 -1.26 -1.35 117.35 118.26 2x2u s TYR 41 Ca -0.02 -0.64 -0.30 0.00 -0.37 0.00 0.00 57.07 55.75 2x2u s TYR 41 Cb -0.09 -1.21 -0.10 0.00 -0.40 0.00 0.00 41.96 40.16 2x2u s TYR 41 CO 0.02 0.37 1.37 0.08 -1.57 0.00 0.00 175.55 175.82 2x2u s VAL 42 N -2.89 2.87 -0.90 0.71 1.01 -0.37 -3.96 120.40 116.88 2x2u s VAL 42 Ca 0.31 0.75 0.00 0.00 0.00 0.00 0.00 61.98 63.03 2x2u s VAL 42 Cb 0.03 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.94 2x2u s VAL 42 CO 0.13 0.13 0.00 0.47 0.00 0.00 0.00 175.10 175.83 2x2u n ASP 43 N 2.15 -3.66 -4.75 3.32 8.00 0.38 -4.49 116.55 117.50 2x2u n ASP 43 Ca 0.05 0.11 -0.41 0.00 0.71 0.00 0.00 54.79 55.25 2x2u n ASP 43 Cb 0.41 -2.47 -0.03 0.00 -0.02 0.00 0.00 41.12 39.02 2x2u n ASP 43 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2x2u s GLN 44 N -3.63 4.45 0.34 -1.24 -0.21 -1.25 -4.96 119.66 113.15 2x2u s GLN 44 Ca 0.00 2.02 -0.28 0.00 0.02 0.00 0.00 55.36 57.12 2x2u s GLN 44 Cb 0.00 -3.16 -0.10 0.00 1.00 0.00 0.00 33.01 30.75 2x2u s GLN 44 CO 0.00 -0.10 1.33 0.00 -2.12 0.00 0.00 175.29 174.40 2x2u s ALA 45 N -0.60 3.49 0.17 6.09 0.00 -1.26 -4.02 121.76 125.62 2x2u s ALA 45 Ca 0.51 1.31 -0.31 0.00 0.00 0.00 0.00 51.96 53.47 2x2u s ALA 45 Cb -0.36 -3.50 -0.17 0.00 0.00 0.00 0.00 23.12 19.09 2x2u s ALA 45 CO 0.43 -0.72 0.77 0.00 0.00 0.00 0.00 175.76 176.25 2x2u n ALA 46 N 0.70 -2.42 -0.11 0.00 0.00 -1.26 -1.72 120.51 115.70 2x2u n ALA 46 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2x2u n ALA 46 Cb 0.42 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.12 2x2u n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x2u n GLY 47 N 1.81 0.61 3.69 0.00 0.00 0.20 -4.95 105.19 106.55 2x2u n GLY 47 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2x2u n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x2u s THR 48 N -2.31 3.60 0.32 2.61 2.01 -0.70 -4.79 115.64 116.37 2x2u s THR 48 Ca 0.00 1.02 -0.18 0.00 0.31 0.00 0.00 61.69 62.84 2x2u s THR 48 Cb 0.00 -3.66 -0.09 0.00 0.01 0.00 0.00 72.50 68.76 2x2u s THR 48 CO 0.00 0.01 0.79 -2.16 -0.69 0.00 0.00 174.62 172.57 2x2u s PRO 49 N 2.19 4.15 -0.02 4.92 0.04 -1.26 -0.92 135.00 144.09 2x2u s PRO 49 Ca 0.65 0.85 -0.06 0.00 0.04 0.00 0.00 61.00 62.48 2x2u s PRO 49 Cb -0.33 -2.52 -0.02 0.00 0.04 0.00 0.00 34.50 31.68 2x2u s PRO 49 CO 0.28 0.19 -0.11 1.28 0.04 0.00 0.00 177.00 178.67 2x2u n LEU 50 N -0.09 1.03 -3.73 -3.56 4.77 -0.02 -2.89 117.00 112.51 2x2u n LEU 50 Ca 0.03 0.16 -0.02 0.00 -0.03 0.00 0.00 56.01 56.15 2x2u n LEU 50 Cb 0.53 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 2x2u n LEU 50 CO 0.41 -0.53 0.84 -1.48 -1.33 0.00 0.00 177.39 175.31 2x2u s LEU 51 N -6.67 -0.12 0.03 2.23 0.05 -1.19 -4.08 118.68 108.93 2x2u s LEU 51 Ca -0.09 -0.34 0.00 0.00 0.05 0.00 0.00 54.13 53.75 2x2u s LEU 51 Cb 0.01 1.90 -0.04 0.00 -2.05 0.00 0.00 46.19 46.01 2x2u s LEU 51 CO 0.13 -0.71 0.10 -0.31 -0.55 0.00 0.00 176.35 175.01 2x2u s TYR 52 N -2.91 3.30 0.36 3.48 2.02 -1.26 -1.19 117.35 121.15 2x2u s TYR 52 Ca 0.14 0.19 0.07 0.00 -0.37 0.00 0.00 57.07 57.10 2x2u s TYR 52 Cb 0.00 -1.71 -0.02 0.00 -0.40 0.00 0.00 41.96 39.83 2x2u s TYR 52 CO 0.01 0.55 0.35 0.14 -1.57 0.00 0.00 175.55 175.03 2x2u s VAL 53 N -1.29 3.39 -0.01 0.71 -7.23 -0.45 -4.93 120.40 110.60 2x2u s VAL 53 Ca 0.26 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 59.14 2x2u s VAL 53 Cb -0.12 -3.17 0.01 0.00 0.56 0.00 0.00 36.38 33.66 2x2u s VAL 53 CO 0.18 -0.12 -0.00 -1.00 -0.31 0.00 0.00 175.10 173.84 2x2u s HIS 54 N -2.32 0.08 -0.08 2.82 0.09 -1.26 -4.66 115.29 109.95 2x2u s HIS 54 Ca 0.44 0.01 0.04 0.00 -0.00 0.00 0.00 55.06 55.54 2x2u s HIS 54 Cb -0.06 -0.10 0.00 0.00 -0.00 0.00 0.00 32.58 32.43 2x2u s HIS 54 CO 0.28 -0.02 -0.20 0.00 -0.00 0.00 0.00 174.74 174.80 2x2u s ALA 55 N 0.22 1.84 0.51 -1.40 0.00 -1.26 -1.82 121.76 119.85 2x2u s ALA 55 Ca -0.02 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.20 2x2u s ALA 55 Cb -0.03 -0.71 0.03 0.00 0.00 0.00 0.00 23.12 22.41 2x2u s ALA 55 CO -0.01 0.24 0.71 -0.51 0.00 0.00 0.00 175.76 176.20 2x2u s LEU 56 N 0.41 3.39 0.12 0.00 1.43 0.74 -4.90 118.68 119.88 2x2u s LEU 56 Ca -0.16 -0.18 -0.05 0.00 -1.03 0.00 0.00 54.13 52.72 2x2u s LEU 56 Cb -0.17 -2.75 -0.05 0.00 0.03 0.00 0.00 46.19 43.25 2x2u s LEU 56 CO 0.07 -1.04 0.36 -0.13 0.23 0.00 0.00 176.35 175.83 2x2u s ARG 57 N -4.64 3.61 -0.01 1.70 0.52 -1.26 -1.45 118.95 117.42 2x2u s ARG 57 Ca 0.57 -0.11 0.21 0.00 -0.52 0.00 0.00 55.73 55.89 2x2u s ARG 57 Cb -0.10 -2.88 -0.26 0.00 0.52 0.00 0.00 34.95 32.22 2x2u s ARG 57 CO 0.37 0.49 0.55 -0.25 0.02 0.00 0.00 175.30 176.48 2x2u n ASP 58 N 0.20 0.19 -3.99 0.23 8.00 -1.26 -4.00 116.55 115.93 2x2u n ASP 58 Ca -0.03 0.08 -0.09 0.00 0.71 0.00 0.00 54.79 55.46 2x2u n ASP 58 Cb 0.52 1.52 -0.11 0.00 -0.02 0.00 0.00 41.12 43.02 2x2u n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x2u s ALA 59 N -3.34 0.15 0.59 2.24 0.00 -1.26 -4.73 121.76 115.41 2x2u s ALA 59 Ca -0.07 -0.65 0.30 0.00 0.00 0.00 0.00 51.96 51.55 2x2u s ALA 59 Cb 0.12 0.16 1.84 0.00 0.00 0.00 0.00 23.12 25.25 2x2u s ALA 59 CO 0.87 -0.19 2.26 -1.35 0.00 0.00 0.00 175.76 177.36 2x2u h PRO 60 N 4.47 0.00 -0.05 0.00 0.11 -2.00 -2.56 132.00 131.97 2x2u h PRO 60 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2x2u h PRO 60 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2x2u h PRO 60 CO 0.44 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.38 2x2u n GLU 61 N -3.83 1.92 -2.44 1.05 0.00 -1.26 -4.95 120.64 111.13 2x2u n GLU 61 Ca -0.03 -1.34 -0.40 0.00 0.00 0.00 0.00 57.16 55.38 2x2u n GLU 61 Cb 0.09 -1.47 -0.04 0.00 0.00 0.00 0.00 31.44 30.02 2x2u n GLU 61 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2x2u s GLU 62 N -1.96 4.60 -0.08 3.44 2.02 -0.97 -5.03 118.70 120.72 2x2u s GLU 62 Ca 0.34 1.83 0.01 0.00 0.02 0.00 0.00 54.97 57.17 2x2u s GLU 62 Cb 0.20 -3.20 0.02 0.00 0.10 0.00 0.00 34.13 31.26 2x2u s GLU 62 CO 0.32 0.13 -0.08 0.08 0.02 0.00 0.00 175.26 175.73 2x2u s VAL 63 N -0.92 0.94 0.56 2.63 1.01 -1.26 -4.92 120.40 118.45 2x2u s VAL 63 Ca 0.46 -0.30 -0.19 0.00 0.00 0.00 0.00 61.98 61.95 2x2u s VAL 63 Cb -0.32 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 2x2u s VAL 63 CO 0.41 0.33 1.14 -2.16 0.00 0.00 0.00 175.10 174.81 2x2u s PRO 64 N 1.24 3.28 -0.19 2.72 0.04 -1.26 -5.02 135.00 135.81 2x2u s PRO 64 Ca -0.04 1.62 -0.00 0.00 0.04 0.00 0.00 61.00 62.61 2x2u s PRO 64 Cb -0.14 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.46 2x2u s PRO 64 CO -0.03 -0.91 -0.04 0.45 0.04 0.00 0.00 177.00 176.52 2x2u s SER 65 N -1.81 3.15 -0.07 6.66 0.15 -0.16 -4.78 113.70 116.84 2x2u s SER 65 Ca 0.73 -0.84 -0.14 0.00 0.70 0.00 0.00 55.95 56.39 2x2u s SER 65 Cb -0.24 -0.95 -0.05 0.00 -1.71 0.00 0.00 66.02 63.07 2x2u s SER 65 CO 0.28 -0.22 0.36 -0.36 1.20 0.00 0.00 173.24 174.51 2x2u s PHE 66 N 1.59 3.62 0.03 3.44 0.08 0.19 -3.27 117.98 123.66 2x2u s PHE 66 Ca -0.01 0.83 -0.03 0.00 0.12 0.00 0.00 56.93 57.83 2x2u s PHE 66 Cb -0.17 -2.30 -0.01 0.00 -0.57 0.00 0.00 43.02 39.97 2x2u s PHE 66 CO -0.07 0.49 0.05 -0.98 -0.10 0.00 0.00 175.22 174.60 2x2u s ARG 67 N -0.45 0.47 0.21 0.44 1.70 -0.64 -4.27 118.95 116.41 2x2u s ARG 67 Ca 0.21 -0.68 -0.11 0.00 -0.47 0.00 0.00 55.73 54.68 2x2u s ARG 67 Cb -0.15 0.18 -0.07 0.00 -0.57 0.00 0.00 34.95 34.34 2x2u s ARG 67 CO 0.10 -0.10 0.55 -0.51 -1.08 0.00 0.00 175.30 174.26 2x2u s LEU 68 N -1.83 4.21 1.07 -1.89 1.43 -1.26 -0.03 118.68 120.38 2x2u s LEU 68 Ca -0.09 0.97 -0.14 0.00 -1.03 0.00 0.00 54.13 53.84 2x2u s LEU 68 Cb -0.05 -3.58 0.17 0.00 0.03 0.00 0.00 46.19 42.76 2x2u s LEU 68 CO -0.03 -0.03 