#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hw2 n THR 22 N 0.00 0.77 -1.65 5.53 -2.24 -1.26 -4.86 114.28 110.57 3hw2 n THR 22 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 3hw2 n THR 22 Cb 0.00 -0.88 0.09 0.00 -2.10 0.00 0.00 70.33 67.44 3hw2 n THR 22 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hw2 s LYS 23 N 0.03 2.12 0.58 -0.78 1.02 -1.26 -5.04 119.74 116.41 3hw2 s LYS 23 Ca 0.00 0.50 -0.16 0.00 0.02 0.00 0.00 55.97 56.34 3hw2 s LYS 23 Cb 0.00 -1.93 -0.05 0.00 -0.52 0.00 0.00 37.83 35.33 3hw2 s LYS 23 CO 0.00 -1.57 1.04 -1.21 -0.92 0.00 0.00 175.35 172.69 3hw2 s GLU 24 N -5.26 3.47 0.05 1.68 0.41 -1.26 -4.79 118.70 113.01 3hw2 s GLU 24 Ca 0.61 1.13 -0.10 0.00 -0.41 0.00 0.00 54.97 56.19 3hw2 s GLU 24 Cb -0.13 -2.06 -0.02 0.00 -1.78 0.00 0.00 34.13 30.14 3hw2 s GLU 24 CO 0.53 -0.68 1.16 0.00 -0.49 0.00 0.00 175.26 175.78 3hw2 n ALA 25 N -1.96 -0.21 0.22 5.21 0.00 -1.26 -0.66 120.51 121.85 3hw2 n ALA 25 Ca 0.08 0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.91 3hw2 n ALA 25 Cb 0.53 0.28 0.40 0.00 0.00 0.00 0.00 19.45 20.66 3hw2 n ALA 25 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 3hw2 h TRP 26 N 0.00 0.00 0.73 0.00 4.06 -1.99 -2.97 115.95 115.77 3hw2 h TRP 26 Ca 0.05 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.97 3hw2 h TRP 26 Cb 0.13 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.29 3hw2 h TRP 26 CO -0.95 0.17 -0.43 2.35 -3.56 0.00 0.00 178.44 176.02 3hw2 h TRP 27 N 0.00 -1.14 -0.60 0.49 2.91 -1.60 0.10 115.95 116.12 3hw2 h TRP 27 Ca -0.00 -0.01 0.12 0.00 1.13 0.00 0.00 58.89 60.12 3hw2 h TRP 27 Cb 0.82 0.40 -0.12 0.00 -0.51 0.00 0.00 29.16 29.76 3hw2 h TRP 27 CO 0.00 -0.65 -0.22 0.87 -1.03 0.00 0.00 178.44 177.41 3hw2 h LYS 28 N -1.08 -0.07 0.61 2.65 1.57 -0.79 0.23 116.57 119.69 3hw2 h LYS 28 Ca -0.09 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3hw2 h LYS 28 Cb 0.86 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 3hw2 h LYS 28 CO 0.11 -0.05 -0.51 0.28 -0.57 0.00 0.00 179.45 178.72 3hw2 h VAL 29 N -0.07 0.01 -0.46 0.50 2.07 -1.41 -1.31 116.25 115.57 3hw2 h VAL 29 Ca 0.27 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.89 3hw2 h VAL 29 Cb 0.50 0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 30.19 3hw2 h VAL 29 CO -0.65 0.00 -0.12 0.25 0.02 0.00 0.00 177.57 177.07 3hw2 h LEU 30 N -1.09 -0.45 -0.49 2.57 5.85 0.03 0.70 115.31 122.43 3hw2 h LEU 30 Ca -0.08 0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.88 3hw2 h LEU 30 Cb 0.91 0.29 -0.10 0.00 0.37 0.00 0.00 40.66 42.14 3hw2 h LEU 30 CO -0.01 -0.16 -0.28 -0.25 -0.34 0.00 0.00 178.44 177.41 3hw2 h TRP 31 N -0.01 -0.73 0.00 1.25 -0.00 -0.45 -1.50 115.95 114.51 3hw2 h TRP 31 Ca 0.22 0.06 0.00 0.00 -0.00 0.00 0.00 58.89 59.17 3hw2 h TRP 31 Cb 0.35 0.40 0.00 0.00 -0.00 0.00 0.00 29.16 29.90 3hw2 h TRP 31 CO -0.40 -0.35 0.00 -1.91 -0.00 0.00 0.00 178.44 175.78 3hw2 n GLU 32 N -5.42 0.10 -0.04 2.65 4.07 0.23 0.15 120.64 122.37 3hw2 n GLU 32 Ca 0.03 0.58 0.08 0.00 -0.06 0.00 0.00 57.16 57.79 3hw2 n GLU 32 Cb 0.33 -1.81 0.09 0.00 -0.06 0.00 0.00 31.44 29.99 3hw2 n GLU 32 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3hw2 n LYS 33 N -2.02 1.45 0.00 5.31 5.02 -0.58 -4.60 118.16 122.75 3hw2 n LYS 33 Ca -0.01 -1.58 0.00 0.00 -2.02 0.00 0.00 58.31 54.71 3hw2 n LYS 33 Cb 0.03 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3hw2 n LYS 33 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3hw2 n ILE 34 N 0.89 0.00 0.24 -0.18 5.41 0.77 -4.79 119.36 121.70 3hw2 n ILE 34 Ca 0.10 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.86 3hw2 n ILE 34 Cb 0.41 -0.08 0.03 0.00 -0.71 0.00 0.00 39.64 39.28 3hw2 n ILE 34 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 3hw2 h LYS 35 N 0.00 0.00 -0.20 0.38 2.10 0.12 0.25 116.57 119.23 3hw2 h LYS 35 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hw2 h LYS 35 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 3hw2 h LYS 35 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 3hw2 n ASP 36 N -2.11 2.99 0.07 7.07 8.00 -1.26 -4.05 116.55 127.26 3hw2 n ASP 36 Ca -0.00 -2.53 -0.02 0.00 0.71 0.00 0.00 54.79 52.95 3hw2 n ASP 36 Cb 0.84 -0.33 -0.06 0.00 -0.02 0.00 0.00 41.12 41.55 3hw2 n ASP 36 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3hw2 h PHE 37 N 1.25 0.00 -3.32 1.24 0.04 -0.84 -3.47 116.94 111.83 3hw2 h PHE 37 Ca 0.00 0.00 -0.64 0.00 2.80 0.00 0.00 57.97 60.13 3hw2 h PHE 37 Cb 0.98 0.00 -0.23 0.00 2.20 0.00 0.00 35.95 38.90 3hw2 h PHE 37 CO 0.24 0.71 -0.70 -0.06 -0.60 0.00 0.00 178.31 177.90 3hw2 s PHE 38 N -2.84 2.96 0.18 -0.55 0.40 -1.26 -1.49 117.98 115.38 3hw2 s PHE 38 Ca 0.00 -0.39 0.07 0.00 -0.60 0.00 0.00 56.93 56.02 3hw2 s PHE 38 Cb 0.09 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.66 3hw2 s PHE 38 CO 0.79 -0.07 0.03 -0.59 0.70 0.00 0.00 175.22 176.07 3hw2 s PHE 39 N 0.32 2.89 0.00 0.36 -0.12 -1.26 -4.35 117.98 115.81 3hw2 s PHE 39 Ca -0.06 -0.13 0.00 0.00 -0.05 0.00 0.00 56.93 56.70 3hw2 s PHE 39 Cb -0.15 -1.38 0.00 0.00 -0.63 0.00 0.00 43.02 40.86 3hw2 s PHE 39 CO 0.04 0.53 0.00 -1.13 -0.05 0.00 0.00 175.22 174.60 3hw2 n SER 40 N -0.24 0.00 0.09 1.98 3.41 -1.26 0.35 113.62 117.95 3hw2 n SER 40 Ca -0.09 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.37 3hw2 n SER 40 Cb 0.55 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.41 3hw2 n SER 40 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3hw2 h THR 41 N 0.00 1.44 -1.09 6.66 2.02 -2.02 -3.18 112.91 116.74 3hw2 h THR 41 Ca 0.00 -2.76 0.30 0.00 0.77 0.00 0.00 66.41 64.72 3hw2 h THR 41 Cb 0.00 2.71 -0.10 0.00 -1.74 0.00 0.00 68.15 69.02 3hw2 h THR 41 CO 0.00 0.81 0.71 1.23 0.37 0.00 0.00 175.52 178.64 3hw2 h GLY 42 N 1.35 1.20 0.80 2.16 0.00 -0.45 -2.02 103.07 106.12 3hw2 h GLY 42 Ca -0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 3hw2 h GLY 42 CO 0.19 -0.19 -0.35 1.70 0.00 0.00 0.00 176.54 177.89 3hw2 h LYS 43 N 0.32 -0.94 -0.83 4.80 3.64 -1.49 -1.09 116.57 120.98 3hw2 h LYS 43 Ca 0.64 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 60.05 3hw2 h LYS 43 Cb 1.73 0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 33.73 3hw2 h LYS 43 CO -0.31 -0.60 0.39 0.00 -2.27 0.00 0.00 179.45 176.65 3hw2 h ALA 44 N -1.08 1.07 -0.43 5.00 0.00 -1.57 -2.87 119.26 119.38 3hw2 h ALA 44 Ca -0.10 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 3hw2 h ALA 44 Cb 0.77 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3hw2 h ALA 44 CO 0.16 0.65 -0.22 0.87 0.00 0.00 0.00 179.25 180.71 3hw2 h LYS 45 N 1.19 0.86 -0.76 0.00 1.57 -1.41 -2.88 116.57 115.15 3hw2 h LYS 45 Ca 0.28 -0.36 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3hw2 h LYS 45 Cb 0.14 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 3hw2 h LYS 45 CO -0.03 1.00 0.50 0.00 -0.57 0.00 0.00 179.45 180.35 3hw2 h ALA 46 N 0.99 1.49 -0.68 3.86 0.00 -1.06 -2.09 119.26 121.77 3hw2 h ALA 46 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hw2 h ALA 46 Cb 0.76 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3hw2 h ALA 46 CO 0.06 0.46 0.43 0.22 0.00 0.00 0.00 179.25 180.42 3hw2 h ASP 47 N 1.00 0.80 1.44 0.00 1.82 -1.29 -0.11 116.42 120.08 3hw2 h ASP 47 Ca 0.29 -0.04 -0.07 0.00 -0.39 0.00 0.00 57.03 56.81 3hw2 h ASP 47 Cb -0.06 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 39.74 3hw2 h ASP 47 CO -0.07 0.61 -0.34 0.03 -1.61 0.00 0.00 179.24 177.85 3hw2 h ARG 48 N 0.92 0.00 0.56 0.28 2.47 -1.44 -0.35 114.38 116.82 3hw2 h ARG 48 Ca 0.25 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.94 3hw2 h ARG 48 Cb -0.06 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.26 3hw2 h ARG 48 CO -0.05 0.34 -0.27 0.00 0.56 0.00 0.00 179.97 180.55 3hw2 h LEU 50 N -0.79 0.00 0.08 0.00 3.38 -0.88 -0.80 115.31 116.30 3hw2 h LEU 50 Ca -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3hw2 h LEU 50 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3hw2 h LEU 50 CO 0.13 0.00 -0.04 -0.74 0.09 0.00 0.00 178.44 177.88 3hw2 h HIS 51 N 0.00 -0.10 -0.96 1.13 2.76 -0.34 -1.70 115.15 115.94 3hw2 h HIS 51 Ca 0.19 -0.00 0.28 0.00 -2.20 0.00 0.00 60.37 58.64 3hw2 h HIS 51 Cb 0.87 0.03 -0.18 0.00 1.55 0.00 0.00 27.41 29.68 3hw2 h HIS 51 CO 0.00 -0.06 0.09 -1.91 -1.30 0.00 0.00 177.93 174.75 3hw2 n GLU 52 N -2.58 -0.07 0.37 5.26 2.13 0.20 -0.90 120.64 125.04 3hw2 n GLU 52 Ca -0.01 1.42 -0.18 0.00 0.66 0.00 0.00 57.16 59.04 3hw2 n GLU 52 Cb 0.04 -2.29 -0.09 0.00 0.27 0.00 0.00 31.44 29.37 3hw2 n GLU 52 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 3hw2 h MET 53 N 0.00 -0.98 0.00 5.31 4.05 -1.17 -3.38 114.93 118.75 3hw2 h MET 53 Ca 0.61 0.07 -0.13 0.00 -0.28 0.00 0.00 59.70 59.97 3hw2 h MET 53 Cb 1.33 0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 32.33 3hw2 h MET 53 CO -0.88 -0.66 -1.52 1.28 0.23 0.00 0.00 176.91 175.37 3hw2 n LEU 54 N -5.55 0.00 -2.02 3.39 4.77 -0.49 -4.33 117.00 112.77 3hw2 n LEU 54 Ca -0.13 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.73 3hw2 n LEU 54 Cb 0.44 0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.75 3hw2 n LEU 54 CO 0.34 0.17 0.14 0.49 -1.33 0.00 0.00 177.39 177.21 3hw2 n PHE 55 N -2.24 1.78 -3.61 -1.77 3.72 -0.08 -4.98 117.46 110.28 3hw2 n PHE 55 Ca -0.12 -1.98 -0.22 0.00 -0.05 0.00 0.00 57.45 55.09 3hw2 n PHE 55 Cb 0.70 -0.28 -0.01 0.00 -0.94 0.00 0.00 39.48 38.94 3hw2 n PHE 55 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hw2 s ALA 56 N -3.36 3.90 0.23 4.37 0.00 -1.15 -4.86 121.76 120.89 3hw2 s ALA 56 Ca 0.42 -1.16 0.14 0.00 0.00 0.00 0.00 51.96 51.36 3hw2 s ALA 56 Cb 0.38 -1.87 0.82 0.00 0.00 0.00 0.00 23.12 22.45 3hw2 s ALA 56 CO -0.01 0.06 0.94 -0.85 0.00 0.00 0.00 175.76 175.90 3hw2 n GLU 57 N -1.63 -0.03 -4.18 0.00 0.00 -1.26 -4.52 120.64 109.02 3hw2 n GLU 57 Ca -0.05 0.81 -0.11 0.00 0.00 0.00 0.00 57.16 57.81 3hw2 n GLU 57 Cb 0.57 -1.48 -0.10 0.00 0.00 0.00 0.00 31.44 30.43 3hw2 n GLU 57 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 3hw2 s ARG 58 N -4.85 1.05 0.22 3.44 1.70 -1.26 -5.17 118.95 114.09 3hw2 s ARG 58 Ca -0.05 -1.53 -0.06 0.00 -0.47 0.00 0.00 55.73 53.62 3hw2 s ARG 58 Cb 0.20 0.24 -0.06 0.00 -0.57 0.00 0.00 34.95 34.76 3hw2 s ARG 58 CO 0.47 -0.31 0.49 0.00 -1.08 0.00 0.00 175.30 174.87 3hw2 s ALA 59 N -4.08 3.66 0.94 7.88 0.00 -1.26 -4.87 121.76 124.03 3hw2 s ALA 59 Ca 0.31 -0.48 -0.11 0.00 0.00 0.00 0.00 51.96 51.68 3hw2 s ALA 59 Cb 0.07 -2.28 0.13 0.00 0.00 0.00 0.00 23.12 21.04 3hw2 s ALA 59 CO 0.06 0.47 0.92 -0.35 0.00 0.00 0.00 175.76 176.87 3hw2 n PRO 60 N -0.35 -0.54 -2.55 0.00 -0.04 -1.26 -4.99 135.00 125.26 3hw2 n PRO 60 Ca -0.01 -0.10 -0.38 0.00 -0.04 0.00 0.00 63.50 62.97 3hw2 n PRO 60 Cb 0.53 -2.22 -0.04 0.00 -0.04 0.00 0.00 33.50 31.73 3hw2 n PRO 60 