#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wtr s ASP 3 N 0.00 6.47 1.14 1.61 1.01 -1.26 -5.16 116.67 120.48 2wtr s ASP 3 Ca 0.00 1.42 -0.11 0.00 0.71 0.00 0.00 52.55 54.57 2wtr s ASP 3 Cb 0.00 -2.45 0.16 0.00 1.01 0.00 0.00 42.92 41.64 2wtr s ASP 3 CO 0.00 -0.65 0.53 1.17 0.21 0.00 0.00 175.17 176.43 2wtr n LYS 4 N -1.94 -2.31 -0.07 8.23 4.81 -1.26 -5.03 118.16 120.60 2wtr n LYS 4 Ca 0.05 -0.85 -0.06 0.00 -0.87 0.00 0.00 58.31 56.58 2wtr n LYS 4 Cb 0.54 -0.84 0.06 0.00 0.02 0.00 0.00 35.03 34.81 2wtr n LYS 4 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wtr n GLY 5 N -1.44 -3.60 3.74 3.14 0.00 -1.26 -4.90 105.19 100.87 2wtr n GLY 5 Ca 0.07 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 2wtr n GLY 5 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wtr s THR 6 N -1.25 2.34 0.23 2.61 2.01 -1.26 -4.69 115.64 115.62 2wtr s THR 6 Ca 0.14 0.27 -0.15 0.00 0.31 0.00 0.00 61.69 62.26 2wtr s THR 6 Cb -0.02 -3.18 -0.08 0.00 0.01 0.00 0.00 72.50 69.23 2wtr s THR 6 CO 0.11 0.04 0.65 -0.13 -0.69 0.00 0.00 174.62 174.60 2wtr s ARG 7 N -0.13 4.04 -0.14 4.92 1.81 -1.26 -1.25 118.95 126.93 2wtr s ARG 7 Ca 0.64 0.61 -0.05 0.00 -1.72 0.00 0.00 55.73 55.21 2wtr s ARG 7 Cb -0.45 -2.73 0.07 0.00 -0.45 0.00 0.00 34.95 31.38 2wtr s ARG 7 CO 0.43 0.34 0.27 0.08 -0.68 0.00 0.00 175.30 175.74 2wtr s VAL 8 N -1.68 -0.42 0.38 3.52 1.01 -0.58 -4.73 120.40 117.89 2wtr s VAL 8 Ca 0.45 0.24 -0.08 0.00 0.00 0.00 0.00 61.98 62.59 2wtr s VAL 8 Cb -0.14 -0.48 -0.06 0.00 0.00 0.00 0.00 36.38 35.71 2wtr s VAL 8 CO 0.20 0.09 0.71 -0.36 0.00 0.00 0.00 175.10 175.73 2wtr s PHE 9 N 2.43 3.48 0.10 5.22 0.40 -0.29 -1.55 117.98 127.76 2wtr s PHE 9 Ca 0.02 0.91 -0.20 0.00 -0.60 0.00 0.00 56.93 57.05 2wtr s PHE 9 Cb -0.12 -2.33 0.05 0.00 0.51 0.00 0.00 43.02 41.12 2wtr s PHE 9 CO -0.09 -0.04 0.49 -1.59 0.70 0.00 0.00 175.22 174.69 2wtr s LYS 10 N -3.85 1.09 -0.27 0.44 -2.85 -0.96 -1.27 119.74 112.08 2wtr s LYS 10 Ca 0.49 -0.45 -0.03 0.00 -1.00 0.00 0.00 55.97 54.97 2wtr s LYS 10 Cb -0.10 0.49 0.15 0.00 -2.06 0.00 0.00 37.83 36.31 2wtr s LYS 10 CO 0.32 -0.43 0.50 0.21 0.10 0.00 0.00 175.35 176.06 2wtr s LYS 11 N -3.19 0.46 0.27 1.78 2.20 -1.11 -2.36 119.74 117.80 2wtr s LYS 11 Ca -0.01 0.88 -0.18 0.00 -0.36 0.00 0.00 55.97 56.30 2wtr s LYS 11 Cb 0.00 0.18 -0.09 0.00 -1.51 0.00 0.00 37.83 36.41 2wtr s LYS 11 CO -0.08 -0.55 0.74 0.00 -0.36 0.00 0.00 175.35 175.10 2wtr s ALA 12 N 2.72 3.36 0.99 3.13 0.00 -1.26 -3.30 121.76 127.41 2wtr s ALA 12 Ca 0.13 0.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.11 2wtr s ALA 12 Cb -0.15 -2.82 0.19 0.00 0.00 0.00 0.00 23.12 20.34 2wtr s ALA 12 CO -0.18 0.32 1.10 -1.54 0.00 0.00 0.00 175.76 175.46 2wtr s SER 13 N -1.92 2.36 0.31 0.00 1.04 0.31 -4.82 113.70 110.98 2wtr s SER 13 Ca 0.48 1.92 0.07 0.00 0.48 0.00 0.00 55.95 58.90 2wtr s SER 13 Cb -0.14 -2.46 0.76 0.00 0.10 0.00 0.00 66.02 64.28 2wtr s SER 13 CO 0.19 -3.41 1.79 -0.65 0.98 0.00 0.00 173.24 172.14 2wtr h PRO 14 N -2.08 0.73 0.00 4.02 0.11 -1.71 0.16 132.00 133.23 2wtr h PRO 14 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2wtr h PRO 14 Cb 1.29 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2wtr h PRO 14 CO 0.45 0.48 0.00 0.27 -0.21 0.00 0.00 178.00 179.00 2wtr n ASN 15 N -4.73 0.00 0.00 -2.05 2.04 -1.20 -4.90 115.26 104.42 2wtr n ASN 15 Ca 0.23 0.38 0.00 0.00 -0.44 0.00 0.00 54.58 54.75 2wtr n ASN 15 Cb 0.57 -0.45 0.00 0.00 -2.53 0.00 0.00 39.78 37.36 2wtr n ASN 15 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2wtr n GLY 16 N 0.94 2.93 0.19 4.83 0.00 0.56 -4.87 105.19 109.77 2wtr n GLY 16 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 2wtr n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wtr h LYS 17 N 1.58 -0.37 -6.82 1.61 6.56 -1.91 -3.45 116.57 113.77 2wtr h LYS 17 Ca 0.00 0.03 -0.48 0.00 -1.06 0.00 0.00 60.65 59.14 2wtr h LYS 17 Cb 0.00 0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 31.72 2wtr h LYS 17 CO 0.00 -0.07 0.24 -1.17 -2.06 0.00 0.00 179.45 176.39 2wtr s LEU 18 N -9.58 4.20 -0.04 2.94 2.96 -1.26 -4.06 118.68 113.84 2wtr s LEU 18 Ca -0.14 1.61 -0.27 0.00 -0.22 0.00 0.00 54.13 55.10 2wtr s LEU 18 Cb 0.03 -4.04 0.06 0.00 0.50 0.00 0.00 46.19 42.73 2wtr s LEU 18 CO 0.57 -0.13 0.60 -0.89 -1.32 0.00 0.00 176.35 175.17 2wtr s THR 19 N -1.78 0.01 0.08 3.68 2.01 -1.25 -0.53 115.64 117.86 2wtr s THR 19 Ca 0.52 -0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.44 2wtr s THR 19 Cb -0.15 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 2wtr s THR 19 CO 0.19 -0.06 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.29 2wtr s VAL 20 N -1.21 0.76 0.02 3.82 1.01 -1.21 -2.78 120.40 120.81 2wtr s VAL 20 Ca -0.11 -1.58 0.02 0.00 0.00 0.00 0.00 61.98 60.30 2wtr s VAL 20 Cb -0.01 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 2wtr s VAL 20 CO 0.09 -0.61 -0.07 -0.31 0.00 0.00 0.00 175.10 174.20 2wtr s TYR 21 N -2.52 0.58 -0.07 5.22 1.51 0.63 -2.73 117.35 119.96 2wtr s TYR 21 Ca 0.03 -0.30 -0.07 0.00 -1.01 0.00 0.00 57.07 55.73 2wtr s TYR 21 Cb -0.02 -0.36 0.02 0.00 -0.11 0.00 0.00 41.96 41.49 2wtr s TYR 21 CO -0.01 -0.05 0.20 -0.51 -1.11 0.00 0.00 175.55 174.07 2wtr s LEU 22 N -0.86 1.24 0.22 -1.29 1.43 -0.40 -2.64 118.68 116.40 2wtr s LEU 22 Ca -0.04 0.37 0.25 0.00 -1.03 0.00 0.00 54.13 53.69 2wtr s LEU 22 Cb -0.06 0.70 0.86 0.00 0.03 0.00 0.00 46.19 47.72 2wtr s LEU 22 CO 0.00 -0.09 1.76 0.61 0.23 0.00 0.00 176.35 178.86 2wtr n GLY 23 N 2.88 -1.59 3.60 -3.19 0.00 -1.26 -1.14 105.19 104.48 2wtr n GLY 23 Ca -0.13 0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 2wtr n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wtr s LYS 24 N -3.16 0.61 0.06 1.61 -2.85 -1.26 -4.80 119.74 109.95 2wtr s LYS 24 Ca 0.09 0.41 -0.15 0.00 -1.00 0.00 0.00 55.97 55.31 2wtr s LYS 24 Cb 0.11 0.29 -0.22 0.00 -2.06 0.00 0.00 37.83 35.95 2wtr s LYS 24 CO 0.54 -0.14 1.18 0.00 0.10 0.00 0.00 175.35 177.03 2wtr h ARG 25 N 3.47 0.64 -4.94 1.78 3.08 -1.96 -3.44 114.38 113.01 2wtr h ARG 25 Ca -0.24 -0.67 -0.65 0.00 0.07 0.00 0.00 59.98 58.50 2wtr h ARG 25 Cb 1.17 0.18 -0.20 0.00 0.08 0.00 0.00 29.97 31.20 2wtr h ARG 25 CO 0.21 1.26 -0.59 -0.51 -1.07 0.00 0.00 179.97 179.28 2wtr s ASP 26 N -7.13 5.47 -0.24 7.04 1.01 -1.26 -2.36 116.67 119.19 2wtr s ASP 26 Ca -0.11 -0.13 -0.11 0.00 0.71 0.00 0.00 52.55 52.91 2wtr s ASP 26 Cb 0.06 -2.00 -0.05 0.00 1.01 0.00 0.00 42.92 41.95 2wtr s ASP 26 CO 0.89 -0.04 0.18 -0.36 0.21 0.00 0.00 175.17 176.06 2wtr s PHE 27 N 1.65 3.31 0.05 4.23 0.40 0.52 -4.97 117.98 123.17 2wtr s PHE 27 Ca 0.07 0.25 -0.25 0.00 -0.60 0.00 0.00 56.93 56.40 2wtr s PHE 27 Cb -0.15 -2.30 -0.06 0.00 0.51 0.00 0.00 43.02 41.02 2wtr s PHE 27 CO 0.06 0.04 0.78 0.08 0.70 0.00 0.00 175.22 176.88 2wtr s VAL 28 N 1.14 4.70 -0.38 -0.44 1.01 -1.26 -2.21 120.40 122.96 2wtr s VAL 28 Ca 0.09 1.65 -0.18 0.00 0.00 0.00 0.00 61.98 63.54 2wtr s VAL 28 Cb -0.14 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.12 2wtr s VAL 28 CO 0.05 0.37 0.52 -0.62 0.00 0.00 0.00 175.10 175.42 2wtr s ASP 29 N -0.11 6.29 -0.15 3.32 2.15 0.20 -1.69 116.67 126.67 2wtr s ASP 29 Ca 0.39 -0.25 0.01 0.00 0.43 0.00 0.00 52.55 53.13 2wtr s ASP 29 Cb -0.21 -2.27 0.19 0.00 -0.30 0.00 0.00 42.92 40.33 2wtr s ASP 29 CO 0.23 -0.56 1.41 1.41 -0.17 0.00 0.00 175.17 177.49 2wtr n HIS 30 N 5.82 0.92 0.00 -5.34 8.25 -0.62 -2.07 115.22 122.18 2wtr n HIS 30 Ca -0.05 -1.03 0.00 0.00 -0.26 0.00 0.00 57.72 56.38 2wtr n HIS 30 Cb 0.48 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 31.08 2wtr n HIS 30 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2wtr n ILE 31 N 0.15 0.00 0.00 1.59 5.41 -1.26 -4.41 119.36 120.84 2wtr n ILE 31 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.93 2wtr n ILE 31 Cb 0.80 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.73 2wtr n ILE 31 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2wtr n ASP 32 N 1.88 0.00 -2.00 4.38 4.64 -1.26 -4.86 116.55 119.33 2wtr n ASP 32 Ca 0.00 0.15 0.00 0.00 -1.38 0.00 0.00 54.79 53.56 2wtr n ASP 32 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 2wtr n ASP 32 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2wtr n LEU 33 N -0.20 0.00 -3.91 -2.67 -0.00 -1.26 -4.43 117.00 104.53 2wtr n LEU 33 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.87 2wtr n LEU 33 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 2wtr n LEU 33 CO 0.00 -0.50 -0.38 -0.69 -0.00 0.00 0.00 177.39 175.82 2wtr s VAL 34 N 0.99 0.22 -0.28 1.47 1.01 -1.26 -1.59 120.40 120.96 2wtr s VAL 34 Ca 0.00 -0.11 -0.36 0.00 0.00 0.00 0.00 61.98 61.51 2wtr s VAL 34 Cb 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 36.38 36.06 2wtr s VAL 34 CO 0.00 0.06 2.03 -0.62 0.00 0.00 0.00 175.10 176.58 2wtr n GLU 35 N 3.04 1.31 -1.62 2.72 1.02 -0.68 -4.68 120.64 121.75 2wtr n GLU 35 Ca -0.13 0.42 -0.38 0.00 -0.02 0.00 0.00 57.16 57.05 2wtr n GLU 35 Cb 0.59 -2.42 0.05 0.00 -0.02 0.00 0.00 31.44 29.63 2wtr n GLU 35 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2wtr n PRO 36 N 7.28 1.01 -2.69 3.49 -0.02 -1.26 -4.75 135.00 138.05 2wtr n PRO 36 Ca 0.34 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 2wtr n PRO 36 Cb 0.22 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 2wtr n PRO 36 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wtr s VAL 37 N -1.47 4.03 0.11 -1.45 1.01 -0.47 -4.94 120.40 117.20 2wtr s VAL 37 Ca 0.74 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.57 2wtr s VAL 37 Cb -0.43 -4.78 -0.06 0.00 0.00 0.00 0.00 36.38 31.10 2wtr s VAL 37 CO 0.49 -1.60 1.10 -1.81 0.00 0.00 0.00 175.10 173.28 2wtr s ASP 38 N 3.57 7.24 0.02 3.32 -0.00 -1.26 -3.23 116.67 126.32 2wtr s ASP 38 Ca 0.31 1.97 -0.21 0.00 -0.00 0.00 0.00 52.55 54.62 2wtr s ASP 38 Cb -0.12 -2.59 0.04 0.00 -0.00 0.00 0.00 42.92 40.26 2wtr s ASP 38 CO 0.14 -0.30 0.47 -0.83 -0.00 0.00 0.00 175.17 174.66 2wtr s GLY 39 N 0.46 -0.34 -0.02 0.21 0.00 -1.04 -4.40 107.32 102.19 2wtr s GLY 39 Ca 0.53 0.57 -0.05 0.00 0.00 0.00 0.00 44.72 45.77 2wtr s GLY 39 CO 0.31 0.29 0.11 0.14 0.00 0.00 0.00 173.10 173.96 2wtr s VAL 40 N -1.99 0.05 -0.19 1.40 1.01 -1.08 -1.83 120.40 117.76 2wtr s VAL 40 Ca -0.08 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 2wtr s VAL 40 Cb -0.02 -0.29 0.08 0.00 0.00 0.00 0.00 36.38 36.15 2wtr s VAL 40 CO 0.01 -0.22 0.16 0.54 0.00 0.00 0.00 175.10 175.59 2wtr s VAL 41 N -0.72 -0.21 -0.42 2.92 0.11 -1.24 -0.27 120.40 120.57 2wtr s VAL 41 Ca -0.08 -0.15 -0.18 0.00 -2.93 0.00 0.00 61.98 58.65 2wtr s VAL 41 Cb -0.05 -0.63 0.02 0.00 -1.53 0.00 0.00 36.38 34.19 2wtr s VAL 41 CO 0.01 -0.25 0.45 -0.22 -3.33 0.00 0.00 175.10 171.76 2wtr s LEU 42 N 2.23 4.84 -0.21 2.54 0.20 -1.12 -3.10 118.68 124.07 2wtr s LEU 42 Ca 0.05 -0.65 -0.10 0.00 0.69 0.00 0.00 54.13 54.12 2wtr s LEU 42 Cb -0.16 -2.41 -0.05 0.00 -0.43 0.00 0.00 46.19 43.14 2wtr s LEU 42 CO -0.11 -0.60 0.14 0.68 -0.29 0.00 0.00 176.35 176.17 2wtr s VAL 43 N 2.19 5.36 0.53 1.68 -7.23 -1.23 -3.91 120.40 117.78 2wtr s VAL 43 Ca 0.13 0.18 -0.20 0.00 -1.81 0.00 0.00 61.98 60.27 2wtr s VAL 43 Cb -0.17 -3.47 -0.06 0.00 0.56 0.00 0.00 36.38 33.25 2wtr s VAL 43 CO 0.14 0.40 1.17 1.51 -0.31 0.00 0.00 175.10 178.02 2wtr s ASP 44 N 0.63 5.71 0.52 4.85 1.47 -1.26 -4.72 116.67 123.87 2wtr s ASP 44 Ca 0.08 2.30 0.25 0.00 1.18 0.00 0.00 52.55 56.36 2wtr s ASP 44 Cb -0.12 -2.59 1.36 0.00 -0.34 0.00 0.00 42.92 41.23 2wtr s ASP 44 CO 0.01 -1.23 1.96 -0.65 0.68 0.00 0.00 175.17 175.93 2wtr h PRO 45 N 1.40 0.06 -6.81 2.11 0.11 -1.98 -3.42 132.00 123.48 2wtr h PRO 45 Ca -0.50 -0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.08 2wtr h PRO 45 Cb 1.27 -0.01 0.08 0.00 0.11 0.00 0.00 31.00 32.44 2wtr h PRO 45 CO 0.57 0.04 0.85 -1.21 -0.21 0.00 0.00 178.00 178.05 2wtr s GLU 46 N -5.07 4.15 -0.64 1.05 2.02 -1.26 -3.18 118.70 115.77 2wtr s GLU 46 Ca -0.05 2.52 -0.03 0.00 0.02 0.00 0.00 54.97 57.43 2wtr s GLU 46 Cb 0.20 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.40 2wtr s GLU 46 CO 0.75 -0.58 0.55 0.66 0.02 0.00 0.00 175.26 176.66 2wtr n TYR 47 N 2.02 -1.29 0.00 1.61 4.01 -1.26 -5.00 117.16 117.25 2wtr n TYR 47 Ca 0.07 0.49 0.00 0.00 -0.16 0.00 0.00 57.90 58.30 2wtr n TYR 47 Cb 0.38 -3.23 0.00 0.00 -0.31 0.00 0.00 39.34 36.18 2wtr n TYR 47 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2wtr n LEU 48 N -2.66 0.38 -3.35 7.72 4.77 -1.19 -4.90 117.00 117.76 2wtr n LEU 48 Ca -0.06 0.59 -0.23 0.00 -0.03 0.00 0.00 56.01 56.28 2wtr n LEU 48 Cb 0.55 