0.66 0.61 0.23 0.00 0.00 176.35 177.79 2x2u n GLY 69 N 0.11 -1.83 0.10 -3.19 0.00 0.38 -4.92 105.19 95.84 2x2u n GLY 69 Ca -0.01 -0.91 -0.03 0.00 0.00 0.00 0.00 46.02 45.08 2x2u n GLY 69 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2x2u h GLN 70 N -2.17 0.00 -6.08 1.61 4.15 -1.97 -3.46 115.11 107.18 2x2u h GLN 70 Ca -0.53 0.00 -0.58 0.00 0.77 0.00 0.00 58.65 58.31 2x2u h GLN 70 Cb 1.32 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 28.90 2x2u h GLN 70 CO 0.42 0.77 -0.64 -1.01 -1.93 0.00 0.00 178.83 176.44 2x2u s HIS 71 N -2.87 2.54 0.03 3.99 3.76 -1.26 -0.27 115.29 121.20 2x2u s HIS 71 Ca 0.02 -0.38 -0.07 0.00 -0.15 0.00 0.00 55.06 54.48 2x2u s HIS 71 Cb 0.09 -1.35 -0.05 0.00 1.11 0.00 0.00 32.58 32.38 2x2u s HIS 71 CO 0.78 0.54 0.30 -0.51 -0.85 0.00 0.00 174.74 175.01 2x2u s LEU 72 N -3.68 4.37 0.17 0.89 1.43 -0.01 -4.60 118.68 117.25 2x2u s LEU 72 Ca 0.33 0.62 0.10 0.00 -1.03 0.00 0.00 54.13 54.15 2x2u s LEU 72 Cb -0.02 -2.76 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 2x2u s LEU 72 CO 0.19 0.23 -0.21 -0.31 0.23 0.00 0.00 176.35 176.48 2x2u s TYR 73 N -1.32 2.05 0.00 0.29 2.02 -0.04 -0.71 117.35 119.64 2x2u s TYR 73 Ca 0.29 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.58 2x2u s TYR 73 Cb -0.13 -1.02 0.00 0.00 -0.40 0.00 0.00 41.96 40.40 2x2u s TYR 73 CO 0.17 0.40 0.00 0.41 -1.57 0.00 0.00 175.55 174.96 2x2u n GLY 74 N 0.34 5.19 3.77 0.71 0.00 -0.21 -1.14 105.19 113.85 2x2u n GLY 74 Ca -0.13 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 2x2u n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x2u s THR 75 N 3.12 3.36 -1.12 2.61 2.01 -1.26 -3.06 115.64 121.30 2x2u s THR 75 Ca 0.00 1.17 -0.09 0.00 0.31 0.00 0.00 61.69 63.07 2x2u s THR 75 Cb 0.00 -3.67 0.08 0.00 0.01 0.00 0.00 72.50 68.93 2x2u s THR 75 CO 0.00 0.13 0.38 -1.22 -0.69 0.00 0.00 174.62 173.22 2x2u n TYR 76 N 0.31 -1.69 -1.86 4.92 4.01 -1.26 -1.87 117.16 119.72 2x2u n TYR 76 Ca 0.03 0.38 -0.07 0.00 -0.16 0.00 0.00 57.90 58.08 2x2u n TYR 76 Cb 0.47 -2.35 -0.01 0.00 -0.31 0.00 0.00 39.34 37.13 2x2u n TYR 76 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2x2u n ARG 77 N -3.48 -0.55 -1.84 -0.72 1.74 -1.17 -4.96 116.66 105.68 2x2u n ARG 77 Ca 0.00 0.47 -0.42 0.00 -0.77 0.00 0.00 57.85 57.13 2x2u n ARG 77 Cb 0.52 -4.34 -0.03 0.00 -1.02 0.00 0.00 32.46 27.60 2x2u n ARG 77 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2x2u s THR 78 N -2.33 2.31 -0.36 0.55 2.01 -0.78 -4.74 115.64 112.30 2x2u s THR 78 Ca 0.00 0.23 -0.26 0.00 0.31 0.00 0.00 61.69 61.97 2x2u s THR 78 Cb 0.00 -3.15 0.01 0.00 0.01 0.00 0.00 72.50 69.38 2x2u s THR 78 CO 0.00 0.02 0.95 -0.60 -0.69 0.00 0.00 174.62 174.30 2x2u s ARG 79 N 0.74 3.89 -0.20 4.92 3.52 -1.26 -1.04 118.95 129.51 2x2u s ARG 79 Ca 0.70 0.67 -0.19 0.00 -0.13 0.00 0.00 55.73 56.78 2x2u s ARG 79 Cb -0.46 -3.79 -0.20 0.00 -1.56 0.00 0.00 34.95 28.94 2x2u s ARG 79 CO 0.35 -0.94 0.20 1.28 -0.81 0.00 0.00 175.30 175.39 2x2u n LEU 80 N 6.79 2.00 -3.62 -0.88 4.77 0.12 -4.97 117.00 121.21 2x2u n LEU 80 Ca 0.08 0.38 -0.04 0.00 -0.03 0.00 0.00 56.01 56.40 2x2u n LEU 80 Cb 0.48 -0.98 -0.03 0.00 -2.33 0.00 0.00 43.42 40.55 2x2u n LEU 80 CO 0.58 0.39 1.04 -2.28 -1.33 0.00 0.00 177.39 175.79 2x2u s HIS 81 N -2.40 -0.12 0.35 -1.77 5.04 -1.20 -4.80 115.29 110.39 2x2u s HIS 81 Ca -0.28 0.16 -0.28 0.00 -1.54 0.00 0.00 55.06 53.12 2x2u s HIS 81 Cb 0.07 0.49 -0.12 0.00 0.04 0.00 0.00 32.58 33.06 2x2u s HIS 81 CO 0.61 -0.14 1.45 -1.91 -2.34 0.00 0.00 174.74 172.41 2x2u n GLU 82 N 0.32 2.51 -2.47 2.88 2.13 -1.26 -0.83 120.64 123.91 2x2u n GLU 82 Ca -0.01 0.88 -0.41 0.00 0.66 0.00 0.00 57.16 58.28 2x2u n GLU 82 Cb 0.58 -2.58 -0.03 0.00 0.27 0.00 0.00 31.44 29.69 2x2u n GLU 82 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2x2u s ASN 83 N -0.07 6.11 0.00 4.31 2.47 0.62 -4.67 114.94 123.72 2x2u s ASN 83 Ca 0.56 -0.13 0.21 0.00 0.42 0.00 0.00 52.86 53.92 2x2u s ASN 83 Cb -0.51 -2.55 0.54 0.00 -1.45 0.00 0.00 41.25 37.27 2x2u s ASN 83 CO 0.61 -1.81 1.46 0.59 -3.72 0.00 0.00 177.10 174.22 2x2u n ASN 84 N 9.60 3.23 0.00 -4.21 3.02 -1.26 -4.64 115.26 121.00 2x2u n ASN 84 Ca 0.08 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.65 2x2u n ASN 84 Cb 0.49 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 2x2u n ASN 84 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2x2u n TRP 85 N 1.29 0.00 -4.34 3.10 8.01 -1.26 -4.65 117.44 119.59 2x2u n TRP 85 Ca 0.20 0.00 -0.34 0.00 -1.31 0.00 0.00 57.50 56.05 2x2u n TRP 85 Cb 0.53 0.00 -0.10 0.00 -2.01 0.00 0.00 31.31 29.73 2x2u n TRP 85 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 2x2u s ILE 86 N -1.88 4.24 0.23 -0.99 1.01 -1.26 0.26 121.20 122.82 2x2u s ILE 86 Ca 0.00 -0.26 0.08 0.00 0.00 0.00 0.00 60.65 60.48 2x2u s ILE 86 Cb 0.00 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.60 2x2u s ILE 86 CO 0.00 0.55 -0.15 -0.13 0.00 0.00 0.00 174.94 175.22 2x2u s ARG 87 N -0.35 1.42 0.07 2.79 1.81 -0.19 -4.85 118.95 119.65 2x2u s ARG 87 Ca 0.07 -1.64 0.08 0.00 -1.72 0.00 0.00 55.73 52.51 2x2u s ARG 87 Cb -0.12 -1.25 -0.03 0.00 -0.45 0.00 0.00 34.95 33.10 2x2u s ARG 87 CO 0.02 0.20 -0.21 -1.50 -0.68 0.00 0.00 175.30 173.13 2x2u s ILE 88 N -2.89 1.73 -0.33 1.52 2.07 -1.26 -1.58 121.20 120.46 2x2u s ILE 88 Ca 0.25 -1.34 -0.29 0.00 -1.41 0.00 0.00 60.65 57.86 2x2u s ILE 88 Cb -0.01 -1.52 0.01 0.00 0.13 0.00 0.00 42.46 41.06 2x2u s ILE 88 CO 0.09 0.12 1.27 -1.58 -1.91 0.00 0.00 174.94 172.93 2x2u s GLN 89 N -1.45 3.89 0.45 3.50 -0.44 0.10 -4.93 119.66 120.78 2x2u s GLN 89 Ca 0.08 1.14 0.14 0.00 -2.50 0.00 0.00 55.36 54.22 2x2u s GLN 89 Cb -0.09 -3.88 1.06 0.00 -1.64 0.00 0.00 33.01 28.46 2x2u s GLN 89 CO 0.03 -1.16 2.01 1.49 0.50 0.00 0.00 175.29 178.16 2x2u h GLU 90 N 9.27 0.35 0.08 1.67 4.81 -1.90 -0.01 114.58 128.85 2x2u h GLU 90 Ca -0.25 -0.02 -0.34 0.00 -0.13 0.00 0.00 59.36 58.61 2x2u h GLU 90 Cb 1.09 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 2x2u h GLU 90 CO 1.05 0.23 -1.93 -0.25 -0.73 0.00 0.00 179.01 177.38 2x2u n ASP 91 N -4.47 1.73 -0.00 1.04 8.00 -1.26 -0.64 116.55 120.95 2x2u n ASP 91 Ca 0.08 0.26 0.11 0.00 0.71 0.00 0.00 54.79 55.95 2x2u n ASP 91 Cb 0.32 -0.60 -0.14 0.00 -0.02 0.00 0.00 41.12 40.69 2x2u n ASP 91 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2x2u n THR 92 N -3.34 0.03 -0.84 -3.53 -2.24 -1.07 -4.90 114.28 98.39 2x2u n THR 92 Ca -0.28 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2x2u n THR 92 Cb 1.05 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 2x2u n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x2u n GLY 93 N 1.33 0.52 3.67 3.38 0.00 -0.04 -4.76 105.19 109.30 2x2u n GLY 93 Ca -0.01 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 2x2u n GLY 93 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2x2u s LEU 94 N 0.00 4.23 -0.09 0.99 2.96 -1.26 -1.35 118.68 124.17 2x2u s LEU 94 Ca 0.00 1.77 -0.11 0.00 -0.22 0.00 0.00 54.13 55.57 2x2u s LEU 94 Cb 0.00 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.09 2x2u s LEU 94 CO 0.00 -0.68 0.26 -0.76 -1.32 0.00 0.00 176.35 173.85 2x2u s LEU 95 N 2.87 4.38 0.20 -0.68 1.02 -0.33 0.01 118.68 126.15 2x2u s LEU 95 Ca 0.56 0.63 -0.14 0.00 0.02 0.00 0.00 54.13 55.20 2x2u s LEU 95 Cb -0.23 -2.30 0.01 0.00 0.02 0.00 0.00 46.19 43.68 2x2u s LEU 95 CO 0.19 0.31 0.46 -0.72 0.02 0.00 0.00 176.35 176.60 2x2u s TYR 96 N -0.70 0.11 -0.34 0.29 -0.85 -0.61 -0.84 117.35 114.41 2x2u s TYR 96 Ca 0.18 -0.47 -0.25 0.00 -0.52 0.00 0.00 57.07 56.02 2x2u s TYR 96 Cb -0.14 0.24 0.01 0.00 0.38 0.00 0.00 41.96 42.45 2x2u s TYR 96 CO 0.07 -0.89 0.85 -0.51 -1.52 0.00 0.00 175.55 173.55 2x2u s LEU 97 N -2.93 4.06 0.45 -3.49 1.43 -0.10 -1.02 118.68 117.08 2x2u s LEU 97 Ca 0.14 0.61 0.25 0.00 -1.03 0.00 0.00 54.13 54.11 2x2u s LEU 97 Cb 0.00 -3.16 0.72 0.00 0.03 0.00 0.00 46.19 43.78 2x2u s LEU 97 CO 0.00 -0.73 1.74 -0.61 0.23 0.00 0.00 176.35 176.98 2x2u h GLN 98 N 8.29 0.00 -3.02 1.70 4.15 -0.52 0.56 115.11 126.27 2x2u h GLN 98 Ca -0.24 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.04 2x2u h GLN 98 Cb 1.09 0.00 -0.24 0.00 0.21 0.00 0.00 27.48 28.54 2x2u h GLN 98 CO 0.93 0.11 -0.34 1.03 -1.93 0.00 0.00 178.83 178.63 2x2u s ARG 99 N -3.40 0.44 0.55 1.69 0.52 -1.12 -4.62 118.95 113.01 2x2u s ARG 99 Ca 0.04 0.26 -0.19 0.00 -0.52 0.00 0.00 55.73 55.32 2x2u s ARG 99 Cb 0.07 0.20 -0.06 0.00 0.52 0.00 0.00 34.95 35.69 2x2u s ARG 99 CO 0.64 -0.08 1.09 -1.54 0.02 0.00 0.00 175.30 175.42 2x2u s SER 100 N -0.24 5.85 -0.50 0.23 1.04 -1.26 -4.63 113.70 114.19 2x2u s SER 100 Ca -0.04 2.02 -0.17 0.00 0.48 0.00 0.00 55.95 58.24 2x2u s SER 100 Cb -0.03 -2.56 0.08 0.00 0.10 0.00 0.00 66.02 63.61 2x2u s SER 100 CO 0.01 -1.12 0.49 -0.76 0.98 0.00 0.00 173.24 172.84 2x2u s LEU 101 N -3.95 5.56 0.00 2.42 1.43 -1.26 -4.95 118.68 117.94 2x2u s LEU 101 Ca 0.69 -1.33 0.05 0.00 -1.03 0.00 0.00 54.13 52.51 2x2u s LEU 101 Cb -0.20 -2.25 0.09 0.00 0.03 0.00 0.00 46.19 43.86 2x2u s LEU 101 CO 0.28 -0.77 0.71 -0.90 0.23 0.00 0.00 176.35 175.90 2x2u n ASP 102 N 5.51 1.51 -0.36 2.29 5.68 -1.26 0.15 116.55 130.06 2x2u n ASP 102 Ca -0.11 -2.15 0.07 0.00 -0.50 0.00 0.00 54.79 52.10 2x2u n ASP 102 Cb 0.43 -0.41 0.24 0.00 -1.14 0.00 0.00 41.12 40.24 2x2u n ASP 102 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 2x2u h HIS 103 N -0.15 1.15 -0.29 2.11 3.86 -1.97 -1.40 115.15 118.46 2x2u h HIS 103 Ca -0.24 0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 58.84 2x2u h HIS 103 Cb 1.01 -0.37 -0.00 0.00 1.06 0.00 0.00 27.41 29.11 2x2u h HIS 103 CO 0.00 0.46 -0.49 0.66 0.86 0.00 0.00 177.93 179.42 2x2u h SER 104 N 1.01 0.86 -0.25 2.45 4.64 -1.99 -1.85 113.55 118.42 2x2u h SER 104 Ca 0.50 -0.43 0.06 0.00 -0.47 0.00 0.00 61.79 61.44 2x2u h SER 104 Cb 0.47 -0.25 -0.06 0.00 -0.31 0.00 0.00 62.40 62.26 2x2u h SER 104 CO -0.26 1.20 -0.15 0.28 -0.87 0.00 0.00 176.83 177.03 2x2u h SER 105 N 0.62 -0.49 0.15 4.97 0.02 -1.66 -0.84 113.55 116.32 2x2u h SER 105 Ca 0.03 0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 2x2u h SER 105 Cb 1.07 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.86 2x2u h SER 105 CO 0.11 -0.19 -0.26 -0.50 -1.14 0.00 0.00 176.83 174.85 2x2u h TRP 106 N -0.13 0.21 -0.29 3.45 4.06 -1.16 -2.49 115.95 119.60 2x2u h TRP 106 Ca 0.14 -0.04 -0.03 0.00 2.06 0.00 0.00 58.89 61.02 2x2u h TRP 106 Cb 0.34 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 2x2u h TRP 106 CO -0.33 0.44 0.06 0.93 -3.56 0.00 0.00 178.44 175.98 2x2u h GLU 107 N 0.17 0.47 -0.97 0.49 3.07 -1.02 0.31 114.58 117.11 2x2u h GLU 107 Ca 0.03 -0.12 0.16 0.00 -0.50 0.00 0.00 59.36 58.93 2x2u h GLU 107 Cb 0.55 -0.06 -0.09 0.00 -0.84 0.00 0.00 28.75 28.32 2x2u h GLU 107 CO 0.04 0.56 0.61 0.87 -1.40 0.00 0.00 179.01 179.69 2x2u h LYS 108 N 0.30 0.74 0.04 2.33 1.57 -0.78 -1.33 116.57 119.45 2x2u h LYS 108 Ca 0.09 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 2x2u h LYS 108 Cb 0.31 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.46 2x2u h LYS 108 CO 0.00 0.49 -0.29 -0.07 -0.57 0.00 0.00 179.45 179.01 2x2u h LEU 109 N 0.77 0.18 -0.73 2.94 3.38 -1.15 -3.13 115.31 117.57 2x2u h LEU 109 Ca 0.51 -0.94 0.12 0.00 0.09 0.00 0.00 57.88 57.66 2x2u h LEU 109 Cb 0.78 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.39 2x2u h LEU 109 CO -0.28 1.10 0.32 -1.28 0.09 0.00 0.00 178.44 178.40 2x2u h SER 110 N -0.71 0.35 0.99 -0.43 0.87 -0.16 -2.34 113.55 112.12 2x2u h SER 110 Ca -0.05 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 2x2u h SER 110 Cb 1.19 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2x2u h SER 110 CO 0.06 0.17 -0.12 -0.37 -0.53 0.00 0.00 176.83 176.04 2x2u h VAL 111 N 0.51 0.30 -0.01 2.23 -1.51 -1.29 -2.33 116.25 114.15 2x2u h VAL 111 Ca 0.38 -0.85 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2x2u h VAL 111 Cb 0.51 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 2x2u h VAL 111 CO -0.34 0.12 -0.04 0.54 -1.23 0.00 0.00 177.57 176.62 2x2u n ARG 112 N -3.26 1.16 -0.39 5.19 5.12 -0.89 -4.30 116.66 119.29 2x2u n ARG 112 Ca 0.00 -0.44 -0.02 0.00 -1.93 0.00 0.00 57.85 55.47 2x2u n ARG 112 Cb 0.38 -1.49 0.12 0.00 -1.16 0.00 0.00 32.46 30.31 2x2u n ARG 112 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2x2u n ASN 113 N -0.54 2.99 -2.20 0.55 5.15 -0.88 -4.72 115.26 115.61 2x2u n ASN 113 Ca 0.19 -2.45 -0.19 0.00 -0.60 0.00 0.00 54.58 51.53 2x2u n ASN 113 Cb 0.25 -0.59 -0.01 0.00 -0.53 0.00 0.00 39.78 38.90 2x2u n ASN 113 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2x2u n ARG 114 N 0.10 -1.59 -0.46 1.20 1.74 -1.26 -1.52 116.66 114.87 2x2u n ARG 114 Ca 0.15 0.93 0.00 0.00 -0.77 0.00 0.00 57.85 58.16 2x2u n ARG 114 Cb 0.74 -5.49 0.00 0.00 -1.02 0.00 0.00 32.46 26.68 2x2u n ARG 114 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x2u n GLY 115 N -1.03 1.17 3.88 -0.13 0.00 -1.26 -5.05 105.19 102.77 2x2u n GLY 115 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 2x2u n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x2u s PHE 116 N -3.11 3.44 0.35 1.61 0.08 -0.58 -5.03 117.98 114.75 2x2u s PHE 116 Ca 0.00 0.76 -0.28 0.00 0.12 0.00 0.00 56.93 57.52 2x2u s PHE 116 Cb 0.00 -2.17 -0.11 0.00 -0.57 0.00 0.00 43.02 40.17 2x2u s PHE 116 CO 0.00 0.29 1.43 -1.25 -0.10 0.00 0.00 175.22 175.60 2x2u s PRO 117 N -2.89 4.20 -0.64 0.24 0.04 -1.26 -4.82 135.00 129.87 2x2u s PRO 117 Ca 0.45 2.44 -0.26 0.00 0.04 0.00 0.00 61.00 63.67 2x2u s PRO 117 Cb -0.11 -3.01 0.04 0.00 0.04 0.00 0.00 34.50 31.45 2x2u s PRO 117 CO 0.23 -0.42 1.12 -1.17 0.04 0.00 0.00 177.00 176.80 2x2u s LEU 118 N -1.80 3.68 -0.12 -3.56 2.96 -1.26 -4.74 118.68 113.84 2x2u s LEU 118 Ca 0.52 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 2x2u s LEU 118 Cb -0.44 -2.77 -0.09 0.00 0.50 0.00 0.00 46.19 43.39 2x2u s LEU 118 CO 0.58 -1.52 -0.07 0.18 -1.32 0.00 0.00 176.35 174.19 2x2u n LEU 119 N 8.37 2.11 -4.01 -0.68 4.77 -1.26 -4.80 117.00 121.49 2x2u n LEU 119 Ca 0.03 -0.05 -0.17 0.00 -0.03 0.00 0.00 56.01 55.79 2x2u n LEU 119 Cb 0.48 -0.24 -0.14 0.00 -2.33 0.00 0.00 43.42 41.19 2x2u n LEU 119 CO 0.68 0.58 -0.42 -0.89 -1.33 0.00 0.00 177.39 176.01 2x2u s THR 120 N -2.25 0.61 0.03 -5.08 2.01 -1.26 -0.86 115.64 108.84 2x2u s THR 120 Ca -0.14 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 61.44 2x2u s THR 120 Cb 0.04 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.99 2x2u s THR 120 CO 0.33 0.08 -0.12 0.68 -0.69 0.00 0.00 174.62 174.89 2x2u s VAL 121 N -0.38 0.98 0.19 3.82 -7.23 0.16 -4.37 120.40 113.56 2x2u s VAL 121 Ca 0.01 -0.92 0.01 0.00 -1.81 0.00 0.00 61.98 59.27 2x2u s VAL 121 Cb -0.04 -0.89 -0.05 0.00 0.56 0.00 0.00 36.38 35.96 2x2u s VAL 121 CO -0.00 -0.02 0.06 -0.72 -0.31 0.00 0.00 175.10 174.11 2x2u s TYR 122 N -0.82 1.22 0.12 2.82 -0.85 -0.29 0.65 117.35 120.19 2x2u s TYR 122 Ca 0.00 -1.18 0.03 0.00 -0.52 0.00 0.00 57.07 55.41 2x2u s TYR 122 Cb -0.07 -0.68 -0.04 0.00 0.38 0.00 0.00 41.96 41.54 2x2u s TYR 122 CO 0.01 -0.39 -0.09 -0.51 -1.52 0.00 0.00 175.55 173.05 2x2u s LEU 123 N -3.18 2.50 -0.05 -3.49 1.43 -0.78 -0.86 118.68 114.24 2x2u s LEU 123 Ca 0.31 -0.97 -0.03 0.00 -1.03 0.00 0.00 54.13 52.41 2x2u s LEU 123 Cb 0.07 -0.24 -0.04 0.00 0.03 0.00 0.00 46.19 46.01 2x2u s LEU 123 CO 0.08 -0.37 0.08 -0.54 0.23 0.00 0.00 176.35 175.83 2x2u s LYS 124 N -3.58 3.15 -0.21 1.70 1.02 -1.26 -0.57 119.74 119.99 2x2u s LYS 124 Ca 0.13 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 55.75 2x2u s LYS 124 Cb 0.02 -2.93 0.05 0.00 -0.52 0.00 0.00 37.83 34.45 2x2u s LYS 124 CO -0.01 0.70 -0.07 0.08 -0.92 0.00 0.00 175.35 175.13 2x2u s VAL 125 N -1.08 1.47 0.10 3.17 1.01 -0.03 -0.47 120.40 124.57 2x2u s VAL 125 Ca 0.19 -1.