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3hw2 s THR 61 N -2.56 3.70 0.25 0.52 2.01 -1.26 -4.81 115.64 113.49 3hw2 s THR 61 Ca 0.64 1.44 -0.05 0.00 0.31 0.00 0.00 61.69 64.03 3hw2 s THR 61 Cb -0.22 -3.81 0.39 0.00 0.01 0.00 0.00 72.50 68.86 3hw2 s THR 61 CO 0.61 0.14 1.34 -1.14 -0.69 0.00 0.00 174.62 174.87 3hw2 n ARG 62 N 0.40 -0.08 0.05 4.92 0.63 -1.26 0.39 116.66 121.72 3hw2 n ARG 62 Ca 0.03 1.32 -0.13 0.00 -0.92 0.00 0.00 57.85 58.15 3hw2 n ARG 62 Cb 0.48 -2.00 -0.03 0.00 0.45 0.00 0.00 32.46 31.36 3hw2 n ARG 62 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3hw2 h GLU 63 N 0.00 0.48 -0.30 -0.14 4.57 -2.00 -3.09 114.58 114.09 3hw2 h GLU 63 Ca 0.43 -0.45 -0.06 0.00 -1.18 0.00 0.00 59.36 58.10 3hw2 h GLU 63 Cb 0.72 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 3hw2 h GLU 63 CO -0.86 1.10 -0.05 -0.09 -1.18 0.00 0.00 179.01 177.92 3hw2 h ARG 64 N 0.30 0.57 -0.97 1.92 9.65 -0.93 -2.35 114.38 122.57 3hw2 h ARG 64 Ca -0.06 -0.21 0.19 0.00 -1.10 0.00 0.00 59.98 58.80 3hw2 h ARG 64 Cb 1.47 -0.04 -0.09 0.00 -1.39 0.00 0.00 29.97 29.93 3hw2 h ARG 64 CO 0.15 0.75 0.61 1.25 2.80 0.00 0.00 179.97 185.53 3hw2 h LEU 65 N 0.34 0.64 -0.56 3.80 5.85 -0.12 0.32 115.31 125.58 3hw2 h LEU 65 Ca 0.08 0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.71 3hw2 h LEU 65 Cb 0.52 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3hw2 h LEU 65 CO 0.03 0.25 -0.58 0.74 -0.34 0.00 0.00 178.44 178.53 3hw2 h THR 66 N 0.63 1.35 -0.29 1.05 2.02 -1.44 -2.71 112.91 113.52 3hw2 h THR 66 Ca 0.53 -1.88 -0.02 0.00 0.77 0.00 0.00 66.41 65.81 3hw2 h THR 66 Cb 0.99 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 3hw2 h THR 66 CO -0.29 0.57 0.11 -0.33 0.37 0.00 0.00 175.52 175.96 3hw2 h GLU 67 N 0.32 0.43 -0.91 6.66 5.08 0.04 -3.07 114.58 123.13 3hw2 h GLU 67 Ca -0.00 -0.08 0.08 0.00 -1.00 0.00 0.00 59.36 58.36 3hw2 h GLU 67 Cb 1.11 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.23 3hw2 h GLU 67 CO 0.10 0.46 0.59 0.82 -1.00 0.00 0.00 179.01 179.98 3hw2 h ILE 68 N 0.31 1.01 0.59 3.13 2.04 -0.66 0.89 117.51 124.82 3hw2 h ILE 68 Ca 0.10 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 3hw2 h ILE 68 Cb 0.19 -0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.24 3hw2 h ILE 68 CO -0.01 0.18 -0.28 0.15 0.00 0.00 0.00 178.15 178.19 3hw2 h PHE 69 N 0.97 -0.73 0.00 1.37 3.57 -1.42 -2.12 116.94 118.57 3hw2 h PHE 69 Ca 0.41 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.89 3hw2 h PHE 69 Cb 0.32 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.30 3hw2 h PHE 69 CO -0.00 -0.44 0.00 1.19 -2.23 0.00 0.00 178.31 176.82 3hw2 n PHE 70 N -5.42 0.00 0.06 0.41 3.72 -0.80 -1.02 117.46 114.41 3hw2 n PHE 70 Ca -0.13 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.11 3hw2 n PHE 70 Cb 0.33 -0.23 -0.08 0.00 -0.94 0.00 0.00 39.48 38.56 3hw2 n PHE 70 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3hw2 h GLU 71 N 0.00 0.52 0.17 -1.08 5.08 -0.59 -2.87 114.58 115.81 3hw2 h GLU 71 Ca 0.00 -0.59 -0.01 0.00 -1.00 0.00 0.00 59.36 57.76 3hw2 h GLU 71 Cb 0.22 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3hw2 h GLU 71 CO 0.00 1.21 -0.08 -0.07 -1.00 0.00 0.00 179.01 179.07 3hw2 h LEU 72 N 0.28 -0.19 -1.00 1.33 3.38 -0.39 -2.62 115.31 116.10 3hw2 h LEU 72 Ca -0.11 -0.31 0.18 0.00 0.09 0.00 0.00 57.88 57.73 3hw2 h LEU 72 Cb 1.67 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 42.37 3hw2 h LEU 72 CO 0.19 0.24 0.61 0.50 0.09 0.00 0.00 178.44 180.07 3hw2 h LYS 73 N -0.66 0.77 -0.73 1.13 3.64 -1.33 0.68 116.57 120.07 3hw2 h LYS 73 Ca -0.02 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3hw2 h LYS 73 Cb 0.48 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 3hw2 h LYS 73 CO 0.04 0.51 0.47 1.49 -2.27 0.00 0.00 179.45 179.69 3hw2 h GLU 74 N 0.80 0.93 0.00 1.90 4.22 -1.50 -2.70 114.58 118.23 3hw2 h GLU 74 Ca 0.57 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.95 3hw2 h GLU 74 Cb 0.83 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3hw2 h GLU 74 CO -0.37 0.61 0.00 1.28 -2.18 0.00 0.00 179.01 178.36 3hw2 n LEU 75 N -4.60 0.55 -4.80 1.64 4.77 0.22 -4.84 117.00 109.94 3hw2 n LEU 75 Ca 0.07 0.59 -0.36 0.00 -0.03 0.00 0.00 56.01 56.28 3hw2 n LEU 75 Cb 0.04 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 40.61 3hw2 n LEU 75 CO 0.35 -0.31 0.58 0.00 -1.33 0.00 0.00 177.39 176.68 3hw2 s ALA 76 N -3.15 3.24 0.27 -1.18 0.00 -0.15 -4.55 121.76 116.23 3hw2 s ALA 76 Ca 0.08 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 52.14 3hw2 s ALA 76 Cb 0.12 -3.07 -0.13 0.00 0.00 0.00 0.00 23.12 20.04 3hw2 s ALA 76 CO 0.47 0.21 1.31 0.00 0.00 0.00 0.00 175.76 177.75 3hw2 h ALA 78 N 3.43 2.11 -0.82 0.00 0.00 -1.94 0.52 119.26 122.56 3hw2 h ALA 78 Ca -0.44 0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.67 3hw2 h ALA 78 Cb 1.29 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 3hw2 h ALA 78 CO 0.70 -0.75 0.54 0.66 0.00 0.00 0.00 179.25 180.40 3hw2 h SER 79 N 0.24 0.93 -0.31 0.00 4.64 -1.99 -3.02 113.55 114.04 3hw2 h SER 79 Ca 0.76 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 62.06 3hw2 h SER 79 Cb 1.89 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 3hw2 h SER 79 CO -0.60 0.67 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 3hw2 n GLN 80 N -4.52 2.32 0.11 4.77 1.13 0.18 -4.07 117.38 117.30 3hw2 n GLN 80 Ca 0.09 -1.37 0.05 0.00 -1.94 0.00 0.00 57.00 53.83 3hw2 n GLN 80 Cb 0.03 -1.57 0.01 0.00 0.11 0.00 0.00 30.24 28.82 3hw2 n GLN 80 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hw2 h ARG 81 N 1.96 0.00 0.00 -1.09 3.08 -1.38 -3.08 114.38 113.87 3hw2 h ARG 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hw2 h ARG 81 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 3hw2 h ARG 81 CO 0.12 0.24 0.00 -0.40 -1.07 0.00 0.00 179.97 178.86 3hw2 n ASP 82 N -2.98 0.04 0.03 7.04 5.68 -1.26 -0.74 116.55 124.37 3hw2 n ASP 82 Ca -0.02 0.52 0.13 0.00 -0.50 0.00 0.00 54.79 54.92 3hw2 n ASP 82 Cb 0.69 -0.53 0.40 0.00 -1.14 0.00 0.00 41.12 40.55 3hw2 n ASP 82 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3hw2 n ARG 83 N -1.56 0.11 -3.44 0.11 5.12 -1.16 -4.64 116.66 111.20 3hw2 n ARG 83 Ca 0.01 0.06 -0.44 0.00 -1.93 0.00 0.00 57.85 55.55 3hw2 n ARG 83 Cb 0.03 -1.60 -0.06 0.00 -1.16 0.00 0.00 32.46 29.68 3hw2 n ARG 83 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3hw2 s PHE 84 N -3.05 3.49 0.04 -1.55 0.40 0.08 -2.27 117.98 115.12 3hw2 s PHE 84 Ca 0.11 -1.88 0.09 0.00 -0.60 0.00 0.00 56.93 54.65 3hw2 s PHE 84 Cb 0.16 -3.64 -0.03 0.00 0.51 0.00 0.00 43.02 40.02 3hw2 s PHE 84 CO 0.62 -0.98 -0.26 -0.65 0.70 0.00 0.00 175.22 174.65 3hw2 s GLN 85 N 0.83 1.80 -0.04 0.44 -0.21 -1.03 -5.01 119.66 116.44 3hw2 s GLN 85 Ca 0.11 -1.11 0.01 0.00 0.02 0.00 0.00 55.36 54.39 3hw2 s GLN 85 Cb -0.21 -1.97 0.02 0.00 1.00 0.00 0.00 33.01 31.85 3hw2 s GLN 85 CO -0.03 0.51 -0.05 0.08 -2.12 0.00 0.00 175.29 173.69 3hw2 s VAL 86 N -0.80 0.51 -0.09 1.09 1.01 -1.26 -2.04 120.40 118.81 3hw2 s VAL 86 Ca 0.12 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 3hw2 s VAL 86 Cb -0.10 -0.52 0.07 0.00 0.00 0.00 0.00 36.38 35.83 3hw2 s VAL 86 CO 0.02 0.21 0.69 -1.38 0.00 0.00 0.00 175.10 174.64 3hw2 s HIS 87 N 0.73 -0.68 -0.32 5.22 -3.43 -0.84 -4.81 115.29 111.16 3hw2 s HIS 87 Ca -0.10 1.29 -0.18 0.00 -0.80 0.00 0.00 55.06 55.27 3hw2 s HIS 87 Cb -0.13 0.38 -0.01 0.00 -1.43 0.00 0.00 32.58 31.40 3hw2 s HIS 87 CO 0.00 -0.56 0.51 -0.80 -2.00 0.00 0.00 174.74 171.88 3hw2 s ASN 88 N -0.88 6.34 0.33 7.38 -0.87 -1.26 -1.30 114.94 124.67 3hw2 s ASN 88 Ca -0.09 0.12 -0.27 0.00 -1.57 0.00 0.00 52.86 51.05 3hw2 s ASN 88 Cb -0.01 -2.27 -0.13 0.00 -0.02 0.00 0.00 41.25 38.82 3hw2 s ASN 88 CO 0.08 -0.42 1.05 -0.81 -2.57 0.00 0.00 177.10 174.43 3hw2 n PRO 89 N 5.68 1.48 -1.37 -0.60 -0.04 -1.26 -0.13 135.00 138.75 3hw2 n PRO 89 Ca -0.05 0.52 -0.14 0.00 -0.04 0.00 0.00 63.50 63.80 3hw2 n PRO 89 Cb 0.49 -1.96 -0.06 0.00 -0.04 0.00 0.00 33.50 31.93 3hw2 n PRO 89 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3hw2 n HIS 90 N 0.09 -0.07 -1.01 0.54 8.25 -1.26 -0.58 115.22 121.19 3hw2 n HIS 90 Ca 0.09 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.52 3hw2 n HIS 90 Cb 0.34 -2.87 -0.01 0.00 1.12 0.00 0.00 29.99 28.57 3hw2 n HIS 90 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3hw2 n GLU 91 N -1.36 -1.90 -2.79 -0.41 -0.58 0.81 -4.95 120.64 109.45 3hw2 n GLU 91 Ca -0.14 0.56 -0.42 0.00 -0.42 0.00 0.00 57.16 56.74 3hw2 n GLU 91 Cb 0.58 -4.87 -0.03 0.00 -0.57 0.00 0.00 31.44 26.55 3hw2 n GLU 91 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3hw2 s ASN 92 N -1.93 6.98 0.17 1.62 3.84 0.25 -4.92 114.94 120.95 3hw2 s ASN 92 Ca 0.00 1.22 -0.19 0.00 0.21 0.00 0.00 52.86 54.10 3hw2 s ASN 92 Cb 0.00 -2.48 0.10 0.00 -0.55 0.00 0.00 41.25 38.32 3hw2 s ASN 92 CO 0.00 -0.55 1.63 0.44 -2.79 0.00 0.00 177.10 175.83 3hw2 h ASP 93 N 7.50 -0.71 -0.03 -4.21 3.32 -1.91 -3.23 116.42 117.15 3hw2 h ASP 93 Ca -0.23 0.16 0.01 0.00 0.02 0.00 0.00 57.03 56.99 3hw2 h ASP 93 Cb 1.09 0.38 -0.00 0.00 0.22 0.00 0.00 39.33 41.02 3hw2 h ASP 93 CO 0.90 -0.24 0.84 0.00 -1.72 0.00 0.00 179.24 179.02 3hw2 n ALA 94 N -2.90 0.03 -2.80 3.45 0.00 -1.26 -4.00 120.51 113.03 3hw2 n ALA 94 Ca 0.02 0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 3hw2 n ALA 94 Cb 0.30 -0.02 -0.13 0.00 0.00 0.00 0.00 19.45 19.59 3hw2 n ALA 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hw2 s THR 95 N -3.50 0.40 -0.07 0.00 2.01 -1.22 -3.73 115.64 109.53 3hw2 s THR 95 Ca -0.00 -0.46 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 3hw2 s THR 95 Cb 0.00 -0.39 0.03 0.00 0.01 0.00 0.00 72.50 72.16 3hw2 s THR 95 CO 0.01 -0.05 0.00 -0.51 -0.69 0.00 0.00 174.62 173.38 3hw2 s ILE 96 N -0.51 0.37 -0.16 1.82 2.07 -0.54 -4.26 121.20 120.00 3hw2 s ILE 96 Ca -0.02 0.11 -0.06 0.00 -1.41 0.00 0.00 60.65 59.27 3hw2 s ILE 96 Cb -0.04 -0.54 -0.04 0.00 0.13 0.00 0.00 42.46 41.97 3hw2 s ILE 96 CO -0.00 0.25 0.05 -0.63 -1.91 0.00 0.00 174.94 172.70 3hw2 s ILE 97 N 1.97 4.71 -0.07 2.00 1.01 -0.42 -1.78 121.20 128.63 3hw2 s ILE 97 Ca 0.05 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.66 3hw2 s ILE 97 Cb -0.12 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 3hw2 s ILE 97 CO -0.05 0.50 -0.16 -0.76 0.00 0.00 0.00 174.94 174.47 3hw2 s LEU 98 N 0.07 2.63 -0.00 2.97 1.43 0.22 -1.98 118.68 124.03 3hw2 s LEU 98 Ca 0.05 -0.27 -0.20 0.00 -1.03 0.00 0.00 54.13 52.68 3hw2 s LEU 98 Cb -0.12 -1.54 0.04 0.00 0.03 0.00 0.00 46.19 44.60 3hw2 s LEU 98 CO 0.01 0.29 0.44 0.00 0.23 0.00 0.00 176.35 177.32 3hw2 s ARG 99 N -0.41 0.86 -0.17 1.70 1.70 -0.87 0.18 118.95 121.94 3hw2 s ARG 99 Ca 0.04 -0.14 -0.01 0.00 -0.47 0.00 0.00 55.73 55.15 3hw2 s ARG 99 