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2wtr n LEU 48 CO 0.31 -0.40 -0.04 0.29 -1.33 0.00 0.00 177.39 176.23 2wtr n LYS 49 N -1.69 -3.45 0.00 3.23 5.02 -1.26 -1.89 118.16 118.11 2wtr n LYS 49 Ca 0.00 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 2wtr n LYS 49 Cb 0.00 -5.21 0.00 0.00 -0.02 0.00 0.00 35.03 29.80 2wtr n LYS 49 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2wtr n GLU 50 N -3.75 0.00 -1.68 1.97 1.02 -1.26 -4.92 120.64 112.02 2wtr n GLU 50 Ca -0.02 0.00 -0.51 0.00 -0.02 0.00 0.00 57.16 56.61 2wtr n GLU 50 Cb 0.54 -1.81 -0.06 0.00 -0.02 0.00 0.00 31.44 30.10 2wtr n GLU 50 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wtr n ARG 51 N -1.30 1.74 -1.63 3.49 1.74 -0.79 -4.96 116.66 114.95 2wtr n ARG 51 Ca 0.00 0.64 -0.30 0.00 -0.77 0.00 0.00 57.85 57.42 2wtr n ARG 51 Cb 0.00 -2.40 0.08 0.00 -1.02 0.00 0.00 32.46 29.13 2wtr n ARG 51 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wtr s ARG 52 N 2.95 2.21 -0.18 5.56 0.52 -0.27 -4.78 118.95 124.96 2wtr s ARG 52 Ca 0.91 0.58 -0.04 0.00 -0.52 0.00 0.00 55.73 56.66 2wtr s ARG 52 Cb -0.83 -1.94 0.08 0.00 0.52 0.00 0.00 34.95 32.78 2wtr s ARG 52 CO 0.53 -1.52 0.22 0.08 0.02 0.00 0.00 175.30 174.63 2wtr s VAL 53 N -3.21 -0.33 -0.08 3.52 1.01 -1.02 -0.45 120.40 119.84 2wtr s VAL 53 Ca 0.60 -0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.52 2wtr s VAL 53 Cb -0.14 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 2wtr s VAL 53 CO 0.54 -0.13 0.11 -0.31 0.00 0.00 0.00 175.10 175.30 2wtr s TYR 54 N 2.33 3.46 0.05 5.22 1.51 -1.16 -1.84 117.35 126.92 2wtr s TYR 54 Ca 0.06 0.39 -0.12 0.00 -1.01 0.00 0.00 57.07 56.40 2wtr s TYR 54 Cb -0.15 -1.87 -0.06 0.00 -0.11 0.00 0.00 41.96 39.78 2wtr s TYR 54 CO -0.11 0.65 0.40 0.08 -1.11 0.00 0.00 175.55 175.46 2wtr s VAL 55 N -1.05 5.07 -0.16 0.71 1.01 -0.43 -2.77 120.40 122.78 2wtr s VAL 55 Ca 0.17 0.60 -0.04 0.00 0.00 0.00 0.00 61.98 62.72 2wtr s VAL 55 Cb -0.12 -3.67 0.07 0.00 0.00 0.00 0.00 36.38 32.67 2wtr s VAL 55 CO 0.07 0.40 0.19 -0.89 0.00 0.00 0.00 175.10 174.87 2wtr s THR 56 N -1.28 -0.28 0.24 3.92 2.01 -0.92 -2.25 115.64 117.08 2wtr s THR 56 Ca 0.29 0.04 -0.16 0.00 0.31 0.00 0.00 61.69 62.18 2wtr s THR 56 Cb -0.15 -0.54 -0.08 0.00 0.01 0.00 0.00 72.50 71.74 2wtr s THR 56 CO 0.16 -0.09 0.67 -0.22 -0.69 0.00 0.00 174.62 174.44 2wtr s LEU 57 N 2.30 4.23 -0.23 4.42 2.96 -1.20 -1.10 118.68 130.07 2wtr s LEU 57 Ca 0.05 1.24 -0.04 0.00 -0.22 0.00 0.00 54.13 55.15 2wtr s LEU 57 Cb -0.14 -3.68 0.12 0.00 0.50 0.00 0.00 46.19 42.99 2wtr s LEU 57 CO -0.10 -0.04 0.40 -0.89 -1.32 0.00 0.00 176.35 174.40 2wtr s THR 58 N -1.69 -0.63 -0.10 3.68 2.01 -1.01 -2.54 115.64 115.37 2wtr s THR 58 Ca 0.46 0.02 -0.20 0.00 0.31 0.00 0.00 61.69 62.27 2wtr s THR 58 Cb -0.14 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 2wtr s THR 58 CO 0.19 -0.05 0.56 0.00 -0.69 0.00 0.00 174.62 174.63 2wtr s ALA 60 N 0.74 -1.54 0.38 0.00 0.00 -0.74 -0.76 121.76 119.83 2wtr s ALA 60 Ca 0.30 1.93 -0.24 0.00 0.00 0.00 0.00 51.96 53.95 2wtr s ALA 60 Cb -0.16 -1.14 -0.10 0.00 0.00 0.00 0.00 23.12 21.73 2wtr s ALA 60 CO 0.13 -0.32 0.99 0.12 0.00 0.00 0.00 175.76 176.68 2wtr s PHE 61 N 1.01 3.44 0.07 0.00 5.36 -0.49 -1.94 117.98 125.43 2wtr s PHE 61 Ca -0.06 1.69 0.02 0.00 -0.96 0.00 0.00 56.93 57.62 2wtr s PHE 61 Cb -0.05 -2.99 -0.03 0.00 -0.34 0.00 0.00 43.02 39.60 2wtr s PHE 61 CO -0.09 -0.20 -0.07 -0.98 -1.46 0.00 0.00 175.22 172.42 2wtr s ARG 62 N -2.48 0.67 0.08 10.12 1.70 -0.54 -1.51 118.95 127.00 2wtr s ARG 62 Ca 0.56 -1.06 -0.17 0.00 -0.47 0.00 0.00 55.73 54.59 2wtr s ARG 62 Cb -0.18 -0.20 0.04 0.00 -0.57 0.00 0.00 34.95 34.04 2wtr s ARG 62 CO 0.23 0.00 0.41 -0.47 -1.08 0.00 0.00 175.30 174.39 2wtr s TYR 63 N -2.62 -0.24 0.00 5.89 5.04 -0.83 -2.51 117.35 122.08 2wtr s TYR 63 Ca 0.01 0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.72 2wtr s TYR 63 Cb -0.02 0.23 0.00 0.00 0.35 0.00 0.00 41.96 42.53 2wtr s TYR 63 CO -0.03 -0.63 0.00 0.41 -1.34 0.00 0.00 175.55 173.97 2wtr n GLY 64 N 0.19 0.43 0.00 8.97 0.00 -0.93 -1.99 105.19 111.86 2wtr n GLY 64 Ca -0.17 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.46 2wtr n GLY 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wtr n ARG 65 N 3.54 0.00 -0.83 1.61 3.00 -1.26 -3.74 116.66 118.98 2wtr n ARG 65 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2wtr n ARG 65 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2wtr n ARG 65 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 2wtr n VAL 71 N 0.00 0.00 -2.80 5.15 3.14 -1.26 -4.71 118.33 117.85 2wtr n VAL 71 Ca 0.00 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.37 2wtr n VAL 71 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 2wtr n VAL 71 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wtr n GLY 72 N 0.06 -3.54 0.00 7.55 0.00 -1.26 -4.65 105.19 103.35 2wtr n GLY 72 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.63 2wtr n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wtr n LEU 73 N 1.09 0.00 -0.16 0.99 7.99 -1.26 -4.67 117.00 120.97 2wtr n LEU 73 Ca -0.08 0.00 0.13 0.00 -0.01 0.00 0.00 56.01 56.06 2wtr n LEU 73 Cb 0.21 0.00 0.45 0.00 -0.11 0.00 0.00 43.42 43.97 2wtr n LEU 73 CO 0.34 0.00 0.72 0.35 -1.51 0.00 0.00 177.39 177.29 2wtr n THR 74 N -0.10 0.00 -3.53 -5.08 -2.24 -0.84 -4.44 114.28 98.05 2wtr n THR 74 Ca 0.00 -0.09 -0.18 0.00 -2.27 0.00 0.00 64.05 61.52 2wtr n THR 74 Cb 0.00 0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.35 2wtr n THR 74 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2wtr s PHE 75 N -2.57 -0.64 -0.23 4.78 5.36 -1.10 -4.98 117.98 118.61 2wtr s PHE 75 Ca 0.24 1.07 -0.27 0.00 -0.96 0.00 0.00 56.93 57.01 2wtr s PHE 75 Cb 0.19 0.40 0.11 0.00 -0.34 0.00 0.00 43.02 43.38 2wtr s PHE 75 CO 0.53 -0.61 0.94 0.50 -1.46 0.00 0.00 175.22 175.12 2wtr s ARG 76 N -1.27 0.63 -0.10 10.12 3.52 -1.26 -1.97 118.95 128.62 2wtr s ARG 76 Ca -0.11 0.52 -0.04 0.00 -0.13 0.00 0.00 55.73 55.98 2wtr s ARG 76 Cb -0.00 0.30 0.05 0.00 -1.56 0.00 0.00 34.95 33.75 2wtr s ARG 76 CO 0.09 -0.12 0.20 0.21 -0.81 0.00 0.00 175.30 174.87 2wtr s LYS 77 N -0.20 0.09 -0.38 5.12 2.20 -0.57 -5.00 119.74 121.00 2wtr s LYS 77 Ca 0.00 0.63 -0.29 0.00 -0.36 0.00 0.00 55.97 55.95 2wtr s LYS 77 Cb -0.03 -0.17 0.01 0.00 -1.51 0.00 0.00 37.83 36.13 2wtr s LYS 77 CO -0.02 -0.29 1.37 -0.51 -0.36 0.00 0.00 175.35 175.55 2wtr s ASP 78 N 2.26 6.45 0.21 1.43 1.01 -1.26 -1.40 116.67 125.37 2wtr s ASP 78 Ca 0.01 0.94 0.17 0.00 0.71 0.00 0.00 52.55 54.39 2wtr s ASP 78 Cb -0.12 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.29 2wtr s ASP 78 CO -0.07 -1.32 1.22 -0.07 0.21 0.00 0.00 175.17 175.15 2wtr h LEU 79 N 11.75 0.00 -6.15 1.23 3.38 -1.32 -3.46 115.31 120.76 2wtr h LEU 79 Ca -0.27 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.85 2wtr h LEU 79 Cb 1.10 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.64 2wtr h LEU 79 CO 1.07 0.44 -0.07 0.12 0.09 0.00 0.00 178.44 180.09 2wtr s PHE 80 N -3.00 -1.13 0.16 1.13 5.36 -1.02 -5.00 117.98 114.47 2wtr s PHE 80 Ca 0.02 1.34 0.04 0.00 -0.96 0.00 0.00 56.93 57.36 2wtr s PHE 80 Cb 0.08 0.45 -0.04 0.00 -0.34 0.00 0.00 43.02 43.17 2wtr s PHE 80 CO 0.76 -0.61 0.20 0.08 -1.46 0.00 0.00 175.22 174.20 2wtr s VAL 81 N 2.85 4.86 -0.20 3.12 1.01 -1.26 -1.68 120.40 129.10 2wtr s VAL 81 Ca 0.09 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 60.97 2wtr s VAL 81 Cb -0.12 -3.49 0.05 0.00 0.00 0.00 0.00 36.38 32.82 2wtr s VAL 81 CO -0.17 -0.10 0.54 0.00 0.00 0.00 0.00 175.10 175.36 2wtr s ALA 82 N -1.75 -1.33 -0.01 5.51 0.00 -1.05 -5.02 121.76 118.11 2wtr s ALA 82 Ca 0.33 1.50 0.01 0.00 0.00 0.00 0.00 51.96 53.80 2wtr s ALA 82 Cb -0.10 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.16 2wtr s ALA 82 CO 0.26 -0.25 -0.05 -0.80 0.00 0.00 0.00 175.76 174.92 2wtr s ASN 83 N 0.25 0.65 -0.10 0.00 0.02 -1.26 -3.22 114.94 111.28 2wtr s ASN 83 Ca -0.00 -0.09 -0.04 0.00 -1.02 0.00 0.00 52.86 51.70 2wtr s ASN 83 Cb -0.04 -0.15 0.05 0.00 0.02 0.00 0.00 41.25 41.13 2wtr s ASN 83 CO 0.01 0.03 0.21 0.68 0.02 0.00 0.00 177.10 178.05 2wtr s VAL 84 N 0.19 -0.16 -0.30 1.60 -7.23 -0.95 -5.04 120.40 108.51 2wtr s VAL 84 Ca -0.02 0.22 -0.27 0.00 -1.81 0.00 0.00 61.98 60.10 2wtr s VAL 84 Cb -0.06 -0.35 0.01 0.00 0.56 0.00 0.00 36.38 36.54 2wtr s VAL 84 CO -0.00 0.09 0.99 -1.58 -0.31 0.00 0.00 175.10 174.29 2wtr s GLN 85 N 1.68 4.08 -0.03 4.82 0.74 -1.26 -1.32 119.66 128.38 2wtr s GLN 85 Ca -0.05 1.00 -0.06 0.00 0.05 0.00 0.00 55.36 56.31 2wtr s GLN 85 Cb -0.11 -3.71 -0.29 0.00 1.10 0.00 0.00 33.01 30.00 2wtr s GLN 85 CO -0.08 -0.78 0.75 0.77 -0.55 0.00 0.00 175.29 175.41 2wtr h SER 86 N 7.96 0.46 -3.07 6.67 0.02 -1.65 -3.38 113.55 120.55 2wtr h SER 86 Ca -0.21 -0.69 -0.43 0.00 -0.84 0.00 0.00 61.79 59.61 2wtr h SER 86 Cb 1.07 -0.15 -0.40 0.00 0.14 0.00 0.00 62.40 63.06 2wtr h SER 86 CO 0.98 1.58 -0.74 -0.36 -1.14 0.00 0.00 176.83 177.15 2wtr s PHE 87 N -2.60 0.13 1.16 3.45 0.08 -1.19 -3.64 117.98 115.38 2wtr s PHE 87 Ca -0.12 -0.15 -0.19 0.00 0.12 0.00 0.00 56.93 56.59 2wtr s PHE 87 Cb 0.06 -0.62 0.28 0.00 -0.57 0.00 0.00 43.02 42.17 2wtr s PHE 87 CO 0.85 -0.45 1.18 -2.14 -0.10 0.00 0.00 175.22 174.57 2wtr s PRO 88 N 2.16 -0.91 0.00 0.24 0.02 -1.26 -2.42 135.00 132.82 2wtr s PRO 88 Ca 0.03 -0.27 0.00 0.00 0.02 0.00 0.00 61.00 60.78 2wtr s PRO 88 Cb -0.15 -1.65 0.00 0.00 0.02 0.00 0.00 34.50 32.72 2wtr s PRO 88 CO -0.08 -3.47 0.00 -2.30 -0.33 0.00 0.00 177.00 170.82 2wtr n PRO 89 N -4.55 2.70 -3.83 5.54 -0.02 -1.24 -4.75 135.00 128.85 2wtr n PRO 89 Ca 0.15 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.54 2wtr n PRO 89 Cb 0.60 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 34.01 2wtr n PRO 89 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wtr s ALA 90 N -2.06 -0.34 0.02 3.55 0.00 -1.26 -4.73 121.76 116.94 2wtr s ALA 90 Ca 0.00 -0.55 -0.07 0.00 0.00 0.00 0.00 51.96 51.34 2wtr s ALA 90 Cb 0.00 0.61 -0.03 0.00 0.00 0.00 0.00 23.12 23.70 2wtr s ALA 90 CO 0.00 -0.57 1.11 -1.35 0.00 0.00 0.00 175.76 174.95 2wtr h PRO 91 N 2.62 -0.14 -5.19 0.00 0.11 -1.99 -3.38 132.00 124.02 2wtr h PRO 91 Ca -0.33 0.01 -0.61 0.00 0.11 0.00 0.00 66.00 65.18 2wtr h PRO 91 Cb 1.22 0.03 -0.13 0.00 0.11 0.00 0.00 31.00 32.23 2wtr h PRO 91 CO 0.52 -0.09 -0.50 -1.21 -0.21 0.00 0.00 178.00 176.51 2wtr s GLU 92 N -3.56 4.13 0.03 1.05 0.41 -1.26 -5.05 118.70 114.45 2wtr s GLU 92 Ca -0.03 -0.25 -0.18 0.00 -0.41 0.00 0.00 54.97 54.10 2wtr s GLU 92 Cb 0.01 -3.46 -0.10 0.00 -1.78 0.00 0.00 34.13 28.81 2wtr s GLU 92 CO 0.12 0.20 1.27 0.38 -0.49 0.00 0.00 175.26 176.74 2wtr h ASP 93 N 7.04 -0.58 0.00 -0.19 2.03 -2.02 -3.47 116.42 119.22 2wtr h ASP 93 Ca -0.40 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 2wtr h ASP 93 Cb 1.16 0.16 0.00 0.00 -0.83 0.00 0.00 39.33 39.82 2wtr h ASP 93 CO 0.71 -0.39 -0.77 0.29 -1.03 0.00 0.00 179.24 178.06 2wtr n LYS 94 N -3.78 1.95 -2.42 4.15 5.02 -1.26 -4.95 118.16 116.86 2wtr n LYS 94 Ca -0.08 -0.01 -0.39 0.00 -2.02 0.00 0.00 58.31 55.81 2wtr n LYS 94 Cb 0.25 -1.22 -0.04 0.00 -0.02 0.00 0.00 35.03 34.01 2wtr n LYS 94 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2wtr s LYS 95 N -2.46 4.46 0.58 1.97 1.02 -1.26 -5.04 119.74 119.01 2wtr s LYS 95 Ca 0.05 1.81 -0.15 0.00 0.02 0.00 0.00 55.97 57.70 2wtr s LYS 95 Cb 0.11 -3.01 -0.04 0.00 -0.52 0.00 0.00 37.83 34.37 2wtr s LYS 95 CO 0.62 0.04 1.03 -2.14 -0.92 0.00 0.00 175.35 173.98 2wtr s PRO 96 N -1.76 3.48 0.37 -1.68 0.02 -1.26 -5.02 135.00 129.14 2wtr s PRO 96 Ca 0.49 1.07 -0.27 0.00 0.02 0.00 0.00 61.00 62.31 2wtr s PRO 96 Cb -0.31 -2.06 -0.09 0.00 0.02 0.00 0.00 34.50 32.05 2wtr s PRO 96 CO 0.40 -0.67 1.29 -0.48 -0.33 0.00 0.00 177.00 177.21 2wtr s LEU 97 N -4.54 4.32 0.84 -5.54 -0.00 -1.26 -5.02 118.68 107.48 2wtr s LEU 97 Ca 0.61 2.64 -0.12 0.00 -0.00 0.00 0.00 54.13 57.26 2wtr s LEU 97 Cb -0.14 -3.79 0.10 0.00 -0.00 0.00 0.00 46.19 42.36 2wtr s LEU 97 CO 0.38 -0.68 1.14 0.42 -0.00 0.00 0.00 176.35 177.62 2wtr s THR 98 N -1.21 2.27 0.18 5.48 -4.23 -1.26 -4.79 115.64 112.07 2wtr s THR 98 Ca 0.53 0.09 -0.13 0.00 -1.18 0.00 0.00 61.69 60.99 2wtr s THR 98 Cb -0.38 -2.95 0.08 0.00 1.34 0.00 0.00 72.50 70.59 2wtr s THR 98 CO 0.50 -0.12 1.83 0.03 -0.54 0.00 0.00 174.62 176.32 2wtr h ARG 99 N -1.21 0.65 -0.03 3.99 3.08 -1.99 0.34 114.38 119.21 2wtr h ARG 99 Ca -0.48 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.41 2wtr h ARG 99 Cb 1.32 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 2wtr h ARG 99 CO 0.63 