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 2x2u s VAL 125 Cb -0.12 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 2x2u s VAL 125 CO 0.09 0.01 0.33 -0.36 0.00 0.00 0.00 175.10 175.17 2x2u s PHE 126 N 1.44 3.51 -1.35 5.22 0.08 0.96 -0.67 117.98 127.17 2x2u s PHE 126 Ca -0.03 0.53 0.14 0.00 0.12 0.00 0.00 56.93 57.69 2x2u s PHE 126 Cb -0.17 -1.98 0.02 0.00 -0.57 0.00 0.00 43.02 40.32 2x2u s PHE 126 CO -0.07 0.50 0.80 1.47 -0.10 0.00 0.00 175.22 177.82 2x2u n LEU 127 N 0.37 1.60 0.00 -0.37 -0.00 -1.18 -1.62 117.00 115.80 2x2u n LEU 127 Ca -0.05 -0.81 0.00 0.00 -0.00 0.00 0.00 56.01 55.15 2x2u n LEU 127 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 2x2u n LEU 127 CO 0.47 0.31 0.00 -1.54 -0.00 0.00 0.00 177.39 176.63 2x2u n SER 128 N 0.01 0.00 -0.01 1.45 3.41 -1.20 -0.99 113.62 116.29 2x2u n SER 128 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2x2u n SER 128 Cb 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 2x2u n SER 128 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2x2u n GLU 136 N -1.51 0.00 -3.94 4.33 0.00 -1.26 -4.97 120.64 113.29 2x2u n GLU 136 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.83 2x2u n GLU 136 Cb 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 31.44 31.30 2x2u n GLU 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2x2u s GLN 138 N 0.99 0.45 0.49 0.00 -0.21 -1.25 -4.89 119.66 115.25 2x2u s GLN 138 Ca 0.09 -0.41 -0.24 0.00 0.02 0.00 0.00 55.36 54.83 2x2u s GLN 138 Cb -0.20 -0.35 -0.07 0.00 1.00 0.00 0.00 33.01 33.39 2x2u s GLN 138 CO -0.07 0.08 1.41 -0.46 -2.12 0.00 0.00 175.29 174.14 2x2u s TRP 139 N -0.61 2.35 -0.58 0.91 -0.00 -1.10 -1.99 118.94 117.91 2x2u s TRP 139 Ca -0.03 1.29 0.23 0.00 -0.00 0.00 0.00 56.10 57.60 2x2u s TRP 139 Cb -0.05 -3.90 0.17 0.00 -0.00 0.00 0.00 33.47 29.69 2x2u s TRP 139 CO 0.00 -3.02 1.15 -0.35 -0.00 0.00 0.00 176.95 174.74 2x2u n PRO 140 N -0.57 0.32 0.00 5.86 -0.04 -1.26 -4.88 135.00 134.43 2x2u n PRO 140 Ca 0.07 0.05 0.13 0.00 -0.04 0.00 0.00 63.50 63.71 2x2u n PRO 140 Cb 0.43 -1.65 0.48 0.00 -0.04 0.00 0.00 33.50 32.71 2x2u n PRO 140 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2x2u n GLY 141 N 1.34 -1.11 3.13 0.55 0.00 -1.14 -1.91 105.19 106.06 2x2u n GLY 141 Ca 0.02 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 2x2u n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x2u s ALA 143 N 0.66 2.47 -0.18 0.00 0.00 0.15 -2.73 121.76 122.14 2x2u s ALA 143 Ca -0.04 -1.35 -0.06 0.00 0.00 0.00 0.00 51.96 50.50 2x2u s ALA 143 Cb -0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 2x2u s ALA 143 CO -0.04 0.56 0.03 1.03 0.00 0.00 0.00 175.76 177.34 2x2u s ARG 144 N -1.82 3.86 -0.27 0.00 0.52 -0.78 -0.85 118.95 119.62 2x2u s ARG 144 Ca 0.15 -0.41 -0.06 0.00 -0.52 0.00 0.00 55.73 54.89 2x2u s ARG 144 Cb -0.10 -3.13 -0.00 0.00 0.52 0.00 0.00 34.95 32.24 2x2u s ARG 144 CO 0.06 0.24 0.04 0.08 0.02 0.00 0.00 175.30 175.74 2x2u s VAL 145 N 0.43 3.79 -0.14 3.52 1.01 0.27 -1.33 120.40 127.95 2x2u s VAL 145 Ca 0.01 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 2x2u s VAL 145 Cb -0.13 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2x2u s VAL 145 CO 0.01 0.22 0.06 -0.31 0.00 0.00 0.00 175.10 175.07 2x2u s TYR 146 N 1.50 3.28 -0.13 5.22 2.02 0.80 -1.86 117.35 128.18 2x2u s TYR 146 Ca 0.04 0.17 0.03 0.00 -0.37 0.00 0.00 57.07 56.94 2x2u s TYR 146 Cb -0.16 -1.97 0.01 0.00 -0.40 0.00 0.00 41.96 39.44 2x2u s TYR 146 CO 0.01 0.34 -0.22 -0.06 -1.57 0.00 0.00 175.55 174.05 2x2u s PHE 147 N -0.22 2.58 -0.12 2.71 0.08 0.21 -1.25 117.98 121.96 2x2u s PHE 147 Ca 0.08 -1.25 -0.29 0.00 0.12 0.00 0.00 56.93 55.58 2x2u s PHE 147 Cb -0.12 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 2x2u s PHE 147 CO 0.01 -0.56 1.29 -1.12 -0.10 0.00 0.00 175.22 174.74 2x2u s SER 148 N 0.74 6.94 0.00 1.36 0.01 -0.66 -0.67 113.70 121.42 2x2u s SER 148 Ca -0.09 1.79 -0.22 0.00 1.31 0.00 0.00 55.95 58.73 2x2u s SER 148 Cb -0.16 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.48 2x2u s SER 148 CO 0.00 -0.74 0.65 0.12 0.41 0.00 0.00 173.24 173.69 2x2u s PHE 149 N 3.20 3.68 -0.17 2.43 5.36 -0.04 -1.36 117.98 131.08 2x2u s PHE 149 Ca 0.57 1.28 0.01 0.00 -0.96 0.00 0.00 56.93 57.82 2x2u s PHE 149 Cb -0.24 -2.69 0.03 0.00 -0.34 0.00 0.00 43.02 39.78 2x2u s PHE 149 CO 0.18 0.30 -0.16 -0.06 -1.46 0.00 0.00 175.22 174.02 2x2u s PHE 150 N -0.02 2.50 -1.10 10.12 0.08 -0.46 -4.87 117.98 124.24 2x2u s PHE 150 Ca 0.34 -1.50 -0.08 0.00 0.12 0.00 0.00 56.93 55.81 2x2u s PHE 150 Cb -0.19 -1.75 -0.07 0.00 -0.57 0.00 0.00 43.02 40.45 2x2u s PHE 150 CO 0.19 -0.75 2.30 -1.71 -0.10 0.00 0.00 175.22 175.15 2x2u n ASN 151 N 4.68 5.59 -3.15 1.36 2.85 -1.26 -3.52 115.26 121.82 2x2u n ASN 151 Ca -0.18 -2.43 -0.09 0.00 -0.11 0.00 0.00 54.58 51.77 2x2u n ASN 151 Cb 0.49 -1.23 0.01 0.00 1.24 0.00 0.00 39.78 40.29 2x2u n ASN 151 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2x2u s THR 152 N 3.25 0.00 0.59 -0.44 -4.23 -1.26 -4.94 115.64 108.61 2x2u s THR 152 Ca 0.49 -1.03 -0.08 0.00 -1.18 0.00 0.00 61.69 59.89 2x2u s THR 152 Cb 0.13 -2.68 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 2x2u s THR 152 CO -0.03 0.00 0.94 -0.44 -0.54 0.00 0.00 174.62 174.55 2x2u s SER 153 N -3.05 5.85 0.38 3.99 0.01 -1.26 -1.24 113.70 118.39 2x2u s SER 153 Ca 0.15 0.99 -0.26 0.00 1.31 0.00 0.00 55.95 58.14 2x2u s SER 153 Cb -0.05 -2.03 -0.11 0.00 0.21 0.00 0.00 66.02 64.03 2x2u s SER 153 CO 0.11 -0.96 1.10 0.33 0.41 0.00 0.00 173.24 174.23 2x2u n PHE 154 N -2.62 1.54 -1.17 2.43 7.35 -1.26 -4.89 117.46 118.83 2x2u n PHE 154 Ca 0.04 0.57 -0.30 0.00 -0.76 0.00 0.00 57.45 57.01 2x2u n PHE 154 Cb 0.56 -2.29 0.14 0.00 0.35 0.00 0.00 39.48 38.24 2x2u n PHE 154 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2x2u s PRO 155 N -1.94 1.18 0.35 -7.13 0.04 -1.26 -4.93 135.00 121.31 2x2u s PRO 155 Ca 0.61 0.83 -0.28 0.00 0.04 0.00 0.00 61.00 62.20 2x2u s PRO 155 Cb -0.58 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.06 2x2u s PRO 155 CO 0.59 -2.30 1.40 0.00 0.04 0.00 0.00 177.00 176.73 2x2u s ALA 156 N -2.91 3.54 0.30 8.56 0.00 -1.26 -4.89 121.76 125.10 2x2u s ALA 156 Ca 0.64 1.42 0.06 0.00 0.00 0.00 0.00 51.96 54.08 2x2u s ALA 156 Cb -0.18 -3.55 0.72 0.00 0.00 0.00 0.00 23.12 20.11 2x2u s ALA 156 CO 0.57 -0.86 1.79 0.00 0.00 0.00 0.00 175.76 177.26 2x2u h SER 158 N 0.79 0.00 0.79 0.00 4.64 -2.02 -2.93 113.55 114.81 2x2u h SER 158 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 2x2u h SER 158 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2x2u h SER 158 CO -0.36 0.00 -0.08 -1.54 -0.87 0.00 0.00 176.83 173.98 2x2u n SER 159 N -2.39 0.12 -4.75 4.97 3.41 -0.24 -4.87 113.62 109.86 2x2u n SER 159 Ca 0.03 0.17 -0.39 0.00 -0.26 0.00 0.00 58.87 58.43 2x2u n SER 159 Cb 0.32 -0.31 -0.06 0.00 -0.26 0.00 0.00 64.21 63.90 2x2u n SER 159 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2x2u s LEU 160 N -2.87 4.38 0.49 1.04 1.43 -1.11 -5.03 118.68 117.00 2x2u s LEU 160 Ca 0.18 1.10 -0.06 0.00 -1.03 0.00 0.00 54.13 54.31 2x2u s LEU 160 Cb 0.19 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 2x2u s LEU 160 CO 0.54 0.05 0.81 -0.54 0.23 0.00 0.00 176.35 177.44 2x2u s LYS 161 N 0.09 3.57 0.26 1.70 3.01 -1.26 -4.88 119.74 122.22 2x2u s LYS 161 Ca 0.31 0.28 -0.02 0.00 -1.01 0.00 0.00 55.97 55.53 2x2u s LYS 161 Cb -0.17 -2.34 0.52 0.00 -1.01 0.00 0.00 37.83 34.82 2x2u s LYS 161 CO 0.16 -0.23 1.72 -1.35 0.51 0.00 0.00 175.35 176.15 2x2u h PRO 162 N 0.24 0.41 -0.81 -1.68 0.11 -1.97 -1.36 132.00 126.94 2x2u h PRO 162 Ca -0.47 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.70 2x2u h PRO 162 Cb 1.20 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 32.15 2x2u h PRO 162 CO 0.62 0.27 0.47 -0.09 -0.21 0.00 0.00 178.00 179.06 2x2u h ARG 163 N 0.42 0.80 0.00 1.05 9.65 -1.96 -1.69 114.38 122.65 2x2u h ARG 163 Ca 0.45 -0.05 -0.11 0.00 -1.10 0.00 0.00 59.98 59.17 2x2u h ARG 163 Cb 0.73 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 29.12 2x2u h ARG 163 CO -0.45 0.53 -0.52 0.93 2.80 0.00 0.00 179.97 183.26 2x2u h GLU 164 N 0.82 0.00 0.00 0.20 5.08 -1.54 -2.70 114.58 116.43 2x2u h GLU 164 Ca 0.38 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.62 2x2u h GLU 164 Cb 0.