Cb -0.12 0.39 -0.01 0.00 -0.57 0.00 0.00 34.95 34.64 3hw2 s ARG 99 CO 0.02 -0.27 -0.11 0.42 -1.08 0.00 0.00 175.30 174.29 3hw2 s ILE 100 N -1.70 3.06 -0.10 4.99 1.01 0.13 -2.47 121.20 126.13 3hw2 s ILE 100 Ca -0.10 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 59.89 3hw2 s ILE 100 Cb -0.02 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 3hw2 s ILE 100 CO 0.03 0.49 0.02 -0.04 0.00 0.00 0.00 174.94 175.44 3hw2 s MET 101 N 0.87 3.14 1.17 2.79 -1.94 -0.96 -1.36 119.30 123.01 3hw2 s MET 101 Ca -0.03 -0.38 -0.13 0.00 -1.71 0.00 0.00 55.69 53.44 3hw2 s MET 101 Cb -0.15 -2.87 0.29 0.00 2.01 0.00 0.00 34.83 34.11 3hw2 s MET 101 CO 0.00 0.65 1.03 0.34 -0.01 0.00 0.00 175.02 177.03 3hw2 s ASP 102 N -0.74 0.87 0.26 3.03 -1.08 -1.22 -4.81 116.67 112.98 3hw2 s ASP 102 Ca 0.12 1.53 -0.03 0.00 -0.52 0.00 0.00 52.55 53.65 3hw2 s ASP 102 Cb -0.12 -2.32 0.53 0.00 -1.46 0.00 0.00 42.92 39.55 3hw2 s ASP 102 CO 0.02 -4.27 1.67 1.56 0.52 0.00 0.00 175.17 174.67 3hw2 h GLN 103 N -2.67 0.24 -0.97 4.34 1.08 -1.93 -0.91 115.11 114.29 3hw2 h GLN 103 Ca -0.62 -0.01 -0.40 0.00 -1.45 0.00 0.00 58.65 56.16 3hw2 h GLN 103 Cb 1.33 -0.05 -0.24 0.00 -0.05 0.00 0.00 27.48 28.47 3hw2 h GLN 103 CO 0.50 0.16 0.51 0.09 -0.95 0.00 0.00 178.83 179.14 3hw2 n ASN 104 N -5.19 3.76 -2.83 1.46 3.02 -1.26 -4.89 115.26 109.32 3hw2 n ASN 104 Ca 0.16 -3.32 -0.11 0.00 -0.03 0.00 0.00 54.58 51.29 3hw2 n ASN 104 Cb 0.52 -0.78 -0.02 0.00 -0.61 0.00 0.00 39.78 38.89 3hw2 n ASN 104 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3hw2 n GLU 105 N -0.78 -2.22 -3.45 3.52 2.13 -0.34 -4.86 120.64 114.64 3hw2 n GLU 105 Ca 0.49 0.03 -0.43 0.00 0.66 0.00 0.00 57.16 57.91 3hw2 n GLU 105 Cb 1.46 -4.09 -0.09 0.00 0.27 0.00 0.00 31.44 29.00 3hw2 n GLU 105 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3hw2 s GLU 106 N -5.07 2.90 0.33 5.31 2.02 -1.26 -4.92 118.70 118.01 3hw2 s GLU 106 Ca 0.21 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 53.89 3hw2 s GLU 106 Cb -0.12 -4.02 0.00 0.00 0.10 0.00 0.00 34.13 30.09 3hw2 s GLU 106 CO 0.26 -0.95 0.00 -1.71 0.02 0.00 0.00 175.26 172.87 3hw2 n ASN 107 N 5.13 -4.60 -4.61 -0.19 5.15 -1.26 -4.53 115.26 110.35 3hw2 n ASN 107 Ca -0.12 1.00 -0.38 0.00 -0.60 0.00 0.00 54.58 54.48 3hw2 n ASN 107 Cb 0.44 -2.39 -0.10 0.00 -0.53 0.00 0.00 39.78 37.20 3hw2 n ASN 107 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3hw2 s GLU 108 N -4.64 3.99 -0.01 1.20 2.02 -1.26 -3.37 118.70 116.63 3hw2 s GLU 108 Ca 0.00 -0.21 -0.24 0.00 0.02 0.00 0.00 54.97 54.55 3hw2 s GLU 108 Cb 0.00 -3.64 -0.16 0.00 0.10 0.00 0.00 34.13 30.43 3hw2 s GLU 108 CO 0.00 -0.17 1.13 -0.07 0.02 0.00 0.00 175.26 176.18 3hw2 h LEU 109 N 8.28 -0.30 -8.20 1.80 3.38 -1.58 -3.34 115.31 115.36 3hw2 h LEU 109 Ca -0.35 -0.22 -0.60 0.00 0.09 0.00 0.00 57.88 56.80 3hw2 h LEU 109 Cb 1.18 0.08 -0.33 0.00 0.09 0.00 0.00 40.66 41.68 3hw2 h LEU 109 CO 0.59 0.11 -0.85 -0.22 0.09 0.00 0.00 178.44 178.17 3hw2 s LEU 110 N -9.36 1.89 -0.07 1.67 2.96 -1.19 0.53 118.68 115.12 3hw2 s LEU 110 Ca -0.14 -0.42 -0.00 0.00 -0.22 0.00 0.00 54.13 53.35 3hw2 s LEU 110 Cb 0.02 -1.11 0.02 0.00 0.50 0.00 0.00 46.19 45.62 3hw2 s LEU 110 CO 0.52 0.12 -0.03 -0.60 -1.32 0.00 0.00 176.35 175.04 3hw2 s ARG 111 N 0.37 0.85 -0.10 1.98 3.52 -0.02 0.23 118.95 125.78 3hw2 s ARG 111 Ca -0.14 -0.03 0.02 0.00 -0.13 0.00 0.00 55.73 55.46 3hw2 s ARG 111 Cb -0.16 -1.03 -0.01 0.00 -1.56 0.00 0.00 34.95 32.19 3hw2 s ARG 111 CO 0.05 -0.22 -0.17 0.42 -0.81 0.00 0.00 175.30 174.58 3hw2 s ILE 112 N 1.55 2.71 -0.11 4.11 1.01 0.47 0.86 121.20 131.79 3hw2 s ILE 112 Ca -0.01 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.87 3hw2 s ILE 112 Cb -0.13 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.26 3hw2 s ILE 112 CO -0.04 0.55 -0.21 -0.89 0.00 0.00 0.00 174.94 174.35 3hw2 s THR 113 N 0.09 1.86 -0.22 2.92 2.01 -0.08 0.72 115.64 122.94 3hw2 s THR 113 Ca -0.08 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.05 3hw2 s THR 113 Cb -0.15 -1.63 0.05 0.00 0.01 0.00 0.00 72.50 70.78 3hw2 s THR 113 CO 0.05 0.51 -0.08 -1.10 -0.69 0.00 0.00 174.62 173.31 3hw2 s GLN 114 N 0.58 1.89 0.00 4.92 -0.21 -0.73 -0.69 119.66 125.42 3hw2 s GLN 114 Ca -0.14 -0.96 0.00 0.00 0.02 0.00 0.00 55.36 54.28 3hw2 s GLN 114 Cb -0.17 -2.54 0.00 0.00 1.00 0.00 0.00 33.01 31.31 3hw2 s GLN 114 CO 0.04 -0.51 0.00 0.09 -2.12 0.00 0.00 175.29 172.79 3hw2 n ASN 115 N 4.65 0.00 0.04 5.90 4.13 0.02 -1.46 115.26 128.54 3hw2 n ASN 115 Ca -0.13 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 55.92 3hw2 n ASN 115 Cb 0.45 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.55 3hw2 n ASN 115 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 3hw2 h THR 116 N 0.00 1.37 0.00 3.41 1.35 -1.98 -3.41 112.91 113.65 3hw2 h THR 116 Ca 0.00 -2.51 0.00 0.00 -0.55 0.00 0.00 66.41 63.35 3hw2 h THR 116 Cb 0.00 3.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 3hw2 h THR 116 CO 0.00 0.72 0.00 -0.90 -0.25 0.00 0.00 175.52 175.09 3hw2 n ASP 117 N -4.05 0.42 -4.24 5.36 5.75 -1.26 -4.66 116.55 113.87 3hw2 n ASP 117 Ca -0.17 -1.11 -0.20 0.00 -0.01 0.00 0.00 54.79 53.30 3hw2 n ASP 117 Cb 0.86 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.83 3hw2 n ASP 117 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3hw2 s THR 118 N -0.11 1.42 0.02 2.12 -4.23 -1.26 -1.68 115.64 111.92 3hw2 s THR 118 Ca 0.00 -1.59 -0.01 0.00 -1.18 0.00 0.00 61.69 58.91 3hw2 s THR 118 Cb 0.00 -1.45 -0.02 0.00 1.34 0.00 0.00 72.50 72.37 3hw2 s THR 118 CO 0.00 -0.26 -0.01 0.72 -0.54 0.00 0.00 174.62 174.53 3hw2 s PHE 119 N -1.65 0.24 0.06 3.99 -0.12 0.05 -0.80 117.98 119.75 3hw2 s PHE 119 Ca 0.06 -0.50 -0.05 0.00 -0.05 0.00 0.00 56.93 56.39 3hw2 s PHE 119 Cb -0.08 -0.18 -0.02 0.00 -0.63 0.00 0.00 43.02 42.12 3hw2 s PHE 119 CO 0.04 -0.21 0.09 -1.54 -0.05 0.00 0.00 175.22 173.54 3hw2 s SER 120 N -1.51 0.27 -0.06 1.98 1.04 0.13 -0.12 113.70 115.43 3hw2 s SER 120 Ca -0.15 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 55.55 3hw2 s SER 120 Cb -0.09 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.31 3hw2 s SER 120 CO -0.01 -0.62 -0.07 0.00 0.98 0.00 0.00 173.24 173.52 3hw2 s GLU 122 N 1.00 2.56 -0.08 0.00 2.02 0.25 -0.19 118.70 124.27 3hw2 s GLU 122 Ca -0.09 -0.71 -0.00 0.00 0.02 0.00 0.00 54.97 54.18 3hw2 s GLU 122 Cb -0.14 -2.50 0.02 0.00 0.10 0.00 0.00 34.13 31.61 3hw2 s GLU 122 CO -0.00 0.61 -0.04 0.08 0.02 0.00 0.00 175.26 175.93 3hw2 s VAL 123 N -0.98 0.64 -1.52 2.63 1.01 -0.67 -0.84 120.40 120.67 3hw2 s VAL 123 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.06 3hw2 s VAL 123 Cb -0.11 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.56 3hw2 s VAL 123 CO 0.07 0.29 0.00 0.23 0.00 0.00 0.00 175.10 175.69 3hw2 n MET 124 N 4.76 -1.43 -1.03 2.72 2.81 0.19 0.35 117.12 125.48 3hw2 n MET 124 Ca -0.14 0.84 -0.01 0.00 -1.81 0.00 0.00 57.70 56.59 3hw2 n MET 124 Cb 0.50 -5.17 -0.00 0.00 -0.71 0.00 0.00 33.22 27.84 3hw2 n MET 124 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hw2 n GLY 125 N -0.36 0.49 3.72 3.03 0.00 -1.26 -5.03 105.19 105.78 3hw2 n GLY 125 Ca -0.15 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 3hw2 n GLY 125 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hw2 s ASN 126 N -2.52 6.79 -0.30 1.61 0.01 0.16 -5.02 114.94 115.66 3hw2 s ASN 126 Ca 0.00 0.95 -0.29 0.00 -0.71 0.00 0.00 52.86 52.81 3hw2 s ASN 126 Cb 0.00 -2.33 -0.01 0.00 0.41 0.00 0.00 41.25 39.32 3hw2 s ASN 126 CO 0.00 -0.05 1.53 -0.22 -1.51 0.00 0.00 177.10 176.85 3hw2 s LEU 127 N 0.71 3.76 -0.12 0.60 2.96 -1.26 -1.66 118.68 123.67 3hw2 s LEU 127 Ca 0.30 1.30 0.02 0.00 -0.22 0.00 0.00 54.13 55.53 3hw2 s LEU 127 Cb -0.16 -3.53 -0.24 0.00 0.50 0.00 0.00 46.19 42.75 3hw2 s LEU 127 CO 0.13 -1.33 0.37 -1.22 -1.32 0.00 0.00 176.35 172.98 3hw2 n TYR 128 N 8.63 0.94 -3.60 5.38 4.01 0.74 -4.98 117.16 128.28 3hw2 n TYR 128 Ca 0.18 0.25 -0.13 0.00 -0.16 0.00 0.00 57.90 58.04 3hw2 n TYR 128 Cb 0.46 -1.14 -0.06 0.00 -0.31 0.00 0.00 39.34 38.29 3hw2 n TYR 128 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 3hw2 s PHE 129 N -2.56 -0.61 -0.13 -0.72 -0.12 -1.17 -4.99 117.98 107.69 3hw2 s PHE 129 Ca -0.17 1.33 0.02 0.00 -0.05 0.00 0.00 56.93 58.06 3hw2 s PHE 129 Cb 0.07 0.36 0.00 0.00 -0.63 0.00 0.00 43.02 42.82 3hw2 s PHE 129 CO 0.77 -0.38 -0.20 -1.17 -0.05 0.00 0.00 175.22 174.19 3hw2 s LEU 130 N -0.25 2.25 0.04 -1.99 0.20 -1.26 -1.09 118.68 116.57 3hw2 s LEU 130 Ca -0.02 -0.53 0.07 0.00 0.69 0.00 0.00 54.13 54.35 3hw2 s LEU 130 Cb -0.03 -1.47 -0.03 0.00 -0.43 0.00 0.00 46.19 44.22 3hw2 s LEU 130 CO 0.01 0.12 -0.20 -0.04 -0.29 0.00 0.00 176.35 175.96 3hw2 s MET 131 N 0.57 2.03 -0.31 1.98 -1.94 0.83 -5.00 119.30 117.46 3hw2 s MET 131 Ca -0.12 -1.00 -0.06 0.00 -1.71 0.00 0.00 55.69 52.81 3hw2 s MET 131 Cb -0.17 -2.15 0.03 0.00 2.01 0.00 0.00 34.83 34.56 3hw2 s MET 131 CO 0.04 0.54 0.07 0.21 -0.01 0.00 0.00 175.02 175.87 3hw2 s LYS 132 N -1.35 2.76 0.57 2.03 2.20 -1.26 -0.77 119.74 123.92 3hw2 s LYS 132 Ca 0.14 -1.07 0.07 0.00 -0.36 0.00 0.00 55.97 54.75 3hw2 s LYS 132 Cb -0.10 -3.37 0.06 0.00 -1.51 0.00 0.00 37.83 32.91 3hw2 s LYS 132 CO 0.04 -0.57 0.58 0.16 -0.36 0.00 0.00 175.35 175.20 3hw2 s ASP 133 N 1.41 4.81 -0.41 1.43 1.47 -0.68 -5.01 116.67 119.68 3hw2 s ASP 133 Ca -0.01 -1.10 0.04 0.00 1.18 0.00 0.00 52.55 52.66 3hw2 s ASP 133 Cb -0.19 0.43 0.11 0.00 -0.34 0.00 0.00 42.92 42.94 3hw2 s ASP 133 CO 0.02 -1.24 0.14 -0.13 0.68 0.00 0.00 175.17 174.63 3hw2 s ARG 134 N -4.46 1.67 -0.03 2.11 0.52 -1.26 -4.68 118.95 112.81 3hw2 s ARG 134 Ca 0.46 -2.17 0.03 0.00 -0.52 0.00 0.00 55.73 53.52 3hw2 s ARG 134 Cb -0.04 -3.23 0.13 0.00 0.52 0.00 0.00 34.95 32.33 3hw2 s ARG 134 CO 0.29 -1.01 0.77 -0.35 0.02 0.00 0.00 175.30 175.02 3hw2 n PRO 135 N 3.79 1.57 -2.28 3.54 -0.04 -1.26 -4.85 135.00 135.47 3hw2 n PRO 135 Ca 0.04 -0.50 -0.43 0.00 -0.04 0.00 0.00 63.50 62.58 3hw2 n PRO 135 Cb 0.38 -1.53 -0.02 0.00 -0.04 0.00 0.00 33.50 32.28 3hw2 n PRO 135 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3hw2 s ASP 136 N -0.28 6.39 0.40 3.54 3.68 -1.26 -4.45 116.67 124.69 3hw2 s ASP 136 Ca 0.09 1.14 0.26 0.00 2.13 0.00 0.00 52.55 56.17 3hw2 s ASP 136 Cb 0.06 -2.54 0.76 0.00 -1.45 0.00 0.00 42.92 39.76 3hw2 s ASP 136 CO 0.03 -1.33 1.75 0.16 0.13 0.00 0.00 175.17 175.91 3hw2 h ILE 137 N 6.30 0.00 -3.54 4.11 3.07 -1.56 -3.38 117.51 122.52 3hw2 h ILE 137 Ca -0.29 -0.69 -0.78 0.00 1.55 0.00 0.00 64.86 64.66 3hw2 h ILE 137 Cb 1.12 1.66 -0.29 0.00 -0.27 0.00 0.00 36.82 39.03 3hw2 h ILE 137 CO 1.05 0.00 0.29 -0.76 -1.05 0.00 0.00 178.15 177.68 3hw2 s LEU 138 N -5.66 6.21 -0.24 0.16 1.02 -1.26 -4.80 118.68 114.11 3hw2 s LEU 138 Ca 0.06 -3.52 0.08 0.00 0.02 0.00 0.00 54.13 50.77 