0.43 -0.54 -0.07 -1.07 0.00 0.00 179.97 179.36 2wtr h LEU 100 N 0.67 0.08 -0.20 3.04 3.38 -2.01 -3.11 115.31 117.17 2wtr h LEU 100 Ca 0.21 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 2wtr h LEU 100 Cb -0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2wtr h LEU 100 CO -0.08 0.61 -0.24 1.56 0.09 0.00 0.00 178.44 180.38 2wtr h GLN 101 N 0.06 0.52 -0.06 1.13 4.20 -1.79 -2.96 115.11 116.21 2wtr h GLN 101 Ca -0.00 -0.29 0.02 0.00 0.06 0.00 0.00 58.65 58.44 2wtr h GLN 101 Cb 0.97 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.76 2wtr h GLN 101 CO 0.07 0.87 0.05 0.93 -0.67 0.00 0.00 178.83 180.09 2wtr h GLU 102 N 0.19 0.00 0.00 1.46 5.08 -0.88 -1.70 114.58 118.72 2wtr h GLU 102 Ca 0.03 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.16 2wtr h GLU 102 Cb 0.80 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 2wtr h GLU 102 CO 0.06 0.00 -1.23 -0.09 -1.00 0.00 0.00 179.01 176.75 2wtr h ARG 103 N 0.00 0.00 0.14 2.33 2.43 -1.52 -3.36 114.38 114.40 2wtr h ARG 103 Ca 0.03 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2wtr h ARG 103 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2wtr h ARG 103 CO -0.00 0.76 -0.07 -0.07 -1.51 0.00 0.00 179.97 179.09 2wtr h LEU 104 N 0.00 -0.16 -2.61 3.80 3.38 -1.14 -2.93 115.31 115.65 2wtr h LEU 104 Ca -0.11 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 2wtr h LEU 104 Cb 1.82 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.61 2wtr h LEU 104 CO 0.10 0.44 -0.01 0.16 0.09 0.00 0.00 178.44 179.22 2wtr h ILE 105 N -0.94 0.28 0.00 1.22 -2.65 -1.69 0.16 117.51 113.89 2wtr h ILE 105 Ca -0.02 -0.08 -0.18 0.00 1.03 0.00 0.00 64.86 65.62 2wtr h ILE 105 Cb 0.49 1.06 -0.03 0.00 -2.05 0.00 0.00 36.82 36.28 2wtr h ILE 105 CO 0.03 0.01 -1.01 0.11 0.03 0.00 0.00 178.15 177.33 2wtr h LYS 106 N 0.00 0.00 0.00 0.16 1.57 -1.71 -3.27 116.57 113.32 2wtr h LYS 106 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wtr h LYS 106 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2wtr h LYS 106 CO 0.00 0.65 0.00 1.63 -0.57 0.00 0.00 179.45 181.16 2wtr n LYS 107 N -3.19 0.81 -2.18 3.15 5.02 0.56 -4.89 118.16 117.45 2wtr n LYS 107 Ca -0.03 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.22 2wtr n LYS 107 Cb 0.87 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 2wtr n LYS 107 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2wtr n LEU 108 N -1.04 0.00 -4.40 -0.35 -0.00 -1.11 -5.08 117.00 105.02 2wtr n LEU 108 Ca 0.20 -0.97 -0.39 0.00 -0.00 0.00 0.00 56.01 54.85 2wtr n LEU 108 Cb 0.11 1.17 0.03 0.00 -0.00 0.00 0.00 43.42 44.73 2wtr n LEU 108 CO 0.16 -0.28 -0.13 0.61 -0.00 0.00 0.00 177.39 177.75 2wtr n GLY 109 N -0.20 -1.97 0.08 1.47 0.00 -1.26 -4.84 105.19 98.47 2wtr n GLY 109 Ca -0.02 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 45.96 2wtr n GLY 109 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2wtr n GLU 110 N 0.47 0.11 0.00 1.61 0.28 -1.26 -2.68 120.64 119.18 2wtr n GLU 110 Ca 0.11 0.36 0.15 0.00 -0.16 0.00 0.00 57.16 57.62 2wtr n GLU 110 Cb 0.46 -1.72 0.82 0.00 1.43 0.00 0.00 31.44 32.44 2wtr n GLU 110 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2wtr n HIS 111 N -1.92 0.00 -2.88 -1.84 -0.00 -1.26 -4.58 115.22 102.74 2wtr n HIS 111 Ca 0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.31 2wtr n HIS 111 Cb 0.19 -0.14 -0.03 0.00 -0.00 0.00 0.00 29.99 30.01 2wtr n HIS 111 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2wtr s ALA 112 N -2.28 3.27 -0.23 -1.41 0.00 -1.09 -3.51 121.76 116.51 2wtr s ALA 112 Ca 0.37 -2.58 -0.18 0.00 0.00 0.00 0.00 51.96 49.56 2wtr s ALA 112 Cb 0.20 -4.06 -0.03 0.00 0.00 0.00 0.00 23.12 19.23 2wtr s ALA 112 CO 0.40 -3.01 0.53 0.71 0.00 0.00 0.00 175.76 174.39 2wtr s TYR 113 N 3.10 3.32 1.34 0.00 1.51 -1.18 -4.80 117.35 120.64 2wtr s TYR 113 Ca 0.32 0.72 -0.22 0.00 -1.01 0.00 0.00 57.07 56.88 2wtr s TYR 113 Cb -0.06 -2.71 0.34 0.00 -0.11 0.00 0.00 41.96 39.41 2wtr s TYR 113 CO -0.07 -0.21 1.01 -2.14 -1.11 0.00 0.00 175.55 173.04 2wtr s PRO 114 N 2.03 -2.33 0.15 -1.71 0.02 -1.26 -3.72 135.00 128.18 2wtr s PRO 114 Ca 0.23 -0.03 -0.23 0.00 0.02 0.00 0.00 61.00 60.99 2wtr s PRO 114 Cb -0.16 -1.46 0.07 0.00 0.02 0.00 0.00 34.50 32.97 2wtr s PRO 114 CO 0.09 -4.45 0.64 -0.59 -0.33 0.00 0.00 177.00 172.37 2wtr s PHE 115 N -2.62 -0.49 -0.03 6.54 -0.12 -0.76 -4.77 117.98 115.72 2wtr s PHE 115 Ca 0.70 0.27 -0.23 0.00 -0.05 0.00 0.00 56.93 57.62 2wtr s PHE 115 Cb -0.10 0.57 0.05 0.00 -0.63 0.00 0.00 43.02 42.90 2wtr s PHE 115 CO 0.57 -0.85 0.50 0.99 -0.05 0.00 0.00 175.22 176.37 2wtr s THR 116 N -3.70 0.03 -0.02 -4.49 2.01 -1.26 -2.50 115.64 105.72 2wtr s THR 116 Ca 0.02 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 61.79 2wtr s THR 116 Cb -0.01 -0.81 0.02 0.00 0.01 0.00 0.00 72.50 71.71 2wtr s THR 116 CO -0.11 -0.13 0.00 -0.36 -0.69 0.00 0.00 174.62 173.33 2wtr s PHE 117 N -1.27 0.20 -0.50 4.92 0.40 -1.20 -4.96 117.98 115.56 2wtr s PHE 117 Ca -0.12 0.03 -0.15 0.00 -0.60 0.00 0.00 56.93 56.09 2wtr s PHE 117 Cb -0.03 -0.30 0.11 0.00 0.51 0.00 0.00 43.02 43.31 2wtr s PHE 117 CO 0.07 -0.09 0.43 -1.21 0.70 0.00 0.00 175.22 175.12 2wtr s GLU 118 N 0.81 2.91 -0.12 0.44 2.02 -1.26 -1.37 118.70 122.13 2wtr s GLU 118 Ca -0.08 -1.58 -0.29 0.00 0.02 0.00 0.00 54.97 53.04 2wtr s GLU 118 Cb -0.11 -4.17 -0.02 0.00 0.10 0.00 0.00 34.13 29.93 2wtr s GLU 118 CO -0.02 -1.19 1.25 0.42 0.02 0.00 0.00 175.26 175.74 2wtr s ILE 119 N 1.58 4.25 0.63 -1.63 1.01 -1.26 -5.00 121.20 120.79 2wtr s ILE 119 Ca 0.04 1.54 -0.18 0.00 0.00 0.00 0.00 60.65 62.05 2wtr s ILE 119 Cb -0.27 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 2wtr s ILE 119 CO 0.04 -0.08 0.96 -2.65 0.00 0.00 0.00 174.94 173.20 2wtr n PRO 120 N 6.06 0.81 0.12 2.79 -0.02 -1.26 -4.25 135.00 139.25 2wtr n PRO 120 Ca 0.13 0.32 -0.13 0.00 -2.02 0.00 0.00 63.50 61.80 2wtr n PRO 120 Cb 0.45 -2.18 -0.08 0.00 -0.02 0.00 0.00 33.50 31.67 2wtr n PRO 120 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2wtr h PRO 121 N 0.32 -0.25 -3.63 0.52 0.11 -1.89 -3.34 132.00 123.84 2wtr h PRO 121 Ca -0.48 0.02 -0.60 0.00 0.11 0.00 0.00 66.00 65.04 2wtr h PRO 121 Cb 1.36 0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.54 2wtr h PRO 121 CO 0.50 -0.02 3.07 0.09 -0.21 0.00 0.00 178.00 181.43 2wtr n ASN 122 N -5.12 5.43 -3.97 -2.05 4.13 -1.26 -4.85 115.26 107.58 2wtr n ASN 122 Ca -0.09 -2.59 -0.14 0.00 1.68 0.00 0.00 54.58 53.44 2wtr n ASN 122 Cb 0.19 -1.38 -0.14 0.00 -1.54 0.00 0.00 39.78 36.92 2wtr n ASN 122 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2wtr s LEU 123 N 0.83 2.07 0.33 3.41 1.43 -1.26 -5.11 118.68 120.38 2wtr s LEU 123 Ca 0.54 -0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 53.16 2wtr s LEU 123 Cb 0.14 -0.19 -0.11 0.00 0.03 0.00 0.00 46.19 46.06 2wtr s LEU 123 CO -0.03 -0.02 1.56 -2.84 0.23 0.00 0.00 176.35 175.26 2wtr s PRO 124 N -0.46 4.10 0.52 1.29 0.02 -1.26 -5.00 135.00 134.21 2wtr s PRO 124 Ca -0.02 2.60 -0.17 0.00 0.02 0.00 0.00 61.00 63.44 2wtr s PRO 124 Cb -0.04 -2.99 -0.08 0.00 0.02 0.00 0.00 34.50 31.41 2wtr s PRO 124 CO -0.00 -0.61 0.99 0.00 -0.33 0.00 0.00 177.00 177.05 2wtr n SER 126 N -1.59 2.48 -3.62 0.00 7.64 -0.95 -4.80 113.62 112.79 2wtr n SER 126 Ca 0.07 1.17 -0.04 0.00 1.01 0.00 0.00 58.87 61.08 2wtr n SER 126 Cb 0.54 -1.42 -0.06 0.00 -1.01 0.00 0.00 64.21 62.26 2wtr n SER 126 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2wtr s VAL 127 N -0.53 -0.20 0.19 0.44 0.11 -1.18 -4.57 120.40 114.66 2wtr s VAL 127 Ca 0.63 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.74 2wtr s VAL 127 Cb -0.64 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.17 2wtr s VAL 127 CO 0.55 0.00 0.09 -0.89 -3.33 0.00 0.00 175.10 171.53 2wtr s THR 128 N 1.83 4.17 -0.22 5.04 2.01 0.16 -1.46 115.64 127.17 2wtr s THR 128 Ca -0.08 -1.30 -0.04 0.00 0.31 0.00 0.00 61.69 60.58 2wtr s THR 128 Cb -0.06 -3.15 0.12 0.00 0.01 0.00 0.00 72.50 69.42 2wtr s THR 128 CO -0.18 -0.17 0.40 -0.22 -0.69 0.00 0.00 174.62 173.76 2wtr s LEU 129 N -3.21 -0.65 -0.35 4.42 0.20 -0.46 -0.10 118.68 118.54 2wtr s LEU 129 Ca 0.30 0.56 -0.09 0.00 0.69 0.00 0.00 54.13 55.59 2wtr s LEU 129 Cb -0.09 1.23 0.03 0.00 -0.43 0.00 0.00 46.19 46.92 2wtr s LEU 129 CO 0.22 -0.27 0.15 -1.10 -0.29 0.00 0.00 176.35 175.06 2wtr s GLN 130 N 2.58 2.84 0.58 1.98 -1.52 -1.26 -2.48 119.66 122.37 2wtr s GLN 130 Ca 0.07 -1.05 0.39 0.00 -1.95 0.00 0.00 55.36 52.81 2wtr s GLN 130 Cb -0.14 -3.59 2.07 0.00 -0.22 0.00 0.00 33.01 31.13 2wtr s GLN 130 CO -0.15 -0.63 2.18 -1.35 -0.25 0.00 0.00 175.29 175.09 2wtr h PRO 131 N 8.34 0.00 0.00 2.91 0.11 -1.85 1.02 132.00 142.53 2wtr h PRO 131 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2wtr h PRO 131 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2wtr h PRO 131 CO 0.63 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.83 2wtr n GLY 132 N -1.05 1.60 3.37 -0.55 0.00 -1.26 -4.21 105.19 103.10 2wtr n GLY 132 Ca -0.02 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 2wtr n GLY 132 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wtr n PRO 133 N 0.00 -2.94 -2.66 1.61 -0.02 -1.26 -4.93 135.00 124.81 2wtr n PRO 133 Ca 0.00 -0.84 -0.43 0.00 -2.02 0.00 0.00 63.50 60.21 2wtr n PRO 133 Cb 0.00 -2.03 -0.02 0.00 -0.02 0.00 0.00 33.50 31.43 2wtr n PRO 133 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2wtr s GLU 134 N -4.34 4.09 0.41 -0.52 0.41 -1.26 -4.69 118.70 112.79 2wtr s GLU 134 Ca 0.66 1.09 0.00 0.00 -0.41 0.00 0.00 54.97 56.31 2wtr s GLU 134 Cb -0.21 -3.72 0.00 0.00 -1.78 0.00 0.00 34.13 28.42 2wtr s GLU 134 CO 0.64 -0.85 0.00 -0.40 -0.49 0.00 0.00 175.26 174.16 2wtr n ASP 135 N 6.75 -3.33 0.00 -0.19 5.75 -1.26 -5.15 116.55 119.12 2wtr n ASP 135 Ca 0.12 0.78 0.00 0.00 -0.01 0.00 0.00 54.79 55.67 2wtr n ASP 135 Cb 0.47 3.16 0.00 0.00 -1.03 0.00 0.00 41.12 43.72 2wtr n ASP 135 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2wtr n THR 136 N -3.37 0.00 -0.70 2.12 -2.24 -1.26 -4.55 114.28 104.27 2wtr n THR 136 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 2wtr n THR 136 Cb 0.00 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.39 2wtr n THR 136 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wtr n GLY 137 N 0.00 -2.18 3.33 3.38 0.00 -1.26 -5.03 105.19 103.43 2wtr n GLY 137 Ca 0.00 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 2wtr n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wtr s LYS 138 N -3.65 1.48 0.36 1.61 1.02 -1.26 -4.73 119.74 114.57 2wtr s LYS 138 Ca 0.58 -1.81 -0.25 0.00 0.02 0.00 0.00 55.97 54.50 2wtr s LYS 138 Cb -0.17 -0.27 -0.13 0.00 -0.52 0.00 0.00 37.83 36.74 2wtr s LYS 138 CO 0.66 -0.33 0.78 0.00 -0.92 0.00 0.00 175.35 175.54 2wtr n ALA 139 N -0.51 -0.90 -3.58 5.17 0.00 -1.25 -4.62 120.51 114.82 2wtr n ALA 139 Ca -0.00 0.27 -0.07 0.00 0.00 0.00 0.00 53.44 53.64 2wtr n ALA 139 Cb 0.66 -1.