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2x2u h GLU 164 CO -0.22 0.52 -0.54 -0.07 -1.00 0.00 0.00 179.01 177.69 2x2u h LEU 165 N 0.00 0.00 0.00 1.33 3.38 -0.95 -3.41 115.31 115.67 2x2u h LEU 165 Ca -0.01 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 2x2u h LEU 165 Cb 1.28 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.99 2x2u h LEU 165 CO 0.07 0.54 -1.56 0.00 0.09 0.00 0.00 178.44 177.58 2x2u s PHE 167 N -2.49 1.15 0.96 0.00 0.08 -1.03 -4.66 117.98 112.01 2x2u s PHE 167 Ca -0.30 -0.95 -0.11 0.00 0.12 0.00 0.00 56.93 55.69 2x2u s PHE 167 Cb 0.08 -0.65 0.17 0.00 -0.57 0.00 0.00 43.02 42.06 2x2u s PHE 167 CO 0.47 -0.15 1.13 -2.14 -0.10 0.00 0.00 175.22 174.43 2x2u s PRO 168 N -3.87 0.64 0.28 0.24 0.02 -1.26 -4.65 135.00 126.41 2x2u s PRO 168 Ca 0.20 1.43 0.02 0.00 0.02 0.00 0.00 61.00 62.67 2x2u s PRO 168 Cb 0.05 -1.69 0.57 0.00 0.02 0.00 0.00 34.50 33.45 2x2u s PRO 168 CO 0.01 -2.85 1.83 1.49 -0.33 0.00 0.00 177.00 177.15 2x2u h GLU 169 N -2.02 0.93 -5.17 5.54 4.81 -1.93 -3.34 114.58 113.39 2x2u h GLU 169 Ca -0.46 -0.06 -0.65 0.00 -0.13 0.00 0.00 59.36 58.06 2x2u h GLU 169 Cb 1.28 -0.21 -0.25 0.00 0.63 0.00 0.00 28.75 30.20 2x2u h GLU 169 CO 0.43 0.62 -0.71 0.99 -0.73 0.00 0.00 179.01 179.61 2x2u s THR 170 N -5.95 3.50 0.50 0.32 2.01 -1.26 -5.10 115.64 109.66 2x2u s THR 170 Ca -0.12 -0.48 -0.23 0.00 0.31 0.00 0.00 61.69 61.18 2x2u s THR 170 Cb 0.22 -2.55 -0.06 0.00 0.01 0.00 0.00 72.50 70.12 2x2u s THR 170 CO 0.81 0.47 1.28 0.00 -0.69 0.00 0.00 174.62 176.49 2x2u s ARG 171 N 0.84 3.47 0.63 4.92 3.03 -1.26 -5.00 118.95 125.58 2x2u s ARG 171 Ca -0.02 2.07 -0.11 0.00 2.03 0.00 0.00 55.73 59.70 2x2u s ARG 171 Cb -0.15 -2.38 -0.03 0.00 -1.03 0.00 0.00 34.95 31.36 2x2u s ARG 171 CO 0.01 -0.87 1.03 -1.25 -1.13 0.00 0.00 175.30 173.10 2x2u s PRO 172 N -2.75 3.46 0.17 3.89 0.04 -1.26 -5.06 135.00 133.50 2x2u s PRO 172 Ca 0.67 0.82 0.05 0.00 0.04 0.00 0.00 61.00 62.59 2x2u s PRO 172 Cb -0.36 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 2x2u s PRO 172 CO 0.43 -0.68 -0.11 -1.54 0.04 0.00 0.00 177.00 175.15 2x2u s SER 173 N -3.97 2.07 0.18 6.66 1.04 -1.26 -4.24 113.70 114.17 2x2u s SER 173 Ca 0.56 -1.03 0.09 0.00 0.48 0.00 0.00 55.95 56.05 2x2u s SER 173 Cb -0.12 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 2x2u s SER 173 CO 0.52 -0.29 -0.19 -0.36 0.98 0.00 0.00 173.24 173.90 2x2u s PHE 174 N -3.21 1.93 -0.15 5.02 0.08 -0.55 -4.77 117.98 116.32 2x2u s PHE 174 Ca 0.20 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.81 2x2u s PHE 174 Cb 0.02 -0.95 0.02 0.00 -0.57 0.00 0.00 43.02 41.54 2x2u s PHE 174 CO 0.03 0.39 -0.16 1.03 -0.10 0.00 0.00 175.22 176.41 2x2u s ARG 175 N -2.88 2.49 -0.07 0.44 0.52 0.17 -1.55 118.95 118.07 2x2u s ARG 175 Ca 0.18 -0.64 -0.01 0.00 -0.52 0.00 0.00 55.73 54.74 2x2u s ARG 175 Cb -0.06 -2.20 0.03 0.00 0.52 0.00 0.00 34.95 33.24 2x2u s ARG 175 CO 0.08 -0.18 -0.02 0.42 0.02 0.00 0.00 175.30 175.62 2x2u s ILE 176 N 1.31 0.48 0.08 1.52 1.01 -0.74 -4.41 121.20 120.45 2x2u s ILE 176 Ca 0.02 0.03 -0.31 0.00 0.00 0.00 0.00 60.65 60.39 2x2u s ILE 176 Cb -0.13 -0.60 -0.06 0.00 0.01 0.00 0.00 42.46 41.67 2x2u s ILE 176 CO -0.09 0.27 1.26 -0.13 0.00 0.00 0.00 174.94 176.25 2x2u s ARG 177 N 1.76 4.40 0.37 2.79 0.52 -1.26 -0.04 118.95 127.49 2x2u s ARG 177 Ca 0.02 1.87 -0.28 0.00 -0.52 0.00 0.00 55.73 56.82 2x2u s ARG 177 Cb -0.13 -3.31 -0.11 0.00 0.52 0.00 0.00 34.95 31.92 2x2u s ARG 177 CO -0.05 -0.31 1.35 -0.85 0.02 0.00 0.00 175.30 175.46 2x2u n GLU 178 N 3.92 2.27 -1.68 3.54 0.28 0.57 -3.46 120.64 126.09 2x2u n GLU 178 Ca 0.10 0.80 -0.06 0.00 -0.16 0.00 0.00 57.16 57.84 2x2u n GLU 178 Cb 0.45 -2.45 -0.01 0.00 1.43 0.00 0.00 31.44 30.85 2x2u n GLU 178 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2x2u n ASN 179 N 0.55 -3.03 -4.40 -1.84 3.02 0.84 -4.16 115.26 106.25 2x2u n ASN 179 Ca 0.04 0.07 -0.23 0.00 -0.03 0.00 0.00 54.58 54.42 2x2u n ASN 179 Cb 0.38 -1.77 -0.11 0.00 -0.61 0.00 0.00 39.78 37.67 2x2u n ASN 179 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2x2u s ARG 180 N -3.47 1.46 0.42 3.52 1.81 -1.22 -4.99 118.95 116.48 2x2u s ARG 180 Ca 0.00 -1.56 -0.26 0.00 -1.72 0.00 0.00 55.73 52.19 2x2u s ARG 180 Cb 0.00 -1.56 -0.10 0.00 -0.45 0.00 0.00 34.95 32.85 2x2u s ARG 180 CO 0.00 0.31 1.34 -2.30 -0.68 0.00 0.00 175.30 173.97 2x2u n PRO 181 N -0.05 2.12 -1.08 3.54 -0.02 -1.26 -4.32 135.00 133.93 2x2u n PRO 181 Ca -0.10 0.75 -0.30 0.00 -2.02 0.00 0.00 63.50 61.83 2x2u n PRO 181 Cb 0.58 -2.49 0.14 0.00 -0.02 0.00 0.00 33.50 31.72 2x2u n PRO 181 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2x2u s PRO 182 N -2.25 1.27 0.00 0.52 0.04 -1.26 -4.40 135.00 128.92 2x2u s PRO 182 Ca 0.60 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.66 2x2u s PRO 182 Cb -0.49 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2x2u s PRO 182 CO 0.59 -2.28 0.00 0.41 0.04 0.00 0.00 177.00 175.75 2x2u n GLY 183 N -0.78 -0.92 3.70 0.56 0.00 -1.22 -4.88 105.19 101.65 2x2u n GLY 183 Ca 0.08 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 2x2u n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x2u s THR 184 N -2.00 4.85 0.00 2.61 2.01 -1.26 -0.92 115.64 120.93 2x2u s THR 184 Ca 0.00 2.02 0.00 0.00 0.31 0.00 0.00 61.69 64.02 2x2u s THR 184 Cb 0.00 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.21 2x2u s THR 184 CO 0.00 0.12 0.46 2.22 -0.69 0.00 0.00 174.62 176.73 2x2u n PHE 185 N 4.23 0.00 -3.52 4.92 1.16 -0.03 -4.69 117.46 119.52 2x2u n PHE 185 Ca 0.06 -0.05 -0.14 0.00 -1.87 0.00 0.00 57.45 55.45 2x2u n PHE 185 Cb 0.50 -0.01 -0.04 0.00 -1.61 0.00 0.00 39.48 38.33 2x2u n PHE 185 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 2x2u s HIS 186 N -0.11 -0.49 -0.02 2.97 5.04 -1.17 -4.79 115.29 116.73 2x2u s HIS 186 Ca 0.00 0.49 0.01 0.00 -1.54 0.00 0.00 55.06 54.02 2x2u s HIS 186 Cb 0.00 0.42 0.01 0.00 0.04 0.00 0.00 32.58 33.05 2x2u s HIS 186 CO 0.00 -0.71 -0.04 -1.14 -2.34 0.00 0.00 174.74 170.50 2x2u s GLN 187 N -2.79 0.59 0.11 2.88 -0.44 -1.26 -1.45 119.66 117.30 2x2u s GLN 187 Ca -0.03 -0.12 0.19 0.00 -2.50 0.00 0.00 55.36 52.89 2x2u s GLN 187 Cb -0.00 -0.61 -0.09 0.00 -1.64 0.00 0.00 33.01 30.67 2x2u s GLN 187 CO -0.04 0.00 0.90 1.19 0.50 0.00 0.00 175.29 177.84 2x2u n PHE 188 N 3.57 1.00 -2.56 1.67 3.72 0.82 -4.95 117.46 120.73 2x2u n PHE 188 Ca -0.20 0.32 -0.40 0.00 -0.05 0.00 0.00 57.45 57.12 2x2u n PHE 188 Cb 0.54 -1.05 -0.05 0.00 -0.94 0.00 0.00 39.48 37.98 2x2u n PHE 188 