3hw2 s LEU 138 Cb 0.08 -2.14 -0.20 0.00 0.02 0.00 0.00 46.19 43.95 3hw2 s LEU 138 CO 0.59 -0.30 -0.12 0.29 0.02 0.00 0.00 176.35 176.84 3hw2 n LYS 139 N 2.77 0.66 0.00 1.70 5.02 -1.26 -3.93 118.16 123.13 3hw2 n LYS 139 Ca 0.22 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 3hw2 n LYS 139 Cb 0.40 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 3hw2 n LYS 139 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3hw2 n SER 140 N -3.08 0.00 -3.92 4.39 7.64 -1.26 -4.02 113.62 113.37 3hw2 n SER 140 Ca -0.41 0.24 -0.29 0.00 1.01 0.00 0.00 58.87 59.42 3hw2 n SER 140 Cb 1.05 -0.24 -0.16 0.00 -1.01 0.00 0.00 64.21 63.85 3hw2 n SER 140 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3hw2 s HIS 141 N -2.39 1.97 -0.75 1.43 3.76 -1.25 -5.00 115.29 113.06 3hw2 s HIS 141 Ca 0.00 -1.29 0.25 0.00 -0.15 0.00 0.00 55.06 53.87 3hw2 s HIS 141 Cb 0.00 -1.43 0.51 0.00 1.11 0.00 0.00 32.58 32.77 3hw2 s HIS 141 CO 0.00 -0.67 1.45 -0.35 -0.85 0.00 0.00 174.74 174.32 3hw2 n PRO 142 N 4.80 0.21 0.21 8.40 -0.04 -1.26 -3.49 135.00 143.83 3hw2 n PRO 142 Ca -0.13 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.53 3hw2 n PRO 142 Cb 0.47 -1.65 0.15 0.00 -0.04 0.00 0.00 33.50 32.43 3hw2 n PRO 142 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 3hw2 h GLN 143 N 0.00 0.00 -4.65 0.54 3.07 -1.93 -3.46 115.11 108.68 3hw2 h GLN 143 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 58.65 58.13 3hw2 h GLN 143 Cb 0.68 0.00 -0.36 0.00 0.08 0.00 0.00 27.48 27.88 3hw2 h GLN 143 CO 0.00 0.02 -0.82 1.41 0.09 0.00 0.00 178.83 179.52 3hw2 s MET 144 N -3.21 2.21 0.18 0.06 0.00 -1.23 -4.34 119.30 112.96 3hw2 s MET 144 Ca 0.06 -0.71 -0.27 0.00 0.00 0.00 0.00 55.69 54.77 3hw2 s MET 144 Cb 0.05 -2.28 -0.08 0.00 0.00 0.00 0.00 34.83 32.52 3hw2 s MET 144 CO 0.68 -0.33 0.83 0.99 0.00 0.00 0.00 175.02 177.19 3hw2 s THR 145 N 1.43 4.30 -0.26 10.11 2.01 -1.07 -4.68 115.64 127.49 3hw2 s THR 145 Ca 0.02 1.83 -0.04 0.00 0.31 0.00 0.00 61.69 63.81 3hw2 s THR 145 Cb -0.14 -4.20 0.14 0.00 0.01 0.00 0.00 72.50 68.31 3hw2 s THR 145 CO -0.10 0.50 0.48 0.00 -0.69 0.00 0.00 174.62 174.82 3hw2 s ALA 146 N -1.08 -1.55 0.13 7.40 0.00 -1.25 -1.94 121.76 123.48 3hw2 s ALA 146 Ca 0.38 1.47 0.09 0.00 0.00 0.00 0.00 51.96 53.89 3hw2 s ALA 146 Cb -0.24 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 3hw2 s ALA 146 CO 0.28 -1.14 -0.15 1.41 0.00 0.00 0.00 175.76 176.17 3hw2 s MET 147 N 2.69 1.91 -0.18 0.00 1.75 0.65 -1.39 119.30 124.73 3hw2 s MET 147 Ca 0.10 -1.19 -0.06 0.00 -1.25 0.00 0.00 55.69 53.29 3hw2 s MET 147 Cb -0.14 -2.15 -0.04 0.00 2.84 0.00 0.00 34.83 35.34 3hw2 s MET 147 CO -0.17 0.47 0.03 0.42 -0.65 0.00 0.00 175.02 175.12 3hw2 s ILE 148 N -1.33 4.48 -0.13 10.11 1.01 -1.26 -0.03 121.20 134.05 3hw2 s ILE 148 Ca 0.21 -0.14 -0.06 0.00 0.00 0.00 0.00 60.65 60.65 3hw2 s ILE 148 Cb -0.10 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 3hw2 s ILE 148 CO 0.12 0.46 0.08 -0.54 0.00 0.00 0.00 174.94 175.07 3hw2 s LYS 149 N 0.46 3.46 0.08 2.79 1.02 0.17 -4.99 119.74 122.73 3hw2 s LYS 149 Ca 0.01 -0.26 0.09 0.00 0.02 0.00 0.00 55.97 55.83 3hw2 s LYS 149 Cb -0.13 -3.09 -0.03 0.00 -0.52 0.00 0.00 37.83 34.05 3hw2 s LYS 149 CO 0.01 0.63 -0.23 1.03 -0.92 0.00 0.00 175.35 175.88 3hw2 s ARG 150 N -0.63 1.32 0.03 1.68 0.52 -1.26 0.22 118.95 120.83 3hw2 s ARG 150 Ca 0.12 -1.13 -0.05 0.00 -0.52 0.00 0.00 55.73 54.15 3hw2 s ARG 150 Cb -0.12 -1.58 -0.01 0.00 0.52 0.00 0.00 34.95 33.76 3hw2 s ARG 150 CO 0.02 0.38 0.08 -0.98 0.02 0.00 0.00 175.30 174.83 3hw2 s ARG 151 N -1.65 0.52 0.26 3.54 1.70 -1.05 -4.66 118.95 117.61 3hw2 s ARG 151 Ca 0.09 -0.68 -0.30 0.00 -0.47 0.00 0.00 55.73 54.36 3hw2 s ARG 151 Cb -0.10 0.20 -0.11 0.00 -0.57 0.00 0.00 34.95 34.38 3hw2 s ARG 151 CO 0.04 -0.12 1.60 -0.47 -1.08 0.00 0.00 175.30 175.26 3hw2 s TYR 152 N -2.24 2.84 -0.14 5.89 5.04 -1.26 -2.58 117.35 124.90 3hw2 s TYR 152 Ca -0.08 0.71 -0.01 0.00 -2.44 0.00 0.00 57.07 55.24 3hw2 s TYR 152 Cb -0.03 -4.05 -0.02 0.00 0.35 0.00 0.00 41.96 38.21 3hw2 s TYR 152 CO -0.03 -3.63 -0.10 0.45 -1.34 0.00 0.00 175.55 170.90 3hw2 s SER 153 N 0.67 4.21 0.16 4.32 0.15 0.16 -4.91 113.70 118.46 3hw2 s SER 153 Ca 0.66 -0.29 0.06 0.00 0.70 0.00 0.00 55.95 57.08 3hw2 s SER 153 Cb -0.47 -1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 62.14 3hw2 s SER 153 CO 0.43 0.15 1.37 -0.08 1.20 0.00 0.00 173.24 176.31 3hw2 h GLU 154 N 6.81 0.08 0.00 5.44 4.81 -1.95 -0.75 114.58 129.01 3hw2 h GLU 154 Ca -0.28 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 58.82 3hw2 h GLU 154 Cb 1.20 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 3hw2 h GLU 154 CO 0.58 0.92 -0.15 0.97 -0.73 0.00 0.00 179.01 180.60 3hw2 h ILE 155 N 0.04 0.42 -0.00 2.32 2.10 -1.95 -3.23 117.51 117.20 3hw2 h ILE 155 Ca -0.03 -0.84 0.00 0.00 1.08 0.00 0.00 64.86 65.07 3hw2 h ILE 155 Cb 1.56 1.61 0.00 0.00 -1.09 0.00 0.00 36.82 38.90 3hw2 h ILE 155 CO 0.13 0.15 -0.03 0.52 -1.08 0.00 0.00 178.15 177.84 3hw2 n VAL 156 N -3.36 0.00 -3.69 2.19 0.31 -1.20 -5.01 118.33 107.57 3hw2 n VAL 156 Ca -0.00 -0.49 -0.25 0.00 -0.01 0.00 0.00 64.34 63.59 3hw2 n VAL 156 Cb 0.35 1.01 0.06 0.00 -0.91 0.00 0.00 33.84 34.35 3hw2 n VAL 156 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3hw2 n ASP 157 N -0.65 -4.88 -3.49 4.52 2.03 -0.32 -4.90 116.55 108.87 3hw2 n ASP 157 Ca 0.00 -0.65 -0.11 0.00 0.52 0.00 0.00 54.79 54.55 3hw2 n ASP 157 Cb 0.02 -4.60 -0.03 0.00 -0.72 0.00 0.00 41.12 35.79 3hw2 n ASP 157 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3hw2 s TYR 158 N -3.35 -0.44 0.85 -0.67 5.04 -1.04 -5.01 117.35 112.73 3hw2 s TYR 158 Ca 0.49 0.40 -0.10 0.00 -2.44 0.00 0.00 57.07 55.42 3hw2 s TYR 158 Cb -0.23 0.52 0.11 0.00 0.35 0.00 0.00 41.96 42.71 3hw2 s TYR 158 CO 0.77 -0.60 1.13 -1.25 -1.34 0.00 0.00 175.55 174.25 3hw2 s PRO 159 N -2.79 1.53 -0.01 4.97 0.04 -1.26 -0.67 135.00 136.81 3hw2 s PRO 159 Ca 0.01 1.42 -0.07 0.00 0.04 0.00 0.00 61.00 62.40 3hw2 s PRO 159 Cb -0.01 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.74 3hw2 s PRO 159 CO -0.06 -2.23 0.15 -1.17 0.04 0.00 0.00 177.00 173.73 3hw2 s LEU 160 N -6.27 1.50 -0.20 -3.56 2.96 -1.06 -4.78 118.68 107.26 3hw2 s LEU 160 Ca 0.65 -0.11 -0.28 0.00 -0.22 0.00 0.00 54.13 54.17 3hw2 s LEU 160 Cb -0.21 0.68 -0.05 0.00 0.50 0.00 0.00 46.19 47.11 3hw2 s LEU 160 CO 0.56 -0.32 2.19 -2.84 -1.32 0.00 0.00 176.35 174.62 3hw2 s PRO 161 N -1.15 3.20 -0.04 0.98 0.02 -1.26 -2.54 135.00 134.21 3hw2 s PRO 161 Ca -0.12 2.05 0.10 0.00 0.02 0.00 0.00 61.00 63.05 3hw2 s PRO 161 Cb -0.07 -4.35 -0.16 0.00 0.02 0.00 0.00 34.50 29.94 3hw2 s PRO 161 CO 0.01 -2.02 0.17 -1.13 -0.33 0.00 0.00 177.00 173.70 3hw2 n SER 162 N 11.38 2.49 -3.72 2.53 3.41 0.13 -4.74 113.62 125.10 3hw2 n SER 162 Ca 0.29 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.77 3hw2 n SER 162 Cb 0.45 1.26 -0.10 0.00 -0.26 0.00 0.00 64.21 65.56 3hw2 n SER 162 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3hw2 s THR 163 N -2.59 0.00 -0.13 6.66 2.01 -0.69 -0.87 115.64 120.02 3hw2 s THR 163 Ca -0.04 -0.04 -0.09 0.00 0.31 0.00 0.00 61.69 61.83 3hw2 s THR 163 Cb 0.06 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 3hw2 s THR 163 CO 0.44 -0.02 0.18 -0.22 -0.69 0.00 0.00 174.62 174.31 3hw2 s LEU 164 N 0.08 4.34 -0.24 4.42 2.96 -0.37 0.44 118.68 130.30 3hw2 s LEU 164 Ca -0.01 0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 54.33 3hw2 s LEU 164 Cb -0.03 -2.15 0.01 0.00 0.50 0.00 0.00 46.19 44.52 3hw2 s LEU 164 CO 0.01 0.31 -0.05 0.00 -1.32 0.00 0.00 176.35 175.30 3hw2 s LEU 166 N 1.38 3.01 -0.53 0.00 1.43 -0.59 -0.25 118.68 123.14 3hw2 s LEU 166 Ca 0.02 -0.88 -0.07 0.00 -1.03 0.00 0.00 54.13 52.17 3hw2 s LEU 166 Cb -0.16 -1.62 0.14 0.00 0.03 0.00 0.00 46.19 44.58 3hw2 s LEU 166 CO -0.04 -0.11 0.37 0.21 0.23 0.00 0.00 176.35 177.01 3hw2 s ASN 167 N 1.29 5.58 0.83 2.29 3.04 -0.82 -1.46 114.94 125.70 3hw2 s ASN 167 Ca 0.00 -2.24 -0.12 0.00 0.04 0.00 0.00 52.86 50.54 3hw2 s ASN 167 Cb -0.16 -1.95 0.10 0.00 -1.54 0.00 0.00 41.25 37.70 3hw2 s ASN 167 CO -0.06 -0.57 1.19 -2.84 -3.04 0.00 0.00 177.10 171.78 3hw2 s PRO 168 N 0.86 1.71 0.34 0.43 0.02 -1.24 -2.60 135.00 134.53 3hw2 s PRO 168 Ca 0.10 -0.04 0.22 0.00 0.02 0.00 0.00 61.00 61.29 3hw2 s PRO 168 Cb -0.23 -1.95 0.20 0.00 0.02 0.00 0.00 34.50 32.54 3hw2 s PRO 168 CO -0.03 -1.73 1.41 0.00 -0.33 0.00 0.00 177.00 176.33 3hw2 h ALA 169 N -1.13 0.82 0.09 -1.55 0.00 -1.99 -3.38 119.26 112.12 3hw2 h ALA 169 Ca -0.45 -0.10 -0.35 0.00 0.00 0.00 0.00 54.91 54.01 3hw2 h ALA 169 Cb 1.31 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 3hw2 h ALA 169 CO 0.60 0.12 -1.95 0.41 0.00 0.00 0.00 179.25 178.43 3hw2 n GLY 170 N 1.15 -0.67 3.32 0.00 0.00 -1.26 -4.97 105.19 102.76 3hw2 n GLY 170 Ca 0.02 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 3hw2 n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hw2 s ALA 171 N -2.57 2.06 0.56 4.61 0.00 -1.26 -5.13 121.76 120.03 3hw2 s ALA 171 Ca -0.18 -1.28 -0.21 0.00 0.00 0.00 0.00 51.96 50.29 3hw2 s ALA 171 Cb 0.07 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3hw2 s ALA 171 CO 0.78 0.46 1.27 -2.14 0.00 0.00 0.00 175.76 176.12 3hw2 s PRO 172 N -1.69 3.13 -0.74 0.00 0.02 -1.26 -3.62 135.00 130.84 3hw2 s PRO 172 Ca 0.10 2.01 -0.35 0.00 0.02 0.00 0.00 61.00 62.78 3hw2 s PRO 172 Cb -0.10 -2.14 -0.19 0.00 0.02 0.00 0.00 34.50 32.10 3hw2 s PRO 172 CO 0.04 -1.13 2.46 -0.89 -0.33 0.00 0.00 177.00 177.15 3hw2 n ILE 173 N -1.20 0.01 -2.62 2.83 5.41 -1.26 -4.86 119.36 117.67 3hw2 n ILE 173 Ca 0.11 -0.09 -0.41 0.00 1.00 0.00 0.00 62.75 63.36 3hw2 n ILE 173 Cb 0.47 -0.81 -0.04 0.00 -0.71 0.00 0.00 39.64 38.55 3hw2 n ILE 173 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3hw2 s LEU 174 N 8.21 4.45 0.11 1.39 1.43 -0.54 -4.88 118.68 128.86 3hw2 s LEU 174 Ca 1.25 1.87 0.02 0.00 -1.03 0.00 0.00 54.13 56.25 3hw2 s LEU 174 Cb -1.20 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.40 3hw2 s LEU 174 CO 0.52 -0.21 0.20 -0.44 0.23 0.00 0.00 176.35 176.65 3hw2 s SER 175 N 0.36 6.05 -0.19 2.29 0.01 -1.26 -1.54 113.70 119.42 3hw2 s SER 175 Ca 0.50 0.11 -0.03 0.00 1.31 0.00 0.00 55.95 57.85 3hw2 s SER 175 Cb -0.25 -1.76 0.06 0.00 0.21 0.00 0.00 66.02 64.27 3hw2 s SER 175 CO 0.31 0.11 0.03 -0.69 0.41 0.00 0.00 173.24 173.40 3hw2 s VAL 176 N -1.62 0.54 0.58 3.43 1.01 -0.53 -4.93 120.40 118.88 3hw2 s VAL 176 Ca 0.33 -0.52 -0.20 0.00 0.00 0.00 0.00 61.98 61.59 3hw2 s VAL 176 Cb -0.12 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3hw2 s VAL 176 CO 0.26 -0.17 1.28 -2.16 0.00 0.00 0.00 175.10 174.31 3hw2 s PRO 177 N 1.85 3.02 0.00 2.72 0.04 -1.26 -1.24 135.00 140.13 3hw2 s PRO 177 Ca -0.01 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.05 