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 2wtr n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wtr n GLY 141 N -0.33 -0.63 3.02 0.00 0.00 -1.04 -1.35 105.19 104.86 2wtr n GLY 141 Ca -0.09 -0.89 -0.21 0.00 0.00 0.00 0.00 46.02 44.84 2wtr n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wtr s VAL 142 N -3.00 0.87 -0.03 1.61 1.01 -0.53 -1.47 120.40 118.86 2wtr s VAL 142 Ca 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.58 2wtr s VAL 142 Cb 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.63 2wtr s VAL 142 CO 0.00 0.27 -0.03 -1.81 0.00 0.00 0.00 175.10 173.52 2wtr s ASP 143 N 0.14 0.67 -0.20 3.32 1.01 -0.82 -3.09 116.67 117.70 2wtr s ASP 143 Ca -0.03 -0.09 -0.12 0.00 0.71 0.00 0.00 52.55 53.02 2wtr s ASP 143 Cb -0.09 -0.27 -0.05 0.00 1.01 0.00 0.00 42.92 43.53 2wtr s ASP 143 CO 0.01 -0.03 0.23 -0.31 0.21 0.00 0.00 175.17 175.27 2wtr s TYR 144 N 0.64 3.38 -0.16 4.23 1.51 -1.26 -1.80 117.35 123.89 2wtr s TYR 144 Ca -0.07 0.42 -0.03 0.00 -1.01 0.00 0.00 57.07 56.37 2wtr s TYR 144 Cb -0.11 -2.31 0.05 0.00 -0.11 0.00 0.00 41.96 39.49 2wtr s TYR 144 CO -0.00 0.15 0.05 -2.00 -1.11 0.00 0.00 175.55 172.63 2wtr s GLU 145 N 0.80 0.43 0.08 -0.62 2.12 -0.77 -1.53 118.70 119.21 2wtr s GLU 145 Ca 0.12 -0.21 -0.28 0.00 0.36 0.00 0.00 54.97 54.95 2wtr s GLU 145 Cb -0.13 -1.81 -0.05 0.00 0.26 0.00 0.00 34.13 32.39 2wtr s GLU 145 CO 0.03 -0.59 0.90 0.08 -0.54 0.00 0.00 175.26 175.14 2wtr s VAL 146 N 1.98 4.61 -0.22 3.70 1.01 0.11 -2.39 120.40 129.19 2wtr s VAL 146 Ca 0.01 1.93 -0.03 0.00 0.00 0.00 0.00 61.98 63.88 2wtr s VAL 146 Cb -0.16 -4.26 0.11 0.00 0.00 0.00 0.00 36.38 32.08 2wtr s VAL 146 CO -0.08 0.32 0.28 -0.75 0.00 0.00 0.00 175.10 174.87 2wtr s LYS 147 N 0.08 0.25 0.21 2.72 2.20 -0.26 -0.52 119.74 124.43 2wtr s LYS 147 Ca 0.45 0.32 -0.10 0.00 -0.36 0.00 0.00 55.97 56.27 2wtr s LYS 147 Cb -0.22 -0.92 -0.07 0.00 -1.51 0.00 0.00 37.83 35.11 2wtr s LYS 147 CO 0.27 -0.66 0.54 0.00 -0.36 0.00 0.00 175.35 175.15 2wtr s ALA 148 N 2.41 3.57 -0.21 3.13 0.00 -1.12 -2.17 121.76 127.37 2wtr s ALA 148 Ca 0.09 -0.26 -0.27 0.00 0.00 0.00 0.00 51.96 51.52 2wtr s ALA 148 Cb -0.16 -2.44 0.09 0.00 0.00 0.00 0.00 23.12 20.62 2wtr s ALA 148 CO -0.14 0.51 0.84 -0.59 0.00 0.00 0.00 175.76 176.38 2wtr s PHE 149 N -1.76 -0.62 0.08 0.00 -0.12 -1.11 -1.73 117.98 112.71 2wtr s PHE 149 Ca 0.46 1.37 -0.26 0.00 -0.05 0.00 0.00 56.93 58.45 2wtr s PHE 149 Cb -0.12 0.35 -0.06 0.00 -0.63 0.00 0.00 43.02 42.56 2wtr s PHE 149 CO 0.21 -0.38 0.80 0.00 -0.05 0.00 0.00 175.22 175.81 2wtr s ALA 151 N -0.25 -1.95 -0.07 0.00 0.00 0.41 -4.81 121.76 115.08 2wtr s ALA 151 Ca 0.39 0.98 -0.17 0.00 0.00 0.00 0.00 51.96 53.17 2wtr s ALA 151 Cb -0.22 0.28 -0.29 0.00 0.00 0.00 0.00 23.12 22.89 2wtr s ALA 151 CO 0.25 -0.79 0.69 1.49 0.00 0.00 0.00 175.76 177.40 2wtr h GLU 152 N 2.00 0.31 -2.93 0.00 4.57 -1.92 -0.72 114.58 115.89 2wtr h GLU 152 Ca -0.20 -0.52 -0.07 0.00 -1.18 0.00 0.00 59.36 57.39 2wtr h GLU 152 Cb 1.21 0.19 -0.16 0.00 -0.16 0.00 0.00 28.75 29.83 2wtr h GLU 152 CO 0.27 1.25 -0.04 1.21 -1.18 0.00 0.00 179.01 180.52 2wtr s ASN 153 N -7.10 -0.35 0.56 1.04 2.47 -1.26 -4.69 114.94 105.60 2wtr s ASN 153 Ca -0.17 0.06 0.29 0.00 0.42 0.00 0.00 52.86 53.46 2wtr s ASN 153 Cb 0.04 0.46 1.69 0.00 -1.45 0.00 0.00 41.25 41.98 2wtr s ASN 153 CO 0.81 -0.70 2.18 -0.07 -3.72 0.00 0.00 177.10 175.60 2wtr h LEU 154 N 2.86 0.00 -0.84 3.21 3.38 -1.96 0.00 115.31 121.95 2wtr h LEU 154 Ca -0.31 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.54 2wtr h LEU 154 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 2wtr h LEU 154 CO 0.43 0.05 -0.56 -0.33 0.09 0.00 0.00 178.44 178.11 2wtr h GLU 155 N 0.00 0.05 -7.03 1.13 5.08 -2.03 -3.44 114.58 108.34 2wtr h GLU 155 Ca -0.00 -0.03 -0.51 0.00 -1.00 0.00 0.00 59.36 57.82 2wtr h GLU 155 Cb 0.14 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.46 2wtr h GLU 155 CO 0.01 0.60 0.48 -2.00 -1.00 0.00 0.00 179.01 177.09 2wtr s GLU 156 N -3.76 3.61 0.63 2.33 2.56 -0.01 -5.03 118.70 119.03 2wtr s GLU 156 Ca -0.02 1.76 -0.11 0.00 0.00 0.00 0.00 54.97 56.61 2wtr s GLU 156 Cb 0.13 -2.30 0.16 0.00 2.00 0.00 0.00 34.13 34.12 2wtr s GLU 156 CO 0.76 -0.67 0.45 1.63 -0.56 0.00 0.00 175.26 176.88 2wtr n LYS 157 N -0.73 -2.71 -3.73 4.30 5.02 -1.26 -4.87 118.16 114.18 2wtr n LYS 157 Ca 0.09 -0.74 -0.17 0.00 -2.02 0.00 0.00 58.31 55.47 2wtr n LYS 157 Cb 0.49 -0.83 -0.16 0.00 -0.02 0.00 0.00 35.03 34.50 2wtr n LYS 157 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wtr s ILE 158 N -1.71 -0.09 0.37 -0.18 1.01 -1.26 -4.93 121.20 114.41 2wtr s ILE 158 Ca 0.32 0.29 -0.17 0.00 0.00 0.00 0.00 60.65 61.10 2wtr s ILE 158 Cb -0.04 -0.13 -0.09 0.00 0.01 0.00 0.00 42.46 42.20 2wtr s ILE 158 CO 0.26 0.12 0.81 -2.28 0.00 0.00 0.00 174.94 173.85 2wtr s HIS 159 N 1.50 3.36 0.09 3.97 5.65 -1.26 -5.01 115.29 123.59 2wtr s HIS 159 Ca -0.04 1.34 -0.11 0.00 0.25 0.00 0.00 55.06 56.50 2wtr s HIS 159 Cb -0.12 -2.64 -0.20 0.00 -1.18 0.00 0.00 32.58 28.44 2wtr s HIS 159 CO -0.03 -0.00 1.22 0.87 -0.65 0.00 0.00 174.74 176.14 2wtr h LYS 160 N 2.03 0.62 -0.40 2.88 1.57 -2.01 -3.25 116.57 118.02 2wtr h LYS 160 Ca -0.48 -0.68 -0.05 0.00 -1.87 0.00 0.00 60.65 57.57 2wtr h LYS 160 Cb 1.18 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.66 2wtr h LYS 160 CO 0.64 1.27 0.02 0.00 -0.57 0.00 0.00 179.45 180.81 2wtr h ARG 161 N 0.35 0.63 -0.98 3.15 3.08 -1.99 -2.62 114.38 115.99 2wtr h ARG 161 Ca -0.12 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.74 2wtr h ARG 161 Cb 1.67 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.60 2wtr h ARG 161 CO 0.20 0.63 0.07 0.09 -1.07 0.00 0.00 179.97 179.88 2wtr n ASN 162 N -4.27 2.70 -3.64 7.04 3.02 -1.23 -3.26 115.26 115.62 2wtr n ASN 162 Ca 0.02 -2.21 -0.10 0.00 -0.03 0.00 0.00 54.58 52.26 2wtr n ASN 162 Cb 0.25 -0.54 -0.04 0.00 -0.61 0.00 0.00 39.78 38.83 2wtr n ASN 162 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2wtr s SER 163 N 0.43 -0.25 -0.06 6.41 1.04 -0.99 -1.50 113.70 118.79 2wtr s SER 163 Ca 0.08 -0.33 -0.02 0.00 0.48 0.00 0.00 55.95 56.16 2wtr s SER 163 Cb 0.07 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.71 2wtr s SER 163 CO 0.02 -0.88 0.11 0.54 0.98 0.00 0.00 173.24 174.01 2wtr s VAL 164 N -3.81 -0.09 -0.11 5.02 0.11 -0.71 -4.12 120.40 116.68 2wtr s VAL 164 Ca 0.04 0.24 -0.03 0.00 -2.93 0.00 0.00 61.98 59.30 2wtr s VAL 164 Cb 0.01 -0.20 -0.03 0.00 -1.53 0.00 0.00 36.38 34.63 2wtr s VAL 164 CO -0.11 0.10 0.02 -0.13 -3.33 0.00 0.00 175.10 171.65 2wtr s ARG 165 N 1.43 3.22 -0.07 1.54 0.52 -1.26 -2.77 118.95 121.55 2wtr s ARG 165 Ca -0.06 -0.38 -0.02 0.00 -0.52 0.00 0.00 55.73 54.75 2wtr s ARG 165 Cb -0.12 -2.90 0.04 0.00 0.52 0.00 0.00 34.95 32.49 2wtr s ARG 165 CO -0.05 0.61 0.05 -0.51 0.02 0.00 0.00 175.30 175.43 2wtr s LEU 166 N -0.62 0.29 -0.57 2.53 1.02 0.32 -5.00 118.68 116.65 2wtr s LEU 166 Ca 0.10 -0.09 -0.22 0.00 0.02 0.00 0.00 54.13 53.95 2wtr s LEU 166 Cb -0.12 -0.23 0.06 0.00 0.02 0.00 0.00 46.19 45.92 2wtr s LEU 166 CO 0.02 -0.26 0.86 -0.69 0.02 0.00 0.00 176.35 176.30 2wtr s VAL 167 N 2.12 4.52 0.34 -1.59 1.01 -1.26 -0.71 120.40 124.81 2wtr s VAL 167 Ca 0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 2wtr s VAL 167 Cb -0.13 -4.51 0.07 0.00 0.00 0.00 0.00 36.38 31.81 2wtr s VAL 167 CO -0.05 -1.12 0.46 2.30 0.00 0.00 0.00 175.10 176.69 2wtr n ILE 168 N 5.95 0.00 -3.76 2.22 -5.35 -0.58 -4.99 119.36 112.86 2wtr n ILE 168 Ca -0.02 -0.47 -0.13 0.00 -0.27 0.00 0.00 62.75 61.85 2wtr n ILE 168 Cb 0.46 -1.55 -0.14 0.00 -1.74 0.00 0.00 39.64 36.67 2wtr n ILE 168 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2wtr s ARG 169 N -3.83 0.11 -0.07 6.28 0.52 -1.00 -4.18 118.95 116.78 2wtr s ARG 169 Ca 0.28 0.36 -0.11 0.00 -0.52 0.00 0.00 55.73 55.73 2wtr s ARG 169 Cb -0.01 -0.14 -0.05 0.00 0.52 0.00 0.00 34.95 35.27 2wtr s ARG 169 CO 0.19 -0.15 0.28 0.21 0.02 0.00 0.00 175.30 175.85 2wtr s LYS 170 N 1.03 3.78 -0.01 3.54 2.20 -1.26 -0.35 119.74 128.67 2wtr s LYS 170 Ca -0.08 0.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.68 2wtr s LYS 170 Cb -0.10 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 2wtr s LYS 170 CO -0.05 0.65 -0.04 0.14 -0.36 0.00 0.00 175.35 175.69 2wtr s VAL 171 N -0.80 0.33 0.43 4.02 -7.23 -0.94 -2.24 120.40 113.98 2wtr s VAL 171 Ca 0.19 -0.14 -0.20 0.00 -1.81 0.00 0.00 61.98 60.02 2wtr s VAL 171 Cb -0.14 -0.31 -0.10 0.00 0.56 0.00 0.00 36.38 36.38 2wtr s VAL 171 CO 0.08 0.12 0.94 -1.58 -0.31 0.00 0.00 175.10 174.34 2wtr s GLN 172 N 0.17 4.17 -0.25 4.82 2.00 -1.26 0.59 119.66 129.90 2wtr s GLN 172 Ca -0.02 1.06 -0.04 0.00 -2.00 0.00 0.00 55.36 54.37 2wtr s GLN 172 Cb -0.05 -2.19 0.14 0.00 0.80 0.00 0.00 33.01 31.71 2wtr s GLN 172 CO -0.00 -0.05 0.48 -0.47 -0.50 0.00 0.00 175.29 174.75 2wtr s TYR 173 N -2.22 -1.09 -0.02 1.67 5.04 -0.88 -2.45 117.35 117.40 2wtr s TYR 173 Ca 0.61 1.41 -0.01 0.00 -2.44 0.00 0.00 57.07 56.64 2wtr s TYR 173 Cb -0.09 0.33 -0.04 0.00 0.35 0.00 0.00 41.96 42.51 2wtr s TYR 173 CO 0.16 -0.70 0.08 0.00 -1.34 0.00 0.00 175.55 173.75 2wtr s ALA 174 N 2.69 3.59 0.46 3.97 0.00 -1.26 -4.23 121.76 126.97 2wtr s ALA 174 Ca 0.09 -0.84 -0.23 0.00 0.00 0.00 0.00 51.96 50.98 2wtr s ALA 174 Cb -0.14 -1.61 -0.07 0.00 0.00 0.00 0.00 23.12 21.29 2wtr s ALA 174 CO -0.17 0.67 1.22 -2.14 0.00 0.00 0.00 175.76 175.35 2wtr s PRO 175 N -1.58 3.72 -0.51 0.00 0.02 -1.26 -4.95 135.00 130.44 2wtr s PRO 175 Ca 0.21 1.92 -0.28 0.00 0.02 0.00 0.00 61.00 62.87 2wtr s PRO 175 Cb -0.12 -2.47 0.01 0.00 0.02 0.00 0.00 34.50 31.94 2wtr s PRO 175 CO 0.12 -0.63 1.49 -1.21 -0.33 0.00 0.00 177.00 176.44 2wtr s GLU 176 N -2.61 3.31 0.45 5.54 2.02 -1.26 -5.02 118.70 121.13 2wtr s GLU 176 Ca 0.63 0.66 0.08 0.00 0.02 0.00 0.00 54.97 56.36 2wtr s GLU 176 Cb -0.32 -4.13 0.01 0.00 0.10 0.00 0.00 34.13 29.79 2wtr s GLU 176 CO 0.40 -1.92 0.51 1.03 0.02 0.00 0.00 175.26 175.30 2wtr s ARG 177 N 5.53 2.58 0.00 1.61 0.52 -1.26 -5.14 118.95 122.79 2wtr s ARG 177 Ca 0.58 -1.49 0.00 0.00 -0.52 0.00 0.00 55.73 54.30 2wtr s ARG 177 Cb -0.13 -2.53 0.00 0.00 0.52 0.00 0.00 34.95 32.82 2wtr s ARG 177 CO 0.27 -0.36 0.00 -2.30 0.02 0.00 0.00 175.30 172.93 2wtr n PRO 180 N -1.78 0.00 -2.23 3.54 -0.02 -1.26 -4.70 135.00 128.55 2wtr n PRO 180 Ca 0.07 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2wtr n PRO 180 Cb 0.61 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 34.09 2wtr n PRO 180 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wtr n GLN 181 N -0.17 -4.74 -1.94 -0.52 1.13 -1.26 -4.94 117.38 104.95 2wtr n GLN 181 Ca 0.00 3.48 -0.38 0.00 -1.94 0.00 0.00 57.00 58.16 2wtr n GLN 181 Cb 0.00 -4.36 0.03 0.00 0.11 0.00 0.00 30.24 26.02 2wtr n GLN 181 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 2wtr s PRO 182 N -0.75 3.26 0.56 -1.09 0.02 -1.26 -4.99 135.00 130.75 2wtr s PRO 182 Ca -0.00 2.06 -0.19 0.00 0.02 0.00 0.00 61.00 62.88 2wtr s PRO 182 Cb 0.00 -2.24 -0.05 0.00 0.02 0.00 0.00 34.50 32.23 2wtr s PRO 182 CO 0.01 -1.04 1.13 -0.08 -0.33 0.00 0.00 177.00 176.69 2wtr s THR 183 N -1.41 3.12 -0.18 0.99 -1.32 -1.26 -4.83 115.64 110.76 2wtr s THR 183 Ca 0.71 0.68 -0.09 0.00 -1.21 0.00 0.00 61.69 61.78 2wtr s THR 183 Cb -0.36 -3.26 -0.05 0.00 -1.51 0.00 0.00 72.50 67.32 2wtr s THR 183 CO 0.42 -0.17 0.12 0.00 -2.21 0.00 0.00 174.62 172.78 2wtr s ALA 184 N -1.81 3.69 0.46 11.08 0.00 -1.26 -4.71 121.76 129.20 2wtr s ALA 184 Ca 0.73 -0.69 -0.16 0.00 0.00 0.00 0.00 51.96 51.84 2wtr s ALA 184 Cb -0.24 -2.09 -0.08 0.00 0.00 0.00 0.00 23.12 20.71 2wtr s ALA 184 CO 0.29 0.27 0.90 -1.21 0.00 0.00 0.00 175.76 176.01 2wtr s GLU 185 N 0.03 3.96 -0.30 0.00 0.41 -0.94 -4.92 118.70 116.94 2wtr s GLU 185 Ca 0.09 0.83 -0.08 0.00 -0.41 0.00 0.00 54.97 55.41 2wtr s GLU 185 Cb -0.11 -2.23 0.15 0.00 -1.78 0.00 0.00 34.13 30.15 2wtr s GLU 185 CO -0.00 -0.13 0.66 -0.08 -0.49 0.00 0.00 175.26 175.22 2wtr s THR 186 N -2.43 -0.95 0.29 3.63 -1.32 -1.26 -2.12 115.64 111.47 2wtr s THR 186 Ca 0.57 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 61.12 2wtr s THR 186 Cb -0.10 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.87 2wtr s THR 186 CO 0.27 0.00 0.33 0.28 -2.21 0.00 0.00 174.62 173.29 2wtr s THR 187 N 2.86 4.29 -0.31 5.08 -1.32 -0.85 -4.98 115.64 120.41 2wtr s THR 187 Ca 0.02 -1.19 -0.02 0.00 -1.21 0.00 0.00 61.69 59.29 2wtr s THR 187 Cb -0.12 -3.45 0.12 0.00 -1.51 0.00 0.00 72.50 67.54 2wtr s THR 187 CO -0.19 -0.25 0.21 -0.13 -2.21 0.00 0.00 174.62 172.05 2wtr s ARG 188 N -4.00 0.32 -0.11 7.08 0.52 -1.26 -1.87 118.95 119.63 2wtr s ARG 188 Ca 0.38 -0.60 -0.03 0.00 -0.52 0.00 0.00 55.73 54.97 2wtr s ARG 188 Cb -0.08 -1.01 -0.03 0.00 0.52 0.00 0.00 34.95 34.34 2wtr s ARG 188 CO 0.28 -1.07 0.01 -0.65 0.02 0.00 0.00 175.30 173.89 2wtr s GLN 189 N 1.93 3.19 -0.26 3.54 -0.21 -1.19 -4.93 119.66 121.74 2wtr s GLN 189 Ca 0.11 -0.39 -0.17 0.00 0.02 0.00 0.00 55.36 54.93 2wtr s GLN 189 Cb -0.17 -2.88 -0.03 0.00 1.00 0.00 0.00 33.01 30.93 2wtr s GLN 189 CO -0.26 0.62 0.48 -0.06 -2.12 0.00 0.00 175.29 173.94 2wtr s PHE 190 N -0.63 3.27 -0.94 0.91 0.40 -1.26 -1.58 117.98 118.15 2wtr s PHE 190 Ca 0.10 0.59 -0.06 0.00 -0.60 0.00 0.00 56.93 56.97 2wtr s PHE 190 Cb -0.12 -2.67 0.24 0.00 0.51 0.00 0.00 43.02 40.97 2wtr s PHE 190 CO 0.02 -0.24 0.87 -0.51 0.70 0.00 0.00 175.22 176.06 2wtr s LEU 191 N 2.16 5.93 -1.48 -0.37 1.43 -1.26 -4.67 118.68 120.42 2wtr s LEU 191 Ca 0.20 -3.50 -0.14 0.00 -1.03 0.00 0.00 54.13 49.65 2wtr s LEU 191 Cb -0.16 -2.04 0.12 0.00 0.03 0.00 0.00 46.19 44.14 2wtr s LEU 191 CO 0.09 -0.27 0.67 0.23 0.23 0.00 0.00 176.35 177.30 2wtr n MET 192 N 2.72 -3.45 -4.15 1.70 2.81 -1.26 -4.83 117.12 110.66 2wtr n MET 192 Ca 0.20 0.42 -0.11 0.00 -1.81 0.00 0.00 57.70 56.40 2wtr n MET 192 Cb 0.39 -5.16 -0.10 0.00 -0.71 0.00 0.00 33.22 27.64 2wtr n MET 192 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2wtr s SER 193 N -3.02 1.12 0.05 7.83 1.04 -1.26 -5.01 113.70 114.45 2wtr s SER 193 Ca 0.58 -0.92 -0.17 0.00 0.48 0.00 0.00 55.95 55.92 2wtr s SER 193 Cb -0.31 0.08 -0.18 0.00 0.10 0.00 0.00 66.02 65.71 2wtr s SER 193 CO 0.72 -0.41 1.24 0.44 0.98 0.00 0.00 173.24 