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2x2u s ARG 189 N -3.07 4.65 -0.35 -1.08 6.06 -1.26 -4.87 118.95 119.02 2x2u s ARG 189 Ca -0.02 1.68 -0.26 0.00 -2.50 0.00 0.00 55.73 54.63 2x2u s ARG 189 Cb 0.09 -3.13 0.01 0.00 0.06 0.00 0.00 34.95 31.98 2x2u s ARG 189 CO 0.80 0.26 0.94 -0.51 -2.50 0.00 0.00 175.30 174.29 2x2u s LEU 190 N -1.52 3.99 0.08 -0.88 1.43 -1.26 -4.94 118.68 115.57 2x2u s LEU 190 Ca 0.45 0.68 -0.15 0.00 -1.03 0.00 0.00 54.13 54.08 2x2u s LEU 190 Cb -0.29 -3.30 -0.15 0.00 0.03 0.00 0.00 46.19 42.48 2x2u s LEU 190 CO 0.37 -0.84 1.30 -0.07 0.23 0.00 0.00 176.35 177.33 2x2u h LEU 191 N 10.03 0.81 -1.43 1.79 3.38 -1.83 -1.29 115.31 126.76 2x2u h LEU 191 Ca -0.23 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 57.13 2x2u h LEU 191 Cb 1.08 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 2x2u h LEU 191 CO 0.98 1.28 0.32 -0.65 0.09 0.00 0.00 178.44 180.47 2x2u h PRO 192 N 0.38 0.71 -0.29 1.13 0.11 -1.72 -0.92 132.00 131.40 2x2u h PRO 192 Ca -0.03 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.96 2x2u h PRO 192 Cb 1.23 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2x2u h PRO 192 CO 0.13 0.49 -0.08 0.28 -0.21 0.00 0.00 178.00 178.60 2x2u h VAL 193 N 0.72 1.28 -0.54 3.15 2.07 -1.86 -1.33 116.25 119.75 2x2u h VAL 193 Ca 0.19 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.54 2x2u h VAL 193 Cb -0.04 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2x2u h VAL 193 CO -0.04 0.36 0.17 -0.61 0.02 0.00 0.00 177.57 177.48 2x2u h GLN 194 N 0.32 0.79 -0.03 1.57 4.15 -1.11 0.12 115.11 120.92 2x2u h GLN 194 Ca 0.07 -0.14 -0.07 0.00 0.77 0.00 0.00 58.65 59.29 2x2u h GLN 194 Cb 0.57 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.14 2x2u h GLN 194 CO 0.03 0.68 -0.24 0.35 -1.93 0.00 0.00 178.83 177.72 2x2u h PHE 195 N 0.78 0.31 0.00 3.99 3.57 -0.97 -3.10 116.94 121.52 2x2u h PHE 195 Ca 0.18 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2x2u h PHE 195 Cb 0.22 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.91 2x2u h PHE 195 CO 0.01 0.88 -0.97 1.28 -2.23 0.00 0.00 178.31 177.29 2x2u n LEU 196 N -4.51 0.75 -2.89 0.59 4.77 -0.52 -4.28 117.00 110.91 2x2u n LEU 196 Ca -0.09 0.24 -0.23 0.00 -0.03 0.00 0.00 56.01 55.91 2x2u n LEU 196 Cb 0.47 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 2x2u n LEU 196 CO 0.39 -0.12 0.03 0.00 -1.33 0.00 0.00 177.39 176.37 2x2u n PRO 198 N -0.14 0.11 0.02 0.00 -0.04 -1.17 -1.96 135.00 131.81 2x2u n PRO 198 Ca 0.29 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 64.24 2x2u n PRO 198 Cb 0.55 -1.71 0.56 0.00 -0.04 0.00 0.00 33.50 32.87 2x2u n PRO 198 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2x2u n GLN 199 N -1.91 0.05 -3.03 0.54 0.00 -1.26 -4.62 117.38 107.15 2x2u n GLN 199 Ca 0.03 0.06 -0.43 0.00 0.00 0.00 0.00 57.00 56.65 2x2u n GLN 199 Cb 0.20 -1.56 -0.06 0.00 0.00 0.00 0.00 30.24 28.82 2x2u n GLN 199 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2x2u s ILE 200 N -3.02 4.74 0.17 -0.39 1.01 -0.83 -5.04 121.20 117.83 2x2u s ILE 200 Ca 0.13 0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.79 2x2u s ILE 200 Cb 0.17 -4.26 -0.07 0.00 0.01 0.00 0.00 42.46 38.31 2x2u s ILE 200 CO 0.53 -0.64 1.02 -0.94 0.00 0.00 0.00 174.94 174.91 2x2u s SER 201 N 2.05 7.43 -0.04 3.58 1.04 -1.26 -4.92 113.70 121.58 2x2u s SER 201 Ca 0.26 1.96 0.01 0.00 0.48 0.00 0.00 55.95 58.66 2x2u s SER 201 Cb -0.13 -2.60 0.02 0.00 0.10 0.00 0.00 66.02 63.41 2x2u s SER 201 CO 0.20 -0.09 -0.03 -0.69 0.98 0.00 0.00 173.24 173.62 2x2u s VAL 202 N -0.36 0.40 0.09 5.02 1.01 -1.26 0.30 120.40 125.61 2x2u s VAL 202 Ca 0.47 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.42 2x2u s VAL 202 Cb -0.26 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 2x2u s VAL 202 CO 0.33 0.19 -0.07 0.00 0.00 0.00 0.00 175.10 175.55 2x2u s ALA 203 N 0.93 0.97 0.03 5.51 0.00 -0.08 -4.97 121.76 124.15 2x2u s ALA 203 Ca -0.11 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.59 2x2u s ALA 203 Cb -0.14 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 2x2u s ALA 203 CO -0.00 -0.18 -0.04 0.71 0.00 0.00 0.00 175.76 176.25 2x2u s TYR 204 N -3.19 0.33 0.15 0.00 2.02 -1.26 -0.61 117.35 114.79 2x2u s TYR 204 Ca 0.09 -0.57 -0.12 0.00 -0.37 0.00 0.00 57.07 56.09 2x2u s TYR 204 Cb 0.02 -0.23 0.01 0.00 -0.40 0.00 0.00 41.96 41.36 2x2u s TYR 204 CO -0.03 -0.19 0.35 -0.98 -1.57 0.00 0.00 175.55 173.12 2x2u s ARG 205 N -1.67 1.12 0.05 -0.62 1.70 -0.89 -4.79 118.95 113.85 2x2u s ARG 205 Ca -0.13 -0.95 -0.07 0.00 -0.47 0.00 0.00 55.73 54.10 2x2u s ARG 205 Cb -0.09 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.67 2x2u s ARG 205 CO -0.02 -0.43 0.33 -0.51 -1.08 0.00 0.00 175.30 173.60 2x2u s LEU 206 N -2.89 4.35 0.23 -1.89 1.43 -1.26 -1.06 118.68 117.59 2x2u s LEU 206 Ca 0.09 0.64 0.05 0.00 -1.03 0.00 0.00 54.13 53.88 2x2u s LEU 206 Cb 0.02 -2.88 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 2x2u s LEU 206 CO -0.06 0.20 0.33 -0.76 0.23 0.00 0.00 176.35 176.29 2x2u s LEU 207 N -1.95 4.27 -0.47 1.79 1.43 -0.04 -4.82 118.68 118.89 2x2u s LEU 207 Ca 0.31 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 2x2u s LEU 207 Cb -0.13 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.28 2x2u s LEU 207 CO 0.18 -0.05 0.00 -0.62 0.23 0.00 0.00 176.35 176.09 2x2u n GLU 208 N -1.28 -0.40 -0.07 1.70 1.02 -1.26 -1.53 120.64 118.82 2x2u n GLU 208 Ca -0.09 0.59 0.12 0.00 -0.02 0.00 0.00 57.16 57.76 2x2u n GLU 208 Cb 0.57 -4.25 0.22 0.00 -0.02 0.00 0.00 31.44 27.96 2x2u n GLU 208 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2x2u n GLY 209 N -2.27 1.04 3.70 0.62 0.00 -1.26 -4.88 105.19 102.14 2x2u n GLY 209 Ca -0.04 -0.65 -0.44 0.00 0.00 0.00 0.00 46.02 44.89 2x2u n GLY 209 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2x2u n GLU 210 N 1.14 2.54 -0.22 1.61 0.00 -1.26 0.71 120.64 125.15 2x2u n GLU 210 Ca 0.17 0.92 0.00 0.00 0.00 0.00 0.00 57.16 58.24 2x2u n GLU 210 Cb 0.54 -2.73 0.00 0.00 0.00 0.00 0.00 31.44 29.25 2x2u n GLU 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2x2u n GLY 211 N 3.77 2.04 3.95 -1.84 0.00 -1.26 -5.02 105.19 106.84 2x2u n GLY 211 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 2x2u n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x2u s LEU 212 N 0.00 4.22 0.00 0.99 1.43 0.22 -4.99 118.68 120.55 2x2u s LEU 212 Ca 0.00 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 2x2u s LEU 212 Cb 0.00 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.17 2x2u s LEU 212 CO 0.00 -0.11 0.31 -0.81 0.23 0.00 0.00 176.35 175.98 2x2u n PRO 213 N -1.24 0.61 -4.58 1.29 -0.04 -1.26 -4.86 135.00 124.92 2x2u n PRO 213 Ca -0.07 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.05 2x2u n PRO 213 Cb 0.56 -1.29 -0.11 0.00 -0.04 0.00 0.00 33.50 32.61 2x2u n PRO 213 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2x2u s PHE 214 N -1.03 2.97 -0.10 0.54 0.08 -1.26 0.45 117.98 119.63 2x2u s PHE 214 Ca 0.00 0.02 0.02 0.00 0.12 0.00 0.00 56.93 57.09 2x2u s PHE 214 Cb 0.00 -1.74 0.01 0.00 -0.57 0.00 0.00 43.02 40.73 2x2u s PHE 214 CO 0.00 0.33 -0.14 0.50 -0.10 0.00 0.00 175.22 175.81 2x2u s ARG 215 N -0.75 2.05 -0.29 0.44 3.52 -0.12 -4.91 118.95 118.89 2x2u s ARG 215 Ca 0.11 -0.51 -0.01 0.00 -0.13 0.00 0.00 55.73 55.20 2x2u s ARG 215 Cb -0.11 -1.74 0.09 0.00 -1.56 0.00 0.00 34.95 31.63 2x2u s ARG 215 CO 0.02 -0.04 0.09 0.45 -0.81 0.00 0.00 175.30 175.00 2x2u s SER 216 N 0.92 3.85 0.56 -2.12 0.15 -1.26 -1.01 113.70 114.79 2x2u s SER 216 Ca -0.09 -1.50 -0.13 0.00 0.70 0.00 0.00 55.95 54.93 2x2u s SER 216 Cb -0.15 -0.81 -0.06 