3hw2 s PRO 177 Cb -0.17 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3hw2 s PRO 177 CO -0.08 -1.22 0.50 1.28 0.04 0.00 0.00 177.00 177.52 3hw2 n LEU 178 N -1.35 0.45 0.23 -3.56 4.77 -0.05 -4.87 117.00 112.63 3hw2 n LEU 178 Ca 0.12 -0.45 0.06 0.00 -0.03 0.00 0.00 56.01 55.71 3hw2 n LEU 178 Cb 0.47 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.90 3hw2 n LEU 178 CO 0.48 0.11 0.89 0.44 -1.33 0.00 0.00 177.39 177.99 3hw2 h ASP 179 N 0.00 0.00 -0.62 -1.43 3.32 -1.85 -1.07 116.42 114.77 3hw2 h ASP 179 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hw2 h ASP 179 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 3hw2 h ASP 179 CO 0.00 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 3hw2 n ASN 180 N -2.25 3.84 0.09 6.45 3.02 -1.26 -2.12 115.26 123.03 3hw2 n ASN 180 Ca -0.01 -2.09 -0.20 0.00 -0.03 0.00 0.00 54.58 52.25 3hw2 n ASN 180 Cb 0.53 -0.44 -0.15 0.00 -0.61 0.00 0.00 39.78 39.11 3hw2 n ASN 180 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3hw2 h ILE 181 N 3.67 1.17 -0.56 2.41 2.04 -1.53 -3.15 117.51 121.56 3hw2 h ILE 181 Ca 0.00 -2.73 -0.05 0.00 1.00 0.00 0.00 64.86 63.08 3hw2 h ILE 181 Cb 1.01 2.85 -0.02 0.00 -0.74 0.00 0.00 36.82 39.91 3hw2 h ILE 181 CO 0.04 0.84 0.16 -0.08 0.00 0.00 0.00 178.15 179.11 3hw2 h GLU 182 N 0.10 0.88 -0.12 2.37 4.81 -1.70 -3.14 114.58 117.78 3hw2 h GLU 182 Ca -0.26 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 58.78 3hw2 h GLU 182 Cb 2.07 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 31.32 3hw2 h GLU 182 CO 0.20 0.81 0.08 0.78 -0.73 0.00 0.00 179.01 180.14 3hw2 h GLY 183 N 0.79 0.14 2.00 1.92 0.00 -1.53 -0.38 103.07 106.00 3hw2 h GLY 183 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 3hw2 h GLY 183 CO -0.00 0.05 -0.04 -0.97 0.00 0.00 0.00 176.54 175.57 3hw2 h TYR 184 N 0.13 0.00 0.10 5.60 0.05 -1.49 -2.66 116.97 118.69 3hw2 h TYR 184 Ca 0.05 0.00 -0.37 0.00 0.05 0.00 0.00 58.73 58.46 3hw2 h TYR 184 Cb 0.03 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 3hw2 h TYR 184 CO -0.00 0.04 -2.07 1.28 -1.05 0.00 0.00 178.16 176.36 3hw2 n LEU 185 N -3.21 2.59 0.14 3.88 4.77 -0.19 -2.86 117.00 122.12 3hw2 n LEU 185 Ca -0.01 0.16 0.11 0.00 -0.03 0.00 0.00 56.01 56.25 3hw2 n LEU 185 Cb 0.25 -1.01 0.63 0.00 -2.33 0.00 0.00 43.42 40.95 3hw2 n LEU 185 CO 0.26 0.85 1.12 1.88 -1.33 0.00 0.00 177.39 180.17 3hw2 h TYR 186 N 0.06 0.07 -0.03 -1.77 0.05 -1.46 0.43 116.97 114.32 3hw2 h TYR 186 Ca -0.44 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.19 3hw2 h TYR 186 Cb 2.02 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 39.72 3hw2 h TYR 186 CO 0.07 0.04 -0.65 1.15 -1.05 0.00 0.00 178.16 177.72 3hw2 h THR 187 N 0.07 1.43 0.00 -2.88 2.02 -1.57 -2.37 112.91 109.61 3hw2 h THR 187 Ca 0.10 -2.15 -0.15 0.00 0.77 0.00 0.00 66.41 64.98 3hw2 h THR 187 Cb 0.32 2.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.84 3hw2 h THR 187 CO -0.01 0.62 -0.94 -0.33 0.37 0.00 0.00 175.52 175.23 3hw2 h GLU 188 N 0.08 0.00 -0.17 6.66 4.39 -0.79 -3.17 114.58 121.58 3hw2 h GLU 188 Ca -0.01 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 3hw2 h GLU 188 Cb 1.16 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.81 3hw2 h GLU 188 CO 0.09 0.49 -0.26 1.25 -1.16 0.00 0.00 179.01 179.41 3hw2 h LEU 189 N 0.00 0.52 -1.25 1.33 5.85 -0.28 -3.14 115.31 118.35 3hw2 h LEU 189 Ca -0.07 -0.53 -0.00 0.00 0.84 0.00 0.00 57.88 58.12 3hw2 h LEU 189 Cb 1.53 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.41 3hw2 h LEU 189 CO 0.07 0.95 0.00 0.54 -0.34 0.00 0.00 178.44 179.66 3hw2 n ARG 190 N -4.41 1.17 0.00 1.25 1.74 -0.89 -4.17 116.66 111.36 3hw2 n ARG 190 Ca -0.06 -0.15 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 3hw2 n ARG 190 Cb 0.45 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 3hw2 n ARG 190 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3hw2 n LYS 191 N 0.08 3.75 -1.21 5.56 4.81 -1.19 -5.02 118.16 124.95 3hw2 n LYS 191 Ca 0.02 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.07 3hw2 n LYS 191 Cb 0.33 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.38 3hw2 n LYS 191 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hw2 n GLY 192 N 5.00 -2.57 3.19 3.14 0.00 -1.26 -4.62 105.19 108.07 3hw2 n GLY 192 Ca 0.00 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3hw2 n GLY 192 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3hw2 n HIS 193 N -0.97 4.12 0.00 1.61 -0.00 -1.26 -4.52 115.22 114.19 3hw2 n HIS 193 Ca 0.10 -2.97 0.00 0.00 0.46 0.00 0.00 57.72 55.31 3hw2 n HIS 193 Cb 0.38 -2.42 0.00 0.00 -0.12 0.00 0.00 29.99 27.82 3hw2 n HIS 193 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 3hw2 n LEU 194 N 6.49 0.00 -0.26 0.27 7.94 -1.21 -4.37 117.00 125.87 3hw2 n LEU 194 Ca 0.46 0.00 0.20 0.00 -1.11 0.00 0.00 56.01 55.56 3hw2 n LEU 194 Cb 0.42 0.00 0.31 0.00 0.53 0.00 0.00 43.42 44.68 3hw2 n LEU 194 CO 0.79 0.00 0.56 0.47 -1.11 0.00 0.00 177.39 178.10 3hw2 n ASP 195 N 0.32 0.02 -0.09 1.96 8.00 -1.26 0.22 116.55 125.73 3hw2 n ASP 195 Ca 0.00 0.42 -0.07 0.00 0.71 0.00 0.00 54.79 55.85 3hw2 n ASP 195 Cb 0.00 -0.21 0.01 0.00 -0.02 0.00 0.00 41.12 40.90 3hw2 n ASP 195 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3hw2 h GLY 196 N 0.00 0.38 1.47 0.44 0.00 -1.94 0.66 103.07 104.07 3hw2 h GLY 196 Ca 0.36 -0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.59 3hw2 h GLY 196 CO -0.04 -0.01 -0.05 -0.25 0.00 0.00 0.00 176.54 176.19 3hw2 h TRP 197 N 0.19 0.69 0.00 5.60 7.01 0.24 -2.86 115.95 126.83 3hw2 h TRP 197 Ca 0.15 -0.10 0.00 0.00 2.11 0.00 0.00 58.89 61.05 3hw2 h TRP 197 Cb 0.16 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.03 3hw2 h TRP 197 CO -0.17 0.69 0.00 -0.22 -2.79 0.00 0.00 178.44 175.95 3hw2 h LYS 198 N 0.61 0.00 0.04 2.65 3.64 -1.14 -2.86 116.57 119.51 3hw2 h LYS 198 Ca 0.12 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3hw2 h LYS 198 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3hw2 h LYS 198 CO 0.02 0.00 -0.02 0.00 -2.27 0.00 0.00 179.45 177.18 3hw2 h ALA 199 N 2.15 -0.05 -0.19 5.00 0.00 0.53 -3.33 119.26 123.36 3hw2 h ALA 199 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3hw2 h ALA 199 Cb 0.60 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3hw2 h ALA 199 CO 0.00 -0.07 0.13 0.37 0.00 0.00 0.00 179.25 179.67 3hw2 h GLN 200 N -0.96 0.25 0.63 0.00 5.75 -1.51 -3.18 115.11 116.09 3hw2 h GLN 200 Ca -0.01 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 3hw2 h GLN 200 Cb 0.56 -0.06 0.01 0.00 1.07 0.00 0.00 27.48 29.06 3hw2 h GLN 200 CO 0.01 0.17 -0.30 1.49 -2.65 0.00 0.00 178.83 177.54 3hw2 h GLU 201 N 0.26 -0.82 -1.30 1.69 4.57 -1.69 0.15 114.58 117.44 3hw2 h GLU 201 Ca 0.07 0.06 0.38 0.00 -1.18 0.00 0.00 59.36 58.69 3hw2 h GLU 201 Cb -0.03 0.19 -0.08 0.00 -0.16 0.00 0.00 28.75 28.67 3hw2 h GLU 201 CO -0.02 -0.50 0.90 -0.22 -1.18 0.00 0.00 179.01 178.00 3hw2 h LYS 202 N -1.01 0.10 0.00 1.92 3.64 -1.67 0.74 116.57 120.28 3hw2 h LYS 202 Ca -0.09 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.22 3hw2 h LYS 202 Cb 0.69 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 3hw2 h LYS 202 CO 0.14 0.06 -1.48 0.00 -2.27 0.00 0.00 179.45 175.91 3hw2 n ALA 203 N -2.69 2.40 -0.05 5.00 0.00 -0.97 -3.52 120.51 120.67 3hw2 n ALA 203 Ca 0.31 -0.46 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 3hw2 n ALA 203 Cb 1.32 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 3hw2 n ALA 203 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hw2 h THR 204 N 0.00 0.21 -0.78 0.00 2.02 0.23 -3.32 112.91 111.28 3hw2 h THR 204 Ca -0.08 -1.16 0.11 0.00 0.77 0.00 0.00 66.41 66.06 3hw2 h THR 204 Cb 1.22 0.40 -0.08 0.00 -1.74 0.00 0.00 68.15 67.95 3hw2 h THR 204 CO 0.01 0.07 0.40 0.22 0.37 0.00 0.00 175.52 176.59 3hw2 h TYR 205 N -1.00 0.70 0.00 3.16 5.03 0.12 -0.19 116.97 124.79 3hw2 h TYR 205 Ca -0.00 0.03 -0.16 0.00 2.58 0.00 0.00 58.73 61.18 3hw2 h TYR 205 Cb 0.14 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.20 3hw2 h TYR 205 CO 0.02 0.23 -0.75 -0.07 -1.32 0.00 0.00 178.16 176.27 3hw2 h LEU 206 N 0.63 0.00 -0.66 2.82 3.38 -1.75 -1.46 115.31 118.28 3hw2 h LEU 206 Ca 0.40 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.30 3hw2 h LEU 206 Cb 0.47 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3hw2 h LEU 206 CO -0.30 0.75 0.17 0.00 0.09 0.00 0.00 178.44 179.14 3hw2 h ALA 207 N 1.25 0.86 -0.81 1.53 0.00 -1.34 -0.88 119.26 119.88 3hw2 h ALA 207 Ca -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3hw2 h ALA 207 Cb 1.54 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3hw2 h ALA 207 CO 0.10 0.58 0.39 0.00 0.00 0.00 0.00 179.25 180.32 3hw2 h ALA 208 N 1.07 1.04 -0.31 0.00 0.00 -0.91 -1.85 119.26 118.30 3hw2 h ALA 208 Ca 0.21 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3hw2 h ALA 208 Cb 0.35 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hw2 h ALA 208 CO 0.00 0.61 -0.24 -0.22 0.00 0.00 0.00 179.25 179.40 3hw2 h LYS 209 N 1.15 0.72 0.24 0.00 1.63 -0.97 -0.81 116.57 118.53 3hw2 h LYS 209 Ca 0.28 -0.35 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 3hw2 h LYS 209 Cb 0.11 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 3hw2 h LYS 209 CO -0.04 0.96 -0.12 0.82 -3.45 0.00 0.00 179.45 177.63 3hw2 h ILE 210 N 0.48 0.78 -0.61 2.00 2.04 -1.16 -1.07 117.51 119.96 3hw2 h ILE 210 Ca 0.06 -0.77 0.05 0.00 1.00 0.00 0.00 64.86 65.21 3hw2 h ILE 210 Cb 0.80 1.18 -0.07 0.00 -0.74 0.00 0.00 36.82 37.99 3hw2 h ILE 210 CO 0.06 0.15 -0.36 0.00 0.00 0.00 0.00 178.15 178.01 3hw2 n GLN 211 N -5.05 -0.27 -0.19 2.37 1.13 -0.70 -0.80 117.38 113.87 3hw2 n GLN 211 Ca -0.09 1.28 -0.11 0.00 -1.94 0.00 0.00 57.00 56.14 3hw2 n GLN 211 Cb 0.26 -1.90 -0.09 0.00 0.11 0.00 0.00 30.24 28.62 3hw2 n GLN 211 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 3hw2 h SER 212 N 0.00 -1.71 -0.94 1.08 0.02 -1.14 -1.23 113.55 109.64 3hw2 h SER 212 Ca 0.10 0.23 0.25 0.00 -0.84 0.00 0.00 61.79 61.53 3hw2 h SER 212 Cb 0.25 0.72 -0.13 0.00 0.14 0.00 0.00 62.40 63.37 3hw2 h SER 212 CO -0.57 -0.31 0.45 1.23 -1.14 0.00 0.00 176.83 176.48 3hw2 h GLY 213 N -0.25 1.71 0.47 -3.77 0.00 0.20 -1.03 103.07 100.39 3hw2 h GLY 213 Ca 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 3hw2 h GLY 213 CO -0.60 -0.33 -0.22 -2.22 0.00 0.00 0.00 176.54 173.16 3hw2 h ILE 214 N 0.38 0.00 -0.79 2.60 1.08 0.23 -2.74 117.51 118.28 3hw2 h ILE 214 Ca 0.62 -0.11 0.18 0.00 -0.39 0.00 0.00 64.86 65.15 3hw2 h ILE 214 Cb 1.25 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.88 3hw2 h ILE 214 CO -0.56 0.00 0.24 -0.33 -0.69 0.00 0.00 178.15 176.81 3hw2 h GLU 215 N -0.74 0.30 -0.93 2.37 5.08 -0.93 -0.70 114.58 119.03 3hw2 h GLU 215 Ca -0.06 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.35 3hw2 h GLU 215 Cb 0.48 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 3hw2 h GLU 215 CO 0.10 0.20 0.59 -0.22 -1.00 0.00 0.00 179.01 178.68 3hw2 h LYS 216 N 0.31 1.02 0.00 2.33 3.64 -1.21 -1.04 116.57 121.62 3hw2 h LYS 216 Ca 0.46 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.69 3hw2 h LYS 216 Cb 0.81 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 3hw2 h LYS 216 CO -0.52 0.67 -0.43 1.15 -2.27 0.00 0.00 179.45 178.05 3hw2 h THR 217 N 1.05 0.84 0.00 1.00 2.02 -0.82 -2.86 112.91 114.14 3hw2 h THR 217 Ca 0.41 -1.87 -0.15 0.00 0.77 0.00 0.00 66.41 65.57 3hw2 h THR 217 Cb 0.20 2.