176.20 2wtr h ASP 194 N 3.25 0.65 -2.72 7.02 5.19 -1.91 -3.45 116.42 124.45 2wtr h ASP 194 Ca -0.35 -0.64 -0.57 0.00 -0.62 0.00 0.00 57.03 54.84 2wtr h ASP 194 Cb 1.17 -0.19 -0.05 0.00 0.18 0.00 0.00 39.33 40.44 2wtr h ASP 194 CO 0.60 1.18 -0.51 -0.54 -3.12 0.00 0.00 179.24 176.85 2wtr s LYS 195 N -3.69 3.22 0.21 3.56 3.01 -1.26 -5.10 119.74 119.69 2wtr s LYS 195 Ca -0.12 -0.66 -0.15 0.00 -1.01 0.00 0.00 55.97 54.02 2wtr s LYS 195 Cb 0.06 -2.86 -0.08 0.00 -1.01 0.00 0.00 37.83 33.94 2wtr s LYS 195 CO 0.83 0.53 0.63 -2.14 0.51 0.00 0.00 175.35 175.71 2wtr s PRO 196 N -3.00 4.03 -0.43 -1.68 0.02 -1.26 -4.46 135.00 128.22 2wtr s PRO 196 Ca 0.33 0.59 -0.27 0.00 0.02 0.00 0.00 61.00 61.66 2wtr s PRO 196 Cb -0.11 -2.78 0.02 0.00 0.02 0.00 0.00 34.50 31.66 2wtr s PRO 196 CO 0.26 0.37 1.02 -1.17 -0.33 0.00 0.00 177.00 177.15 2wtr s LEU 197 N -2.30 3.86 -0.47 -5.54 0.20 -0.62 -3.25 118.68 110.56 2wtr s LEU 197 Ca 0.44 0.46 -0.21 0.00 0.69 0.00 0.00 54.13 55.52 2wtr s LEU 197 Cb -0.14 -3.38 0.03 0.00 -0.43 0.00 0.00 46.19 42.27 2wtr s LEU 197 CO 0.20 -1.06 0.67 -2.28 -0.29 0.00 0.00 176.35 173.59 2wtr s HIS 198 N 3.94 3.03 0.01 5.38 5.65 -0.67 -3.16 115.29 129.47 2wtr s HIS 198 Ca 0.42 -0.17 -0.12 0.00 0.25 0.00 0.00 55.06 55.44 2wtr s HIS 198 Cb -0.10 -3.48 -0.05 0.00 -1.18 0.00 0.00 32.58 27.77 2wtr s HIS 198 CO 0.25 -0.97 0.37 -1.17 -0.65 0.00 0.00 174.74 172.57 2wtr s LEU 199 N 2.90 4.43 -0.23 8.88 2.96 -0.78 -0.74 118.68 136.10 2wtr s LEU 199 Ca 0.22 0.84 -0.20 0.00 -0.22 0.00 0.00 54.13 54.77 2wtr s LEU 199 Cb -0.15 -2.64 0.06 0.00 0.50 0.00 0.00 46.19 43.96 2wtr s LEU 199 CO 0.17 0.29 0.60 -0.70 -1.32 0.00 0.00 176.35 175.39 2wtr s GLU 200 N -1.33 0.68 0.17 1.98 2.12 -1.02 -2.00 118.70 119.29 2wtr s GLU 200 Ca 0.25 0.88 -0.12 0.00 0.36 0.00 0.00 54.97 56.34 2wtr s GLU 200 Cb -0.15 0.29 0.01 0.00 0.26 0.00 0.00 34.13 34.54 2wtr s GLU 200 CO 0.14 -0.10 0.36 0.00 -0.54 0.00 0.00 175.26 175.12 2wtr s ALA 201 N 0.54 -0.35 -0.14 6.30 0.00 -0.90 -0.46 121.76 126.75 2wtr s ALA 201 Ca -0.02 -0.62 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 2wtr s ALA 201 Cb -0.05 0.82 0.10 0.00 0.00 0.00 0.00 23.12 24.00 2wtr s ALA 201 CO -0.02 -0.69 0.87 -1.54 0.00 0.00 0.00 175.76 174.38 2wtr s SER 202 N -2.92 -0.50 0.09 0.00 1.04 -0.96 -2.22 113.70 108.23 2wtr s SER 202 Ca 0.13 0.61 -0.07 0.00 0.48 0.00 0.00 55.95 57.10 2wtr s SER 202 Cb 0.02 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.58 2wtr s SER 202 CO -0.02 -0.42 0.36 -0.76 0.98 0.00 0.00 173.24 173.38 2wtr s LEU 203 N -0.95 4.32 0.42 2.42 1.43 -1.26 -0.16 118.68 124.89 2wtr s LEU 203 Ca -0.05 0.66 0.28 0.00 -1.03 0.00 0.00 54.13 54.00 2wtr s LEU 203 Cb -0.01 -3.05 0.94 0.00 0.03 0.00 0.00 46.19 44.10 2wtr s LEU 203 CO 0.04 0.14 1.80 -2.24 0.23 0.00 0.00 176.35 176.32 2wtr h ASP 204 N 3.41 0.00 -5.03 2.29 2.03 -1.95 -3.41 116.42 113.76 2wtr h ASP 204 Ca -0.48 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 55.66 2wtr h ASP 204 Cb 1.18 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 39.49 2wtr h ASP 204 CO 0.69 0.00 -0.70 -0.54 -1.03 0.00 0.00 179.24 177.66 2wtr s LYS 205 N -3.40 0.41 -0.17 4.15 1.02 -1.26 -4.86 119.74 115.63 2wtr s LYS 205 Ca 0.05 -0.79 -0.07 0.00 0.02 0.00 0.00 55.97 55.17 2wtr s LYS 205 Cb 0.08 0.11 -0.22 0.00 -0.52 0.00 0.00 37.83 37.28 2wtr s LYS 205 CO 0.56 -0.06 0.18 -1.91 -0.92 0.00 0.00 175.35 173.19 2wtr n GLU 206 N 1.17 0.70 -3.62 1.68 2.13 -1.26 -4.81 120.64 116.63 2wtr n GLU 206 Ca -0.21 0.28 -0.40 0.00 0.66 0.00 0.00 57.16 57.49 2wtr n GLU 206 Cb 0.57 -1.66 -0.10 0.00 0.27 0.00 0.00 31.44 30.51 2wtr n GLU 206 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2wtr s ILE 207 N -2.52 4.14 -0.04 6.31 1.01 -1.26 -1.02 121.20 127.81 2wtr s ILE 207 Ca -0.27 -1.45 -0.09 0.00 0.00 0.00 0.00 60.65 58.85 2wtr s ILE 207 Cb 0.07 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 2wtr s ILE 207 CO 0.69 -0.52 0.25 -0.31 0.00 0.00 0.00 174.94 175.06 2wtr s TYR 208 N 1.40 3.62 0.35 3.97 1.51 0.88 -4.93 117.35 124.15 2wtr s TYR 208 Ca 0.03 0.65 0.05 0.00 -1.01 0.00 0.00 57.07 56.79 2wtr s TYR 208 Cb -0.23 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.57 2wtr s TYR 208 CO 0.02 0.67 0.51 0.71 -1.11 0.00 0.00 175.55 176.34 2wtr s TYR 209 N -1.14 3.19 0.41 2.71 1.51 -1.26 -0.68 117.35 122.09 2wtr s TYR 209 Ca 0.22 -0.07 -0.26 0.00 -1.01 0.00 0.00 57.07 55.94 2wtr s TYR 209 Cb -0.14 -2.02 -0.10 0.00 -0.11 0.00 0.00 41.96 39.59 2wtr s TYR 209 CO 0.11 -0.04 1.37 0.72 -1.11 0.00 0.00 175.55 176.60 2wtr n HIS 210 N -1.73 2.52 0.00 2.71 8.25 -1.14 -1.85 115.22 123.99 2wtr n HIS 210 Ca -0.01 0.47 0.00 0.00 -0.26 0.00 0.00 57.72 57.93 2wtr n HIS 210 Cb 0.58 -2.44 0.00 0.00 1.12 0.00 0.00 29.99 29.25 2wtr n HIS 210 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wtr n GLY 211 N 0.65 2.59 3.70 -1.41 0.00 -1.26 -4.87 105.19 104.58 2wtr n GLY 211 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2wtr n GLY 211 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wtr s GLU 212 N 0.00 4.36 0.30 1.61 2.12 -0.77 -4.99 118.70 121.33 2wtr s GLU 212 Ca 0.00 1.75 -0.29 0.00 0.36 0.00 0.00 54.97 56.79 2wtr s GLU 212 Cb 0.00 -3.49 -0.10 0.00 0.26 0.00 0.00 34.13 30.80 2wtr s GLU 212 CO 0.00 -0.41 1.26 -2.14 -0.54 0.00 0.00 175.26 173.43 2wtr s PRO 213 N 1.89 4.43 -0.22 4.30 0.02 -1.26 -4.69 135.00 139.46 2wtr s PRO 213 Ca 0.58 2.10 -0.11 0.00 0.02 0.00 0.00 61.00 63.59 2wtr s PRO 213 Cb -0.27 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.08 2wtr s PRO 213 CO 0.25 -0.11 0.17 0.42 -0.33 0.00 0.00 177.00 177.40 2wtr s ILE 214 N -0.94 5.37 -0.42 2.83 1.01 0.15 -4.93 121.20 124.27 2wtr s ILE 214 Ca 0.49 0.22 -0.15 0.00 0.00 0.00 0.00 60.65 61.21 2wtr s ILE 214 Cb -0.37 -3.50 0.03 0.00 0.01 0.00 0.00 42.46 38.62 2wtr s ILE 214 CO 0.48 0.38 0.33 -0.44 0.00 0.00 0.00 174.94 175.69 2wtr s SER 215 N 0.77 6.13 -0.19 3.58 0.01 -1.26 -1.74 113.70 121.00 2wtr s SER 215 Ca 0.09 -0.93 -0.19 0.00 1.31 0.00 0.00 55.95 56.23 2wtr s SER 215 Cb -0.13 -2.17 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 2wtr s SER 215 CO 0.02 -0.50 0.52 -0.69 0.41 0.00 0.00 173.24 173.00 2wtr s VAL 216 N 1.74 5.11 -0.79 3.43 1.01 0.56 -3.08 120.40 128.39 2wtr s VAL 216 Ca 0.06 0.97 -0.18 0.00 0.00 0.00 0.00 61.98 62.83 2wtr s VAL 216 Cb -0.19 -3.85 0.13 0.00 0.00 0.00 0.00 36.38 32.47 2wtr s VAL 216 CO 0.10 0.19 0.93 0.20 0.00 0.00 0.00 175.10 176.52 2wtr s ASN 217 N 1.08 6.47 0.15 3.32 0.01 0.78 -1.06 114.94 125.69 2wtr s ASN 217 Ca 0.25 -1.86 -0.22 0.00 -0.71 0.00 0.00 52.86 50.31 2wtr s ASN 217 Cb -0.15 -2.34 -0.08 0.00 0.41 0.00 0.00 41.25 39.09 2wtr s ASN 217 CO 0.10 -1.04 0.71 -0.69 -1.51 0.00 0.00 177.10 174.67 2wtr s VAL 218 N 2.42 4.51 -0.30 1.60 1.01 -0.74 -2.26 120.40 126.64 2wtr s VAL 218 Ca 0.23 1.48 0.02 0.00 0.00 0.00 0.00 61.98 63.72 2wtr s VAL 218 Cb -0.12 -4.01 0.16 0.00 0.00 0.00 0.00 36.38 32.40 2wtr s VAL 218 CO -0.03 0.46 0.42 -2.28 0.00 0.00 0.00 175.10 173.67 2wtr s HIS 219 N -1.22 -1.00 0.42 5.22 5.04 0.40 -2.20 115.29 121.96 2wtr s HIS 219 Ca 0.36 0.23 -0.02 0.00 -1.54 0.00 0.00 55.06 54.09 2wtr s HIS 219 Cb -0.21 -0.15 -0.03 0.00 0.04 0.00 0.00 32.58 32.23 2wtr s HIS 219 CO 0.23 -1.00 0.67 0.08 -2.34 0.00 0.00 174.74 172.39 2wtr s VAL 220 N 2.43 4.83 -0.44 0.89 1.01 -0.22 -2.44 120.40 126.45 2wtr s VAL 220 Ca 0.10 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 61.95 2wtr s VAL 220 Cb -0.12 -3.80 0.18 0.00 0.00 0.00 0.00 36.38 32.63 2wtr s VAL 220 CO -0.27 -0.65 0.47 -0.89 0.00 0.00 0.00 175.10 173.77 2wtr s THR 221 N -2.54 -0.17 -0.70 3.92 2.01 0.08 -1.67 115.64 116.56 2wtr s THR 221 Ca 0.44 -1.95 -0.27 0.00 0.31 0.00 0.00 61.69 60.23 2wtr s THR 221 Cb -0.10 -0.78 0.01 0.00 0.01 0.00 0.00 72.50 71.64 2wtr s THR 221 CO 0.40 -0.77 1.57 0.21 -0.69 0.00 0.00 174.62 175.34 2wtr s ASN 222 N 0.45 5.74 -0.31 3.53 2.47 -0.88 -1.67 114.94 124.27 2wtr s ASN 222 Ca 0.31 -0.16 0.03 0.00 0.42 0.00 0.00 52.86 53.46 2wtr s ASN 222 Cb 0.01 -2.55 0.48 0.00 -1.45 0.00 0.00 41.25 37.75 2wtr s ASN 222 CO -0.13 -2.10 1.64 0.59 -3.72 0.00 0.00 177.10 173.38 2wtr n ASN 223 N 11.03 3.58 -4.25 -4.21 3.02 -1.20 -1.47 115.26 121.75 2wtr n ASN 223 Ca 0.13 -3.13 -0.22 0.00 -0.03 0.00 0.00 54.58 51.34 2wtr n ASN 223 Cb 0.50 -0.74 -0.09 0.00 -0.61 0.00 0.00 39.78 38.84 2wtr n ASN 223 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2wtr s THR 224 N -2.35 0.76 -0.61 3.41 -4.23 -1.26 -4.18 115.64 107.17 2wtr s THR 224 Ca 0.41 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.16 2wtr s THR 224 Cb 0.34 -2.57 0.21 0.00 1.34 0.00 0.00 72.50 71.82 2wtr s THR 224 CO 0.08 0.00 1.56 -0.55 -0.54 0.00 0.00 174.62 175.17 2wtr h ASN 225 N 2.05 0.00 -3.69 3.99 7.08 -1.92 -1.70 115.58 121.39 2wtr h ASN 225 Ca -0.37 -0.06 -0.44 0.00 -3.08 0.00 0.00 56.30 52.34 2wtr h ASN 225 Cb 1.26 0.00 0.17 0.00 -2.08 0.00 0.00 38.32 37.67 2wtr h ASN 225 CO 0.61 0.03 0.14 -0.54 -2.08 0.00 0.00 177.43 175.59 2wtr s LYS 226 N -3.16 -0.05 -0.03 4.14 -0.14 -1.26 -4.65 119.74 114.58 2wtr s LYS 226 Ca 0.08 0.54 -0.00 0.00 -1.36 0.00 0.00 55.97 55.22 2wtr s LYS 226 Cb 0.11 -1.68 0.03 0.00 -1.68 0.00 0.00 37.83 34.61 2wtr s LYS 226 CO 0.66 -3.06 0.01 0.99 -0.76 0.00 0.00 175.35 173.19 2wtr s THR 227 N -2.85 0.13 -0.31 2.17 2.01 -1.26 -3.71 115.64 111.83 2wtr s THR 227 Ca 0.66 0.15 -0.29 0.00 0.31 0.00 0.00 61.69 62.52 2wtr s THR 227 Cb -0.20 -0.26 -0.00 0.00 0.01 0.00 0.00 72.50 72.04 2wtr s THR 227 CO 0.59 0.16 1.42 -0.69 -0.69 0.00 0.00 174.62 175.41 2wtr s VAL 228 N 1.28 3.96 -0.17 3.82 1.01 -0.91 -0.96 120.40 128.44 2wtr s VAL 228 Ca -0.06 1.05 0.17 0.00 0.00 0.00 0.00 61.98 63.14 2wtr s VAL 228 Cb -0.13 -4.04 0.12 0.00 0.00 0.00 0.00 36.38 32.33 2wtr s VAL 228 CO -0.02 -0.49 1.51 0.07 0.00 0.00 0.00 175.10 176.17 2wtr h LYS 229 N 10.08 0.00 -2.51 2.72 2.10 -1.23 -2.25 116.57 125.48 2wtr h LYS 229 Ca -0.29 0.00 0.17 0.00 -2.00 0.00 0.00 60.65 58.54 2wtr h LYS 229 Cb 1.12 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.41 2wtr h LYS 229 CO 1.04 0.40 0.60 -1.59 -2.00 0.00 0.00 179.45 177.90 2wtr s LYS 230 N -3.07 1.26 -0.13 0.07 -2.85 -1.21 -4.58 119.74 109.22 2wtr s LYS 230 Ca 0.04 -0.81 -0.04 0.00 -1.00 0.00 0.00 55.97 54.16 2wtr s LYS 230 Cb 0.07 0.35 0.06 0.00 -2.06 0.00 0.00 37.83 36.26 2wtr s LYS 230 CO 0.72 -0.59 0.17 0.42 0.10 0.00 0.00 175.35 176.17 2wtr s ILE 231 N -2.17 -0.26 -0.30 3.79 1.01 0.40 -2.03 121.20 121.65 2wtr s ILE 231 Ca 0.22 0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.86 2wtr s ILE 231 Cb -0.02 -0.45 -0.02 0.00 0.01 0.00 0.00 42.46 41.97 2wtr s ILE 231 CO 0.05 -0.02 0.41 -0.54 0.00 0.00 0.00 174.94 174.85 2wtr s LYS 232 N 2.28 3.86 0.03 2.79 1.02 0.13 -1.49 119.74 128.36 2wtr s LYS 232 Ca 0.04 -0.06 -0.00 0.00 0.02 0.00 0.00 55.97 55.97 2wtr s LYS 232 Cb -0.14 -3.71 -0.04 0.00 -0.52 0.00 0.00 37.83 33.42 2wtr s LYS 232 CO -0.08 -0.40 0.16 0.42 -0.92 0.00 0.00 175.35 174.52 2wtr s ILE 233 N 2.15 5.15 -0.26 2.17 -1.09 -0.10 -0.73 121.20 128.49 2wtr s ILE 233 Ca 0.16 -0.39 -0.26 0.00 -2.23 0.00 0.00 60.65 57.92 2wtr s ILE 233 Cb -0.16 -3.45 0.14 0.00 -1.58 0.00 0.00 42.46 37.41 2wtr s ILE 233 CO 0.11 0.22 1.12 -0.94 -1.23 0.00 0.00 174.94 174.22 2wtr s SER 234 N -2.21 -0.34 -0.01 3.58 1.04 -0.94 -0.87 113.70 113.95 2wtr s SER 234 Ca 0.30 0.60 -0.09 0.00 0.48 0.00 0.00 55.95 57.24 2wtr s SER 234 Cb -0.13 0.59 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 2wtr s SER 234 CO 0.22 -0.15 0.29 -0.69 0.98 0.00 0.00 173.24 173.89 2wtr s VAL 235 N -0.10 5.26 -0.03 5.02 1.01 -0.82 -0.55 120.40 130.19 2wtr s VAL 235 Ca 0.03 0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.39 2wtr s VAL 235 Cb -0.04 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.77 2wtr s VAL 235 CO -0.07 0.46 -0.06 -0.13 0.00 0.00 0.00 175.10 175.29 2wtr s ARG 236 N -1.48 0.76 0.21 2.72 0.52 -0.72 -1.64 118.95 119.33 2wtr s ARG 236 Ca 0.25 -0.20 -0.05 0.00 -0.52 0.00 0.00 55.73 55.21 2wtr s ARG 236 Cb -0.14 -0.74 -0.06 0.00 0.52 0.00 0.00 34.95 34.54 2wtr s ARG 236 CO 0.13 0.04 0.47 -1.14 0.02 0.00 0.00 175.30 174.82 2wtr s GLN 237 N 0.37 3.64 -0.28 3.54 0.74 -0.55 -1.87 119.66 125.25 2wtr s GLN 237 Ca -0.05 -0.03 -0.03 0.00 0.05 0.00 0.00 55.36 55.29 2wtr s GLN 237 Cb -0.09 -2.75 0.09 0.00 1.10 0.00 0.00 33.01 31.37 2wtr s GLN 237 CO 0.00 0.35 0.11 0.71 -0.55 0.00 0.00 175.29 175.91 2wtr s TYR 238 N -1.86 0.61 -0.29 1.67 1.51 0.16 -2.67 117.35 116.48 2wtr s TYR 238 Ca 0.43 -0.99 -0.10 0.00 -1.01 0.00 0.00 57.07 55.40 2wtr s TYR 238 Cb -0.11 -1.04 -0.03 0.00 -0.11 0.00 0.00 41.96 40.66 2wtr s TYR 238 CO 0.26 -0.79 0.16 0.00 -1.11 0.00 0.00 175.55 174.07 2wtr s ALA 239 N 2.00 3.37 -0.30 3.71 0.00 -0.95 -1.81 121.76 127.78 2wtr s ALA 239 Ca 0.08 -1.22 -0.07 0.00 0.00 0.00 0.00 51.96 50.75 2wtr s ALA 239 Cb -0.16 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.58 2wtr s ALA 239 CO -0.30 -0.69 0.10 -0.51 0.00 0.00 0.00 175.76 174.36 2wtr s ASP 240 N 1.68 5.22 0.45 0.00 1.01 0.18 -0.14 116.67 125.08 2wtr s ASP 240 Ca 0.06 -0.66 -0.22 0.00 0.71 0.00 0.00 52.55 52.44 2wtr s ASP 240 Cb -0.16 -1.91 -0.08 0.00 1.01 0.00 0.00 42.92 41.78 2wtr s ASP 240 CO 0.08 -0.19 1.09 -0.63 0.21 0.00 0.00 175.17 175.73 2wtr s ILE 241 N 1.53 3.47 0.00 0.77 -1.09 -0.55 -0.88 121.20 124.45 2wtr s ILE 241 Ca 0.03 1.04 0.00 0.00 -2.23 0.00 0.00 60.65 59.50 2wtr s ILE 241 Cb -0.17 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 2wtr s ILE 241 CO 0.03 -0.07 0.57 0.00 -1.23 0.00 0.00 174.94 174.24 2wtr s LEU 243 N 0.00 1.55 0.00 0.00 1.43 -1.26 -4.79 118.68 115.61 2wtr s LEU 243 Ca 0.00 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 2wtr s LEU 243 Cb 0.00 0.37 0.00 0.00 0.03 0.00 0.00 46.19 46.59 2wtr s LEU 243 CO 0.00 -0.04 0.00 0.33 0.23 0.00 0.00 176.35 176.87 2wtr n PHE 244 N 3.07 0.00 -3.32 0.29 7.35 -1.26 -4.53 117.46 119.06 2wtr n PHE 244 Ca -0.13 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.46 2wtr n PHE 244 Cb 0.59 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.35 2wtr n PHE 244 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 2wtr s ASN 245 N 0.00 0.60 0.19 -2.13 3.04 -1.26 -5.14 114.94 110.24 2wtr s ASN 245 Ca 0.00 -0.49 -0.30 0.00 0.04 0.00 0.00 52.86 52.11 2wtr s ASN 245 Cb 0.00 1.00 -0.09 0.00 -1.54 0.00 0.00 41.25 40.62 2wtr s ASN 245 CO 0.00 -0.36 1.36 -0.89 -3.04 0.00 0.00 177.10 174.17 2wtr s THR 246 N 2.47 3.12 -0.29 -5.21 2.01 -1.26 -4.63 115.64 111.86 2wtr s THR 246 Ca 0.10 0.89 -0.20 0.00 0.31 0.00 0.00 61.69 62.79 2wtr s THR 246 Cb -0.13 -3.57 0.14 0.00 0.01 0.00 0.00 72.50 68.96 2wtr s THR 246 CO -0.30 0.12 1.05 0.00 -0.69 0.00 0.00 174.62 174.80 2wtr s ALA 247 N 0.37 -2.18 -0.24 7.40 0.00 -1.25 -5.00 121.76 120.87 2wtr s ALA 247 Ca 0.59 2.03 -0.15 0.00 0.00 0.00 0.00 51.96 54.44 2wtr s ALA 247 Cb -0.38 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 2wtr s ALA 247 CO 0.37 -0.28 0.37 -0.65 0.00 0.00 0.00 175.76 175.56 2wtr s GLN 248 N 0.81 4.08 0.25 0.00 1.11 -1.26 -1.49 119.66 123.17 2wtr s GLN 248 Ca -0.03 0.08 0.06 0.00 0.01 0.00 0.00 55.36 55.48 2wtr s GLN 248 Cb -0.04 -3.60 -0.03 0.00 -1.01 0.00 0.00 33.01 28.33 2wtr s GLN 248 CO -0.12 -0.16 0.28 0.71 0.01 0.00 0.00 175.29 176.02 2wtr s TYR 249 N 1.70 3.26 -0.28 0.91 1.51 0.81 -5.00 117.35 120.26 2wtr s TYR 249 Ca 0.16 -0.08 -0.19 0.00 -1.01 0.00 0.00 57.07 55.95 2wtr s TYR 249 Cb -0.15 -1.51 0.11 0.00 -0.11 0.00 0.00 41.96 40.30 2wtr s TYR 249 CO 0.09 0.46 0.84 -1.59 -1.11 0.00 0.00 175.55 174.24 2wtr s LYS 250 N -3.92 0.59 -0.27 -0.62 -2.85 -1.26 -2.25 119.74 109.16 2wtr s LYS 250 Ca 0.34 0.91 -0.24 0.00 -1.00 0.00 0.00 55.97 55.98 2wtr s LYS 250 Cb -0.08 0.18 0.07 0.00 -2.06 0.00 0.00 37.83 35.94 2wtr s LYS 250 CO 0.27 -0.10 0.71 0.00 0.10 0.00 0.00 175.35 176.33 2wtr s PRO 252 N 0.54 1.94 0.00 0.00 0.02 -1.26 -1.48 135.00 134.76 2wtr s PRO 252 Ca -0.01 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.61 2wtr s PRO 252 Cb -0.05 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.64 2wtr s PRO 252 CO -0.02 -1.95 0.30 1.33 -0.33 0.00 0.00 177.00 176.33 2wtr n VAL 253 N -3.15 0.01 -3.62 3.83 0.24 -0.65 -4.83 118.33 110.16 2wtr n VAL 253 Ca 0.12 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.34 62.31 2wtr n VAL 253 Cb 0.51 1.41 -0.06 0.00 -1.47 0.00 0.00 33.84 34.22 2wtr n VAL 253 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wtr s ALA 254 N -0.01 -1.96 -0.19 2.33 0.00 -1.22 -2.61 121.76 118.09 2wtr s ALA 254 Ca 0.00 1.77 -0.21 0.00 0.00 0.00 0.00 51.96 53.53 2wtr s ALA 254 Cb 0.00 -1.20 0.06 0.00 0.00 0.00 0.00 23.12 21.97 2wtr s ALA 254 CO 0.00 -0.26 0.57 1.41 0.00 0.00 0.00 175.76 177.48 2wtr s MET 255 N -0.21 0.70 -0.28 0.00 0.00 -1.26 -1.94 119.30 116.31 2wtr s MET 255 Ca 0.02 0.70 -0.03 0.00 0.00 0.00 0.00 55.69 56.38 2wtr s MET 255 Cb -0.04 0.34 0.16 0.00 0.00 0.00 0.00 34.83 35.29 2wtr s MET 255 CO -0.04 -0.11 0.53 -2.00 0.00 0.00 0.00 175.02 173.40 2wtr s GLU 256 N 0.10 0.49 -0.42 4.11 2.12 -0.05 -4.98 118.70 120.07 2wtr s GLU 256 Ca -0.02 0.93 -0.17 0.00 0.36 0.00 0.00 54.97 56.07 2wtr s GLU 256 Cb -0.04 0.28 0.02 0.00 0.26 0.00 0.00 34.13 34.65 2wtr s GLU 256 CO 0.02 -0.55 0.43 -1.21 -0.54 0.00 0.00 175.26 173.42 2wtr s GLU 257 N 2.75 3.11 -0.20 4.30 2.02 -1.26 -0.92 118.70 128.51 2wtr s GLU 257 Ca 0.13 -0.75 -0.08 0.00 0.02 0.00 0.00 54.97 54.30 2wtr s GLU 257 Cb -0.15 -3.96 -0.04 0.00 0.10 0.00 0.00 34.13 30.08 2wtr s GLU 257 CO -0.19 -0.84 0.07 0.00 0.02 0.00 0.00 175.26 174.32 2wtr s ALA 258 N 2.13 3.38 -0.22 5.21 0.00 -0.56 -4.98 121.76 126.72 2wtr s ALA 258 Ca 0.12 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.26 2wtr s ALA 258 Cb -0.17 -1.98 0.03 0.00 0.00 0.00 0.00 23.12 21.00 2wtr s ALA 258 CO 0.14 0.04 0.93 -0.25 0.00 0.00 0.00 175.76 176.62 2wtr n ASP 259 N 3.83 2.64 -4.62 0.00 10.43 -1.26 -0.45 116.55 127.11 2wtr n ASP 259 Ca -0.16 -2.06 -0.43 0.00 2.57 0.00 0.00 54.79 54.71 2wtr n ASP 259 Cb 0.52 -0.51 -0.03 0.00 1.84 0.00 0.00 41.12 42.94 2wtr n ASP 259 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 2wtr s ASP 260 N 0.71 6.21 -0.00 -2.24 1.01 -1.26 -4.75 116.67 116.34 2wtr s ASP 260 Ca 0.02 1.71 -0.16 0.00 0.71 0.00 0.00 52.55 54.84 2wtr s ASP 260 Cb 0.02 -2.53 -0.06 0.00 1.01 0.00 0.00 42.92 41.36 2wtr s ASP 260 CO 0.00 -1.38 0.45 -0.89 0.21 0.00 0.00 175.17 173.56 2wtr s THR 261 N 5.73 5.00 -0.29 -1.27 2.01 -1.26 -4.22 115.64 121.34 2wtr s THR 261 Ca 0.78 0.92 -0.08 0.00 0.31 0.00 0.00 61.69 63.62 2wtr s THR 261 Cb -0.27 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.47 2wtr s THR 261 CO 0.32 0.54 0.11 -0.69 -0.69 0.00 0.00 174.62 174.20 2wtr s VAL 262 N -0.85 4.35 0.53 3.82 1.01 -0.85 -4.98 120.40 123.44 2wtr s VAL 262 Ca 0.25 -0.40 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 2wtr s VAL 262 Cb -0.17 -3.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.98 2wtr s VAL 262 CO 0.14 0.16 1.05 0.00 0.00 0.00 0.00 175.10 176.45 2wtr s ALA 263 N 1.59 2.82 0.47 5.51 0.00 -1.26 -2.14 121.76 128.74 2wtr s ALA 263 Ca 0.05 0.52 -0.24 0.00 0.00 0.00 0.00 51.96 52.29 2wtr s ALA 263 Cb -0.16 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.63 2wtr s ALA 263 CO 0.04 -0.52 1.35 -2.30 0.00 0.00 0.00 175.76 174.33 2wtr n PRO 264 N -1.41 1.97 -3.76 0.00 -0.02 -1.24 -3.07 135.00 127.47 2wtr n PRO 264 Ca 0.09 0.71 -0.23 0.00 -2.02 0.00 0.00 63.50 62.05 2wtr n PRO 264 Cb 0.53 -2.53 0.02 0.00 -0.02 0.00 0.00 33.50 31.50 2wtr n PRO 264 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2wtr n SER 265 N -0.30 -1.37 -3.71 2.55 7.64 -0.54 -4.97 113.62 112.92 2wtr n SER 265 Ca 0.07 -0.85 -0.14 0.00 1.01 0.00 0.00 58.87 58.97 2wtr n SER 265 Cb 0.42 -3.87 -0.09 0.00 -1.01 0.00 0.00 64.21 59.66 2wtr n SER 265 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2wtr s SER 266 N -4.26 -0.38 0.45 6.43 1.04 -0.65 -4.99 113.70 111.35 2wtr s SER 266 Ca 0.07 0.54 -0.10 0.00 0.48 0.00 0.00 55.95 56.94 2wtr s SER 266 Cb -0.04 0.61 -0.06 0.00 0.10 0.00 0.00 66.02 66.64 2wtr s SER 266 CO 0.83 -0.33 0.82 -0.89 0.98 0.00 0.00 173.24 174.65 2wtr s THR 267 N -0.58 4.77 -0.01 2.02 2.01 -1.26 -2.07 115.64 120.52 2wtr s THR 267 Ca -0.07 0.63 -0.04 0.00 0.31 0.00 0.00 61.69 62.52 2wtr s THR 267 Cb -0.04 -3.77 -0.00 0.00 0.01 0.00 0.00 72.50 68.70 2wtr s THR 267 CO 0.03 -0.66 0.08 0.12 -0.69 0.00 0.00 174.62 173.50 2wtr s PHE 268 N -2.55 0.04 -0.10 4.92 5.36 -0.67 -4.96 117.98 120.02 2wtr s PHE 268 Ca 0.52 -0.07 -0.11 0.00 -0.96 0.00 0.00 56.93 56.30 2wtr s PHE 268 Cb -0.10 -0.05 0.03 0.00 -0.34 0.00 0.00 43.02 42.56 2wtr s PHE 268 CO 0.36 -0.18 0.30 0.00 -1.46 0.00 0.00 175.22 174.25 2wtr s LYS 270 N -0.14 0.12 -0.55 0.00 2.20 -0.93 -5.02 119.74 115.42 2wtr s LYS 270 Ca -0.03 0.18 -0.19 0.00 -0.36 0.00 0.00 55.97 55.57 2wtr s LYS 270 Cb -0.03 0.04 0.08 0.00 -1.51 0.00 0.00 37.83 36.41 2wtr s LYS 270 CO 0.01 -0.02 0.66 0.08 -0.36 0.00 0.00 175.35 175.72 2wtr s VAL 271 N 0.70 4.85 0.63 4.02 1.01 -1.26 -1.79 120.40 128.56 2wtr s VAL 271 Ca -0.03 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 2wtr s VAL 271 Cb -0.03 -4.39 -0.01 0.00 0.00 0.00 0.00 36.38 31.95 2wtr s VAL 271 CO -0.12 -0.95 1.02 -0.31 0.00 0.00 0.00 175.10 174.73 2wtr s TYR 272 N 2.66 3.47 -0.12 5.22 1.51 -0.22 -4.86 117.35 125.00 2wtr s TYR 272 Ca 0.13 1.08 -0.11 0.00 -1.01 0.00 0.00 57.07 57.17 2wtr s TYR 272 Cb -0.21 -2.81 0.03 0.00 -0.11 0.00 0.00 41.96 38.86 2wtr s TYR 272 CO 0.09 -0.84 0.32 0.99 -1.11 0.00 0.00 175.55 175.00 2wtr s THR 273 N -3.18 -0.00 0.20 -0.71 2.01 -1.26 -0.32 115.64 112.37 2wtr s THR 273 Ca 0.55 0.01 -0.19 0.00 0.31 0.00 0.00 61.69 62.37 2wtr s THR 273 Cb -0.11 -0.45 0.04 0.00 0.01 0.00 0.00 72.50 71.99 2wtr s THR 273 CO 0.51 0.01 0.58 -1.48 -0.69 0.00 0.00 174.62 173.55 2wtr s LEU 274 N 0.29 -0.14 -0.08 4.42 0.05 -0.71 -4.97 118.68 117.54 2wtr s LEU 274 Ca -0.01 -0.39 -0.01 0.00 0.05 0.00 0.00 54.13 53.77 2wtr s LEU 274 Cb -0.03 2.36 0.03 0.00 -2.05 0.00 0.00 46.19 46.50 2wtr s LEU 274 CO -0.01 -1.09 -0.01 -0.89 -0.55 0.00 0.00 176.35 173.81 2wtr s THR 275 N -3.85 0.47 0.31 5.48 2.01 -1.26 0.32 115.64 119.11 2wtr s THR 275 Ca 0.07 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 2wtr s THR 275 Cb -0.02 -0.61 -0.11 0.00 0.01 0.00 0.00 72.50 71.77 2wtr s THR 275 CO -0.04 0.27 1.57 -2.84 -0.69 0.00 0.00 174.62 172.90 2wtr s PRO 276 N 1.94 4.13 -0.09 4.92 0.02 -1.26 -4.81 135.00 139.84 2wtr s PRO 276 Ca 0.05 2.56 -0.12 0.00 0.02 0.00 0.00 61.00 63.51 2wtr s PRO 276 Cb -0.12 -3.02 0.03 0.00 0.02 0.00 0.00 34.50 31.41 2wtr s PRO 276 CO -0.06 -0.60 0.32 -0.59 -0.33 0.00 0.00 177.00 175.74 2wtr s PHE 277 N -0.21 -0.30 -0.31 6.54 -0.12 -1.07 -4.50 117.98 118.01 2wtr s PHE 277 Ca 0.61 0.67 0.23 0.00 -0.05 0.00 0.00 56.93 58.39 2wtr s PHE 277 Cb -0.47 0.11 0.12 0.00 -0.63 0.00 0.00 43.02 42.15 2wtr s PHE 277 CO 0.50 -0.25 1.23 1.25 -0.05 0.00 0.00 175.22 177.91 2wtr h LEU 278 N 5.04 0.00 0.00 -1.99 5.85 -1.94 -3.43 115.31 118.83 2wtr h LEU 278 Ca -0.27 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.44 2wtr h LEU 278 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2wtr h LEU 278 CO 0.33 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.43 2wtr n ALA 279 N -2.15 0.00 -0.53 1.25 0.00 -1.26 -2.37 120.51 115.46 2wtr n ALA 279 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.40 2wtr n ALA 279 Cb 0.54 0.08 -0.07 0.00 0.00 0.00 0.00 19.45 20.00 2wtr n ALA 279 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2wtr n ASN 280 N -0.39 3.37 -0.17 0.00 3.02 -1.26 -3.39 115.26 116.44 2wtr n ASN 280 Ca 0.00 -2.05 0.01 0.00 -0.03 0.00 0.00 54.58 52.52 2wtr n ASN 280 Cb 0.00 -0.84 0.02 0.00 -0.61 0.00 0.00 39.78 38.35 2wtr n ASN 280 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wtr n ASN 281 N 2.33 0.59 -0.16 6.41 3.02 -1.00 -4.82 115.26 121.63 2wtr n ASN 281 Ca 0.18 -1.74 -0.03 0.00 -0.03 0.00 0.00 54.58 52.95 2wtr n ASN 281 Cb 0.49 -0.12 0.17 0.00 -0.61 0.00 0.00 39.78 39.71 2wtr n ASN 281 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2wtr h ARG 282 N 0.00 0.91 -0.34 3.52 -0.00 -1.71 -2.63 114.38 114.12 2wtr h ARG 282 Ca 0.00 -0.17 -0.11 0.00 -0.50 0.00 0.00 59.98 59.19 2wtr h ARG 282 Cb 1.06 -0.14 -0.01 0.00 0.00 0.00 0.00 29.97 30.87 2wtr h ARG 282 CO 0.00 0.79 -0.25 0.93 0.00 0.00 0.00 179.97 181.43 2wtr h GLU 283 N 0.88 0.69 -7.10 0.04 5.08 -1.91 -3.43 114.58 108.82 2wtr h GLU 283 Ca 0.20 -0.29 -0.48 0.00 -1.00 0.00 0.00 59.36 57.79 2wtr h GLU 283 Cb 0.26 -0.03 0.04 0.00 0.50 0.00 0.00 28.75 29.53 2wtr h GLU 283 CO -0.01 0.88 0.39 0.15 -1.00 0.00 0.00 179.01 179.42 2wtr s LYS 284 N -4.54 3.60 0.33 2.33 1.02 -0.99 -5.05 119.74 116.44 2wtr s LYS 284 Ca -0.09 1.37 0.04 0.00 0.02 0.00 0.00 55.97 57.32 2wtr s LYS 284 Cb 0.13 -2.06 -0.03 0.00 -0.52 0.00 0.00 37.83 35.34 2wtr s LYS 284 CO 0.83 -0.60 0.17 1.03 -0.92 0.00 0.00 175.35 175.85 2wtr s ARG 285 N -3.44 1.69 0.00 1.68 1.81 -1.26 -4.79 118.95 114.63 2wtr s ARG 285 Ca 0.67 -1.98 0.00 0.00 -1.72 0.00 0.00 55.73 