0.00 -1.71 0.00 0.00 66.02 63.29 2x2u s SER 216 CO 0.00 -0.40 0.99 0.00 1.20 0.00 0.00 173.24 175.03 2x2u s ALA 217 N 1.67 3.10 0.24 5.45 0.00 -1.26 -4.69 121.76 126.28 2x2u s ALA 217 Ca 0.08 0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.75 2x2u s ALA 217 Cb -0.17 -3.07 -0.14 0.00 0.00 0.00 0.00 23.12 19.74 2x2u s ALA 217 CO -0.23 -0.45 1.18 -2.30 0.00 0.00 0.00 175.76 173.96 2x2u n PRO 218 N -2.14 1.51 -0.82 0.00 -0.02 -1.26 0.79 135.00 133.06 2x2u n PRO 218 Ca 0.06 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2x2u n PRO 218 Cb 0.54 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 2x2u n PRO 218 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2x2u n ASP 219 N 1.67 -2.80 -4.80 2.55 8.00 -1.26 -4.99 116.55 114.92 2x2u n ASP 219 Ca 0.11 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.23 2x2u n ASP 219 Cb 0.30 -2.41 -0.06 0.00 -0.02 0.00 0.00 41.12 38.93 2x2u n ASP 219 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2x2u s SER 220 N -2.11 7.16 0.00 -2.24 0.15 0.24 -4.96 113.70 111.93 2x2u s SER 220 Ca 0.00 1.42 0.24 0.00 0.70 0.00 0.00 55.95 58.32 2x2u s SER 220 Cb 0.00 -2.42 0.30 0.00 -1.71 0.00 0.00 66.02 62.19 2x2u s SER 220 CO 0.00 0.18 1.31 0.18 1.20 0.00 0.00 173.24 176.11 2x2u n LEU 221 N 1.34 2.60 -4.92 3.45 4.77 -1.26 -4.64 117.00 118.35 2x2u n LEU 221 Ca -0.06 -0.88 -0.29 0.00 -0.03 0.00 0.00 56.01 54.75 2x2u n LEU 221 Cb 0.50 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 2x2u n LEU 221 CO 0.43 0.44 -0.06 -1.61 -1.33 0.00 0.00 177.39 175.27 2x2u s GLU 222 N -2.08 3.50 -0.04 3.23 2.02 -1.26 -0.13 118.70 123.94 2x2u s GLU 222 Ca 0.28 -0.37 0.06 0.00 0.02 0.00 0.00 54.97 54.95 2x2u s GLU 222 Cb 0.20 -2.93 -0.01 0.00 0.10 0.00 0.00 34.13 31.49 2x2u s GLU 222 CO 0.35 0.51 -0.22 0.08 0.02 0.00 0.00 175.26 176.00 2x2u s VAL 223 N -1.68 1.76 0.10 2.63 1.01 -0.53 -4.40 120.40 119.29 2x2u s VAL 223 Ca 0.37 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2x2u s VAL 223 Cb -0.12 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2x2u s VAL 223 CO 0.28 0.50 -0.07 -0.94 0.00 0.00 0.00 175.10 174.87 2x2u s SER 224 N -0.17 1.13 0.38 3.32 1.04 -0.18 -0.85 113.70 118.36 2x2u s SER 224 Ca -0.01 -0.98 -0.06 0.00 0.48 0.00 0.00 55.95 55.38 2x2u s SER 224 Cb -0.12 0.09 -0.05 0.00 0.10 0.00 0.00 66.02 66.05 2x2u s SER 224 CO 0.02 -0.45 0.68 0.42 0.98 0.00 0.00 173.24 174.89 2x2u s THR 225 N -3.51 4.93 -0.11 2.02 -4.23 -0.10 -0.95 115.64 113.69 2x2u s THR 225 Ca 0.11 0.20 0.18 0.00 -1.18 0.00 0.00 61.69 60.99 2x2u s THR 225 Cb 0.05 -3.78 -0.26 0.00 1.34 0.00 0.00 72.50 69.85 2x2u s THR 225 CO -0.04 -0.55 0.22 0.54 -0.54 0.00 0.00 174.62 174.25 2x2u n ARG 226 N -1.48 0.85 -3.79 3.99 1.74 0.17 -3.39 116.66 114.75 2x2u n ARG 226 Ca -0.00 -0.08 -0.09 0.00 -0.77 0.00 0.00 57.85 56.90 2x2u n ARG 226 Cb 0.54 -1.46 -0.04 0.00 -1.02 0.00 0.00 32.46 30.48 2x2u n ARG 226 CO 0.00 0.00 0.00 1.67 -1.52 0.00 0.00 177.63 177.78 2x2u s TRP 227 N -2.83 -0.01 0.48 -1.55 -2.14 -1.26 -4.91 118.94 106.72 2x2u s TRP 227 Ca -0.08 -0.35 -0.24 0.00 2.66 0.00 0.00 56.10 58.09 2x2u s TRP 227 Cb 0.08 0.31 -0.08 0.00 -3.10 0.00 0.00 33.47 30.69 2x2u s TRP 227 CO 0.77 -0.90 1.34 0.00 -2.66 0.00 0.00 176.95 175.50 2x2u n ALA 228 N -0.32 1.57 -1.97 2.67 0.00 -1.26 -4.58 120.51 116.62 2x2u n ALA 228 Ca -0.09 0.20 -0.22 0.00 0.00 0.00 0.00 53.44 53.33 2x2u n ALA 228 Cb 0.62 -2.33 0.05 0.00 0.00 0.00 0.00 19.45 17.80 2x2u n ALA 228 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2x2u s LEU 229 N -2.56 3.17 -0.22 0.00 1.43 -1.26 -4.81 118.68 114.43 2x2u s LEU 229 Ca 0.65 0.01 -0.07 0.00 -1.03 0.00 0.00 54.13 53.69 2x2u s LEU 229 Cb -0.46 -2.79 0.10 0.00 0.03 0.00 0.00 46.19 43.08 2x2u s LEU 229 CO 0.55 -1.30 0.46 -0.62 0.23 0.00 0.00 176.35 175.67 2x2u s ASP 230 N -4.48 -0.42 0.54 2.29 2.15 -1.26 -0.11 116.67 115.39 2x2u s ASP 230 Ca 0.59 1.04 0.29 0.00 0.43 0.00 0.00 52.55 54.90 2x2u s ASP 230 Cb -0.10 1.53 1.57 0.00 -0.30 0.00 0.00 42.92 45.62 2x2u s ASP 230 CO 0.40 -0.24 2.12 0.03 -0.17 0.00 0.00 175.17 177.32 2x2u h ARG 231 N 8.14 0.00 -0.55 4.34 3.08 -1.91 -1.84 114.38 125.64 2x2u h ARG 231 Ca -0.17 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.80 2x2u h ARG 231 Cb 1.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 2x2u h ARG 231 CO 0.13 0.09 -0.00 0.93 -1.07 0.00 0.00 179.97 180.04 2x2u h GLU 232 N 0.00 0.94 0.06 0.04 4.39 -2.01 -3.27 114.58 114.73 2x2u h GLU 232 Ca -0.00 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.41 2x2u h GLU 232 Cb 0.25 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2x2u h GLU 232 CO 0.01 0.94 -0.03 -0.56 -1.16 0.00 0.00 179.01 178.21 2x2u h GLN 233 N 0.87 -0.08 -2.95 2.33 -0.00 -1.79 -3.47 115.11 110.02 2x2u h GLN 233 Ca 0.16 0.01 -0.18 0.00 -0.00 0.00 0.00 58.65 58.64 2x2u h GLN 233 Cb 0.52 0.02 -0.29 0.00 -0.00 0.00 0.00 27.48 27.73 2x2u h GLN 233 CO 0.03 0.52 -0.45 1.03 -0.00 0.00 0.00 178.83 179.96 2x2u s ARG 234 N -3.09 0.24 -0.03 0.06 1.81 -0.83 -5.05 118.95 112.06 2x2u s ARG 234 Ca -0.15 0.58 0.14 0.00 -1.72 0.00 0.00 55.73 54.58 2x2u s ARG 234 Cb -0.00 -0.10 -0.21 0.00 -0.45 0.00 0.00 34.95 34.19 2x2u s ARG 234 CO 0.56 -0.16 0.66 -1.91 -0.68 0.00 0.00 175.30 173.76 2x2u n GLU 235 N 4.21 0.63 -3.79 3.54 2.13 -1.25 -4.01 120.64 122.10 2x2u n GLU 235 Ca -0.25 0.26 -0.13 0.00 0.66 0.00 0.00 57.16 57.70 2x2u n GLU 235 Cb 0.54 -1.78 -0.13 0.00 0.27 0.00 0.00 31.44 30.34 2x2u n GLU 235 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2x2u s LYS 236 N -2.67 0.15 0.08 5.31 1.02 -1.26 -0.68 119.74 121.69 2x2u s LYS 236 Ca -0.05 0.28 0.10 0.00 0.02 0.00 0.00 55.97 56.33 2x2u s LYS 236 Cb 0.08 -0.01 -0.03 0.00 -0.52 0.00 0.00 37.83 37.34 2x2u s LYS 236 CO 0.82 -0.08 -0.27 0.71 -0.92 0.00 0.00 175.35 175.62 2x2u s TYR 237 N 0.51 2.31 -0.38 3.18 2.02 0.14 -4.98 117.35 120.16 2x2u s TYR 237 Ca -0.04 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.27 2x2u s TYR 237 Cb -0.05 -1.33 0.13 0.00 -0.40 0.00 0.00 41.96 40.32 2x2u s TYR 237 CO -0.02 0.22 0.21 -1.21 -1.57 0.00 0.00 175.55 173.17 2x2u s GLU 238 N -1.60 0.86 0.55 -0.62 2.02 -1.26 -0.25 118.70 118.40 2x2u s GLU 238 Ca 0.13 -1.56 -0.05 0.00 0.02 0.00 0.00 54.97 53.51 2x2u s GLU 238 Cb -0.10 -1.79 0.12 0.00 0.10 0.00 0.00 34.13 32.46 2x2u s GLU 238 CO 0.04 -1.16 0.75 1.28 0.02 0.00 0.00 175.26 176.19 2x2u n LEU 239 N 3.96 0.00 -4.13 1.80 4.77 -0.60 -4.84 117.00 117.95 2x2u n LEU 239 Ca 0.09 -1.17 -0.32 0.00 -0.03 0.00 0.00 56.01 54.58 2x2u n LEU 239 Cb 0.37 -0.54 -0.16 0.00 -2.33 0.00 0.00 43.42 40.75 2x2u n LEU 239 CO 0.18 -0.96 -0.53 -0.69 -1.33 0.00 0.00 177.39 174.06 2x2u s VAL 240 N -2.39 1.92 -0.06 4.08 1.01 -0.58 -0.89 120.40 123.48 2x2u s VAL 240 Ca 0.46 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 2x2u s VAL 240 Cb -0.02 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 2x2u s VAL 240 CO 0.31 0.52 0.50 0.00 0.00 0.00 0.00 175.10 176.43 2x2u s ALA 241 N 0.93 3.52 -0.13 5.51 0.00 0.52 -0.86 121.76 131.25 2x2u s ALA 241 Ca -0.05 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.79 2x2u s ALA 241 Cb -0.15 -2.62 0.02 0.00 0.00 0.00 0.00 23.12 20.37 2x2u s ALA 241 CO -0.03 0.15 -0.17 0.08 0.00 0.00 0.00 175.76 175.79 2x2u s VAL 242 N 0.04 1.69 -0.11 0.00 1.01 -0.23 -1.08 120.40 121.72 2x2u s VAL 242 Ca 0.27 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 2x2u s VAL 242 Cb -0.16 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 2x2u s VAL 242 CO 0.13 0.48 -0.07 0.00 0.00 0.00 0.00 175.10 175.64 2x2u s THR 244 N -0.16 3.03 -0.07 0.00 2.01 0.22 -1.60 115.64 119.07 