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 3hw2 h THR 217 CO -0.18 0.42 -0.72 0.74 0.37 0.00 0.00 175.52 176.15 3hw2 h THR 218 N 0.00 1.49 -0.27 3.16 2.02 -0.86 -1.13 112.91 117.32 3hw2 h THR 218 Ca -0.00 -2.50 -0.09 0.00 0.77 0.00 0.00 66.41 64.59 3hw2 h THR 218 Cb 1.15 2.36 -0.01 0.00 -1.74 0.00 0.00 68.15 69.91 3hw2 h THR 218 CO 0.06 0.71 -0.18 0.03 0.37 0.00 0.00 175.52 176.51 3hw2 h ARG 219 N 0.00 0.60 -0.13 6.66 2.47 -1.12 -2.67 114.38 120.19 3hw2 h ARG 219 Ca -0.01 -0.28 -0.18 0.00 -1.26 0.00 0.00 59.98 58.25 3hw2 h ARG 219 Cb 1.30 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.61 3hw2 h ARG 219 CO 0.09 0.87 -0.68 -0.84 0.56 0.00 0.00 179.97 179.97 3hw2 h ILE 220 N 0.33 1.34 -1.79 2.04 3.07 -1.53 -3.18 117.51 117.79 3hw2 h ILE 220 Ca 0.05 -1.99 -0.72 0.00 1.55 0.00 0.00 64.86 63.76 3hw2 h ILE 220 Cb 0.71 1.97 -0.24 0.00 -0.27 0.00 0.00 36.82 38.99 3hw2 h ILE 220 CO 0.05 0.61 1.01 0.18 -1.05 0.00 0.00 178.15 178.95 3hw2 n LEU 221 N -3.90 7.32 -0.17 0.16 4.77 -0.43 -4.73 117.00 120.02 3hw2 n LEU 221 Ca -0.04 -4.77 -0.06 0.00 -0.03 0.00 0.00 56.01 51.10 3hw2 n LEU 221 Cb 0.68 -1.14 0.03 0.00 -2.33 0.00 0.00 43.42 40.66 3hw2 n LEU 221 CO 0.49 1.82 1.08 -0.74 -1.33 0.00 0.00 177.39 178.71 3hw2 h HIS 222 N 3.31 0.61 -0.49 -1.77 2.76 -1.46 -3.21 115.15 114.91 3hw2 h HIS 222 Ca 0.54 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.70 3hw2 h HIS 222 Cb 0.24 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 3hw2 h HIS 222 CO 1.30 0.37 0.23 1.12 -1.30 0.00 0.00 177.93 179.65 3hw2 h HIS 223 N 0.66 0.71 -3.52 5.26 2.07 -1.87 -3.40 115.15 115.06 3hw2 h HIS 223 Ca 0.19 -0.04 -0.53 0.00 -2.85 0.00 0.00 60.37 57.15 3hw2 h HIS 223 Cb -0.04 -0.22 0.08 0.00 2.57 0.00 0.00 27.41 29.79 3hw2 h HIS 223 CO -0.05 0.57 0.79 0.00 -3.07 0.00 0.00 177.93 176.17 3hw2 s ALA 224 N -5.68 3.64 -0.47 6.11 0.00 -1.21 -4.90 121.76 119.24 3hw2 s ALA 224 Ca -0.13 1.44 -0.03 0.00 0.00 0.00 0.00 51.96 53.24 3hw2 s ALA 224 Cb 0.11 -3.59 0.13 0.00 0.00 0.00 0.00 23.12 19.77 3hw2 s ALA 224 CO 0.76 -0.86 2.56 -1.71 0.00 0.00 0.00 175.76 176.51 3hw2 n ASN 225 N 1.76 6.61 -4.64 0.00 2.85 -1.26 -4.97 115.26 115.62 3hw2 n ASN 225 Ca 0.05 -3.26 -0.53 0.00 -0.11 0.00 0.00 54.58 50.73 3hw2 n ASN 225 Cb 0.39 -1.18 -0.06 0.00 1.24 0.00 0.00 39.78 40.17 3hw2 n ASN 225 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 3hw2 n ILE 226 N 0.59 0.38 -0.89 -1.44 5.41 -1.26 -4.92 119.36 117.23 3hw2 n ILE 226 Ca 0.47 -0.12 -0.28 0.00 1.00 0.00 0.00 62.75 63.81 3hw2 n ILE 226 Cb 0.53 -1.56 0.22 0.00 -0.71 0.00 0.00 39.64 38.12 3hw2 n ILE 226 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3hw2 s SER 227 N 4.70 1.74 0.39 4.38 1.04 -1.26 -4.90 113.70 119.78 3hw2 s SER 227 Ca 0.99 1.29 0.21 0.00 0.48 0.00 0.00 55.95 58.92 3hw2 s SER 227 Cb -0.89 -2.01 0.38 0.00 0.10 0.00 0.00 66.02 63.61 3hw2 s SER 227 CO 0.57 -3.70 1.60 -0.08 0.98 0.00 0.00 173.24 172.61 3hw2 h GLU 228 N -2.28 0.00 0.21 4.02 4.81 -1.99 -2.97 114.58 116.39 3hw2 h GLU 228 Ca -0.58 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.63 3hw2 h GLU 228 Cb 1.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.72 3hw2 h GLU 228 CO 0.55 0.22 -0.10 1.03 -0.73 0.00 0.00 179.01 179.98 3hw2 h SER 229 N 0.00 -0.24 -0.37 1.04 0.87 -1.98 0.06 113.55 112.93 3hw2 h SER 229 Ca -0.00 -0.28 0.08 0.00 -1.23 0.00 0.00 61.79 60.36 3hw2 h SER 229 Cb 1.08 0.06 -0.08 0.00 -0.44 0.00 0.00 62.40 63.02 3hw2 h SER 229 CO 0.03 0.21 -0.22 0.74 -0.53 0.00 0.00 176.83 177.06 3hw2 h THR 230 N -0.76 0.40 -0.53 2.23 2.02 -1.94 2.16 112.91 116.49 3hw2 h THR 230 Ca -0.03 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.26 3hw2 h THR 230 Cb 0.51 0.40 -0.10 0.00 -1.74 0.00 0.00 68.15 67.21 3hw2 h THR 230 CO 0.05 0.00 -0.16 1.56 0.37 0.00 0.00 175.52 177.34 3hw2 h GLN 231 N -0.16 -0.03 0.07 6.66 4.20 -1.54 0.29 115.11 124.60 3hw2 h GLN 231 Ca 0.18 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 3hw2 h GLN 231 Cb 0.44 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3hw2 h GLN 231 CO -0.47 -0.02 -0.03 0.37 -0.67 0.00 0.00 178.83 178.01 3hw2 h GLN 232 N -0.04 -0.09 0.00 1.46 5.75 0.62 -2.60 115.11 120.21 3hw2 h GLN 232 Ca 0.25 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.75 3hw2 h GLN 232 Cb 0.42 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.99 3hw2 h GLN 232 CO -0.56 0.28 -0.05 -0.91 -2.65 0.00 0.00 178.83 174.93 3hw2 h ASN 233 N -0.48 0.00 0.43 -0.69 2.35 0.40 -1.90 115.58 115.68 3hw2 h ASN 233 Ca -0.01 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.43 3hw2 h ASN 233 Cb 0.41 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.79 3hw2 h ASN 233 CO 0.02 0.05 -1.49 0.00 -1.65 0.00 0.00 177.43 174.36 3hw2 h ALA 234 N 1.95 0.14 -0.40 -0.83 0.00 -0.48 -3.01 119.26 116.63 3hw2 h ALA 234 Ca -0.00 -1.02 0.04 0.00 0.00 0.00 0.00 54.91 53.93 3hw2 h ALA 234 Cb 0.12 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3hw2 h ALA 234 CO 0.01 1.01 0.17 0.35 0.00 0.00 0.00 179.25 180.79 3hw2 h PHE 235 N 0.09 0.32 -0.01 0.00 3.57 -0.95 -2.03 116.94 117.92 3hw2 h PHE 235 Ca -0.23 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.22 3hw2 h PHE 235 Cb 2.05 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.69 3hw2 h PHE 235 CO 0.08 0.15 -0.29 -0.07 -2.23 0.00 0.00 178.31 175.95 3hw2 h LEU 236 N 0.36 0.02 -0.39 0.59 3.38 -1.53 -2.57 115.31 115.17 3hw2 h LEU 236 Ca 0.17 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3hw2 h LEU 236 Cb 0.12 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3hw2 h LEU 236 CO -0.15 0.30 0.04 -0.08 0.09 0.00 0.00 178.44 178.64 3hw2 h GLU 237 N 0.02 0.66 0.09 1.13 4.57 -1.23 -1.02 114.58 118.80 3hw2 h GLU 237 Ca -0.00 -0.19 -0.28 0.00 -1.18 0.00 0.00 59.36 57.71 3hw2 h GLU 237 Cb 0.51 -0.07 0.02 0.00 -0.16 0.00 0.00 28.75 29.05 3hw2 h GLU 237 CO 0.04 0.73 -1.17 1.79 -1.18 0.00 0.00 179.01 179.23 3hw2 h THR 238 N 0.50 1.35 -0.86 0.32 1.35 -1.48 -0.48 112.91 113.60 3hw2 h THR 238 Ca 0.11 -2.55 0.14 0.00 -0.55 0.00 0.00 66.41 63.56 3hw2 h THR 238 Cb 0.41 2.66 -0.07 0.00 -1.73 0.00 0.00 68.15 69.42 3hw2 h THR 238 CO 0.01 0.77 0.56 0.24 -0.25 0.00 0.00 175.52 176.85 3hw2 h MET 239 N 0.24 0.65 0.37 4.72 2.86 -1.43 -1.11 114.93 121.22 3hw2 h MET 239 Ca -0.15 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 3hw2 h MET 239 Cb 1.84 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 33.35 3hw2 h MET 239 CO 0.21 0.43 -0.18 0.00 1.06 0.00 0.00 176.91 178.44 3hw2 h ALA 240 N 1.60 -0.71 0.00 6.32 0.00 -1.03 0.57 119.26 126.01 3hw2 h ALA 240 Ca 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3hw2 h ALA 240 Cb 0.68 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3hw2 h ALA 240 CO -0.18 -0.67 0.24 0.52 0.00 0.00 0.00 179.25 179.16 3hw2 h MET 241 N -0.76 0.00 0.00 0.00 2.86 -0.83 1.42 114.93 117.62 3hw2 h MET 241 Ca -0.05 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 3hw2 h MET 241 Cb 0.38 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 3hw2 h MET 241 CO 0.08 0.00 -1.69 0.00 1.06 0.00 0.00 176.91 176.37 3hw2 n GLY 243 N 1.27 0.79 3.91 0.00 0.00 0.48 -5.06 105.19 106.59 3hw2 n GLY 243 Ca -0.05 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 3hw2 n GLY 243 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hw2 s LEU 244 N 0.00 4.22 0.14 0.99 1.43 0.19 -5.00 118.68 120.65 3hw2 s LEU 244 Ca 0.00 0.57 0.07 0.00 -1.03 0.00 0.00 54.13 53.74 3hw2 s LEU 244 Cb 0.00 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.86 3hw2 s LEU 244 CO 0.00 -0.01 -0.17 -0.75 0.23 0.00 0.00 176.35 175.65 3hw2 s LYS 245 N -2.97 1.14 -0.77 1.70 2.20 -1.26 -4.50 119.74 115.27 3hw2 s LYS 245 Ca 0.41 -1.29 0.02 0.00 -0.36 0.00 0.00 55.97 54.74 3hw2 s LYS 245 Cb -0.12 -1.14 0.34 0.00 -1.51 0.00 0.00 37.83 35.41 3hw2 s LYS 245 CO 0.26 0.23 1.44 0.94 -0.36 0.00 0.00 175.35 177.87 3hw2 n GLN 246 N 0.51 4.08 -3.79 4.03 7.27 -1.26 -4.77 117.38 123.45 3hw2 n GLN 246 Ca -0.15 -4.59 -0.29 0.00 0.07 0.00 0.00 57.00 52.03 3hw2 n GLN 246 Cb 0.57 -2.33 -0.15 0.00 2.41 0.00 0.00 30.24 30.73 3hw2 n GLN 246 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3hw2 s LEU 247 N -3.89 2.21 0.00 1.69 1.02 -1.26 -3.46 118.68 114.99 3hw2 s LEU 247 Ca 0.45 -1.39 0.00 0.00 0.02 0.00 0.00 54.13 53.21 3hw2 s LEU 247 Cb 0.28 -0.91 0.00 0.00 0.02 0.00 0.00 46.19 45.58 3hw2 s LEU 247 CO -0.17 -0.35 0.00 1.21 0.02 0.00 0.00 176.35 177.05 3hw2 n GLU 248 N 4.82 0.00 -0.85 1.70 2.13 -1.26 -4.96 120.64 122.22 3hw2 n GLU 248 Ca -0.05 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.43 3hw2 n GLU 248 Cb 0.44 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.09 3hw2 n GLU 248 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3hw2 n ILE 249 N 0.00 0.00 -3.13 6.31 5.41 -1.22 -3.23 119.36 123.49 3hw2 n ILE 249 Ca 0.00 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.34 3hw2 n ILE 249 Cb 0.00 -0.25 -0.07 0.00 -0.71 0.00 0.00 39.64 38.61 3hw2 n ILE 249 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3hw2 s PRO 250 N 1.77 3.88 -0.75 0.38 0.05 -1.26 -5.02 135.00 134.05 3hw2 s PRO 250 Ca 0.54 0.25 -0.27 0.00 0.05 0.00 0.00 61.00 61.57 3hw2 s PRO 250 Cb -0.76 -3.73 -0.15 0.00 0.05 0.00 0.00 34.50 29.91 3hw2 s PRO 250 CO 0.40 -0.57 2.53 -0.35 0.05 0.00 0.00 177.00 179.07 3hw2 n PRO 251 N 5.85 0.52 -1.61 0.56 -0.04 -1.20 -4.83 135.00 134.25 3hw2 n PRO 251 Ca -0.02 -0.04 -0.53 0.00 -0.04 0.00 0.00 63.50 62.87 3hw2 n PRO 251 Cb 0.49 -2.51 -0.06 0.00 -0.04 0.00 0.00 33.50 31.37 3hw2 n PRO 251 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3hw2 n PRO 252 N 8.63 1.07 0.01 0.54 -0.02 -1.26 -4.87 135.00 139.10 3hw2 n PRO 252 Ca 0.51 0.39 0.12 0.00 -2.02 0.00 0.00 63.50 62.50 3hw2 n PRO 252 Cb 0.30 -2.03 0.18 0.00 -0.02 0.00 0.00 33.50 31.93 3hw2 n PRO 252 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3hw2 n HIS 253 N 2.93 0.06 0.48 6.00 8.25 -1.26 -3.76 115.22 127.92 3hw2 n HIS 253 Ca 0.20 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 3hw2 n HIS 253 Cb 0.17 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.02 