52.70 2wtr s ARG 285 Cb -0.18 -0.14 0.00 0.00 -0.45 0.00 0.00 34.95 34.18 2wtr s ARG 285 CO 0.25 -0.49 0.00 0.41 -0.68 0.00 0.00 175.30 174.80 2wtr n GLY 286 N -0.66 0.67 3.73 -3.53 0.00 0.35 -4.95 105.19 100.81 2wtr n GLY 286 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2wtr n GLY 286 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wtr s LEU 287 N 0.00 4.36 -0.35 0.99 2.96 -1.26 -4.69 118.68 120.69 2wtr s LEU 287 Ca 0.00 1.20 -0.28 0.00 -0.22 0.00 0.00 54.13 54.83 2wtr s LEU 287 Cb 0.00 -3.04 0.02 0.00 0.50 0.00 0.00 46.19 43.66 2wtr s LEU 287 CO 0.00 -0.04 1.02 0.00 -1.32 0.00 0.00 176.35 176.01 2wtr s ALA 288 N 0.43 3.43 0.42 5.97 0.00 -1.26 -4.10 121.76 126.65 2wtr s ALA 288 Ca 0.35 -0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.14 2wtr s ALA 288 Cb -0.18 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.28 2wtr s ALA 288 CO 0.18 -1.60 0.39 -0.51 0.00 0.00 0.00 175.76 174.21 2wtr s LEU 289 N 3.66 3.38 0.00 0.00 1.43 0.86 -1.61 118.68 126.40 2wtr s LEU 289 Ca 0.43 -0.75 0.17 0.00 -1.03 0.00 0.00 54.13 52.95 2wtr s LEU 289 Cb -0.12 -2.05 0.50 0.00 0.03 0.00 0.00 46.19 44.55 2wtr s LEU 289 CO 0.18 -0.67 1.40 -0.90 0.23 0.00 0.00 176.35 176.59 2wtr n ASP 290 N -1.56 2.33 -1.15 2.29 5.75 -0.61 0.39 116.55 123.98 2wtr n ASP 290 Ca 0.04 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 2wtr n ASP 290 Cb 0.62 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 2wtr n ASP 290 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wtr n GLY 291 N 1.23 0.52 3.76 6.12 0.00 -1.26 -4.38 105.19 111.18 2wtr n GLY 291 Ca 0.16 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 2wtr n GLY 291 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wtr s LYS 292 N -2.00 3.45 0.48 1.61 -0.14 -1.26 -4.47 119.74 117.40 2wtr s LYS 292 Ca 0.02 1.89 0.29 0.00 -1.36 0.00 0.00 55.97 56.81 2wtr s LYS 292 Cb -0.00 -2.27 1.00 0.00 -1.68 0.00 0.00 37.83 34.89 2wtr s LYS 292 CO -0.00 -0.84 1.84 1.25 -0.76 0.00 0.00 175.35 176.84 2wtr h LEU 293 N 1.65 0.00 -0.63 3.17 5.85 -2.00 -3.16 115.31 120.19 2wtr h LEU 293 Ca -0.50 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 2wtr h LEU 293 Cb 1.27 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 2wtr h LEU 293 CO 0.58 0.00 -0.11 0.07 -0.34 0.00 0.00 178.44 178.64 2wtr h LYS 294 N 0.00 0.00 -7.25 1.25 2.10 -1.94 -3.46 116.57 107.27 2wtr h LYS 294 Ca 0.00 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 58.18 2wtr h LYS 294 Cb 0.66 0.00 0.07 0.00 -0.90 0.00 0.00 32.23 32.05 2wtr h LYS 294 CO 0.00 0.11 0.24 -1.01 -2.00 0.00 0.00 179.45 176.79 2wtr s HIS 295 N -3.39 3.14 -0.20 0.07 3.76 -1.20 -3.70 115.29 113.78 2wtr s HIS 295 Ca 0.04 0.64 -0.23 0.00 -0.15 0.00 0.00 55.06 55.36 2wtr s HIS 295 Cb 0.07 -2.97 -0.20 0.00 1.11 0.00 0.00 32.58 30.60 2wtr s HIS 295 CO 0.64 -1.11 0.29 0.93 -0.85 0.00 0.00 174.74 174.64 2wtr h GLU 296 N -0.42 0.00 -0.08 1.40 5.08 -1.88 -3.38 114.58 115.31 2wtr h GLU 296 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2wtr h GLU 296 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2wtr h GLU 296 CO 0.61 0.99 0.00 -0.40 -1.00 0.00 0.00 179.01 179.21 2wtr n ASP 297 N -4.46 0.08 -4.78 1.42 5.75 -1.26 -4.77 116.55 108.52 2wtr n ASP 297 Ca -0.29 -0.90 -0.37 0.00 -0.01 0.00 0.00 54.79 53.22 2wtr n ASP 297 Cb 0.65 -0.04 -0.06 0.00 -1.03 0.00 0.00 41.12 40.64 2wtr n ASP 297 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2wtr s THR 298 N -1.83 4.11 0.28 2.12 2.01 -1.26 -5.04 115.64 116.04 2wtr s THR 298 Ca 0.00 1.77 0.04 0.00 0.31 0.00 0.00 61.69 63.81 2wtr s THR 298 Cb 0.00 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 2wtr s THR 298 CO 0.00 0.16 0.23 0.20 -0.69 0.00 0.00 174.62 174.52 2wtr s ASN 299 N -1.55 1.13 0.50 3.53 0.01 -1.26 -5.00 114.94 112.30 2wtr s ASN 299 Ca 0.50 -1.62 -0.23 0.00 -0.71 0.00 0.00 52.86 50.79 2wtr s ASN 299 Cb -0.20 0.50 -0.07 0.00 0.41 0.00 0.00 41.25 41.89 2wtr s ASN 299 CO 0.25 -0.99 1.38 -0.76 -1.51 0.00 0.00 177.10 175.48 2wtr s LEU 300 N -3.30 3.98 0.28 0.60 1.43 -1.26 -1.57 118.68 118.84 2wtr s LEU 300 Ca 0.40 2.82 -0.30 0.00 -1.03 0.00 0.00 54.13 56.03 2wtr s LEU 300 Cb 0.04 -4.11 -0.10 0.00 0.03 0.00 0.00 46.19 42.04 2wtr s LEU 300 CO 0.22 -1.36 1.44 0.00 0.23 0.00 0.00 176.35 176.88 2wtr s ALA 301 N -1.26 3.62 0.76 4.21 0.00 -0.63 -4.40 121.76 124.06 2wtr s ALA 301 Ca 0.66 1.37 -0.12 0.00 0.00 0.00 0.00 51.96 53.87 2wtr s ALA 301 Cb -0.42 -3.56 0.05 0.00 0.00 0.00 0.00 23.12 19.20 2wtr s ALA 301 CO 0.51 -0.79 1.12 -1.54 0.00 0.00 0.00 175.76 175.06 2wtr s SER 302 N 0.22 4.37 0.28 0.00 1.04 -1.26 -4.95 113.70 113.40 2wtr s SER 302 Ca 0.58 1.97 -0.29 0.00 0.48 0.00 0.00 55.95 58.69 2wtr s SER 302 Cb -0.43 -2.54 -0.10 0.00 0.10 0.00 0.00 66.02 63.05 2wtr s SER 302 CO 0.47 -2.13 1.39 -0.44 0.98 0.00 0.00 173.24 173.51 2wtr s SER 303 N -2.95 6.70 -0.23 7.02 0.01 -0.31 -4.71 113.70 119.23 2wtr s SER 303 Ca 0.65 2.67 -0.29 0.00 1.31 0.00 0.00 55.95 60.28 2wtr s SER 303 Cb -0.20 -2.63 -0.00 0.00 0.21 0.00 0.00 66.02 63.40 2wtr s SER 303 CO 0.52 -0.64 1.19 -0.89 0.41 0.00 0.00 173.24 173.83 2wtr s THR 304 N -0.41 4.38 -0.83 1.44 2.01 -0.71 -4.91 115.64 116.62 2wtr s THR 304 Ca 0.55 1.64 -0.25 0.00 0.31 0.00 0.00 61.69 63.94 2wtr s THR 304 Cb -0.41 -4.17 0.02 0.00 0.01 0.00 0.00 72.50 67.95 2wtr s THR 304 CO 0.47 -0.27 1.49 -0.76 -0.69 0.00 0.00 174.62 174.86 2wtr s LEU 305 N 3.63 3.29 -0.91 4.42 2.01 -1.26 -4.91 118.68 124.96 2wtr s LEU 305 Ca 0.51 -0.69 -0.24 0.00 0.01 0.00 0.00 54.13 53.71 2wtr s LEU 305 Cb -0.18 -2.56 0.01 0.00 0.01 0.00 0.00 46.19 43.48 2wtr s LEU 305 CO 0.14 -1.91 1.59 -0.76 1.01 0.00 0.00 176.35 176.43 2wtr s LEU 306 N 6.45 3.34 1.33 1.79 1.43 -1.26 -4.98 118.68 126.78 2wtr s LEU 306 Ca 0.47 -0.91 -0.20 0.00 -1.03 0.00 0.00 54.13 52.46 2wtr s LEU 306 Cb -0.06 -2.56 0.34 0.00 0.03 0.00 0.00 46.19 43.94 2wtr s LEU 306 CO 0.06 -1.98 0.98 -0.13 0.23 0.00 0.00 176.35 175.51 2wtr s ARG 307 N 5.84 -2.24 -0.63 1.70 0.52 -1.26 -4.73 118.95 118.16 2wtr s ARG 307 Ca 0.53 0.27 -0.29 0.00 -0.52 0.00 0.00 55.73 55.72 2wtr s ARG 307 Cb -0.04 -1.45 -0.12 0.00 0.52 0.00 0.00 34.95 33.86 2wtr s ARG 307 CO -0.01 -4.45 2.48 -1.91 0.02 0.00 0.00 175.30 171.43 2wtr n GLU 308 N -5.35 0.74 -1.93 3.54 4.07 -1.26 -1.95 120.64 118.49 2wtr n GLU 308 Ca 0.10 0.04 -0.15 0.00 -0.06 0.00 0.00 57.16 57.09 2wtr n GLU 308 Cb 0.59 -2.72 -0.04 0.00 -0.06 0.00 0.00 31.44 29.21 2wtr n GLU 308 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wtr n GLY 309 N 6.22 0.50 3.56 8.31 0.00 -1.26 -4.92 105.19 117.60 2wtr n GLY 309 Ca 0.47 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.18 2wtr n GLY 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wtr n ALA 310 N -0.68 -1.79 -2.23 4.61 0.00 -0.83 -4.88 120.51 114.72 2wtr n ALA 310 Ca -0.17 -0.75 -0.42 0.00 0.00 0.00 0.00 53.44 52.10 2wtr n ALA 310 Cb 0.57 -2.05 -0.03 0.00 0.00 0.00 0.00 19.45 17.95 2wtr n ALA 310 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2wtr s ASN 311 N -2.44 5.99 0.47 0.00 3.84 -1.26 -4.86 114.94 116.69 2wtr s ASN 311 Ca 0.65 0.68 0.30 0.00 0.21 0.00 0.00 52.86 54.70 2wtr s ASN 311 Cb -0.23 -2.54 1.09 0.00 -0.55 0.00 0.00 41.25 39.03 2wtr s ASN 311 CO 0.62 -1.74 1.86 -0.09 -2.79 0.00 0.00 177.10 174.96 2wtr h ARG 312 N 12.01 0.00 0.05 0.43 2.43 -2.00 -3.28 114.38 124.03 2wtr h ARG 312 Ca -0.28 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.65 2wtr h ARG 312 Cb 1.12 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.70 2wtr h ARG 312 CO 1.12 0.00 -0.95 1.49 -1.51 0.00 0.00 179.97 180.13 2wtr h GLU 313 N 0.00 0.54 -0.03 0.20 4.81 -1.89 -3.21 114.58 115.01 2wtr h GLU 313 Ca 0.00 -0.66 0.00 0.00 -0.13 0.00 0.00 59.36 58.57 2wtr h GLU 313 Cb 0.59 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.18 2wtr h GLU 313 CO 0.00 1.27 0.00 0.44 -0.73 0.00 0.00 179.01 179.99 2wtr n ILE 314 N -3.98 0.04 1.07 2.32 -5.35 -1.24 -3.03 119.36 109.18 2wtr n ILE 314 Ca -0.12 -0.05 0.12 0.00 -0.27 0.00 0.00 62.75 62.43 2wtr n ILE 314 Cb 0.84 -0.14 0.27 0.00 -1.74 0.00 0.00 39.64 38.88 2wtr n ILE 314 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2wtr n LEU 315 N -0.57 0.66 0.00 7.28 4.77 -1.21 -4.77 117.00 123.16 2wtr n LEU 315 Ca 0.11 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2wtr n LEU 315 Cb 0.08 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2wtr n LEU 315 CO 0.08 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 2wtr n GLY 316 N 1.46 1.09 3.53 -0.72 0.00 -1.17 -4.66 105.19 104.72 2wtr n GLY 316 Ca 0.07 0.44 -0.34 0.00 0.00 0.00 0.00 46.02 46.19 2wtr n GLY 316 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wtr s ILE 317 N 0.00 4.20 -0.37 -0.61 1.01 -1.26 -0.69 121.20 123.48 2wtr s ILE 317 Ca 0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 60.65 60.31 2wtr s ILE 317 Cb 0.00 -2.87 0.03 0.00 0.01 0.00 0.00 42.46 39.63 2wtr s ILE 317 CO 0.00 0.46 0.19 -0.63 0.00 0.00 0.00 174.94 174.96 2wtr s ILE 318 N 0.55 4.42 0.06 2.92 -1.09 -0.05 -4.93 121.20 123.06 2wtr s ILE 318 Ca -0.00 -0.93 -0.05 0.00 -2.23 0.00 0.00 60.65 57.44 2wtr s ILE 318 Cb -0.14 -3.48 -0.05 0.00 -1.58 0.00 0.00 42.46 37.21 2wtr s ILE 318 CO 0.02 -0.23 0.30 -0.69 -1.23 0.00 0.00 174.94 173.10 2wtr s VAL 319 N 1.52 5.27 0.20 2.92 1.01 -1.26 -0.65 120.40 129.41 2wtr s VAL 319 Ca 0.01 0.06 -0.20 0.00 0.00 0.00 0.00 61.98 61.85 2wtr s VAL 319 Cb -0.19 -3.60 0.04 0.00 0.00 0.00 0.00 36.38 32.63 2wtr s VAL 319 CO 0.06 0.24 0.58 -0.94 0.00 0.00 0.00 175.10 175.04 2wtr s SER 320 N -2.03 -0.35 0.03 3.32 1.04 -0.75 -1.73 113.70 113.22 2wtr s SER 320 Ca 0.33 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.41 2wtr s SER 320 Cb -0.13 0.61 -0.02 0.00 0.10 0.00 0.00 66.02 66.58 2wtr s SER 320 CO 0.20 -1.08 -0.05 -0.31 0.98 0.00 0.00 173.24 172.99 2wtr s TYR 321 N -3.84 0.43 -0.19 5.02 1.51 -1.26 -0.67 117.35 118.35 2wtr s TYR 321 Ca 0.07 -0.59 -0.10 0.00 -1.01 0.00 0.00 57.07 55.44 2wtr s TYR 321 Cb -0.02 -0.29 0.07 0.00 -0.11 0.00 0.00 41.96 41.61 2wtr s TYR 321 CO -0.04 -0.18 0.46 0.15 -1.11 0.00 0.00 175.55 174.83 2wtr s LYS 322 N -1.84 0.44 0.40 -0.62 1.02 -0.78 -3.26 119.74 115.08 2wtr s LYS 322 Ca -0.11 0.90 -0.23 0.00 0.02 0.00 0.00 55.97 56.55 2wtr s LYS 322 Cb -0.08 0.05 -0.10 0.00 -0.52 0.00 0.00 37.83 37.18 2wtr s LYS 322 CO -0.02 -0.17 0.96 0.08 -0.92 0.00 0.00 175.35 175.28 2wtr s VAL 323 N 1.59 4.28 -0.06 3.17 1.01 0.60 -1.75 120.40 129.24 2wtr s VAL 323 Ca -0.09 1.58 -0.01 0.00 0.00 0.00 0.00 61.98 63.46 2wtr s VAL 323 Cb -0.08 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.59 2wtr s VAL 323 CO -0.14 -0.15 0.01 -0.75 0.00 0.00 0.00 175.10 174.07 2wtr s LYS 324 N -2.78 0.42 -0.39 2.72 2.20 0.29 0.07 119.74 122.27 2wtr s LYS 324 Ca 0.58 0.15 -0.09 0.00 -0.36 0.00 0.00 55.97 56.25 2wtr s LYS 324 Cb -0.13 -0.78 0.06 0.00 -1.51 0.00 0.00 37.83 35.46 2wtr s LYS 324 CO 0.17 -0.27 0.21 0.08 -0.36 0.00 0.00 175.35 175.19 2wtr s VAL 325 N 1.80 4.17 -0.22 4.02 1.01 -1.03 -2.22 120.40 127.93 2wtr s VAL 325 Ca 0.02 -1.24 -0.09 0.00 0.00 0.00 0.00 61.98 60.66 2wtr s VAL 325 Cb -0.13 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2wtr s VAL 325 CO -0.04 -0.38 0.12 -0.75 0.00 0.00 0.00 175.10 174.05 2wtr s LYS 326 N 1.44 3.99 -0.41 2.72 2.20 0.09 -2.71 119.74 127.06 2wtr s LYS 326 Ca 0.02 -0.32 -0.16 0.00 -0.36 0.00 0.00 55.97 55.15 2wtr s LYS 326 Cb -0.21 -3.41 0.02 0.00 -1.51 0.00 0.00 37.83 32.72 2wtr s LYS 326 CO 0.03 0.10 0.34 -0.51 -0.36 0.00 0.00 175.35 174.95 2wtr s LEU 327 N 0.91 5.04 -0.59 5.43 1.43 0.24 -0.69 118.68 130.44 2wtr s LEU 327 Ca 0.06 -0.83 -0.27 0.00 -1.03 0.00 0.00 54.13 52.05 2wtr s LEU 327 Cb -0.13 -2.22 0.03 0.00 0.03 0.00 0.00 46.19 43.90 2wtr s LEU 327 CO 0.03 -0.49 1.15 -0.69 0.23 0.00 0.00 176.35 176.58 2wtr s VAL 328 N 1.81 4.06 0.11 -1.59 1.01 -0.86 -1.94 120.40 123.00 2wtr s VAL 328 Ca 0.07 0.72 -0.17 0.00 0.00 0.00 0.00 61.98 62.59 2wtr s VAL 328 Cb -0.18 -4.71 -0.07 0.00 0.00 0.00 0.00 36.38 31.42 2wtr s VAL 328 CO 0.11 -1.35 0.57 -0.69 0.00 0.00 0.00 175.10 173.74 2wtr s VAL 329 N 4.83 4.78 1.31 2.92 1.01 -0.44 -0.72 120.40 134.08 2wtr s VAL 329 Ca 0.39 1.07 -0.22 0.00 0.00 0.00 0.00 61.98 63.22 2wtr s VAL 329 Cb -0.09 -3.83 0.33 0.00 0.00 0.00 0.00 36.38 32.80 2wtr s VAL 329 CO 0.23 0.41 1.01 -1.54 0.00 0.00 0.00 175.10 175.21 2wtr n SER 330 N 1.31 -2.84 -3.63 3.32 3.41 -0.13 -0.99 113.62 114.06 2wtr n SER 330 Ca -0.08 -1.06 -0.30 0.00 -0.26 0.00 0.00 58.87 57.17 2wtr n SER 330 Cb 0.51 -1.00 0.29 