2x2u s THR 244 Ca 0.02 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.37 2x2u s THR 244 Cb -0.13 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 2x2u s THR 244 CO 0.03 0.46 0.09 -0.69 -0.69 0.00 0.00 174.62 173.82 2x2u s VAL 245 N 1.35 4.97 0.00 3.82 1.01 -0.10 -0.90 120.40 130.56 2x2u s VAL 245 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.90 2x2u s VAL 245 Cb -0.14 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2x2u s VAL 245 CO -0.05 0.50 0.00 1.41 0.00 0.00 0.00 175.10 176.96 2x2u n HIS 246 N 1.67 0.00 0.00 5.22 8.25 0.15 -1.82 115.22 128.69 2x2u n HIS 246 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 2x2u n HIS 246 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 2x2u n HIS 246 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2x2u n ARG 250 N 9.58 0.00 -1.95 -0.41 0.00 -1.26 -4.82 116.66 117.80 2x2u n ARG 250 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.45 2x2u n ARG 250 Cb 0.00 -1.96 -0.00 0.00 0.00 0.00 0.00 32.46 30.50 2x2u n ARG 250 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2x2u s GLU 251 N 0.00 3.95 0.02 -0.14 2.02 -1.26 -5.05 118.70 118.25 2x2u s GLU 251 Ca 0.00 2.30 0.03 0.00 0.02 0.00 0.00 54.97 57.31 2x2u s GLU 251 Cb 0.00 -2.80 -0.01 0.00 0.10 0.00 0.00 34.13 31.42 2x2u s GLU 251 CO 0.00 -0.55 -0.09 -1.21 0.02 0.00 0.00 175.26 173.43 2x2u s GLU 252 N -2.23 0.62 -0.02 1.61 2.02 -0.75 -4.99 118.70 114.95 2x2u s GLU 252 Ca 0.56 -0.51 0.08 0.00 0.02 0.00 0.00 54.97 55.13 2x2u s GLU 252 Cb -0.41 -0.54 -0.02 0.00 0.10 0.00 0.00 34.13 33.26 2x2u s GLU 252 CO 0.53 0.13 -0.25 0.08 0.02 0.00 0.00 175.26 175.78 2x2u s VAL 253 N -0.68 1.98 -0.02 2.63 1.01 -1.26 -0.92 120.40 123.14 2x2u s VAL 253 Ca -0.01 -1.08 0.04 0.00 0.00 0.00 0.00 61.98 60.92 2x2u s VAL 253 Cb -0.06 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 2x2u s VAL 253 CO 0.00 0.55 -0.15 -0.69 0.00 0.00 0.00 175.10 174.82 2x2u s VAL 254 N -0.60 1.18 0.04 2.92 1.01 -0.62 -4.98 120.40 119.35 2x2u s VAL 254 Ca 0.10 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.55 2x2u s VAL 254 Cb -0.10 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 2x2u s VAL 254 CO -0.01 0.34 -0.24 -0.04 0.00 0.00 0.00 175.10 175.15 2x2u s MET 255 N -0.15 1.61 0.03 2.72 -1.94 -1.26 -0.08 119.30 120.22 2x2u s MET 255 Ca 0.02 -1.03 -0.03 0.00 -1.71 0.00 0.00 55.69 52.94 2x2u s MET 255 Cb -0.08 -1.76 -0.02 0.00 2.01 0.00 0.00 34.83 34.99 2x2u s MET 255 CO 0.00 0.45 0.04 0.14 -0.01 0.00 0.00 175.02 175.64 2x2u s VAL 256 N -0.80 0.14 0.76 -6.03 -7.23 -0.24 -4.99 120.40 102.01 2x2u s VAL 256 Ca 0.10 -1.16 -0.13 0.00 -1.81 0.00 0.00 61.98 58.98 2x2u s VAL 256 Cb -0.09 -0.80 0.05 0.00 0.56 0.00 0.00 36.38 36.10 2x2u s VAL 256 CO 0.02 -0.64 1.14 -2.84 -0.31 0.00 0.00 175.10 172.47 2x2u s PRO 257 N -2.46 2.15 -0.51 4.82 0.02 -1.26 -0.35 135.00 137.41 2x2u s PRO 257 Ca -0.06 1.45 0.04 0.00 0.02 0.00 0.00 61.00 62.44 2x2u s PRO 257 Cb -0.02 -1.86 0.16 0.00 0.02 0.00 0.00 34.50 32.79 2x2u s PRO 257 CO -0.04 -1.77 0.36 0.12 -0.33 0.00 0.00 177.00 175.34 2x2u s PHE 258 N -2.47 2.07 0.15 6.54 5.36 -0.07 -4.65 117.98 124.92 2x2u s PHE 258 Ca 0.67 -2.64 -0.16 0.00 -0.96 0.00 0.00 56.93 53.84 2x2u s PHE 258 Cb -0.22 -1.72 -0.07 0.00 -0.34 0.00 0.00 43.02 40.67 2x2u s PHE 258 CO 0.49 -0.73 0.59 -1.25 -1.46 0.00 0.00 175.22 172.86 2x2u s PRO 259 N -0.29 4.07 -0.08 10.12 0.05 -1.26 -1.55 135.00 146.05 2x2u s PRO 259 Ca 0.26 0.60 -0.00 0.00 0.05 0.00 0.00 61.00 61.91 2x2u s PRO 259 Cb -0.07 -2.96 0.02 0.00 0.05 0.00 0.00 34.50 31.54 2x2u s PRO 259 CO -0.13 0.48 -0.04 0.08 0.05 0.00 0.00 177.00 177.45 2x2u s VAL 260 N -1.43 0.64 -0.21 -0.36 1.01 0.66 -1.48 120.40 119.24 2x2u s VAL 260 Ca 0.38 -0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.18 2x2u s VAL 260 Cb -0.16 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 2x2u s VAL 260 CO 0.19 0.29 0.12 -0.89 0.00 0.00 0.00 175.10 174.82 2x2u s THR 261 N 1.61 5.26 -0.32 3.92 2.01 -0.60 0.26 115.64 127.79 2x2u s THR 261 Ca 0.01 0.14 -0.26 0.00 0.31 0.00 0.00 61.69 61.89 2x2u s THR 261 Cb -0.13 -3.41 0.01 0.00 0.01 0.00 0.00 72.50 68.98 2x2u s THR 261 CO -0.05 0.42 0.91 -0.69 -0.69 0.00 0.00 174.62 174.53 2x2u s VAL 262 N 0.53 4.66 0.40 3.82 1.01 0.14 -1.79 120.40 129.17 2x2u s VAL 262 Ca 0.07 1.38 -0.02 0.00 0.00 0.00 0.00 61.98 63.41 2x2u s VAL 262 Cb -0.12 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 2x2u s VAL 262 CO -0.00 -0.38 0.64 -0.31 0.00 0.00 0.00 175.10 175.05 2x2u s TYR 263 N 3.28 3.51 0.43 5.22 2.02 0.94 -4.86 117.35 127.89 2x2u s TYR 263 Ca 0.38 0.51 -0.26 0.00 -0.37 0.00 0.00 57.07 57.33 2x2u s TYR 263 Cb -0.13 -2.06 -0.09 0.00 -0.40 0.00 0.00 41.96 39.28 2x2u s TYR 263 CO 0.14 -0.05 1.43 0.34 -1.57 0.00 0.00 175.55 175.85 2x2u s ASP 264 N -4.07 5.99 0.62 2.29 -1.08 -1.26 -0.32 116.67 118.84 2x2u s ASP 264 Ca 0.43 2.93 0.27 0.00 -0.52 0.00 0.00 52.55 55.66 2x2u s ASP 264 Cb -0.10 -2.66 1.37 0.00 -1.46 0.00 0.00 42.92 40.08 2x2u s ASP 264 CO 0.39 -1.10 1.78 -0.33 0.52 0.00 0.00 175.17 176.44 2x2u h GLU 265 N 2.47 0.00 0.00 4.34 5.08 -1.92 -3.36 114.58 121.20 2x2u h GLU 265 Ca -0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2x2u h GLU 265 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2x2u h GLU 265 CO 0.62 0.00 -0.85 -0.25 -1.00 0.00 0.00 179.01 177.53 2x2u n ASP 266 N -3.28 3.53 -4.77 1.42 8.00 -1.26 -5.02 116.55 115.17 2x2u n ASP 266 Ca 0.05 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.17 2x2u n ASP 266 Cb 0.66 0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.79 2x2u n ASP 266 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2x2u s ASP 267 N -3.68 6.86 0.04 -2.24 2.15 -1.26 -4.96 116.67 113.58 2x2u s ASP 267 Ca 0.00 2.20 0.22 0.00 0.43 0.00 0.00 52.55 55.40 2x2u s ASP 267 Cb 0.00 -2.61 -0.06 0.00 -0.30 0.00 0.00 42.92 39.95 2x2u s ASP 267 CO 0.00 -0.43 0.90 -1.20 -0.17 0.00 0.00 175.17 174.28 2x2u n SER 268 N 0.38 0.55 -4.76 -0.34 7.64 -1.26 -4.77 113.62 111.05 2x2u n SER 268 Ca 0.03 -0.19 -0.40 0.00 1.01 0.00 0.00 58.87 59.32 2x2u n SER 268 Cb 0.47 1.02 -0.03 0.00 -1.01 0.00 0.00 64.21 64.66 2x2u n SER 268 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2x2u s ALA 269 N -3.26 3.40 0.46 -0.43 0.00 -1.26 -4.68 121.76 115.99 2x2u s ALA 269 Ca 0.01 1.05 -0.23 0.00 0.00 0.00 0.00 51.96 52.78 2x2u s ALA 269 Cb 0.14 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 2x2u s ALA 269 CO 0.83 -0.40 1.22 -1.25 0.00 0.00 0.00 175.76 176.16 2x2u s PRO 270 N -1.71 3.73 0.15 0.00 0.04 -1.26 -5.03 135.00 130.92 2x2u s PRO 270 Ca 0.48 1.91 -0.14 0.00 0.04 0.00 0.00 61.00 63.30 2x2u s PRO 270 Cb -0.35 -2.47 -0.07 0.00 0.04 0.00 0.00 34.50 31.65 2x2u s PRO 270 CO 0.45 -0.62 0.54 -1.21 0.04 0.00 0.00 177.00 176.21 2x2u s GLU 271 N -2.61 3.96 0.53 4.56 0.41 -1.26 -5.05 118.70 119.23 2x2u s GLU 271 Ca 0.63 0.46 -0.21 0.00 -0.41 0.00 0.00 54.97 55.44 2x2u s GLU 271 Cb -0.32 -2.91 -0.07 0.00 -1.78 0.00 0.00 34.13 29.04 2x2u s GLU 271 CO 0.39 0.47 1.03 1.19 -0.49 0.00 0.00 175.26 177.85 2x2u n PHE 272 N 0.74 1.14 -4.87 1.61 3.72 -1.26 -5.02 117.46 113.51 2x2u n PHE 272 Ca -0.05 0.47 -0.26 0.00 -0.05 0.00 0.00 57.45 57.56 2x2u n PHE 272 Cb 0.52 -2.20 -0.16 0.00 -0.94 0.00 0.00 39.48 36.70 2x2u n PHE 272 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2x2u s GLU 273 N -2.48 1.76 0.00 -1.08 2.02 -1.26 -5.14 118.70 112.51 2x2u s GLU 273 Ca 0.70 -0.64 0.09 0.00 0.02 0.00 0.00 54.97 55.14 2x2u s GLU 273 Cb -0.46 -1.56 0.07 0.00 0.10 0.00 0.00 34.13 32.28 2x2u s GLU 273 CO 0.51 0.29 0.79 0.09 0.02 0.00 0.00 175.26 176.96