3hw2 n HIS 253 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3hw2 n THR 254 N -1.58 0.00 -3.96 1.59 -2.24 -1.26 -4.60 114.28 102.23 3hw2 n THR 254 Ca 0.05 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.54 3hw2 n THR 254 Cb 0.35 -0.33 -0.16 0.00 -2.10 0.00 0.00 70.33 68.09 3hw2 n THR 254 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3hw2 s HIS 255 N -1.82 2.04 -0.39 4.78 5.04 -1.25 -5.10 115.29 118.60 3hw2 s HIS 255 Ca 0.00 -1.26 -0.20 0.00 -1.54 0.00 0.00 55.06 52.07 3hw2 s HIS 255 Cb 0.00 -1.49 0.01 0.00 0.04 0.00 0.00 32.58 31.14 3hw2 s HIS 255 CO 0.00 -0.66 0.59 0.42 -2.34 0.00 0.00 174.74 172.75 3hw2 s ILE 256 N 1.52 4.92 0.48 0.89 -1.09 -1.26 -5.06 121.20 121.60 3hw2 s ILE 256 Ca 0.02 0.30 -0.21 0.00 -2.23 0.00 0.00 60.65 58.53 3hw2 s ILE 256 Cb -0.15 -4.08 -0.08 0.00 -1.58 0.00 0.00 42.46 36.57 3hw2 s ILE 256 CO -0.09 -0.39 1.05 -2.16 -1.23 0.00 0.00 174.94 172.13 3hw2 s PRO 257 N 2.62 3.81 0.22 2.79 0.04 -1.26 -4.84 135.00 138.38 3hw2 s PRO 257 Ca 0.21 1.41 -0.08 0.00 0.04 0.00 0.00 61.00 62.58 3hw2 s PRO 257 Cb -0.15 -2.15 0.25 0.00 0.04 0.00 0.00 34.50 32.50 3hw2 s PRO 257 CO 0.16 -0.43 1.83 0.82 0.04 0.00 0.00 177.00 179.41 3hw2 h ILE 258 N 1.62 1.01 -0.50 0.56 2.04 -1.97 0.19 117.51 120.46 3hw2 h ILE 258 Ca -0.49 -0.27 0.07 0.00 1.00 0.00 0.00 64.86 65.17 3hw2 h ILE 258 Cb 1.22 0.15 -0.10 0.00 -0.74 0.00 0.00 36.82 37.36 3hw2 h ILE 258 CO 0.59 0.14 -0.47 -0.33 0.00 0.00 0.00 178.15 178.09 3hw2 h GLU 259 N 0.79 -0.28 0.28 2.37 5.08 -1.95 0.06 114.58 120.93 3hw2 h GLU 259 Ca 0.31 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 3hw2 h GLU 259 Cb 0.15 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3hw2 h GLU 259 CO -0.17 -0.19 -0.13 -0.22 -1.00 0.00 0.00 179.01 177.30 3hw2 h LYS 260 N -0.29 -0.36 -0.79 2.33 3.11 -1.82 -2.82 116.57 115.93 3hw2 h LYS 260 Ca 0.14 0.02 0.19 0.00 -2.81 0.00 0.00 60.65 58.19 3hw2 h LYS 260 Cb 0.57 0.08 -0.15 0.00 -1.00 0.00 0.00 32.23 31.74 3hw2 h LYS 260 CO -0.64 -0.13 -0.08 -1.33 -2.81 0.00 0.00 179.45 174.46 3hw2 n MET 261 N -5.18 -0.07 0.03 1.90 2.81 0.62 -0.50 117.12 116.73 3hw2 n MET 261 Ca -0.10 1.20 -0.13 0.00 -1.81 0.00 0.00 57.70 56.87 3hw2 n MET 261 Cb 0.21 -1.85 -0.09 0.00 -0.71 0.00 0.00 33.22 30.78 3hw2 n MET 261 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3hw2 h VAL 262 N 0.00 1.16 -0.82 2.03 2.07 -0.88 -2.29 116.25 117.52 3hw2 h VAL 262 Ca 0.43 -0.90 0.18 0.00 0.82 0.00 0.00 66.70 67.23 3hw2 h VAL 262 Cb 0.80 1.73 -0.11 0.00 -1.52 0.00 0.00 31.29 32.19 3hw2 h VAL 262 CO -0.77 0.22 0.32 0.11 0.02 0.00 0.00 177.57 177.47 3hw2 h LYS 263 N -0.52 0.39 0.54 1.57 1.57 -0.55 -2.23 116.57 117.35 3hw2 h LYS 263 Ca -0.01 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3hw2 h LYS 263 Cb 0.44 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3hw2 h LYS 263 CO 0.02 0.26 -0.27 0.93 -0.57 0.00 0.00 179.45 179.81 3hw2 h GLU 264 N 0.40 -0.72 -1.29 3.15 4.39 -0.90 -2.47 114.58 117.13 3hw2 h GLU 264 Ca 0.48 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.23 3hw2 h GLU 264 Cb 0.83 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 3hw2 h GLU 264 CO -0.48 -0.48 0.00 1.55 -1.16 0.00 0.00 179.01 178.44 3hw2 n VAL 265 N -5.42 0.66 0.00 3.13 3.14 -0.85 -0.98 118.33 118.00 3hw2 n VAL 265 Ca -0.12 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 3hw2 n VAL 265 Cb 0.31 -0.82 0.00 0.00 -1.06 0.00 0.00 33.84 32.27 3hw2 n VAL 265 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3hw2 n LEU 266 N 0.64 0.00 -0.10 6.55 4.77 -0.98 -4.88 117.00 123.00 3hw2 n LEU 266 Ca 0.00 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.85 3hw2 n LEU 266 Cb 0.33 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 3hw2 n LEU 266 CO 0.00 0.00 0.87 0.25 -1.33 0.00 0.00 177.39 177.18 3hw2 h LEU 267 N 0.00 0.44 -5.51 2.23 5.85 -0.63 -3.33 115.31 114.37 3hw2 h LEU 267 Ca 0.00 -0.19 -0.71 0.00 0.84 0.00 0.00 57.88 57.82 3hw2 h LEU 267 Cb 0.00 -0.12 -0.17 0.00 0.37 0.00 0.00 40.66 40.74 3hw2 h LEU 267 CO 0.00 0.51 1.66 0.00 -0.34 0.00 0.00 178.44 180.28 3hw2 n ALA 268 N -2.29 6.58 -3.81 1.25 0.00 -1.26 -4.70 120.51 116.29 3hw2 n ALA 268 Ca -0.02 -3.99 -0.29 0.00 0.00 0.00 0.00 53.44 49.14 3hw2 n ALA 268 Cb 0.15 -2.49 -0.16 0.00 0.00 0.00 0.00 19.45 16.96 3hw2 n ALA 268 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hw2 s ASP 269 N -0.06 3.61 0.00 0.00 1.11 -1.25 -4.95 116.67 115.12 3hw2 s ASP 269 Ca 0.52 -1.23 0.08 0.00 0.18 0.00 0.00 52.55 52.09 3hw2 s ASP 269 Cb 0.24 -0.89 0.41 0.00 1.07 0.00 0.00 42.92 43.75 3hw2 s ASP 269 CO -0.15 -0.32 1.03 0.29 1.18 0.00 0.00 175.17 177.20 3hw2 n LYS 270 N 4.85 0.16 -0.11 8.23 4.76 -1.26 0.10 118.16 134.89 3hw2 n LYS 270 Ca -0.07 0.13 -0.20 0.00 -2.87 0.00 0.00 58.31 55.30 3hw2 n LYS 270 Cb 0.44 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 32.05 3hw2 n LYS 270 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3hw2 n THR 271 N -1.18 1.51 -0.04 -0.18 -2.24 -1.26 -4.47 114.28 106.42 3hw2 n THR 271 Ca 0.04 -0.08 -0.21 0.00 -2.27 0.00 0.00 64.05 61.54 3hw2 n THR 271 Cb 0.05 -2.08 -0.13 0.00 -2.10 0.00 0.00 70.33 66.07 3hw2 n THR 271 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3hw2 h PHE 272 N -1.00 0.22 -0.29 4.78 3.57 -1.72 -3.05 116.94 119.45 3hw2 h PHE 272 Ca -0.37 -0.16 0.07 0.00 3.53 0.00 0.00 57.97 61.04 3hw2 h PHE 272 Cb 1.24 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.90 3hw2 h PHE 272 CO -0.05 1.47 -0.18 0.37 -2.23 0.00 0.00 178.31 177.68 3hw2 h GLN 273 N -0.63 -0.15 0.00 1.11 4.15 -0.52 0.14 115.11 119.21 3hw2 h GLN 273 Ca -0.29 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.12 3hw2 h GLN 273 Cb 1.50 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 29.22 3hw2 h GLN 273 CO -0.05 -0.10 -0.10 0.00 -1.93 0.00 0.00 178.83 176.66 3hw2 h ALA 274 N 1.03 1.06 -0.14 3.38 0.00 -1.73 -2.76 119.26 120.10 3hw2 h ALA 274 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hw2 h ALA 274 Cb 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3hw2 h ALA 274 CO -0.39 0.12 0.03 0.35 0.00 0.00 0.00 179.25 179.36 3hw2 h PHE 275 N 0.00 0.24 -0.87 0.00 3.04 -0.88 -3.20 116.94 115.27 3hw2 h PHE 275 Ca -0.00 -0.03 0.22 0.00 3.98 0.00 0.00 57.97 62.13 3hw2 h PHE 275 Cb 0.52 -0.07 -0.05 0.00 2.56 0.00 0.00 35.95 38.91 3hw2 h PHE 275 CO 0.00 0.39 0.59 1.25 -2.02 0.00 0.00 178.31 178.52 3hw2 h LEU 276 N 0.01 0.25 -4.29 0.59 5.85 -1.05 -1.01 115.31 115.66 3hw2 h LEU 276 Ca 0.04 0.03 -0.50 0.00 0.84 0.00 0.00 57.88 58.29 3hw2 h LEU 276 Cb 0.28 -0.02 -0.19 0.00 0.37 0.00 0.00 40.66 41.10 3hw2 h LEU 276 CO 0.00 0.10 0.50 0.52 -0.34 0.00 0.00 178.44 179.22 3hw2 n VAL 277 N -4.43 3.24 -3.67 1.05 0.31 -1.21 -4.58 118.33 109.06 3hw2 n VAL 277 Ca 0.18 -2.80 -0.09 0.00 -0.01 0.00 0.00 64.34 61.63 3hw2 n VAL 277 Cb 0.77 -1.47 -0.09 0.00 -0.91 0.00 0.00 33.84 32.15 3hw2 n VAL 277 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3hw2 s THR 278 N -2.73 -0.02 -1.08 2.52 2.01 -0.39 -4.89 115.64 111.06 3hw2 s THR 278 Ca 0.52 0.05 -0.06 0.00 0.31 0.00 0.00 61.69 62.50 3hw2 s THR 278 Cb 0.37 -0.81 -0.06 0.00 0.01 0.00 0.00 72.50 72.00 3hw2 s THR 278 CO -0.18 0.02 0.92 -0.67 -0.69 0.00 0.00 174.62 174.02 3hw2 n ASP 279 N 4.31 -6.01 -4.18 3.53 2.03 -1.26 -4.95 116.55 110.02 3hw2 n ASP 279 Ca -0.21 -0.72 -0.44 0.00 0.52 0.00 0.00 54.79 53.94 3hw2 n ASP 279 Cb 0.57 -5.06 0.00 0.00 -0.72 0.00 0.00 41.12 35.91 3hw2 n ASP 279 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3hw2 n PRO 280 N -3.41 3.69 0.00 -0.67 -0.04 -1.26 -4.28 135.00 129.03 3hw2 n PRO 280 Ca -0.10 -4.02 0.00 0.00 -0.04 0.00 0.00 63.50 59.34 3hw2 n PRO 280 Cb 0.62 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 3hw2 n PRO 280 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3hw2 n SER 281 N 3.70 3.73 0.00 3.54 7.64 -1.26 -4.07 113.62 126.89 3hw2 n SER 281 Ca 0.33 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.21 3hw2 n SER 281 Cb 0.38 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 3hw2 n SER 281 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3hw2 n THR 282 N -2.22 0.00 0.00 0.44 -1.04 -1.26 -4.89 114.28 105.31 3hw2 n THR 282 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3hw2 n THR 282 Cb 0.44 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 3hw2 n THR 282 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3hw2 n SER 283 N -0.22 0.00 0.00 8.00 2.88 -1.26 -4.32 113.62 118.70 3hw2 n SER 283 Ca 0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 3hw2 n SER 283 Cb 0.11 0.00 0.50 0.00 -0.75 0.00 0.00 64.21 64.07 3hw2 n SER 283 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 3hw2 n GLN 284 N 0.00 0.28 0.19 -1.46 7.27 -1.26 -3.44 117.38 118.96 3hw2 n GLN 284 Ca 0.00 0.10 -0.14 0.00 0.07 0.00 0.00 57.00 57.03 3hw2 n GLN 284 Cb 0.00 -1.50 -0.08 0.00 2.41 0.00 0.00 30.24 31.07 3hw2 n GLN 284 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 3hw2 h SER 285 N 0.00 -0.43 0.77 1.69 0.02 -1.90 -3.26 113.55 110.45 3hw2 h SER 285 Ca 0.00 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 60.75 3hw2 h SER 285 Cb 0.19 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 3hw2 h SER 285 CO 0.00 -0.09 -0.36 -0.03 -1.14 0.00 0.00 176.83 175.21 3hw2 h MET 286 N -0.80 0.00 0.02 3.45 1.85 -1.75 -3.30 114.93 114.40 3hw2 h MET 286 Ca -0.05 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.04 3hw2 h MET 286 Cb 0.53 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.56 3hw2 h MET 286 CO 0.08 0.36 -0.01 1.25 -0.40 0.00 0.00 176.91 178.20 3hw2 h LEU 287 N 0.00 -0.02 -2.48 3.39 5.85 -1.66 -2.81 115.31 117.58 3hw2 h LEU 287 Ca -0.00 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 3hw2 h LEU 287 Cb 0.84 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 3hw2 h LEU 287 CO 0.05 0.23 -0.01 0.00 -0.34 0.00 0.00 178.44 178.36 3hw2 h ALA 288 N 0.71 1.08 0.09 1.25 0.00 -1.63 -0.72 119.26 120.04 3hw2 h ALA 288 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hw2 h ALA 288 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hw2 h ALA 288 CO 0.00 0.02 -0.04 1.49 0.00 0.00 0.00 179.25 180.72 3hw2 h GLU 289 N 0.00 -0.11 -0.38 0.00 4.81 -1.69 -2.60 114.58 114.61 3hw2 h GLU 289 Ca -0.00 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 3hw2 h GLU 289 Cb 0.15 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.47 3hw2 h GLU 289 CO 0.00 0.22 -0.35 0.82 -0.73 0.00 0.00 179.01 178.98 3hw2 h ILE 290 N -0.99 0.21 0.09 2.32 2.04 -1.19 0.75 117.51 120.74 3hw2 h ILE 290 Ca -0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 3hw2 h ILE 290 Cb 0.39 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 3hw2 h ILE 290 CO 0.02 0.00 -0.40 0.58 0.00 0.00 0.00 178.15 178.35 