0.00 -0.26 0.00 0.00 64.21 63.75 2wtr n SER 330 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2wtr n ARG 331 N -5.18 -4.17 -1.88 4.33 0.00 -1.26 -4.23 116.66 104.27 2wtr n ARG 331 Ca 0.15 -1.22 0.00 0.00 -0.00 0.00 0.00 57.85 56.77 2wtr n ARG 331 Cb 0.59 -1.99 0.00 0.00 -0.00 0.00 0.00 32.46 31.06 2wtr n ARG 331 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wtr n ALA 339 N -5.59 -1.56 -2.89 2.89 0.00 -1.26 -4.81 120.51 107.28 2wtr n ALA 339 Ca 0.10 0.28 -0.33 0.00 0.00 0.00 0.00 53.44 53.49 2wtr n ALA 339 Cb 0.58 -1.06 -0.13 0.00 0.00 0.00 0.00 19.45 18.84 2wtr n ALA 339 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2wtr s SER 340 N -0.31 4.54 0.66 0.00 1.04 -1.26 -5.04 113.70 113.34 2wtr s SER 340 Ca 0.00 -0.16 -0.03 0.00 0.48 0.00 0.00 55.95 56.24 2wtr s SER 340 Cb 0.00 -1.58 0.07 0.00 0.10 0.00 0.00 66.02 64.61 2wtr s SER 340 CO 0.00 0.21 0.94 -0.44 0.98 0.00 0.00 173.24 174.93 2wtr s SER 341 N 0.08 4.82 -0.01 7.02 0.01 -0.16 -4.90 113.70 120.56 2wtr s SER 341 Ca -0.02 0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.36 2wtr s SER 341 Cb -0.14 -0.77 0.00 0.00 0.21 0.00 0.00 66.02 65.32 2wtr s SER 341 CO 0.03 -1.53 -0.03 -1.81 0.41 0.00 0.00 173.24 170.31 2wtr s ASP 342 N -4.54 0.39 -0.04 2.44 1.01 -1.26 -1.33 116.67 113.34 2wtr s ASP 342 Ca 0.61 -0.06 -0.01 0.00 0.71 0.00 0.00 52.55 53.80 2wtr s ASP 342 Cb -0.09 -0.06 0.03 0.00 1.01 0.00 0.00 42.92 43.81 2wtr s ASP 342 CO 0.43 0.03 0.06 -0.69 0.21 0.00 0.00 175.17 175.20 2wtr s VAL 343 N 0.04 -0.10 0.27 -1.27 1.01 -0.82 -4.98 120.40 114.55 2wtr s VAL 343 Ca -0.00 0.34 -0.10 0.00 0.00 0.00 0.00 61.98 62.21 2wtr s VAL 343 Cb -0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 36.38 36.22 2wtr s VAL 343 CO -0.00 0.14 0.48 0.00 0.00 0.00 0.00 175.10 175.71 2wtr s ALA 344 N 1.72 0.00 0.21 5.51 0.00 -1.26 0.82 121.76 128.77 2wtr s ALA 344 Ca -0.01 -1.04 -0.07 0.00 0.00 0.00 0.00 51.96 50.84 2wtr s ALA 344 Cb -0.12 1.08 -0.02 0.00 0.00 0.00 0.00 23.12 24.06 2wtr s ALA 344 CO -0.03 -0.84 0.30 0.14 0.00 0.00 0.00 175.76 175.33 2wtr s VAL 345 N -3.74 0.01 -0.11 0.00 -7.23 -1.10 -4.81 120.40 103.43 2wtr s VAL 345 Ca 0.25 -1.66 -0.02 0.00 -1.81 0.00 0.00 61.98 58.73 2wtr s VAL 345 Cb -0.00 -2.27 0.04 0.00 0.56 0.00 0.00 36.38 34.70 2wtr s VAL 345 CO 0.12 -0.05 0.03 -1.61 -0.31 0.00 0.00 175.10 173.28 2wtr s GLU 346 N -4.07 0.39 -0.37 4.82 2.02 -1.26 -2.46 118.70 117.77 2wtr s GLU 346 Ca 0.29 0.03 -0.15 0.00 0.02 0.00 0.00 54.97 55.15 2wtr s GLU 346 Cb 0.03 -1.25 0.00 0.00 0.10 0.00 0.00 34.13 33.02 2wtr s GLU 346 CO 0.09 -0.44 0.35 -0.51 0.02 0.00 0.00 175.26 174.77 2wtr s LEU 347 N 2.02 4.69 0.48 1.80 1.43 0.11 -4.87 118.68 124.34 2wtr s LEU 347 Ca 0.03 -0.50 -0.22 0.00 -1.03 0.00 0.00 54.13 52.41 2wtr s LEU 347 Cb -0.14 -2.28 -0.07 0.00 0.03 0.00 0.00 46.19 43.73 2wtr s LEU 347 CO -0.06 -0.40 1.14 -2.84 0.23 0.00 0.00 176.35 174.42 2wtr s PRO 348 N 1.93 3.66 -0.01 1.29 0.02 -1.26 -0.29 135.00 140.34 2wtr s PRO 348 Ca 0.09 1.69 -0.28 0.00 0.02 0.00 0.00 61.00 62.52 2wtr s PRO 348 Cb -0.17 -2.28 0.08 0.00 0.02 0.00 0.00 34.50 32.15 2wtr s PRO 348 CO 0.12 -0.62 0.73 -0.59 -0.33 0.00 0.00 177.00 176.31 2wtr s PHE 349 N -1.64 -0.55 -0.20 6.54 -0.12 -1.20 -4.91 117.98 115.89 2wtr s PHE 349 Ca 0.66 0.73 -0.12 0.00 -0.05 0.00 0.00 56.93 58.15 2wtr s PHE 349 Cb -0.26 0.47 -0.05 0.00 -0.63 0.00 0.00 43.02 42.55 2wtr s PHE 349 CO 0.31 -0.62 0.21 0.99 -0.05 0.00 0.00 175.22 176.06 2wtr s THR 350 N -2.09 5.34 -0.51 -4.49 2.01 -0.19 -4.27 115.64 111.44 2wtr s THR 350 Ca -0.04 0.34 -0.15 0.00 0.31 0.00 0.00 61.69 62.15 2wtr s THR 350 Cb -0.00 -3.55 0.11 0.00 0.01 0.00 0.00 72.50 69.07 2wtr s THR 350 CO 0.00 0.37 0.44 -0.22 -0.69 0.00 0.00 174.62 174.53 2wtr s LEU 351 N 0.74 5.94 0.41 4.42 0.20 -1.26 -0.08 118.68 129.05 2wtr s LEU 351 Ca 0.11 -1.69 0.06 0.00 0.69 0.00 0.00 54.13 53.30 2wtr s LEU 351 Cb -0.13 -2.17 0.00 0.00 -0.43 0.00 0.00 46.19 43.47 2wtr s LEU 351 CO 0.03 -0.77 0.56 -0.04 -0.29 0.00 0.00 176.35 175.84 2wtr s MET 352 N 1.57 2.93 0.28 1.98 -1.94 0.14 -1.16 119.30 123.10 2wtr s MET 352 Ca 0.04 -1.03 -0.28 0.00 -1.71 0.00 0.00 55.69 52.70 2wtr s MET 352 Cb -0.28 -2.73 -0.09 0.00 2.01 0.00 0.00 34.83 33.73 2wtr s MET 352 CO 0.03 -0.20 0.95 -1.58 -0.01 0.00 0.00 175.02 174.21 2wtr s HIS 353 N -2.35 3.82 1.13 -0.03 2.46 -1.02 -2.87 115.29 116.43 2wtr s HIS 353 Ca 0.51 1.84 -0.16 0.00 0.47 0.00 0.00 55.06 57.72 2wtr s HIS 353 Cb -0.10 -2.96 0.16 0.00 -0.13 0.00 0.00 32.58 29.56 2wtr s HIS 353 CO 0.33 0.30 0.36 -2.30 -2.47 0.00 0.00 174.74 170.97 2wtr n PRO 354 N 1.00 -1.82 -1.87 2.88 -0.02 -1.26 -4.71 135.00 129.19 2wtr n PRO 354 Ca 0.00 -0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 60.55 2wtr n PRO 354 Cb 0.49 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 2wtr n PRO 354 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2wtr s LYS 355 N -3.77 4.18 -0.38 -0.52 2.20 -1.26 -4.83 119.74 115.36 2wtr s LYS 355 Ca 0.60 2.45 -0.32 0.00 -0.36 0.00 0.00 55.97 58.34 2wtr s LYS 355 Cb -0.17 -3.10 -0.10 0.00 -1.51 0.00 0.00 37.83 32.95 2wtr s LYS 355 CO 0.66 -0.61 2.27 -2.30 -0.36 0.00 0.00 175.35 175.01 2wtr n PRO 356 N 3.29 1.20 -0.14 4.03 -0.02 -1.26 -4.57 135.00 137.53 2wtr n PRO 356 Ca 0.12 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2wtr n PRO 356 Cb 0.38 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 2wtr n PRO 356 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wtr n LYS 357 N 8.48 0.00 -2.60 -0.52 5.02 -1.26 -4.85 118.16 122.43 2wtr n LYS 357 Ca 0.40 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.55 2wtr n LYS 357 Cb 0.32 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.34 2wtr n LYS 357 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2wtr n GLU 358 N 0.84 -0.77 -1.74 1.97 1.02 -1.26 -4.96 120.64 115.75 2wtr n GLU 358 Ca 0.00 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 2wtr n GLU 358 Cb 0.00 -1.05 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 2wtr n GLU 358 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2wtr n GLU 359 N 0.47 -3.83 0.00 3.49 1.02 -1.26 -4.84 120.64 115.69 2wtr n GLU 359 Ca -0.03 2.89 0.00 0.00 -0.02 0.00 0.00 57.16 60.00 2wtr n GLU 359 Cb 0.42 -3.18 0.00 0.00 -0.02 0.00 0.00 31.44 28.66 2wtr n GLU 359 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2wtr n PRO 360 N 1.32 0.00 0.00 3.49 -0.02 -1.26 -4.97 135.00 133.56 2wtr n PRO 360 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2wtr n PRO 360 Cb 0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 33.50 33.36 2wtr n PRO 360 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wtr n LEU 379 N 0.00 0.00 0.00 2.45 4.77 -1.26 -5.06 117.00 117.90 2wtr n LEU 379 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2wtr n LEU 379 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2wtr n LEU 379 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.53 2wtr n ASP 380 N 0.00 0.00 0.00 -1.43 8.00 -1.26 -5.19 116.55 116.67 2wtr n ASP 380 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2wtr n ASP 380 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2wtr n ASP 380 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2wtr n THR 381 N 0.00 0.00 -1.26 -3.53 -2.24 -1.26 -5.12 114.28 100.87 2wtr n THR 381 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2wtr n THR 381 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2wtr n THR 381 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wtr n ASN 382 N 0.00 -6.33 -0.07 3.42 3.02 -1.26 -5.05 115.26 108.99 2wtr n ASN 382 Ca 0.00 0.81 0.00 0.00 -0.03 0.00 0.00 54.58 55.36 2wtr n ASN 382 Cb 0.00 -2.98 0.00 0.00 -0.61 0.00 0.00 39.78 36.19 2wtr n ASN 382 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2wtr n ASP 383 N 0.56 0.00 -2.02 6.41 5.75 -1.26 -5.12 116.55 120.87 2wtr n ASP 383 Ca 0.00 -0.42 0.00 0.00 -0.01 0.00 0.00 54.79 54.36 2wtr n ASP 383 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2wtr n ASP 383 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2wtr n ASP 384 N 0.00 -1.76 -0.31 -1.12 5.75 -1.26 -5.05 116.55 112.80 2wtr n ASP 384 Ca 0.00 1.16 0.00 0.00 -0.01 0.00 0.00 54.79 55.94 2wtr n ASP 384 Cb 0.21 -2.19 0.00 0.00 -1.03 0.00 0.00 41.12 38.11 2wtr n ASP 384 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2wtr n ASP 385 N 1.94 0.00 -3.48 -1.12 5.75 -1.26 -5.15 116.55 113.23 2wtr n ASP 385 Ca 0.00 -0.31 -0.15 0.00 -0.01 0.00 0.00 54.79 54.32 2wtr n ASP 385 Cb 0.00 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 39.97 2wtr n ASP 385 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 2wtr s ILE 386 N -2.45 -0.41 -0.09 2.12 2.07 -1.26 -4.38 121.20 116.79 2wtr s ILE 386 Ca 0.00 -0.05 -0.30 0.00 -1.41 0.00 0.00 60.65 58.90 2wtr s ILE 386 Cb 0.00 -0.68 -0.03 0.00 0.13 0.00 0.00 42.46 41.88 2wtr s ILE 386 CO 0.00 -0.14 1.27 -0.69 -1.91 0.00 0.00 174.94 173.47 2wtr s VAL 387 N 2.40 4.17 0.61 4.00 1.01 -0.38 -4.91 120.40 127.29 2wtr s VAL 387 Ca 0.08 1.47 -0.07 0.00 0.00 0.00 0.00 61.98 63.46 2wtr s VAL 387 Cb -0.15 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.29 2wtr s VAL 387 CO -0.13 -0.06 0.93 -0.36 0.00 0.00 0.00 175.10 175.49 2wtr s PHE 388 N 2.84 3.23 -0.19 5.22 0.08 -1.26 -1.53 117.98 126.37 2wtr s PHE 388 Ca 0.57 0.67 -0.28 0.00 0.12 0.00 0.00 56.93 58.01 2wtr s PHE 388 Cb -0.25 -2.81 0.11 0.00 -0.57 0.00 0.00 43.02 39.51 2wtr s PHE 388 CO 0.20 -0.91 0.94 -2.00 -0.10 0.00 0.00 175.22 173.35 2wtr s GLU 389 N -5.05 0.65 0.38 0.44 2.12 -0.60 -4.83 118.70 111.81 2wtr s GLU 389 Ca 0.55 0.38 -0.28 0.00 0.36 0.00 0.00 54.97 55.98 2wtr s GLU 389 Cb -0.11 0.31 -0.11 0.00 0.26 0.00 0.00 34.13 34.49 2wtr s GLU 389 CO 0.46 -0.16 1.47 -0.51 -0.54 0.00 0.00 175.26 175.97 2wtr s ASP 390 N -0.57 6.33 0.20 -1.70 1.01 -1.26 -2.25 116.67 118.42 2wtr s ASP 390 Ca -0.01 3.01 -0.06 0.00 0.71 0.00 0.00 52.55 56.19 2wtr s ASP 390 Cb -0.02 -2.67 0.13 0.00 1.01 0.00 0.00 42.92 41.38 2wtr s ASP 390 CO 0.00 -0.88 1.62 0.15 0.21 0.00 0.00 175.17 176.27 2wtr h PHE 391 N 2.96 0.98 -2.95 4.23 3.57 -1.82 -3.44 116.94 120.46 2wtr h PHE 391 Ca -0.51 -0.22 -0.52 0.00 3.53 0.00 0.00 57.97 60.25 2wtr h PHE 391 Cb 1.24 -0.24 0.07 0.00 2.79 0.00 0.00 35.95 39.81 2wtr h PHE 391 CO 0.53 0.98 0.95 0.00 -2.23 0.00 0.00 178.31 178.54 2wtr s ALA 392 N -4.68 3.84 0.32 2.41 0.00 -1.26 -4.99 121.76 117.40 2wtr s ALA 392 Ca -0.10 1.56 0.06 0.00 0.00 0.00 0.00 51.96 53.48 2wtr s ALA 392 Cb 0.13 -3.67 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 2wtr s ALA 392 CO 0.85 -0.93 0.46 -0.98 0.00 0.00 0.00 175.76 175.16 2wtr s ARG 393 N 0.49 3.17 0.00 0.00 1.70 -1.26 -5.12 118.95 117.92 2wtr s ARG 393 Ca 0.70 -0.96 0.00 0.00 -0.47 0.00 0.00 55.73 55.00 2wtr s ARG 393 Cb -0.48 -2.82 0.00 0.00 -0.57 0.00 0.00 34.95 31.07 2wtr s ARG 393 CO 0.38 0.11 0.00 0.00 -1.08 0.00 0.00 175.30 174.71 2wtr n GLN 394 N -1.62 0.00 -0.90 3.89 10.64 -1.26 -4.93 117.38 123.19 2wtr n GLN 394 Ca -0.01 0.00 -0.04 0.00 -1.83 0.00 0.00 57.00 55.12 2wtr n GLN 394 Cb 0.58 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.93 2wtr n GLN 394 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 2wtr n ARG 395 N -0.17 0.06 0.00 2.61 0.63 -1.26 -4.62 116.66 113.91 2wtr n ARG 395 Ca 0.00 -0.61 0.00 0.00 -0.92 0.00 0.00 57.85 56.32 2wtr n ARG 395 Cb 0.00 0.48 0.00 0.00 0.45 0.00 0.00 32.46 33.39 2wtr n ARG 395 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2wtr n LEU 396 N -0.07 0.00 0.00 6.15 4.77 -1.24 -4.69 117.00 121.91 2wtr n LEU 396 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2wtr n LEU 396 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2wtr n LEU 396 CO -0.09 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.26 2wtr n LYS 397 N 0.00 0.00 -3.05 3.23 5.02 -1.26 -4.87 118.16 117.23 2wtr n LYS 397 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wtr n LYS 397 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wtr n LYS 397 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wtr n GLY 398 N 0.00 -0.92 3.32 0.72 0.00 -1.26 -4.97 105.19 102.08 2wtr n GLY 398 Ca 0.00 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 2wtr n GLY 398 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wtr s MET 399 N -0.10 1.52 0.00 1.61 -1.94 -1.26 -5.22 119.30 113.91 2wtr s MET 399 Ca 0.00 -1.85 0.14 0.00 -1.71 0.00 0.00 55.69 52.27 2wtr s MET 399 Cb 0.00 -0.09 0.86 0.00 2.01 0.00 0.00 34.83 37.62 2wtr s MET 399 CO 0.00 -0.42 1.28 1.63 -0.01 0.00 0.00 175.02 177.50