3hw2 h VAL 291 N -0.28 0.19 0.30 1.67 2.07 -1.31 -0.95 116.25 117.94 3hw2 h VAL 291 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 3hw2 h VAL 291 Cb 0.55 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3hw2 h VAL 291 CO -0.53 0.00 -0.47 -0.08 0.02 0.00 0.00 177.57 176.51 3hw2 h GLU 292 N -0.62 -0.80 -0.99 1.57 4.81 -0.87 -0.52 114.58 117.17 3hw2 h GLU 292 Ca 0.03 0.05 0.25 0.00 -0.13 0.00 0.00 59.36 59.56 3hw2 h GLU 292 Cb 0.66 0.18 -0.07 0.00 0.63 0.00 0.00 28.75 30.14 3hw2 h GLU 292 CO -0.25 -0.53 0.66 0.00 -0.73 0.00 0.00 179.01 178.16 3hw2 h ALA 293 N -0.53 2.36 0.39 2.92 0.00 0.58 0.20 119.26 125.17 3hw2 h ALA 293 Ca -0.02 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3hw2 h ALA 293 Cb 0.77 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3hw2 h ALA 293 CO -0.16 -0.70 -0.19 0.82 0.00 0.00 0.00 179.25 179.02 3hw2 h ILE 294 N 0.33 0.41 -0.75 0.00 2.04 -0.03 -3.31 117.51 116.20 3hw2 h ILE 294 Ca 0.53 -0.64 0.15 0.00 1.00 0.00 0.00 64.86 65.90 3hw2 h ILE 294 Cb 1.47 0.63 -0.14 0.00 -0.74 0.00 0.00 36.82 38.04 3hw2 h ILE 294 CO -0.20 0.08 -0.22 0.28 0.00 0.00 0.00 178.15 178.09 3hw2 h SER 295 N -0.98 -0.81 -0.58 1.72 0.02 0.55 0.12 113.55 113.59 3hw2 h SER 295 Ca -0.05 0.23 0.11 0.00 -0.84 0.00 0.00 61.79 61.24 3hw2 h SER 295 Cb 0.54 0.50 -0.11 0.00 0.14 0.00 0.00 62.40 63.47 3hw2 h SER 295 CO 0.09 -0.26 -0.29 0.44 -1.14 0.00 0.00 176.83 175.67 3hw2 h ASP 296 N -0.03 -0.99 -0.51 3.07 5.19 -1.52 0.71 116.42 122.34 3hw2 h ASP 296 Ca 0.35 0.21 -0.08 0.00 -0.62 0.00 0.00 57.03 56.89 3hw2 h ASP 296 Cb 0.56 0.52 -0.02 0.00 0.18 0.00 0.00 39.33 40.57 3hw2 h ASP 296 CO -0.78 -0.28 -0.00 1.56 -3.12 0.00 0.00 179.24 176.61 3hw2 h GLN 297 N -0.13 0.91 -0.59 3.56 4.20 -1.08 0.91 115.11 122.89 3hw2 h GLN 297 Ca 0.25 -0.29 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 3hw2 h GLN 297 Cb 0.53 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 3hw2 h GLN 297 CO -0.66 0.93 0.13 0.28 -0.67 0.00 0.00 178.83 178.85 3hw2 h VAL 298 N 0.78 1.25 0.26 -0.54 2.07 -0.71 0.44 116.25 119.80 3hw2 h VAL 298 Ca 0.15 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 3hw2 h VAL 298 Cb 0.52 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3hw2 h VAL 298 CO 0.03 0.34 -0.13 0.15 0.02 0.00 0.00 177.57 177.98 3hw2 h PHE 299 N 0.85 -0.32 -0.57 1.57 3.04 0.73 -2.51 116.94 119.74 3hw2 h PHE 299 Ca 0.18 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.19 3hw2 h PHE 299 Cb 0.36 0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.95 3hw2 h PHE 299 CO 0.03 -0.13 0.38 1.25 -2.02 0.00 0.00 178.31 177.81 3hw2 h HIS 300 N -0.45 0.53 -0.84 0.41 2.76 0.12 0.27 115.15 117.95 3hw2 h HIS 300 Ca -0.04 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.19 3hw2 h HIS 300 Cb 0.34 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 29.08 3hw2 h HIS 300 CO -0.03 0.29 0.55 0.00 -1.30 0.00 0.00 177.93 177.44 3hw2 h ALA 301 N 1.69 1.50 0.04 5.26 0.00 0.07 0.66 119.26 128.48 3hw2 h ALA 301 Ca 0.24 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3hw2 h ALA 301 Cb 0.28 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hw2 h ALA 301 CO -0.07 0.41 -0.02 0.82 0.00 0.00 0.00 179.25 180.39 3hw2 h ILE 302 N 1.02 0.99 0.00 0.00 2.04 -0.06 -3.40 117.51 118.11 3hw2 h ILE 302 Ca 0.34 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.59 3hw2 h ILE 302 Cb 0.07 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 3hw2 h ILE 302 CO -0.10 0.32 -1.42 0.49 0.00 0.00 0.00 178.15 177.44 3hw2 n PHE 303 N -4.74 0.00 -3.48 1.37 3.01 -0.59 -5.00 117.46 108.03 3hw2 n PHE 303 Ca -0.06 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.21 3hw2 n PHE 303 Cb 0.27 -0.24 0.07 0.00 -0.01 0.00 0.00 39.48 39.57 3hw2 n PHE 303 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3hw2 n ARG 304 N -1.83 -4.75 -4.79 -1.08 1.74 0.22 -5.03 116.66 101.14 3hw2 n ARG 304 Ca -0.00 0.76 -0.25 0.00 -0.77 0.00 0.00 57.85 57.59 3hw2 n ARG 304 Cb 0.40 -5.55 -0.16 0.00 -1.02 0.00 0.00 32.46 26.13 3hw2 n ARG 304 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3hw2 s ILE 305 N -3.46 1.33 -0.95 0.55 1.01 -1.26 -5.09 121.20 113.33 3hw2 s ILE 305 Ca 0.14 -0.70 -0.19 0.00 0.00 0.00 0.00 60.65 59.90 3hw2 s ILE 305 Cb -0.03 -1.12 0.12 0.00 0.01 0.00 0.00 42.46 41.44 3hw2 s ILE 305 CO 0.76 0.38 1.19 -0.62 0.00 0.00 0.00 174.94 176.65 3hw2 s ASP 306 N -0.20 6.62 0.38 3.58 3.68 -1.26 -4.17 116.67 125.30 3hw2 s ASP 306 Ca 0.02 -1.99 0.23 0.00 2.13 0.00 0.00 52.55 52.95 3hw2 s ASP 306 Cb -0.08 -2.42 1.36 0.00 -1.45 0.00 0.00 42.92 40.32 3hw2 s ASP 306 CO 0.00 -1.12 1.54 -0.81 0.13 0.00 0.00 175.17 174.91 3hw2 n PRO 307 N 6.87 -0.05 -0.26 4.34 -0.04 -1.26 0.76 135.00 145.36 3hw2 n PRO 307 Ca 0.26 1.32 -0.05 0.00 -0.04 0.00 0.00 63.50 64.99 3hw2 n PRO 307 Cb 0.49 -2.42 0.06 0.00 -0.04 0.00 0.00 33.50 31.59 3hw2 n PRO 307 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3hw2 h GLN 308 N 0.00 0.93 -0.67 0.54 1.08 -1.97 -2.02 115.11 112.99 3hw2 h GLN 308 Ca 0.84 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.99 3hw2 h GLN 308 Cb 2.35 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 29.53 3hw2 h GLN 308 CO -0.68 0.61 0.45 0.00 -0.95 0.00 0.00 178.83 178.26 3hw2 h ALA 309 N 1.27 1.53 0.83 3.87 0.00 -0.07 0.15 119.26 126.84 3hw2 h ALA 309 Ca 0.27 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3hw2 h ALA 309 Cb -0.09 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.44 3hw2 h ALA 309 CO -0.07 0.43 -0.40 0.82 0.00 0.00 0.00 179.25 180.03 3hw2 h ILE 310 N 0.90 0.01 -0.88 0.00 1.08 -1.39 -1.65 117.51 115.58 3hw2 h ILE 310 Ca 0.25 -0.18 0.24 0.00 -0.39 0.00 0.00 64.86 64.78 3hw2 h ILE 310 Cb -0.08 0.02 -0.15 0.00 -3.07 0.00 0.00 36.82 33.54 3hw2 h ILE 310 CO -0.06 0.00 0.17 -0.61 -0.69 0.00 0.00 178.15 176.97 3hw2 h GLN 311 N -1.29 0.15 0.70 2.37 4.15 -0.55 0.47 115.11 121.11 3hw2 h GLN 311 Ca -0.11 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.27 3hw2 h GLN 311 Cb 0.86 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.51 3hw2 h GLN 311 CO 0.19 0.10 -0.39 0.87 -1.93 0.00 0.00 178.83 177.66 3hw2 h LYS 312 N 0.15 -0.98 0.00 1.69 1.57 -0.71 0.35 116.57 118.64 3hw2 h LYS 312 Ca 0.55 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 3hw2 h LYS 312 Cb 1.10 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.64 3hw2 h LYS 312 CO -0.71 -0.65 0.04 0.00 -0.57 0.00 0.00 179.45 177.56 3hw2 h MET 313 N -1.02 0.00 0.13 3.15 -0.00 0.61 0.93 114.93 118.73 3hw2 h MET 313 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.60 3hw2 h MET 313 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.41 3hw2 h MET 313 CO 0.12 0.00 -0.06 0.00 -0.00 0.00 0.00 176.91 176.96 3hw2 h ALA 314 N 1.92 -0.17 -0.27 -3.00 0.00 0.24 -0.77 119.26 117.20 3hw2 h ALA 314 Ca 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.83 3hw2 h ALA 314 Cb 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3hw2 h ALA 314 CO 0.00 -0.19 0.55 0.93 0.00 0.00 0.00 179.25 180.54 3hw2 h GLU 315 N -0.99 0.00 0.15 0.00 5.08 0.27 0.17 114.58 119.27 3hw2 h GLU 315 Ca -0.02 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.02 3hw2 h GLU 315 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3hw2 h GLU 315 CO 0.03 0.00 -1.61 0.93 -1.00 0.00 0.00 179.01 177.36 3hw2 h GLU 316 N 0.00 0.33 -0.22 2.33 5.08 0.74 -3.19 114.58 119.65 3hw2 h GLU 316 Ca 0.13 -0.56 0.06 0.00 -1.00 0.00 0.00 59.36 57.99 3hw2 h GLU 316 Cb 1.23 0.21 -0.07 0.00 0.50 0.00 0.00 28.75 30.61 3hw2 h GLU 316 CO -0.00 1.27 -0.28 1.96 -1.00 0.00 0.00 179.01 180.95 3hw2 h GLN 317 N -0.07 -0.29 -0.68 2.33 1.08 0.57 -1.59 115.11 116.45 3hw2 h GLN 317 Ca -0.33 0.02 0.09 0.00 -1.45 0.00 0.00 58.65 56.98 3hw2 h GLN 317 Cb 1.95 0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 29.38 3hw2 h GLN 317 CO 0.12 -0.20 0.32 1.25 -0.95 0.00 0.00 178.83 179.37 3hw2 h LEU 318 N -0.31 0.39 -0.27 1.46 5.85 -1.49 0.46 115.31 121.40 3hw2 h LEU 318 Ca 0.13 0.06 -0.18 0.00 0.84 0.00 0.00 57.88 58.73 3hw2 h LEU 318 Cb 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3hw2 h LEU 318 CO -0.40 0.23 -0.54 0.71 -0.34 0.00 0.00 178.44 178.11 3hw2 h THR 319 N 0.55 1.28 -0.00 1.05 1.35 -1.50 -1.72 112.91 113.91 3hw2 h THR 319 Ca 0.33 -1.72 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 3hw2 h THR 319 Cb 0.36 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3hw2 h THR 319 CO -0.27 0.56 -0.13 0.35 -0.25 0.00 0.00 175.52 175.77 3hw2 n THR 320 N -4.04 0.00 0.04 6.82 -2.24 -0.61 -0.69 114.28 113.55 3hw2 n THR 320 Ca -0.05 -0.01 -0.19 0.00 -2.27 0.00 0.00 64.05 61.53 3hw2 n THR 320 Cb 0.62 -0.25 -0.14 0.00 -2.10 0.00 0.00 70.33 68.46 3hw2 n THR 320 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3hw2 h LEU 321 N 0.13 0.43 0.00 3.22 3.38 -0.07 -2.82 115.31 119.58 3hw2 h LEU 321 Ca 0.00 -0.74 -0.00 0.00 0.09 0.00 0.00 57.88 57.23 3hw2 h LEU 321 Cb 0.44 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3hw2 h LEU 321 CO 0.00 1.64 -0.00 -0.74 0.09 0.00 0.00 178.44 179.43 3hw2 h HIS 322 N 0.07 -0.01 -0.78 1.13 2.76 -1.17 0.21 115.15 117.38 3hw2 h HIS 322 Ca -0.34 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 57.97 3hw2 h HIS 322 Cb 2.05 0.00 -0.09 0.00 1.55 0.00 0.00 27.41 30.92 3hw2 h HIS 322 CO 0.07 0.21 0.35 0.28 -1.30 0.00 0.00 177.93 177.54 3hw2 h VAL 323 N -0.22 0.70 0.00 5.26 2.07 -1.09 -0.61 116.25 122.36 3hw2 h VAL 323 Ca -0.00 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 3hw2 h VAL 323 Cb 0.22 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3hw2 h VAL 323 CO 0.00 0.09 -0.15 -0.09 0.02 0.00 0.00 177.57 177.45 3hw2 h ARG 324 N 0.52 0.00 -0.04 1.57 2.43 -1.18 -2.93 114.38 114.74 3hw2 h ARG 324 Ca 0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 3hw2 h ARG 324 Cb 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3hw2 h ARG 324 CO -0.37 0.15 0.00 -1.13 -1.51 0.00 0.00 179.97 177.10 3hw2 n SER 325 N -3.89 0.95 -1.04 -3.80 3.41 0.71 -2.64 113.62 107.31 3hw2 n SER 325 Ca -0.02 -1.41 0.12 0.00 -0.26 0.00 0.00 58.87 57.30 3hw2 n SER 325 Cb 0.24 -0.02 0.21 0.00 -0.26 0.00 0.00 64.21 64.38 3hw2 n SER 325 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3hw2 n GLU 326 N -0.22 2.38 -0.08 4.33 2.13 -1.11 -4.27 120.64 123.80 3hw2 n GLU 326 Ca 0.19 -2.06 -0.08 0.00 0.66 0.00 0.00 57.16 55.87 3hw2 n GLU 326 Cb 0.25 -1.49 -0.03 0.00 0.27 0.00 0.00 31.44 30.44 3hw2 n GLU 326 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3hw2 n GLN 327 N 1.32 0.46 0.00 5.31 6.02 -1.08 -5.15 117.38 124.26 3hw2 n GLN 327 Ca 0.18 0.23 0.12 0.00 -0.01 0.00 0.00 57.00 57.52 3hw2 n GLN 327 Cb 0.57 -1.37 0.13 0.00 1.02 0.00 0.00 30.24 30.59 3hw2 n GLN 327 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09